----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:19:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.239123880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.752808120000002 0.000000000000000 c 0.000000000000000 0.000000000000000 4.325587320000000 Atomic positions (fractional): *1 F 0.16553491434515 0.43751951420787 0.37704320414329 18.998 2 F 0.33446508565485 0.56248048579213 0.87704320414329 18.998 3 F 0.66553491434515 0.06248048579213 0.12295679585671 18.998 4 F 0.83446508565485 0.93751951420787 0.62295679585671 18.998 *5 F 0.52306999809224 0.25000000000000 0.59012161308893 18.998 6 F 0.97693000190776 0.75000000000000 0.09012161308893 18.998 7 F 0.02306999809224 0.25000000000000 0.90987838691107 18.998 8 F 0.47693000190776 0.75000000000000 0.40987838691107 18.998 9 F 0.16553491434515 0.06248048579213 0.37704320414329 18.998 10 F 0.33446508565485 0.93751951420787 0.87704320414329 18.998 11 F 0.66553491434515 0.43751951420787 0.12295679585671 18.998 12 F 0.83446508565485 0.56248048579213 0.62295679585671 18.998 *13 Er 0.63030864891325 0.75000000000000 0.93772720503383 167.259 14 Er 0.86969135108675 0.25000000000000 0.43772720503383 167.259 15 Er 0.13030864891325 0.75000000000000 0.56227279496617 167.259 16 Er 0.36969135108675 0.25000000000000 0.06227279496617 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.239123880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.752808120000002 0.000000000000000 c 0.000000000000000 0.000000000000000 4.325587320000000 Atomic positions (fractional): *1 F 0.16553491434515 0.43751951420787 0.37704320414329 18.998 > 1 2 F 0.33446508565485 0.56248048579213 0.87704320414329 18.998 > 2 3 F 0.66553491434515 0.06248048579213 0.12295679585671 18.998 > 3 4 F 0.83446508565485 0.93751951420787 0.62295679585671 18.998 > 4 *5 F 0.52306999809224 0.25000000000000 0.59012161308893 18.998 > 5 6 F 0.97693000190776 0.75000000000000 0.09012161308893 18.998 > 6 7 F 0.02306999809224 0.25000000000000 0.90987838691107 18.998 > 7 8 F 0.47693000190776 0.75000000000000 0.40987838691107 18.998 > 8 9 F 0.16553491434515 0.06248048579213 0.37704320414329 18.998 > 9 10 F 0.33446508565485 0.93751951420787 0.87704320414329 18.998 > 10 11 F 0.66553491434515 0.43751951420787 0.12295679585671 18.998 > 11 12 F 0.83446508565485 0.56248048579213 0.62295679585671 18.998 > 12 *13 Er 0.63030864891325 0.75000000000000 0.93772720503383 167.259 > 13 14 Er 0.86969135108675 0.25000000000000 0.43772720503383 167.259 > 14 15 Er 0.13030864891325 0.75000000000000 0.56227279496617 167.259 > 15 16 Er 0.36969135108675 0.25000000000000 0.06227279496617 167.259 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.478247760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.505616240000004 0.000000000000000 c 0.000000000000000 0.000000000000000 8.651174640000001 Atomic positions (fractional): *1 F 0.08276745717257 0.21875975710393 0.18852160207164 18.998 > 1 2 F 0.58276745717257 0.21875975710393 0.18852160207164 18.998 > 1 3 F 0.08276745717257 0.71875975710393 0.18852160207164 18.998 > 1 4 F 0.58276745717257 0.71875975710393 0.18852160207164 18.998 > 1 5 F 0.08276745717257 0.21875975710393 0.68852160207164 18.998 > 1 6 F 0.58276745717257 0.21875975710393 0.68852160207164 18.998 > 1 7 F 0.08276745717257 0.71875975710393 0.68852160207164 18.998 > 1 8 F 0.58276745717257 0.71875975710393 0.68852160207164 18.998 > 1 9 F 0.16723254282743 0.28124024289607 0.43852160207164 18.998 > 2 10 F 0.66723254282743 0.28124024289607 0.43852160207164 18.998 > 2 11 F 0.16723254282743 0.78124024289607 0.43852160207164 18.998 > 2 12 F 0.66723254282743 0.78124024289607 0.43852160207164 18.998 > 2 13 F 0.16723254282743 0.28124024289607 0.93852160207164 18.998 > 2 14 F 0.66723254282743 0.28124024289607 0.93852160207164 18.998 > 2 15 F 0.16723254282743 0.78124024289607 0.93852160207164 18.998 > 2 16 F 0.66723254282743 0.78124024289607 0.93852160207164 18.998 > 2 17 F 0.33276745717257 0.03124024289607 0.06147839792836 18.998 > 3 18 F 0.83276745717257 0.03124024289607 0.06147839792836 18.998 > 3 19 F 0.33276745717257 0.53124024289607 0.06147839792836 18.998 > 3 20 F 0.83276745717257 0.53124024289607 0.06147839792836 18.998 > 3 21 F 0.33276745717257 0.03124024289607 0.56147839792836 18.998 > 3 22 F 0.83276745717257 0.03124024289607 0.56147839792836 18.998 > 3 23 F 0.33276745717257 0.53124024289607 0.56147839792836 18.998 > 3 24 F 0.83276745717257 0.53124024289607 0.56147839792836 18.998 > 3 25 F 0.41723254282743 0.46875975710393 0.31147839792836 18.998 > 4 26 F 0.91723254282743 0.46875975710393 0.31147839792836 18.998 > 4 27 F 0.41723254282743 0.96875975710393 0.31147839792836 18.998 > 4 28 F 0.91723254282743 0.96875975710393 0.31147839792836 18.998 > 4 29 F 0.41723254282743 0.46875975710393 0.81147839792836 18.998 > 4 30 F 0.91723254282743 0.46875975710393 0.81147839792836 18.998 > 4 31 F 0.41723254282743 0.96875975710393 0.81147839792836 18.998 > 4 32 F 0.91723254282743 0.96875975710393 0.81147839792836 18.998 > 4 *33 F 0.26153499904612 0.12500000000000 0.29506080654447 18.998 > 5 34 F 0.76153499904612 0.12500000000000 0.29506080654447 18.998 > 5 35 F 0.26153499904612 0.62500000000000 0.29506080654447 18.998 > 5 36 F 0.76153499904612 0.62500000000000 0.29506080654447 18.998 > 5 37 F 0.26153499904612 0.12500000000000 0.79506080654447 18.998 > 5 38 F 0.76153499904612 0.12500000000000 0.79506080654447 18.998 > 5 39 F 0.26153499904612 0.62500000000000 0.79506080654447 18.998 > 5 40 F 0.76153499904612 0.62500000000000 0.79506080654447 18.998 > 5 41 F 0.48846500095388 0.37500000000000 0.04506080654447 18.998 > 6 42 F 0.98846500095388 0.37500000000000 0.04506080654447 18.998 > 6 43 F 0.48846500095388 0.87500000000000 0.04506080654447 18.998 > 6 44 F 0.98846500095388 0.87500000000000 0.04506080654447 18.998 > 6 45 F 0.48846500095388 0.37500000000000 0.54506080654447 18.998 > 6 46 F 0.98846500095388 0.37500000000000 0.54506080654447 18.998 > 6 47 F 0.48846500095388 0.87500000000000 0.54506080654447 18.998 > 6 48 F 0.98846500095388 0.87500000000000 0.54506080654447 18.998 > 6 49 F 0.01153499904612 0.12500000000000 0.45493919345553 18.998 > 7 50 F 0.51153499904612 0.12500000000000 0.45493919345553 18.998 > 7 51 F 0.01153499904612 0.62500000000000 0.45493919345553 18.998 > 7 52 F 0.51153499904612 0.62500000000000 0.45493919345553 18.998 > 7 53 F 0.01153499904612 0.12500000000000 0.95493919345553 18.998 > 7 54 F 0.51153499904612 0.12500000000000 0.95493919345553 18.998 > 7 55 F 0.01153499904612 0.62500000000000 0.95493919345553 18.998 > 7 56 F 0.51153499904612 0.62500000000000 0.95493919345553 18.998 > 7 57 F 0.23846500095388 0.37500000000000 0.20493919345553 18.998 > 8 58 F 0.73846500095388 0.37500000000000 0.20493919345553 18.998 > 8 59 F 0.23846500095388 0.87500000000000 0.20493919345553 18.998 > 8 60 F 0.73846500095388 0.87500000000000 0.20493919345553 18.998 > 8 61 F 0.23846500095388 0.37500000000000 0.70493919345553 18.998 > 8 62 F 0.73846500095388 0.37500000000000 0.70493919345553 18.998 > 8 63 F 0.23846500095388 0.87500000000000 0.70493919345553 18.998 > 8 64 F 0.73846500095388 0.87500000000000 0.70493919345553 18.998 > 8 65 F 0.08276745717257 0.03124024289607 0.18852160207164 18.998 > 9 66 F 0.58276745717257 0.03124024289607 0.18852160207164 18.998 > 9 67 F 0.08276745717257 0.53124024289607 0.18852160207164 18.998 > 9 68 F 0.58276745717257 0.53124024289607 0.18852160207164 18.998 > 9 69 F 0.08276745717257 0.03124024289607 0.68852160207164 18.998 > 9 70 F 0.58276745717257 0.03124024289607 0.68852160207164 18.998 > 9 71 F 0.08276745717257 0.53124024289607 0.68852160207164 18.998 > 9 72 F 0.58276745717257 0.53124024289607 0.68852160207164 18.998 > 9 73 F 0.16723254282743 0.46875975710393 0.43852160207164 18.998 > 10 74 F 0.66723254282743 0.46875975710393 0.43852160207164 18.998 > 10 75 F 0.16723254282743 0.96875975710393 0.43852160207164 18.998 > 10 76 F 0.66723254282743 0.96875975710393 0.43852160207164 18.998 > 10 77 F 0.16723254282743 0.46875975710393 0.93852160207164 18.998 > 10 78 F 0.66723254282743 0.46875975710393 0.93852160207164 18.998 > 10 79 F 0.16723254282743 0.96875975710393 0.93852160207164 18.998 > 10 80 F 0.66723254282743 0.96875975710393 0.93852160207164 18.998 > 10 81 F 0.33276745717257 0.21875975710393 0.06147839792836 18.998 > 11 82 F 0.83276745717257 0.21875975710393 0.06147839792836 18.998 > 11 83 F 0.33276745717257 0.71875975710393 0.06147839792836 18.998 > 11 84 F 0.83276745717257 0.71875975710393 0.06147839792836 18.998 > 11 85 F 0.33276745717257 0.21875975710393 0.56147839792836 18.998 > 11 86 F 0.83276745717257 0.21875975710393 0.56147839792836 18.998 > 11 87 F 0.33276745717257 0.71875975710393 0.56147839792836 18.998 > 11 88 F 0.83276745717257 0.71875975710393 0.56147839792836 18.998 > 11 89 F 0.41723254282743 0.28124024289607 0.31147839792836 18.998 > 12 90 F 0.91723254282743 0.28124024289607 0.31147839792836 18.998 > 12 91 F 0.41723254282743 0.78124024289607 0.31147839792836 18.998 > 12 92 F 0.91723254282743 0.78124024289607 0.31147839792836 18.998 > 12 93 F 0.41723254282743 0.28124024289607 0.81147839792836 18.998 > 12 94 F 0.91723254282743 0.28124024289607 0.81147839792836 18.998 > 12 95 F 0.41723254282743 0.78124024289607 0.81147839792836 18.998 > 12 96 F 0.91723254282743 0.78124024289607 0.81147839792836 18.998 > 12 *97 Er 0.31515432445662 0.37500000000000 0.46886360251692 167.259 > 13 98 Er 0.81515432445662 0.37500000000000 0.46886360251692 167.259 > 13 99 Er 0.31515432445662 0.87500000000000 0.46886360251692 167.259 > 13 100 Er 0.81515432445662 0.87500000000000 0.46886360251692 167.259 > 13 101 Er 0.31515432445662 0.37500000000000 0.96886360251692 167.259 > 13 102 Er 0.81515432445662 0.37500000000000 0.96886360251692 167.259 > 13 103 Er 0.31515432445662 0.87500000000000 0.96886360251692 167.259 > 13 104 Er 0.81515432445662 0.87500000000000 0.96886360251692 167.259 > 13 105 Er 0.43484567554338 0.12500000000000 0.21886360251692 167.259 > 14 106 Er 0.93484567554338 0.12500000000000 0.21886360251692 167.259 > 14 107 Er 0.43484567554338 0.62500000000000 0.21886360251692 167.259 > 14 108 Er 0.93484567554338 0.62500000000000 0.21886360251692 167.259 > 14 109 Er 0.43484567554338 0.12500000000000 0.71886360251692 167.259 > 14 110 Er 0.93484567554338 0.12500000000000 0.71886360251692 167.259 > 14 111 Er 0.43484567554338 0.62500000000000 0.71886360251692 167.259 > 14 112 Er 0.93484567554338 0.62500000000000 0.71886360251692 167.259 > 14 113 Er 0.06515432445662 0.37500000000000 0.28113639748308 167.259 > 15 114 Er 0.56515432445662 0.37500000000000 0.28113639748308 167.259 > 15 115 Er 0.06515432445662 0.87500000000000 0.28113639748308 167.259 > 15 116 Er 0.56515432445662 0.87500000000000 0.28113639748308 167.259 > 15 117 Er 0.06515432445662 0.37500000000000 0.78113639748308 167.259 > 15 118 Er 0.56515432445662 0.37500000000000 0.78113639748308 167.259 > 15 119 Er 0.06515432445662 0.87500000000000 0.78113639748308 167.259 > 15 120 Er 0.56515432445662 0.87500000000000 0.78113639748308 167.259 > 15 121 Er 0.18484567554338 0.12500000000000 0.03113639748308 167.259 > 16 122 Er 0.68484567554338 0.12500000000000 0.03113639748308 167.259 > 16 123 Er 0.18484567554338 0.62500000000000 0.03113639748308 167.259 > 16 124 Er 0.68484567554338 0.62500000000000 0.03113639748308 167.259 > 16 125 Er 0.18484567554338 0.12500000000000 0.53113639748308 167.259 > 16 126 Er 0.68484567554338 0.12500000000000 0.53113639748308 167.259 > 16 127 Er 0.18484567554338 0.62500000000000 0.53113639748308 167.259 > 16 128 Er 0.68484567554338 0.62500000000000 0.53113639748308 167.259 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8051394 0.0000000 0.0000000 0.0000000 2.7316999 0.0000000 0.0000000 0.0000000 2.6678748 -------------------------- Born effective charges -------------------------- 1 F -1.2617846 -0.0238878 0.2473108 -0.0182436 -1.5554444 -0.3302614 0.2772536 -0.3347518 -1.0054270 2 F -1.2617846 -0.0238878 -0.2473108 -0.0182436 -1.5554444 0.3302614 -0.2772536 0.3347518 -1.0054270 3 F -1.2617846 0.0238878 -0.2473108 0.0182436 -1.5554444 -0.3302614 -0.2772536 -0.3347518 -1.0054270 4 F -1.2617846 0.0238878 0.2473108 0.0182436 -1.5554444 0.3302614 0.2772536 0.3347518 -1.0054270 5 F -1.4409802 0.0000000 0.2557317 0.0000000 -0.7272734 0.0000000 0.2748579 0.0000000 -1.6208728 6 F -1.4409802 0.0000000 -0.2557317 0.0000000 -0.7272734 0.0000000 -0.2748579 0.0000000 -1.6208728 7 F -1.4409802 0.0000000 -0.2557317 0.0000000 -0.7272734 0.0000000 -0.2748579 0.0000000 -1.6208728 8 F -1.4409802 0.0000000 0.2557317 0.0000000 -0.7272734 0.0000000 0.2748579 0.0000000 -1.6208728 9 F -1.2617846 0.0238878 0.2473108 0.0182436 -1.5554444 0.3302614 0.2772536 0.3347518 -1.0054270 10 F -1.2617846 0.0238878 -0.2473108 0.0182436 -1.5554444 -0.3302614 -0.2772536 -0.3347518 -1.0054270 11 F -1.2617846 -0.0238878 -0.2473108 -0.0182436 -1.5554444 0.3302614 -0.2772536 0.3347518 -1.0054270 12 F -1.2617846 -0.0238878 0.2473108 -0.0182436 -1.5554444 -0.3302614 0.2772536 -0.3347518 -1.0054270 13 Er 3.9645495 0.0000000 -0.2603998 0.0000000 3.8381623 0.0000000 -0.1325645 0.0000000 3.6317268 14 Er 3.9645495 0.0000000 0.2603998 0.0000000 3.8381623 0.0000000 0.1325645 0.0000000 3.6317268 15 Er 3.9645495 0.0000000 0.2603998 0.0000000 3.8381623 0.0000000 0.1325645 0.0000000 3.6317268 16 Er 3.9645495 0.0000000 -0.2603998 0.0000000 3.8381623 0.0000000 -0.1325645 0.0000000 3.6317268 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1240 Number of blocks in projector: 1240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1240, 1221), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 1.781 Solver_block: 200 / 240 - Time: 1.781 Solver_block: 240 / 240 - Time: 0.789 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.495 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1240 Number of blocks in projector: 1240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1240, 1221), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:19:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:19:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.239123880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.752808120000002 0.000000000000000 c 0.000000000000000 0.000000000000000 4.325587320000000 Atomic positions (fractional): 1 F 0.16553491434515 0.43751951420787 0.37704320414329 18.998 2 F 0.33446508565485 0.56248048579213 0.87704320414329 18.998 3 F 0.66553491434515 0.06248048579213 0.12295679585671 18.998 4 F 0.83446508565485 0.93751951420787 0.62295679585671 18.998 5 F 0.52306999809224 0.25000000000000 0.59012161308893 18.998 6 F 0.97693000190776 0.75000000000000 0.09012161308893 18.998 7 F 0.02306999809224 0.25000000000000 0.90987838691107 18.998 8 F 0.47693000190776 0.75000000000000 0.40987838691107 18.998 9 F 0.16553491434515 0.06248048579213 0.37704320414329 18.998 10 F 0.33446508565485 0.93751951420787 0.87704320414329 18.998 11 F 0.66553491434515 0.43751951420787 0.12295679585671 18.998 12 F 0.83446508565485 0.56248048579213 0.62295679585671 18.998 13 Er 0.63030864891325 0.75000000000000 0.93772720503383 167.259 14 Er 0.86969135108675 0.25000000000000 0.43772720503383 167.259 15 Er 0.13030864891325 0.75000000000000 0.56227279496617 167.259 16 Er 0.36969135108675 0.25000000000000 0.06227279496617 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.478247760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.505616240000004 0.000000000000000 c 0.000000000000000 0.000000000000000 8.651174640000001 Atomic positions (fractional): 1 F 0.08276745717257 0.21875975710393 0.18852160207164 18.998 > 1 2 F 0.58276745717257 0.21875975710393 0.18852160207164 18.998 > 1 3 F 0.08276745717257 0.71875975710393 0.18852160207164 18.998 > 1 4 F 0.58276745717257 0.71875975710393 0.18852160207164 18.998 > 1 5 F 0.08276745717257 0.21875975710393 0.68852160207164 18.998 > 1 6 F 0.58276745717257 0.21875975710393 0.68852160207164 18.998 > 1 7 F 0.08276745717257 0.71875975710393 0.68852160207164 18.998 > 1 8 F 0.58276745717257 0.71875975710393 0.68852160207164 18.998 > 1 9 F 0.16723254282743 0.28124024289607 0.43852160207164 18.998 > 9 10 F 0.66723254282743 0.28124024289607 0.43852160207164 18.998 > 9 11 F 0.16723254282743 0.78124024289607 0.43852160207164 18.998 > 9 12 F 0.66723254282743 0.78124024289607 0.43852160207164 18.998 > 9 13 F 0.16723254282743 0.28124024289607 0.93852160207164 18.998 > 9 14 F 0.66723254282743 0.28124024289607 0.93852160207164 18.998 > 9 15 F 0.16723254282743 0.78124024289607 0.93852160207164 18.998 > 9 16 F 0.66723254282743 0.78124024289607 0.93852160207164 18.998 > 9 17 F 0.33276745717257 0.03124024289607 0.06147839792836 18.998 > 17 18 F 0.83276745717257 0.03124024289607 0.06147839792836 18.998 > 17 19 F 0.33276745717257 0.53124024289607 0.06147839792836 18.998 > 17 20 F 0.83276745717257 0.53124024289607 0.06147839792836 18.998 > 17 21 F 0.33276745717257 0.03124024289607 0.56147839792836 18.998 > 17 22 F 0.83276745717257 0.03124024289607 0.56147839792836 18.998 > 17 23 F 0.33276745717257 0.53124024289607 0.56147839792836 18.998 > 17 24 F 0.83276745717257 0.53124024289607 0.56147839792836 18.998 > 17 25 F 0.41723254282743 0.46875975710393 0.31147839792836 18.998 > 25 26 F 0.91723254282743 0.46875975710393 0.31147839792836 18.998 > 25 27 F 0.41723254282743 0.96875975710393 0.31147839792836 18.998 > 25 28 F 0.91723254282743 0.96875975710393 0.31147839792836 18.998 > 25 29 F 0.41723254282743 0.46875975710393 0.81147839792836 18.998 > 25 30 F 0.91723254282743 0.46875975710393 0.81147839792836 18.998 > 25 31 F 0.41723254282743 0.96875975710393 0.81147839792836 18.998 > 25 32 F 0.91723254282743 0.96875975710393 0.81147839792836 18.998 > 25 33 F 0.26153499904612 0.12500000000000 0.29506080654447 18.998 > 33 34 F 0.76153499904612 0.12500000000000 0.29506080654447 18.998 > 33 35 F 0.26153499904612 0.62500000000000 0.29506080654447 18.998 > 33 36 F 0.76153499904612 0.62500000000000 0.29506080654447 18.998 > 33 37 F 0.26153499904612 0.12500000000000 0.79506080654447 18.998 > 33 38 F 0.76153499904612 0.12500000000000 0.79506080654447 18.998 > 33 39 F 0.26153499904612 0.62500000000000 0.79506080654447 18.998 > 33 40 F 0.76153499904612 0.62500000000000 0.79506080654447 18.998 > 33 41 F 0.48846500095388 0.37500000000000 0.04506080654447 18.998 > 41 42 F 0.98846500095388 0.37500000000000 0.04506080654447 18.998 > 41 43 F 0.48846500095388 0.87500000000000 0.04506080654447 18.998 > 41 44 F 0.98846500095388 0.87500000000000 0.04506080654447 18.998 > 41 45 F 0.48846500095388 0.37500000000000 0.54506080654447 18.998 > 41 46 F 0.98846500095388 0.37500000000000 0.54506080654447 18.998 > 41 47 F 0.48846500095388 0.87500000000000 0.54506080654447 18.998 > 41 48 F 0.98846500095388 0.87500000000000 0.54506080654447 18.998 > 41 49 F 0.01153499904612 0.12500000000000 0.45493919345553 18.998 > 49 50 F 0.51153499904612 0.12500000000000 0.45493919345553 18.998 > 49 51 F 0.01153499904612 0.62500000000000 0.45493919345553 18.998 > 49 52 F 0.51153499904612 0.62500000000000 0.45493919345553 18.998 > 49 53 F 0.01153499904612 0.12500000000000 0.95493919345553 18.998 > 49 54 F 0.51153499904612 0.12500000000000 0.95493919345553 18.998 > 49 55 F 0.01153499904612 0.62500000000000 0.95493919345553 18.998 > 49 56 F 0.51153499904612 0.62500000000000 0.95493919345553 18.998 > 49 57 F 0.23846500095388 0.37500000000000 0.20493919345553 18.998 > 57 58 F 0.73846500095388 0.37500000000000 0.20493919345553 18.998 > 57 59 F 0.23846500095388 0.87500000000000 0.20493919345553 18.998 > 57 60 F 0.73846500095388 0.87500000000000 0.20493919345553 18.998 > 57 61 F 0.23846500095388 0.37500000000000 0.70493919345553 18.998 > 57 62 F 0.73846500095388 0.37500000000000 0.70493919345553 18.998 > 57 63 F 0.23846500095388 0.87500000000000 0.70493919345553 18.998 > 57 64 F 0.73846500095388 0.87500000000000 0.70493919345553 18.998 > 57 65 F 0.08276745717257 0.03124024289607 0.18852160207164 18.998 > 65 66 F 0.58276745717257 0.03124024289607 0.18852160207164 18.998 > 65 67 F 0.08276745717257 0.53124024289607 0.18852160207164 18.998 > 65 68 F 0.58276745717257 0.53124024289607 0.18852160207164 18.998 > 65 69 F 0.08276745717257 0.03124024289607 0.68852160207164 18.998 > 65 70 F 0.58276745717257 0.03124024289607 0.68852160207164 18.998 > 65 71 F 0.08276745717257 0.53124024289607 0.68852160207164 18.998 > 65 72 F 0.58276745717257 0.53124024289607 0.68852160207164 18.998 > 65 73 F 0.16723254282743 0.46875975710393 0.43852160207164 18.998 > 73 74 F 0.66723254282743 0.46875975710393 0.43852160207164 18.998 > 73 75 F 0.16723254282743 0.96875975710393 0.43852160207164 18.998 > 73 76 F 0.66723254282743 0.96875975710393 0.43852160207164 18.998 > 73 77 F 0.16723254282743 0.46875975710393 0.93852160207164 18.998 > 73 78 F 0.66723254282743 0.46875975710393 0.93852160207164 18.998 > 73 79 F 0.16723254282743 0.96875975710393 0.93852160207164 18.998 > 73 80 F 0.66723254282743 0.96875975710393 0.93852160207164 18.998 > 73 81 F 0.33276745717257 0.21875975710393 0.06147839792836 18.998 > 81 82 F 0.83276745717257 0.21875975710393 0.06147839792836 18.998 > 81 83 F 0.33276745717257 0.71875975710393 0.06147839792836 18.998 > 81 84 F 0.83276745717257 0.71875975710393 0.06147839792836 18.998 > 81 85 F 0.33276745717257 0.21875975710393 0.56147839792836 18.998 > 81 86 F 0.83276745717257 0.21875975710393 0.56147839792836 18.998 > 81 87 F 0.33276745717257 0.71875975710393 0.56147839792836 18.998 > 81 88 F 0.83276745717257 0.71875975710393 0.56147839792836 18.998 > 81 89 F 0.41723254282743 0.28124024289607 0.31147839792836 18.998 > 89 90 F 0.91723254282743 0.28124024289607 0.31147839792836 18.998 > 89 91 F 0.41723254282743 0.78124024289607 0.31147839792836 18.998 > 89 92 F 0.91723254282743 0.78124024289607 0.31147839792836 18.998 > 89 93 F 0.41723254282743 0.28124024289607 0.81147839792836 18.998 > 89 94 F 0.91723254282743 0.28124024289607 0.81147839792836 18.998 > 89 95 F 0.41723254282743 0.78124024289607 0.81147839792836 18.998 > 89 96 F 0.91723254282743 0.78124024289607 0.81147839792836 18.998 > 89 97 Er 0.31515432445662 0.37500000000000 0.46886360251692 167.259 > 97 98 Er 0.81515432445662 0.37500000000000 0.46886360251692 167.259 > 97 99 Er 0.31515432445662 0.87500000000000 0.46886360251692 167.259 > 97 100 Er 0.81515432445662 0.87500000000000 0.46886360251692 167.259 > 97 101 Er 0.31515432445662 0.37500000000000 0.96886360251692 167.259 > 97 102 Er 0.81515432445662 0.37500000000000 0.96886360251692 167.259 > 97 103 Er 0.31515432445662 0.87500000000000 0.96886360251692 167.259 > 97 104 Er 0.81515432445662 0.87500000000000 0.96886360251692 167.259 > 97 105 Er 0.43484567554338 0.12500000000000 0.21886360251692 167.259 > 105 106 Er 0.93484567554338 0.12500000000000 0.21886360251692 167.259 > 105 107 Er 0.43484567554338 0.62500000000000 0.21886360251692 167.259 > 105 108 Er 0.93484567554338 0.62500000000000 0.21886360251692 167.259 > 105 109 Er 0.43484567554338 0.12500000000000 0.71886360251692 167.259 > 105 110 Er 0.93484567554338 0.12500000000000 0.71886360251692 167.259 > 105 111 Er 0.43484567554338 0.62500000000000 0.71886360251692 167.259 > 105 112 Er 0.93484567554338 0.62500000000000 0.71886360251692 167.259 > 105 113 Er 0.06515432445662 0.37500000000000 0.28113639748308 167.259 > 113 114 Er 0.56515432445662 0.37500000000000 0.28113639748308 167.259 > 113 115 Er 0.06515432445662 0.87500000000000 0.28113639748308 167.259 > 113 116 Er 0.56515432445662 0.87500000000000 0.28113639748308 167.259 > 113 117 Er 0.06515432445662 0.37500000000000 0.78113639748308 167.259 > 113 118 Er 0.56515432445662 0.37500000000000 0.78113639748308 167.259 > 113 119 Er 0.06515432445662 0.87500000000000 0.78113639748308 167.259 > 113 120 Er 0.56515432445662 0.87500000000000 0.78113639748308 167.259 > 113 121 Er 0.18484567554338 0.12500000000000 0.03113639748308 167.259 > 121 122 Er 0.68484567554338 0.12500000000000 0.03113639748308 167.259 > 121 123 Er 0.18484567554338 0.62500000000000 0.03113639748308 167.259 > 121 124 Er 0.68484567554338 0.62500000000000 0.03113639748308 167.259 > 121 125 Er 0.18484567554338 0.12500000000000 0.53113639748308 167.259 > 121 126 Er 0.68484567554338 0.12500000000000 0.53113639748308 167.259 > 121 127 Er 0.18484567554338 0.62500000000000 0.53113639748308 167.259 > 121 128 Er 0.68484567554338 0.62500000000000 0.53113639748308 167.259 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8051394 0.0000000 0.0000000 0.0000000 2.7316999 0.0000000 0.0000000 0.0000000 2.6678748 -------------------------- Born effective charges -------------------------- 1 F -1.2617846 -0.0238878 0.2473108 -0.0182436 -1.5554444 -0.3302614 0.2772536 -0.3347518 -1.0054270 2 F -1.2617846 -0.0238878 -0.2473108 -0.0182436 -1.5554444 0.3302614 -0.2772536 0.3347518 -1.0054270 3 F -1.2617846 0.0238878 -0.2473108 0.0182436 -1.5554444 -0.3302614 -0.2772536 -0.3347518 -1.0054270 4 F -1.2617846 0.0238878 0.2473108 0.0182436 -1.5554444 0.3302614 0.2772536 0.3347518 -1.0054270 5 F -1.4409802 0.0000000 0.2557317 0.0000000 -0.7272734 0.0000000 0.2748579 0.0000000 -1.6208728 6 F -1.4409802 0.0000000 -0.2557317 0.0000000 -0.7272734 0.0000000 -0.2748579 0.0000000 -1.6208728 7 F -1.4409802 0.0000000 -0.2557317 0.0000000 -0.7272734 0.0000000 -0.2748579 0.0000000 -1.6208728 8 F -1.4409802 0.0000000 0.2557317 0.0000000 -0.7272734 0.0000000 0.2748579 0.0000000 -1.6208728 9 F -1.2617846 0.0238878 0.2473108 0.0182436 -1.5554444 0.3302614 0.2772536 0.3347518 -1.0054270 10 F -1.2617846 0.0238878 -0.2473108 0.0182436 -1.5554444 -0.3302614 -0.2772536 -0.3347518 -1.0054270 11 F -1.2617846 -0.0238878 -0.2473108 -0.0182436 -1.5554444 0.3302614 -0.2772536 0.3347518 -1.0054270 12 F -1.2617846 -0.0238878 0.2473108 -0.0182436 -1.5554444 -0.3302614 0.2772536 -0.3347518 -1.0054270 13 Er 3.9645495 0.0000000 -0.2603998 0.0000000 3.8381623 0.0000000 -0.1325645 0.0000000 3.6317268 14 Er 3.9645495 0.0000000 0.2603998 0.0000000 3.8381623 0.0000000 0.1325645 0.0000000 3.6317268 15 Er 3.9645495 0.0000000 0.2603998 0.0000000 3.8381623 0.0000000 0.1325645 0.0000000 3.6317268 16 Er 3.9645495 0.0000000 -0.2603998 0.0000000 3.8381623 0.0000000 -0.1325645 0.0000000 3.6317268 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000017 (yzy) 0.00000017 (yzy) 0.00000017 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (zx) 0.00000003 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:20:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:20:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.239123880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.752808120000002 0.000000000000000 c 0.000000000000000 0.000000000000000 4.325587320000000 Atomic positions (fractional): 1 F 0.16553491434515 0.43751951420787 0.37704320414329 18.998 2 F 0.33446508565485 0.56248048579213 0.87704320414329 18.998 3 F 0.66553491434515 0.06248048579213 0.12295679585671 18.998 4 F 0.83446508565485 0.93751951420787 0.62295679585671 18.998 5 F 0.52306999809224 0.25000000000000 0.59012161308893 18.998 6 F 0.97693000190776 0.75000000000000 0.09012161308893 18.998 7 F 0.02306999809224 0.25000000000000 0.90987838691107 18.998 8 F 0.47693000190776 0.75000000000000 0.40987838691107 18.998 9 F 0.16553491434515 0.06248048579213 0.37704320414329 18.998 10 F 0.33446508565485 0.93751951420787 0.87704320414329 18.998 11 F 0.66553491434515 0.43751951420787 0.12295679585671 18.998 12 F 0.83446508565485 0.56248048579213 0.62295679585671 18.998 13 Er 0.63030864891325 0.75000000000000 0.93772720503383 167.259 14 Er 0.86969135108675 0.25000000000000 0.43772720503383 167.259 15 Er 0.13030864891325 0.75000000000000 0.56227279496617 167.259 16 Er 0.36969135108675 0.25000000000000 0.06227279496617 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.478247760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.505616240000004 0.000000000000000 c 0.000000000000000 0.000000000000000 8.651174640000001 Atomic positions (fractional): 1 F 0.08276745717257 0.21875975710393 0.18852160207164 18.998 > 1 2 F 0.58276745717257 0.21875975710393 0.18852160207164 18.998 > 1 3 F 0.08276745717257 0.71875975710393 0.18852160207164 18.998 > 1 4 F 0.58276745717257 0.71875975710393 0.18852160207164 18.998 > 1 5 F 0.08276745717257 0.21875975710393 0.68852160207164 18.998 > 1 6 F 0.58276745717257 0.21875975710393 0.68852160207164 18.998 > 1 7 F 0.08276745717257 0.71875975710393 0.68852160207164 18.998 > 1 8 F 0.58276745717257 0.71875975710393 0.68852160207164 18.998 > 1 9 F 0.16723254282743 0.28124024289607 0.43852160207164 18.998 > 9 10 F 0.66723254282743 0.28124024289607 0.43852160207164 18.998 > 9 11 F 0.16723254282743 0.78124024289607 0.43852160207164 18.998 > 9 12 F 0.66723254282743 0.78124024289607 0.43852160207164 18.998 > 9 13 F 0.16723254282743 0.28124024289607 0.93852160207164 18.998 > 9 14 F 0.66723254282743 0.28124024289607 0.93852160207164 18.998 > 9 15 F 0.16723254282743 0.78124024289607 0.93852160207164 18.998 > 9 16 F 0.66723254282743 0.78124024289607 0.93852160207164 18.998 > 9 17 F 0.33276745717257 0.03124024289607 0.06147839792836 18.998 > 17 18 F 0.83276745717257 0.03124024289607 0.06147839792836 18.998 > 17 19 F 0.33276745717257 0.53124024289607 0.06147839792836 18.998 > 17 20 F 0.83276745717257 0.53124024289607 0.06147839792836 18.998 > 17 21 F 0.33276745717257 0.03124024289607 0.56147839792836 18.998 > 17 22 F 0.83276745717257 0.03124024289607 0.56147839792836 18.998 > 17 23 F 0.33276745717257 0.53124024289607 0.56147839792836 18.998 > 17 24 F 0.83276745717257 0.53124024289607 0.56147839792836 18.998 > 17 25 F 0.41723254282743 0.46875975710393 0.31147839792836 18.998 > 25 26 F 0.91723254282743 0.46875975710393 0.31147839792836 18.998 > 25 27 F 0.41723254282743 0.96875975710393 0.31147839792836 18.998 > 25 28 F 0.91723254282743 0.96875975710393 0.31147839792836 18.998 > 25 29 F 0.41723254282743 0.46875975710393 0.81147839792836 18.998 > 25 30 F 0.91723254282743 0.46875975710393 0.81147839792836 18.998 > 25 31 F 0.41723254282743 0.96875975710393 0.81147839792836 18.998 > 25 32 F 0.91723254282743 0.96875975710393 0.81147839792836 18.998 > 25 33 F 0.26153499904612 0.12500000000000 0.29506080654447 18.998 > 33 34 F 0.76153499904612 0.12500000000000 0.29506080654447 18.998 > 33 35 F 0.26153499904612 0.62500000000000 0.29506080654447 18.998 > 33 36 F 0.76153499904612 0.62500000000000 0.29506080654447 18.998 > 33 37 F 0.26153499904612 0.12500000000000 0.79506080654447 18.998 > 33 38 F 0.76153499904612 0.12500000000000 0.79506080654447 18.998 > 33 39 F 0.26153499904612 0.62500000000000 0.79506080654447 18.998 > 33 40 F 0.76153499904612 0.62500000000000 0.79506080654447 18.998 > 33 41 F 0.48846500095388 0.37500000000000 0.04506080654447 18.998 > 41 42 F 0.98846500095388 0.37500000000000 0.04506080654447 18.998 > 41 43 F 0.48846500095388 0.87500000000000 0.04506080654447 18.998 > 41 44 F 0.98846500095388 0.87500000000000 0.04506080654447 18.998 > 41 45 F 0.48846500095388 0.37500000000000 0.54506080654447 18.998 > 41 46 F 0.98846500095388 0.37500000000000 0.54506080654447 18.998 > 41 47 F 0.48846500095388 0.87500000000000 0.54506080654447 18.998 > 41 48 F 0.98846500095388 0.87500000000000 0.54506080654447 18.998 > 41 49 F 0.01153499904612 0.12500000000000 0.45493919345553 18.998 > 49 50 F 0.51153499904612 0.12500000000000 0.45493919345553 18.998 > 49 51 F 0.01153499904612 0.62500000000000 0.45493919345553 18.998 > 49 52 F 0.51153499904612 0.62500000000000 0.45493919345553 18.998 > 49 53 F 0.01153499904612 0.12500000000000 0.95493919345553 18.998 > 49 54 F 0.51153499904612 0.12500000000000 0.95493919345553 18.998 > 49 55 F 0.01153499904612 0.62500000000000 0.95493919345553 18.998 > 49 56 F 0.51153499904612 0.62500000000000 0.95493919345553 18.998 > 49 57 F 0.23846500095388 0.37500000000000 0.20493919345553 18.998 > 57 58 F 0.73846500095388 0.37500000000000 0.20493919345553 18.998 > 57 59 F 0.23846500095388 0.87500000000000 0.20493919345553 18.998 > 57 60 F 0.73846500095388 0.87500000000000 0.20493919345553 18.998 > 57 61 F 0.23846500095388 0.37500000000000 0.70493919345553 18.998 > 57 62 F 0.73846500095388 0.37500000000000 0.70493919345553 18.998 > 57 63 F 0.23846500095388 0.87500000000000 0.70493919345553 18.998 > 57 64 F 0.73846500095388 0.87500000000000 0.70493919345553 18.998 > 57 65 F 0.08276745717257 0.03124024289607 0.18852160207164 18.998 > 65 66 F 0.58276745717257 0.03124024289607 0.18852160207164 18.998 > 65 67 F 0.08276745717257 0.53124024289607 0.18852160207164 18.998 > 65 68 F 0.58276745717257 0.53124024289607 0.18852160207164 18.998 > 65 69 F 0.08276745717257 0.03124024289607 0.68852160207164 18.998 > 65 70 F 0.58276745717257 0.03124024289607 0.68852160207164 18.998 > 65 71 F 0.08276745717257 0.53124024289607 0.68852160207164 18.998 > 65 72 F 0.58276745717257 0.53124024289607 0.68852160207164 18.998 > 65 73 F 0.16723254282743 0.46875975710393 0.43852160207164 18.998 > 73 74 F 0.66723254282743 0.46875975710393 0.43852160207164 18.998 > 73 75 F 0.16723254282743 0.96875975710393 0.43852160207164 18.998 > 73 76 F 0.66723254282743 0.96875975710393 0.43852160207164 18.998 > 73 77 F 0.16723254282743 0.46875975710393 0.93852160207164 18.998 > 73 78 F 0.66723254282743 0.46875975710393 0.93852160207164 18.998 > 73 79 F 0.16723254282743 0.96875975710393 0.93852160207164 18.998 > 73 80 F 0.66723254282743 0.96875975710393 0.93852160207164 18.998 > 73 81 F 0.33276745717257 0.21875975710393 0.06147839792836 18.998 > 81 82 F 0.83276745717257 0.21875975710393 0.06147839792836 18.998 > 81 83 F 0.33276745717257 0.71875975710393 0.06147839792836 18.998 > 81 84 F 0.83276745717257 0.71875975710393 0.06147839792836 18.998 > 81 85 F 0.33276745717257 0.21875975710393 0.56147839792836 18.998 > 81 86 F 0.83276745717257 0.21875975710393 0.56147839792836 18.998 > 81 87 F 0.33276745717257 0.71875975710393 0.56147839792836 18.998 > 81 88 F 0.83276745717257 0.71875975710393 0.56147839792836 18.998 > 81 89 F 0.41723254282743 0.28124024289607 0.31147839792836 18.998 > 89 90 F 0.91723254282743 0.28124024289607 0.31147839792836 18.998 > 89 91 F 0.41723254282743 0.78124024289607 0.31147839792836 18.998 > 89 92 F 0.91723254282743 0.78124024289607 0.31147839792836 18.998 > 89 93 F 0.41723254282743 0.28124024289607 0.81147839792836 18.998 > 89 94 F 0.91723254282743 0.28124024289607 0.81147839792836 18.998 > 89 95 F 0.41723254282743 0.78124024289607 0.81147839792836 18.998 > 89 96 F 0.91723254282743 0.78124024289607 0.81147839792836 18.998 > 89 97 Er 0.31515432445662 0.37500000000000 0.46886360251692 167.259 > 97 98 Er 0.81515432445662 0.37500000000000 0.46886360251692 167.259 > 97 99 Er 0.31515432445662 0.87500000000000 0.46886360251692 167.259 > 97 100 Er 0.81515432445662 0.87500000000000 0.46886360251692 167.259 > 97 101 Er 0.31515432445662 0.37500000000000 0.96886360251692 167.259 > 97 102 Er 0.81515432445662 0.37500000000000 0.96886360251692 167.259 > 97 103 Er 0.31515432445662 0.87500000000000 0.96886360251692 167.259 > 97 104 Er 0.81515432445662 0.87500000000000 0.96886360251692 167.259 > 97 105 Er 0.43484567554338 0.12500000000000 0.21886360251692 167.259 > 105 106 Er 0.93484567554338 0.12500000000000 0.21886360251692 167.259 > 105 107 Er 0.43484567554338 0.62500000000000 0.21886360251692 167.259 > 105 108 Er 0.93484567554338 0.62500000000000 0.21886360251692 167.259 > 105 109 Er 0.43484567554338 0.12500000000000 0.71886360251692 167.259 > 105 110 Er 0.93484567554338 0.12500000000000 0.71886360251692 167.259 > 105 111 Er 0.43484567554338 0.62500000000000 0.71886360251692 167.259 > 105 112 Er 0.93484567554338 0.62500000000000 0.71886360251692 167.259 > 105 113 Er 0.06515432445662 0.37500000000000 0.28113639748308 167.259 > 113 114 Er 0.56515432445662 0.37500000000000 0.28113639748308 167.259 > 113 115 Er 0.06515432445662 0.87500000000000 0.28113639748308 167.259 > 113 116 Er 0.56515432445662 0.87500000000000 0.28113639748308 167.259 > 113 117 Er 0.06515432445662 0.37500000000000 0.78113639748308 167.259 > 113 118 Er 0.56515432445662 0.37500000000000 0.78113639748308 167.259 > 113 119 Er 0.06515432445662 0.87500000000000 0.78113639748308 167.259 > 113 120 Er 0.56515432445662 0.87500000000000 0.78113639748308 167.259 > 113 121 Er 0.18484567554338 0.12500000000000 0.03113639748308 167.259 > 121 122 Er 0.68484567554338 0.12500000000000 0.03113639748308 167.259 > 121 123 Er 0.18484567554338 0.62500000000000 0.03113639748308 167.259 > 121 124 Er 0.68484567554338 0.62500000000000 0.03113639748308 167.259 > 121 125 Er 0.18484567554338 0.12500000000000 0.53113639748308 167.259 > 121 126 Er 0.68484567554338 0.12500000000000 0.53113639748308 167.259 > 121 127 Er 0.18484567554338 0.62500000000000 0.53113639748308 167.259 > 121 128 Er 0.68484567554338 0.62500000000000 0.53113639748308 167.259 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8051394 0.0000000 0.0000000 0.0000000 2.7316999 0.0000000 0.0000000 0.0000000 2.6678748 -------------------------- Born effective charges -------------------------- 1 F -1.2617846 -0.0238878 0.2473108 -0.0182436 -1.5554444 -0.3302614 0.2772536 -0.3347518 -1.0054270 2 F -1.2617846 -0.0238878 -0.2473108 -0.0182436 -1.5554444 0.3302614 -0.2772536 0.3347518 -1.0054270 3 F -1.2617846 0.0238878 -0.2473108 0.0182436 -1.5554444 -0.3302614 -0.2772536 -0.3347518 -1.0054270 4 F -1.2617846 0.0238878 0.2473108 0.0182436 -1.5554444 0.3302614 0.2772536 0.3347518 -1.0054270 5 F -1.4409802 0.0000000 0.2557317 0.0000000 -0.7272734 0.0000000 0.2748579 0.0000000 -1.6208728 6 F -1.4409802 0.0000000 -0.2557317 0.0000000 -0.7272734 0.0000000 -0.2748579 0.0000000 -1.6208728 7 F -1.4409802 0.0000000 -0.2557317 0.0000000 -0.7272734 0.0000000 -0.2748579 0.0000000 -1.6208728 8 F -1.4409802 0.0000000 0.2557317 0.0000000 -0.7272734 0.0000000 0.2748579 0.0000000 -1.6208728 9 F -1.2617846 0.0238878 0.2473108 0.0182436 -1.5554444 0.3302614 0.2772536 0.3347518 -1.0054270 10 F -1.2617846 0.0238878 -0.2473108 0.0182436 -1.5554444 -0.3302614 -0.2772536 -0.3347518 -1.0054270 11 F -1.2617846 -0.0238878 -0.2473108 -0.0182436 -1.5554444 0.3302614 -0.2772536 0.3347518 -1.0054270 12 F -1.2617846 -0.0238878 0.2473108 -0.0182436 -1.5554444 -0.3302614 0.2772536 -0.3347518 -1.0054270 13 Er 3.9645495 0.0000000 -0.2603998 0.0000000 3.8381623 0.0000000 -0.1325645 0.0000000 3.6317268 14 Er 3.9645495 0.0000000 0.2603998 0.0000000 3.8381623 0.0000000 0.1325645 0.0000000 3.6317268 15 Er 3.9645495 0.0000000 0.2603998 0.0000000 3.8381623 0.0000000 0.1325645 0.0000000 3.6317268 16 Er 3.9645495 0.0000000 -0.2603998 0.0000000 3.8381623 0.0000000 -0.1325645 0.0000000 3.6317268 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000017 (yzy) 0.00000017 (yzy) 0.00000017 (yyz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 12 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.73, Number of G-points: 307, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.332 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 6.206 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 0.000 0.000) 0.000 6.811 ( 0.000 0.000 0.000) 0.000 7.202 ( 0.000 0.000 0.000) 0.000 7.419 ( 0.000 0.000 0.000) 0.000 7.506 ( 0.000 0.000 0.000) 0.000 8.023 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 0.000) 0.000 8.467 ( 0.000 0.000 0.000) 0.000 8.468 ( 0.000 0.000 0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 9.611 ( 0.000 0.000 0.000) 0.000 9.843 ( 0.000 0.000 0.000) 0.000 9.935 ( 0.000 0.000 0.000) 0.000 10.355 ( 0.000 0.000 0.000) 0.000 10.456 ( 0.000 0.000 0.000) 0.000 10.500 ( 0.000 0.000 0.000) 0.000 10.548 ( 0.000 0.000 0.000) 0.000 10.582 ( 0.000 0.000 0.000) 0.000 11.106 ( 0.000 0.000 0.000) 0.000 11.139 ( 0.000 0.000 0.000) 0.000 11.377 ( 0.000 0.000 0.000) 0.000 11.977 ( 0.000 0.000 0.000) 0.000 12.039 ( 0.000 0.000 0.000) 0.000 12.356 ( 0.000 0.000 0.000) 0.000 12.729 ( 0.000 0.000 0.000) 0.000 13.250 ( 0.000 0.000 0.000) 0.000 13.496 ( 0.000 0.000 0.000) 0.000 14.836 ( 0.000 0.000 0.000) 0.000 15.680 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 28.933 0.000 0.000) 28.933 0.589 ( 29.082 0.000 0.000) 29.082 1.077 ( 52.815 0.000 0.000) 52.815 2.824 ( 3.285 0.000 0.000) 3.285 2.832 ( 2.299 0.000 0.000) 2.299 3.290 ( 3.440 0.000 0.000) 3.440 3.561 ( -18.401 0.000 0.000) 18.401 3.814 ( 5.617 0.000 0.000) 5.617 3.892 ( -0.430 0.000 0.000) 0.430 4.033 ( 2.940 0.000 0.000) 2.940 4.197 ( -0.326 0.000 0.000) 0.326 5.190 ( -4.508 0.000 0.000) 4.508 5.443 ( 8.886 0.000 0.000) 8.886 5.700 ( -2.139 0.000 0.000) 2.139 5.787 ( -1.373 0.000 0.000) 1.373 5.947 ( 4.569 0.000 0.000) 4.569 6.108 ( -13.498 0.000 0.000) 13.498 6.214 ( 0.782 0.000 0.000) 0.782 6.261 ( -7.822 0.000 0.000) 7.822 6.746 ( -5.864 0.000 0.000) 5.864 6.817 ( -14.710 0.000 0.000) 14.710 7.432 ( -6.791 0.000 0.000) 6.791 7.507 ( 18.008 0.000 0.000) 18.008 8.059 ( 3.592 0.000 0.000) 3.592 8.257 ( 6.773 0.000 0.000) 6.773 8.537 ( 6.673 0.000 0.000) 6.673 8.556 ( 8.082 0.000 0.000) 8.082 9.382 ( -2.537 0.000 0.000) 2.537 9.474 ( -4.677 0.000 0.000) 4.677 9.500 ( -7.924 0.000 0.000) 7.924 9.911 ( 3.428 0.000 0.000) 3.428 10.341 ( -1.521 0.000 0.000) 1.521 10.405 ( -4.937 0.000 0.000) 4.937 10.531 ( 3.315 0.000 0.000) 3.315 10.533 ( -1.329 0.000 0.000) 1.329 10.545 ( -3.700 0.000 0.000) 3.700 11.048 ( -8.161 0.000 0.000) 8.161 11.110 ( 0.715 0.000 0.000) 0.715 11.208 ( -2.995 0.000 0.000) 2.995 11.380 ( 0.179 0.000 0.000) 0.179 12.106 ( 6.034 0.000 0.000) 6.034 12.429 ( 6.832 0.000 0.000) 6.832 12.717 ( -1.249 0.000 0.000) 1.249 13.283 ( 3.285 0.000 0.000) 3.285 13.453 ( -4.009 0.000 0.000) 4.009 14.031 ( -2.154 0.000 0.000) 2.154 15.203 ( 3.898 0.000 0.000) 3.898 15.675 ( -0.571 0.000 0.000) 0.571 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 27.758 0.000 0.000) 27.758 1.159 ( 27.632 0.000 0.000) 27.632 2.079 ( 44.570 0.000 0.000) 44.570 2.839 ( -0.316 0.000 0.000) 0.316 2.901 ( 4.572 0.000 0.000) 4.572 3.144 ( -22.330 0.000 0.000) 22.330 3.374 ( 2.020 0.000 0.000) 2.020 3.966 ( 9.062 0.000 0.000) 9.062 3.969 ( 10.920 0.000 0.000) 10.920 4.069 ( 1.180 0.000 0.000) 1.180 4.185 ( -0.864 0.000 0.000) 0.864 5.067 ( -7.385 0.000 0.000) 7.385 5.577 ( -22.568 0.000 0.000) 22.568 5.582 ( 3.616 0.000 0.000) 3.616 5.648 ( -2.752 0.000 0.000) 2.752 5.897 ( -7.971 0.000 0.000) 7.971 6.035 ( -10.348 0.000 0.000) 10.348 6.125 ( 13.303 0.000 0.000) 13.303 6.238 ( 1.665 0.000 0.000) 1.665 6.545 ( -12.403 0.000 0.000) 12.403 6.606 ( -7.424 0.000 0.000) 7.424 7.258 ( -10.223 0.000 0.000) 10.223 7.863 ( 17.076 0.000 0.000) 17.076 8.158 ( 5.970 0.000 0.000) 5.970 8.434 ( 10.436 0.000 0.000) 10.436 8.718 ( 10.723 0.000 0.000) 10.723 8.749 ( 10.119 0.000 0.000) 10.119 9.305 ( -5.130 0.000 0.000) 5.130 9.348 ( -6.957 0.000 0.000) 6.957 9.350 ( -7.242 0.000 0.000) 7.242 9.931 ( -0.995 0.000 0.000) 0.995 10.269 ( -8.228 0.000 0.000) 8.228 10.290 ( -3.509 0.000 0.000) 3.509 10.437 ( -6.825 0.000 0.000) 6.825 10.509 ( -0.746 0.000 0.000) 0.746 10.632 ( 6.321 0.000 0.000) 6.321 10.856 ( -9.990 0.000 0.000) 9.990 11.126 ( -4.931 0.000 0.000) 4.931 11.144 ( 2.771 0.000 0.000) 2.771 11.378 ( -0.517 0.000 0.000) 0.517 12.249 ( 7.570 0.000 0.000) 7.570 12.607 ( 10.416 0.000 0.000) 10.416 12.679 ( -2.561 0.000 0.000) 2.561 13.347 ( -6.336 0.000 0.000) 6.336 13.377 ( 5.909 0.000 0.000) 5.909 13.959 ( -5.026 0.000 0.000) 5.026 15.306 ( 6.033 0.000 0.000) 6.033 15.655 ( -1.479 0.000 0.000) 1.479 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 24.843 0.000 0.000) 24.843 1.695 ( 26.138 0.000 0.000) 26.138 2.451 ( -8.317 0.000 0.000) 8.317 2.684 ( -23.527 0.000 0.000) 23.527 3.013 ( 6.452 0.000 0.000) 6.452 3.179 ( 25.436 0.000 0.000) 25.436 3.363 ( 7.861 0.000 0.000) 7.861 4.094 ( 1.418 0.000 0.000) 1.418 4.141 ( 6.632 0.000 0.000) 6.632 4.161 ( -1.517 0.000 0.000) 1.517 4.317 ( 20.091 0.000 0.000) 20.091 4.929 ( -4.408 0.000 0.000) 4.408 5.016 ( -30.511 0.000 0.000) 30.511 5.539 ( -23.245 0.000 0.000) 23.245 5.602 ( -1.548 0.000 0.000) 1.548 5.603 ( -0.531 0.000 0.000) 0.531 6.024 ( 4.373 0.000 0.000) 4.373 6.282 ( 2.854 0.000 0.000) 2.854 6.321 ( -10.007 0.000 0.000) 10.007 6.420 ( 9.968 0.000 0.000) 9.968 6.481 ( 0.106 0.000 0.000) 0.106 7.029 ( -12.532 0.000 0.000) 12.532 8.165 ( 12.242 0.000 0.000) 12.242 8.277 ( 5.098 0.000 0.000) 5.098 8.658 ( 11.515 0.000 0.000) 11.515 8.912 ( 4.533 0.000 0.000) 4.533 8.934 ( 9.956 0.000 0.000) 9.956 9.185 ( -6.196 0.000 0.000) 6.196 9.210 ( -5.840 0.000 0.000) 5.840 9.223 ( -5.459 0.000 0.000) 5.459 9.911 ( 0.100 0.000 0.000) 0.100 10.097 ( -8.312 0.000 0.000) 8.312 10.214 ( -3.435 0.000 0.000) 3.435 10.288 ( -7.243 0.000 0.000) 7.243 10.513 ( 1.337 0.000 0.000) 1.337 10.678 ( -7.335 0.000 0.000) 7.335 10.765 ( 6.649 0.000 0.000) 6.649 11.017 ( -5.869 0.000 0.000) 5.869 11.216 ( 4.135 0.000 0.000) 4.135 11.354 ( -2.018 0.000 0.000) 2.018 12.395 ( 6.853 0.000 0.000) 6.853 12.613 ( -3.974 0.000 0.000) 3.974 12.825 ( 10.840 0.000 0.000) 10.840 13.204 ( -7.885 0.000 0.000) 7.885 13.514 ( 7.613 0.000 0.000) 7.613 13.833 ( -7.348 0.000 0.000) 7.348 15.429 ( 5.993 0.000 0.000) 5.993 15.612 ( -2.888 0.000 0.000) 2.888 ======================= Grid point 4 (5/140) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -19.995 0.000 0.000) 19.995 2.141 ( 19.995 0.000 0.000) 19.995 2.202 ( -24.599 0.000 0.000) 24.599 2.202 ( 24.599 0.000 0.000) 24.599 3.153 ( -7.177 0.000 0.000) 7.177 3.153 ( 7.177 0.000 0.000) 7.177 3.997 ( -28.077 0.000 0.000) 28.077 3.997 ( 28.077 0.000 0.000) 28.077 4.127 ( -1.793 0.000 0.000) 1.793 4.127 ( 1.793 0.000 0.000) 1.793 4.578 ( -8.112 0.000 0.000) 8.112 4.578 ( 8.112 0.000 0.000) 8.112 5.073 ( -20.147 0.000 0.000) 20.147 5.073 ( 20.147 0.000 0.000) 20.147 5.590 ( -0.294 0.000 0.000) 0.294 5.590 ( 0.294 0.000 0.000) 0.294 6.145 ( -7.483 0.000 0.000) 7.483 6.145 ( 7.483 0.000 0.000) 7.483 6.354 ( -4.368 0.000 0.000) 4.368 6.354 ( 4.368 0.000 0.000) 4.368 6.755 ( -14.785 0.000 0.000) 14.785 6.755 ( 14.785 0.000 0.000) 14.785 8.317 ( -2.341 0.000 0.000) 2.341 8.317 ( 2.341 0.000 0.000) 2.341 8.868 ( -8.252 0.000 0.000) 8.252 8.868 ( 8.252 0.000 0.000) 8.252 9.085 ( -4.887 0.000 0.000) 4.887 9.085 ( 4.887 0.000 0.000) 4.887 9.153 ( -0.650 0.000 0.000) 0.650 9.153 ( 0.650 0.000 0.000) 0.650 9.960 ( -4.897 0.000 0.000) 4.897 9.960 ( 4.897 0.000 0.000) 4.897 10.189 ( -1.814 0.000 0.000) 1.814 10.189 ( 1.814 0.000 0.000) 1.814 10.566 ( -4.007 0.000 0.000) 4.007 10.566 ( 4.007 0.000 0.000) 4.007 10.895 ( -6.286 0.000 0.000) 6.286 10.895 ( 6.286 0.000 0.000) 6.286 11.297 ( -3.610 0.000 0.000) 3.610 11.297 ( 3.610 0.000 0.000) 3.610 12.519 ( -5.464 0.000 0.000) 5.464 12.519 ( 5.464 0.000 0.000) 5.464 13.030 ( -9.531 0.000 0.000) 9.531 13.030 ( 9.531 0.000 0.000) 9.531 13.675 ( -8.215 0.000 0.000) 8.215 13.675 ( 8.215 0.000 0.000) 8.215 15.537 ( -4.608 0.000 0.000) 4.608 15.537 ( 4.608 0.000 0.000) 4.608 ======================= Grid point 9 (6/140) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.000 28.328 0.000) 28.328 0.607 ( 0.000 28.471 0.000) 28.471 1.168 ( 0.000 54.287 0.000) 54.287 2.739 ( 0.000 -6.595 0.000) 6.595 2.747 ( 0.000 -3.336 0.000) 3.336 3.245 ( 0.000 -0.633 0.000) 0.633 3.663 ( 0.000 -5.691 0.000) 5.691 3.858 ( 0.000 -4.142 0.000) 4.142 3.879 ( 0.000 4.583 0.000) 4.583 3.882 ( 0.000 -7.033 0.000) 7.033 4.266 ( 0.000 5.302 0.000) 5.302 5.232 ( 0.000 -0.443 0.000) 0.443 5.381 ( 0.000 4.701 0.000) 4.701 5.383 ( 0.000 -22.797 0.000) 22.797 5.601 ( 0.000 -11.082 0.000) 11.082 6.172 ( 0.000 6.188 0.000) 6.188 6.327 ( 0.000 7.376 0.000) 7.376 6.373 ( 0.000 4.667 0.000) 4.667 6.729 ( 0.000 -0.038 0.000) 0.038 6.812 ( 0.000 0.403 0.000) 0.403 7.135 ( 0.000 -5.286 0.000) 5.286 7.403 ( 0.000 -1.260 0.000) 1.260 7.498 ( 0.000 1.946 0.000) 1.946 7.773 ( 0.000 -15.376 0.000) 15.376 8.024 ( 0.000 2.496 0.000) 2.496 8.359 ( 0.000 8.592 0.000) 8.592 8.450 ( 0.000 -1.666 0.000) 1.666 8.468 ( 0.000 0.117 0.000) 0.117 9.600 ( 0.000 0.023 0.000) 0.023 9.862 ( 0.000 1.589 0.000) 1.589 9.880 ( 0.000 -4.541 0.000) 4.541 9.915 ( 0.000 -11.346 0.000) 11.346 10.484 ( 0.000 6.556 0.000) 6.556 10.513 ( 0.000 4.736 0.000) 4.736 10.531 ( 0.000 -1.564 0.000) 1.564 10.641 ( 0.000 12.132 0.000) 12.132 10.672 ( 0.000 7.508 0.000) 7.508 11.190 ( 0.000 8.413 0.000) 8.413 11.400 ( 0.000 2.222 0.000) 2.222 11.956 ( 0.000 -2.083 0.000) 2.083 12.033 ( 0.000 -20.091 0.000) 20.091 12.073 ( 0.000 3.471 0.000) 3.471 12.901 ( 0.000 1.305 0.000) 1.305 13.376 ( 0.000 16.308 0.000) 16.308 13.394 ( 0.000 -9.252 0.000) 9.252 14.852 ( 0.000 1.421 0.000) 1.421 14.908 ( 0.000 1.640 0.000) 1.640 15.592 ( 0.000 -8.264 0.000) 8.264 ======================= Grid point 10 (7/140) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 19.102 20.519 0.000) 28.034 0.838 ( 19.965 19.929 0.000) 28.209 1.596 ( 35.573 39.153 0.000) 52.900 2.763 ( 2.389 -6.477 0.000) 6.903 2.819 ( 5.394 -1.306 0.000) 5.550 3.246 ( 0.986 -2.960 0.000) 3.120 3.485 ( -15.403 -5.415 0.000) 16.327 3.846 ( -0.513 -4.159 0.000) 4.191 3.871 ( 4.275 3.792 0.000) 5.714 3.990 ( 4.120 -3.758 0.000) 5.576 4.261 ( -0.465 5.122 0.000) 5.143 5.153 ( -6.037 -1.503 0.000) 6.221 5.281 ( -2.667 -16.399 0.000) 16.614 5.590 ( -0.949 -10.002 0.000) 10.047 5.607 ( 13.879 -3.417 0.000) 14.294 6.130 ( -12.161 1.296 0.000) 12.229 6.177 ( -4.064 9.637 0.000) 10.459 6.322 ( -7.258 6.031 0.000) 9.437 6.508 ( -12.974 15.647 0.000) 20.326 6.760 ( -4.543 1.692 0.000) 4.847 6.794 ( -16.234 -1.831 0.000) 16.337 7.391 ( 4.999 -3.239 0.000) 5.957 7.497 ( 2.763 -1.004 0.000) 2.939 7.836 ( 5.820 -14.756 0.000) 15.863 8.399 ( 4.110 7.285 0.000) 8.364 8.537 ( 6.509 0.320 0.000) 6.517 8.550 ( 9.011 -0.598 0.000) 9.031 8.784 ( 28.513 -23.396 0.000) 36.883 9.535 ( -5.214 3.082 0.000) 6.057 9.652 ( -10.708 0.359 0.000) 10.714 9.870 ( -0.127 -1.833 0.000) 1.838 10.189 ( 12.144 -23.503 0.000) 26.455 10.459 ( -2.764 4.016 0.000) 4.875 10.507 ( -1.514 -1.484 0.000) 2.120 10.539 ( -7.686 7.703 0.000) 10.881 10.575 ( 5.390 7.319 0.000) 9.090 10.682 ( -1.559 8.204 0.000) 8.351 11.188 ( 0.195 7.608 0.000) 7.610 11.389 ( -1.477 1.907 0.000) 2.412 11.767 ( -15.098 11.389 0.000) 18.912 12.083 ( 3.412 -0.382 0.000) 3.433 12.094 ( 5.514 -19.422 0.000) 20.190 12.909 ( 0.830 1.949 0.000) 2.118 13.381 ( -1.973 -8.397 0.000) 8.626 13.409 ( 3.307 15.979 0.000) 16.317 14.439 ( -17.691 20.933 0.000) 27.408 15.113 ( 6.976 -5.483 0.000) 8.873 15.588 ( -0.410 -8.107 0.000) 8.118 ======================= Grid point 11 (8/140) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 24.845 11.500 0.000) 27.378 1.294 ( 24.164 12.053 0.000) 27.003 2.367 ( 35.521 24.286 0.000) 43.030 2.833 ( 4.455 -6.280 0.000) 7.699 2.878 ( 2.393 3.473 0.000) 4.217 3.125 ( -19.552 -1.134 0.000) 19.585 3.297 ( 2.150 -6.666 0.000) 7.004 3.902 ( 8.129 -5.995 0.000) 10.100 4.005 ( 8.068 2.875 0.000) 8.565 4.047 ( 2.112 -2.314 0.000) 3.133 4.253 ( 0.190 5.380 0.000) 5.383 5.019 ( -7.202 -3.165 0.000) 7.867 5.238 ( -3.100 -19.435 0.000) 19.681 5.570 ( -0.868 -7.265 0.000) 7.316 5.722 ( -22.053 6.363 0.000) 22.952 5.901 ( 9.857 -3.221 0.000) 10.370 6.072 ( -14.428 4.502 0.000) 15.114 6.193 ( 2.886 3.724 0.000) 4.712 6.301 ( -8.901 4.025 0.000) 9.769 6.587 ( -5.864 4.017 0.000) 7.108 6.660 ( -4.835 5.304 0.000) 7.177 7.249 ( -11.014 -0.738 0.000) 11.039 7.770 ( 15.577 -8.184 0.000) 17.596 7.980 ( 7.908 -13.465 0.000) 15.616 8.523 ( 7.961 5.189 0.000) 9.503 8.706 ( 9.786 -0.476 0.000) 9.797 8.762 ( 10.871 1.127 0.000) 10.929 9.073 ( 5.382 -11.048 0.000) 12.289 9.429 ( -4.966 6.742 0.000) 8.373 9.447 ( -10.017 1.300 0.000) 10.101 9.847 ( -1.633 -4.501 0.000) 4.788 10.303 ( -4.738 -3.951 0.000) 6.169 10.377 ( -5.052 2.290 0.000) 5.547 10.387 ( -2.632 -11.096 0.000) 11.403 10.474 ( -1.675 -2.475 0.000) 2.988 10.594 ( -6.932 4.187 0.000) 8.098 10.710 ( 7.466 8.577 0.000) 11.372 11.213 ( 2.498 6.585 0.000) 7.043 11.311 ( -6.852 3.740 0.000) 7.806 11.532 ( -6.955 13.240 0.000) 14.955 12.178 ( 5.328 -4.438 0.000) 6.934 12.221 ( 6.275 -18.226 0.000) 19.276 12.936 ( 2.018 2.907 0.000) 3.539 13.311 ( -4.665 -5.931 0.000) 7.546 13.505 ( 6.144 15.312 0.000) 16.498 14.180 ( -10.008 17.624 0.000) 20.267 15.244 ( 6.451 -5.071 0.000) 8.206 15.573 ( -1.181 -7.656 0.000) 7.747 ======================= Grid point 12 (9/140) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 24.080 7.035 0.000) 25.087 1.772 ( 22.886 7.718 0.000) 24.153 2.547 ( -10.681 8.474 0.000) 13.634 2.705 ( -20.730 2.428 0.000) 20.871 2.954 ( 6.119 -5.224 0.000) 8.046 3.195 ( 2.537 -3.163 0.000) 4.054 3.421 ( 30.399 9.740 0.000) 31.921 4.068 ( 0.891 -2.954 0.000) 3.086 4.096 ( 5.338 -7.742 0.000) 9.403 4.182 ( 7.526 3.177 0.000) 8.169 4.346 ( 11.941 3.654 0.000) 12.488 4.888 ( -4.352 -2.932 0.000) 5.247 5.013 ( -23.563 -4.370 0.000) 23.964 5.303 ( -15.307 -6.967 0.000) 16.818 5.563 ( 0.275 -4.111 0.000) 4.121 5.755 ( -13.598 4.315 0.000) 14.266 6.006 ( 1.269 -0.850 0.000) 1.528 6.142 ( -6.701 -4.586 0.000) 8.121 6.394 ( 14.002 -3.418 0.000) 14.413 6.522 ( -1.310 9.721 0.000) 9.809 6.584 ( -2.178 9.418 0.000) 9.667 7.005 ( -13.208 -1.725 0.000) 13.320 8.044 ( 10.914 -10.602 0.000) 15.216 8.126 ( 5.820 -12.577 0.000) 13.859 8.702 ( 9.321 2.721 0.000) 9.710 8.902 ( 9.099 -1.538 0.000) 9.228 8.918 ( 2.613 0.395 0.000) 2.643 9.136 ( 2.881 -1.475 0.000) 3.237 9.256 ( -8.177 1.795 0.000) 8.371 9.339 ( -4.102 9.064 0.000) 9.949 9.835 ( 1.252 -3.938 0.000) 4.132 10.103 ( -10.909 2.199 0.000) 11.128 10.283 ( -3.453 2.134 0.000) 4.060 10.372 ( -3.458 -0.839 0.000) 3.558 10.444 ( -1.183 -5.357 0.000) 5.486 10.450 ( -4.610 -9.642 0.000) 10.687 10.858 ( 7.183 8.462 0.000) 11.100 11.151 ( -7.997 7.096 0.000) 10.691 11.284 ( 4.203 6.310 0.000) 7.582 11.443 ( -3.441 8.583 0.000) 9.247 12.277 ( 4.204 -8.098 0.000) 9.124 12.318 ( 2.978 -15.913 0.000) 16.190 12.995 ( 3.954 2.098 0.000) 4.477 13.205 ( -5.675 -3.487 0.000) 6.660 13.649 ( 7.996 14.726 0.000) 16.757 13.995 ( -8.884 14.898 0.000) 17.345 15.369 ( 5.787 -5.421 0.000) 7.929 15.537 ( -2.502 -6.973 0.000) 7.408 ======================= Grid point 13 (10/140) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -2.581 1.937 0.000) 3.227 2.141 ( 2.581 1.937 0.000) 3.227 2.326 ( -6.028 9.993 0.000) 11.671 2.326 ( 6.028 9.993 0.000) 11.671 3.092 ( -7.092 -5.544 0.000) 9.002 3.092 ( 7.092 -5.544 0.000) 9.002 4.031 ( -12.999 0.613 0.000) 13.014 4.031 ( 12.999 0.613 0.000) 13.014 4.170 ( -9.434 4.351 0.000) 10.389 4.170 ( 9.434 4.351 0.000) 10.389 4.567 ( -11.034 -0.942 0.000) 11.074 4.567 ( 11.034 -0.942 0.000) 11.074 4.988 ( -15.159 -5.571 0.000) 16.150 4.988 ( 15.159 -5.571 0.000) 16.150 5.593 ( -3.441 -0.716 0.000) 3.515 5.593 ( 3.441 -0.716 0.000) 3.515 6.042 ( -3.142 -4.725 0.000) 5.674 6.042 ( 3.142 -4.725 0.000) 5.674 6.518 ( -0.438 8.900 0.000) 8.911 6.518 ( 0.438 8.900 0.000) 8.911 6.725 ( -14.329 -1.137 0.000) 14.374 6.725 ( 14.329 -1.137 0.000) 14.374 8.175 ( -1.762 -12.150 0.000) 12.277 8.175 ( 1.762 -12.150 0.000) 12.277 8.867 ( -6.324 0.017 0.000) 6.324 8.867 ( 6.324 0.017 0.000) 6.324 9.063 ( -7.450 -0.774 0.000) 7.490 9.063 ( 7.450 -0.774 0.000) 7.490 9.258 ( -4.349 7.652 0.000) 8.802 9.258 ( 4.349 7.652 0.000) 8.802 9.917 ( -6.977 -1.286 0.000) 7.095 9.917 ( 6.977 -1.286 0.000) 7.095 10.274 ( -3.090 4.146 0.000) 5.171 10.274 ( 3.090 4.146 0.000) 5.171 10.428 ( -0.362 -10.404 0.000) 10.411 10.428 ( 0.362 -10.404 0.000) 10.411 11.001 ( -7.163 7.977 0.000) 10.721 11.001 ( 7.163 7.977 0.000) 10.721 11.369 ( -4.086 6.830 0.000) 7.959 11.369 ( 4.086 6.830 0.000) 7.959 12.334 ( -1.249 -12.048 0.000) 12.112 12.334 ( 1.249 -12.048 0.000) 12.112 13.092 ( -5.477 -0.675 0.000) 5.519 13.092 ( 5.477 -0.675 0.000) 5.519 13.818 ( -8.763 14.386 0.000) 16.845 13.818 ( 8.763 14.386 0.000) 16.845 15.470 ( -4.222 -6.166 0.000) 7.473 15.470 ( 4.222 -6.166 0.000) 7.473 ======================= Grid point 18 (11/140) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.000 27.174 0.000) 27.174 1.198 ( 0.000 27.232 0.000) 27.232 2.273 ( 0.000 49.080 0.000) 49.080 2.533 ( 0.000 -12.799 0.000) 12.799 2.586 ( 0.000 -11.799 0.000) 11.799 3.285 ( 0.000 4.994 0.000) 4.994 3.545 ( 0.000 -4.851 0.000) 4.851 3.700 ( 0.000 -9.120 0.000) 9.120 3.738 ( 0.000 -7.098 0.000) 7.098 3.996 ( 0.000 6.838 0.000) 6.838 4.346 ( 0.000 -0.931 0.000) 0.931 4.904 ( 0.000 -21.739 0.000) 21.739 5.215 ( 0.000 -1.284 0.000) 1.284 5.307 ( 0.000 -14.128 0.000) 14.128 5.531 ( 0.000 9.275 0.000) 9.275 6.154 ( 0.000 -5.044 0.000) 5.044 6.486 ( 0.000 5.313 0.000) 5.313 6.513 ( 0.000 6.652 0.000) 6.652 6.736 ( 0.000 0.944 0.000) 0.944 6.851 ( 0.000 3.915 0.000) 3.915 7.009 ( 0.000 -6.296 0.000) 6.296 7.382 ( 0.000 -0.260 0.000) 0.260 7.450 ( 0.000 -14.475 0.000) 14.475 7.511 ( 0.000 -1.055 0.000) 1.055 8.100 ( 0.000 4.498 0.000) 4.498 8.396 ( 0.000 -3.356 0.000) 3.356 8.481 ( 0.000 1.247 0.000) 1.247 8.491 ( 0.000 3.884 0.000) 3.884 9.643 ( 0.000 4.132 0.000) 4.132 9.713 ( 0.000 -6.941 0.000) 6.941 9.771 ( 0.000 -5.329 0.000) 5.329 9.891 ( 0.000 0.542 0.000) 0.542 10.491 ( 0.000 -1.824 0.000) 1.824 10.496 ( 0.000 -0.519 0.000) 0.519 10.750 ( 0.000 11.692 0.000) 11.692 10.847 ( 0.000 7.873 0.000) 7.873 10.869 ( 0.000 8.513 0.000) 8.513 11.475 ( 0.000 18.200 0.000) 18.200 11.477 ( 0.000 5.191 0.000) 5.191 11.625 ( 0.000 -18.041 0.000) 18.041 11.887 ( 0.000 -4.478 0.000) 4.478 12.199 ( 0.000 8.682 0.000) 8.682 12.737 ( 0.000 -13.809 0.000) 13.809 13.129 ( 0.000 -15.137 0.000) 15.137 13.865 ( 0.000 26.352 0.000) 26.352 14.891 ( 0.000 2.100 0.000) 2.100 14.943 ( 0.000 1.289 0.000) 1.289 15.335 ( 0.000 -15.806 0.000) 15.806 ======================= Grid point 19 (12/140) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 11.758 23.971 0.000) 26.699 1.322 ( 11.629 25.907 0.000) 28.397 2.493 ( 20.623 42.086 0.000) 46.867 2.563 ( 2.901 -12.354 0.000) 12.690 2.697 ( 9.911 -10.308 0.000) 14.299 3.243 ( -3.894 3.846 0.000) 5.473 3.392 ( -11.260 -2.363 0.000) 11.505 3.725 ( -0.886 -7.077 0.000) 7.132 3.804 ( 6.179 -9.621 0.000) 11.434 4.022 ( 2.831 6.749 0.000) 7.319 4.338 ( -0.504 -0.668 0.000) 0.837 4.876 ( -2.139 -19.627 0.000) 19.743 5.129 ( -7.131 -1.239 0.000) 7.238 5.325 ( 1.376 -12.802 0.000) 12.875 5.643 ( 9.998 5.481 0.000) 11.402 6.109 ( -5.147 -3.537 0.000) 6.245 6.335 ( -11.938 6.376 0.000) 13.534 6.449 ( -7.998 4.079 0.000) 8.979 6.706 ( -2.216 3.176 0.000) 3.873 6.771 ( -21.227 0.652 0.000) 21.237 6.837 ( -1.065 5.744 0.000) 5.842 7.329 ( 5.774 -1.963 0.000) 6.098 7.456 ( -6.446 -2.929 0.000) 7.080 7.513 ( 5.812 -15.105 0.000) 16.185 8.505 ( 3.315 3.020 0.000) 4.484 8.509 ( 25.965 -5.331 0.000) 26.506 8.530 ( 11.985 -1.325 0.000) 12.058 8.563 ( 5.898 1.812 0.000) 6.170 9.606 ( -7.420 -2.811 0.000) 7.935 9.624 ( -1.626 5.232 0.000) 5.479 9.839 ( 3.962 -11.549 0.000) 12.210 9.860 ( -2.772 0.287 0.000) 2.786 10.432 ( -4.382 -2.593 0.000) 5.092 10.484 ( -2.288 -1.702 0.000) 2.852 10.722 ( -9.643 8.369 0.000) 12.768 10.816 ( 5.871 11.948 0.000) 13.313 10.858 ( -3.715 6.551 0.000) 7.531 11.416 ( -2.793 10.143 0.000) 10.520 11.460 ( -1.849 5.095 0.000) 5.420 11.746 ( 8.774 -9.597 0.000) 13.003 11.850 ( -3.888 -1.840 0.000) 4.301 12.164 ( -2.025 8.761 0.000) 8.992 12.754 ( 1.641 -13.556 0.000) 13.655 13.124 ( -0.826 -15.071 0.000) 15.093 13.891 ( 2.603 26.046 0.000) 26.175 14.746 ( -9.845 9.591 0.000) 13.745 15.024 ( 4.704 -3.050 0.000) 5.607 15.337 ( 0.099 -15.478 0.000) 15.478 ======================= Grid point 20 (13/140) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 17.748 17.926 0.000) 25.225 1.628 ( 17.957 21.238 0.000) 27.812 2.646 ( 5.228 -11.185 0.000) 12.346 2.882 ( 4.574 -1.124 0.000) 4.710 2.970 ( 16.966 19.967 0.000) 26.202 3.139 ( -13.622 3.485 0.000) 14.060 3.206 ( 9.689 6.330 0.000) 11.574 3.735 ( 2.974 -9.239 0.000) 9.705 3.894 ( 2.569 -11.095 0.000) 11.389 4.118 ( 6.646 6.325 0.000) 9.175 4.343 ( 1.615 0.934 0.000) 1.866 4.838 ( -1.674 -17.332 0.000) 17.413 4.975 ( -7.571 -0.611 0.000) 7.595 5.360 ( 2.128 -11.653 0.000) 11.845 5.833 ( -9.656 1.786 0.000) 9.820 5.896 ( -0.441 5.036 0.000) 5.055 6.117 ( -10.343 0.409 0.000) 10.351 6.242 ( -8.230 0.710 0.000) 8.261 6.378 ( -16.297 4.055 0.000) 16.794 6.673 ( -1.524 2.382 0.000) 2.828 6.819 ( -0.542 9.149 0.000) 9.165 7.237 ( -10.555 0.076 0.000) 10.555 7.566 ( 11.508 -9.898 0.000) 15.179 7.658 ( 8.007 -16.177 0.000) 18.050 8.608 ( 6.630 3.129 0.000) 7.331 8.712 ( 8.519 0.594 0.000) 8.539 8.793 ( 12.671 1.752 0.000) 12.792 8.911 ( 13.495 -4.464 0.000) 14.214 9.443 ( -8.375 -0.278 0.000) 8.380 9.592 ( -1.459 7.865 0.000) 7.999 9.802 ( -2.280 0.118 0.000) 2.283 9.928 ( 5.238 -17.089 0.000) 17.874 10.327 ( -5.714 -4.434 0.000) 7.233 10.414 ( -4.450 -3.926 0.000) 5.934 10.484 ( -13.611 7.478 0.000) 15.530 10.716 ( -10.050 3.735 0.000) 10.722 10.952 ( 7.079 12.032 0.000) 13.960 11.399 ( -4.133 5.921 0.000) 7.220 11.401 ( 1.327 8.626 0.000) 8.727 11.748 ( -5.465 4.736 0.000) 7.232 11.922 ( 8.269 -7.438 0.000) 11.122 12.151 ( 0.419 4.232 0.000) 4.253 12.799 ( 2.712 -12.985 0.000) 13.265 13.087 ( -2.829 -14.360 0.000) 14.636 13.967 ( 4.863 25.049 0.000) 25.517 14.547 ( -9.481 15.291 0.000) 17.992 15.123 ( 4.987 -6.060 0.000) 7.849 15.337 ( -0.215 -14.521 0.000) 14.522 ======================= Grid point 21 (14/140) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 17.936 12.290 0.000) 21.743 2.000 ( 18.055 14.949 0.000) 23.440 2.744 ( 0.836 -5.230 0.000) 5.297 2.781 ( -11.160 13.159 0.000) 17.254 2.878 ( -8.575 5.458 0.000) 10.164 3.031 ( -2.515 -11.098 0.000) 11.379 3.724 ( 24.291 9.630 0.000) 26.130 3.868 ( 13.834 -6.189 0.000) 15.155 3.916 ( -0.175 -12.449 0.000) 12.451 4.265 ( 7.168 4.704 0.000) 8.574 4.426 ( 6.178 2.144 0.000) 6.540 4.778 ( -6.008 -12.841 0.000) 14.177 4.856 ( -2.931 0.850 0.000) 3.052 5.366 ( -25.493 8.410 0.000) 26.845 5.415 ( 3.653 -9.885 0.000) 10.538 5.804 ( -16.072 0.838 0.000) 16.094 5.996 ( -0.020 0.078 0.000) 0.080 6.125 ( -9.060 3.215 0.000) 9.613 6.295 ( 10.456 -5.453 0.000) 11.793 6.630 ( -3.389 -1.537 0.000) 3.721 6.822 ( 1.015 12.427 0.000) 12.468 7.027 ( -9.773 5.743 0.000) 11.335 7.771 ( 8.061 -14.008 0.000) 16.161 7.805 ( 5.852 -16.828 0.000) 17.817 8.753 ( 7.298 2.370 0.000) 7.673 8.886 ( 8.445 -0.522 0.000) 8.461 8.937 ( 0.840 1.685 0.000) 1.883 9.113 ( 4.895 -1.586 0.000) 5.145 9.315 ( -0.935 4.727 0.000) 4.819 9.554 ( -3.026 10.609 0.000) 11.032 9.805 ( 3.320 1.092 0.000) 3.495 10.050 ( 6.637 -16.690 0.000) 17.961 10.199 ( -14.193 5.720 0.000) 15.303 10.232 ( -2.783 -5.790 0.000) 6.424 10.315 ( -5.203 -7.028 0.000) 8.744 10.485 ( -11.997 0.597 0.000) 12.012 11.085 ( 6.131 11.603 0.000) 13.123 11.304 ( -5.108 8.263 0.000) 9.715 11.459 ( 4.048 8.243 0.000) 9.183 11.646 ( -4.805 7.468 0.000) 8.880 12.063 ( 5.538 -6.227 0.000) 8.333 12.160 ( 0.083 -0.590 0.000) 0.596 12.861 ( 3.443 -12.577 0.000) 13.040 13.017 ( -3.957 -13.415 0.000) 13.986 14.081 ( 6.395 23.317 0.000) 24.178 14.372 ( -8.113 18.449 0.000) 20.154 15.216 ( 4.192 -8.695 0.000) 9.653 15.324 ( -1.178 -13.009 0.000) 13.062 ======================= Grid point 22 (15/140) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -0.680 7.622 0.000) 7.652 2.242 ( 0.680 7.622 0.000) 7.652 2.607 ( -0.885 16.098 0.000) 16.123 2.607 ( 0.885 16.098 0.000) 16.123 2.934 ( -6.184 -8.776 0.000) 10.736 2.934 ( 6.184 -8.776 0.000) 10.736 3.890 ( -2.627 -14.237 0.000) 14.477 3.890 ( 2.627 -14.237 0.000) 14.477 4.310 ( -10.743 7.238 0.000) 12.954 4.310 ( 10.743 7.238 0.000) 12.954 4.549 ( -11.095 -0.763 0.000) 11.121 4.549 ( 11.095 -0.763 0.000) 11.121 4.951 ( -13.451 3.505 0.000) 13.900 4.951 ( 13.451 3.505 0.000) 13.900 5.535 ( -9.440 -5.014 0.000) 10.689 5.535 ( 9.440 -5.014 0.000) 10.689 6.010 ( -2.616 2.027 0.000) 3.309 6.010 ( 2.616 2.027 0.000) 3.309 6.509 ( -9.080 -7.222 0.000) 11.602 6.509 ( 9.080 -7.222 0.000) 11.602 6.875 ( -4.850 12.908 0.000) 13.789 6.875 ( 4.850 12.908 0.000) 13.789 7.862 ( -0.710 -16.388 0.000) 16.403 7.862 ( 0.710 -16.388 0.000) 16.403 8.882 ( -5.189 1.631 0.000) 5.439 8.882 ( 5.189 1.631 0.000) 5.439 9.042 ( -7.149 -1.492 0.000) 7.303 9.042 ( 7.149 -1.492 0.000) 7.303 9.444 ( -8.057 9.717 0.000) 12.623 9.444 ( 8.057 9.717 0.000) 12.623 9.944 ( -10.350 3.532 0.000) 10.936 9.944 ( 10.350 3.532 0.000) 10.936 10.180 ( -5.658 -12.281 0.000) 13.522 10.180 ( 5.658 -12.281 0.000) 13.522 10.287 ( -6.093 -3.040 0.000) 6.809 10.287 ( 6.093 -3.040 0.000) 6.809 11.199 ( -5.363 10.384 0.000) 11.687 11.199 ( 5.363 10.384 0.000) 11.687 11.550 ( -4.779 7.980 0.000) 9.301 11.550 ( 4.779 7.980 0.000) 9.301 12.141 ( -2.288 -4.079 0.000) 4.677 12.141 ( 2.288 -4.079 0.000) 4.677 12.936 ( -4.002 -12.733 0.000) 13.347 12.936 ( 4.002 -12.733 0.000) 13.347 14.218 ( -7.264 21.029 0.000) 22.248 14.218 ( 7.264 21.029 0.000) 22.248 15.286 ( -2.674 -11.038 0.000) 11.358 15.286 ( 2.674 -11.038 0.000) 11.358 ======================= Grid point 27 (16/140) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 0.000 24.144 0.000) 24.144 1.750 ( 0.000 24.672 0.000) 24.672 2.198 ( 0.000 -18.917 0.000) 18.917 2.228 ( 0.000 -20.097 0.000) 20.097 3.217 ( 0.000 33.557 0.000) 33.557 3.478 ( 0.000 17.122 0.000) 17.122 3.483 ( 0.000 -0.505 0.000) 0.505 3.537 ( 0.000 -5.565 0.000) 5.565 3.562 ( 0.000 -9.562 0.000) 9.562 4.070 ( 0.000 -25.742 0.000) 25.742 4.185 ( 0.000 11.424 0.000) 11.424 4.488 ( 0.000 -17.205 0.000) 17.205 5.140 ( 0.000 -0.991 0.000) 0.991 5.175 ( 0.000 -2.454 0.000) 2.454 5.756 ( 0.000 11.490 0.000) 11.490 5.991 ( 0.000 -9.985 0.000) 9.985 6.573 ( 0.000 2.556 0.000) 2.556 6.589 ( 0.000 1.109 0.000) 1.109 6.781 ( 0.000 3.441 0.000) 3.441 6.880 ( 0.000 -5.683 0.000) 5.683 6.979 ( 0.000 7.826 0.000) 7.826 7.178 ( 0.000 -11.093 0.000) 11.093 7.401 ( 0.000 2.061 0.000) 2.061 7.461 ( 0.000 -3.145 0.000) 3.145 8.205 ( 0.000 5.176 0.000) 5.176 8.311 ( 0.000 -4.652 0.000) 4.652 8.514 ( 0.000 1.537 0.000) 1.537 8.532 ( 0.000 0.217 0.000) 0.217 9.634 ( 0.000 -0.612 0.000) 0.612 9.671 ( 0.000 -3.687 0.000) 3.687 9.757 ( 0.000 5.939 0.000) 5.939 9.863 ( 0.000 -3.424 0.000) 3.424 10.468 ( 0.000 -0.207 0.000) 0.207 10.479 ( 0.000 -0.929 0.000) 0.929 10.971 ( 0.000 3.425 0.000) 3.425 10.984 ( 0.000 2.319 0.000) 2.319 10.996 ( 0.000 12.092 0.000) 12.092 11.278 ( 0.000 -14.753 0.000) 14.753 11.614 ( 0.000 7.349 0.000) 7.349 11.767 ( 0.000 -6.702 0.000) 6.702 11.916 ( 0.000 22.206 0.000) 22.206 12.371 ( 0.000 -20.079 0.000) 20.079 12.445 ( 0.000 14.341 0.000) 14.341 12.783 ( 0.000 -16.893 0.000) 16.893 14.424 ( 0.000 25.808 0.000) 25.808 14.933 ( 0.000 1.650 0.000) 1.650 14.933 ( 0.000 -21.904 0.000) 21.904 14.954 ( 0.000 -0.254 0.000) 0.254 ======================= Grid point 28 (17/140) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 7.240 22.365 0.000) 23.507 1.862 ( 10.258 24.608 0.000) 26.660 2.243 ( 4.401 -17.849 0.000) 18.384 2.342 ( 10.373 -20.227 0.000) 22.732 3.310 ( 7.223 21.230 0.000) 22.425 3.413 ( -5.019 4.608 0.000) 6.814 3.436 ( -2.315 19.728 0.000) 19.864 3.569 ( 0.798 -3.238 0.000) 3.335 3.579 ( 2.018 -10.338 0.000) 10.533 4.093 ( 2.699 -23.476 0.000) 23.631 4.210 ( 2.495 11.054 0.000) 11.332 4.495 ( 0.757 -15.916 0.000) 15.934 5.106 ( -3.879 0.277 0.000) 3.889 5.152 ( -1.287 -3.883 0.000) 4.091 5.803 ( 4.377 8.881 0.000) 9.901 5.986 ( -0.553 -7.746 0.000) 7.766 6.446 ( -11.792 3.736 0.000) 12.369 6.487 ( -10.125 -0.157 0.000) 10.126 6.737 ( -5.278 1.649 0.000) 5.529 6.776 ( -9.694 -1.246 0.000) 9.774 6.994 ( 1.460 8.914 0.000) 9.033 7.218 ( 3.885 -12.401 0.000) 12.995 7.324 ( -1.296 1.485 0.000) 1.971 7.382 ( -6.364 -3.632 0.000) 7.328 8.470 ( 20.418 0.469 0.000) 20.423 8.498 ( 15.713 -1.700 0.000) 15.804 8.556 ( 4.111 2.002 0.000) 4.572 8.583 ( 4.802 -0.257 0.000) 4.809 9.582 ( -4.560 1.093 0.000) 4.689 9.658 ( -1.495 -6.016 0.000) 6.199 9.746 ( -0.850 5.788 0.000) 5.850 9.842 ( -1.817 -2.714 0.000) 3.266 10.402 ( -5.643 0.215 0.000) 5.647 10.436 ( -4.403 -2.451 0.000) 5.039 10.868 ( -9.002 5.123 0.000) 10.358 10.926 ( -6.643 -0.073 0.000) 6.644 11.059 ( 5.564 11.429 0.000) 12.712 11.312 ( 3.187 -12.289 0.000) 12.696 11.599 ( -1.465 7.551 0.000) 7.692 11.753 ( -1.367 -6.449 0.000) 6.592 11.956 ( 3.756 20.408 0.000) 20.750 12.394 ( 2.167 -19.718 0.000) 19.837 12.425 ( -1.792 15.109 0.000) 15.215 12.775 ( -0.937 -17.237 0.000) 17.262 14.443 ( 1.846 25.402 0.000) 25.469 14.892 ( -3.414 4.798 0.000) 5.888 14.943 ( 0.925 -21.465 0.000) 21.485 14.968 ( 0.892 -2.750 0.000) 2.891 ======================= Grid point 29 (18/140) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 11.955 18.089 0.000) 21.683 2.112 ( 13.580 23.426 0.000) 27.077 2.366 ( 7.660 -15.136 0.000) 16.964 2.580 ( 11.536 -19.912 0.000) 23.012 3.264 ( -7.846 10.661 0.000) 13.237 3.296 ( -6.663 11.349 0.000) 13.160 3.480 ( -0.463 -7.469 0.000) 7.483 3.595 ( -0.531 -15.698 0.000) 15.707 3.731 ( 18.400 24.414 0.000) 30.571 4.199 ( 8.090 -15.626 0.000) 17.596 4.283 ( 4.680 9.394 0.000) 10.496 4.519 ( 1.582 -12.957 0.000) 13.053 5.007 ( -5.142 3.762 0.000) 6.371 5.135 ( -0.278 -8.527 0.000) 8.532 5.888 ( -1.331 3.617 0.000) 3.854 5.953 ( -1.935 -1.278 0.000) 2.319 6.154 ( -14.922 3.622 0.000) 15.356 6.225 ( -12.851 -2.311 0.000) 13.058 6.497 ( -13.302 7.068 0.000) 15.064 6.642 ( -6.838 -5.255 0.000) 8.624 7.038 ( 2.939 11.735 0.000) 12.098 7.273 ( -3.582 3.541 0.000) 5.037 7.322 ( 6.109 -15.027 0.000) 16.221 7.384 ( 5.133 -6.945 0.000) 8.636 8.668 ( 6.721 2.577 0.000) 7.198 8.709 ( 7.409 -1.062 0.000) 7.485 8.829 ( 14.891 1.458 0.000) 14.962 8.856 ( 16.083 -1.403 0.000) 16.144 9.477 ( -4.872 4.181 0.000) 6.419 9.634 ( 0.382 -10.680 0.000) 10.687 9.740 ( 0.677 5.725 0.000) 5.765 9.811 ( -0.533 -0.695 0.000) 0.875 10.262 ( -7.984 -0.551 0.000) 8.003 10.315 ( -7.377 -4.643 0.000) 8.716 10.632 ( -14.080 6.051 0.000) 15.325 10.726 ( -12.843 -2.474 0.000) 13.079 11.188 ( 6.784 10.477 0.000) 12.482 11.394 ( 4.718 -8.049 0.000) 9.330 11.557 ( -2.671 8.253 0.000) 8.674 11.715 ( -2.358 -5.876 0.000) 6.331 12.052 ( 5.398 16.905 0.000) 17.746 12.381 ( -2.528 15.516 0.000) 15.721 12.452 ( 3.423 -18.857 0.000) 19.165 12.741 ( -2.436 -17.545 0.000) 17.713 14.495 ( 3.246 24.148 0.000) 24.365 14.812 ( -4.235 10.020 0.000) 10.878 14.967 ( 1.392 -20.160 0.000) 20.208 14.988 ( 1.036 -6.981 0.000) 7.058 ======================= Grid point 30 (19/140) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 12.412 13.199 0.000) 18.119 2.364 ( 10.274 18.423 0.000) 21.094 2.535 ( 8.655 -11.959 0.000) 14.762 2.738 ( 2.988 -16.125 0.000) 16.399 3.096 ( -7.665 16.174 0.000) 17.898 3.150 ( -7.539 17.448 0.000) 19.007 3.458 ( -0.193 -17.570 0.000) 17.571 3.559 ( -2.908 -19.736 0.000) 19.949 4.159 ( 21.281 15.617 0.000) 26.396 4.384 ( 4.815 6.602 0.000) 8.171 4.391 ( 9.251 -5.987 0.000) 11.020 4.548 ( 0.755 -9.046 0.000) 9.077 4.944 ( 0.622 7.645 0.000) 7.670 5.167 ( 4.666 -12.448 0.000) 13.294 5.566 ( -22.931 9.702 0.000) 24.899 5.747 ( -19.734 -6.526 0.000) 20.785 6.052 ( 2.411 5.187 0.000) 5.720 6.175 ( 5.470 -5.859 0.000) 8.016 6.268 ( -9.289 9.617 0.000) 13.371 6.488 ( -8.206 -9.977 0.000) 12.919 7.107 ( 3.671 14.642 0.000) 15.095 7.223 ( -2.005 11.347 0.000) 11.523 7.443 ( 5.272 -16.901 0.000) 17.704 7.482 ( 3.716 -13.045 0.000) 13.563 8.809 ( 6.910 2.821 0.000) 7.464 8.861 ( 7.405 -1.919 0.000) 7.650 8.990 ( 1.044 3.185 0.000) 3.352 9.060 ( 2.199 -3.149 0.000) 3.841 9.469 ( 6.327 9.734 0.000) 11.609 9.721 ( 8.305 -13.983 0.000) 16.263 9.765 ( 0.278 8.611 0.000) 8.616 9.850 ( 5.083 1.331 0.000) 5.254 10.109 ( -6.336 -3.794 0.000) 7.385 10.155 ( -7.407 -6.943 0.000) 10.152 10.329 ( -15.407 6.062 0.000) 16.556 10.441 ( -14.697 -4.180 0.000) 15.280 11.316 ( 5.741 9.962 0.000) 11.498 11.492 ( 4.887 -5.499 0.000) 7.357 11.495 ( -3.489 9.134 0.000) 9.778 11.659 ( -3.260 -5.315 0.000) 6.235 12.159 ( 5.122 14.364 0.000) 15.250 12.324 ( -3.158 14.611 0.000) 14.948 12.526 ( 3.872 -17.981 0.000) 18.393 12.680 ( -3.517 -17.485 0.000) 17.835 14.568 ( 3.909 22.002 0.000) 22.347 14.728 ( -4.071 14.960 0.000) 15.504 14.994 ( 1.133 -18.028 0.000) 18.063 15.005 ( 0.614 -11.367 0.000) 11.384 ======================= Grid point 31 (20/140) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -3.513 11.272 0.000) 11.807 2.448 ( 3.513 11.272 0.000) 11.807 2.692 ( -6.357 -10.861 0.000) 12.585 2.692 ( 6.357 -10.861 0.000) 12.585 3.032 ( -2.462 20.586 0.000) 20.733 3.032 ( 2.462 20.586 0.000) 20.733 3.492 ( -3.181 -21.618 0.000) 21.850 3.492 ( 3.181 -21.618 0.000) 21.850 4.435 ( -2.601 4.640 0.000) 5.319 4.435 ( 2.601 4.640 0.000) 5.319 4.514 ( -4.460 -2.795 0.000) 5.263 4.514 ( 4.460 -2.795 0.000) 5.263 5.125 ( -18.060 11.508 0.000) 21.415 5.125 ( 18.060 11.508 0.000) 21.415 5.370 ( -15.809 -10.433 0.000) 18.941 5.370 ( 15.809 -10.433 0.000) 18.941 6.125 ( -5.167 8.184 0.000) 9.678 6.125 ( 5.167 8.184 0.000) 9.678 6.322 ( -8.187 -9.704 0.000) 12.696 6.322 ( 8.187 -9.704 0.000) 12.696 7.175 ( -2.943 15.124 0.000) 15.408 7.175 ( 2.943 15.124 0.000) 15.408 7.511 ( -1.088 -16.470 0.000) 16.506 7.511 ( 1.088 -16.470 0.000) 16.506 8.934 ( -5.255 3.011 0.000) 6.057 8.934 ( 5.255 3.011 0.000) 6.057 8.997 ( -5.935 -2.724 0.000) 6.530 8.997 ( 5.935 -2.724 0.000) 6.530 9.665 ( -9.871 11.146 0.000) 14.888 9.665 ( 9.871 11.146 0.000) 14.888 9.913 ( -8.331 -12.041 0.000) 14.643 9.913 ( 8.331 -12.041 0.000) 14.643 10.052 ( -10.148 5.633 0.000) 11.607 10.052 ( 10.148 5.633 0.000) 11.607 10.182 ( -9.553 -6.126 0.000) 11.349 10.182 ( 9.553 -6.126 0.000) 11.349 11.417 ( -4.402 9.686 0.000) 10.639 11.417 ( 4.402 9.686 0.000) 10.639 11.584 ( -4.232 -4.945 0.000) 6.509 11.584 ( 4.232 -4.945 0.000) 6.509 12.252 ( -4.099 13.760 0.000) 14.358 12.252 ( 4.099 13.760 0.000) 14.358 12.604 ( -3.919 -17.508 0.000) 17.942 12.604 ( 3.919 -17.508 0.000) 17.942 14.648 ( -4.006 18.954 0.000) 19.373 14.648 ( 4.006 18.954 0.000) 19.373 15.009 ( -0.290 -15.100 0.000) 15.102 15.009 ( 0.290 -15.100 0.000) 15.102 ======================= Grid point 63 (21/140) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.000 0.000 28.265) 28.265 0.576 ( 0.000 0.000 29.537) 29.537 0.806 ( 0.000 0.000 41.135) 41.135 2.796 ( 0.000 0.000 2.465) 2.465 2.854 ( 0.000 0.000 4.323) 4.323 3.329 ( 0.000 0.000 6.639) 6.639 3.820 ( 0.000 0.000 -10.244) 10.244 3.834 ( 0.000 0.000 3.358) 3.358 3.946 ( 0.000 0.000 4.160) 4.160 4.330 ( 0.000 0.000 8.910) 8.910 5.090 ( 0.000 0.000 -6.084) 6.084 5.281 ( 0.000 0.000 -5.042) 5.042 5.492 ( 0.000 0.000 16.406) 16.406 5.615 ( 0.000 0.000 -8.480) 8.480 5.727 ( 0.000 0.000 -6.490) 6.490 5.947 ( 0.000 0.000 1.791) 1.791 6.243 ( 0.000 0.000 -3.376) 3.376 6.248 ( 0.000 0.000 4.067) 4.067 6.716 ( 0.000 0.000 -1.464) 1.464 6.814 ( 0.000 0.000 0.204) 0.204 6.882 ( 0.000 0.000 -0.679) 0.679 7.177 ( 0.000 0.000 -2.425) 2.425 7.438 ( 0.000 0.000 2.006) 2.006 7.511 ( 0.000 0.000 0.650) 0.650 8.214 ( 0.000 0.000 2.887) 2.887 8.369 ( 0.000 0.000 -4.701) 4.701 8.555 ( 0.000 0.000 3.660) 3.660 8.921 ( 0.000 0.000 -4.131) 4.131 9.266 ( 0.000 0.000 -14.120) 14.120 9.558 ( 0.000 0.000 -4.431) 4.431 9.972 ( 0.000 0.000 1.759) 1.759 10.307 ( 0.000 0.000 -4.106) 4.106 10.420 ( 0.000 0.000 -3.681) 3.681 10.486 ( 0.000 0.000 -5.508) 5.508 10.498 ( 0.000 0.000 0.197) 0.197 10.646 ( 0.000 0.000 5.640) 5.640 11.078 ( 0.000 0.000 -2.155) 2.155 11.215 ( 0.000 0.000 6.590) 6.590 11.338 ( 0.000 0.000 -3.964) 3.964 11.973 ( 0.000 0.000 -0.583) 0.583 12.055 ( 0.000 0.000 -12.390) 12.390 12.069 ( 0.000 0.000 3.051) 3.051 12.654 ( 0.000 0.000 -0.761) 0.761 12.736 ( 0.000 0.000 0.718) 0.718 13.533 ( 0.000 0.000 3.695) 3.695 14.442 ( 0.000 0.000 8.505) 8.505 14.874 ( 0.000 0.000 3.727) 3.727 15.635 ( 0.000 0.000 -4.624) 4.624 ======================= Grid point 64 (22/140) ======================= q-point: ( 0.12 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 19.406 0.000 7.649) 20.859 0.800 ( 20.861 0.000 19.100) 28.284 1.483 ( 42.226 0.000 30.260) 51.949 2.793 ( 1.016 0.000 -0.641) 1.201 2.913 ( 2.814 0.000 5.523) 6.199 3.341 ( 2.587 0.000 6.281) 6.793 3.536 ( -17.619 0.000 -2.597) 17.809 3.926 ( -1.502 0.000 4.050) 4.320 3.985 ( 5.138 0.000 -2.028) 5.523 4.296 ( -2.780 0.000 7.389) 7.895 4.496 ( -27.692 0.000 35.226) 44.808 5.311 ( -6.761 0.000 13.434) 15.039 5.346 ( 4.676 0.000 -8.826) 9.988 5.675 ( 5.485 0.000 -3.003) 6.253 5.730 ( -0.293 0.000 -5.804) 5.811 5.944 ( 0.582 0.000 -0.473) 0.750 6.112 ( -14.338 0.000 -0.115) 14.338 6.260 ( 1.268 0.000 4.330) 4.512 6.275 ( -12.002 0.000 1.956) 12.161 6.750 ( -5.803 0.000 0.314) 5.811 6.823 ( -13.978 0.000 0.623) 13.992 7.370 ( 19.100 0.000 -12.080) 22.599 7.435 ( -7.099 0.000 0.440) 7.113 7.952 ( 15.455 0.000 -6.926) 16.936 8.243 ( 3.828 0.000 -1.986) 4.313 8.465 ( 7.766 0.000 -2.011) 8.022 8.651 ( 9.133 0.000 4.921) 10.374 9.126 ( 8.656 0.000 -17.880) 19.865 9.248 ( -1.689 0.000 -13.341) 13.448 9.492 ( -6.379 0.000 -3.522) 7.286 9.948 ( -0.998 0.000 1.935) 2.178 10.296 ( -1.121 0.000 -4.224) 4.370 10.372 ( -4.574 0.000 -3.460) 5.736 10.451 ( -3.477 0.000 -4.997) 6.087 10.527 ( 3.181 0.000 -0.138) 3.184 10.627 ( -1.666 0.000 5.492) 5.739 11.074 ( -0.050 0.000 -2.500) 2.501 11.124 ( -8.283 0.000 6.626) 10.607 11.303 ( -4.085 0.000 -2.053) 4.572 11.518 ( -10.901 0.000 11.846) 16.099 12.134 ( 5.841 0.000 2.803) 6.478 12.340 ( 8.812 0.000 -9.473) 12.938 12.724 ( -1.214 0.000 0.751) 1.427 12.880 ( 9.103 0.000 -17.646) 19.856 13.624 ( 4.755 0.000 5.926) 7.597 14.273 ( -9.298 0.000 16.686) 19.102 15.068 ( 10.365 0.000 -6.556) 12.264 15.630 ( -0.521 0.000 -4.579) 4.609 ======================= Grid point 65 (23/140) ======================= q-point: ( 0.25 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 29.521 0.000 -5.842) 30.093 1.270 ( 24.803 0.000 11.391) 27.293 2.316 ( 36.369 0.000 20.381) 41.690 2.834 ( 3.468 0.000 -0.602) 3.519 2.924 ( 0.873 0.000 2.279) 2.441 3.144 ( -21.043 0.000 -0.028) 21.043 3.424 ( 2.432 0.000 5.344) 5.871 3.946 ( 6.257 0.000 3.429) 7.135 4.055 ( 2.385 0.000 -0.545) 2.446 4.238 ( -2.855 0.000 4.519) 5.345 4.283 ( 1.218 0.000 21.638) 21.673 5.166 ( -7.785 0.000 10.106) 12.757 5.422 ( 3.000 0.000 -10.811) 11.220 5.582 ( -19.409 0.000 -0.069) 19.409 5.734 ( -1.488 0.000 3.335) 3.652 5.858 ( -7.823 0.000 -3.127) 8.425 6.034 ( -10.687 0.000 0.300) 10.691 6.053 ( 10.656 0.000 -5.633) 12.053 6.306 ( 3.910 0.000 5.137) 6.456 6.559 ( -12.543 0.000 1.276) 12.607 6.611 ( -7.433 0.000 0.475) 7.449 7.252 ( -10.675 0.000 -0.522) 10.688 7.745 ( 18.206 0.000 -10.405) 20.970 8.159 ( 7.964 0.000 -0.668) 7.992 8.365 ( 7.798 0.000 -6.429) 10.106 8.637 ( 8.585 0.000 -3.393) 9.231 8.880 ( 12.436 0.000 7.715) 14.635 9.167 ( -2.530 0.000 -14.101) 14.326 9.206 ( -2.183 0.000 -9.882) 10.120 9.329 ( -9.176 0.000 -3.457) 9.806 9.931 ( -1.031 0.000 0.233) 1.057 10.249 ( -7.335 0.000 -2.511) 7.753 10.260 ( -2.519 0.000 -4.498) 5.155 10.351 ( -6.246 0.000 -3.578) 7.198 10.590 ( -1.700 0.000 5.090) 5.366 10.625 ( 6.202 0.000 -0.713) 6.243 10.924 ( -10.705 0.000 6.260) 12.401 11.071 ( -1.178 0.000 -3.695) 3.878 11.218 ( -2.351 0.000 2.146) 3.183 11.423 ( -2.179 0.000 5.231) 5.666 12.272 ( 7.303 0.000 2.270) 7.648 12.528 ( 10.200 0.000 -8.127) 13.042 12.687 ( -2.487 0.000 0.852) 2.629 12.982 ( 2.376 0.000 -16.900) 17.066 13.679 ( 1.595 0.000 12.085) 12.190 14.107 ( -7.760 0.000 13.684) 15.732 15.244 ( 7.770 0.000 -5.054) 9.269 15.612 ( -1.407 0.000 -4.442) 4.659 ======================= Grid point 66 (24/140) ======================= q-point: ( 0.38 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 27.069 0.000 -4.645) 27.465 1.768 ( 24.548 0.000 7.361) 25.628 2.486 ( -12.607 0.000 2.892) 12.935 2.707 ( -22.376 0.000 2.427) 22.507 3.002 ( 6.812 0.000 -1.357) 6.946 3.226 ( 14.069 0.000 3.565) 14.514 3.459 ( 16.847 0.000 10.270) 19.731 4.096 ( 1.884 0.000 0.382) 1.922 4.166 ( 10.819 0.000 3.502) 11.372 4.184 ( -2.523 0.000 2.251) 3.381 4.402 ( 8.395 0.000 7.163) 11.036 5.021 ( -10.288 0.000 7.854) 12.943 5.087 ( -20.676 0.000 7.976) 22.161 5.481 ( 3.245 0.000 -7.547) 8.215 5.563 ( -19.871 0.000 2.447) 20.021 5.658 ( -4.953 0.000 0.829) 5.022 6.002 ( 4.441 0.000 -1.719) 4.762 6.246 ( 6.567 0.000 -3.273) 7.337 6.324 ( -10.764 0.000 0.379) 10.771 6.451 ( 3.249 0.000 2.441) 4.064 6.485 ( 2.862 0.000 0.505) 2.906 7.017 ( -12.615 0.000 -1.228) 12.675 8.081 ( 14.635 0.000 -7.275) 16.343 8.291 ( 4.547 0.000 0.176) 4.550 8.536 ( 8.786 0.000 -10.074) 13.367 8.756 ( 1.684 0.000 -9.661) 9.806 9.085 ( -4.429 0.000 -11.752) 12.559 9.104 ( 8.916 0.000 9.214) 12.822 9.150 ( -7.952 0.000 -5.863) 9.880 9.190 ( 1.247 0.000 -0.438) 1.322 9.921 ( 0.659 0.000 0.608) 0.896 10.097 ( -7.356 0.000 -0.877) 7.408 10.196 ( -3.606 0.000 -5.198) 6.326 10.224 ( -5.625 0.000 -1.289) 5.771 10.572 ( 0.170 0.000 4.491) 4.495 10.728 ( -8.220 0.000 4.977) 9.609 10.757 ( 6.640 0.000 -1.113) 6.732 11.001 ( -5.160 0.000 -2.637) 5.795 11.236 ( 3.198 0.000 1.786) 3.663 11.377 ( -2.738 0.000 2.845) 3.948 12.413 ( 6.614 0.000 1.738) 6.838 12.624 ( -3.853 0.000 1.035) 3.990 12.733 ( 9.747 0.000 -8.830) 13.152 12.987 ( -1.967 0.000 -14.353) 14.487 13.721 ( 3.168 0.000 13.589) 13.954 13.953 ( -7.551 0.000 11.475) 13.736 15.386 ( 6.385 0.000 -4.087) 7.580 15.571 ( -2.798 0.000 -4.233) 5.074 ======================= Grid point 67 (25/140) ======================= q-point: (-0.50 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -22.084 0.000 -1.472) 22.133 2.124 ( 22.084 0.000 -1.472) 22.133 2.249 ( -23.426 0.000 4.716) 23.896 2.249 ( 23.426 0.000 4.716) 23.896 3.154 ( -7.927 0.000 -0.151) 7.929 3.154 ( 7.927 0.000 -0.151) 7.929 4.062 ( -25.313 0.000 6.660) 26.175 4.062 ( 25.313 0.000 6.660) 26.175 4.136 ( -2.217 0.000 1.043) 2.450 4.136 ( 2.217 0.000 1.043) 2.450 4.608 ( -14.524 0.000 3.140) 14.860 4.608 ( 14.524 0.000 3.140) 14.860 5.175 ( -16.062 0.000 9.787) 18.809 5.175 ( 16.062 0.000 9.787) 18.809 5.559 ( -4.570 0.000 -3.137) 5.543 5.559 ( 4.570 0.000 -3.137) 5.543 6.133 ( -8.198 0.000 -1.002) 8.259 6.133 ( 8.198 0.000 -1.002) 8.259 6.353 ( -5.115 0.000 -0.191) 5.118 6.353 ( 5.115 0.000 -0.191) 5.118 6.748 ( -14.139 0.000 -0.794) 14.161 6.748 ( 14.139 0.000 -0.794) 14.161 8.293 ( -5.440 0.000 -2.631) 6.043 8.293 ( 5.440 0.000 -2.631) 6.043 8.696 ( -6.511 0.000 -12.539) 14.129 8.696 ( 6.511 0.000 -12.539) 14.129 9.045 ( -1.643 0.000 -9.453) 9.595 9.045 ( 1.643 0.000 -9.453) 9.595 9.210 ( -1.441 0.000 7.426) 7.565 9.210 ( 1.441 0.000 7.426) 7.565 9.973 ( -4.601 0.000 0.478) 4.625 9.973 ( 4.601 0.000 0.478) 4.625 10.155 ( -0.664 0.000 -2.828) 2.905 10.155 ( 0.664 0.000 -2.828) 2.905 10.608 ( -3.707 0.000 4.080) 5.513 10.608 ( 3.707 0.000 4.080) 5.513 10.886 ( -6.161 0.000 -1.574) 6.359 10.886 ( 6.161 0.000 -1.574) 6.359 11.311 ( -3.782 0.000 1.736) 4.161 11.311 ( 3.782 0.000 1.736) 4.161 12.532 ( -5.286 0.000 1.322) 5.448 12.532 ( 5.286 0.000 1.322) 5.448 12.901 ( -6.573 0.000 -10.993) 12.808 12.901 ( 6.573 0.000 -10.993) 12.808 13.814 ( -6.029 0.000 11.997) 13.427 13.814 ( 6.029 0.000 11.997) 13.427 15.497 ( -4.598 0.000 -4.020) 6.108 15.497 ( 4.598 0.000 -4.020) 6.108 ======================= Grid point 72 (26/140) ======================= q-point: ( 0.00 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.000 20.538 19.406) 28.256 0.829 ( 0.000 20.059 19.671) 28.095 1.401 ( 0.000 44.086 21.961) 49.253 2.760 ( 0.000 -4.033 1.674) 4.367 2.786 ( 0.000 -6.375 4.560) 7.838 3.308 ( 0.000 -0.741 6.596) 6.638 3.758 ( 0.000 -7.169 4.369) 8.395 3.773 ( 0.000 -5.230 -7.996) 9.554 3.905 ( 0.000 -3.074 3.521) 4.674 4.346 ( 0.000 1.044 5.953) 6.044 4.398 ( 0.000 -25.666 31.149) 40.361 5.323 ( 0.000 3.440 -3.801) 5.126 5.338 ( 0.000 -17.627 -3.384) 17.949 5.427 ( 0.000 -0.054 17.320) 17.321 5.599 ( 0.000 -11.313 -0.849) 11.345 6.122 ( 0.000 5.835 -4.952) 7.653 6.289 ( 0.000 4.674 -6.493) 8.000 6.289 ( 0.000 6.243 -3.845) 7.332 6.707 ( 0.000 -0.375 -2.021) 2.056 6.825 ( 0.000 0.975 1.090) 1.463 7.100 ( 0.000 -3.549 -3.554) 5.022 7.381 ( 0.000 11.512 -11.175) 16.044 7.421 ( 0.000 -1.334 1.917) 2.335 7.572 ( 0.000 6.649 -4.209) 7.869 8.015 ( 0.000 -12.053 2.554) 12.321 8.376 ( 0.000 0.623 -3.843) 3.893 8.533 ( 0.000 -1.984 3.088) 3.670 8.652 ( 0.000 -8.712 9.477) 12.873 9.459 ( 0.000 6.760 -19.277) 20.428 9.540 ( 0.000 -0.801 -4.946) 5.010 9.913 ( 0.000 -4.299 1.394) 4.519 10.242 ( 0.000 -15.298 6.060) 16.455 10.442 ( 0.000 9.880 -3.931) 10.633 10.466 ( 0.000 2.153 -4.208) 4.727 10.492 ( 0.000 0.172 -1.266) 1.278 10.742 ( 0.000 7.880 6.100) 9.966 10.864 ( 0.000 -1.571 19.314) 19.378 11.154 ( 0.000 7.453 -3.001) 8.034 11.381 ( 0.000 2.016 -2.102) 2.913 11.883 ( 0.000 -16.732 -14.133) 21.902 11.950 ( 0.000 -2.040 -0.740) 2.170 12.117 ( 0.000 4.657 4.395) 6.403 12.835 ( 0.000 4.599 -5.070) 6.846 13.093 ( 0.000 9.165 -13.023) 15.924 13.604 ( 0.000 6.672 7.879) 10.325 14.696 ( 0.000 13.290 -8.417) 15.731 14.886 ( 0.000 1.059 3.341) 3.505 15.548 ( 0.000 -8.126 -4.483) 9.281 ======================= Grid point 73 (27/140) ======================= q-point: ( 0.12 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 10.181 21.235 6.729) 24.492 1.077 ( 15.856 19.802 16.238) 30.120 1.829 ( 34.021 30.368 21.112) 50.253 2.745 ( 1.078 -5.225 -0.781) 5.392 2.882 ( 5.176 -3.127 5.235) 7.999 3.297 ( -0.169 -2.688 5.746) 6.346 3.487 ( -15.804 -4.285 -0.994) 16.405 3.870 ( -1.037 -5.156 3.463) 6.297 3.959 ( 6.223 -2.991 -0.279) 6.910 4.276 ( -5.735 -7.856 22.251) 24.284 4.339 ( -2.357 -0.699 10.924) 11.198 5.215 ( -3.420 -11.644 -5.562) 13.350 5.299 ( -7.758 -0.827 14.270) 16.263 5.562 ( 8.390 -6.560 -3.345) 11.163 5.605 ( 4.353 -6.803 0.101) 8.077 6.100 ( -8.009 0.905 -2.845) 8.548 6.132 ( -5.995 8.364 -4.203) 11.116 6.265 ( -5.995 5.223 -4.623) 9.197 6.565 ( -12.175 13.121 4.297) 18.408 6.761 ( -4.719 1.590 0.075) 4.980 6.800 ( -15.383 -1.878 0.659) 15.511 7.344 ( 13.123 -1.540 -5.913) 14.476 7.458 ( -6.273 0.931 -1.788) 6.589 7.806 ( 8.079 -12.248 -2.694) 14.918 8.263 ( 13.138 1.429 -8.361) 15.638 8.473 ( 7.888 0.803 -2.300) 8.256 8.616 ( 8.928 -2.934 2.648) 9.763 8.823 ( 12.989 -13.274 -0.166) 18.572 9.411 ( -3.885 6.543 -14.617) 16.479 9.501 ( -4.534 0.172 -6.617) 8.023 9.877 ( -2.359 -4.466 1.144) 5.179 10.262 ( 0.869 -14.213 -0.721) 14.258 10.428 ( -3.414 2.463 -3.395) 5.408 10.436 ( -1.408 6.444 -3.075) 7.278 10.545 ( 5.118 4.259 -2.594) 7.146 10.658 ( -6.575 3.885 9.048) 11.840 10.862 ( -1.758 -2.014 14.910) 15.148 11.155 ( 0.399 7.404 -2.817) 7.932 11.369 ( -1.712 2.317 -2.026) 3.522 11.700 ( -10.941 2.330 -6.993) 13.193 12.069 ( 6.951 -11.345 -1.746) 13.419 12.131 ( 2.266 -0.696 4.066) 4.707 12.858 ( 1.857 3.305 -4.360) 5.777 13.102 ( 0.691 9.128 -12.806) 15.741 13.644 ( 2.896 4.311 9.599) 10.914 14.484 ( -12.599 14.746 4.750) 19.968 15.041 ( 8.585 -2.039 -4.019) 9.696 15.545 ( -0.369 -7.985 -4.445) 9.147 ======================= Grid point 74 (28/140) ======================= q-point: ( 0.25 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 25.069 11.596 -3.359) 27.824 1.454 ( 20.782 14.557 11.238) 27.751 2.538 ( 29.527 19.505 15.502) 38.634 2.804 ( 5.226 -4.780 -2.219) 7.422 2.923 ( 2.256 1.551 3.762) 4.652 3.124 ( -17.966 -1.014 0.339) 17.998 3.351 ( 1.825 -5.960 5.273) 8.164 3.883 ( 4.613 -5.104 1.823) 7.117 4.066 ( 4.409 -1.353 2.406) 5.202 4.246 ( 3.099 -0.843 13.833) 14.201 4.294 ( -1.801 2.825 7.638) 8.340 5.124 ( -7.223 -4.252 8.393) 11.861 5.192 ( -2.443 -13.891 -2.103) 14.260 5.565 ( -1.937 -6.526 -0.946) 6.873 5.719 ( -17.353 3.850 -0.420) 17.779 5.874 ( 6.671 -2.616 -1.980) 7.434 6.059 ( -13.513 4.672 -1.323) 14.359 6.137 ( 3.412 3.544 -5.148) 7.121 6.337 ( -9.580 1.827 2.951) 10.189 6.615 ( -4.933 5.398 2.736) 7.807 6.661 ( -5.010 4.626 0.215) 6.823 7.244 ( -11.538 -0.639 -0.493) 11.566 7.682 ( 16.461 -5.792 -8.046) 19.216 7.958 ( 7.650 -14.263 -2.359) 16.356 8.459 ( 8.432 4.836 -5.915) 11.378 8.632 ( 7.446 -0.335 -4.117) 8.515 8.841 ( 11.478 -2.584 3.301) 12.220 9.015 ( 6.109 -7.795 -5.378) 11.270 9.332 ( -3.678 7.573 -9.838) 12.949 9.363 ( -8.445 1.811 -5.715) 10.356 9.840 ( -1.171 -5.111 0.017) 5.243 10.242 ( -3.873 -6.417 -6.114) 9.673 10.340 ( -4.556 0.595 -3.432) 5.735 10.390 ( -3.038 6.112 -2.329) 7.212 10.520 ( -5.995 -3.085 8.988) 11.236 10.645 ( 1.526 2.986 -0.373) 3.374 10.799 ( -1.779 -1.311 9.030) 9.296 11.168 ( 0.099 7.235 -4.297) 8.416 11.302 ( -3.771 3.909 -0.589) 5.463 11.539 ( -5.028 7.642 -0.181) 9.150 12.196 ( 4.978 -4.676 1.859) 7.078 12.215 ( 5.914 -14.378 -0.493) 15.554 12.901 ( 2.461 3.937 -3.296) 5.693 13.112 ( 0.079 7.348 -11.544) 13.684 13.700 ( 2.980 4.909 11.508) 12.861 14.259 ( -10.064 12.937 7.636) 18.082 15.198 ( 7.260 -3.937 -3.884) 9.127 15.531 ( -1.106 -7.545 -4.322) 8.766 ======================= Grid point 75 (29/140) ======================= q-point: ( 0.38 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 25.590 6.383 -3.845) 26.653 1.878 ( 20.940 9.307 7.506) 24.113 2.572 ( -13.462 7.776 2.167) 15.697 2.729 ( -19.500 2.457 2.454) 19.807 2.940 ( 6.920 -5.534 -1.464) 8.981 3.218 ( -0.095 -3.197 2.124) 3.839 3.522 ( 29.702 8.268 9.940) 32.394 4.023 ( 5.660 -5.539 -1.073) 7.992 4.141 ( 2.531 -2.903 4.551) 5.962 4.292 ( 2.840 5.907 5.718) 8.698 4.381 ( 8.957 -0.615 5.222) 10.387 4.985 ( -7.902 -3.015 8.768) 12.182 5.039 ( -15.026 -7.369 2.731) 16.957 5.309 ( -14.075 -3.364 1.250) 14.526 5.560 ( -0.483 -3.237 -0.193) 3.279 5.768 ( -12.957 4.451 1.269) 13.758 5.970 ( 2.056 -1.179 -3.311) 4.071 6.145 ( -7.034 -4.831 0.185) 8.535 6.336 ( 11.028 -2.095 -4.559) 12.116 6.565 ( -3.134 7.363 1.599) 8.161 6.587 ( 1.105 9.560 2.007) 9.831 6.996 ( -13.005 -1.423 -0.934) 13.116 7.980 ( 12.379 -9.254 -5.985) 16.574 8.098 ( 5.540 -13.951 -3.022) 15.312 8.623 ( 7.691 4.628 -6.638) 11.164 8.738 ( 2.587 -0.766 -10.029) 10.386 8.982 ( 2.057 -3.978 -3.424) 5.638 9.143 ( 3.722 -2.069 -0.331) 4.271 9.187 ( -4.458 3.729 -3.488) 6.778 9.292 ( -0.565 9.164 -2.973) 9.651 9.845 ( 2.086 -3.824 0.504) 4.385 10.101 ( -8.815 1.042 -2.049) 9.110 10.266 ( -2.821 0.812 -2.968) 4.174 10.319 ( -3.916 6.747 -2.460) 8.180 10.443 ( -1.450 -9.941 5.259) 11.339 10.554 ( -6.790 -7.294 4.651) 10.997 10.869 ( 5.939 6.114 0.363) 8.531 11.107 ( -5.462 6.716 -4.419) 9.720 11.302 ( 3.196 5.911 1.641) 6.917 11.460 ( -3.637 7.089 1.400) 8.090 12.284 ( 3.676 -7.991 0.916) 8.843 12.312 ( 3.095 -14.636 -0.702) 14.976 12.961 ( 3.530 4.631 -3.231) 6.659 13.095 ( -1.974 4.982 -8.309) 9.888 13.779 ( 5.105 7.788 10.305) 13.889 14.070 ( -8.848 11.245 7.367) 16.093 15.331 ( 5.930 -5.008 -3.636) 8.571 15.497 ( -2.391 -6.851 -4.101) 8.335 ======================= Grid point 76 (30/140) ======================= q-point: (-0.50 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -13.216 2.245 -0.509) 13.415 2.135 ( 13.216 2.245 -0.509) 13.415 2.363 ( -11.515 9.795 3.889) 15.610 2.363 ( 11.515 9.795 3.889) 15.610 3.094 ( -7.988 -5.384 0.117) 9.634 3.094 ( 7.988 -5.384 0.117) 9.634 4.041 ( -8.385 -1.876 1.608) 8.742 4.041 ( 8.385 -1.876 1.608) 8.742 4.230 ( -12.072 6.541 5.558) 14.812 4.230 ( 12.072 6.541 5.558) 14.812 4.596 ( -15.293 -0.922 3.082) 15.628 4.596 ( 15.293 -0.922 3.082) 15.628 5.068 ( -10.456 -6.770 7.571) 14.577 5.068 ( 10.456 -6.770 7.571) 14.577 5.595 ( -4.480 1.318 0.354) 4.683 5.595 ( 4.480 1.318 0.354) 4.683 6.027 ( -4.287 -5.262 -1.383) 6.927 6.027 ( 4.287 -5.262 -1.383) 6.927 6.492 ( -4.255 6.874 -2.383) 8.428 6.492 ( 4.255 6.874 -2.383) 8.428 6.736 ( -12.157 0.698 0.866) 12.207 6.736 ( 12.157 0.698 0.866) 12.207 8.138 ( -2.669 -12.705 -3.845) 13.540 8.138 ( 2.669 -12.705 -3.845) 13.540 8.736 ( -2.873 2.684 -10.184) 10.916 8.736 ( 2.873 2.684 -10.184) 10.916 9.026 ( -4.643 -1.561 -6.838) 8.411 9.026 ( 4.643 -1.561 -6.838) 8.411 9.277 ( -2.663 5.784 3.109) 7.086 9.277 ( 2.663 5.784 3.109) 7.086 9.935 ( -6.903 -0.904 0.554) 6.983 9.935 ( 6.903 -0.904 0.554) 6.983 10.251 ( -1.821 5.177 -1.867) 5.797 10.251 ( 1.821 5.177 -1.867) 5.797 10.456 ( -2.695 -10.758 3.264) 11.561 10.456 ( 2.695 -10.758 3.264) 11.561 10.990 ( -5.991 6.904 -1.823) 9.321 10.990 ( 5.991 6.904 -1.823) 9.321 11.382 ( -4.193 6.453 1.330) 7.810 11.382 ( 4.193 6.453 1.330) 7.810 12.333 ( -0.915 -11.765 -0.094) 11.801 12.333 ( 0.915 -11.765 -0.094) 11.801 13.036 ( -3.651 4.266 -4.904) 7.455 13.036 ( 3.651 4.266 -4.904) 7.455 13.906 ( -7.442 9.952 8.128) 14.849 13.906 ( 7.442 9.952 8.128) 14.849 15.432 ( -4.138 -5.978 -3.814) 8.210 15.432 ( 4.138 -5.978 -3.814) 8.210 ======================= Grid point 81 (31/140) ======================= q-point: ( 0.00 0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.000 23.924 10.815) 26.255 1.312 ( 0.000 24.320 11.607) 26.947 2.374 ( 0.000 43.251 9.765) 44.340 2.588 ( 0.000 -12.326 5.337) 13.432 2.602 ( 0.000 -9.109 2.227) 9.377 3.340 ( 0.000 3.865 5.609) 6.812 3.595 ( 0.000 -6.184 4.526) 7.663 3.612 ( 0.000 -8.769 -5.591) 10.400 3.820 ( 0.000 -5.340 5.123) 7.400 4.173 ( 0.000 -1.205 15.706) 15.752 4.314 ( 0.000 -6.197 -2.616) 6.727 4.984 ( 0.000 -16.602 7.415) 18.182 5.315 ( 0.000 -11.927 0.844) 11.956 5.355 ( 0.000 -1.071 9.976) 10.034 5.515 ( 0.000 8.568 1.987) 8.795 6.112 ( 0.000 -4.603 -4.352) 6.335 6.406 ( 0.000 5.518 -7.559) 9.358 6.454 ( 0.000 6.080 -5.848) 8.436 6.722 ( 0.000 2.029 -1.515) 2.533 6.860 ( 0.000 2.870 0.980) 3.033 6.994 ( 0.000 -5.699 -1.639) 5.930 7.372 ( 0.000 -8.104 -4.756) 9.397 7.398 ( 0.000 -0.434 1.591) 1.649 7.576 ( 0.000 -5.030 3.456) 6.102 8.003 ( 0.000 8.028 -6.254) 10.176 8.385 ( 0.000 -0.445 -1.051) 1.141 8.483 ( 0.000 -2.010 0.253) 2.026 8.546 ( 0.000 -2.786 1.861) 3.351 9.543 ( 0.000 1.983 -11.781) 11.947 9.551 ( 0.000 1.693 -6.860) 7.066 9.828 ( 0.000 -3.041 2.670) 4.047 10.015 ( 0.000 -6.994 5.532) 8.918 10.474 ( 0.000 -0.905 -1.219) 1.518 10.476 ( 0.000 -0.654 -1.537) 1.670 10.681 ( 0.000 10.999 -6.054) 12.555 10.918 ( 0.000 7.435 6.195) 9.678 10.946 ( 0.000 5.596 7.887) 9.671 11.402 ( 0.000 15.539 -6.275) 16.759 11.444 ( 0.000 2.946 -3.827) 4.829 11.522 ( 0.000 -15.210 -9.665) 18.021 11.893 ( 0.000 -2.977 0.189) 2.983 12.272 ( 0.000 10.048 6.947) 12.216 12.712 ( 0.000 -13.625 -1.842) 13.749 13.093 ( 0.000 -7.861 -3.590) 8.642 13.907 ( 0.000 21.278 3.663) 21.591 14.879 ( 0.000 5.137 -4.747) 6.994 14.913 ( 0.000 1.165 2.019) 2.331 15.298 ( 0.000 -15.237 -3.797) 15.703 ======================= Grid point 82 (32/140) ======================= q-point: ( 0.12 0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 5.438 24.887 3.420) 25.703 1.526 ( 13.058 22.165 13.494) 29.050 2.535 ( 6.164 0.054 0.778) 6.213 2.626 ( 15.570 25.171 9.808) 31.180 2.745 ( 9.703 -8.678 4.724) 13.849 3.297 ( -4.156 3.133 5.387) 7.491 3.397 ( -11.137 -2.711 0.065) 11.463 3.723 ( 1.924 -8.255 1.310) 8.577 3.848 ( 3.850 -7.391 3.603) 9.079 4.183 ( 1.361 0.042 13.921) 13.988 4.317 ( 0.289 -4.968 -1.539) 5.209 4.939 ( -3.410 -14.086 5.998) 15.685 5.256 ( -7.044 -4.828 9.652) 12.888 5.346 ( 0.739 -7.451 4.025) 8.501 5.617 ( 9.549 5.234 -1.871) 11.049 6.077 ( -4.263 -3.546 -3.220) 6.412 6.273 ( -10.894 6.003 -5.909) 13.770 6.389 ( -7.251 4.169 -5.675) 10.108 6.727 ( -0.759 3.072 1.134) 3.361 6.762 ( -18.093 -0.455 -0.796) 18.116 6.843 ( -3.232 5.228 0.752) 6.192 7.320 ( 6.275 -0.572 -0.967) 6.375 7.445 ( -5.704 -2.783 -0.802) 6.397 7.511 ( 1.726 -13.695 -0.251) 13.806 8.303 ( 16.792 2.540 -10.308) 19.866 8.504 ( 7.621 2.052 -2.160) 8.183 8.548 ( 8.944 -3.339 0.312) 9.552 8.647 ( 10.374 -4.672 1.831) 11.524 9.505 ( -3.956 1.070 -8.094) 9.073 9.527 ( -1.705 3.835 -8.550) 9.525 9.803 ( -1.919 -2.249 1.253) 3.211 10.007 ( -0.825 -8.660 4.542) 9.814 10.421 ( -3.579 -1.991 -0.591) 4.138 10.465 ( -2.285 -1.435 -1.381) 3.031 10.736 ( 2.558 9.963 -3.936) 11.013 10.799 ( -6.996 8.389 4.465) 11.800 10.925 ( -4.332 4.049 5.756) 8.264 11.365 ( -1.312 8.962 -4.515) 10.121 11.443 ( -2.245 3.548 -2.466) 4.869 11.569 ( 3.775 -6.368 -12.413) 14.453 11.916 ( 2.550 -3.556 2.294) 4.941 12.249 ( -1.699 10.121 7.910) 12.957 12.735 ( 2.239 -13.095 -1.223) 13.342 13.099 ( 0.236 -8.418 -2.665) 8.833 13.929 ( 2.214 21.142 3.430) 21.533 14.746 ( -8.800 9.418 -0.020) 12.889 14.998 ( 4.757 -1.986 -1.678) 5.421 15.299 ( 0.098 -14.947 -3.804) 15.423 ======================= Grid point 83 (33/140) ======================= q-point: ( 0.25 0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 17.050 19.927 -2.529) 26.347 1.817 ( 15.577 19.053 11.437) 27.138 2.627 ( 5.629 -11.303 -1.738) 12.746 2.897 ( 3.263 -4.088 1.378) 5.409 3.033 ( 4.891 17.316 5.209) 18.732 3.182 ( -5.739 6.162 4.866) 9.725 3.266 ( 11.868 6.227 6.078) 14.716 3.744 ( 2.532 -7.663 2.099) 8.339 3.933 ( 3.340 -11.330 3.691) 12.376 4.245 ( 5.021 1.662 10.735) 11.968 4.335 ( 2.087 -1.036 -0.027) 2.330 4.878 ( -2.618 -12.886 3.941) 13.727 5.087 ( -8.603 -1.381 10.449) 13.605 5.381 ( 2.541 -8.947 2.560) 9.647 5.833 ( 8.902 0.249 -2.784) 9.331 5.847 ( -18.569 6.138 -1.770) 19.637 6.092 ( -7.161 -0.584 -2.478) 7.600 6.195 ( -8.577 0.907 -4.560) 9.757 6.382 ( -16.408 3.503 0.091) 16.778 6.709 ( -1.866 1.569 3.047) 3.902 6.815 ( -0.447 9.332 -0.127) 9.343 7.234 ( -11.220 0.155 -0.397) 11.228 7.525 ( 11.018 -8.163 -3.754) 14.217 7.635 ( 7.819 -15.474 -2.242) 17.482 8.532 ( 8.552 2.292 -6.995) 11.283 8.628 ( 6.109 -0.202 -6.509) 8.929 8.800 ( 11.624 -0.855 -1.367) 11.736 8.899 ( 12.398 -3.352 -1.451) 12.925 9.391 ( -6.901 2.104 -4.402) 8.452 9.503 ( -0.502 6.890 -7.855) 10.460 9.776 ( -0.239 -0.885 -0.228) 0.945 9.994 ( 0.082 -11.837 1.013) 11.880 10.338 ( -4.485 -3.150 0.922) 5.557 10.396 ( -4.302 -3.451 -0.780) 5.570 10.553 ( -12.531 5.225 7.329) 15.429 10.741 ( -10.211 3.422 1.992) 10.952 10.905 ( 6.228 9.193 -4.423) 11.953 11.341 ( -2.946 7.871 -5.082) 9.821 11.401 ( 0.339 3.823 -1.471) 4.110 11.616 ( 0.522 0.777 -9.091) 9.139 11.998 ( 5.222 -4.531 3.697) 7.840 12.222 ( -0.868 7.518 7.491) 10.648 12.795 ( 3.603 -12.006 0.196) 12.537 13.088 ( -1.540 -9.194 -0.388) 9.330 13.994 ( 4.261 20.938 2.639) 21.529 14.560 ( -9.264 13.750 1.324) 16.633 15.096 ( 4.890 -5.484 -2.352) 7.715 15.299 ( -0.182 -14.087 -3.785) 14.588 ======================= Grid point 84 (34/140) ======================= q-point: ( 0.38 0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 20.096 13.478 -3.486) 24.447 2.126 ( 14.171 13.579 7.591) 21.044 2.750 ( 3.856 -7.667 0.324) 8.588 2.798 ( -12.328 13.104 1.736) 18.075 2.853 ( -7.394 3.900 -1.690) 8.529 3.086 ( -5.590 -6.949 4.984) 10.216 3.744 ( 17.258 1.330 1.693) 17.392 3.883 ( 12.115 -1.511 3.213) 12.624 3.985 ( 6.572 -9.274 6.096) 12.898 4.357 ( 5.072 2.042 8.300) 9.939 4.427 ( 6.807 2.186 0.409) 7.161 4.806 ( -6.281 -10.770 3.265) 12.888 4.951 ( -3.538 0.426 8.726) 9.425 5.392 ( -23.593 7.993 2.609) 25.046 5.446 ( 4.038 -7.715 3.324) 9.321 5.808 ( -13.390 0.583 0.253) 13.405 5.962 ( -0.575 -0.497 -3.132) 3.223 6.115 ( -9.546 3.013 -1.013) 10.062 6.254 ( 10.317 -4.959 -3.869) 12.083 6.640 ( -5.437 -2.407 0.499) 5.967 6.826 ( 1.646 12.243 0.768) 12.377 7.024 ( -9.157 5.734 -0.295) 10.808 7.720 ( 7.884 -14.287 -4.727) 16.989 7.781 ( 5.615 -15.271 -2.508) 16.463 8.688 ( 6.856 1.848 -5.853) 9.202 8.748 ( 5.716 1.335 -10.338) 11.888 8.927 ( 1.831 -1.147 -4.323) 4.833 9.084 ( 1.353 -3.194 -3.853) 5.185 9.301 ( 2.386 6.901 -0.142) 7.303 9.498 ( -0.741 9.729 -4.640) 10.805 9.814 ( 4.454 0.799 0.152) 4.527 10.018 ( 1.646 -10.975 -4.581) 12.006 10.248 ( -5.922 0.664 2.021) 6.293 10.283 ( -6.064 -6.274 5.711) 10.428 10.341 ( -5.966 -3.008 5.074) 8.389 10.499 ( -12.420 0.469 1.846) 12.565 11.038 ( 6.346 9.513 -5.002) 12.481 11.256 ( -4.796 7.787 -4.944) 10.396 11.451 ( 3.685 5.528 -1.307) 6.771 11.594 ( -2.385 3.653 -4.849) 6.523 12.101 ( 4.625 -3.827 3.178) 6.793 12.207 ( -0.988 2.930 5.357) 6.185 12.875 ( 4.234 -11.004 1.663) 11.908 13.038 ( -3.325 -9.799 1.657) 10.480 14.098 ( 5.963 20.285 1.680) 21.210 14.384 ( -8.243 16.582 1.293) 18.562 15.187 ( 4.009 -8.388 -2.886) 9.734 15.288 ( -1.077 -12.686 -3.651) 13.245 ======================= Grid point 85 (35/140) ======================= q-point: (-0.50 0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -8.891 7.690 -0.078) 11.756 2.240 ( 8.891 7.690 -0.078) 11.756 2.636 ( -3.487 14.931 2.712) 15.571 2.636 ( 3.487 14.931 2.712) 15.571 2.945 ( -7.950 -7.701 1.232) 11.137 2.945 ( 7.950 -7.701 1.232) 11.137 3.899 ( -3.818 -13.059 1.180) 13.657 3.899 ( 3.818 -13.059 1.180) 13.657 4.361 ( -11.185 5.418 4.591) 13.249 4.361 ( 11.185 5.418 4.591) 13.249 4.583 ( -12.154 -0.453 3.811) 12.746 4.583 ( 12.154 -0.453 3.811) 12.746 5.016 ( -11.293 3.237 6.251) 13.307 5.016 ( 11.293 3.237 6.251) 13.307 5.568 ( -8.936 -4.186 3.365) 10.426 5.568 ( 8.936 -4.186 3.365) 10.426 5.985 ( -3.424 1.818 -2.571) 4.652 5.985 ( 3.424 1.818 -2.571) 4.652 6.479 ( -10.443 -6.413 -2.885) 12.590 6.479 ( 10.443 -6.413 -2.885) 12.590 6.886 ( -4.615 11.814 1.024) 12.725 6.886 ( 4.615 11.814 1.024) 12.725 7.823 ( -1.806 -16.118 -3.918) 16.685 7.823 ( 1.806 -16.118 -3.918) 16.685 8.793 ( -2.838 2.810 -7.919) 8.869 8.793 ( 2.838 2.810 -7.919) 8.869 8.985 ( -6.111 -2.281 -6.124) 8.947 8.985 ( 6.111 -2.281 -6.124) 8.947 9.435 ( -6.156 8.810 -0.573) 10.763 9.435 ( 6.156 8.810 -0.573) 10.763 9.952 ( -8.209 1.188 -1.919) 8.513 9.952 ( 8.209 1.188 -1.919) 8.513 10.205 ( -4.149 -9.340 4.323) 11.097 10.205 ( 4.149 -9.340 4.323) 11.097 10.314 ( -4.260 -1.808 2.868) 5.444 10.314 ( 4.260 -1.808 2.868) 5.444 11.154 ( -5.364 8.829 -4.724) 11.360 11.154 ( 5.364 8.829 -4.724) 11.360 11.530 ( -3.847 5.023 -2.445) 6.783 11.530 ( 3.847 5.023 -2.445) 6.783 12.173 ( -2.534 -1.211 3.619) 4.581 12.173 ( 2.534 -1.211 3.619) 4.581 12.961 ( -4.220 -10.326 2.356) 11.401 12.961 ( 4.220 -10.326 2.356) 11.401 14.230 ( -7.180 18.778 1.194) 20.139 14.230 ( 7.180 18.778 1.194) 20.139 15.253 ( -2.504 -10.781 -3.344) 11.562 15.253 ( 2.504 -10.781 -3.344) 11.562 ======================= Grid point 90 (36/140) ======================= q-point: ( 0.00 0.43 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.000 22.428 5.654) 23.130 1.816 ( 0.000 22.521 7.562) 23.757 2.260 ( 0.000 -18.290 3.293) 18.584 2.266 ( 0.000 -17.902 6.745) 19.130 3.244 ( 0.000 26.952 2.919) 27.110 3.447 ( 0.000 -6.150 -4.394) 7.559 3.456 ( 0.000 10.092 1.187) 10.161 3.584 ( 0.000 8.315 6.983) 10.858 3.678 ( 0.000 -7.925 7.019) 10.586 4.030 ( 0.000 -20.995 -2.325) 21.124 4.255 ( 0.000 8.852 7.053) 11.318 4.568 ( 0.000 -20.349 6.810) 21.459 5.229 ( 0.000 2.260 8.477) 8.774 5.304 ( 0.000 -3.502 11.500) 12.021 5.734 ( 0.000 11.233 -1.517) 11.335 5.960 ( 0.000 -9.442 -3.070) 9.928 6.497 ( 0.000 2.811 -7.294) 7.817 6.520 ( 0.000 0.712 -6.660) 6.698 6.782 ( 0.000 3.486 -0.076) 3.487 6.875 ( 0.000 -5.244 -0.647) 5.283 6.969 ( 0.000 7.314 -0.971) 7.378 7.157 ( 0.000 -10.251 -1.879) 10.421 7.414 ( 0.000 2.044 1.240) 2.391 7.481 ( 0.000 -4.028 1.753) 4.393 8.178 ( 0.000 7.707 -2.503) 8.103 8.319 ( 0.000 -5.426 0.664) 5.466 8.480 ( 0.000 1.149 -3.006) 3.218 8.507 ( 0.000 -1.328 -2.416) 2.757 9.568 ( 0.000 0.860 -6.489) 6.545 9.579 ( 0.000 0.261 -7.198) 7.203 9.816 ( 0.000 2.266 3.033) 3.786 9.899 ( 0.000 -4.766 2.288) 5.287 10.456 ( 0.000 -0.397 -0.640) 0.753 10.460 ( 0.000 -0.672 -1.336) 1.496 10.917 ( 0.000 11.688 -7.172) 13.712 11.026 ( 0.000 2.671 4.817) 5.508 11.032 ( 0.000 2.012 4.766) 5.173 11.188 ( 0.000 -14.008 -8.687) 16.483 11.569 ( 0.000 6.119 -4.713) 7.724 11.658 ( 0.000 1.385 -9.253) 9.356 11.943 ( 0.000 13.979 2.127) 14.140 12.344 ( 0.000 -19.852 -1.575) 19.914 12.534 ( 0.000 14.250 7.965) 16.325 12.844 ( 0.000 -14.222 5.131) 15.119 14.403 ( 0.000 24.041 -2.058) 24.129 14.863 ( 0.000 -14.870 -4.472) 15.528 14.946 ( 0.000 1.607 -0.698) 1.752 14.980 ( 0.000 -5.740 1.965) 6.067 ======================= Grid point 91 (37/140) ======================= q-point: ( 0.12 0.43 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 3.804 22.902 1.202) 23.247 1.994 ( 11.560 21.131 9.572) 25.919 2.235 ( 2.072 -17.630 0.698) 17.765 2.425 ( 10.491 -17.937 6.987) 21.923 3.309 ( 3.290 11.862 0.120) 12.310 3.412 ( -3.757 0.825 -1.097) 4.000 3.464 ( 3.235 19.984 4.294) 20.695 3.592 ( 1.444 4.362 4.889) 6.709 3.669 ( -0.864 -8.512 6.353) 10.656 4.065 ( 3.869 -19.057 -1.488) 19.503 4.276 ( 2.084 8.454 6.617) 10.935 4.569 ( 0.193 -18.777 6.462) 19.859 5.206 ( -2.644 1.845 8.761) 9.335 5.268 ( -2.981 -2.957 11.464) 12.209 5.774 ( 3.944 8.743 -2.662) 9.954 5.955 ( -0.547 -7.687 -3.171) 8.333 6.381 ( -11.004 3.772 -6.250) 13.205 6.425 ( -9.416 -0.391 -5.942) 11.141 6.746 ( -6.064 1.037 0.616) 6.182 6.772 ( -7.766 -0.677 -0.596) 7.818 6.983 ( 1.471 8.518 -1.026) 8.704 7.204 ( 4.183 -12.030 -1.424) 12.816 7.342 ( -2.076 1.318 1.732) 3.007 7.393 ( -6.758 -3.095 1.168) 7.524 8.374 ( 13.210 4.068 -7.252) 15.609 8.466 ( 9.590 -4.329 -3.551) 11.105 8.550 ( 8.907 1.999 -1.186) 9.205 8.587 ( 9.115 -1.730 -0.240) 9.281 9.534 ( -3.043 1.800 -4.984) 6.110 9.568 ( -0.963 -0.517 -7.080) 7.164 9.799 ( -1.368 2.294 2.608) 3.733 9.878 ( -1.964 -4.542 2.272) 5.445 10.393 ( -5.128 -0.056 -0.287) 5.136 10.420 ( -4.241 -2.238 -0.981) 4.894 10.906 ( -8.330 5.395 2.930) 10.348 10.966 ( -7.392 -0.083 3.776) 8.301 10.991 ( 4.508 9.870 -5.817) 12.312 11.229 ( 3.684 -12.069 -8.118) 15.004 11.552 ( -1.691 6.739 -4.975) 8.546 11.657 ( -0.401 -0.518 -8.090) 8.117 11.985 ( 4.004 14.355 2.548) 15.119 12.378 ( 3.154 -19.377 -0.617) 19.642 12.520 ( -1.377 14.739 8.451) 17.046 12.840 ( -0.606 -14.672 5.523) 15.689 14.422 ( 1.801 23.762 -2.115) 23.924 14.871 ( 0.148 -9.573 -3.171) 10.086 14.907 ( -2.540 -2.096 -1.439) 3.594 14.988 ( 0.408 -6.585 0.990) 6.671 ======================= Grid point 92 (38/140) ======================= q-point: ( 0.25 0.43 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 11.464 20.016 -2.627) 23.215 2.237 ( 11.765 20.080 9.191) 25.022 2.336 ( 7.760 -16.081 -2.059) 17.974 2.640 ( 9.594 -17.055 5.070) 20.214 3.283 ( -5.584 7.253 1.822) 9.333 3.290 ( -6.564 9.557 -0.194) 11.596 3.519 ( -1.350 -4.564 3.839) 6.115 3.632 ( -1.435 -13.956 3.532) 14.467 3.793 ( 18.108 22.044 6.325) 29.221 4.198 ( 9.272 -12.455 0.608) 15.540 4.338 ( 4.097 7.278 5.561) 10.034 4.579 ( 0.810 -14.874 5.551) 15.897 5.115 ( -5.572 3.905 9.951) 12.055 5.224 ( -1.078 -6.074 9.096) 10.991 5.870 ( 2.145 3.066 -2.111) 4.296 5.923 ( -2.859 -0.499 -2.812) 4.041 6.105 ( -14.115 2.845 -4.566) 15.105 6.173 ( -13.114 -2.572 -4.848) 14.216 6.502 ( -13.189 7.416 0.157) 15.132 6.658 ( -7.084 -6.029 1.239) 9.384 7.029 ( 2.996 10.984 -0.954) 11.425 7.250 ( -1.651 -2.783 -2.159) 3.890 7.325 ( 2.380 -7.364 0.296) 7.745 7.387 ( 5.115 -6.373 0.406) 8.182 8.572 ( 7.946 1.821 -8.235) 11.588 8.610 ( 6.821 -1.550 -8.460) 10.977 8.811 ( 12.324 1.546 -2.416) 12.654 8.849 ( 13.547 -1.874 -1.620) 13.772 9.464 ( -3.158 4.852 -2.002) 6.126 9.565 ( 1.485 -2.522 -5.732) 6.436 9.783 ( 0.468 1.565 1.612) 2.295 9.833 ( -1.972 -3.206 1.190) 3.948 10.272 ( -6.434 -1.338 1.917) 6.845 10.307 ( -6.654 -3.979 0.013) 7.753 10.673 ( -13.764 5.215 4.144) 15.291 10.753 ( -13.100 -2.015 2.779) 13.542 11.115 ( 6.715 10.016 -7.212) 14.051 11.319 ( 4.965 -8.766 -7.523) 12.574 11.506 ( -2.815 7.706 -5.245) 9.737 11.636 ( -1.705 -3.064 -6.814) 7.663 12.089 ( 6.025 14.041 3.663) 15.712 12.457 ( 3.888 -14.788 2.152) 15.441 12.482 ( -1.742 11.625 8.318) 14.400 12.813 ( -2.195 -15.388 6.315) 16.778 14.473 ( 3.246 22.809 -2.195) 23.143 14.810 ( -4.518 9.757 -0.258) 10.755 14.916 ( 1.834 -16.876 -4.319) 17.516 14.994 ( 0.177 -9.409 -0.245) 9.414 ======================= Grid point 93 (39/140) ======================= q-point: ( 0.38 0.43 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 13.841 14.977 -3.077) 20.624 2.431 ( 6.993 12.944 4.250) 15.314 2.523 ( 9.476 -10.417 -0.314) 14.086 2.755 ( 0.886 -13.046 1.425) 13.153 3.117 ( -7.167 16.354 2.131) 17.983 3.186 ( -5.873 14.696 3.707) 16.255 3.486 ( -0.378 -15.852 2.828) 16.106 3.589 ( -2.906 -19.332 2.893) 19.762 4.202 ( 19.975 14.307 4.424) 24.966 4.403 ( 9.613 -4.433 1.835) 10.744 4.429 ( 4.489 4.965 4.433) 8.028 4.593 ( 0.077 -9.718 4.546) 10.729 5.037 ( -0.443 7.517 8.722) 11.522 5.241 ( 3.722 -10.764 7.393) 13.579 5.583 ( -21.249 9.257 1.690) 23.239 5.756 ( -18.214 -6.217 0.888) 19.266 6.006 ( 3.556 5.202 -4.618) 7.813 6.132 ( 6.365 -5.883 -4.091) 9.584 6.266 ( -9.995 9.651 -0.516) 13.903 6.489 ( -9.273 -10.194 -0.106) 13.781 7.097 ( 3.623 13.426 -0.926) 13.937 7.212 ( -1.859 10.500 -0.950) 10.706 7.408 ( 4.630 -14.478 -2.929) 15.480 7.476 ( 2.785 -13.178 -0.797) 13.492 8.725 ( 7.412 1.843 -7.519) 10.718 8.758 ( 7.824 -0.812 -9.133) 12.053 8.942 ( 0.549 2.484 -5.072) 5.674 9.011 ( 0.683 -3.597 -4.939) 6.148 9.476 ( 5.976 9.545 0.155) 11.262 9.647 ( 5.743 -0.638 -5.442) 7.937 9.804 ( -0.312 -3.412 0.118) 3.428 9.839 ( 4.158 -0.164 -2.104) 4.663 10.152 ( -5.732 -3.454 4.825) 8.250 10.182 ( -3.482 -5.027 3.825) 7.213 10.384 ( -14.341 4.720 5.609) 16.107 10.472 ( -14.001 -3.111 3.274) 14.712 11.244 ( 5.935 9.491 -7.145) 13.279 11.411 ( 2.425 -1.621 -7.203) 7.771 11.448 ( -1.232 3.560 -5.625) 6.770 11.588 ( -3.028 -4.629 -6.504) 8.538 12.212 ( 6.010 13.558 5.226) 15.724 12.414 ( -3.848 14.610 8.381) 17.277 12.562 ( 5.152 -17.149 3.896) 18.325 12.752 ( -3.840 -15.906 6.558) 17.629 14.547 ( 4.031 20.990 -2.109) 21.477 14.719 ( -4.472 14.461 -1.026) 15.172 14.953 ( 1.753 -16.334 -3.663) 16.831 14.994 ( -0.240 -12.370 -1.592) 12.475 ======================= Grid point 94 (40/140) ======================= q-point: (-0.50 0.43 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -7.005 11.146 -0.155) 13.166 2.446 ( 7.005 11.146 -0.155) 13.166 2.683 ( -6.583 -10.284 -0.764) 12.235 2.683 ( 6.583 -10.284 -0.764) 12.235 3.076 ( -3.449 19.731 4.352) 20.497 3.076 ( 3.449 19.731 4.352) 20.497 3.521 ( -3.310 -20.904 2.901) 21.362 3.521 ( 3.310 -20.904 2.901) 21.362 4.464 ( -3.574 4.482 2.896) 6.423 4.464 ( 3.574 4.482 2.896) 6.423 4.547 ( -5.210 -3.109 3.610) 7.060 4.547 ( 5.210 -3.109 3.610) 7.060 5.183 ( -15.763 10.972 5.638) 20.017 5.183 ( 15.763 10.972 5.638) 20.017 5.416 ( -13.952 -9.848 4.501) 17.660 5.416 ( 13.952 -9.848 4.501) 17.660 6.101 ( -6.271 8.402 -2.454) 10.768 6.101 ( 6.271 8.402 -2.454) 10.768 6.301 ( -9.239 -9.645 -2.167) 13.531 6.301 ( 9.239 -9.645 -2.167) 13.531 7.165 ( -2.959 14.191 -0.895) 14.524 7.165 ( 2.959 14.191 -0.895) 14.524 7.482 ( -2.118 -15.724 -2.720) 16.097 7.482 ( 2.118 -15.724 -2.720) 16.097 8.859 ( -4.409 3.364 -6.998) 8.929 8.859 ( 4.409 3.364 -6.998) 8.929 8.929 ( -5.624 -3.059 -6.543) 9.154 8.929 ( 5.624 -3.059 -6.543) 9.154 9.640 ( -7.330 10.436 -2.531) 13.002 9.640 ( 7.330 10.436 -2.531) 13.002 9.863 ( -4.750 -9.730 -5.141) 11.986 9.863 ( 4.750 -9.730 -5.141) 11.986 10.138 ( -7.831 3.235 8.244) 11.822 10.138 ( 7.831 3.235 8.244) 11.822 10.237 ( -8.200 -4.916 5.331) 10.946 10.237 ( 8.200 -4.916 5.331) 10.946 11.350 ( -4.687 9.158 -6.594) 12.220 11.350 ( 4.687 9.158 -6.594) 12.220 11.516 ( -4.101 -5.623 -6.643) 9.621 11.516 ( 4.101 -5.623 -6.643) 9.621 12.324 ( -5.073 13.879 6.976) 16.341 12.324 ( 5.073 13.879 6.976) 16.341 12.663 ( -4.857 -16.433 5.701) 18.059 12.663 ( 4.857 -16.433 5.701) 18.059 14.631 ( -4.285 18.217 -1.721) 18.793 14.631 ( 4.285 18.217 -1.721) 18.793 14.982 ( -1.009 -14.772 -2.761) 15.061 14.982 ( 1.009 -14.772 -2.761) 15.061 ======================= Grid point 126 (41/140) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.000 0.000 27.118) 27.118 1.131 ( 0.000 0.000 27.910) 27.910 1.565 ( 0.000 0.000 36.937) 36.937 2.874 ( 0.000 0.000 6.027) 6.027 2.956 ( 0.000 0.000 5.584) 5.584 3.495 ( 0.000 0.000 9.710) 9.710 3.631 ( 0.000 0.000 -9.052) 9.052 3.931 ( 0.000 0.000 6.688) 6.688 4.055 ( 0.000 0.000 6.888) 6.888 4.465 ( 0.000 0.000 4.084) 4.084 4.983 ( 0.000 0.000 -5.290) 5.290 5.151 ( 0.000 0.000 -8.195) 8.195 5.468 ( 0.000 0.000 -5.265) 5.265 5.562 ( 0.000 0.000 -9.906) 9.906 5.844 ( 0.000 0.000 18.682) 18.682 5.936 ( 0.000 0.000 -3.197) 3.197 6.156 ( 0.000 0.000 -5.529) 5.529 6.347 ( 0.000 0.000 5.890) 5.890 6.679 ( 0.000 0.000 -2.125) 2.125 6.812 ( 0.000 0.000 -0.526) 0.526 6.865 ( 0.000 0.000 -1.301) 1.301 7.131 ( 0.000 0.000 -1.044) 1.044 7.497 ( 0.000 0.000 4.187) 4.187 7.539 ( 0.000 0.000 2.492) 2.492 8.277 ( 0.000 0.000 2.542) 2.542 8.301 ( 0.000 0.000 -2.001) 2.001 8.603 ( 0.000 0.000 1.274) 1.274 8.809 ( 0.000 0.000 -7.189) 7.189 8.903 ( 0.000 0.000 -21.879) 21.879 9.462 ( 0.000 0.000 -5.676) 5.676 9.945 ( 0.000 0.000 -4.568) 4.568 10.218 ( 0.000 0.000 -4.884) 4.884 10.320 ( 0.000 0.000 -6.482) 6.482 10.365 ( 0.000 0.000 -6.783) 6.783 10.508 ( 0.000 0.000 0.073) 0.073 10.774 ( 0.000 0.000 7.346) 7.346 11.066 ( 0.000 0.000 1.939) 1.939 11.232 ( 0.000 0.000 -6.763) 6.763 11.344 ( 0.000 0.000 6.049) 6.049 11.746 ( 0.000 0.000 -18.377) 18.377 11.952 ( 0.000 0.000 -1.506) 1.506 12.153 ( 0.000 0.000 5.562) 5.562 12.637 ( 0.000 0.000 -1.084) 1.084 12.754 ( 0.000 0.000 1.028) 1.028 13.631 ( 0.000 0.000 6.379) 6.379 14.643 ( 0.000 0.000 11.539) 11.539 14.967 ( 0.000 0.000 5.472) 5.472 15.506 ( 0.000 0.000 -8.647) 8.647 ======================= Grid point 127 (42/140) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -5.653 0.000 25.996) 26.603 1.224 ( 13.011 0.000 23.592) 26.942 2.080 ( 35.088 0.000 30.149) 46.262 2.805 ( -2.610 0.000 2.180) 3.401 3.033 ( 1.807 0.000 6.650) 6.891 3.466 ( -13.618 0.000 -4.338) 14.293 3.501 ( 1.935 0.000 9.319) 9.517 3.998 ( 4.296 0.000 3.418) 5.490 4.033 ( -1.617 0.000 6.701) 6.894 4.423 ( -3.757 0.000 4.954) 6.217 4.841 ( -11.549 0.000 6.013) 13.021 5.151 ( 1.051 0.000 -10.483) 10.536 5.556 ( -1.770 0.000 -6.567) 6.802 5.599 ( 10.908 0.000 -3.989) 11.615 5.687 ( -10.277 0.000 16.245) 19.223 5.908 ( -2.501 0.000 -3.765) 4.520 6.091 ( -8.338 0.000 -1.366) 8.449 6.346 ( -19.175 0.000 4.980) 19.811 6.361 ( 1.367 0.000 5.728) 5.889 6.753 ( -5.368 0.000 -0.131) 5.370 6.844 ( -13.668 0.000 1.627) 13.764 7.146 ( 18.084 0.000 -9.374) 20.369 7.458 ( -8.041 0.000 2.204) 8.338 7.863 ( 18.025 0.000 -2.270) 18.167 8.171 ( -1.182 0.000 -5.286) 5.417 8.479 ( 7.251 0.000 2.834) 7.785 8.721 ( 11.632 0.000 0.887) 11.665 8.864 ( 3.678 0.000 -11.011) 11.609 8.911 ( 1.206 0.000 -19.074) 19.112 9.410 ( -5.320 0.000 -4.973) 7.282 9.931 ( -1.111 0.000 -3.836) 3.993 10.195 ( -2.238 0.000 -5.854) 6.267 10.279 ( -3.852 0.000 -6.026) 7.152 10.352 ( -1.277 0.000 -5.232) 5.385 10.527 ( 2.100 0.000 -0.432) 2.144 10.751 ( -2.108 0.000 7.211) 7.513 11.033 ( -2.621 0.000 -1.775) 3.165 11.233 ( -0.419 0.000 -3.547) 3.571 11.259 ( -7.838 0.000 6.698) 10.310 11.586 ( -7.200 0.000 -5.057) 8.798 12.126 ( 10.232 0.000 -9.697) 14.097 12.209 ( 5.054 0.000 4.830) 6.991 12.687 ( 3.600 0.000 -5.082) 6.228 12.743 ( -1.144 0.000 1.061) 1.560 13.730 ( 7.642 0.000 5.801) 9.595 14.563 ( -7.086 0.000 13.549) 15.291 15.031 ( 5.654 0.000 1.666) 5.894 15.502 ( -0.393 0.000 -8.565) 8.574 ======================= Grid point 128 (43/140) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 20.604 0.000 8.438) 22.265 1.557 ( 19.205 0.000 17.492) 25.977 2.728 ( 13.865 0.000 19.079) 23.585 2.810 ( 8.820 0.000 -1.106) 8.889 3.002 ( 3.765 0.000 6.341) 7.374 3.147 ( -17.615 0.000 0.391) 17.619 3.566 ( 2.235 0.000 8.949) 9.224 4.055 ( 6.133 0.000 7.276) 9.516 4.068 ( 2.673 0.000 1.952) 3.311 4.334 ( -4.766 0.000 5.017) 6.920 4.647 ( -6.319 0.000 14.222) 15.563 5.209 ( 4.580 0.000 -10.821) 11.751 5.426 ( -8.858 0.000 14.316) 16.835 5.533 ( -10.317 0.000 -5.033) 11.479 5.750 ( -1.832 0.000 -1.630) 2.452 5.849 ( -11.781 0.000 3.877) 12.403 5.932 ( 9.978 0.000 -6.650) 11.991 6.061 ( -9.674 0.000 2.674) 10.037 6.407 ( 3.425 0.000 4.999) 6.060 6.590 ( -12.538 0.000 1.856) 12.675 6.623 ( -7.087 0.000 0.695) 7.121 7.243 ( -12.458 0.000 -0.191) 12.460 7.535 ( 20.005 0.000 -9.995) 22.362 8.127 ( 9.596 0.000 -2.302) 9.868 8.217 ( 4.701 0.000 -8.526) 9.736 8.569 ( 1.584 0.000 -5.077) 5.318 8.893 ( -1.205 0.000 -13.157) 13.212 8.962 ( 7.720 0.000 -12.119) 14.369 9.019 ( 13.142 0.000 5.231) 14.145 9.253 ( -9.929 0.000 -4.259) 10.804 9.910 ( -0.766 0.000 -2.887) 2.987 10.134 ( -3.629 0.000 -7.140) 8.010 10.177 ( -6.021 0.000 -4.671) 7.621 10.310 ( -3.065 0.000 -1.988) 3.653 10.599 ( 4.892 0.000 -2.330) 5.419 10.701 ( -2.451 0.000 6.669) 7.105 10.975 ( -3.190 0.000 -6.386) 7.139 11.063 ( -10.893 0.000 7.579) 13.270 11.229 ( 0.810 0.000 0.678) 1.056 11.500 ( -2.743 0.000 0.316) 2.761 12.328 ( 10.180 0.000 -10.721) 14.784 12.329 ( 6.455 0.000 3.553) 7.369 12.708 ( -2.335 0.000 1.171) 2.612 12.744 ( 1.811 0.000 -8.397) 8.590 13.866 ( 5.436 0.000 8.234) 9.866 14.394 ( -9.202 0.000 14.570) 17.232 15.163 ( 6.920 0.000 -2.697) 7.427 15.488 ( -1.110 0.000 -8.254) 8.328 ======================= Grid point 129 (44/140) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 27.014 0.000 0.024) 27.014 1.963 ( 20.754 0.000 12.392) 24.172 2.541 ( -18.367 0.000 2.630) 18.555 2.775 ( -19.322 0.000 4.478) 19.834 2.955 ( 7.448 0.000 -3.570) 8.260 3.279 ( 0.040 0.000 1.601) 1.601 3.739 ( 23.657 0.000 17.622) 29.499 4.115 ( 2.360 0.000 1.794) 2.965 4.243 ( -4.158 0.000 3.768) 5.611 4.283 ( 13.897 0.000 8.071) 16.071 4.558 ( -4.215 0.000 8.916) 9.862 5.145 ( -22.468 0.000 4.705) 22.955 5.325 ( 6.804 0.000 -8.383) 10.797 5.327 ( -2.528 0.000 14.363) 14.584 5.631 ( -11.997 0.000 4.832) 12.934 5.633 ( -7.581 0.000 -3.418) 8.316 5.995 ( 3.058 0.000 1.865) 3.582 6.170 ( 10.954 0.000 -4.362) 11.790 6.341 ( -11.941 0.000 1.620) 12.050 6.483 ( -6.719 0.000 0.916) 6.781 6.515 ( 7.801 0.000 2.302) 8.134 6.983 ( -13.265 0.000 -2.369) 13.475 7.922 ( 17.894 0.000 -8.574) 19.842 8.267 ( 3.625 0.000 -2.715) 4.528 8.329 ( 6.077 0.000 -10.925) 12.502 8.545 ( -3.489 0.000 -12.088) 12.581 8.838 ( -2.773 0.000 -12.261) 12.570 9.038 ( -10.791 0.000 -5.336) 12.038 9.139 ( 9.711 0.000 -3.779) 10.420 9.258 ( 8.258 0.000 5.529) 9.938 9.910 ( 0.978 0.000 -2.053) 2.274 10.054 ( -5.808 0.000 -3.233) 6.648 10.073 ( -1.441 0.000 -5.800) 5.976 10.225 ( -5.393 0.000 0.207) 5.397 10.671 ( -0.099 0.000 6.094) 6.095 10.707 ( 5.587 0.000 -4.242) 7.015 10.853 ( -9.345 0.000 7.539) 12.007 10.903 ( -4.039 0.000 -7.181) 8.239 11.275 ( 3.598 0.000 2.248) 4.242 11.441 ( -3.536 0.000 2.127) 4.126 12.455 ( 5.960 0.000 2.506) 6.465 12.527 ( 9.191 0.000 -11.116) 14.424 12.649 ( -3.586 0.000 1.395) 3.847 12.750 ( -1.452 0.000 -10.012) 10.117 13.960 ( 4.497 0.000 11.235) 12.102 14.213 ( -8.479 0.000 14.072) 16.429 15.293 ( 5.816 0.000 -5.110) 7.741 15.454 ( -2.318 0.000 -7.623) 7.968 ======================= Grid point 130 (45/140) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -24.851 0.000 -0.569) 24.858 2.100 ( 24.851 0.000 -0.569) 24.858 2.376 ( -20.368 0.000 8.285) 21.988 2.376 ( 20.368 0.000 8.285) 21.988 3.134 ( -9.734 0.000 -2.161) 9.971 3.134 ( 9.734 0.000 -2.161) 9.971 4.170 ( -3.147 0.000 2.478) 4.006 4.170 ( 3.147 0.000 2.478) 4.006 4.245 ( -20.118 0.000 12.016) 23.433 4.245 ( 20.118 0.000 12.016) 23.433 4.696 ( -19.480 0.000 5.784) 20.321 4.696 ( 19.480 0.000 5.784) 20.321 5.402 ( -9.122 0.000 12.464) 15.445 5.402 ( 9.122 0.000 12.464) 15.445 5.474 ( -7.944 0.000 -5.564) 9.699 5.474 ( 7.944 0.000 -5.564) 9.699 6.126 ( -9.142 0.000 0.941) 9.190 6.126 ( 9.142 0.000 0.941) 9.190 6.347 ( -7.192 0.000 -0.414) 7.204 6.347 ( 7.192 0.000 -0.414) 7.204 6.723 ( -12.314 0.000 -1.890) 12.458 6.723 ( 12.314 0.000 -1.890) 12.458 8.212 ( -9.682 0.000 -5.748) 11.260 8.212 ( 9.682 0.000 -5.748) 11.260 8.449 ( -5.665 0.000 -12.758) 13.960 8.449 ( 5.665 0.000 -12.758) 13.960 8.859 ( -5.768 0.000 -8.575) 10.334 8.859 ( 5.768 0.000 -8.575) 10.334 9.297 ( -4.305 0.000 1.257) 4.484 9.297 ( 4.305 0.000 1.257) 4.484 9.957 ( -3.712 0.000 -2.154) 4.292 9.957 ( 3.712 0.000 -2.154) 4.292 10.111 ( -4.971 0.000 -1.304) 5.140 10.111 ( 4.971 0.000 -1.304) 5.140 10.712 ( -4.470 0.000 6.568) 7.945 10.712 ( 4.470 0.000 6.568) 7.945 10.813 ( -4.914 0.000 -5.899) 7.677 10.813 ( 4.914 0.000 -5.899) 7.677 11.359 ( -4.404 0.000 2.488) 5.058 11.359 ( 4.404 0.000 2.488) 5.058 12.564 ( -4.848 0.000 1.808) 5.174 12.564 ( 4.848 0.000 1.808) 5.174 12.679 ( -5.715 0.000 -10.922) 12.327 12.679 ( 5.715 0.000 -10.922) 12.327 14.065 ( -6.241 0.000 13.054) 14.470 14.065 ( 6.241 0.000 13.054) 14.470 15.392 ( -4.002 0.000 -6.607) 7.724 15.392 ( 4.002 0.000 -6.607) 7.724 ======================= Grid point 135 (46/140) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 13.451 23.186) 26.806 1.263 ( 0.000 11.681 23.964) 26.660 1.908 ( 0.000 29.418 28.235) 40.775 2.822 ( 0.000 -5.059 5.352) 7.364 2.895 ( 0.000 -5.664 6.079) 8.308 3.475 ( 0.000 -0.791 9.784) 9.816 3.615 ( 0.000 -2.391 -7.772) 8.132 3.867 ( 0.000 -6.266 7.167) 9.520 3.998 ( 0.000 -4.166 5.678) 7.043 4.427 ( 0.000 -4.255 1.730) 4.594 4.758 ( 0.000 -15.537 8.773) 17.843 5.204 ( 0.000 4.153 -7.039) 8.173 5.304 ( 0.000 -7.671 0.825) 7.715 5.553 ( 0.000 -7.568 -3.836) 8.485 5.836 ( 0.000 -0.929 20.447) 20.468 5.989 ( 0.000 3.400 -8.763) 9.400 6.188 ( 0.000 3.784 -6.422) 7.454 6.207 ( 0.000 -3.269 -0.342) 3.287 6.661 ( 0.000 -0.865 -2.649) 2.787 6.844 ( 0.000 2.298 0.724) 2.410 7.015 ( 0.000 0.227 -4.672) 4.678 7.243 ( 0.000 11.378 -3.061) 11.783 7.477 ( 0.000 -1.722 3.818) 4.189 7.554 ( 0.000 2.176 1.018) 2.402 8.078 ( 0.000 -13.589 3.018) 13.921 8.322 ( 0.000 1.820 -1.426) 2.312 8.574 ( 0.000 -2.776 1.042) 2.965 8.631 ( 0.000 -8.489 -10.252) 13.310 9.128 ( 0.000 11.247 -14.410) 18.280 9.439 ( 0.000 -1.571 -5.412) 5.635 9.874 ( 0.000 -4.362 -5.688) 7.168 10.223 ( 0.000 -10.326 -4.936) 11.445 10.343 ( 0.000 8.721 -6.221) 10.712 10.375 ( 0.000 4.207 -5.486) 6.913 10.489 ( 0.000 -1.056 1.041) 1.483 10.873 ( 0.000 8.530 6.724) 10.862 11.119 ( 0.000 4.780 0.503) 4.806 11.178 ( 0.000 -3.452 8.727) 9.385 11.330 ( 0.000 0.541 -1.197) 1.313 11.567 ( 0.000 -13.575 -16.777) 21.581 11.926 ( 0.000 -2.000 -1.629) 2.580 12.231 ( 0.000 7.019 7.084) 9.972 12.752 ( 0.000 7.986 -3.870) 8.874 12.911 ( 0.000 5.021 -5.884) 7.735 13.721 ( 0.000 8.826 5.217) 10.253 14.701 ( 0.000 5.082 6.301) 8.095 14.968 ( 0.000 0.003 4.728) 4.728 15.423 ( 0.000 -7.645 -8.294) 11.280 ======================= Grid point 136 (47/140) ======================= q-point: ( 0.12 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -3.978 14.608 20.572) 25.543 1.435 ( 11.253 16.645 20.265) 28.536 2.294 ( 29.884 19.488 24.591) 43.331 2.756 ( -1.959 -4.458 2.726) 5.581 2.999 ( 4.258 -3.745 6.665) 8.751 3.425 ( -9.961 -3.028 2.100) 10.621 3.467 ( -4.338 -2.183 3.757) 6.140 3.963 ( 2.098 -5.543 6.014) 8.443 3.997 ( 4.003 -1.730 4.437) 6.221 4.402 ( -2.444 -3.175 2.554) 4.752 4.688 ( -5.668 -11.041 11.744) 17.087 5.107 ( -4.002 -2.311 -4.490) 6.444 5.461 ( 7.713 -3.876 -3.336) 9.254 5.570 ( 1.233 -8.189 -0.894) 8.330 5.687 ( -8.820 1.048 16.271) 18.537 5.988 ( -0.614 4.958 -8.394) 9.768 6.085 ( -9.790 -0.036 -0.121) 9.791 6.179 ( -3.930 -0.405 -3.198) 5.082 6.634 ( -7.840 7.726 2.188) 11.222 6.764 ( -5.713 2.982 0.350) 6.454 6.822 ( -12.844 -1.883 1.806) 13.106 7.204 ( 11.187 4.661 -6.629) 13.813 7.461 ( -8.181 0.101 1.713) 8.359 7.754 ( 9.008 -10.006 -2.279) 13.655 8.144 ( 8.457 -1.723 -4.914) 9.932 8.461 ( 8.437 -0.640 1.057) 8.527 8.638 ( 7.225 -5.036 -0.693) 8.835 8.714 ( 7.385 -6.912 -11.261) 15.137 9.128 ( 0.331 10.781 -12.270) 16.337 9.395 ( -4.486 -0.889 -5.159) 6.894 9.849 ( -2.044 -4.963 -4.646) 7.099 10.176 ( -3.486 -7.847 -6.552) 10.801 10.342 ( -2.910 4.783 -4.972) 7.488 10.386 ( 1.571 8.136 -3.759) 9.099 10.499 ( 2.131 -1.764 -1.248) 3.035 10.827 ( -4.278 6.199 8.191) 11.127 11.071 ( -4.763 -0.205 0.951) 4.862 11.138 ( -3.204 0.657 4.612) 5.654 11.327 ( -1.048 2.661 -1.372) 3.172 11.512 ( -2.597 -7.812 -11.302) 13.983 12.025 ( 7.679 -6.024 -2.353) 10.039 12.241 ( 1.154 5.021 6.972) 8.669 12.776 ( 2.149 7.453 -4.108) 8.778 12.924 ( 1.068 6.722 -5.746) 8.908 13.782 ( 5.033 5.864 5.590) 9.538 14.618 ( -7.330 5.095 8.740) 12.493 15.022 ( 4.717 -0.930 1.564) 5.056 15.421 ( -0.263 -7.529 -8.229) 11.157 ======================= Grid point 137 (48/140) ======================= q-point: ( 0.25 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 17.166 12.169 7.888) 22.471 1.719 ( 16.378 13.620 15.827) 26.537 2.756 ( 4.414 -5.021 -2.625) 7.183 2.856 ( 6.930 10.478 14.269) 19.011 3.019 ( 6.353 0.770 6.239) 8.938 3.158 ( -9.019 2.806 4.179) 10.328 3.482 ( 3.014 -5.944 8.081) 10.474 3.966 ( 2.049 -5.399 6.160) 8.444 4.140 ( 8.090 1.454 5.387) 9.828 4.339 ( -3.366 -0.436 3.180) 4.651 4.591 ( -3.303 -4.543 13.110) 14.263 5.074 ( 0.186 -7.393 -4.445) 8.628 5.414 ( -10.953 -2.972 14.442) 18.368 5.521 ( -0.420 -2.794 -3.371) 4.398 5.700 ( -6.190 -1.437 -1.642) 6.563 5.872 ( -2.502 -0.249 2.781) 3.749 5.983 ( -2.463 5.823 -7.233) 9.607 6.059 ( -3.606 -0.514 -1.083) 3.800 6.391 ( -11.460 -1.790 2.397) 11.844 6.657 ( -4.810 5.335 0.543) 7.204 6.698 ( -3.744 6.449 4.370) 8.644 7.228 ( -12.727 -1.307 -1.399) 12.871 7.515 ( 16.837 -1.982 -7.838) 18.677 7.894 ( 6.484 -14.578 -4.052) 16.461 8.326 ( 8.570 3.878 -7.397) 11.966 8.550 ( 1.037 -1.641 -5.125) 5.481 8.789 ( 4.749 -4.946 -8.295) 10.762 8.922 ( 12.435 -3.752 -4.864) 13.869 9.164 ( 3.948 9.271 -5.090) 11.289 9.262 ( -8.329 1.207 -4.588) 9.585 9.815 ( -0.943 -5.545 -3.390) 6.567 10.099 ( -4.214 -5.556 -8.040) 10.643 10.268 ( -3.993 5.363 -3.488) 7.541 10.373 ( -1.989 5.765 -0.315) 6.107 10.573 ( 3.037 0.743 -3.414) 4.629 10.726 ( -4.681 1.503 8.792) 10.073 10.935 ( -7.894 -6.008 2.869) 10.327 11.072 ( -3.436 5.599 -3.870) 7.625 11.303 ( -0.124 4.038 0.361) 4.056 11.492 ( -0.430 -1.595 -4.701) 4.983 12.180 ( 7.108 -9.185 -1.902) 11.769 12.277 ( 2.290 0.282 5.483) 5.948 12.827 ( 2.810 8.413 -4.186) 9.808 12.946 ( 0.998 9.094 -5.561) 10.706 13.883 ( 4.651 2.916 7.613) 9.386 14.442 ( -9.630 4.857 10.544) 15.083 15.133 ( 5.951 -2.727 -2.301) 6.939 15.411 ( -0.832 -7.152 -7.966) 10.738 ======================= Grid point 138 (49/140) ======================= q-point: ( 0.38 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 24.788 7.281 0.604) 25.842 2.061 ( 16.920 8.550 11.196) 22.017 2.618 ( -17.437 7.258 2.545) 19.058 2.791 ( -15.787 1.680 3.413) 16.239 2.899 ( 7.503 -5.114 -2.491) 9.415 3.262 ( -4.912 -2.168 2.081) 5.758 3.768 ( 25.636 3.523 14.545) 29.684 4.056 ( 5.580 -4.384 4.420) 8.360 4.249 ( -1.187 -1.447 5.510) 5.819 4.370 ( 11.282 5.565 4.770) 13.453 4.538 ( -3.377 -1.018 8.941) 9.612 5.048 ( -8.741 -8.573 0.240) 12.246 5.198 ( -6.878 -3.430 8.548) 11.495 5.384 ( -11.339 0.282 6.594) 13.120 5.560 ( -0.242 -0.668 0.427) 0.829 5.796 ( -10.642 6.711 1.200) 12.638 5.915 ( 2.808 -4.626 -0.727) 5.460 6.139 ( -3.168 -3.959 -1.348) 5.247 6.254 ( 5.591 -4.310 -3.010) 7.674 6.566 ( -4.972 6.304 -0.104) 8.030 6.660 ( 0.826 9.515 3.929) 10.327 6.966 ( -12.687 -0.888 -2.180) 12.903 7.839 ( 14.180 -7.791 -7.993) 18.046 8.013 ( 4.705 -14.408 -5.493) 16.121 8.478 ( 6.095 5.281 -8.493) 11.712 8.536 ( -1.359 -0.158 -10.403) 10.492 8.817 ( -0.637 -1.544 -10.384) 10.517 9.030 ( -7.708 -1.594 -6.814) 10.411 9.193 ( 7.389 4.195 -2.347) 8.815 9.281 ( 5.871 3.517 2.122) 7.166 9.825 ( 2.279 -4.453 -2.781) 5.723 10.006 ( -5.055 -2.670 -6.921) 8.976 10.206 ( -1.473 5.896 -1.952) 6.383 10.318 ( -3.769 7.077 0.887) 8.067 10.553 ( -2.749 -5.800 4.374) 7.767 10.650 ( -5.405 -5.426 5.588) 9.481 10.849 ( 1.280 0.474 -2.206) 2.594 10.999 ( -3.856 5.766 -5.788) 9.034 11.335 ( 2.957 4.419 1.090) 5.427 11.467 ( -2.284 1.664 -1.481) 3.190 12.294 ( 4.015 -10.510 -0.853) 11.283 12.321 ( 1.790 -4.935 3.096) 6.094 12.886 ( 2.924 10.427 -4.336) 11.665 12.957 ( -0.101 10.362 -5.357) 11.665 13.974 ( 4.865 2.648 9.440) 10.945 14.252 ( -9.030 4.346 10.628) 14.607 15.246 ( 5.071 -4.326 -4.764) 8.193 15.384 ( -1.896 -6.496 -7.377) 10.011 ======================= Grid point 139 (50/140) ======================= q-point: (-0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -20.443 3.163 0.214) 20.687 2.129 ( 20.443 3.163 0.214) 20.687 2.471 ( -13.783 8.518 7.041) 17.667 2.471 ( 13.783 8.518 7.041) 17.667 3.087 ( -10.179 -4.236 -1.067) 11.077 3.087 ( 10.179 -4.236 -1.067) 11.077 4.101 ( -4.653 -4.266 4.407) 7.698 4.101 ( 4.653 -4.266 4.407) 7.698 4.363 ( -13.618 6.761 7.935) 17.150 4.363 ( 13.618 6.761 7.935) 17.150 4.688 ( -19.275 -0.261 6.399) 20.311 4.688 ( 19.275 -0.261 6.399) 20.311 5.223 ( -5.427 -8.095 6.674) 11.812 5.223 ( 5.427 -8.095 6.674) 11.812 5.619 ( -6.202 5.774 2.674) 8.886 5.619 ( 6.202 5.774 2.674) 8.886 6.004 ( -6.227 -7.224 -0.290) 9.541 6.004 ( 6.227 -7.224 -0.290) 9.541 6.440 ( -8.188 3.511 -2.749) 9.324 6.440 ( 8.188 3.511 -2.749) 9.324 6.748 ( -8.167 3.775 0.239) 9.001 6.748 ( 8.167 3.775 0.239) 9.001 8.032 ( -4.158 -13.272 -6.856) 15.506 8.032 ( 4.158 -13.272 -6.856) 15.506 8.531 ( -0.438 4.697 -10.753) 11.742 8.531 ( 0.438 4.697 -10.753) 11.742 8.861 ( -6.424 -0.186 -8.400) 10.576 8.861 ( 6.424 -0.186 -8.400) 10.576 9.319 ( -2.885 2.423 0.204) 3.773 9.319 ( 2.885 2.423 0.204) 3.773 9.903 ( -4.967 -2.504 -3.811) 6.743 9.903 ( 4.967 -2.504 -3.811) 6.743 10.230 ( -3.838 7.360 0.161) 8.302 10.230 ( 3.838 7.360 0.161) 8.302 10.551 ( -2.896 -9.102 5.727) 11.137 10.551 ( 2.896 -9.102 5.727) 11.137 10.918 ( -4.181 4.801 -5.082) 8.146 10.918 ( 4.181 4.801 -5.082) 8.146 11.405 ( -3.645 3.531 0.238) 5.080 11.405 ( 3.645 3.531 0.238) 5.080 12.337 ( -0.469 -8.963 0.854) 9.015 12.337 ( 0.469 -8.963 0.854) 9.015 12.937 ( -1.916 10.972 -4.853) 12.149 12.937 ( 1.916 10.972 -4.853) 12.149 14.090 ( -6.908 3.523 10.244) 12.848 14.090 ( 6.908 3.523 10.244) 12.848 15.332 ( -3.435 -5.564 -6.350) 9.114 15.332 ( 3.435 -5.564 -6.350) 9.114 ======================= Grid point 144 (51/140) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.000 17.355 16.573) 23.997 1.598 ( 0.000 18.857 17.023) 25.404 2.559 ( 0.000 9.152 6.436) 11.188 2.720 ( 0.000 -10.799 7.852) 13.352 2.744 ( 0.000 17.513 14.754) 22.899 3.488 ( 0.000 1.076 9.140) 9.203 3.506 ( 0.000 -7.107 -5.243) 8.831 3.706 ( 0.000 -6.150 6.827) 9.189 3.922 ( 0.000 -3.319 5.400) 6.338 4.272 ( 0.000 -9.844 -1.256) 9.924 4.496 ( 0.000 -7.895 16.220) 18.040 5.142 ( 0.000 -14.488 7.579) 16.351 5.331 ( 0.000 7.334 -6.869) 10.049 5.350 ( 0.000 -3.428 3.469) 4.876 5.805 ( 0.000 -1.769 19.803) 19.882 5.986 ( 0.000 -3.301 -8.735) 9.338 6.239 ( 0.000 4.072 -8.382) 9.318 6.302 ( 0.000 4.888 -9.480) 10.666 6.680 ( 0.000 3.206 -2.729) 4.210 6.889 ( 0.000 1.897 1.951) 2.722 6.953 ( 0.000 -4.232 -1.873) 4.628 7.296 ( 0.000 -5.895 -3.063) 6.643 7.442 ( 0.000 -1.136 2.843) 3.062 7.616 ( 0.000 -1.900 0.612) 1.996 7.930 ( 0.000 4.127 -1.437) 4.370 8.367 ( 0.000 1.968 -0.506) 2.032 8.488 ( 0.000 -5.194 0.039) 5.194 8.493 ( 0.000 -4.233 -7.224) 8.372 9.318 ( 0.000 6.664 -11.000) 12.861 9.420 ( 0.000 -0.006 -6.327) 6.327 9.805 ( 0.000 -1.902 -5.860) 6.161 10.021 ( 0.000 -8.111 -4.266) 9.165 10.450 ( 0.000 2.124 -1.799) 2.784 10.450 ( 0.000 0.068 -2.989) 2.990 10.554 ( 0.000 8.447 -4.167) 9.419 11.062 ( 0.000 6.955 8.256) 10.795 11.142 ( 0.000 -0.029 9.724) 9.724 11.261 ( 0.000 -13.879 -12.563) 18.720 11.278 ( 0.000 10.597 -5.981) 12.169 11.370 ( 0.000 2.484 -5.975) 6.471 11.891 ( 0.000 -0.339 -0.093) 0.352 12.434 ( 0.000 11.778 9.252) 14.977 12.698 ( 0.000 -12.783 0.899) 12.814 12.997 ( 0.000 2.561 -6.225) 6.732 13.975 ( 0.000 15.055 3.026) 15.356 14.828 ( 0.000 6.067 0.152) 6.069 14.954 ( 0.000 -2.200 1.597) 2.718 15.198 ( 0.000 -12.687 -6.059) 14.060 ======================= Grid point 145 (52/140) ======================= q-point: ( 0.12 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -2.112 20.192 12.777) 23.988 1.818 ( 11.768 18.629 16.338) 27.431 2.546 ( -0.441 -8.368 1.072) 8.448 2.837 ( 9.303 -4.498 7.755) 12.919 2.920 ( 16.193 22.993 15.923) 32.318 3.386 ( -8.577 -1.509 -0.912) 8.757 3.436 ( -4.694 0.947 8.301) 9.583 3.789 ( 4.213 -9.350 5.224) 11.509 3.936 ( 2.353 -4.320 5.519) 7.393 4.273 ( 0.487 -8.013 -0.992) 8.088 4.493 ( -0.042 -6.294 15.337) 16.579 5.069 ( -5.272 -7.107 6.342) 10.887 5.310 ( 0.025 -6.113 -0.812) 6.167 5.469 ( 5.873 1.053 1.061) 6.060 5.711 ( -5.177 1.180 13.660) 14.656 5.990 ( -0.879 -3.801 -5.704) 6.910 6.143 ( -9.038 4.428 -6.280) 11.863 6.249 ( -5.295 3.723 -8.292) 10.519 6.694 ( -6.374 1.784 -3.883) 7.674 6.783 ( -7.526 -1.367 2.634) 8.090 6.867 ( -2.793 4.164 1.634) 5.274 7.293 ( 3.466 2.438 -1.738) 4.580 7.443 ( -1.998 -3.677 0.889) 4.278 7.501 ( -5.496 -10.248 -0.821) 11.658 8.144 ( 13.860 2.352 -6.241) 15.382 8.464 ( 4.315 -0.041 -1.793) 4.673 8.541 ( 7.718 -4.041 -1.268) 8.804 8.595 ( 10.074 -3.698 -6.230) 12.409 9.316 ( 0.086 6.685 -9.779) 11.846 9.393 ( -2.668 0.860 -6.024) 6.644 9.774 ( -2.482 -1.737 -5.412) 6.202 9.996 ( -2.355 -7.803 -4.668) 9.393 10.413 ( -2.397 1.138 -0.878) 2.795 10.455 ( -1.595 -1.261 0.562) 2.109 10.596 ( 4.755 9.641 -8.370) 13.624 10.958 ( -9.140 5.004 9.645) 14.199 11.047 ( -8.017 0.183 5.543) 9.748 11.253 ( 0.554 -0.153 -8.211) 8.231 11.283 ( -1.636 -2.858 -10.963) 11.447 11.422 ( 4.167 4.288 -2.825) 6.613 11.942 ( 4.645 -1.094 1.214) 4.924 12.427 ( -0.752 11.701 9.803) 15.283 12.735 ( 3.454 -11.682 1.560) 12.281 13.020 ( 1.933 1.828 -5.486) 6.097 13.997 ( 2.028 14.389 3.100) 14.858 14.757 ( -6.368 7.201 1.725) 9.766 14.984 ( 2.603 -3.402 -0.282) 4.293 15.199 ( 0.042 -12.580 -6.158) 14.006 ======================= Grid point 146 (53/140) ======================= q-point: ( 0.25 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 11.896 18.552 5.334) 22.675 2.061 ( 12.292 17.592 13.761) 25.494 2.589 ( 5.026 -10.558 -2.013) 11.865 2.937 ( -0.264 -5.403 2.837) 6.108 3.116 ( -10.023 9.130 3.197) 13.930 3.321 ( -2.575 3.870 8.145) 9.378 3.436 ( 19.527 10.522 11.377) 24.929 3.836 ( 3.028 -6.057 7.286) 9.947 4.021 ( 4.317 -12.132 4.976) 13.805 4.316 ( 4.475 -1.336 0.543) 4.702 4.505 ( 1.451 -3.119 13.154) 13.597 4.974 ( -3.953 -5.384 5.448) 8.620 5.269 ( -5.639 -6.015 5.256) 9.777 5.493 ( 0.298 -0.110 8.781) 8.786 5.727 ( 0.300 3.246 -4.185) 5.305 5.872 ( -10.792 0.345 2.617) 11.110 6.010 ( 1.140 -2.164 -7.080) 7.490 6.096 ( -9.539 1.492 -4.070) 10.478 6.375 ( -16.628 1.992 -0.760) 16.764 6.748 ( -2.701 1.408 0.483) 3.084 6.845 ( -0.010 6.881 3.590) 7.761 7.211 ( -11.521 0.487 -2.429) 11.785 7.450 ( 7.932 -4.380 -3.321) 9.651 7.584 ( 7.399 -13.458 -2.639) 15.583 8.373 ( 9.583 1.229 -8.773) 13.051 8.506 ( 1.292 -2.496 -5.754) 6.404 8.722 ( 7.214 -1.282 -6.449) 9.761 8.846 ( 12.590 -3.153 -3.834) 13.533 9.310 ( -3.485 3.824 -3.565) 6.283 9.347 ( 1.704 6.842 -7.768) 10.491 9.736 ( -0.590 -1.606 -4.925) 5.213 9.942 ( -2.594 -7.821 -5.423) 9.864 10.352 ( -3.599 1.703 0.653) 4.034 10.405 ( -2.662 -2.250 1.910) 3.975 10.708 ( 2.812 9.321 -7.586) 12.342 10.744 ( -10.630 0.752 10.753) 15.139 10.860 ( -8.347 -0.527 1.667) 8.529 11.210 ( -3.828 6.739 -7.665) 10.900 11.305 ( 2.936 -5.404 -8.800) 10.736 11.484 ( 1.693 2.500 -4.251) 5.214 12.056 ( 6.294 -1.043 3.332) 7.197 12.403 ( -1.656 10.640 10.259) 14.873 12.823 ( 5.029 -9.298 2.791) 10.933 13.056 ( 1.244 0.269 -3.094) 3.345 14.053 ( 3.535 13.608 3.004) 14.377 14.599 ( -8.825 9.353 2.827) 13.166 15.047 ( 3.476 -5.881 -2.725) 7.355 15.198 ( -0.158 -12.224 -6.328) 13.766 ======================= Grid point 147 (54/140) ======================= q-point: ( 0.38 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 19.352 13.295 0.496) 23.484 2.285 ( 8.646 11.855 8.807) 17.114 2.730 ( 5.720 -8.715 -2.686) 10.765 2.844 ( -6.869 5.984 1.188) 9.187 2.852 ( -10.966 8.792 3.634) 14.517 3.200 ( -8.777 -1.831 6.464) 11.053 3.793 ( 10.439 -6.227 3.702) 12.707 3.985 ( 4.436 -6.185 6.022) 9.705 4.133 ( 14.953 -1.243 9.191) 17.596 4.453 ( 7.797 2.331 2.821) 8.613 4.548 ( 2.687 0.634 10.750) 11.099 4.898 ( -5.059 -6.257 5.876) 9.963 5.132 ( -5.313 -1.034 8.362) 9.961 5.453 ( -18.662 6.604 2.870) 20.002 5.548 ( 4.456 -1.735 7.199) 8.642 5.800 ( -4.135 -1.998 -1.199) 4.747 5.912 ( -5.943 -0.833 -0.819) 6.057 6.086 ( -10.338 2.296 -1.946) 10.768 6.163 ( 10.371 -4.799 -4.965) 12.460 6.633 ( -8.967 -2.712 -1.199) 9.444 6.859 ( 1.535 9.631 2.274) 10.014 7.014 ( -7.417 6.640 -0.759) 9.984 7.611 ( 7.440 -12.793 -6.098) 16.006 7.717 ( 4.336 -13.229 -3.817) 14.435 8.536 ( 4.406 1.228 -10.547) 11.496 8.557 ( 6.586 1.493 -7.677) 10.225 8.791 ( 0.272 -0.537 -8.380) 8.402 8.967 ( -2.836 -3.760 -7.283) 8.673 9.306 ( 5.213 6.504 -0.525) 8.352 9.404 ( 2.659 6.968 -4.728) 8.831 9.766 ( 3.551 -1.500 -5.267) 6.527 9.901 ( -1.608 -6.981 -7.027) 10.035 10.289 ( -1.815 2.208 2.787) 3.992 10.370 ( -0.470 -4.229 4.798) 6.413 10.505 ( -11.100 1.644 7.474) 13.483 10.581 ( -10.621 -1.202 7.443) 13.025 10.898 ( 6.449 5.407 -9.065) 12.369 11.125 ( -4.656 6.461 -8.041) 11.317 11.374 ( 3.709 -2.737 -7.184) 8.536 11.488 ( -1.178 0.353 -5.625) 5.758 12.180 ( 5.793 1.039 5.316) 7.931 12.357 ( -2.980 8.045 9.437) 12.753 12.926 ( 4.938 -6.805 3.408) 9.072 13.059 ( -1.081 -1.879 0.111) 2.170 14.140 ( 5.228 13.426 2.519) 14.626 14.422 ( -8.580 11.404 2.645) 14.515 15.114 ( 3.008 -8.308 -4.586) 9.955 15.189 ( -0.800 -11.477 -6.280) 13.107 ======================= Grid point 148 (55/140) ======================= q-point: (-0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -14.852 7.826 0.766) 16.805 2.246 ( 14.852 7.826 0.766) 16.805 2.694 ( -4.763 9.638 2.775) 11.103 2.694 ( 4.763 9.638 2.775) 11.103 2.988 ( -11.583 -2.442 3.389) 12.314 2.988 ( 11.583 -2.442 3.389) 12.314 3.941 ( -5.375 -12.242 3.168) 13.740 3.941 ( 5.375 -12.242 3.168) 13.740 4.460 ( -9.291 3.148 5.500) 11.246 4.460 ( 9.291 3.148 5.500) 11.246 4.706 ( -12.711 0.566 8.851) 15.500 4.706 ( 12.711 0.566 8.851) 15.500 5.155 ( -8.578 2.722 6.836) 11.301 5.155 ( 8.578 2.722 6.836) 11.301 5.662 ( -6.968 -2.603 6.193) 9.679 5.662 ( 6.968 -2.603 6.193) 9.679 5.920 ( -5.103 0.889 -3.658) 6.342 5.920 ( 5.103 0.889 -3.658) 6.342 6.410 ( -12.522 -5.560 -3.985) 14.268 6.410 ( 12.522 -5.560 -3.985) 14.268 6.909 ( -3.556 10.315 1.119) 10.968 6.909 ( 3.556 10.315 1.119) 10.968 7.725 ( -3.305 -14.938 -5.711) 16.330 7.725 ( 3.305 -14.938 -5.711) 16.330 8.618 ( -2.843 3.753 -9.622) 10.713 8.618 ( 2.843 3.753 -9.622) 10.713 8.837 ( -6.626 -2.120 -8.112) 10.686 8.837 ( 6.626 -2.120 -8.112) 10.686 9.410 ( -2.808 6.169 -2.358) 7.176 9.410 ( 2.808 6.169 -2.358) 7.176 9.852 ( -3.875 -3.363 -7.207) 8.847 9.852 ( 3.875 -3.363 -7.207) 8.847 10.320 ( -5.482 0.022 5.943) 8.085 10.320 ( 5.482 0.022 5.943) 8.085 10.416 ( -4.893 -2.508 7.668) 9.435 10.416 ( 4.893 -2.508 7.668) 9.435 11.022 ( -5.690 6.016 -8.645) 11.971 11.022 ( 5.690 6.016 -8.645) 11.971 11.444 ( -3.068 -1.244 -6.425) 7.228 11.444 ( 3.068 -1.244 -6.425) 7.228 12.283 ( -4.460 4.459 7.507) 9.804 12.283 ( 4.460 4.459 7.507) 9.804 13.012 ( -3.482 -4.357 2.573) 6.142 13.012 ( 3.482 -4.357 2.573) 6.142 14.264 ( -7.098 12.872 2.284) 14.876 14.264 ( 7.098 12.872 2.284) 14.876 15.163 ( -1.875 -10.195 -5.750) 11.854 15.163 ( 1.875 -10.195 -5.750) 11.854 ======================= Grid point 153 (56/140) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 0.000 16.944 9.470) 19.411 2.004 ( 0.000 17.598 11.011) 20.759 2.357 ( 0.000 -12.859 6.904) 14.595 2.439 ( 0.000 -15.324 10.699) 18.690 3.325 ( 0.000 10.568 5.167) 11.764 3.380 ( 0.000 -3.520 -2.547) 4.345 3.534 ( 0.000 14.636 6.788) 16.134 3.739 ( 0.000 8.924 8.825) 12.551 3.814 ( 0.000 -7.675 7.068) 10.434 4.032 ( 0.000 -13.484 2.806) 13.773 4.444 ( 0.000 3.883 12.120) 12.727 4.713 ( 0.000 -20.597 7.931) 22.071 5.413 ( 0.000 5.110 8.846) 10.216 5.457 ( 0.000 2.606 0.135) 2.609 5.789 ( 0.000 1.526 9.310) 9.434 5.882 ( 0.000 -5.845 -4.626) 7.454 6.320 ( 0.000 2.967 -10.297) 10.716 6.352 ( 0.000 0.109 -10.264) 10.264 6.777 ( 0.000 4.737 -0.394) 4.753 6.864 ( 0.000 -3.986 0.320) 3.999 6.951 ( 0.000 5.065 -0.496) 5.089 7.114 ( 0.000 -9.474 -2.659) 9.840 7.444 ( 0.000 1.567 1.663) 2.285 7.512 ( 0.000 -4.871 1.102) 4.994 8.125 ( 0.000 10.525 -2.533) 10.825 8.324 ( 0.000 -7.659 -0.371) 7.668 8.425 ( 0.000 0.721 -2.214) 2.328 8.443 ( 0.000 -1.073 -4.051) 4.191 9.412 ( 0.000 2.350 -8.888) 9.194 9.429 ( 0.000 0.341 -7.791) 7.798 9.803 ( 0.000 1.886 -5.295) 5.621 9.881 ( 0.000 -5.236 -4.983) 7.228 10.451 ( 0.000 0.336 -0.107) 0.352 10.463 ( 0.000 -0.468 0.795) 0.923 10.751 ( 0.000 10.005 -8.238) 12.960 10.982 ( 0.000 -12.004 -11.111) 16.357 11.146 ( 0.000 1.733 7.103) 7.312 11.156 ( 0.000 0.508 7.480) 7.497 11.439 ( 0.000 3.403 -8.361) 9.027 11.462 ( 0.000 3.331 -10.556) 11.069 11.995 ( 0.000 12.135 3.459) 12.618 12.347 ( 0.000 -18.523 2.187) 18.651 12.703 ( 0.000 12.771 8.687) 15.445 12.934 ( 0.000 -8.026 3.430) 8.729 14.353 ( 0.000 19.758 -2.948) 19.977 14.760 ( 0.000 -17.025 -6.194) 18.116 14.936 ( 0.000 4.084 -0.101) 4.086 15.011 ( 0.000 -3.879 1.261) 4.078 ======================= Grid point 154 (57/140) ======================= q-point: ( 0.12 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -1.065 19.753 7.080) 21.010 2.178 ( 9.694 7.239 7.908) 14.454 2.308 ( 0.162 -5.107 8.058) 9.542 2.582 ( 9.343 -14.783 8.986) 19.662 3.317 ( -0.710 3.756 0.481) 3.853 3.406 ( 0.059 -3.838 1.331) 4.063 3.589 ( 5.635 18.160 7.993) 20.626 3.728 ( 0.033 8.857 8.048) 11.967 3.809 ( -0.613 -6.266 8.260) 10.386 4.077 ( 5.213 -12.066 3.043) 13.492 4.453 ( 1.005 3.754 11.402) 12.046 4.709 ( -0.231 -19.445 7.757) 20.936 5.385 ( -2.061 7.116 7.700) 10.685 5.487 ( 0.867 -1.386 6.871) 7.063 5.755 ( -1.385 3.754 3.584) 5.372 5.872 ( -0.957 -6.529 -4.873) 8.203 6.232 ( -8.662 3.475 -8.514) 12.634 6.278 ( -7.333 -0.758 -8.807) 11.486 6.743 ( -9.261 2.085 -1.815) 9.665 6.768 ( -3.321 -0.463 1.632) 3.729 6.961 ( 1.282 6.442 -1.008) 6.645 7.163 ( 3.504 -11.746 -3.011) 12.622 7.384 ( -3.040 1.614 2.424) 4.210 7.426 ( -5.976 -2.154 2.050) 6.676 8.241 ( 8.269 6.256 -5.991) 11.975 8.382 ( 2.976 -6.496 -4.280) 8.329 8.523 ( 10.163 1.170 -2.015) 10.426 8.549 ( 10.254 -1.282 -3.195) 10.817 9.408 ( -0.329 2.194 -7.739) 8.050 9.419 ( -0.612 0.911 -7.459) 7.540 9.780 ( -2.050 2.187 -5.409) 6.184 9.859 ( -2.135 -5.136 -4.858) 7.385 10.412 ( -3.147 -0.063 1.769) 3.611 10.428 ( -3.298 -1.373 1.576) 3.904 10.801 ( 4.211 9.741 -9.419) 14.189 11.002 ( -1.354 -7.244 -6.188) 9.623 11.041 ( -9.073 1.720 5.200) 10.598 11.081 ( -3.679 -2.922 1.947) 5.085 11.415 ( -1.669 5.765 -8.576) 10.468 11.492 ( 1.175 -0.336 -8.426) 8.514 12.051 ( 5.259 12.513 4.398) 14.268 12.400 ( 4.870 -18.045 3.041) 18.937 12.699 ( -0.500 13.123 9.276) 16.078 12.941 ( 0.462 -8.679 4.196) 9.651 14.369 ( 1.626 19.655 -3.106) 19.965 14.774 ( 1.370 -17.022 -6.295) 18.200 14.896 ( -3.728 5.613 -0.072) 6.738 15.002 ( -0.877 -5.107 0.463) 5.202 ======================= Grid point 155 (58/140) ======================= q-point: ( 0.25 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 8.228 18.773 2.334) 20.629 2.313 ( 5.816 -15.408 -0.084) 16.469 2.431 ( 9.415 16.812 10.682) 22.031 2.747 ( 6.012 -12.369 5.788) 14.921 3.289 ( -3.116 6.748 0.537) 7.452 3.345 ( -4.483 1.724 4.368) 6.492 3.618 ( -2.533 -1.224 6.116) 6.732 3.713 ( -3.128 -10.380 4.409) 11.704 3.964 ( 16.738 16.597 10.879) 25.961 4.245 ( 10.813 -7.050 4.420) 13.644 4.490 ( 2.721 3.412 9.888) 10.808 4.709 ( 0.244 -15.880 7.560) 17.590 5.318 ( -4.959 7.393 9.355) 12.914 5.458 ( -2.639 -4.320 13.315) 14.245 5.795 ( 4.547 3.052 -4.818) 7.294 5.860 ( -0.792 -2.429 -4.036) 4.776 6.000 ( -12.142 2.317 -5.792) 13.651 6.068 ( -13.009 -3.088 -5.073) 14.300 6.494 ( -13.208 8.217 -0.956) 15.585 6.673 ( -7.675 -7.464 0.272) 10.709 7.006 ( 3.036 8.539 -1.317) 9.158 7.195 ( 0.241 -6.986 -3.488) 7.812 7.337 ( -1.407 -0.151 1.073) 1.776 7.408 ( 3.327 -4.560 1.871) 5.946 8.400 ( 7.985 1.684 -8.739) 11.957 8.448 ( 4.164 -2.728 -7.439) 8.952 8.732 ( 8.542 1.892 -5.598) 10.387 8.785 ( 10.487 -2.761 -4.703) 11.821 9.399 ( 0.201 3.970 -4.276) 5.838 9.438 ( 2.793 1.144 -7.016) 7.637 9.740 ( -1.355 1.644 -6.128) 6.488 9.804 ( -2.912 -4.734 -4.599) 7.214 10.343 ( -3.458 -1.165 4.565) 5.844 10.350 ( -3.975 -1.988 4.169) 6.094 10.777 ( -11.167 2.693 5.129) 12.580 10.823 ( -12.556 -0.839 3.598) 13.088 10.943 ( 4.580 8.909 -8.610) 13.209 11.134 ( 4.965 -8.788 -10.205) 14.354 11.366 ( -3.210 7.014 -8.717) 11.640 11.488 ( -1.589 -3.493 -8.264) 9.111 12.187 ( 7.780 12.981 6.309) 16.396 12.524 ( 7.034 -16.735 5.049) 18.843 12.675 ( -2.113 13.600 10.333) 17.210 12.940 ( -0.927 -10.231 6.028) 11.911 14.417 ( 3.111 19.239 -3.440) 19.790 14.800 ( -4.869 6.499 -1.719) 8.300 14.812 ( 1.709 -14.142 -5.266) 15.187 14.978 ( -1.440 -7.986 -1.279) 8.215 ======================= Grid point 156 (59/140) ======================= q-point: ( 0.38 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 13.804 14.823 -0.542) 20.262 2.461 ( 8.204 -8.284 -0.452) 11.667 2.574 ( 3.092 7.345 4.853) 9.331 2.785 ( -2.588 -8.170 1.652) 8.728 3.175 ( -4.662 16.510 3.843) 17.580 3.288 ( -3.486 9.422 6.564) 12.000 3.561 ( -1.122 -12.689 4.749) 13.595 3.658 ( -2.692 -17.780 3.983) 18.419 4.323 ( 16.738 11.240 7.820) 21.625 4.471 ( 10.612 -2.049 5.327) 12.049 4.553 ( 3.055 2.525 8.280) 9.179 4.713 ( -0.378 -10.478 7.638) 12.972 5.226 ( -2.154 8.717 9.422) 13.015 5.429 ( 0.752 -8.994 11.153) 14.347 5.623 ( -17.279 8.421 2.057) 19.332 5.775 ( -14.110 -4.592 0.431) 14.845 5.894 ( 5.307 4.182 -5.702) 8.841 6.032 ( 8.955 -6.879 -5.742) 12.668 6.243 ( -11.538 10.187 -1.704) 15.485 6.474 ( -11.369 -10.548 -1.502) 15.581 7.075 ( 3.745 10.611 -1.286) 11.326 7.195 ( -0.956 7.820 -0.645) 7.905 7.349 ( 2.645 -9.838 -2.885) 10.588 7.456 ( 0.433 -11.357 -0.981) 11.408 8.558 ( 6.946 0.930 -9.173) 11.543 8.572 ( 9.028 -0.151 -8.990) 12.741 8.811 ( -0.933 2.485 -7.921) 8.354 8.884 ( -1.428 -3.973 -7.752) 8.827 9.456 ( 5.683 7.064 -2.360) 9.368 9.527 ( 5.271 2.708 -6.700) 8.945 9.730 ( -0.384 -2.068 -6.968) 7.279 9.760 ( -1.098 -4.724 -5.774) 7.540 10.289 ( -1.258 -1.761 8.259) 8.538 10.295 ( -0.692 -1.260 6.829) 6.979 10.530 ( -11.814 1.440 8.583) 14.673 10.564 ( -12.430 -1.234 6.097) 13.900 11.061 ( 6.193 8.849 -11.163) 15.533 11.234 ( 4.080 -5.115 -10.355) 12.249 11.293 ( -3.294 4.999 -9.952) 11.614 11.434 ( -3.634 -5.558 -9.139) 11.296 12.347 ( 7.884 13.401 8.323) 17.635 12.605 ( -4.230 13.435 10.654) 17.661 12.671 ( 6.829 -14.825 7.098) 17.799 12.896 ( -3.494 -12.056 7.665) 14.708 14.491 ( 4.250 18.163 -3.532) 18.985 14.690 ( -5.492 12.882 -1.906) 14.133 14.860 ( 2.452 -15.743 -5.890) 16.987 14.946 ( -1.767 -11.208 -3.255) 11.804 ======================= Grid point 157 (60/140) ======================= q-point: (-0.50 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -11.087 10.653 0.350) 15.379 2.447 ( 11.087 10.653 0.350) 15.379 2.667 ( -7.954 -9.062 -0.872) 12.089 2.667 ( 7.954 -9.062 -0.872) 12.089 3.187 ( -4.894 17.878 6.768) 19.733 3.187 ( 4.894 17.878 6.768) 19.733 3.595 ( -3.330 -19.165 4.459) 19.956 3.595 ( 3.330 -19.165 4.459) 19.956 4.545 ( -4.391 5.028 5.640) 8.739 4.545 ( 4.391 5.028 5.640) 8.739 4.656 ( -5.991 -4.717 7.525) 10.713 4.656 ( 5.991 -4.717 7.525) 10.713 5.313 ( -11.449 10.282 6.787) 16.818 5.313 ( 11.449 10.282 6.787) 16.818 5.527 ( -9.304 -9.063 6.302) 14.437 5.527 ( 9.304 -9.063 6.302) 14.437 6.037 ( -8.786 8.823 -3.662) 12.979 6.037 ( 8.786 8.823 -3.662) 12.979 6.242 ( -11.383 -9.596 -3.617) 15.321 6.242 ( 11.383 -9.596 -3.617) 15.321 7.149 ( -3.339 12.106 -0.685) 12.577 7.149 ( 3.339 12.106 -0.685) 12.577 7.420 ( -3.493 -13.666 -3.267) 14.478 7.420 ( 3.493 -13.666 -3.267) 14.478 8.698 ( -4.348 3.834 -9.006) 10.711 8.698 ( 4.348 3.834 -9.006) 10.711 8.777 ( -5.845 -3.460 -8.444) 10.837 8.777 ( 5.845 -3.460 -8.444) 10.837 9.566 ( -3.108 8.176 -4.974) 10.062 9.566 ( 3.108 8.176 -4.974) 10.062 9.736 ( -1.753 -7.313 -7.412) 10.559 9.736 ( 1.753 -7.313 -7.412) 10.559 10.321 ( -2.236 1.531 9.584) 9.959 10.321 ( 2.236 1.531 9.584) 9.959 10.373 ( -2.931 -2.658 8.357) 9.246 10.373 ( 2.931 -2.658 8.357) 9.246 11.180 ( -5.505 8.362 -10.618) 14.593 11.180 ( 5.505 8.362 -10.618) 14.593 11.348 ( -4.741 -6.989 -10.187) 13.233 11.348 ( 4.741 -6.989 -10.187) 13.233 12.494 ( -6.623 13.836 9.978) 18.299 12.494 ( 6.623 13.836 9.978) 18.299 12.802 ( -5.800 -13.812 8.047) 17.005 12.802 ( 5.800 -13.812 8.047) 17.005 14.584 ( -4.991 16.075 -3.002) 17.098 14.584 ( 4.991 16.075 -3.002) 17.098 14.906 ( -2.151 -13.923 -4.899) 14.916 14.906 ( 2.151 -13.923 -4.899) 14.916 ======================= Grid point 189 (61/140) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 0.000 0.000 25.310) 25.310 1.648 ( 0.000 0.000 25.623) 25.623 2.185 ( 0.000 0.000 26.020) 26.020 3.047 ( 0.000 0.000 3.547) 3.547 3.059 ( 0.000 0.000 14.222) 14.222 3.473 ( 0.000 0.000 -7.537) 7.537 3.658 ( 0.000 0.000 5.904) 5.904 4.089 ( 0.000 0.000 9.559) 9.559 4.194 ( 0.000 0.000 7.040) 7.040 4.469 ( 0.000 0.000 -3.214) 3.214 4.891 ( 0.000 0.000 -3.750) 3.750 4.980 ( 0.000 0.000 -9.121) 9.121 5.374 ( 0.000 0.000 -8.918) 8.918 5.455 ( 0.000 0.000 4.235) 4.235 5.823 ( 0.000 0.000 -8.451) 8.451 6.038 ( 0.000 0.000 -6.399) 6.399 6.133 ( 0.000 0.000 9.296) 9.296 6.460 ( 0.000 0.000 5.539) 5.539 6.641 ( 0.000 0.000 -1.626) 1.626 6.792 ( 0.000 0.000 -1.441) 1.441 6.811 ( 0.000 0.000 -4.371) 4.371 7.214 ( 0.000 0.000 11.144) 11.144 7.598 ( 0.000 0.000 6.122) 6.122 7.613 ( 0.000 0.000 5.231) 5.231 8.169 ( 0.000 0.000 -19.566) 19.566 8.292 ( 0.000 0.000 0.739) 0.739 8.588 ( 0.000 0.000 -4.538) 4.538 8.608 ( 0.000 0.000 -0.490) 0.490 8.657 ( 0.000 0.000 -8.226) 8.226 9.324 ( 0.000 0.000 -8.974) 8.974 9.832 ( 0.000 0.000 -6.099) 6.099 10.122 ( 0.000 0.000 -5.095) 5.095 10.178 ( 0.000 0.000 -8.091) 8.091 10.229 ( 0.000 0.000 -7.220) 7.220 10.489 ( 0.000 0.000 -1.465) 1.465 10.922 ( 0.000 0.000 7.860) 7.860 11.088 ( 0.000 0.000 -7.994) 7.994 11.140 ( 0.000 0.000 4.171) 4.171 11.391 ( 0.000 0.000 -17.543) 17.543 11.432 ( 0.000 0.000 2.882) 2.882 11.930 ( 0.000 0.000 0.017) 0.017 12.276 ( 0.000 0.000 7.061) 7.061 12.605 ( 0.000 0.000 -2.454) 2.454 12.771 ( 0.000 0.000 0.544) 0.544 13.777 ( 0.000 0.000 8.704) 8.704 14.860 ( 0.000 0.000 10.538) 10.538 15.065 ( 0.000 0.000 3.770) 3.770 15.314 ( 0.000 0.000 -10.533) 10.533 ======================= Grid point 190 (62/140) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -12.503 0.000 25.875) 28.738 1.681 ( 8.698 0.000 23.452) 25.013 2.561 ( 23.955 0.000 16.521) 29.100 2.917 ( -1.599 0.000 10.969) 11.085 3.167 ( -0.549 0.000 7.987) 8.006 3.380 ( -8.636 0.000 -4.602) 9.786 3.662 ( 2.351 0.000 6.593) 6.999 4.104 ( 1.175 0.000 7.123) 7.220 4.170 ( -1.510 0.000 7.170) 7.327 4.465 ( -0.875 0.000 -0.613) 1.068 4.882 ( -1.039 0.000 0.311) 1.084 4.969 ( 0.194 0.000 -8.088) 8.090 5.383 ( 0.751 0.000 -8.720) 8.752 5.561 ( 9.354 0.000 1.076) 9.415 5.791 ( -3.043 0.000 -8.358) 8.895 5.895 ( -11.129 0.000 1.791) 11.272 6.123 ( -2.671 0.000 4.838) 5.526 6.445 ( -16.395 0.000 4.934) 17.121 6.468 ( 0.749 0.000 5.121) 5.176 6.742 ( -4.514 0.000 -0.943) 4.612 6.845 ( -8.006 0.000 -3.547) 8.757 7.090 ( 7.715 0.000 6.206) 9.901 7.521 ( -10.169 0.000 3.985) 10.922 7.863 ( 14.821 0.000 2.274) 14.995 8.020 ( -3.770 0.000 -12.258) 12.825 8.458 ( -1.097 0.000 -16.461) 16.498 8.559 ( 10.147 0.000 3.133) 10.620 8.670 ( 1.007 0.000 -9.229) 9.284 8.807 ( 13.616 0.000 1.595) 13.709 9.291 ( -3.721 0.000 -7.620) 8.480 9.830 ( -0.102 0.000 -5.600) 5.601 10.080 ( -3.421 0.000 -5.910) 6.829 10.146 ( -2.835 0.000 -7.575) 8.088 10.248 ( 1.193 0.000 -5.638) 5.762 10.500 ( 1.066 0.000 -1.996) 2.263 10.899 ( -2.156 0.000 7.953) 8.240 10.962 ( -7.565 0.000 -6.194) 9.777 11.216 ( 2.872 0.000 1.271) 3.141 11.365 ( -6.345 0.000 4.018) 7.510 11.382 ( 0.496 0.000 -13.620) 13.629 12.015 ( 7.093 0.000 -2.151) 7.412 12.315 ( 3.539 0.000 5.988) 6.955 12.614 ( 0.743 0.000 -3.329) 3.411 12.760 ( -1.093 0.000 0.561) 1.229 13.859 ( 7.129 0.000 7.620) 10.434 14.799 ( -5.777 0.000 10.937) 12.369 15.084 ( 1.870 0.000 2.453) 3.084 15.312 ( -0.177 0.000 -10.437) 10.438 ======================= Grid point 191 (63/140) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 7.052 0.000 17.428) 18.801 1.916 ( 14.176 0.000 19.227) 23.888 2.765 ( 2.330 0.000 -2.261) 3.247 2.978 ( -14.532 0.000 6.134) 15.774 3.157 ( -13.027 0.000 0.517) 13.037 3.197 ( 17.183 0.000 11.677) 20.776 3.768 ( 8.225 0.000 12.437) 14.911 4.129 ( 1.404 0.000 4.290) 4.514 4.208 ( 7.243 0.000 8.196) 10.938 4.417 ( -3.882 0.000 3.386) 5.151 4.841 ( -3.191 0.000 7.040) 7.729 5.025 ( 5.488 0.000 -7.797) 9.535 5.382 ( -2.349 0.000 -7.751) 8.099 5.658 ( -10.968 0.000 7.246) 13.145 5.672 ( -4.843 0.000 -6.684) 8.255 5.819 ( 11.860 0.000 -3.954) 12.502 6.014 ( -9.725 0.000 11.513) 15.071 6.131 ( -9.972 0.000 4.263) 10.845 6.493 ( 1.826 0.000 3.873) 4.281 6.626 ( -11.651 0.000 1.713) 11.776 6.633 ( -6.004 0.000 0.256) 6.010 7.241 ( -16.010 0.000 -0.628) 16.022 7.397 ( 18.516 0.000 -3.688) 18.880 8.033 ( 3.320 0.000 -11.021) 11.511 8.088 ( 8.022 0.000 -1.569) 8.174 8.387 ( -4.095 0.000 -12.845) 13.481 8.676 ( -0.818 0.000 -9.076) 9.113 8.810 ( 13.083 0.000 -2.453) 13.311 9.103 ( 14.329 0.000 2.767) 14.593 9.163 ( -9.013 0.000 -5.191) 10.401 9.832 ( 0.377 0.000 -4.531) 4.547 10.009 ( -3.048 0.000 -5.462) 6.255 10.074 ( -4.288 0.000 -5.966) 7.347 10.258 ( -0.439 0.000 -3.391) 3.419 10.537 ( 2.734 0.000 -3.715) 4.613 10.830 ( -5.290 0.000 -8.302) 9.844 10.845 ( -2.768 0.000 8.080) 8.541 11.198 ( -9.679 0.000 6.083) 11.432 11.254 ( 1.807 0.000 0.843) 1.994 11.413 ( 1.534 0.000 -8.340) 8.480 12.178 ( 8.815 0.000 -4.267) 9.794 12.403 ( 4.961 0.000 4.022) 6.386 12.623 ( -0.141 0.000 -4.844) 4.846 12.727 ( -2.198 0.000 0.640) 2.289 14.015 ( 7.653 0.000 7.509) 10.722 14.648 ( -8.794 0.000 11.702) 14.638 15.135 ( 3.082 0.000 -1.007) 3.242 15.305 ( -0.555 0.000 -10.075) 10.091 ======================= Grid point 192 (64/140) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 21.111 0.000 6.772) 22.170 2.226 ( 16.299 0.000 14.507) 21.820 2.589 ( -22.103 0.000 2.410) 22.234 2.868 ( 7.566 0.000 -5.189) 9.174 2.872 ( -15.181 0.000 5.385) 16.108 3.279 ( -7.345 0.000 -1.663) 7.531 4.098 ( 22.464 0.000 18.817) 29.303 4.167 ( 2.540 0.000 3.620) 4.422 4.325 ( -4.884 0.000 4.623) 6.725 4.450 ( 15.371 0.000 8.723) 17.673 4.742 ( -7.230 0.000 9.969) 12.315 5.171 ( 8.530 0.000 -7.317) 11.239 5.190 ( -16.471 0.000 -0.059) 16.471 5.530 ( -8.344 0.000 -7.139) 10.981 5.553 ( 0.427 0.000 8.774) 8.785 5.785 ( -10.292 0.000 11.195) 15.207 6.071 ( 1.853 0.000 5.087) 5.414 6.087 ( 13.619 0.000 -3.800) 14.139 6.389 ( -11.659 0.000 3.218) 12.095 6.502 ( -6.357 0.000 1.072) 6.447 6.553 ( 3.576 0.000 1.572) 3.907 6.926 ( -14.740 0.000 -3.647) 15.185 7.771 ( 17.965 0.000 -6.653) 19.158 8.115 ( 4.503 0.000 -11.563) 12.409 8.188 ( 0.932 0.000 -5.562) 5.640 8.300 ( -4.503 0.000 -12.729) 13.502 8.653 ( 0.056 0.000 -6.284) 6.284 8.950 ( -11.482 0.000 -3.803) 12.096 9.069 ( 12.308 0.000 -2.803) 12.623 9.311 ( 4.711 0.000 -0.018) 4.711 9.851 ( 1.653 0.000 -3.528) 3.896 9.982 ( -4.561 0.000 -4.129) 6.152 9.994 ( 2.495 0.000 -2.257) 3.365 10.218 ( -3.884 0.000 -1.097) 4.036 10.604 ( 3.728 0.000 -5.915) 6.992 10.745 ( -3.525 0.000 -8.701) 9.388 10.809 ( -0.250 0.000 8.005) 8.009 11.002 ( -9.239 0.000 7.533) 11.921 11.304 ( 3.131 0.000 -0.131) 3.134 11.417 ( -1.220 0.000 -4.697) 4.853 12.356 ( 8.604 0.000 -5.832) 10.394 12.504 ( 4.927 0.000 2.418) 5.489 12.597 ( -2.750 0.000 -6.040) 6.636 12.672 ( -3.278 0.000 0.873) 3.392 14.157 ( 6.788 0.000 9.304) 11.517 14.466 ( -8.971 0.000 11.896) 14.899 15.199 ( 3.095 0.000 -4.749) 5.669 15.288 ( -1.252 0.000 -9.207) 9.292 ======================= Grid point 193 (65/140) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -24.665 0.000 1.942) 24.741 2.112 ( 24.665 0.000 1.942) 24.741 2.555 ( -16.314 0.000 9.938) 19.103 2.555 ( 16.314 0.000 9.938) 19.103 3.067 ( -11.548 0.000 -4.661) 12.453 3.067 ( 11.548 0.000 -4.661) 12.453 4.234 ( -4.047 0.000 4.176) 5.815 4.234 ( 4.047 0.000 4.176) 5.815 4.505 ( -15.830 0.000 14.246) 21.296 4.505 ( 15.830 0.000 14.246) 21.296 4.813 ( -19.155 0.000 5.893) 20.041 4.813 ( 19.155 0.000 5.893) 20.041 5.351 ( -9.217 0.000 -7.009) 11.580 5.351 ( 9.217 0.000 -7.009) 11.580 5.622 ( -5.980 0.000 10.124) 11.758 5.622 ( 5.980 0.000 10.124) 11.758 6.180 ( -8.535 0.000 4.403) 9.604 6.180 ( 8.535 0.000 4.403) 9.604 6.335 ( -10.470 0.000 -0.827) 10.503 6.335 ( 10.470 0.000 -0.827) 10.503 6.679 ( -9.271 0.000 -2.419) 9.582 6.679 ( 9.271 0.000 -2.419) 9.582 8.079 ( -11.552 0.000 -7.764) 13.919 8.079 ( 11.552 0.000 -7.764) 13.919 8.208 ( -4.696 0.000 -12.335) 13.198 8.208 ( 4.696 0.000 -12.335) 13.198 8.739 ( -8.469 0.000 -3.787) 9.277 8.739 ( 8.469 0.000 -3.787) 9.277 9.275 ( -7.283 0.000 -2.690) 7.764 9.275 ( 7.283 0.000 -2.690) 7.764 9.901 ( -3.354 0.000 -3.268) 4.683 9.901 ( 3.354 0.000 -3.268) 4.683 10.103 ( -6.954 0.000 0.164) 6.956 10.103 ( 6.954 0.000 0.164) 6.956 10.677 ( -3.441 0.000 -7.656) 8.394 10.677 ( 3.441 0.000 -7.656) 8.394 10.854 ( -4.984 0.000 7.927) 9.363 10.854 ( 4.984 0.000 7.927) 9.363 11.370 ( -3.152 0.000 -2.001) 3.734 11.370 ( 3.152 0.000 -2.001) 3.734 12.507 ( -6.172 0.000 -6.491) 8.957 12.507 ( 6.172 0.000 -6.491) 8.957 12.596 ( -4.244 0.000 1.407) 4.471 12.596 ( 4.244 0.000 1.407) 4.471 14.299 ( -7.625 0.000 11.077) 13.448 14.299 ( 7.625 0.000 11.077) 13.448 15.253 ( -2.235 0.000 -7.519) 7.844 15.253 ( 2.235 0.000 -7.519) 7.844 ======================= Grid point 198 (66/140) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.000 8.696 22.183) 23.827 1.723 ( 0.000 6.860 23.396) 24.381 2.398 ( 0.000 18.102 20.419) 27.288 2.998 ( 0.000 -4.391 4.184) 6.065 3.006 ( 0.000 -4.139 15.123) 15.679 3.479 ( 0.000 -0.567 -6.488) 6.513 3.642 ( 0.000 -0.205 6.281) 6.284 4.038 ( 0.000 -6.389 10.626) 12.399 4.107 ( 0.000 -5.912 5.259) 7.912 4.419 ( 0.000 -5.070 -1.710) 5.351 4.799 ( 0.000 -2.407 -3.637) 4.361 5.092 ( 0.000 4.642 -3.688) 5.929 5.366 ( 0.000 0.747 3.233) 3.318 5.483 ( 0.000 -1.857 -0.992) 2.105 5.790 ( 0.000 -1.406 -11.709) 11.793 6.054 ( 0.000 1.631 -7.144) 7.328 6.068 ( 0.000 -4.639 4.443) 6.423 6.319 ( 0.000 -7.225 8.110) 10.861 6.610 ( 0.000 -1.543 -2.524) 2.958 6.853 ( 0.000 4.366 0.379) 4.382 6.942 ( 0.000 5.043 -2.391) 5.581 7.265 ( 0.000 4.076 6.181) 7.404 7.565 ( 0.000 -2.727 5.275) 5.938 7.603 ( 0.000 -0.276 3.986) 3.995 8.042 ( 0.000 -10.508 -11.704) 15.729 8.322 ( 0.000 2.397 1.032) 2.610 8.384 ( 0.000 -6.361 -8.466) 10.589 8.577 ( 0.000 -2.936 -0.421) 2.966 8.917 ( 0.000 12.163 -8.100) 14.613 9.321 ( 0.000 -0.293 -7.408) 7.414 9.727 ( 0.000 -6.783 -8.309) 10.726 10.096 ( 0.000 -9.088 -7.958) 12.080 10.210 ( 0.000 5.352 -7.236) 9.000 10.261 ( 0.000 5.672 -6.016) 8.269 10.519 ( 0.000 2.540 1.773) 3.098 10.979 ( 0.000 6.000 4.292) 7.377 11.141 ( 0.000 3.427 -6.800) 7.615 11.180 ( 0.000 2.985 4.746) 5.606 11.210 ( 0.000 -10.775 -14.766) 18.280 11.460 ( 0.000 -1.745 4.840) 5.145 11.903 ( 0.000 -1.684 -0.041) 1.685 12.379 ( 0.000 8.868 8.088) 12.002 12.659 ( 0.000 7.053 -5.720) 9.081 12.860 ( 0.000 2.271 -0.321) 2.294 13.829 ( 0.000 5.862 6.401) 8.680 14.858 ( 0.000 0.007 8.787) 8.787 15.044 ( 0.000 -2.331 1.760) 2.921 15.246 ( 0.000 -5.965 -8.882) 10.699 ======================= Grid point 199 (67/140) ======================= q-point: ( 0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -9.870 8.210 22.583) 25.978 1.836 ( 8.033 12.722 20.895) 25.749 2.629 ( 11.211 3.376 7.572) 13.943 2.935 ( 7.352 4.352 15.953) 18.097 3.143 ( 2.784 -2.515 9.684) 10.385 3.382 ( -8.373 -0.356 -3.163) 8.958 3.598 ( -2.033 -3.270 5.628) 6.819 4.106 ( 1.075 -5.329 8.214) 9.850 4.111 ( 4.928 -1.975 7.526) 9.210 4.405 ( -1.058 -5.932 -1.739) 6.272 4.776 ( -2.061 -2.599 -1.413) 3.605 5.065 ( -1.761 4.004 -0.207) 4.379 5.403 ( 2.273 0.205 -2.630) 3.482 5.542 ( 5.463 -3.750 0.265) 6.631 5.768 ( -1.618 -0.375 -10.291) 10.424 5.911 ( -9.860 1.594 0.883) 10.027 6.088 ( -1.421 -3.047 0.375) 3.383 6.230 ( -7.045 -5.929 7.528) 11.893 6.632 ( -3.690 -0.524 -2.331) 4.397 6.776 ( -6.925 5.872 0.738) 9.110 6.877 ( -6.711 2.165 3.274) 7.774 7.145 ( 2.877 5.163 2.220) 6.314 7.514 ( -9.180 -0.698 3.197) 9.745 7.721 ( 4.741 -11.466 -1.734) 12.528 8.030 ( 5.607 0.025 -8.011) 9.778 8.415 ( 2.354 -2.459 -10.838) 11.360 8.539 ( 13.152 -1.180 2.003) 13.355 8.588 ( 2.934 -4.264 -4.522) 6.873 8.965 ( 5.191 9.638 -5.318) 12.170 9.288 ( -3.513 -0.129 -6.414) 7.314 9.722 ( -0.310 -6.958 -7.307) 10.094 10.034 ( -4.499 -6.482 -8.035) 11.261 10.240 ( -1.269 6.659 -5.471) 8.711 10.277 ( 4.191 4.509 -6.883) 9.234 10.505 ( -1.070 0.804 1.237) 1.823 10.947 ( -3.116 4.554 1.698) 5.773 11.023 ( -7.712 4.396 -1.896) 9.077 11.194 ( -0.974 -6.555 -3.946) 7.713 11.232 ( 0.566 -2.548 -4.598) 5.287 11.419 ( -2.131 -0.355 2.030) 2.964 11.997 ( 7.684 -1.999 -0.087) 7.940 12.385 ( 0.527 7.648 7.685) 10.855 12.682 ( 2.083 7.967 -5.644) 9.983 12.872 ( 0.958 4.075 -0.530) 4.220 13.888 ( 5.299 3.878 5.934) 8.851 14.796 ( -5.830 0.004 9.157) 10.855 15.060 ( 1.524 -2.621 0.722) 3.117 15.245 ( -0.149 -5.977 -8.922) 10.741 ======================= Grid point 200 (68/140) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 6.330 9.382 15.347) 19.069 2.044 ( 12.216 11.171 17.471) 24.067 2.705 ( 2.458 -5.406 -2.711) 6.528 3.022 ( -13.981 3.588 4.802) 15.212 3.115 ( -7.424 -2.049 2.936) 8.242 3.313 ( 8.137 8.322 8.803) 14.593 3.677 ( 12.183 -5.312 12.785) 18.442 4.104 ( 1.110 -3.575 7.826) 8.675 4.269 ( 9.522 3.688 7.501) 12.670 4.380 ( -1.755 -5.798 1.238) 6.183 4.735 ( -1.667 -3.787 2.200) 4.686 5.046 ( 0.093 1.410 1.773) 2.267 5.428 ( -1.015 0.130 -4.774) 4.882 5.575 ( -4.266 -5.934 -2.134) 7.613 5.698 ( -9.957 2.453 3.125) 10.720 5.822 ( 8.120 0.848 -5.260) 9.712 6.021 ( -5.033 -1.319 7.812) 9.386 6.076 ( -6.831 -1.648 4.129) 8.150 6.425 ( -11.535 -4.756 1.163) 12.531 6.662 ( -4.545 4.249 0.114) 6.223 6.787 ( -3.849 9.561 4.151) 11.112 7.183 ( -11.600 -4.311 -2.969) 12.726 7.417 ( 10.896 0.938 -2.399) 11.197 7.810 ( 4.723 -13.371 -4.599) 14.908 8.175 ( 6.934 2.423 -8.572) 11.288 8.410 ( -2.680 1.294 -8.688) 9.184 8.626 ( 2.389 -3.091 -7.132) 8.132 8.834 ( 12.721 -0.288 -2.492) 12.966 9.109 ( 5.155 2.420 -2.658) 6.284 9.190 ( -2.745 2.194 -2.919) 4.568 9.722 ( 0.505 -7.053 -5.406) 8.901 9.943 ( -4.328 -5.148 -8.012) 10.461 10.206 ( -1.725 7.924 -3.089) 8.678 10.344 ( 1.406 7.967 -3.778) 8.929 10.504 ( 1.702 -2.525 -2.348) 3.846 10.850 ( -6.768 0.947 -8.050) 10.560 10.889 ( -4.727 3.178 7.662) 9.547 11.104 ( -7.040 -4.217 3.681) 8.994 11.256 ( 2.061 -3.371 -5.672) 6.912 11.409 ( 0.336 0.305 -2.857) 2.893 12.160 ( 7.872 -2.817 0.326) 8.368 12.397 ( 0.569 4.699 6.544) 8.076 12.734 ( 2.990 10.404 -5.279) 12.044 12.889 ( 0.576 7.856 -1.140) 7.959 14.011 ( 6.432 0.789 6.242) 8.998 14.643 ( -8.990 -0.123 9.896) 13.370 15.101 ( 2.511 -3.406 -2.074) 4.713 15.239 ( -0.439 -5.939 -8.925) 10.729 ======================= Grid point 201 (69/140) ======================= q-point: ( 0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 19.413 6.987 6.222) 21.550 2.294 ( 11.198 6.027 12.553) 17.869 2.665 ( -19.167 6.568 1.833) 20.344 2.797 ( 3.580 -3.526 -2.856) 5.779 2.906 ( -7.509 0.684 3.729) 8.412 3.286 ( -9.229 0.671 0.256) 9.257 4.029 ( 14.948 -4.642 11.048) 19.159 4.201 ( 9.430 0.798 11.094) 14.582 4.328 ( -1.435 -0.749 3.197) 3.583 4.503 ( 13.560 2.605 8.302) 16.111 4.691 ( -3.842 -1.796 6.280) 7.578 5.061 ( -0.710 -3.016 1.814) 3.591 5.279 ( -10.524 1.761 0.543) 10.684 5.445 ( -8.967 -4.757 -3.011) 10.588 5.610 ( 2.242 3.070 4.997) 6.278 5.850 ( -7.516 4.802 5.936) 10.714 5.975 ( 1.351 -5.715 6.014) 8.406 6.084 ( 6.251 -2.314 -3.488) 7.522 6.247 ( -4.071 -7.984 1.804) 9.142 6.568 ( -5.826 4.778 0.285) 7.540 6.722 ( -1.800 10.315 2.329) 10.727 6.910 ( -12.434 -0.745 -3.733) 13.003 7.696 ( 13.420 -6.859 -6.388) 16.369 7.896 ( 3.133 -12.567 -6.513) 14.497 8.288 ( 3.526 3.042 -10.871) 11.827 8.351 ( -2.036 3.828 -9.262) 10.226 8.650 ( 1.084 -0.250 -6.005) 6.107 8.921 ( -8.069 -2.724 -4.339) 9.558 9.129 ( 8.569 5.063 -3.186) 10.450 9.300 ( 4.396 -0.227 -0.798) 4.474 9.753 ( 2.679 -6.426 -4.094) 8.077 9.867 ( -3.114 -4.447 -6.967) 8.833 10.190 ( 0.839 9.466 -0.066) 9.503 10.332 ( -2.410 9.115 0.025) 9.428 10.554 ( 2.381 -3.229 -3.803) 5.528 10.713 ( -6.363 -1.990 -3.468) 7.515 10.828 ( -0.960 -0.813 3.683) 3.892 10.962 ( -6.413 -1.472 2.661) 7.097 11.308 ( 2.967 -1.639 -4.335) 5.503 11.404 ( -1.053 -0.736 -4.381) 4.565 12.296 ( 5.463 -3.709 1.403) 6.750 12.401 ( -0.370 0.912 4.915) 5.013 12.797 ( 3.194 13.110 -4.642) 14.270 12.888 ( -0.780 11.456 -2.287) 11.708 14.140 ( 6.529 -0.729 7.850) 10.236 14.455 ( -9.288 -0.479 10.107) 13.735 15.153 ( 2.524 -4.373 -5.137) 7.203 15.225 ( -0.991 -5.709 -8.530) 10.312 ======================= Grid point 202 (70/140) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -22.095 3.721 2.093) 22.503 2.151 ( 22.095 3.721 2.093) 22.503 2.619 ( -11.760 5.542 7.708) 15.114 2.619 ( 11.760 5.542 7.708) 15.114 3.052 ( -12.362 -1.084 -2.306) 12.622 3.052 ( 12.362 -1.084 -2.306) 12.622 4.198 ( -5.441 -4.218 5.463) 8.789 4.198 ( 5.441 -4.218 5.463) 8.789 4.530 ( -11.954 1.697 9.072) 15.102 4.530 ( 11.954 1.697 9.072) 15.102 4.832 ( -17.619 2.653 8.068) 19.559 4.832 ( 17.619 2.653 8.068) 19.559 5.274 ( -7.000 -4.700 -1.229) 8.521 5.274 ( 7.000 -4.700 -1.229) 8.521 5.704 ( -6.385 5.342 5.635) 10.053 5.704 ( 6.385 5.342 5.635) 10.053 6.039 ( -5.162 -9.036 3.902) 11.114 6.039 ( 5.162 -9.036 3.902) 11.114 6.391 ( -11.379 0.924 -2.217) 11.630 6.391 ( 11.379 0.924 -2.217) 11.630 6.742 ( -4.169 6.174 -0.891) 7.503 6.742 ( 4.169 6.174 -0.891) 7.503 7.889 ( -4.932 -12.314 -7.566) 15.271 7.889 ( 4.932 -12.314 -7.566) 15.271 8.324 ( -1.733 5.969 -10.801) 12.462 8.324 ( 1.733 5.969 -10.801) 12.462 8.736 ( -7.939 -0.550 -4.291) 9.041 8.736 ( 7.939 -0.550 -4.291) 9.041 9.287 ( -5.276 1.411 -2.858) 6.164 9.287 ( 5.276 1.411 -2.858) 6.164 9.812 ( -2.752 -5.203 -4.992) 7.717 9.812 ( 2.752 -5.203 -4.992) 7.717 10.252 ( -4.743 10.028 1.551) 11.201 10.252 ( 4.743 10.028 1.551) 11.201 10.608 ( -3.820 -4.621 -1.816) 6.265 10.608 ( 3.820 -4.621 -1.816) 6.265 10.859 ( -3.687 -0.377 1.198) 3.895 10.859 ( 3.687 -0.377 1.198) 3.895 11.366 ( -2.616 -1.079 -4.319) 5.164 11.366 ( 2.616 -1.079 -4.319) 5.164 12.375 ( -2.467 -2.517 3.066) 4.671 12.375 ( 2.467 -2.517 3.066) 4.671 12.856 ( -2.425 13.633 -3.634) 14.316 12.856 ( 2.425 13.633 -3.634) 14.316 14.282 ( -7.857 -0.875 9.396) 12.279 14.282 ( 7.857 -0.875 9.396) 12.279 15.197 ( -1.804 -5.189 -7.347) 9.174 15.197 ( 1.804 -5.189 -7.347) 9.174 ======================= Grid point 207 (71/140) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 0.000 10.908 17.706) 20.796 1.930 ( 0.000 13.449 16.577) 21.347 2.667 ( 0.000 -1.928 6.284) 6.573 2.871 ( 0.000 -7.721 7.433) 10.717 3.097 ( 0.000 20.182 19.831) 28.295 3.412 ( 0.000 -5.048 -4.506) 6.766 3.668 ( 0.000 0.683 8.690) 8.716 3.846 ( 0.000 -7.708 7.468) 10.733 4.027 ( 0.000 -1.792 5.504) 5.788 4.272 ( 0.000 -7.904 0.898) 7.955 4.762 ( 0.000 -3.089 10.439) 10.887 5.192 ( 0.000 6.666 -6.340) 9.200 5.238 ( 0.000 -15.523 2.711) 15.758 5.469 ( 0.000 4.077 8.448) 9.381 5.778 ( 0.000 -0.686 -12.751) 12.770 6.010 ( 0.000 -1.107 -1.528) 1.887 6.110 ( 0.000 3.015 -9.837) 10.289 6.197 ( 0.000 -4.686 4.889) 6.772 6.620 ( 0.000 3.145 -3.507) 4.711 6.937 ( 0.000 3.088 3.197) 4.445 6.973 ( 0.000 -0.704 5.144) 5.192 7.245 ( 0.000 -7.406 -2.560) 7.836 7.503 ( 0.000 -2.656 3.358) 4.281 7.606 ( 0.000 -2.779 -1.832) 3.328 7.906 ( 0.000 2.904 -2.164) 3.622 8.333 ( 0.000 0.484 -6.572) 6.590 8.371 ( 0.000 1.654 0.677) 1.787 8.485 ( 0.000 -5.675 -0.045) 5.675 9.127 ( 0.000 7.735 -8.826) 11.736 9.313 ( 0.000 -0.451 -4.810) 4.831 9.619 ( 0.000 -2.606 -12.167) 12.443 9.896 ( 0.000 -8.933 -7.901) 11.926 10.302 ( 0.000 3.571 -9.337) 9.997 10.388 ( 0.000 4.902 -4.653) 6.759 10.589 ( 0.000 4.202 4.698) 6.303 10.978 ( 0.000 -9.704 -12.800) 16.063 11.153 ( 0.000 8.320 -4.365) 9.396 11.210 ( 0.000 2.229 -6.560) 6.928 11.240 ( 0.000 2.731 6.939) 7.457 11.391 ( 0.000 -3.629 8.621) 9.354 11.904 ( 0.000 3.067 1.924) 3.620 12.611 ( 0.000 12.091 8.787) 14.947 12.747 ( 0.000 -11.384 3.778) 11.994 12.858 ( 0.000 8.544 -8.017) 11.716 14.024 ( 0.000 11.544 2.324) 11.776 14.877 ( 0.000 2.075 4.257) 4.736 14.921 ( 0.000 -10.496 -6.445) 12.317 15.115 ( 0.000 -4.946 -1.216) 5.093 ======================= Grid point 208 (72/140) ======================= q-point: ( 0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -6.856 13.905 16.120) 22.365 2.134 ( 10.235 13.987 15.764) 23.428 2.586 ( -4.557 -6.059 3.325) 8.279 2.977 ( 5.890 -7.597 7.109) 11.956 3.238 ( 8.386 12.204 12.834) 19.595 3.386 ( 2.513 5.400 3.894) 7.116 3.588 ( -6.989 1.638 6.485) 9.674 3.906 ( 4.739 -11.158 6.617) 13.811 4.061 ( 2.754 -2.426 7.388) 8.249 4.271 ( 0.866 -5.649 0.714) 5.760 4.752 ( -0.809 -2.321 10.488) 10.772 5.136 ( -3.869 0.119 -0.280) 3.881 5.278 ( 2.443 -8.253 -0.628) 8.629 5.512 ( 3.242 3.163 4.603) 6.458 5.764 ( -0.409 -1.063 -10.491) 10.552 5.946 ( -6.108 0.731 0.314) 6.160 6.062 ( -4.781 0.428 -6.170) 7.817 6.156 ( -3.381 -2.477 3.425) 5.412 6.606 ( -5.005 0.881 -4.748) 6.955 6.850 ( -8.349 0.971 3.586) 9.138 6.929 ( -0.256 2.175 6.320) 6.689 7.246 ( -0.605 0.504 -3.815) 3.895 7.462 ( -2.063 -9.479 -0.806) 9.734 7.493 ( -6.740 -1.318 1.485) 7.026 8.045 ( 9.447 2.544 -4.536) 10.784 8.394 ( 4.339 0.113 -5.638) 7.115 8.487 ( 1.349 -4.900 -2.660) 5.736 8.526 ( 12.638 -0.656 -0.033) 12.655 9.146 ( 2.193 7.070 -7.790) 10.746 9.293 ( -2.047 0.551 -4.489) 4.964 9.608 ( -0.867 -3.040 -10.659) 11.118 9.869 ( -2.425 -7.919 -7.778) 11.362 10.352 ( 3.292 2.687 -7.537) 8.653 10.384 ( 0.783 4.640 -5.634) 7.340 10.557 ( -2.753 4.576 3.835) 6.575 10.976 ( -2.309 -6.593 -11.166) 13.172 11.085 ( -3.260 2.992 -5.756) 7.261 11.123 ( -7.071 3.234 3.215) 8.414 11.229 ( -3.363 1.132 3.804) 5.202 11.397 ( 0.906 -1.244 0.583) 1.645 11.984 ( 6.906 2.609 3.505) 8.172 12.610 ( -0.164 12.300 9.011) 15.248 12.792 ( 4.191 -9.723 4.010) 11.321 12.894 ( 3.236 8.159 -7.450) 11.513 14.046 ( 2.065 10.451 2.231) 10.885 14.818 ( -5.554 2.277 4.095) 7.267 14.933 ( 1.094 -10.338 -6.382) 12.199 15.109 ( -0.586 -5.481 -1.851) 5.814 ======================= Grid point 209 (73/140) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 5.007 14.678 10.700) 18.842 2.335 ( 9.128 15.015 14.197) 22.590 2.553 ( 2.223 -8.693 -1.603) 9.115 3.003 ( -3.502 -5.368 3.774) 7.438 3.165 ( -10.973 6.257 2.092) 12.804 3.457 ( -4.651 2.330 5.505) 7.574 3.673 ( 16.029 6.458 12.367) 21.250 3.998 ( 5.783 -8.035 8.255) 12.890 4.120 ( 3.734 -9.117 5.833) 11.449 4.357 ( 7.861 1.678 4.052) 9.002 4.739 ( -0.185 0.103 10.230) 10.232 5.062 ( -3.106 -1.675 3.142) 4.725 5.307 ( -0.516 -6.056 0.525) 6.100 5.543 ( -0.271 3.072 -2.836) 4.190 5.773 ( -8.286 4.214 5.280) 10.691 5.831 ( 5.092 -1.798 -9.523) 10.947 5.937 ( -6.557 -4.741 2.615) 8.504 6.080 ( -3.920 -1.188 3.120) 5.149 6.361 ( -15.641 0.890 -0.220) 15.668 6.750 ( -3.674 2.569 0.184) 4.487 6.926 ( -1.783 1.420 4.325) 4.889 7.137 ( -8.864 2.085 -5.059) 10.417 7.396 ( 2.365 -3.941 -2.858) 5.412 7.556 ( 5.999 -8.389 0.246) 10.316 8.212 ( 7.495 1.698 -7.846) 10.983 8.403 ( -1.562 -2.239 -5.164) 5.841 8.586 ( 5.500 -0.214 -6.264) 8.339 8.778 ( 10.231 -3.947 -2.507) 11.248 9.211 ( 2.292 5.880 -6.104) 8.780 9.251 ( 0.478 3.367 -2.991) 4.529 9.601 ( 0.547 -3.768 -8.157) 9.002 9.812 ( -2.883 -6.589 -7.498) 10.390 10.354 ( -0.657 5.181 -0.699) 5.269 10.449 ( 0.671 -2.390 -1.100) 2.715 10.535 ( 3.370 8.940 -5.748) 11.150 10.842 ( -8.924 -1.045 -4.158) 9.901 10.939 ( -10.191 1.220 6.905) 12.370 11.084 ( -1.583 0.525 -8.309) 8.475 11.155 ( -0.811 -3.438 -0.612) 3.585 11.404 ( -0.623 -1.543 -4.622) 4.912 12.143 ( 8.315 3.342 5.597) 10.566 12.597 ( -1.437 12.191 9.560) 15.559 12.894 ( 5.436 -5.647 4.123) 8.856 12.971 ( 3.988 7.144 -5.574) 9.900 14.102 ( 3.527 8.298 2.229) 9.288 14.670 ( -8.718 3.303 4.335) 10.281 14.963 ( 1.816 -10.464 -7.078) 12.763 15.092 ( -0.994 -6.810 -3.505) 7.724 ======================= Grid point 210 (74/140) ======================= q-point: ( 0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 15.554 11.843 4.371) 20.032 2.455 ( 1.528 8.400 8.532) 12.070 2.659 ( 4.220 -6.426 -4.439) 8.878 2.874 ( -8.141 2.381 1.689) 8.649 2.943 ( -5.094 9.800 5.399) 12.294 3.317 ( -10.341 2.749 5.089) 11.849 3.887 ( 7.400 -9.095 5.975) 13.160 4.083 ( -0.396 -14.509 4.247) 15.123 4.331 ( 16.284 5.110 10.675) 20.130 4.538 ( 8.313 2.858 5.923) 10.600 4.756 ( 2.711 3.323 10.199) 11.064 5.017 ( -1.927 -3.008 6.058) 7.032 5.239 ( -4.952 -2.195 3.244) 6.314 5.452 ( -11.365 5.539 -3.768) 13.193 5.667 ( 2.435 2.875 3.508) 5.148 5.830 ( -3.515 -7.196 4.967) 9.424 5.924 ( -1.426 -2.673 0.852) 3.147 6.054 ( -6.696 3.531 0.281) 7.575 6.107 ( 3.122 -5.267 0.210) 6.127 6.604 ( -11.569 -3.606 -1.603) 12.223 6.886 ( -0.197 6.034 -0.197) 6.040 6.999 ( -4.996 9.530 -0.638) 10.779 7.501 ( 6.581 -10.744 -5.020) 13.563 7.649 ( 1.995 -10.428 -2.944) 11.017 8.351 ( 5.752 3.040 -8.730) 10.888 8.404 ( 2.577 1.238 -8.274) 8.754 8.645 ( 0.909 -0.076 -5.928) 5.998 8.840 ( -4.341 -4.616 -5.314) 8.270 9.259 ( 5.118 6.854 -3.670) 9.308 9.328 ( 3.536 2.829 -3.440) 5.687 9.640 ( 3.214 -4.188 -6.973) 8.746 9.760 ( -2.341 -5.710 -7.295) 9.556 10.354 ( 1.167 5.387 3.419) 6.486 10.455 ( 1.970 -1.189 3.171) 3.918 10.577 ( -5.267 7.250 -1.097) 9.028 10.702 ( -5.200 2.335 -3.621) 6.753 10.759 ( -2.387 -4.225 2.981) 5.695 10.984 ( -6.226 3.203 -5.406) 8.846 11.213 ( 4.271 -6.488 -7.641) 10.895 11.369 ( -2.756 -3.496 -6.795) 8.123 12.305 ( 7.715 5.666 7.400) 12.099 12.545 ( -3.791 10.929 9.675) 15.081 12.993 ( 4.107 -1.270 3.199) 5.358 13.036 ( 2.138 5.479 -2.499) 6.390 14.189 ( 5.255 6.632 2.562) 8.841 14.487 ( -9.151 4.458 4.021) 10.945 15.002 ( 1.992 -10.312 -7.457) 12.881 15.069 ( -1.316 -8.357 -5.449) 10.063 ======================= Grid point 211 (75/140) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -17.358 7.537 1.803) 19.010 2.271 ( 17.358 7.537 1.803) 19.010 2.727 ( -6.351 1.809 0.570) 6.629 2.727 ( 6.351 1.809 0.570) 6.629 3.073 ( -12.545 5.582 5.098) 14.647 3.073 ( 12.545 5.582 5.098) 14.647 4.018 ( -5.401 -12.850 4.822) 14.750 4.018 ( 5.401 -12.850 4.822) 14.750 4.574 ( -5.832 3.208 6.159) 9.068 4.574 ( 5.832 3.208 6.159) 9.068 4.905 ( -10.008 1.251 11.245) 15.106 4.905 ( 10.008 1.251 11.245) 15.106 5.235 ( -6.786 2.970 0.981) 7.473 5.235 ( 6.786 2.970 0.981) 7.473 5.767 ( -4.741 -2.647 2.225) 5.868 5.767 ( 4.741 -2.647 2.225) 5.868 5.899 ( -2.578 -0.542 3.970) 4.765 5.899 ( 2.578 -0.542 3.970) 4.765 6.339 ( -13.646 -5.347 -2.916) 14.944 6.339 ( 13.646 -5.347 -2.916) 14.944 6.919 ( -3.044 9.779 -0.273) 10.245 6.919 ( 3.044 9.779 -0.273) 10.245 7.620 ( -4.433 -12.629 -4.952) 14.271 7.620 ( 4.433 -12.629 -4.952) 14.271 8.434 ( -2.162 4.667 -9.465) 10.772 8.434 ( 2.162 4.667 -9.465) 10.772 8.704 ( -6.489 -2.636 -5.232) 8.743 8.704 ( 6.489 -2.636 -5.232) 8.743 9.346 ( -2.048 4.255 -3.938) 6.149 9.346 ( 2.048 4.255 -3.938) 6.149 9.709 ( -3.103 -4.917 -7.128) 9.199 9.709 ( 3.103 -4.917 -7.128) 9.199 10.427 ( -6.411 4.647 5.064) 9.399 10.427 ( 6.411 4.647 5.064) 9.399 10.546 ( -6.863 -0.485 3.699) 7.811 10.546 ( 6.863 -0.485 3.699) 7.811 10.855 ( -6.568 1.514 -7.141) 9.820 10.855 ( 6.568 1.514 -7.141) 9.820 11.299 ( -4.055 -5.353 -7.834) 10.318 11.299 ( 4.055 -5.353 -7.834) 10.318 12.445 ( -6.118 8.536 8.891) 13.761 12.445 ( 6.118 8.536 8.891) 13.761 13.047 ( -1.109 2.590 0.818) 2.933 13.047 ( 1.109 2.590 0.818) 2.933 14.317 ( -7.548 5.530 3.246) 9.904 14.317 ( 7.548 5.530 3.246) 9.904 15.039 ( -1.700 -9.614 -6.916) 11.965 15.039 ( 1.700 -9.614 -6.916) 11.965 ======================= Grid point 216 (76/140) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 0.000 10.103 10.274) 14.409 2.204 ( 0.000 9.245 9.123) 12.988 2.536 ( 0.000 -4.277 11.761) 12.514 2.662 ( 0.000 -11.477 12.203) 16.752 3.352 ( 0.000 1.013 -0.277) 1.051 3.438 ( 0.000 -2.506 6.568) 7.029 3.693 ( 0.000 14.516 8.900) 17.027 3.904 ( 0.000 9.869 7.562) 12.433 3.947 ( 0.000 -7.518 6.367) 9.851 4.118 ( 0.000 -7.428 5.222) 9.079 4.703 ( 0.000 0.143 14.244) 14.245 4.871 ( 0.000 -15.751 8.462) 17.880 5.370 ( 0.000 8.842 -6.786) 11.146 5.509 ( 0.000 -2.789 0.200) 2.797 5.805 ( 0.000 5.024 -2.673) 5.691 5.945 ( 0.000 -6.040 2.608) 6.579 6.142 ( 0.000 -0.229 -6.733) 6.737 6.146 ( 0.000 0.281 -10.428) 10.432 6.750 ( 0.000 8.678 -3.237) 9.262 6.928 ( 0.000 -5.087 6.426) 8.196 6.981 ( 0.000 1.356 4.436) 4.639 7.046 ( 0.000 -7.565 -4.192) 8.649 7.471 ( 0.000 0.006 1.076) 1.076 7.511 ( 0.000 -3.763 -1.356) 4.000 8.094 ( 0.000 11.068 -0.544) 11.081 8.310 ( 0.000 -8.619 -0.803) 8.657 8.368 ( 0.000 2.135 -3.037) 3.713 8.402 ( 0.000 -1.033 -0.093) 1.037 9.247 ( 0.000 3.742 -8.022) 8.852 9.297 ( 0.000 -1.287 -5.716) 5.860 9.626 ( 0.000 2.983 -12.018) 12.383 9.730 ( 0.000 -6.583 -9.504) 11.561 10.373 ( 0.000 3.272 -8.146) 8.778 10.429 ( 0.000 -1.125 -5.250) 5.369 10.694 ( 0.000 5.460 2.321) 5.933 10.814 ( 0.000 -6.110 -5.638) 8.314 11.237 ( 0.000 0.517 -6.097) 6.119 11.238 ( 0.000 0.752 -6.422) 6.466 11.311 ( 0.000 2.449 3.566) 4.326 11.338 ( 0.000 -1.242 5.181) 5.328 12.080 ( 0.000 13.549 5.419) 14.592 12.424 ( 0.000 -17.293 5.449) 18.131 12.849 ( 0.000 9.328 6.166) 11.182 12.960 ( 0.000 -0.278 -0.932) 0.972 14.299 ( 0.000 14.575 -2.368) 14.766 14.628 ( 0.000 -15.754 -7.230) 17.334 14.944 ( 0.000 3.947 0.839) 4.035 15.029 ( 0.000 -3.869 0.605) 3.916 ======================= Grid point 217 (77/140) ======================= q-point: ( 0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -4.456 14.540 9.635) 18.003 2.290 ( 2.215 -5.694 4.793) 7.765 2.533 ( 3.198 7.541 13.640) 15.911 2.764 ( 6.660 -11.401 9.819) 16.455 3.327 ( -1.033 3.862 0.905) 4.099 3.472 ( 0.884 -8.050 5.142) 9.593 3.747 ( 3.531 11.204 7.861) 14.135 3.855 ( -2.877 5.478 4.707) 7.774 3.990 ( 3.572 0.380 9.697) 10.341 4.171 ( 6.315 -6.041 6.123) 10.670 4.699 ( -0.158 0.211 13.647) 13.650 4.865 ( -0.346 -15.084 8.501) 17.318 5.390 ( 1.624 9.893 -5.835) 11.600 5.551 ( 3.776 -3.131 0.264) 4.913 5.766 ( -3.205 3.780 -3.518) 6.078 5.893 ( -4.799 -5.899 4.209) 8.691 6.078 ( -5.909 1.529 -7.390) 9.585 6.115 ( -3.595 -1.694 -6.472) 7.594 6.703 ( -6.593 7.406 -2.426) 10.207 6.834 ( -6.860 -3.167 4.924) 9.019 6.965 ( -0.508 2.152 2.503) 3.340 7.082 ( 1.898 -9.739 -5.372) 11.283 7.427 ( -3.098 1.719 1.842) 3.993 7.462 ( -2.754 -1.544 1.440) 3.470 8.155 ( 4.583 7.290 -2.841) 9.068 8.319 ( 0.187 -7.343 -2.233) 7.677 8.458 ( 7.844 2.042 -3.661) 8.894 8.503 ( 9.377 -1.737 -1.424) 9.643 9.257 ( 1.255 3.412 -7.396) 8.241 9.297 ( 0.179 -0.569 -5.237) 5.271 9.610 ( -1.430 3.038 -11.156) 11.650 9.715 ( -1.467 -6.423 -9.034) 11.182 10.390 ( 1.323 1.617 -5.679) 6.051 10.422 ( -0.616 -0.728 -3.543) 3.669 10.688 ( -0.200 6.959 -0.696) 6.997 10.830 ( 1.251 -6.547 -6.851) 9.558 11.134 ( -7.408 1.378 -2.458) 7.926 11.150 ( -8.118 -0.187 1.976) 8.358 11.288 ( -2.457 3.608 -0.319) 4.377 11.359 ( 0.137 -2.683 -3.397) 4.331 12.155 ( 6.832 13.230 6.290) 16.164 12.489 ( 6.055 -16.718 5.890) 18.731 12.858 ( 0.618 9.932 6.867) 12.091 12.984 ( 2.106 -1.038 0.064) 2.349 14.311 ( 1.197 14.502 -2.684) 14.797 14.639 ( 1.067 -15.632 -7.458) 17.353 14.902 ( -4.029 4.789 0.616) 6.288 15.006 ( -2.148 -4.795 -0.004) 5.254 ======================= Grid point 218 (78/140) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 3.837 15.323 5.827) 16.837 2.328 ( 3.375 -12.436 1.426) 12.965 2.639 ( 5.256 12.665 10.539) 17.294 2.859 ( 1.797 -8.251 5.736) 10.208 3.311 ( -1.673 7.443 1.801) 7.838 3.449 ( -1.955 -3.382 6.122) 7.263 3.740 ( -3.133 -1.712 6.070) 7.042 3.784 ( -4.463 -6.561 2.618) 8.355 4.182 ( 14.745 11.168 10.865) 21.452 4.363 ( 11.810 -3.054 7.538) 14.340 4.709 ( 1.282 0.649 12.506) 12.588 4.867 ( 0.647 -12.502 8.975) 15.403 5.402 ( -1.416 11.417 -2.023) 11.681 5.622 ( 1.948 -2.297 2.259) 3.765 5.720 ( -2.145 -2.425 -8.398) 9.000 5.801 ( -0.911 -3.684 4.061) 5.558 5.914 ( -9.936 3.799 -2.605) 10.951 6.008 ( -6.487 -4.451 -0.564) 7.887 6.480 ( -13.315 8.818 0.044) 15.971 6.678 ( -10.043 -8.511 0.518) 13.174 6.982 ( 2.187 5.478 -1.063) 5.994 7.121 ( 2.859 -6.336 -3.939) 7.990 7.362 ( -3.505 3.718 1.137) 5.235 7.453 ( 0.921 -3.817 2.414) 4.609 8.259 ( 6.141 2.866 -5.707) 8.860 8.332 ( 1.874 -3.855 -4.699) 6.360 8.616 ( 6.160 2.816 -5.522) 8.739 8.692 ( 7.323 -4.035 -4.263) 9.385 9.308 ( 3.848 2.584 -6.236) 7.770 9.316 ( 2.171 1.995 -4.073) 5.028 9.581 ( -1.064 2.165 -9.555) 9.855 9.676 ( -2.193 -6.016 -7.864) 10.141 10.405 ( 0.025 0.333 0.579) 0.668 10.412 ( -0.178 -0.930 0.459) 1.052 10.707 ( 2.232 7.177 -6.670) 10.049 10.817 ( -4.757 -2.570 -5.135) 7.457 10.958 ( -9.879 1.361 5.086) 11.194 11.015 ( -2.222 -3.969 -2.279) 5.088 11.210 ( -5.037 5.475 -5.009) 8.969 11.330 ( -2.861 -5.162 -7.289) 9.378 12.325 ( 9.567 13.166 7.835) 18.062 12.642 ( 8.634 -15.177 6.900) 18.775 12.859 ( -0.924 11.231 8.428) 14.072 13.025 ( 1.485 -3.273 2.589) 4.429 14.349 ( 2.622 14.358 -3.398) 14.986 14.670 ( 1.873 -14.465 -7.768) 16.525 14.795 ( -6.139 6.271 -0.260) 8.780 14.948 ( -3.450 -7.176 -1.715) 8.145 ======================= Grid point 219 (79/140) ======================= q-point: ( 0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 11.674 13.091 1.780) 17.630 2.449 ( 8.499 -10.571 -0.646) 13.580 2.663 ( -4.610 8.238 3.947) 10.232 2.817 ( -5.834 -5.485 1.569) 8.160 3.261 ( -0.768 16.544 4.930) 17.280 3.422 ( -2.755 6.181 6.832) 9.616 3.658 ( -1.830 -11.328 5.079) 12.549 3.734 ( -1.763 -15.473 3.879) 16.049 4.485 ( 13.661 8.041 8.472) 17.974 4.606 ( 11.225 0.117 8.316) 13.971 4.742 ( 1.686 0.400 11.149) 11.283 4.883 ( 0.194 -8.860 9.923) 13.304 5.346 ( -2.140 11.056 1.988) 11.435 5.603 ( -3.197 -8.310 3.981) 9.753 5.616 ( -9.147 4.653 -3.649) 10.892 5.733 ( -5.979 -1.059 -3.873) 7.202 5.868 ( 2.847 0.807 3.391) 4.500 5.971 ( 7.308 -6.527 1.396) 9.897 6.221 ( -12.086 9.721 0.330) 15.514 6.441 ( -12.859 -10.204 -1.452) 16.480 7.047 ( 4.084 8.589 -1.706) 9.663 7.184 ( 1.499 2.983 -0.842) 3.443 7.304 ( -0.763 -3.182 -1.860) 3.763 7.445 ( -2.342 -9.227 -0.325) 9.526 8.403 ( 7.395 1.575 -6.647) 10.067 8.417 ( 7.143 0.090 -7.145) 10.104 8.663 ( -1.591 2.242 -6.732) 7.272 8.739 ( -2.780 -4.562 -6.556) 8.457 9.394 ( 5.004 4.572 -3.774) 7.757 9.401 ( 4.857 3.382 -6.092) 8.494 9.575 ( 0.352 -1.291 -8.383) 8.489 9.634 ( -2.042 -5.743 -6.890) 9.199 10.413 ( 1.220 0.817 4.732) 4.954 10.424 ( 2.243 -0.777 4.562) 5.143 10.652 ( -9.432 1.213 3.075) 9.994 10.685 ( -7.655 -2.373 3.676) 8.817 10.857 ( 3.071 9.714 -7.574) 12.695 11.052 ( 4.188 -8.316 -8.227) 12.425 11.096 ( -6.163 6.812 -8.201) 12.314 11.252 ( -4.691 -7.063 -8.997) 12.363 12.519 ( 9.400 13.401 9.221) 18.787 12.800 ( -0.005 4.477 9.014) 10.064 12.822 ( 3.893 -4.908 8.368) 10.453 13.026 ( -1.699 -6.601 5.458) 8.732 14.418 ( 4.325 13.953 -3.837) 15.103 14.646 ( -6.087 8.794 -2.723) 11.036 14.736 ( 2.315 -13.174 -6.532) 14.886 14.874 ( -3.817 -10.130 -4.009) 11.544 ======================= Grid point 220 (80/140) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -13.422 9.579 0.616) 16.501 2.457 ( 13.422 9.579 0.616) 16.501 2.649 ( -9.964 -7.677 -1.059) 12.623 2.649 ( 9.964 -7.677 -1.059) 12.623 3.321 ( -5.618 16.011 6.685) 18.238 3.321 ( 5.618 16.011 6.685) 18.238 3.686 ( -2.863 -17.498 4.941) 18.406 3.686 ( 2.863 -17.498 4.941) 18.406 4.679 ( -4.886 6.544 7.973) 11.413 4.679 ( 4.886 6.544 7.973) 11.413 4.829 ( -6.027 -6.784 10.184) 13.641 4.829 ( 6.027 -6.784 10.184) 13.641 5.402 ( -8.323 10.520 1.592) 13.509 5.402 ( 8.323 10.520 1.592) 13.509 5.616 ( -4.121 -9.185 1.693) 10.209 5.616 ( 4.121 -9.185 1.693) 10.209 6.002 ( -9.552 7.743 1.407) 12.377 6.002 ( 9.552 7.743 1.407) 12.377 6.185 ( -12.312 -8.716 -1.523) 15.161 6.185 ( 12.312 -8.716 -1.523) 15.161 7.136 ( -4.443 10.541 -0.895) 11.474 7.136 ( 4.443 10.541 -0.895) 11.474 7.366 ( -4.861 -11.337 -2.395) 12.565 7.366 ( 4.861 -11.337 -2.395) 12.565 8.531 ( -2.992 4.671 -7.955) 9.698 8.531 ( 2.992 4.671 -7.955) 9.698 8.628 ( -4.781 -4.290 -6.466) 9.114 8.628 ( 4.781 -4.290 -6.466) 9.114 9.460 ( -0.311 6.210 -5.669) 8.414 9.460 ( 0.311 6.210 -5.669) 8.414 9.593 ( -1.740 -6.036 -7.122) 9.497 9.593 ( 1.740 -6.036 -7.122) 9.497 10.477 ( -3.802 2.015 5.831) 7.247 10.477 ( 3.802 2.015 5.831) 7.247 10.528 ( -4.649 -2.259 6.613) 8.394 10.528 ( 4.649 -2.259 6.613) 8.394 10.968 ( -6.443 8.259 -10.354) 14.728 10.968 ( 6.443 8.259 -10.354) 14.728 11.151 ( -5.247 -8.295 -9.376) 13.574 11.151 ( 5.247 -8.295 -9.376) 13.574 12.690 ( -7.392 13.339 9.988) 18.230 12.690 ( 7.392 13.339 9.988) 18.230 12.954 ( -5.440 -10.112 7.322) 13.618 12.954 ( 5.440 -10.112 7.322) 13.618 14.521 ( -5.873 12.637 -3.367) 14.336 14.521 ( 5.873 12.637 -3.367) 14.336 14.799 ( -3.587 -12.771 -6.044) 14.577 14.799 ( 3.587 -12.771 -6.044) 14.577 ======================= Grid point 252 (81/140) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.000 0.000 22.970) 22.970 2.117 ( 0.000 0.000 23.117) 23.117 2.545 ( 0.000 0.000 12.356) 12.356 3.086 ( 0.000 0.000 0.548) 0.548 3.322 ( 0.000 0.000 -8.785) 8.785 3.426 ( 0.000 0.000 22.216) 22.216 3.675 ( 0.000 0.000 -4.557) 4.557 4.285 ( 0.000 0.000 9.855) 9.855 4.306 ( 0.000 0.000 3.953) 3.953 4.384 ( 0.000 0.000 -4.314) 4.314 4.823 ( 0.000 0.000 -6.161) 6.161 4.866 ( 0.000 0.000 1.621) 1.621 5.233 ( 0.000 0.000 -5.731) 5.731 5.589 ( 0.000 0.000 -3.236) 3.236 5.652 ( 0.000 0.000 3.536) 3.536 5.921 ( 0.000 0.000 -5.346) 5.346 6.177 ( 0.000 0.000 -3.772) 3.772 6.552 ( 0.000 0.000 3.763) 3.763 6.621 ( 0.000 0.000 -0.486) 0.486 6.725 ( 0.000 0.000 -3.823) 3.823 6.763 ( 0.000 0.000 -1.465) 1.465 7.531 ( 0.000 0.000 19.505) 19.505 7.631 ( 0.000 0.000 -27.826) 27.826 7.728 ( 0.000 0.000 7.216) 7.216 7.753 ( 0.000 0.000 5.037) 5.037 8.301 ( 0.000 0.000 -0.891) 0.891 8.509 ( 0.000 0.000 -6.652) 6.652 8.605 ( 0.000 0.000 0.814) 0.814 8.621 ( 0.000 0.000 4.025) 4.025 9.113 ( 0.000 0.000 -12.744) 12.744 9.736 ( 0.000 0.000 -3.497) 3.497 10.016 ( 0.000 0.000 -8.410) 8.410 10.026 ( 0.000 0.000 -4.682) 4.682 10.092 ( 0.000 0.000 -6.776) 6.776 10.479 ( 0.000 0.000 0.900) 0.900 10.930 ( 0.000 0.000 -8.340) 8.340 11.072 ( 0.000 0.000 7.691) 7.691 11.103 ( 0.000 0.000 -11.590) 11.590 11.168 ( 0.000 0.000 -1.980) 1.980 11.454 ( 0.000 0.000 -0.462) 0.462 11.980 ( 0.000 0.000 5.429) 5.429 12.417 ( 0.000 0.000 7.334) 7.334 12.539 ( 0.000 0.000 -4.448) 4.448 12.769 ( 0.000 0.000 -0.827) 0.827 13.966 ( 0.000 0.000 10.872) 10.872 15.002 ( 0.000 0.000 -11.643) 11.643 15.039 ( 0.000 0.000 7.896) 7.896 15.209 ( 0.000 0.000 1.015) 1.015 ======================= Grid point 253 (82/140) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -14.610 0.000 22.604) 26.915 2.118 ( 5.969 0.000 21.717) 22.522 2.721 ( 4.224 0.000 3.155) 5.272 3.110 ( 7.810 0.000 5.727) 9.685 3.277 ( -4.407 0.000 -6.631) 7.962 3.394 ( -7.713 0.000 12.675) 14.837 3.756 ( 10.430 0.000 5.334) 11.715 4.245 ( -2.263 0.000 6.181) 6.583 4.290 ( -0.664 0.000 4.684) 4.731 4.436 ( 3.125 0.000 -0.792) 3.224 4.841 ( 2.009 0.000 -4.821) 5.223 4.900 ( 2.895 0.000 2.149) 3.606 5.242 ( 0.799 0.000 -5.875) 5.929 5.575 ( -2.287 0.000 -10.739) 10.980 5.684 ( 4.127 0.000 8.846) 9.762 5.869 ( -4.831 0.000 -2.206) 5.311 6.153 ( -1.856 0.000 -2.823) 3.378 6.526 ( -9.111 0.000 3.383) 9.719 6.552 ( 0.010 0.000 3.464) 3.464 6.721 ( -3.735 0.000 -1.125) 3.901 6.751 ( -0.649 0.000 -4.725) 4.770 7.330 ( -6.128 0.000 15.787) 16.934 7.484 ( -13.493 0.000 -17.354) 21.983 7.769 ( 1.938 0.000 -2.377) 3.067 7.939 ( 9.582 0.000 4.663) 10.656 8.249 ( -3.769 0.000 -6.148) 7.211 8.520 ( 1.679 0.000 -5.496) 5.747 8.637 ( 6.424 0.000 4.146) 7.646 8.835 ( 14.520 0.000 1.023) 14.556 9.115 ( -0.674 0.000 -10.523) 10.545 9.741 ( 0.525 0.000 -3.270) 3.312 9.978 ( -3.047 0.000 -4.333) 5.297 9.996 ( -1.813 0.000 -7.787) 7.995 10.136 ( 2.803 0.000 -5.855) 6.491 10.474 ( -0.389 0.000 -0.227) 0.450 10.822 ( -8.128 0.000 -7.667) 11.174 11.052 ( -1.926 0.000 7.834) 8.067 11.130 ( 2.519 0.000 -10.535) 10.832 11.218 ( 3.227 0.000 -2.873) 4.321 11.409 ( -4.394 0.000 0.589) 4.434 12.036 ( 5.089 0.000 4.255) 6.634 12.435 ( 1.750 0.000 6.376) 6.612 12.542 ( 0.218 0.000 -4.376) 4.381 12.759 ( -1.051 0.000 -0.799) 1.321 14.026 ( 5.618 0.000 9.820) 11.314 14.975 ( -4.491 0.000 3.446) 5.661 15.020 ( 0.149 0.000 -6.698) 6.700 15.202 ( -0.734 0.000 0.317) 0.799 ======================= Grid point 254 (83/140) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -1.751 0.000 18.563) 18.645 2.282 ( 10.075 0.000 18.455) 21.026 2.705 ( -1.397 0.000 -4.569) 4.778 3.063 ( -17.252 0.000 3.915) 17.691 3.151 ( -7.922 0.000 -1.678) 8.098 3.339 ( 1.686 0.000 2.796) 3.265 4.041 ( 17.518 0.000 14.924) 23.013 4.222 ( 0.208 0.000 5.013) 5.017 4.354 ( 8.592 0.000 6.573) 10.818 4.464 ( -0.717 0.000 1.765) 1.905 4.914 ( 5.429 0.000 -3.757) 6.602 4.951 ( 1.368 0.000 4.848) 5.038 5.250 ( -0.743 0.000 -5.649) 5.698 5.495 ( -5.387 0.000 -11.135) 12.370 5.757 ( -5.317 0.000 4.054) 6.686 5.822 ( 9.313 0.000 4.819) 10.486 6.125 ( -0.621 0.000 -0.819) 1.028 6.277 ( -14.180 0.000 10.006) 17.354 6.555 ( 0.390 0.000 2.573) 2.602 6.632 ( -4.871 0.000 -0.330) 4.882 6.643 ( -8.723 0.000 -0.212) 8.725 7.162 ( -17.283 0.000 -9.925) 19.930 7.406 ( 11.182 0.000 4.525) 12.062 7.821 ( 3.052 0.000 -8.126) 8.681 8.048 ( 2.292 0.000 -3.635) 4.297 8.169 ( -4.317 0.000 -9.045) 10.023 8.569 ( 2.320 0.000 -1.200) 2.612 8.820 ( 10.962 0.000 2.515) 11.247 9.051 ( -6.001 0.000 -6.347) 8.735 9.119 ( 12.290 0.000 -1.119) 12.341 9.758 ( 1.209 0.000 -2.742) 2.996 9.936 ( -0.495 0.000 -1.879) 1.943 9.953 ( -2.393 0.000 -6.294) 6.733 10.182 ( 1.470 0.000 -4.477) 4.712 10.474 ( 0.592 0.000 -2.451) 2.521 10.674 ( -5.906 0.000 -7.494) 9.541 11.004 ( -2.586 0.000 8.105) 8.507 11.188 ( 2.922 0.000 -8.089) 8.600 11.271 ( 1.951 0.000 -4.995) 5.362 11.287 ( -7.430 0.000 2.971) 8.002 12.162 ( 7.051 0.000 2.281) 7.410 12.483 ( 2.931 0.000 4.265) 5.175 12.541 ( -0.567 0.000 -4.066) 4.106 12.728 ( -2.029 0.000 -0.655) 2.132 14.166 ( 7.738 0.000 8.396) 11.418 14.842 ( -8.106 0.000 8.025) 11.407 15.039 ( 1.388 0.000 -9.942) 10.039 15.179 ( -1.455 0.000 -1.794) 2.310 ======================= Grid point 255 (84/140) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 13.133 0.000 10.569) 16.858 2.505 ( 11.822 0.000 14.082) 18.387 2.606 ( -19.021 0.000 -2.625) 19.201 2.791 ( 2.470 0.000 -0.653) 2.555 2.967 ( -10.343 0.000 3.872) 11.044 3.219 ( -11.621 0.000 -4.435) 12.438 4.253 ( 2.809 0.000 5.208) 5.917 4.414 ( -3.883 0.000 4.319) 5.808 4.434 ( 19.853 0.000 15.370) 25.108 4.604 ( 14.777 0.000 7.083) 16.387 4.927 ( -4.237 0.000 8.780) 9.748 5.050 ( 7.736 0.000 -5.132) 9.284 5.166 ( -8.605 0.000 -1.688) 8.769 5.367 ( -7.257 0.000 -9.497) 11.952 5.707 ( 1.229 0.000 7.740) 7.837 6.002 ( -11.943 0.000 9.717) 15.397 6.046 ( 12.788 0.000 0.229) 12.790 6.153 ( 3.098 0.000 3.195) 4.450 6.448 ( -10.064 0.000 2.287) 10.321 6.516 ( -6.848 0.000 0.035) 6.848 6.578 ( 1.528 0.000 1.121) 1.895 6.834 ( -14.172 0.000 -6.067) 15.417 7.677 ( 14.247 0.000 -2.903) 14.539 7.891 ( 3.928 0.000 -10.727) 11.423 8.052 ( -2.313 0.000 -8.268) 8.585 8.076 ( -4.882 0.000 -10.428) 11.515 8.608 ( 2.482 0.000 1.331) 2.817 8.887 ( -9.562 0.000 -2.834) 9.973 9.044 ( 10.660 0.000 0.197) 10.662 9.273 ( 2.269 0.000 -3.375) 4.066 9.791 ( 2.074 0.000 -2.384) 3.160 9.899 ( -2.918 0.000 -4.276) 5.177 9.983 ( 5.175 0.000 0.819) 5.239 10.183 ( -1.671 0.000 -2.427) 2.946 10.499 ( 1.841 0.000 -4.569) 4.926 10.588 ( -2.977 0.000 -7.137) 7.733 10.967 ( -0.463 0.000 8.055) 8.068 11.130 ( -7.711 0.000 5.422) 9.426 11.242 ( 2.374 0.000 -6.492) 6.913 11.294 ( 0.233 0.000 -6.764) 6.768 12.306 ( 6.969 0.000 0.183) 6.971 12.510 ( -2.662 0.000 -3.291) 4.233 12.548 ( 3.419 0.000 2.179) 4.054 12.679 ( -2.830 0.000 -0.233) 2.840 14.324 ( 8.022 0.000 8.252) 11.509 14.667 ( -9.025 0.000 8.828) 12.625 15.072 ( 1.817 0.000 -9.111) 9.290 15.146 ( -1.785 0.000 -4.653) 4.984 ======================= Grid point 256 (85/140) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -21.296 0.000 3.905) 21.652 2.171 ( 21.296 0.000 3.905) 21.652 2.744 ( -11.718 0.000 9.165) 14.876 2.744 ( 11.718 0.000 9.165) 14.876 2.965 ( -12.097 0.000 -5.626) 13.342 2.965 ( 12.097 0.000 -5.626) 13.342 4.327 ( -4.325 0.000 5.370) 6.895 4.327 ( 4.325 0.000 5.370) 6.895 4.763 ( -11.923 0.000 11.639) 16.662 4.763 ( 11.923 0.000 11.639) 16.662 4.916 ( -15.033 0.000 4.961) 15.830 4.916 ( 15.033 0.000 4.961) 15.830 5.211 ( -8.115 0.000 -7.354) 10.952 5.211 ( 8.115 0.000 -7.354) 10.952 5.802 ( -7.730 0.000 8.875) 11.770 5.802 ( 7.730 0.000 8.875) 11.770 6.264 ( -7.764 0.000 3.321) 8.444 6.264 ( 7.764 0.000 3.321) 8.444 6.313 ( -12.954 0.000 -1.459) 13.036 6.313 ( 12.954 0.000 -1.459) 13.036 6.640 ( -5.369 0.000 -1.350) 5.536 6.640 ( 5.369 0.000 -1.350) 5.536 7.930 ( -9.982 0.000 -7.269) 12.348 7.930 ( 9.982 0.000 -7.269) 12.348 7.978 ( -4.739 0.000 -11.214) 12.174 7.978 ( 4.739 0.000 -11.214) 12.174 8.706 ( -7.543 0.000 0.032) 7.543 8.706 ( 7.543 0.000 0.032) 7.543 9.222 ( -6.472 0.000 -2.341) 6.883 9.222 ( 6.472 0.000 -2.341) 6.883 9.841 ( -2.806 0.000 -2.802) 3.965 9.841 ( 2.806 0.000 -2.802) 3.965 10.106 ( -5.838 0.000 0.025) 5.838 10.106 ( 5.838 0.000 0.025) 5.838 10.540 ( -2.110 0.000 -6.127) 6.480 10.540 ( 2.110 0.000 -6.127) 6.480 11.004 ( -4.305 0.000 7.194) 8.383 11.004 ( 4.305 0.000 7.194) 8.383 11.281 ( -1.425 0.000 -6.687) 6.837 11.281 ( 1.425 0.000 -6.687) 6.837 12.430 ( -5.254 0.000 -1.838) 5.566 12.430 ( 5.254 0.000 -1.838) 5.566 12.616 ( -3.336 0.000 0.663) 3.401 12.616 ( 3.336 0.000 0.663) 3.401 14.490 ( -8.558 0.000 8.748) 12.238 14.490 ( 8.558 0.000 8.748) 12.238 15.109 ( -1.892 0.000 -7.286) 7.528 15.109 ( 1.892 0.000 -7.286) 7.528 ======================= Grid point 261 (86/140) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 0.000 3.573 19.054) 19.386 2.153 ( 0.000 3.166 20.924) 21.162 2.679 ( 0.000 10.254 10.429) 14.626 3.048 ( 0.000 -2.492 1.135) 2.738 3.353 ( 0.000 1.284 -6.871) 6.990 3.395 ( 0.000 -2.032 23.030) 23.120 3.673 ( 0.000 1.630 -3.669) 4.015 4.191 ( 0.000 -5.963 3.520) 6.925 4.275 ( 0.000 -6.745 13.816) 15.374 4.388 ( 0.000 -2.576 -1.498) 2.980 4.670 ( 0.000 1.259 -8.359) 8.453 5.071 ( 0.000 7.644 1.315) 7.757 5.327 ( 0.000 6.921 -4.953) 8.511 5.522 ( 0.000 -6.082 -9.960) 11.670 5.642 ( 0.000 -0.426 9.319) 9.329 5.926 ( 0.000 0.493 -5.625) 5.647 6.106 ( 0.000 -6.090 -0.595) 6.119 6.374 ( 0.000 -9.408 -0.686) 9.433 6.562 ( 0.000 -2.974 -2.514) 3.894 6.867 ( 0.000 7.196 1.286) 7.310 6.901 ( 0.000 8.929 -3.379) 9.547 7.469 ( 0.000 -6.719 8.103) 10.526 7.606 ( 0.000 -2.613 -13.537) 13.787 7.673 ( 0.000 -4.625 5.631) 7.287 7.763 ( 0.000 2.531 3.083) 3.989 8.334 ( 0.000 2.441 -0.706) 2.541 8.355 ( 0.000 -6.364 1.645) 6.573 8.578 ( 0.000 -2.472 1.099) 2.706 8.801 ( 0.000 9.586 -3.975) 10.378 9.138 ( 0.000 2.395 -11.530) 11.776 9.597 ( 0.000 -9.949 -4.538) 10.935 9.926 ( 0.000 -8.075 -9.277) 12.299 10.083 ( 0.000 3.301 -5.503) 6.417 10.150 ( 0.000 5.793 -5.438) 7.946 10.557 ( 0.000 6.033 2.353) 6.476 10.948 ( 0.000 -6.787 -11.144) 13.048 11.010 ( 0.000 1.528 -6.618) 6.792 11.031 ( 0.000 -1.136 0.358) 1.191 11.262 ( 0.000 6.098 3.828) 7.200 11.521 ( 0.000 3.067 1.069) 3.248 11.949 ( 0.000 -1.606 5.011) 5.262 12.535 ( 0.000 9.700 7.816) 12.457 12.540 ( 0.000 2.972 -6.631) 7.267 12.862 ( 0.000 4.324 -0.109) 4.325 13.975 ( 0.000 1.824 8.815) 9.002 14.932 ( 0.000 -6.497 -12.038) 13.679 15.015 ( 0.000 -2.108 7.203) 7.505 15.185 ( 0.000 -2.170 1.281) 2.520 ======================= Grid point 262 (87/140) ======================= q-point: ( 0.12 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -11.736 3.688 20.028) 23.504 2.226 ( 5.757 8.516 19.193) 21.772 2.702 ( -2.242 -1.597 1.847) 3.315 3.136 ( 8.082 1.756 5.337) 9.843 3.299 ( -4.210 0.934 -4.439) 6.189 3.443 ( -2.863 5.361 14.384) 15.615 3.672 ( 6.803 -5.019 4.651) 9.649 4.225 ( 2.829 -3.537 5.062) 6.793 4.303 ( 0.670 0.427 8.231) 8.269 4.376 ( 1.572 -8.281 1.909) 8.642 4.688 ( 1.400 0.399 -6.557) 6.717 5.080 ( 0.910 6.662 1.717) 6.940 5.332 ( 0.309 6.612 -5.270) 8.461 5.503 ( -1.954 -6.170 -10.291) 12.157 5.675 ( 3.485 -0.858 7.781) 8.569 5.880 ( -4.109 1.040 -2.157) 4.756 6.097 ( -1.008 -5.271 -0.967) 5.453 6.330 ( -3.450 -7.664 2.744) 8.841 6.569 ( -1.734 -4.330 -3.429) 5.789 6.793 ( -6.445 7.189 1.093) 9.716 6.894 ( -1.841 8.441 -1.876) 8.841 7.309 ( -7.451 -2.727 10.770) 13.377 7.455 ( -11.181 -2.187 -13.092) 17.355 7.695 ( 1.596 -7.560 2.753) 8.202 7.908 ( 6.884 0.544 -1.278) 7.023 8.298 ( 0.792 2.878 -1.818) 3.495 8.485 ( 2.698 -2.607 -4.669) 5.990 8.619 ( 8.467 -1.774 4.598) 9.797 8.894 ( 8.387 5.000 -2.619) 10.109 9.137 ( -0.737 2.143 -9.228) 9.502 9.606 ( 0.896 -9.672 -4.201) 10.583 9.876 ( -3.910 -6.537 -8.158) 11.161 10.132 ( 2.529 5.530 -5.651) 8.301 10.151 ( 1.581 3.682 -5.578) 6.868 10.534 ( -2.064 4.776 1.716) 5.479 10.847 ( -7.971 0.950 -7.484) 10.975 11.006 ( 2.068 -7.948 -8.348) 11.710 11.067 ( -0.484 1.926 1.564) 2.528 11.263 ( -0.191 3.502 1.996) 4.036 11.455 ( -5.305 1.526 1.231) 5.656 12.035 ( 7.318 0.040 4.097) 8.387 12.516 ( -0.476 7.291 2.989) 7.895 12.581 ( 2.683 6.303 -1.902) 7.109 12.868 ( 0.492 5.821 -0.384) 5.854 14.023 ( 4.492 0.593 8.157) 9.331 14.927 ( -1.806 -5.356 -6.507) 8.619 14.974 ( -2.563 -3.256 2.151) 4.669 15.175 ( -1.017 -2.458 0.572) 2.721 ======================= Grid point 263 (88/140) ======================= q-point: ( 0.25 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -1.281 5.892 16.547) 17.611 2.376 ( 8.700 8.195 16.515) 20.386 2.643 ( -1.451 -4.931 -3.915) 6.461 3.091 ( -14.291 2.025 2.595) 14.665 3.148 ( -9.087 -0.220 0.744) 9.120 3.406 ( -1.046 5.380 0.980) 5.567 3.957 ( 17.572 -4.890 14.853) 23.522 4.247 ( 1.900 -0.146 6.010) 6.305 4.362 ( 4.762 -0.554 2.503) 5.409 4.469 ( 6.782 -3.324 8.901) 11.674 4.716 ( 1.566 -2.602 -3.426) 4.578 5.103 ( 1.295 4.704 3.325) 5.904 5.327 ( -1.414 5.364 -6.838) 8.805 5.443 ( -3.917 -4.549 -7.919) 9.937 5.741 ( -1.340 -1.398 2.366) 3.058 5.834 ( 4.734 1.088 5.236) 7.142 6.068 ( -1.770 -5.203 -0.438) 5.514 6.238 ( -6.338 -2.003 8.125) 10.498 6.442 ( -9.170 -6.421 0.643) 11.213 6.665 ( -4.899 4.591 0.388) 6.725 6.831 ( -4.092 10.539 -0.005) 11.306 7.103 ( -15.261 -5.198 -7.630) 17.837 7.404 ( 7.609 -0.869 1.745) 7.855 7.734 ( 2.161 -7.665 -2.158) 8.251 8.010 ( 4.217 0.777 -7.387) 8.541 8.257 ( -4.603 4.114 -7.706) 9.874 8.549 ( 3.715 -1.395 0.054) 3.968 8.830 ( 10.115 -0.696 1.378) 10.232 9.040 ( -0.400 0.690 -4.208) 4.283 9.135 ( 5.944 1.505 -3.176) 6.905 9.634 ( 2.012 -9.081 -3.221) 9.844 9.799 ( -3.339 -5.882 -6.679) 9.506 10.146 ( 0.894 9.185 -3.103) 9.736 10.235 ( 4.436 3.986 -6.429) 8.769 10.492 ( -1.606 1.990 0.440) 2.595 10.697 ( -6.440 1.682 -7.056) 9.700 11.015 ( -4.003 0.305 4.169) 5.788 11.047 ( 0.996 -8.559 -7.048) 11.132 11.236 ( -2.448 -0.291 2.252) 3.339 11.359 ( -3.383 0.957 -1.974) 4.032 12.198 ( 8.224 1.439 3.462) 9.038 12.512 ( -0.201 7.955 4.262) 9.027 12.642 ( 3.334 7.887 -3.271) 9.166 12.872 ( -0.320 9.052 -1.075) 9.121 14.139 ( 6.744 -1.689 7.284) 10.069 14.810 ( -8.193 -2.805 6.643) 10.914 14.975 ( 1.402 -5.877 -9.692) 11.421 15.145 ( -1.904 -3.176 -1.532) 4.007 ======================= Grid point 264 (89/140) ======================= q-point: ( 0.38 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 12.312 5.391 9.447) 16.428 2.523 ( 0.536 2.144 9.854) 10.098 2.631 ( -3.309 -0.424 -4.743) 5.798 2.801 ( -4.010 3.866 4.025) 6.872 2.977 ( -7.777 0.513 2.893) 8.313 3.268 ( -11.484 4.259 -2.121) 12.431 4.199 ( 6.456 -5.693 7.697) 11.547 4.388 ( -1.552 -3.191 4.158) 5.467 4.450 ( 15.150 1.403 11.987) 19.370 4.664 ( 11.610 1.392 8.044) 14.193 4.754 ( 2.137 -4.299 0.005) 4.801 5.128 ( 0.742 3.365 4.782) 5.894 5.241 ( -7.200 4.528 -5.261) 10.001 5.344 ( -5.913 -1.926 -4.201) 7.505 5.715 ( 1.641 0.107 5.453) 5.695 5.971 ( -3.463 -1.833 5.309) 6.598 6.035 ( 6.352 -3.816 -1.158) 7.500 6.119 ( -2.246 -0.432 8.233) 8.545 6.298 ( -4.510 -8.145 2.922) 9.758 6.569 ( -6.787 3.353 -0.436) 7.583 6.742 ( -4.188 9.577 -0.491) 10.465 6.822 ( -10.172 -0.064 -5.289) 11.465 7.603 ( 10.116 -6.627 -3.233) 12.518 7.774 ( 1.383 -8.050 -5.606) 9.907 8.084 ( 2.750 3.932 -9.617) 10.748 8.164 ( -3.775 4.665 -10.049) 11.704 8.605 ( 2.526 -0.390 1.126) 2.793 8.858 ( -7.696 -2.816 -2.471) 8.559 9.089 ( 8.289 3.943 -0.798) 9.213 9.258 ( 2.871 -0.882 -3.127) 4.336 9.685 ( 2.741 -8.456 -2.723) 9.296 9.750 ( -1.520 -6.014 -4.981) 7.956 10.186 ( 3.299 10.792 -0.747) 11.310 10.296 ( 1.061 8.443 -3.957) 9.384 10.484 ( 0.958 -0.724 -1.996) 2.330 10.593 ( -4.160 0.522 -6.126) 7.423 10.935 ( -3.004 -3.567 4.758) 6.662 11.007 ( -4.581 -7.710 -0.527) 8.984 11.220 ( 1.403 -2.130 -2.294) 3.430 11.310 ( -2.124 -0.487 -4.862) 5.328 12.347 ( 6.424 2.093 3.673) 7.691 12.498 ( -1.379 6.829 4.783) 8.450 12.714 ( 3.864 10.851 -3.762) 12.117 12.849 ( -2.056 11.909 -2.089) 12.264 14.284 ( 7.699 -3.144 7.351) 11.099 14.631 ( -9.309 -3.078 7.853) 12.562 15.011 ( 2.081 -5.644 -9.176) 10.972 15.102 ( -2.278 -4.100 -4.441) 6.459 ======================= Grid point 265 (90/140) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -19.774 3.373 3.527) 20.368 2.207 ( 19.774 3.373 3.527) 20.368 2.740 ( -7.992 -0.323 3.897) 8.897 2.740 ( 7.992 -0.323 3.897) 8.897 3.018 ( -11.604 4.821 -0.465) 12.574 3.018 ( 11.604 4.821 -0.465) 12.574 4.311 ( -5.067 -3.050 6.308) 8.647 4.311 ( 5.067 -3.050 6.308) 8.647 4.687 ( -6.857 -4.887 6.338) 10.539 4.687 ( 6.857 -4.887 6.338) 10.539 4.970 ( -14.417 5.277 5.128) 16.186 4.970 ( 14.417 5.277 5.128) 16.186 5.228 ( -4.919 0.663 -1.702) 5.247 5.228 ( 4.919 0.663 -1.702) 5.247 5.813 ( -7.483 0.188 5.261) 9.149 5.813 ( 7.483 0.188 5.261) 9.149 6.130 ( -1.222 -7.276 4.801) 8.802 6.130 ( 1.222 -7.276 4.801) 8.802 6.358 ( -11.279 0.024 -1.187) 11.342 6.358 ( 11.279 0.024 -1.187) 11.342 6.717 ( -1.834 6.697 -1.582) 7.122 6.717 ( 1.834 6.697 -1.582) 7.122 7.754 ( -4.250 -9.950 -6.253) 12.497 7.754 ( 4.250 -9.950 -6.253) 12.497 8.118 ( -1.389 6.884 -10.221) 12.401 8.118 ( 1.389 6.884 -10.221) 12.401 8.695 ( -6.953 -1.256 -0.292) 7.072 8.695 ( 6.953 -1.256 -0.292) 7.072 9.232 ( -4.912 1.077 -2.446) 5.593 9.232 ( 4.912 1.077 -2.446) 5.593 9.727 ( -1.306 -7.129 -3.632) 8.107 9.727 ( 1.306 -7.129 -3.632) 8.107 10.266 ( -3.719 10.973 -0.721) 11.609 10.266 ( 3.719 10.973 -0.721) 11.609 10.524 ( -2.774 -0.966 -4.395) 5.287 10.524 ( 2.774 -0.966 -4.395) 5.287 10.926 ( -2.300 -6.413 3.101) 7.485 10.926 ( 2.300 -6.413 3.101) 7.485 11.264 ( -2.459 -2.048 -4.979) 5.919 11.264 ( 2.459 -2.048 -4.979) 5.919 12.449 ( -3.688 4.010 4.342) 6.966 12.449 ( 3.688 4.010 4.342) 6.966 12.791 ( -3.582 12.811 -3.171) 13.675 12.791 ( 3.582 12.811 -3.171) 13.675 14.448 ( -8.717 -3.421 7.851) 12.220 14.448 ( 8.717 -3.421 7.851) 12.220 15.056 ( -2.308 -4.991 -7.222) 9.077 15.056 ( 2.308 -4.991 -7.222) 9.077 ======================= Grid point 270 (91/140) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 0.000 7.395 12.152) 14.225 2.238 ( 0.000 4.533 14.790) 15.469 2.819 ( 0.000 0.452 9.386) 9.397 3.004 ( 0.000 -2.253 6.650) 7.022 3.333 ( 0.000 -2.100 -3.611) 4.178 3.462 ( 0.000 10.037 16.931) 19.683 3.771 ( 0.000 7.273 1.203) 7.372 4.006 ( 0.000 -14.408 9.476) 17.245 4.131 ( 0.000 -0.603 4.959) 4.995 4.284 ( 0.000 -5.843 -0.100) 5.844 4.850 ( 0.000 10.902 -1.290) 10.978 5.150 ( 0.000 0.754 2.797) 2.897 5.270 ( 0.000 -11.694 0.199) 11.696 5.511 ( 0.000 1.961 -13.515) 13.656 5.654 ( 0.000 3.358 10.262) 10.798 5.946 ( 0.000 1.375 -6.590) 6.732 5.981 ( 0.000 -4.448 0.441) 4.470 6.201 ( 0.000 -7.490 -4.115) 8.546 6.541 ( 0.000 1.478 -4.830) 5.051 7.012 ( 0.000 0.291 -8.401) 8.406 7.015 ( 0.000 6.154 4.845) 7.832 7.260 ( 0.000 -10.527 6.530) 12.388 7.530 ( 0.000 -3.740 -4.763) 6.055 7.563 ( 0.000 -5.040 2.704) 5.719 7.894 ( 0.000 9.147 3.418) 9.765 8.300 ( 0.000 0.619 2.396) 2.475 8.368 ( 0.000 -0.062 -1.485) 1.486 8.505 ( 0.000 -4.173 2.245) 4.739 8.978 ( 0.000 7.098 -6.566) 9.670 9.213 ( 0.000 4.256 -7.197) 8.361 9.397 ( 0.000 -7.832 -8.553) 11.597 9.735 ( 0.000 -9.233 -8.547) 12.582 10.146 ( 0.000 2.945 -6.307) 6.960 10.280 ( 0.000 4.720 -6.170) 7.769 10.679 ( 0.000 4.933 4.077) 6.400 10.772 ( 0.000 -6.200 -8.284) 10.347 11.040 ( 0.000 1.284 -6.490) 6.616 11.082 ( 0.000 2.651 -6.031) 6.588 11.380 ( 0.000 4.268 6.580) 7.843 11.525 ( 0.000 -2.273 4.808) 5.318 11.978 ( 0.000 5.711 5.787) 8.130 12.687 ( 0.000 9.005 -9.327) 12.965 12.764 ( 0.000 10.684 6.958) 12.750 12.832 ( 0.000 -7.037 4.359) 8.278 14.078 ( 0.000 7.730 3.594) 8.524 14.739 ( 0.000 -11.180 -11.076) 15.737 14.968 ( 0.000 -1.717 4.788) 5.086 15.121 ( 0.000 -3.726 0.778) 3.806 ======================= Grid point 271 (92/140) ======================= q-point: ( 0.12 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -8.705 8.176 14.593) 18.857 2.386 ( 7.038 4.342 9.189) 12.362 2.694 ( -7.136 2.246 8.435) 11.274 3.108 ( 3.583 -5.242 6.338) 8.971 3.294 ( -1.827 -0.307 -0.962) 2.088 3.626 ( 10.477 3.974 10.625) 15.442 3.662 ( -5.568 11.494 4.775) 13.635 4.045 ( 3.423 -15.020 7.870) 17.299 4.196 ( 2.635 -2.998 5.210) 6.563 4.295 ( 3.921 -1.029 1.919) 4.485 4.852 ( 0.265 10.417 -0.181) 10.421 5.128 ( -1.607 -2.071 1.673) 3.110 5.298 ( 2.185 -8.734 1.298) 9.096 5.502 ( -1.721 4.858 -12.513) 13.533 5.650 ( 0.987 -0.783 7.123) 7.234 5.913 ( -2.987 1.957 -3.353) 4.898 5.982 ( -0.321 -4.287 -0.231) 4.305 6.191 ( -1.058 -6.745 -1.185) 6.930 6.521 ( -2.866 1.019 -4.255) 5.230 6.916 ( -8.291 4.119 3.352) 9.846 7.026 ( 0.753 2.213 -5.845) 6.295 7.177 ( -7.831 -8.550 2.960) 11.966 7.429 ( -7.374 0.080 -0.800) 7.417 7.542 ( 0.750 -5.122 2.635) 5.809 7.981 ( 5.109 5.705 -1.022) 7.726 8.343 ( 2.725 1.317 -0.018) 3.027 8.425 ( 2.222 -2.978 -2.703) 4.595 8.568 ( 8.738 -2.946 3.225) 9.769 9.016 ( 3.874 5.922 -5.679) 9.073 9.204 ( -1.069 3.865 -5.670) 6.945 9.414 ( 1.614 -7.371 -7.888) 10.916 9.712 ( -2.068 -8.254 -8.282) 11.874 10.190 ( 4.183 2.493 -7.149) 8.650 10.285 ( 0.651 5.005 -5.524) 7.483 10.630 ( -3.734 3.745 2.697) 5.936 10.791 ( 0.269 -4.084 -6.921) 8.041 10.946 ( -5.173 1.730 -6.523) 8.503 11.106 ( -1.044 0.668 -4.752) 4.911 11.338 ( -3.933 2.989 6.139) 7.880 11.444 ( -6.215 -1.924 3.486) 7.381 12.078 ( 8.335 5.452 6.072) 11.665 12.728 ( 3.596 10.873 -6.799) 13.318 12.775 ( 1.151 10.014 5.280) 11.379 12.876 ( 3.938 -5.404 4.101) 7.844 14.096 ( 1.801 6.564 3.367) 7.594 14.745 ( 0.458 -11.027 -10.803) 15.444 14.917 ( -4.796 -1.785 4.712) 6.957 15.102 ( -1.871 -4.286 0.132) 4.678 ======================= Grid point 272 (93/140) ======================= q-point: ( 0.25 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -0.559 9.941 11.881) 15.501 2.498 ( 3.342 -4.328 -1.396) 5.644 2.620 ( 0.698 9.531 12.145) 15.454 3.068 ( -6.063 -3.990 2.459) 7.664 3.203 ( -9.620 5.195 2.131) 11.139 3.517 ( -4.483 4.344 0.387) 6.254 3.893 ( 8.749 -1.472 10.170) 13.496 4.123 ( 3.931 -16.469 5.633) 17.844 4.254 ( 8.253 1.042 6.738) 10.705 4.467 ( 10.786 3.512 6.550) 13.099 4.859 ( 0.476 10.251 1.848) 10.427 5.105 ( -0.351 -4.513 2.166) 5.019 5.335 ( 0.850 -5.172 2.249) 5.704 5.439 ( -3.773 5.964 -7.999) 10.668 5.698 ( 1.715 -3.164 -2.009) 4.122 5.856 ( -0.890 0.101 2.226) 2.399 5.957 ( -2.062 -3.888 1.087) 4.533 6.161 ( -1.584 -5.847 3.503) 6.998 6.383 ( -10.776 1.943 1.904) 11.115 6.760 ( -6.412 2.860 0.668) 7.053 6.968 ( -10.670 -5.953 -5.287) 13.313 7.038 ( -1.226 7.642 -0.822) 7.783 7.350 ( 0.446 -3.331 -0.576) 3.410 7.584 ( 2.551 -5.425 1.823) 6.266 8.077 ( 5.139 4.643 -5.604) 8.909 8.297 ( -4.149 -0.254 -6.079) 7.365 8.529 ( 5.172 -0.148 0.901) 5.252 8.756 ( 6.979 -5.389 -0.090) 8.818 9.114 ( 4.431 4.999 -3.897) 7.734 9.186 ( 1.191 3.519 -3.830) 5.335 9.457 ( 2.681 -6.825 -5.987) 9.467 9.666 ( -2.142 -6.607 -7.414) 10.159 10.298 ( 5.813 1.924 -8.657) 10.604 10.313 ( 2.481 5.496 -3.718) 7.084 10.561 ( -2.555 4.176 2.685) 5.583 10.730 ( -5.622 1.219 -5.256) 7.792 10.894 ( -1.435 -3.632 -7.941) 8.849 11.026 ( -6.029 -0.867 -0.591) 6.120 11.234 ( -5.908 -0.016 5.589) 8.133 11.334 ( -4.457 -2.733 -1.319) 5.391 12.264 ( 9.675 6.472 6.810) 13.486 12.764 ( -0.537 12.885 7.460) 14.898 12.849 ( 5.870 10.134 -6.663) 13.474 12.967 ( 4.590 -1.395 3.129) 5.728 14.150 ( 3.611 3.773 3.111) 6.079 14.728 ( -4.675 -5.995 -2.888) 8.132 14.819 ( -2.030 -6.562 -2.597) 7.343 15.050 ( -3.265 -5.704 -1.752) 6.802 ======================= Grid point 273 (94/140) ======================= q-point: ( 0.38 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 10.397 9.138 6.567) 15.321 2.562 ( 2.864 -4.029 -5.637) 7.498 2.605 ( -5.719 4.313 6.956) 9.985 2.899 ( -9.376 -0.007 0.625) 9.397 3.054 ( -0.733 10.700 6.068) 12.322 3.379 ( -9.810 5.991 1.071) 11.545 4.016 ( 5.790 -11.038 7.250) 14.420 4.168 ( 0.173 -16.451 4.939) 17.177 4.508 ( 12.786 4.454 6.837) 15.168 4.661 ( 6.345 4.551 5.641) 9.633 4.904 ( 6.051 9.741 4.775) 12.422 5.124 ( 2.243 -4.169 4.861) 6.785 5.304 ( -3.876 -2.043 3.957) 5.904 5.347 ( -6.794 6.575 -4.997) 10.694 5.690 ( 0.295 -2.230 -0.614) 2.332 5.849 ( -3.549 -10.555 -3.760) 11.754 5.974 ( 4.912 0.056 6.042) 7.786 6.153 ( 0.952 -2.138 5.927) 6.372 6.163 ( -7.917 0.603 6.477) 10.247 6.573 ( -12.830 -4.180 -1.851) 13.620 6.852 ( -0.349 5.713 -2.707) 6.332 6.978 ( -4.256 10.508 -2.058) 11.522 7.424 ( 5.599 -9.414 -2.815) 11.309 7.606 ( -1.097 -7.883 -1.821) 8.165 8.191 ( 5.636 5.638 -7.705) 11.087 8.248 ( -0.249 3.357 -7.629) 8.339 8.588 ( 1.333 -1.197 0.078) 1.793 8.769 ( -5.020 -5.416 -2.286) 7.730 9.196 ( 4.994 5.892 -2.448) 8.102 9.259 ( 3.304 1.324 -3.550) 5.027 9.522 ( 3.683 -6.415 -4.857) 8.849 9.630 ( -1.615 -5.656 -6.005) 8.406 10.377 ( 4.301 6.229 -2.938) 8.120 10.405 ( 3.728 0.813 -7.139) 8.095 10.557 ( 2.247 7.643 1.476) 8.102 10.617 ( -5.009 1.986 -2.322) 5.867 10.806 ( -6.327 -5.649 -2.234) 8.771 10.911 ( -6.046 -2.233 -2.755) 7.009 11.154 ( -0.943 -4.057 1.603) 4.463 11.254 ( -3.752 -4.530 -3.940) 7.079 12.453 ( 8.939 8.622 7.713) 14.620 12.721 ( -3.797 12.298 8.456) 15.400 12.965 ( 5.163 10.496 -4.678) 12.598 13.038 ( 2.028 3.827 1.169) 4.486 14.244 ( 5.892 0.917 3.414) 6.871 14.568 ( -9.294 -1.766 3.916) 10.238 14.841 ( 2.585 -10.061 -8.366) 13.338 14.978 ( -3.765 -7.515 -4.413) 9.493 ======================= Grid point 274 (95/140) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -16.453 6.406 2.317) 17.807 2.312 ( 16.453 6.406 2.317) 17.807 2.717 ( -8.770 -2.397 -1.490) 9.213 2.717 ( 8.770 -2.397 -1.490) 9.213 3.169 ( -9.762 9.735 4.589) 14.530 3.169 ( 9.762 9.735 4.589) 14.530 4.125 ( -4.311 -14.133 6.067) 15.972 4.125 ( 4.311 -14.133 6.067) 15.972 4.677 ( -3.885 4.442 3.750) 6.992 4.677 ( 3.885 4.442 3.750) 6.992 5.110 ( -10.697 4.936 8.344) 14.437 5.110 ( 10.697 4.936 8.344) 14.437 5.223 ( -3.214 0.849 0.304) 3.338 5.223 ( 3.214 0.849 0.304) 3.338 5.751 ( -5.060 -6.466 -2.389) 8.551 5.751 ( 5.060 -6.466 -2.389) 8.551 6.043 ( -3.002 -0.138 8.666) 9.172 6.043 ( 3.002 -0.138 8.666) 9.172 6.311 ( -11.998 -4.041 0.102) 12.661 6.311 ( 11.998 -4.041 0.102) 12.661 6.894 ( -3.663 9.514 -2.280) 10.447 6.894 ( 3.663 9.514 -2.280) 10.447 7.538 ( -5.158 -10.308 -3.678) 12.099 7.538 ( 5.158 -10.308 -3.678) 12.099 8.258 ( -0.502 6.574 -8.388) 10.670 8.258 ( 0.502 6.574 -8.388) 10.670 8.644 ( -5.364 -3.741 -1.173) 6.645 8.644 ( 5.364 -3.741 -1.173) 6.645 9.275 ( -1.896 3.087 -3.123) 4.783 9.275 ( 1.896 3.087 -3.123) 4.783 9.590 ( -2.723 -5.847 -5.047) 8.190 9.590 ( 2.723 -5.847 -5.047) 8.190 10.446 ( -0.641 3.323 -5.728) 6.653 10.446 ( 0.641 3.323 -5.728) 6.653 10.567 ( -1.187 6.832 2.669) 7.431 10.567 ( 1.187 6.832 2.669) 7.431 10.781 ( -5.149 -5.697 -2.495) 8.074 10.781 ( 5.149 -5.697 -2.495) 8.074 11.184 ( -3.037 -5.526 -3.092) 7.023 11.184 ( 3.037 -5.526 -3.092) 7.023 12.613 ( -6.871 10.839 8.366) 15.319 12.613 ( 6.871 10.839 8.366) 15.319 13.039 ( -1.935 8.229 -1.678) 8.619 13.039 ( 1.935 8.229 -1.678) 8.619 14.387 ( -8.311 -0.842 4.024) 9.273 14.387 ( 8.311 -0.842 4.024) 9.273 14.904 ( -3.512 -9.179 -6.981) 12.055 14.904 ( 3.512 -9.179 -6.981) 12.055 ======================= Grid point 279 (96/140) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 0.000 3.770 7.881) 8.737 2.348 ( 0.000 3.582 5.902) 6.904 2.793 ( 0.000 0.809 14.033) 14.057 2.900 ( 0.000 -7.261 12.225) 14.219 3.372 ( 0.000 6.946 2.469) 7.371 3.572 ( 0.000 -8.027 6.984) 10.640 3.846 ( 0.000 7.083 6.226) 9.430 4.007 ( 0.000 12.285 3.017) 12.650 4.038 ( 0.000 -8.418 2.503) 8.782 4.202 ( 0.000 -4.244 2.873) 5.126 4.968 ( 0.000 0.078 12.509) 12.509 5.032 ( 0.000 -8.200 7.782) 11.305 5.239 ( 0.000 9.203 -6.101) 11.041 5.434 ( 0.000 -7.594 -6.685) 10.117 5.794 ( 0.000 7.766 1.735) 7.958 5.916 ( 0.000 -3.029 -1.634) 3.442 5.976 ( 0.000 1.543 -6.607) 6.785 6.049 ( 0.000 -6.209 -4.658) 7.762 6.640 ( 0.000 7.929 -7.999) 11.263 6.858 ( 0.000 -11.684 -11.861) 16.649 7.113 ( 0.000 3.079 8.360) 8.909 7.153 ( 0.000 -1.353 11.297) 11.378 7.472 ( 0.000 -1.361 -2.107) 2.508 7.482 ( 0.000 -2.321 -0.029) 2.321 8.110 ( 0.000 10.392 2.315) 10.646 8.299 ( 0.000 -6.709 -0.243) 6.713 8.347 ( 0.000 3.208 0.975) 3.353 8.419 ( 0.000 -3.587 1.636) 3.943 9.105 ( 0.000 5.119 -6.683) 8.418 9.209 ( 0.000 -4.795 -3.711) 6.063 9.383 ( 0.000 6.420 -12.045) 13.649 9.547 ( 0.000 -8.493 -9.027) 12.394 10.217 ( 0.000 3.791 -6.744) 7.737 10.296 ( 0.000 -2.815 -6.992) 7.538 10.732 ( 0.000 1.483 -4.090) 4.351 10.750 ( 0.000 1.172 1.670) 2.040 11.069 ( 0.000 1.616 -7.733) 7.900 11.102 ( 0.000 -0.804 -5.649) 5.706 11.431 ( 0.000 1.128 5.981) 6.087 11.464 ( 0.000 -2.541 5.808) 6.340 12.205 ( 0.000 14.848 7.564) 16.663 12.545 ( 0.000 -15.774 6.797) 17.176 12.900 ( 0.000 6.487 -4.957) 8.164 12.931 ( 0.000 3.886 2.227) 4.478 14.267 ( 0.000 9.626 -0.953) 9.673 14.490 ( 0.000 -11.600 -6.861) 13.477 14.966 ( 0.000 1.774 1.325) 2.214 15.034 ( 0.000 -4.175 -0.000) 4.175 ======================= Grid point 280 (97/140) ======================= q-point: ( 0.12 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -5.810 8.885 8.579) 13.649 2.373 ( -0.926 -4.721 3.727) 6.085 2.797 ( 1.435 6.389 13.165) 14.704 2.953 ( 2.952 -8.173 9.408) 12.807 3.363 ( -0.232 7.849 2.986) 8.401 3.586 ( 0.155 -10.018 6.030) 11.693 3.861 ( -1.163 1.874 2.681) 3.472 3.920 ( -3.348 4.087 2.906) 6.030 4.138 ( 6.978 3.643 5.305) 9.492 4.286 ( 8.557 -3.496 4.841) 10.434 4.955 ( -0.809 0.255 12.170) 12.199 5.037 ( 0.444 -6.660 8.885) 11.113 5.262 ( 2.045 8.347 -6.063) 10.517 5.460 ( 2.400 -7.829 -7.973) 11.429 5.738 ( -4.660 7.690 0.139) 8.993 5.888 ( -3.438 -5.313 -4.066) 7.522 5.969 ( -0.483 2.693 -1.584) 3.161 6.050 ( -0.118 -5.543 -1.663) 5.788 6.623 ( -2.608 8.149 -6.332) 10.645 6.838 ( -3.561 -11.039 -8.701) 14.500 7.035 ( -5.241 2.714 4.459) 7.397 7.090 ( -4.779 -2.022 9.015) 10.402 7.446 ( -3.012 1.202 -0.039) 3.244 7.476 ( 0.535 -1.808 0.008) 1.885 8.131 ( 1.545 7.955 0.337) 8.111 8.289 ( -1.544 -6.286 -1.107) 6.567 8.425 ( 6.695 2.854 0.613) 7.304 8.497 ( 7.301 -3.603 0.834) 8.184 9.128 ( 2.427 4.642 -5.920) 7.905 9.219 ( 0.960 -3.653 -2.976) 4.809 9.385 ( 0.211 5.492 -11.398) 12.654 9.539 ( -0.773 -8.026 -8.881) 11.995 10.248 ( 3.004 3.053 -6.974) 8.184 10.311 ( 1.503 -2.116 -6.517) 7.015 10.702 ( -2.235 3.489 -0.747) 4.210 10.754 ( -0.131 -1.020 -1.521) 1.836 11.003 ( -5.189 3.413 -7.100) 9.433 11.079 ( -3.190 -3.034 -6.321) 7.703 11.375 ( -5.256 0.885 5.701) 7.804 11.400 ( -5.642 -1.774 4.841) 7.644 12.291 ( 7.782 14.017 7.828) 17.841 12.614 ( 6.419 -14.921 6.750) 17.590 12.944 ( 3.949 5.929 -3.600) 7.982 12.956 ( 2.103 4.817 2.800) 5.955 14.272 ( 0.555 9.460 -1.315) 9.567 14.496 ( 0.623 -11.696 -7.148) 13.721 14.919 ( -4.499 2.264 1.128) 5.161 15.001 ( -3.192 -4.893 -0.483) 5.862 ======================= Grid point 281 (98/140) ======================= q-point: ( 0.25 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -0.042 10.711 6.556) 12.558 2.357 ( 0.727 -8.213 1.354) 8.356 2.823 ( -0.424 7.859 8.207) 11.371 2.961 ( -2.753 -5.729 4.583) 7.836 3.363 ( -0.491 10.374 3.652) 11.009 3.563 ( -1.450 -3.060 5.011) 6.048 3.811 ( -2.747 -7.062 0.890) 7.629 3.840 ( -4.328 -5.128 3.785) 7.704 4.360 ( 13.989 8.367 7.560) 17.968 4.509 ( 12.752 -2.624 6.514) 14.558 4.954 ( 0.757 1.391 12.399) 12.500 5.052 ( 1.197 -3.883 9.521) 10.352 5.305 ( 1.791 7.110 -5.156) 8.964 5.510 ( 1.809 -6.605 -10.189) 12.276 5.641 ( -4.314 4.491 -1.479) 6.401 5.782 ( -6.677 -6.214 -5.317) 10.557 5.960 ( 0.023 3.002 5.388) 6.168 6.043 ( -0.428 -4.731 3.515) 5.910 6.492 ( -10.179 7.639 0.257) 12.729 6.677 ( -11.294 -8.846 -1.954) 14.478 6.969 ( -0.554 4.699 0.077) 4.732 7.074 ( 3.085 -3.852 0.285) 4.943 7.367 ( -4.779 5.090 -0.778) 7.025 7.483 ( -0.638 -4.978 0.260) 5.026 8.180 ( 3.901 4.613 -2.582) 6.570 8.261 ( -0.212 -2.906 -2.928) 4.131 8.553 ( 4.519 2.597 -0.574) 5.243 8.639 ( 4.869 -5.201 -1.103) 7.210 9.202 ( 4.692 3.280 -4.655) 7.379 9.251 ( 2.571 -0.082 -2.439) 3.545 9.395 ( 0.980 2.909 -9.325) 9.817 9.521 ( -0.789 -7.011 -7.922) 10.608 10.326 ( 4.403 1.341 -6.952) 8.338 10.356 ( 3.091 -0.856 -5.138) 6.057 10.661 ( -1.364 4.928 -0.001) 5.114 10.734 ( -2.368 -1.412 -2.494) 3.718 10.898 ( -4.434 3.093 -7.537) 9.276 10.977 ( -6.297 -3.518 -4.220) 8.357 11.236 ( -8.160 0.520 4.799) 9.481 11.270 ( -6.847 -2.685 1.778) 7.566 12.482 ( 10.571 13.377 8.344) 18.982 12.776 ( 8.991 -12.717 6.562) 16.900 12.991 ( 0.944 7.386 5.153) 9.056 13.037 ( 4.500 3.584 -1.194) 5.875 14.294 ( 1.822 9.148 -2.153) 9.573 14.519 ( 1.756 -11.570 -7.654) 13.983 14.796 ( -7.396 3.290 0.409) 8.105 14.913 ( -5.395 -6.751 -1.921) 8.853 ======================= Grid point 282 (99/140) ======================= q-point: ( 0.38 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 8.430 10.086 2.896) 13.461 2.433 ( 6.964 -7.877 -1.147) 10.577 2.722 ( -9.985 5.905 2.241) 11.815 2.837 ( -9.231 -4.612 0.309) 10.324 3.361 ( 1.653 16.476 5.337) 17.398 3.527 ( -3.529 7.545 3.593) 9.071 3.751 ( -0.443 -13.722 4.599) 14.479 3.808 ( -0.798 -14.928 3.663) 15.392 4.639 ( 12.754 7.588 7.363) 16.567 4.762 ( 11.249 0.109 6.884) 13.189 4.968 ( 0.242 1.002 11.684) 11.730 5.083 ( 1.188 -4.194 10.065) 10.968 5.318 ( 0.021 8.326 -2.803) 8.785 5.498 ( -3.541 4.613 -6.716) 8.884 5.584 ( -1.591 -8.878 -4.507) 10.083 5.648 ( -5.591 -5.189 -4.842) 9.035 5.994 ( 3.460 1.976 7.901) 8.849 6.060 ( 3.421 -3.989 6.270) 8.181 6.273 ( -10.544 6.764 4.460) 13.297 6.433 ( -12.350 -7.862 0.482) 14.648 7.009 ( 3.857 8.318 -2.016) 9.387 7.154 ( 3.004 0.162 -2.290) 3.780 7.270 ( -3.377 0.853 -1.780) 3.911 7.430 ( -4.506 -8.780 -1.565) 9.992 8.295 ( 7.158 3.280 -4.748) 9.194 8.307 ( 4.814 1.878 -4.066) 6.575 8.574 ( -2.284 0.824 -2.251) 3.311 8.647 ( -3.927 -5.480 -3.000) 7.379 9.300 ( 4.584 3.144 -4.275) 7.012 9.324 ( 3.977 3.495 -3.165) 6.169 9.425 ( 1.926 -1.462 -6.800) 7.217 9.506 ( -0.970 -5.998 -6.161) 8.653 10.413 ( 4.341 0.970 -5.309) 6.926 10.436 ( 4.666 -0.406 -3.485) 5.838 10.645 ( -4.436 1.047 -2.317) 5.113 10.656 ( -1.705 0.129 -3.110) 3.549 10.814 ( -3.855 5.724 -1.231) 7.010 10.896 ( -0.860 -0.444 -5.699) 5.780 11.074 ( -6.957 -1.703 3.330) 7.898 11.137 ( -6.211 -5.821 -1.631) 8.667 12.693 ( 10.029 13.081 8.693) 18.635 12.945 ( 6.197 -6.144 6.097) 10.646 12.977 ( -1.368 6.819 7.136) 9.964 13.099 ( 1.126 -0.417 2.069) 2.392 14.352 ( 4.207 8.840 -2.745) 10.168 14.560 ( 0.892 -5.818 -6.419) 8.709 14.648 ( -5.490 -0.392 -1.999) 5.856 14.796 ( -6.057 -9.160 -4.046) 11.703 ======================= Grid point 283 (100/140) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -13.329 7.896 0.397) 15.497 2.467 ( 13.329 7.896 0.397) 15.497 2.624 ( -10.924 -6.328 -1.537) 12.717 2.624 ( 10.924 -6.328 -1.537) 12.717 3.433 ( -4.873 14.923 4.782) 16.410 3.433 ( 4.873 14.923 4.782) 16.410 3.780 ( -1.997 -17.223 4.573) 17.931 3.780 ( 1.997 -17.223 4.573) 17.931 4.833 ( -5.449 9.308 7.266) 13.005 4.833 ( 5.449 9.308 7.266) 13.005 5.032 ( -6.216 -8.501 10.310) 14.738 5.032 ( 6.216 -8.501 10.310) 14.738 5.379 ( -6.402 9.982 -2.763) 12.176 5.379 ( 6.402 9.982 -2.763) 12.176 5.582 ( -1.525 -8.948 -4.341) 10.061 5.582 ( 1.525 -8.948 -4.341) 10.061 6.094 ( -6.907 4.235 6.916) 10.652 6.094 ( 6.907 4.235 6.916) 10.652 6.204 ( -10.023 -5.642 3.251) 11.953 6.204 ( 10.023 -5.642 3.251) 11.953 7.105 ( -5.202 10.207 -2.439) 11.712 7.105 ( 5.202 10.207 -2.439) 11.712 7.321 ( -5.747 -10.213 -2.533) 11.990 7.321 ( 5.747 -10.213 -2.533) 11.990 8.400 ( -1.377 6.791 -5.474) 8.830 8.400 ( 1.377 6.791 -5.474) 8.830 8.538 ( -3.388 -6.012 -2.859) 7.470 8.538 ( 3.388 -6.012 -2.859) 7.470 9.361 ( -0.920 4.887 -4.359) 6.613 9.361 ( 0.920 4.887 -4.359) 6.613 9.472 ( -2.453 -5.417 -5.272) 7.947 9.472 ( 2.453 -5.417 -5.272) 7.947 10.496 ( -2.489 3.041 -4.361) 5.871 10.496 ( 2.489 3.041 -4.361) 5.871 10.584 ( -3.344 -4.724 -1.639) 6.015 10.584 ( 3.344 -4.724 -1.639) 6.015 10.840 ( -4.808 9.384 -1.606) 10.666 10.840 ( 4.808 9.384 -1.606) 10.666 11.035 ( -3.192 -8.366 -1.818) 9.137 11.035 ( 3.192 -8.366 -1.818) 9.137 12.869 ( -7.185 12.213 8.424) 16.485 12.869 ( 7.185 12.213 8.424) 16.485 13.071 ( -3.854 -5.269 4.648) 8.013 13.071 ( 3.854 -5.269 4.648) 8.013 14.463 ( -6.622 8.002 -2.448) 10.672 14.463 ( 6.622 8.002 -2.448) 10.672 14.681 ( -5.063 -11.321 -6.010) 13.781 14.681 ( 5.063 -11.321 -6.010) 13.781 ======================= Grid point 315 (101/140) ======================= q-point: ( 0.00 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 0.000 0.000 20.183) 20.183 2.528 ( 0.000 0.000 18.692) 18.692 2.714 ( 0.000 0.000 5.888) 5.888 3.086 ( 0.000 0.000 0.552) 0.552 3.116 ( 0.000 0.000 -12.750) 12.750 3.469 ( 0.000 0.000 -13.967) 13.967 3.866 ( 0.000 0.000 20.200) 20.200 4.324 ( 0.000 0.000 -2.700) 2.700 4.335 ( 0.000 0.000 -0.467) 0.467 4.402 ( 0.000 0.000 0.723) 0.723 4.815 ( 0.000 0.000 7.028) 7.028 4.942 ( 0.000 0.000 5.502) 5.502 5.141 ( 0.000 0.000 -4.278) 4.278 5.338 ( 0.000 0.000 -15.077) 15.077 5.855 ( 0.000 0.000 -0.924) 0.924 5.953 ( 0.000 0.000 20.015) 20.015 6.045 ( 0.000 0.000 -8.480) 8.480 6.592 ( 0.000 0.000 -0.647) 0.647 6.622 ( 0.000 0.000 0.526) 0.526 6.670 ( 0.000 0.000 -2.076) 2.076 6.740 ( 0.000 0.000 -0.755) 0.755 7.058 ( 0.000 0.000 -27.601) 27.601 7.866 ( 0.000 0.000 6.740) 6.740 7.870 ( 0.000 0.000 13.012) 13.012 7.913 ( 0.000 0.000 9.193) 9.193 8.234 ( 0.000 0.000 -5.936) 5.936 8.434 ( 0.000 0.000 0.496) 0.496 8.648 ( 0.000 0.000 3.164) 3.164 8.688 ( 0.000 0.000 2.276) 2.276 8.847 ( 0.000 0.000 -14.511) 14.511 9.705 ( 0.000 0.000 0.321) 0.321 9.863 ( 0.000 0.000 -7.202) 7.202 9.950 ( 0.000 0.000 -2.861) 2.861 9.980 ( 0.000 0.000 -4.562) 4.562 10.528 ( 0.000 0.000 4.061) 4.061 10.770 ( 0.000 0.000 -8.029) 8.029 10.962 ( 0.000 0.000 -3.007) 3.007 11.080 ( 0.000 0.000 -6.105) 6.105 11.214 ( 0.000 0.000 6.875) 6.875 11.418 ( 0.000 0.000 -3.264) 3.264 12.123 ( 0.000 0.000 8.595) 8.595 12.433 ( 0.000 0.000 -6.544) 6.544 12.552 ( 0.000 0.000 6.485) 6.485 12.735 ( 0.000 0.000 -2.782) 2.782 14.194 ( 0.000 0.000 12.826) 12.826 14.737 ( 0.000 0.000 -14.617) 14.617 15.162 ( 0.000 0.000 4.842) 4.842 15.236 ( 0.000 0.000 0.765) 0.765 ======================= Grid point 316 (102/140) ======================= q-point: ( 0.12 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -15.325 0.000 18.453) 23.987 2.512 ( 3.833 0.000 19.098) 19.479 2.720 ( -6.508 0.000 -3.652) 7.463 3.108 ( -0.964 0.000 -11.136) 11.178 3.193 ( 8.668 0.000 4.505) 9.768 3.450 ( -5.219 0.000 -5.374) 7.492 3.975 ( 11.969 0.000 15.022) 19.207 4.315 ( -0.925 0.000 2.409) 2.580 4.327 ( 1.377 0.000 -1.383) 1.952 4.438 ( 2.551 0.000 -1.247) 2.840 4.837 ( 2.134 0.000 5.947) 6.318 4.969 ( 2.731 0.000 4.722) 5.455 5.148 ( 0.700 0.000 -4.251) 4.308 5.318 ( -1.920 0.000 -14.435) 14.562 5.849 ( -0.595 0.000 0.696) 0.916 5.966 ( 1.367 0.000 18.917) 18.967 6.042 ( -0.063 0.000 -7.498) 7.498 6.581 ( -4.205 0.000 2.562) 4.924 6.591 ( -0.109 0.000 -0.227) 0.252 6.678 ( -0.300 0.000 -2.937) 2.953 6.703 ( -3.349 0.000 -0.680) 3.417 6.998 ( -5.781 0.000 -26.281) 26.910 7.626 ( -9.852 0.000 13.992) 17.113 7.868 ( -4.065 0.000 7.805) 8.800 7.978 ( -0.636 0.000 -2.226) 2.315 8.145 ( -6.427 0.000 -5.629) 8.544 8.505 ( 6.721 0.000 4.794) 8.255 8.717 ( 6.658 0.000 4.205) 7.875 8.837 ( 11.694 0.000 -1.026) 11.739 8.897 ( 3.360 0.000 -11.765) 12.235 9.712 ( 0.710 0.000 0.275) 0.761 9.855 ( -0.690 0.000 -6.562) 6.598 9.926 ( -0.780 0.000 -0.874) 1.172 10.028 ( 3.179 0.000 -5.193) 6.089 10.497 ( -2.578 0.000 2.563) 3.635 10.681 ( -6.991 0.000 -6.725) 9.701 10.995 ( 2.865 0.000 -3.080) 4.206 11.121 ( 2.725 0.000 -6.455) 7.007 11.195 ( -1.767 0.000 6.901) 7.123 11.389 ( -2.825 0.000 -2.621) 3.853 12.158 ( 3.337 0.000 7.671) 8.366 12.441 ( 0.778 0.000 -6.080) 6.129 12.555 ( 0.318 0.000 5.876) 5.885 12.726 ( -0.920 0.000 -2.671) 2.825 14.236 ( 3.999 0.000 11.929) 12.581 14.751 ( 1.336 0.000 -14.042) 14.105 15.117 ( -4.238 0.000 5.276) 6.767 15.215 ( -2.129 0.000 0.038) 2.129 ======================= Grid point 317 (103/140) ======================= q-point: ( 0.25 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -6.531 0.000 17.001) 18.213 2.571 ( -6.294 0.000 -9.583) 11.465 2.617 ( 6.349 0.000 16.033) 17.245 3.073 ( -2.577 0.000 -6.728) 7.205 3.149 ( -13.799 0.000 5.078) 14.704 3.331 ( -6.343 0.000 -2.867) 6.961 4.297 ( 18.458 0.000 10.717) 21.343 4.317 ( 1.208 0.000 4.956) 5.101 4.446 ( 11.101 0.000 2.529) 11.385 4.479 ( 1.168 0.000 -1.056) 1.574 4.897 ( 3.758 0.000 2.941) 4.772 5.037 ( 3.285 0.000 4.110) 5.261 5.165 ( 0.561 0.000 -3.415) 3.461 5.263 ( -3.578 0.000 -12.529) 13.030 5.835 ( -0.473 0.000 4.364) 4.389 6.013 ( 3.569 0.000 14.780) 15.204 6.052 ( 1.249 0.000 -5.775) 5.909 6.442 ( -9.480 0.000 6.976) 11.770 6.584 ( -0.984 0.000 -0.563) 1.133 6.617 ( -6.072 0.000 -2.419) 6.536 6.623 ( -4.134 0.000 -0.276) 4.143 6.846 ( -8.547 0.000 -19.848) 21.610 7.548 ( 2.239 0.000 9.362) 9.626 7.783 ( -3.503 0.000 3.096) 4.675 7.927 ( -2.659 0.000 -8.516) 8.922 8.018 ( -6.252 0.000 -7.161) 9.506 8.629 ( 4.278 0.000 6.427) 7.721 8.888 ( 9.554 0.000 4.270) 10.465 8.920 ( -1.784 0.000 -7.231) 7.447 9.067 ( 9.897 0.000 -4.014) 10.680 9.733 ( 1.385 0.000 0.144) 1.393 9.841 ( -0.673 0.000 -5.099) 5.143 9.938 ( 2.270 0.000 1.938) 2.985 10.090 ( 2.811 0.000 -4.883) 5.634 10.450 ( -1.650 0.000 0.039) 1.650 10.550 ( -5.218 0.000 -5.210) 7.374 11.059 ( 3.179 0.000 -3.840) 4.985 11.149 ( -2.591 0.000 6.797) 7.274 11.160 ( 1.043 0.000 -6.422) 6.506 11.308 ( -5.030 0.000 -0.832) 5.099 12.244 ( 4.856 0.000 5.538) 7.366 12.457 ( 0.567 0.000 -4.754) 4.788 12.566 ( 0.848 0.000 4.249) 4.333 12.700 ( -1.629 0.000 -2.255) 2.782 14.343 ( 6.368 0.000 10.075) 11.919 14.785 ( 1.796 0.000 -11.933) 12.068 15.007 ( -6.236 0.000 5.633) 8.404 15.153 ( -3.892 0.000 -1.785) 4.281 ======================= Grid point 318 (104/140) ======================= q-point: ( 0.38 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 6.010 0.000 11.849) 13.286 2.472 ( -5.935 0.000 -9.828) 11.481 2.754 ( 7.082 0.000 11.400) 13.421 2.859 ( -10.424 0.000 6.070) 12.062 3.001 ( -4.610 0.000 -0.694) 4.662 3.116 ( -13.617 0.000 -6.126) 14.931 4.362 ( 3.068 0.000 5.785) 6.548 4.477 ( -1.391 0.000 1.693) 2.192 4.665 ( 17.133 0.000 8.161) 18.978 4.716 ( 14.015 0.000 4.270) 14.651 4.983 ( 4.690 0.000 -1.245) 4.853 5.066 ( -1.210 0.000 5.299) 5.436 5.142 ( -3.676 0.000 -0.675) 3.738 5.179 ( -4.659 0.000 -9.517) 10.597 5.853 ( 2.966 0.000 7.408) 7.980 6.079 ( -0.454 0.000 -2.068) 2.117 6.116 ( 6.832 0.000 7.143) 9.884 6.252 ( -6.453 0.000 7.525) 9.913 6.457 ( -9.014 0.000 -1.580) 9.151 6.477 ( -8.769 0.000 -5.220) 10.205 6.599 ( 0.663 0.000 1.107) 1.291 6.701 ( -5.186 0.000 -6.496) 8.313 7.667 ( 8.011 0.000 1.891) 8.231 7.749 ( 0.303 0.000 -3.147) 3.162 7.887 ( -1.971 0.000 -8.370) 8.599 7.895 ( -5.860 0.000 -8.296) 10.157 8.675 ( 1.219 0.000 4.731) 4.886 8.833 ( -5.998 0.000 -2.992) 6.703 9.070 ( 8.045 0.000 2.343) 8.379 9.199 ( 3.005 0.000 -3.930) 4.947 9.765 ( 1.723 0.000 -0.307) 1.751 9.825 ( -1.025 0.000 -3.247) 3.405 10.015 ( 4.916 0.000 2.360) 5.453 10.129 ( 0.673 0.000 -3.105) 3.177 10.437 ( 0.249 0.000 -1.810) 1.827 10.479 ( -2.121 0.000 -4.074) 4.593 11.106 ( -1.212 0.000 6.077) 6.196 11.114 ( 2.270 0.000 -5.013) 5.503 11.166 ( -0.332 0.000 -6.271) 6.280 11.200 ( -5.296 0.000 1.678) 5.556 12.341 ( 4.540 0.000 2.881) 5.377 12.455 ( -0.891 0.000 -2.671) 2.816 12.589 ( 1.467 0.000 2.139) 2.594 12.663 ( -1.974 0.000 -1.353) 2.393 14.483 ( 7.437 0.000 8.363) 11.191 14.776 ( -4.649 0.000 -0.547) 4.681 14.924 ( 0.067 0.000 -2.579) 2.580 15.067 ( -4.558 0.000 -4.139) 6.157 ======================= Grid point 319 (105/140) ======================= q-point: (-0.50 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -13.890 0.000 3.479) 14.319 2.247 ( 13.890 0.000 3.479) 14.319 2.866 ( -9.193 0.000 -4.156) 10.089 2.866 ( 9.193 0.000 -4.156) 10.089 2.891 ( -6.324 0.000 5.646) 8.477 2.891 ( 6.324 0.000 5.646) 8.477 4.428 ( -3.217 0.000 4.605) 5.617 4.428 ( 3.217 0.000 4.605) 5.617 4.914 ( -2.726 0.000 3.956) 4.805 4.914 ( 2.726 0.000 3.956) 4.805 5.019 ( -4.222 0.000 5.367) 6.828 5.019 ( 4.222 0.000 5.366) 6.828 5.081 ( -4.998 0.000 -5.640) 7.536 5.081 ( 4.998 0.000 -5.640) 7.536 5.964 ( -7.621 0.000 7.511) 10.700 5.964 ( 7.621 0.000 7.511) 10.700 6.284 ( -9.605 0.000 -1.373) 9.702 6.284 ( 9.605 0.000 -1.373) 9.702 6.288 ( -7.045 0.000 -0.797) 7.090 6.288 ( 7.045 0.000 -0.797) 7.090 6.629 ( -2.396 0.000 0.072) 2.397 6.629 ( 2.396 0.000 0.072) 2.397 7.794 ( -3.930 0.000 -7.279) 8.272 7.794 ( 3.930 0.000 -7.279) 8.272 7.815 ( -5.778 0.000 -4.326) 7.218 7.815 ( 5.778 0.000 -4.326) 7.218 8.722 ( -4.170 0.000 1.142) 4.324 8.722 ( 4.170 0.000 1.142) 4.324 9.191 ( -3.575 0.000 -0.943) 3.698 9.191 ( 3.575 0.000 -0.943) 3.698 9.799 ( -1.577 0.000 -1.465) 2.153 9.799 ( 1.577 0.000 -1.465) 2.153 10.104 ( -3.216 0.000 -0.170) 3.220 10.104 ( 3.216 0.000 -0.170) 3.220 10.451 ( -0.989 0.000 -3.018) 3.176 10.451 ( 0.989 0.000 -3.018) 3.176 11.117 ( -2.512 0.000 4.261) 4.947 11.117 ( 2.512 0.000 4.261) 4.947 11.149 ( -1.274 0.000 -5.890) 6.026 11.149 ( 1.274 0.000 -5.890) 6.026 12.417 ( -2.948 0.000 0.001) 2.948 12.417 ( 2.948 0.000 0.001) 2.948 12.623 ( -1.902 0.000 0.145) 1.908 12.623 ( 1.902 0.000 0.145) 1.908 14.637 ( -7.810 0.000 6.472) 10.143 14.637 ( 7.810 0.000 6.472) 10.143 14.978 ( -4.045 0.000 -6.070) 7.294 14.978 ( 4.045 0.000 -6.070) 7.294 ======================= Grid point 324 (106/140) ======================= q-point: ( 0.00 0.14 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 0.000 -2.856 13.813) 14.105 2.500 ( 0.000 -2.383 13.489) 13.698 2.857 ( 0.000 9.558 8.713) 12.933 3.064 ( 0.000 1.783 1.757) 2.503 3.212 ( 0.000 4.450 -7.416) 8.648 3.503 ( 0.000 3.103 -12.662) 13.037 3.825 ( 0.000 -2.129 19.980) 20.093 4.248 ( 0.000 -3.736 1.687) 4.099 4.345 ( 0.000 -1.862 -2.748) 3.320 4.509 ( 0.000 -1.742 -7.653) 7.849 4.562 ( 0.000 -3.829 15.430) 15.898 5.133 ( 0.000 8.533 4.740) 9.761 5.160 ( 0.000 0.851 -13.327) 13.354 5.337 ( 0.000 0.474 -6.280) 6.298 5.845 ( 0.000 -0.903 0.572) 1.069 5.944 ( 0.000 -0.639 17.082) 17.094 6.025 ( 0.000 -1.767 -6.995) 7.214 6.385 ( 0.000 -12.060 2.338) 12.285 6.510 ( 0.000 -5.465 -2.983) 6.226 6.744 ( 0.000 0.983 -15.169) 15.201 6.908 ( 0.000 10.394 2.950) 10.805 7.163 ( 0.000 7.977 -15.667) 17.581 7.726 ( 0.000 -9.682 7.492) 12.243 7.769 ( 0.000 -7.603 3.977) 8.581 7.966 ( 0.000 2.401 12.802) 13.025 8.278 ( 0.000 2.833 -4.761) 5.540 8.407 ( 0.000 -1.657 4.460) 4.758 8.614 ( 0.000 -2.707 1.508) 3.098 8.758 ( 0.000 5.470 -0.897) 5.543 8.899 ( 0.000 4.473 -12.135) 12.933 9.558 ( 0.000 -10.416 0.490) 10.428 9.752 ( 0.000 -8.010 -8.479) 11.665 10.008 ( 0.000 3.295 -2.118) 3.917 10.057 ( 0.000 5.386 -4.052) 6.740 10.613 ( 0.000 6.439 3.408) 7.285 10.784 ( 0.000 -2.999 -6.165) 6.856 10.910 ( 0.000 0.435 -3.215) 3.244 10.984 ( 0.000 -4.865 -4.452) 6.595 11.345 ( 0.000 8.200 4.818) 9.511 11.506 ( 0.000 5.764 -2.395) 6.241 12.083 ( 0.000 -1.906 8.261) 8.478 12.403 ( 0.000 -0.024 -7.595) 7.596 12.674 ( 0.000 9.566 6.495) 11.562 12.843 ( 0.000 6.763 -2.056) 7.069 14.170 ( 0.000 -1.622 11.353) 11.469 14.674 ( 0.000 -5.698 -13.992) 15.108 15.129 ( 0.000 -2.961 4.630) 5.496 15.207 ( 0.000 -2.707 0.417) 2.739 ======================= Grid point 325 (107/140) ======================= q-point: ( 0.12 0.14 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -11.565 -0.501 15.663) 19.476 2.534 ( 1.966 -1.090 9.216) 9.486 2.736 ( -7.181 4.647 4.754) 9.786 3.164 ( -3.362 3.319 -8.044) 9.329 3.232 ( 8.743 3.420 4.140) 10.260 3.482 ( -5.372 3.015 -5.905) 8.533 3.920 ( 11.324 -3.146 16.130) 19.958 4.285 ( 1.811 -2.488 -1.107) 3.270 4.325 ( 0.966 -0.387 1.874) 2.144 4.549 ( 3.191 -0.622 -7.512) 8.185 4.588 ( 2.560 -5.156 14.037) 15.171 5.127 ( -0.637 3.753 -2.163) 4.378 5.163 ( 0.614 3.825 -6.846) 7.867 5.339 ( 0.199 1.825 -5.720) 6.007 5.835 ( -1.045 -1.473 2.407) 3.010 5.943 ( 0.392 -1.806 11.197) 11.349 6.034 ( 0.663 -0.988 -1.883) 2.228 6.384 ( -0.225 -10.081 3.411) 10.644 6.505 ( -1.194 -6.294 -3.625) 7.361 6.741 ( -0.660 2.523 -12.602) 12.869 6.854 ( -4.897 8.098 1.755) 9.625 7.082 ( -7.774 6.699 -14.321) 17.619 7.582 ( -7.948 -3.799 11.329) 14.351 7.771 ( -1.132 -9.241 2.481) 9.635 7.945 ( -2.745 1.329 4.412) 5.363 8.229 ( -5.366 4.191 -6.697) 9.550 8.493 ( 7.269 -0.971 6.070) 9.520 8.695 ( 7.662 -2.484 2.537) 8.445 8.851 ( 7.910 2.435 -1.971) 8.508 8.949 ( 3.779 4.066 -9.343) 10.868 9.569 ( 1.096 -10.439 0.345) 10.502 9.728 ( -1.987 -7.688 -6.981) 10.573 10.044 ( 3.135 3.699 -3.018) 5.712 10.063 ( 0.905 5.115 -3.544) 6.289 10.572 ( -3.365 5.571 2.267) 6.892 10.715 ( -6.283 1.451 -5.806) 8.677 10.905 ( 1.251 -5.377 -1.893) 5.837 11.028 ( 1.853 -3.734 -4.928) 6.455 11.323 ( -2.034 7.098 4.296) 8.542 11.457 ( -4.423 3.960 -1.255) 6.068 12.146 ( 5.679 0.056 6.925) 8.956 12.427 ( 2.321 1.576 -6.848) 7.400 12.676 ( 0.156 9.645 6.157) 11.443 12.844 ( 0.062 7.839 -2.249) 8.155 14.205 ( 3.382 -2.316 10.704) 11.462 14.687 ( 1.269 -5.794 -13.513) 14.757 15.083 ( -4.351 -3.051 5.033) 7.319 15.183 ( -2.357 -2.939 -0.270) 3.777 ======================= Grid point 326 (108/140) ======================= q-point: ( 0.25 0.14 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -5.435 2.508 14.960) 16.113 2.515 ( -3.509 -3.893 -7.180) 8.890 2.693 ( 2.958 6.165 13.672) 15.286 3.081 ( -6.054 0.757 -4.521) 7.593 3.187 ( -11.752 2.616 3.999) 12.686 3.372 ( -5.392 3.670 -3.853) 7.575 4.208 ( 12.853 -5.937 10.643) 17.713 4.320 ( 6.233 0.205 2.649) 6.776 4.441 ( 7.879 0.414 4.303) 8.987 4.617 ( 3.745 2.676 -5.459) 7.141 4.663 ( 5.009 -7.545 9.970) 13.469 5.108 ( -1.149 -1.072 -10.048) 10.170 5.192 ( 2.003 6.066 1.575) 6.580 5.342 ( -0.144 4.458 -3.752) 5.829 5.810 ( -1.006 -2.607 4.298) 5.127 5.971 ( 2.218 -3.792 3.083) 5.367 6.048 ( 0.946 -0.721 4.864) 5.007 6.365 ( -2.297 -5.270 5.540) 7.984 6.435 ( -5.762 -6.695 -2.072) 9.073 6.672 ( -6.018 4.826 -1.974) 7.962 6.775 ( -2.102 3.983 -6.295) 7.740 6.878 ( -11.492 4.845 -10.136) 16.071 7.511 ( 1.029 -3.444 8.360) 9.100 7.734 ( -2.278 -5.604 0.490) 6.069 7.908 ( -0.048 2.459 -2.774) 3.707 8.095 ( -6.961 4.224 -8.844) 12.021 8.623 ( 4.390 -0.631 6.503) 7.872 8.848 ( 4.719 -3.189 -1.189) 5.818 8.970 ( 3.572 3.814 -1.672) 5.486 9.066 ( 8.298 0.384 -3.791) 9.131 9.603 ( 2.292 -10.193 -0.098) 10.448 9.691 ( -1.329 -7.576 -4.486) 8.905 10.093 ( 2.575 7.569 -2.074) 8.259 10.128 ( 4.450 2.737 -4.258) 6.740 10.506 ( -2.708 4.532 0.913) 5.358 10.589 ( -5.413 2.996 -4.181) 7.467 10.935 ( 1.126 -8.302 -2.801) 8.834 11.029 ( -1.721 -4.992 -3.527) 6.350 11.273 ( -2.715 4.321 2.755) 5.799 11.352 ( -5.484 1.652 0.088) 5.728 12.283 ( 7.455 3.093 5.121) 9.559 12.490 ( 3.730 6.139 -4.774) 8.625 12.676 ( -0.213 9.024 4.951) 10.295 12.837 ( -0.957 9.992 -2.652) 10.382 14.298 ( 5.774 -3.678 9.303) 11.550 14.721 ( 1.862 -5.881 -11.695) 13.222 14.969 ( -6.546 -3.425 5.425) 9.165 15.115 ( -4.252 -3.506 -2.014) 5.868 ======================= Grid point 327 (109/140) ======================= q-point: ( 0.38 0.14 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 5.995 3.257 10.548) 12.562 2.461 ( -3.190 -0.834 -9.106) 9.684 2.731 ( -2.503 -1.190 8.364) 8.811 2.892 ( -6.971 1.505 3.216) 7.823 3.016 ( -4.895 3.446 2.320) 6.420 3.207 ( -9.481 6.643 -4.253) 12.333 4.346 ( 4.957 -3.054 7.576) 9.555 4.472 ( 1.759 -0.377 4.037) 4.419 4.627 ( 10.434 -4.297 5.477) 12.544 4.703 ( 3.958 -10.866 -3.940) 12.217 4.810 ( 10.082 4.494 6.817) 12.974 5.086 ( -1.127 1.111 -8.760) 8.902 5.224 ( 0.837 6.214 4.511) 7.724 5.317 ( -2.678 6.292 -0.270) 6.844 5.814 ( 1.876 -4.106 4.932) 6.686 5.988 ( -1.978 -8.088 -2.687) 8.750 6.107 ( 5.635 -0.366 7.702) 9.551 6.265 ( -5.653 0.925 6.242) 8.472 6.337 ( -3.379 -5.827 0.856) 6.790 6.532 ( -9.447 1.581 -4.393) 10.537 6.697 ( -4.056 4.524 -3.268) 6.899 6.734 ( -2.413 5.810 -3.126) 7.025 7.578 ( 4.238 -6.982 0.979) 8.226 7.696 ( -1.514 -4.759 -2.786) 5.719 7.933 ( 1.770 4.978 -5.751) 7.810 7.982 ( -3.608 5.954 -8.107) 10.686 8.667 ( 0.917 -0.936 4.436) 4.625 8.812 ( -5.541 -2.146 -2.566) 6.472 9.096 ( 6.990 2.394 1.412) 7.522 9.194 ( 3.497 -0.306 -3.268) 4.796 9.651 ( 2.066 -9.435 -0.880) 9.698 9.678 ( -0.075 -7.450 -2.522) 7.866 10.161 ( 3.951 7.886 -1.370) 8.926 10.208 ( 2.985 4.781 -4.205) 7.032 10.473 ( -0.517 3.943 0.229) 3.983 10.510 ( -2.517 3.153 -2.486) 4.739 10.936 ( -0.966 -10.939 -3.083) 11.406 10.974 ( -3.152 -7.665 -2.305) 8.602 11.226 ( -1.640 1.482 1.493) 2.667 11.260 ( -3.298 0.926 -0.134) 3.428 12.426 ( 6.478 5.759 4.259) 9.658 12.555 ( 1.764 11.759 -0.160) 11.892 12.676 ( 0.946 6.976 0.957) 7.105 12.801 ( -2.758 11.242 -3.024) 11.964 14.430 ( 7.249 -4.575 7.893) 11.652 14.720 ( -4.022 -5.090 -1.676) 6.700 14.874 ( -0.672 -4.596 -1.647) 4.928 15.021 ( -4.961 -4.244 -4.269) 7.801 ======================= Grid point 328 (110/140) ======================= q-point: (-0.50 0.14 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -13.152 2.603 3.112) 13.763 2.275 ( 13.152 2.603 3.112) 13.763 2.756 ( -6.975 -4.414 -1.261) 8.350 2.756 ( 6.975 -4.414 -1.261) 8.350 3.045 ( -6.183 8.473 2.431) 10.767 3.045 ( 6.183 8.473 2.431) 10.767 4.437 ( -3.820 -0.509 6.454) 7.517 4.437 ( 3.820 -0.509 6.454) 7.517 4.741 ( -1.030 -11.990 -0.908) 12.069 4.741 ( 1.030 -11.990 -0.908) 12.069 5.013 ( -7.788 5.663 0.654) 9.652 5.013 ( 7.788 5.663 0.654) 9.652 5.250 ( -2.850 6.735 2.930) 7.878 5.250 ( 2.850 6.735 2.930) 7.878 5.895 ( -5.731 -6.710 2.947) 9.304 5.895 ( 5.731 -6.710 2.947) 9.304 6.211 ( -1.800 -2.464 3.681) 4.782 6.211 ( 1.800 -2.464 3.681) 4.782 6.339 ( -6.665 1.046 -1.077) 6.832 6.339 ( 6.665 1.046 -1.077) 6.832 6.688 ( -1.700 5.354 -1.115) 5.728 6.688 ( 1.700 5.354 -1.115) 5.728 7.653 ( -3.051 -7.716 -4.097) 9.254 7.653 ( 3.051 -7.716 -4.097) 9.254 7.953 ( -0.304 7.510 -6.246) 9.773 7.953 ( 0.304 7.510 -6.246) 9.773 8.707 ( -3.876 -1.638 1.027) 4.331 8.707 ( 3.876 -1.638 1.027) 4.331 9.199 ( -2.773 0.874 -0.996) 3.074 9.199 ( 2.773 0.874 -0.996) 3.074 9.676 ( -0.484 -8.126 -1.642) 8.304 9.676 ( 0.484 -8.126 -1.642) 8.304 10.225 ( -1.565 6.956 -2.698) 7.624 10.225 ( 1.565 6.956 -2.698) 7.624 10.479 ( -0.881 3.691 -0.642) 3.848 10.479 ( 0.881 3.691 -0.642) 3.848 10.927 ( -0.955 -11.016 -2.381) 11.311 10.927 ( 0.955 -11.016 -2.381) 11.311 11.219 ( -0.913 0.609 0.116) 1.103 11.219 ( 0.913 0.609 0.116) 1.103 12.531 ( -3.721 9.369 3.886) 10.804 12.531 ( 3.721 9.369 3.886) 10.804 12.732 ( -3.815 9.895 -2.954) 11.009 12.732 ( 3.815 9.895 -2.954) 11.009 14.584 ( -7.884 -4.724 6.044) 11.000 14.584 ( 7.884 -4.724 6.044) 11.000 14.926 ( -4.297 -4.896 -6.012) 8.865 14.926 ( 4.297 -4.896 -6.012) 8.865 ======================= Grid point 333 (111/140) ======================= q-point: ( 0.00 0.29 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 0.000 1.372 7.238) 7.367 2.452 ( 0.000 -1.563 6.575) 6.758 3.010 ( 0.000 3.651 9.692) 10.356 3.151 ( 0.000 3.607 9.150) 9.836 3.269 ( 0.000 2.995 -3.140) 4.339 3.595 ( 0.000 5.599 -6.680) 8.716 3.853 ( 0.000 5.434 11.431) 12.657 4.182 ( 0.000 -4.008 -1.428) 4.254 4.185 ( 0.000 -15.744 7.953) 17.638 4.272 ( 0.000 -3.332 0.025) 3.332 4.812 ( 0.000 14.322 -0.014) 14.322 5.143 ( 0.000 -1.978 -13.096) 13.245 5.241 ( 0.000 1.415 5.229) 5.417 5.366 ( 0.000 1.167 -1.609) 1.988 5.824 ( 0.000 -0.648 2.687) 2.764 5.936 ( 0.000 0.031 10.913) 10.913 5.976 ( 0.000 -2.677 -3.725) 4.587 6.151 ( 0.000 -9.475 2.195) 9.726 6.433 ( 0.000 -1.562 -6.192) 6.386 6.704 ( 0.000 -4.537 -20.357) 20.856 7.118 ( 0.000 8.902 5.686) 10.563 7.309 ( 0.000 4.438 -2.714) 5.202 7.527 ( 0.000 -7.635 3.733) 8.499 7.599 ( 0.000 -7.671 0.753) 7.708 8.039 ( 0.000 5.197 10.010) 11.278 8.316 ( 0.000 0.513 -3.793) 3.827 8.385 ( 0.000 -0.357 5.822) 5.833 8.544 ( 0.000 -4.005 0.719) 4.069 8.882 ( 0.000 5.854 -3.145) 6.645 9.019 ( 0.000 6.436 -10.676) 12.466 9.342 ( 0.000 -9.152 1.688) 9.306 9.572 ( 0.000 -8.636 -8.285) 11.968 10.071 ( 0.000 2.842 -1.455) 3.193 10.166 ( 0.000 3.931 -5.312) 6.609 10.669 ( 0.000 -4.342 -2.184) 4.860 10.726 ( 0.000 2.858 0.015) 2.858 10.930 ( 0.000 0.328 -3.679) 3.693 10.985 ( 0.000 3.795 -4.137) 5.614 11.488 ( 0.000 4.173 4.609) 6.217 11.576 ( 0.000 0.270 0.627) 0.682 12.121 ( 0.000 6.907 8.805) 11.191 12.500 ( 0.000 9.005 -10.052) 13.496 12.873 ( 0.000 7.532 4.167) 8.608 12.902 ( 0.000 -2.682 2.544) 3.696 14.172 ( 0.000 2.584 6.263) 6.775 14.521 ( 0.000 -7.912 -11.184) 13.700 15.050 ( 0.000 -3.970 3.618) 5.371 15.127 ( 0.000 -4.635 -0.363) 4.649 ======================= Grid point 334 (112/140) ======================= q-point: ( 0.12 0.29 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -8.032 2.983 10.378) 13.458 2.475 ( -0.641 -2.861 0.609) 2.994 2.899 ( -5.042 8.270 11.633) 15.137 3.186 ( -3.225 -1.736 -0.275) 3.673 3.303 ( 4.071 3.330 3.798) 6.488 3.574 ( -4.786 5.491 -6.726) 9.914 3.914 ( 7.969 2.590 12.316) 14.896 4.186 ( 1.143 -13.501 3.205) 13.923 4.228 ( 2.186 -5.898 1.788) 6.539 4.345 ( 8.272 -0.226 1.745) 8.457 4.830 ( 1.682 13.819 0.415) 13.927 5.120 ( -1.706 -1.100 -8.355) 8.598 5.265 ( 2.076 2.468 0.595) 3.279 5.371 ( 0.508 0.505 -1.108) 1.319 5.786 ( -3.440 -2.855 4.374) 6.254 5.892 ( -2.337 -3.214 0.569) 4.014 6.005 ( 1.624 -1.050 4.663) 5.048 6.190 ( 2.744 -7.779 2.808) 8.713 6.427 ( -0.714 -0.831 -5.537) 5.644 6.716 ( 0.663 -4.278 -18.978) 19.466 7.025 ( -8.184 7.472 5.476) 12.361 7.214 ( -8.498 4.637 -2.238) 9.937 7.488 ( -4.764 -4.406 5.615) 8.581 7.579 ( 0.759 -7.638 0.968) 7.736 8.023 ( -1.297 5.679 5.012) 7.685 8.281 ( -4.525 0.798 -6.050) 7.597 8.474 ( 7.445 -0.652 6.410) 9.846 8.619 ( 7.156 -4.366 1.390) 8.497 8.934 ( 5.052 4.743 -2.598) 7.401 9.056 ( 2.669 5.876 -8.585) 10.740 9.351 ( 1.058 -9.382 0.976) 9.492 9.556 ( -1.358 -8.255 -7.776) 11.422 10.100 ( 2.801 2.615 -2.117) 4.378 10.180 ( 1.422 4.110 -5.030) 6.650 10.639 ( -2.527 -0.696 -0.672) 2.706 10.717 ( -1.499 1.007 -2.434) 3.030 10.865 ( -4.179 1.320 -1.114) 4.522 10.994 ( -0.648 -0.188 -5.966) 6.004 11.440 ( -4.477 3.227 4.258) 6.970 11.498 ( -6.620 -0.030 1.586) 6.808 12.214 ( 8.035 7.352 7.946) 13.482 12.558 ( 5.495 10.031 -9.296) 14.738 12.886 ( 1.071 8.394 4.591) 9.628 12.937 ( 3.089 -0.760 1.969) 3.741 14.186 ( 1.457 1.511 6.081) 6.433 14.529 ( 0.894 -8.249 -11.049) 13.818 15.002 ( -4.637 -4.092 3.907) 7.315 15.096 ( -3.023 -5.067 -0.935) 5.974 ======================= Grid point 335 (113/140) ======================= q-point: ( 0.25 0.29 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -3.626 5.240 10.352) 12.156 2.437 ( -1.784 -3.193 -4.571) 5.854 2.845 ( -2.003 7.017 10.320) 12.639 3.080 ( -7.341 -1.416 -1.464) 7.618 3.261 ( -7.564 5.295 4.099) 10.102 3.471 ( -4.480 5.596 -4.698) 8.571 4.065 ( 5.035 -8.167 7.886) 12.419 4.226 ( 2.619 -17.626 3.199) 18.104 4.357 ( 11.341 3.729 5.211) 13.026 4.550 ( 10.686 2.989 0.546) 11.109 4.875 ( 2.953 12.665 2.033) 13.163 5.101 ( 0.394 0.692 -5.147) 5.209 5.307 ( 1.788 4.499 -0.305) 4.850 5.390 ( 1.230 -0.452 0.616) 1.448 5.717 ( -2.930 -5.952 2.744) 7.179 5.840 ( -3.239 -8.190 -2.988) 9.300 6.045 ( 2.552 0.713 7.924) 8.356 6.227 ( 0.818 -6.168 3.478) 7.128 6.391 ( -3.354 1.221 -1.096) 3.734 6.681 ( -5.449 -4.005 -12.300) 14.036 6.867 ( -5.710 6.341 1.808) 8.723 7.030 ( -8.116 7.476 -2.671) 11.353 7.410 ( -2.113 -5.498 6.161) 8.524 7.596 ( 0.014 -6.628 -1.078) 6.715 8.017 ( 1.315 6.763 -0.368) 6.900 8.171 ( -4.950 3.007 -6.658) 8.825 8.602 ( 4.015 -1.249 5.637) 7.032 8.754 ( 3.983 -5.436 -0.725) 6.779 9.060 ( 6.410 3.856 -1.739) 7.679 9.106 ( 3.329 4.117 -4.075) 6.681 9.392 ( 3.044 -8.982 -0.522) 9.498 9.533 ( -0.571 -7.343 -6.337) 9.716 10.176 ( 4.459 2.157 -3.650) 6.153 10.225 ( 3.093 4.174 -4.675) 6.989 10.589 ( -1.877 2.454 0.479) 3.126 10.655 ( -3.982 2.757 -2.977) 5.685 10.803 ( -2.323 -2.726 -0.885) 3.689 10.946 ( -4.064 -3.193 -6.111) 8.003 11.326 ( -6.404 0.696 3.649) 7.404 11.353 ( -7.130 -1.015 1.888) 7.445 12.401 ( 10.008 8.798 7.397) 15.241 12.700 ( 8.092 11.762 -7.766) 16.252 12.900 ( -0.114 10.592 5.585) 11.975 13.004 ( 2.937 3.600 0.459) 4.669 14.234 ( 3.447 -1.119 5.730) 6.780 14.558 ( 1.868 -8.778 -10.272) 13.640 14.877 ( -7.416 -4.664 4.307) 9.762 15.010 ( -5.320 -6.168 -2.442) 8.503 ======================= Grid point 336 (114/140) ======================= q-point: ( 0.38 0.29 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 5.808 5.816 7.326) 11.010 2.443 ( 1.957 -0.979 -6.704) 7.052 2.725 ( -10.053 0.658 5.604) 11.528 2.887 ( -11.003 -1.810 -2.033) 11.335 3.173 ( 0.475 10.847 6.115) 12.461 3.360 ( -6.315 7.875 -2.779) 10.470 4.158 ( 4.739 -13.661 7.157) 16.134 4.262 ( 0.595 -18.751 3.798) 19.141 4.586 ( 9.151 6.175 1.934) 11.208 4.700 ( 3.045 6.336 -1.792) 7.255 4.989 ( 9.104 9.909 4.872) 14.311 5.145 ( 3.771 2.840 -2.792) 5.484 5.328 ( -0.170 4.056 3.790) 5.554 5.391 ( -2.055 0.351 3.119) 3.751 5.677 ( -0.703 -8.182 0.027) 8.212 5.764 ( -3.927 -12.157 -4.192) 13.446 6.114 ( 4.241 0.915 7.650) 8.794 6.237 ( 0.700 -3.252 3.279) 4.670 6.295 ( -5.031 1.611 5.468) 7.603 6.516 ( -9.842 -2.954 -4.549) 11.237 6.809 ( -0.251 7.263 -0.911) 7.324 6.915 ( -4.128 9.561 -4.227) 11.239 7.408 ( 1.787 -8.643 1.529) 8.957 7.560 ( -3.612 -7.840 -3.391) 9.274 8.076 ( 3.832 7.873 -3.719) 9.513 8.120 ( -0.076 6.810 -5.311) 8.637 8.629 ( -0.447 -2.705 3.403) 4.370 8.736 ( -4.670 -5.090 -1.597) 7.090 9.168 ( 4.813 4.266 -0.600) 6.459 9.200 ( 4.044 1.153 -2.419) 4.851 9.461 ( 3.494 -7.769 -1.320) 8.620 9.532 ( 0.080 -6.453 -4.202) 7.700 10.262 ( 3.792 1.943 -4.899) 6.493 10.293 ( 2.957 3.542 -5.492) 7.173 10.581 ( 0.768 4.110 0.841) 4.265 10.605 ( 0.612 3.163 -0.586) 3.274 10.742 ( -4.259 -4.318 -1.604) 6.274 10.839 ( -6.306 -3.942 -4.825) 8.865 11.210 ( -4.295 -2.646 2.911) 5.824 11.234 ( -4.579 -2.886 0.831) 5.476 12.598 ( 9.328 10.650 7.334) 15.945 12.860 ( 6.509 11.153 -5.471) 14.024 12.868 ( -2.378 13.506 6.036) 14.983 13.033 ( -0.339 8.429 -1.662) 8.598 14.328 ( 5.993 -3.710 5.358) 8.854 14.581 ( -1.435 -7.274 -4.658) 8.756 14.744 ( -3.556 -6.985 0.581) 7.860 14.893 ( -6.124 -7.594 -4.428) 10.713 ======================= Grid point 337 (115/140) ======================= q-point: (-0.50 0.29 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -11.373 4.885 2.001) 12.538 2.355 ( 11.373 4.885 2.001) 12.538 2.679 ( -7.893 -3.373 -2.067) 8.830 2.679 ( 7.893 -3.373 -2.067) 8.830 3.241 ( -5.206 10.374 2.652) 11.906 3.241 ( 5.206 10.374 2.652) 11.906 4.239 ( -2.850 -17.029 5.288) 18.058 4.239 ( 2.850 -17.029 5.288) 18.058 4.698 ( -2.596 7.449 -1.196) 7.979 4.698 ( 2.596 7.449 -1.196) 7.979 5.169 ( -5.550 8.161 1.071) 9.927 5.169 ( 5.550 8.161 1.071) 9.927 5.323 ( -2.685 -0.338 6.178) 6.744 5.323 ( 2.685 -0.338 6.178) 6.744 5.698 ( -2.518 -10.802 -2.618) 11.397 5.698 ( 2.518 -10.802 -2.618) 11.397 6.193 ( -3.568 0.487 6.252) 7.215 6.193 ( 3.568 0.487 6.252) 7.215 6.331 ( -7.450 -1.641 1.351) 7.747 6.331 ( 7.450 -1.641 1.351) 7.747 6.842 ( -3.033 8.847 -2.579) 9.702 6.842 ( 3.033 8.847 -2.579) 9.702 7.473 ( -4.340 -9.225 -2.926) 10.606 7.473 ( 4.340 -9.225 -2.926) 10.606 8.128 ( -0.638 8.959 -4.745) 10.158 8.128 ( 0.638 8.959 -4.745) 10.158 8.643 ( -3.012 -4.635 0.588) 5.559 8.643 ( 3.012 -4.635 0.588) 5.559 9.232 ( -0.990 2.321 -1.323) 2.849 9.232 ( 0.990 2.321 -1.323) 2.849 9.517 ( -1.807 -6.611 -2.459) 7.282 9.517 ( 1.807 -6.611 -2.459) 7.282 10.314 ( -1.047 2.420 -5.873) 6.438 10.314 ( 1.047 2.420 -5.873) 6.438 10.626 ( -3.576 6.463 2.437) 7.778 10.626 ( 3.576 6.463 2.437) 7.778 10.709 ( -5.527 -6.533 -4.147) 9.509 10.709 ( 5.527 -6.533 -4.147) 9.509 11.176 ( -0.879 -4.267 1.150) 4.506 11.176 ( 0.879 -4.267 1.150) 4.506 12.763 ( -6.904 11.975 7.141) 15.558 12.763 ( 6.904 11.975 7.141) 15.558 12.984 ( -4.514 11.645 -3.932) 13.093 12.984 ( 4.514 11.645 -3.932) 13.093 14.468 ( -7.581 -5.008 4.088) 9.963 14.468 ( 7.581 -5.008 4.088) 9.963 14.778 ( -4.879 -8.749 -5.723) 11.537 14.778 ( 4.879 -8.749 -5.723) 11.537 ======================= Grid point 342 (116/140) ======================= q-point: ( 0.00 0.43 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 0.000 1.505 3.344) 3.667 2.443 ( 0.000 0.377 3.637) 3.657 3.040 ( 0.000 1.216 10.742) 10.811 3.108 ( 0.000 -4.687 8.194) 9.439 3.452 ( 0.000 12.122 6.113) 13.576 3.677 ( 0.000 -3.680 2.198) 4.287 3.899 ( 0.000 -1.025 -0.007) 1.025 4.032 ( 0.000 -8.792 -3.013) 9.294 4.066 ( 0.000 8.211 4.364) 9.298 4.216 ( 0.000 -4.265 -1.370) 4.480 5.107 ( 0.000 12.640 -0.747) 12.662 5.130 ( 0.000 1.690 0.882) 1.907 5.205 ( 0.000 -3.758 5.229) 6.439 5.320 ( 0.000 -6.327 -3.216) 7.097 5.841 ( 0.000 2.559 0.487) 2.605 5.914 ( 0.000 -3.427 -2.306) 4.130 5.948 ( 0.000 1.130 6.471) 6.569 5.999 ( 0.000 -4.569 3.755) 5.914 6.454 ( 0.000 3.630 -10.782) 11.376 6.573 ( 0.000 -6.880 -16.620) 17.988 7.267 ( 0.000 4.926 6.898) 8.476 7.331 ( 0.000 -1.510 6.059) 6.244 7.442 ( 0.000 -0.802 -0.914) 1.216 7.472 ( 0.000 -3.822 -0.887) 3.924 8.179 ( 0.000 7.168 4.521) 8.475 8.295 ( 0.000 -2.977 -0.631) 3.044 8.393 ( 0.000 1.258 3.213) 3.451 8.450 ( 0.000 -4.223 1.115) 4.368 9.000 ( 0.000 5.405 -3.691) 6.545 9.103 ( 0.000 -2.418 -7.936) 8.297 9.242 ( 0.000 3.474 -1.149) 3.659 9.392 ( 0.000 -8.315 -7.024) 10.884 10.134 ( 0.000 3.122 -1.774) 3.591 10.190 ( 0.000 -1.511 -3.875) 4.159 10.652 ( 0.000 2.318 -3.352) 4.075 10.718 ( 0.000 -2.761 -4.578) 5.346 10.986 ( 0.000 3.586 -0.810) 3.676 11.030 ( 0.000 0.073 -2.270) 2.271 11.523 ( 0.000 0.355 3.504) 3.522 11.545 ( 0.000 -1.955 2.547) 3.211 12.368 ( 0.000 14.859 9.141) 17.445 12.650 ( 0.000 -5.676 1.418) 5.850 12.803 ( 0.000 3.566 -2.421) 4.310 12.932 ( 0.000 -2.670 -2.070) 3.379 14.264 ( 0.000 5.150 0.749) 5.204 14.373 ( 0.000 -5.678 -5.085) 7.622 14.992 ( 0.000 -0.810 1.309) 1.539 15.029 ( 0.000 -3.933 -0.536) 3.969 ======================= Grid point 343 (117/140) ======================= q-point: ( 0.12 0.43 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -5.397 4.102 5.356) 8.640 2.426 ( -2.803 -2.318 1.530) 3.946 3.019 ( -1.808 3.467 9.329) 10.115 3.104 ( -1.442 -4.863 5.475) 7.464 3.448 ( -0.001 10.984 5.883) 12.460 3.661 ( -2.083 -2.414 0.117) 3.190 3.871 ( -2.161 -3.977 0.777) 4.592 3.959 ( -3.569 -6.234 0.069) 7.184 4.216 ( 10.873 5.275 3.587) 12.606 4.331 ( 10.488 -3.201 -0.293) 10.970 5.116 ( 0.950 11.549 0.708) 11.609 5.136 ( 0.699 4.099 2.123) 4.669 5.235 ( 2.769 -4.457 4.116) 6.669 5.327 ( 0.761 -5.823 -3.567) 6.871 5.751 ( -7.025 0.651 0.833) 7.104 5.810 ( -6.412 -4.052 -2.947) 8.137 6.008 ( 3.313 1.343 5.183) 6.296 6.064 ( 3.869 -4.127 3.865) 6.851 6.467 ( 0.816 4.295 -9.153) 10.144 6.590 ( 0.942 -6.741 -14.764) 16.257 7.161 ( -8.416 5.393 6.810) 12.095 7.246 ( -7.212 -1.914 5.632) 9.349 7.431 ( -2.975 -0.282 -0.972) 3.142 7.466 ( 0.656 -3.270 -0.995) 3.481 8.162 ( -1.329 6.618 2.626) 7.243 8.265 ( -3.028 -2.613 -1.699) 4.345 8.473 ( 6.652 0.865 3.641) 7.632 8.525 ( 6.499 -3.993 1.456) 7.766 9.038 ( 3.648 5.080 -3.015) 6.943 9.145 ( 3.764 -2.978 -6.861) 8.373 9.233 ( -0.708 3.665 -1.518) 4.029 9.383 ( -0.641 -8.013 -7.099) 10.725 10.158 ( 2.301 2.859 -2.156) 4.256 10.208 ( 1.751 -1.248 -3.871) 4.428 10.649 ( -0.353 2.517 -3.000) 3.932 10.710 ( -0.793 -2.218 -4.251) 4.860 10.925 ( -5.390 3.509 -0.775) 6.478 10.982 ( -4.403 -1.493 -3.325) 5.715 11.466 ( -5.435 0.191 3.457) 6.444 11.479 ( -6.033 -1.139 2.848) 6.768 12.453 ( 7.712 14.004 8.783) 18.241 12.714 ( 5.914 -4.914 1.180) 7.779 12.867 ( 5.877 3.409 -1.699) 7.003 12.974 ( 3.695 -1.271 -1.153) 4.074 14.263 ( 0.004 4.864 0.531) 4.892 14.374 ( 0.127 -6.014 -5.331) 8.038 14.943 ( -4.729 -0.658 1.305) 4.950 14.988 ( -4.010 -4.434 -0.902) 6.046 ======================= Grid point 344 (118/140) ======================= q-point: ( 0.25 0.43 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -2.324 5.846 5.137) 8.122 2.371 ( -1.480 -3.644 -0.166) 3.936 2.950 ( -6.058 3.342 5.003) 8.538 3.022 ( -7.028 -3.583 1.542) 8.038 3.449 ( -0.142 12.393 5.054) 13.385 3.606 ( -2.600 5.114 -1.008) 5.825 3.841 ( -0.991 -12.305 2.503) 12.596 3.888 ( -2.658 -11.154 1.201) 11.529 4.481 ( 14.560 6.791 5.129) 16.864 4.583 ( 13.666 -1.612 1.009) 13.797 5.141 ( 1.218 10.322 3.027) 10.825 5.163 ( 2.168 7.073 3.782) 8.308 5.301 ( 3.195 -5.854 4.336) 7.955 5.354 ( 2.013 -3.984 -4.288) 6.190 5.608 ( -6.752 -1.755 -1.278) 7.093 5.673 ( -7.099 -6.398 -5.068) 10.817 6.073 ( 3.204 1.916 6.435) 7.440 6.128 ( 2.594 -3.401 4.983) 6.567 6.454 ( -2.965 4.385 -4.080) 6.683 6.566 ( -4.183 -5.932 -8.827) 11.428 7.012 ( -4.866 6.833 4.355) 9.452 7.120 ( -3.854 -1.287 2.368) 4.702 7.347 ( -5.095 1.902 -0.313) 5.447 7.457 ( -2.165 -6.542 -2.809) 7.441 8.156 ( 1.471 5.389 -0.021) 5.586 8.212 ( -1.053 0.216 -2.282) 2.522 8.585 ( 2.954 0.309 3.054) 4.260 8.639 ( 3.108 -4.712 0.599) 5.676 9.134 ( 5.505 3.772 -2.107) 6.998 9.230 ( 0.956 4.541 -2.062) 5.079 9.235 ( 4.872 -3.682 -4.493) 7.582 9.380 ( 0.630 -7.155 -6.578) 9.739 10.220 ( 3.704 2.157 -3.238) 5.372 10.258 ( 3.214 -0.824 -4.173) 5.331 10.633 ( -1.564 2.440 -2.887) 4.091 10.676 ( -3.345 -0.861 -4.163) 5.409 10.820 ( -3.420 2.725 -0.294) 4.382 10.882 ( -4.654 -2.976 -3.802) 6.706 11.321 ( -8.572 -0.308 3.424) 9.236 11.330 ( -8.375 -0.989 2.871) 8.908 12.642 ( 10.493 12.933 8.176) 18.552 12.863 ( 8.277 -3.085 0.753) 8.865 13.006 ( 7.065 2.791 -0.276) 7.602 13.053 ( 3.469 2.285 1.209) 4.326 14.272 ( 1.131 4.124 0.045) 4.276 14.386 ( 1.352 -6.799 -5.871) 9.084 14.811 ( -8.076 -0.420 1.165) 8.170 14.875 ( -6.958 -5.759 -1.951) 9.241 ======================= Grid point 345 (119/140) ======================= q-point: ( 0.38 0.43 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 5.512 6.194 3.122) 8.860 2.403 ( 5.018 -3.349 -2.045) 6.371 2.757 ( -12.515 2.502 1.684) 12.873 2.826 ( -11.893 -3.545 -1.357) 12.485 3.458 ( 1.447 15.675 4.489) 16.369 3.557 ( -2.609 10.966 -0.237) 11.274 3.833 ( 0.606 -16.525 3.642) 16.932 3.865 ( -0.347 -16.747 2.046) 16.875 4.759 ( 12.261 8.477 4.764) 15.648 4.840 ( 10.833 3.280 1.070) 11.369 5.152 ( 0.009 4.209 6.385) 7.647 5.223 ( 3.428 5.939 3.726) 7.805 5.326 ( -1.406 -4.786 3.878) 6.318 5.397 ( 0.863 0.266 -2.650) 2.799 5.502 ( -2.889 -6.314 -3.251) 7.667 5.544 ( -4.947 -6.542 -5.270) 9.749 6.141 ( 3.606 1.566 6.977) 8.009 6.181 ( 3.221 -2.239 5.769) 6.976 6.348 ( -6.637 3.401 2.374) 7.826 6.433 ( -8.072 -4.346 -1.302) 9.260 6.984 ( 1.582 8.675 -0.021) 8.818 7.096 ( -0.070 4.086 -3.720) 5.526 7.248 ( -3.471 -3.114 0.238) 4.669 7.376 ( -5.481 -9.186 -4.011) 11.424 8.231 ( 5.586 5.554 -1.810) 8.083 8.248 ( 4.515 4.138 -2.224) 6.516 8.569 ( -3.936 -1.733 1.192) 4.463 8.614 ( -5.070 -5.459 -0.859) 7.499 9.240 ( 4.605 2.989 -1.800) 5.778 9.275 ( 2.710 4.961 -2.300) 6.103 9.329 ( 4.265 -4.488 -2.535) 6.689 9.402 ( 0.954 -5.933 -4.590) 7.562 10.301 ( 4.257 2.120 -4.465) 6.523 10.335 ( 4.145 -0.074 -5.279) 6.713 10.560 ( -5.475 -1.669 -4.892) 7.529 10.586 ( -4.689 -2.586 -4.473) 6.977 10.813 ( 1.887 4.839 1.198) 5.330 10.840 ( 1.024 2.038 -0.765) 2.405 11.145 ( -8.252 -2.255 3.197) 9.133 11.160 ( -8.046 -3.256 2.139) 8.940 12.849 ( 9.591 11.902 7.361) 16.965 13.018 ( 6.402 -0.067 0.672) 6.437 13.086 ( -0.180 5.152 3.959) 6.500 13.119 ( 3.261 2.117 0.728) 3.955 14.322 ( 4.084 3.307 -0.253) 5.261 14.436 ( 3.548 -6.467 -5.846) 9.412 14.637 ( -8.666 -1.059 0.555) 8.748 14.722 ( -7.959 -7.588 -3.486) 11.536 ======================= Grid point 346 (120/140) ======================= q-point: (-0.50 0.43 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -9.608 5.978 0.260) 11.319 2.473 ( 9.608 5.978 0.260) 11.319 2.593 ( -8.526 -4.992 -1.466) 9.988 2.593 ( 8.526 -4.992 -1.466) 9.988 3.502 ( -2.698 14.606 2.427) 15.050 3.502 ( 2.698 14.606 2.427) 15.050 3.854 ( -0.961 -18.154 2.835) 18.399 3.854 ( 0.961 -18.154 2.835) 18.399 4.931 ( -3.427 13.124 2.594) 13.810 4.931 ( 3.427 13.124 2.594) 13.810 5.198 ( -5.423 -10.358 6.292) 13.277 5.198 ( 5.423 -10.358 6.292) 13.277 5.345 ( -4.549 7.209 -0.385) 8.533 5.345 ( 4.549 7.209 -0.385) 8.533 5.496 ( -0.852 -7.637 -3.532) 8.458 5.496 ( 0.852 -7.637 -3.532) 8.458 6.223 ( -4.843 2.271 5.629) 7.765 6.223 ( 4.843 2.271 5.629) 7.765 6.280 ( -6.357 -2.855 3.826) 7.950 6.280 ( 6.357 -2.855 3.826) 7.950 7.048 ( -4.027 10.275 -2.967) 11.427 7.048 ( 4.027 10.275 -2.967) 11.427 7.266 ( -4.536 -10.187 -2.811) 11.500 7.266 ( 4.536 -10.187 -2.811) 11.500 8.325 ( -0.836 9.343 -2.411) 9.685 8.325 ( 0.836 9.343 -2.411) 9.685 8.509 ( -1.850 -7.800 -0.489) 8.031 8.509 ( 1.850 -7.800 -0.489) 8.031 9.299 ( -0.872 3.925 -2.092) 4.533 9.299 ( 0.872 3.925 -2.092) 4.533 9.395 ( -1.952 -5.114 -2.696) 6.102 9.395 ( 1.952 -5.114 -2.696) 6.102 10.378 ( -2.002 4.217 -5.822) 7.462 10.378 ( 2.002 4.217 -5.822) 7.462 10.501 ( -1.999 -7.389 -4.907) 9.093 10.501 ( 1.999 -7.389 -4.907) 9.093 10.863 ( -1.252 9.799 2.083) 10.096 10.863 ( 1.252 9.799 2.083) 10.096 11.049 ( -0.956 -7.565 1.777) 7.830 11.049 ( 0.956 -7.565 1.777) 7.830 13.008 ( -5.848 10.084 5.869) 13.051 13.008 ( 5.848 10.084 5.869) 13.051 13.127 ( -2.412 0.356 1.072) 2.663 13.127 ( 2.412 0.356 1.072) 2.663 14.434 ( -6.210 2.853 -0.553) 6.856 14.434 ( 6.210 2.853 -0.553) 6.856 14.577 ( -5.427 -9.398 -4.465) 11.735 14.577 ( 5.427 -9.398 -4.465) 11.735 ======================= Grid point 378 (121/140) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 0.000 0.000 -3.267) 3.267 2.758 ( 0.000 0.000 3.267) 3.267 2.830 ( 0.000 0.000 -16.848) 16.848 2.830 ( 0.000 0.000 16.848) 16.848 3.191 ( 0.000 0.000 -11.996) 11.996 3.191 ( 0.000 0.000 11.996) 11.996 4.183 ( 0.000 0.000 -12.074) 12.074 4.183 ( 0.000 0.000 12.074) 12.074 4.362 ( 0.000 0.000 -2.784) 2.784 4.362 ( 0.000 0.000 2.784) 2.784 5.045 ( 0.000 0.000 -14.718) 14.718 5.045 ( 0.000 0.000 14.718) 14.718 5.051 ( 0.000 0.000 -5.321) 5.321 5.051 ( 0.000 0.000 5.321) 5.321 5.900 ( 0.000 0.000 -5.540) 5.540 5.900 ( 0.000 0.000 5.540) 5.540 6.378 ( 0.000 0.000 -22.052) 22.052 6.378 ( 0.000 0.000 22.052) 22.052 6.639 ( 0.000 0.000 -1.236) 1.236 6.639 ( 0.000 0.000 1.236) 1.236 6.749 ( 0.000 0.000 -3.339) 3.339 6.749 ( 0.000 0.000 3.339) 3.339 7.963 ( 0.000 0.000 -2.172) 2.172 7.963 ( 0.000 0.000 2.172) 2.172 8.089 ( 0.000 0.000 -8.703) 8.703 8.089 ( 0.000 0.000 8.703) 8.703 8.574 ( 0.000 0.000 -12.723) 12.723 8.574 ( 0.000 0.000 12.723) 12.723 8.697 ( 0.000 0.000 -1.318) 1.318 8.697 ( 0.000 0.000 1.318) 1.318 9.750 ( 0.000 0.000 -4.306) 4.306 9.750 ( 0.000 0.000 4.306) 4.306 9.927 ( 0.000 0.000 -0.699) 0.699 9.927 ( 0.000 0.000 0.699) 0.699 10.630 ( 0.000 0.000 -6.368) 6.368 10.630 ( 0.000 0.000 6.368) 6.368 10.975 ( 0.000 0.000 -3.811) 3.811 10.975 ( 0.000 0.000 3.811) 3.811 11.333 ( 0.000 0.000 -5.401) 5.401 11.333 ( 0.000 0.000 5.401) 5.401 12.289 ( 0.000 0.000 -8.264) 8.264 12.289 ( 0.000 0.000 8.264) 8.264 12.662 ( 0.000 0.000 -4.829) 4.829 12.662 ( 0.000 0.000 4.829) 4.829 14.457 ( 0.000 0.000 -14.264) 14.264 14.457 ( 0.000 0.000 14.264) 14.264 15.226 ( 0.000 0.000 -1.864) 1.864 15.226 ( 0.000 0.000 1.864) 1.864 ======================= Grid point 380 (122/140) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -13.327 0.000 -12.143) 18.029 2.567 ( -13.327 0.000 12.143) 18.029 2.848 ( 1.688 0.000 -15.633) 15.724 2.848 ( 1.688 0.000 15.633) 15.724 3.309 ( 4.847 0.000 -7.462) 8.898 3.309 ( 4.847 0.000 7.462) 8.898 4.223 ( 5.395 0.000 -9.543) 10.962 4.223 ( 5.395 0.000 9.543) 10.962 4.377 ( 1.409 0.000 -3.921) 4.166 4.377 ( 1.409 0.000 3.921) 4.166 5.042 ( -0.272 0.000 -13.602) 13.605 5.042 ( -0.272 0.000 13.602) 13.605 5.064 ( 1.444 0.000 -4.722) 4.937 5.064 ( 1.444 0.000 4.722) 4.937 5.908 ( 0.815 0.000 -5.454) 5.515 5.908 ( 0.815 0.000 5.454) 5.515 6.380 ( -0.015 0.000 -22.186) 22.186 6.380 ( -0.015 0.000 22.186) 22.186 6.629 ( -1.566 0.000 -2.411) 2.875 6.629 ( -1.566 0.000 2.411) 2.875 6.708 ( -3.618 0.000 -2.507) 4.401 6.708 ( -3.618 0.000 2.507) 4.401 7.855 ( -7.850 0.000 -9.647) 12.438 7.855 ( -7.850 0.000 9.647) 12.438 8.019 ( -5.992 0.000 -7.434) 9.549 8.019 ( -5.992 0.000 7.434) 9.549 8.673 ( 7.081 0.000 -11.078) 13.148 8.673 ( 7.081 0.000 11.078) 13.148 8.793 ( 8.325 0.000 -3.382) 8.986 8.793 ( 8.325 0.000 3.382) 8.986 9.753 ( 0.292 0.000 -3.884) 3.895 9.753 ( 0.292 0.000 3.884) 3.895 9.947 ( 1.901 0.000 -2.921) 3.486 9.947 ( 1.901 0.000 2.921) 3.486 10.569 ( -4.970 0.000 -4.823) 6.925 10.569 ( -4.970 0.000 4.823) 6.925 11.009 ( 2.639 0.000 -4.098) 4.874 11.009 ( 2.639 0.000 4.098) 4.874 11.313 ( -1.982 0.000 -5.158) 5.525 11.313 ( -1.982 0.000 5.158) 5.525 12.309 ( 1.874 0.000 -7.569) 7.798 12.309 ( 1.874 0.000 7.569) 7.798 12.656 ( -0.532 0.000 -4.529) 4.560 12.656 ( -0.532 0.000 4.529) 4.560 14.483 ( 2.548 0.000 -13.536) 13.773 14.483 ( 2.548 0.000 13.536) 13.773 15.192 ( -3.329 0.000 -2.495) 4.160 15.192 ( -3.329 0.000 2.495) 4.160 ======================= Grid point 382 (123/140) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -8.199 0.000 -14.149) 16.352 2.339 ( -8.199 0.000 14.149) 16.352 2.890 ( 2.294 0.000 -12.089) 12.305 2.890 ( 2.294 0.000 12.089) 12.305 3.251 ( -10.127 0.000 -5.106) 11.341 3.251 ( -10.127 0.000 5.106) 11.341 4.415 ( 2.265 0.000 -4.893) 5.392 4.415 ( 2.265 0.000 4.893) 5.392 4.437 ( 14.992 0.000 -3.729) 15.449 4.437 ( 14.992 0.000 3.729) 15.449 5.034 ( -0.463 0.000 -10.434) 10.444 5.034 ( -0.463 0.000 10.434) 10.444 5.106 ( 2.343 0.000 -3.059) 3.853 5.106 ( 2.343 0.000 3.059) 3.853 5.933 ( 1.801 0.000 -5.927) 6.195 5.933 ( 1.801 0.000 5.927) 6.195 6.362 ( -2.112 0.000 -20.033) 20.144 6.362 ( -2.112 0.000 20.033) 20.144 6.551 ( -6.472 0.000 -4.451) 7.855 6.551 ( -6.472 0.000 4.451) 7.855 6.639 ( -2.293 0.000 -2.083) 3.098 6.639 ( -2.293 0.000 2.083) 3.098 7.742 ( -2.523 0.000 -10.278) 10.583 7.742 ( -2.523 0.000 10.278) 10.583 7.885 ( -6.777 0.000 -6.543) 9.420 7.885 ( -6.777 0.000 6.543) 9.420 8.774 ( 2.130 0.000 -7.868) 8.152 8.774 ( 2.130 0.000 7.868) 8.152 8.978 ( 9.085 0.000 -4.896) 10.320 8.978 ( 9.085 0.000 4.896) 10.320 9.763 ( 0.736 0.000 -2.899) 2.991 9.763 ( 0.736 0.000 2.899) 2.991 10.000 ( 3.312 0.000 -4.210) 5.356 10.000 ( 3.312 0.000 4.210) 5.356 10.475 ( -3.669 0.000 -2.593) 4.493 10.475 ( -3.669 0.000 2.593) 4.493 11.056 ( 1.820 0.000 -3.333) 3.798 11.056 ( 1.820 0.000 3.333) 3.798 11.258 ( -3.325 0.000 -4.294) 5.431 11.258 ( -3.325 0.000 4.294) 5.431 12.356 ( 2.536 0.000 -5.717) 6.255 12.356 ( 2.536 0.000 5.717) 6.255 12.643 ( -0.729 0.000 -3.588) 3.661 12.643 ( -0.729 0.000 3.588) 3.661 14.553 ( 4.342 0.000 -11.676) 12.457 14.553 ( 4.342 0.000 11.676) 12.457 15.100 ( -5.607 0.000 -3.807) 6.778 15.100 ( -5.607 0.000 3.807) 6.778 ======================= Grid point 384 (124/140) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 0.089 0.000 -11.697) 11.697 2.261 ( 0.089 0.000 11.697) 11.697 2.931 ( 1.555 0.000 -6.609) 6.789 2.931 ( 1.555 0.000 6.609) 6.789 2.988 ( -13.553 0.000 -6.928) 15.221 2.988 ( -13.553 0.000 6.928) 15.221 4.459 ( 1.843 0.000 -3.585) 4.031 4.459 ( 1.843 0.000 3.585) 4.031 4.751 ( 14.727 0.000 -1.092) 14.767 4.751 ( 14.727 0.000 1.092) 14.767 5.025 ( -0.409 0.000 -5.673) 5.688 5.025 ( -0.409 0.000 5.673) 5.688 5.128 ( -0.980 0.000 -1.418) 1.724 5.128 ( -0.980 0.000 1.418) 1.724 5.988 ( 3.768 0.000 -6.358) 7.391 5.988 ( 3.768 0.000 6.358) 7.391 6.303 ( -3.024 0.000 -11.151) 11.554 6.303 ( -3.024 0.000 11.151) 11.554 6.386 ( -8.947 0.000 -5.656) 10.585 6.386 ( -8.947 0.000 5.656) 10.585 6.625 ( 0.386 0.000 -1.950) 1.988 6.625 ( 0.386 0.000 1.950) 1.988 7.745 ( 1.864 0.000 -6.012) 6.295 7.745 ( 1.864 0.000 6.012) 6.295 7.767 ( -4.495 0.000 -4.432) 6.312 7.767 ( -4.495 0.000 4.432) 6.312 8.765 ( -2.089 0.000 -4.215) 4.704 8.765 ( -2.089 0.000 4.215) 4.704 9.127 ( 5.363 0.000 -3.453) 6.379 9.127 ( 5.363 0.000 3.453) 6.379 9.778 ( 0.640 0.000 -1.612) 1.734 9.778 ( 0.640 0.000 1.612) 1.734 10.068 ( 3.023 0.000 -3.066) 4.306 10.068 ( 3.023 0.000 3.066) 4.306 10.430 ( -1.003 0.000 -1.079) 1.473 10.430 ( -1.003 0.000 1.079) 1.473 11.081 ( 0.700 0.000 -1.734) 1.870 11.081 ( 0.700 0.000 1.734) 1.870 11.191 ( -2.880 0.000 -2.561) 3.854 11.191 ( -2.880 0.000 2.561) 3.854 12.400 ( 1.729 0.000 -3.083) 3.535 12.400 ( 1.729 0.000 3.083) 3.535 12.630 ( -0.499 0.000 -2.004) 2.065 12.630 ( -0.499 0.000 2.004) 2.065 14.649 ( 4.852 0.000 -8.741) 9.997 14.649 ( 4.852 0.000 8.741) 9.997 14.981 ( -5.853 0.000 -4.725) 7.522 14.981 ( -5.853 0.000 4.725) 7.522 ======================= Grid point 386 (125/140) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 0.000 0.000 0.000) 0.000 2.285 ( 0.000 0.000 0.000) 0.000 2.823 ( -0.000 0.000 0.000) 0.000 2.823 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.948 ( -0.000 0.000 0.000) 0.000 4.948 ( -0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 6.052 ( -0.000 0.000 0.000) 0.000 6.052 ( 0.000 0.000 0.000) 0.000 6.265 ( -0.000 0.000 -0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.269 ( -0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 7.772 ( 0.000 0.000 0.000) 0.000 7.772 ( 0.000 0.000 0.000) 0.000 8.735 ( 0.000 0.000 0.000) 0.000 8.735 ( 0.000 0.000 0.000) 0.000 9.182 ( 0.000 0.000 0.000) 0.000 9.182 ( 0.000 0.000 0.000) 0.000 9.785 ( 0.000 0.000 0.000) 0.000 9.785 ( 0.000 0.000 0.000) 0.000 10.102 ( -0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 10.423 ( 0.000 0.000 0.000) 0.000 10.423 ( 0.000 0.000 0.000) 0.000 11.088 ( 0.000 0.000 0.000) 0.000 11.088 ( 0.000 0.000 0.000) 0.000 11.160 ( 0.000 0.000 0.000) 0.000 11.160 ( 0.000 0.000 0.000) 0.000 12.419 ( 0.000 0.000 0.000) 0.000 12.419 ( 0.000 0.000 0.000) 0.000 12.624 ( 0.000 0.000 0.000) 0.000 12.624 ( 0.000 0.000 0.000) 0.000 14.714 ( -0.000 0.000 0.000) 0.000 14.714 ( 0.000 0.000 0.000) 0.000 14.905 ( -0.000 0.000 0.000) 0.000 14.905 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 396 (126/140) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 0.000 -7.364 -3.959) 8.361 2.593 ( 0.000 -7.364 3.959) 8.361 3.023 ( 0.000 9.741 -8.125) 12.685 3.023 ( 0.000 9.741 8.125) 12.685 3.239 ( 0.000 4.499 -12.308) 13.104 3.239 ( 0.000 4.499 12.308) 13.104 4.141 ( 0.000 -3.418 -12.214) 12.683 4.141 ( 0.000 -3.418 12.214) 12.683 4.379 ( 0.000 -0.361 -5.422) 5.434 4.379 ( 0.000 -0.361 5.422) 5.434 4.868 ( 0.000 -4.997 -15.977) 16.741 4.868 ( 0.000 -4.997 15.977) 16.741 5.233 ( 0.000 7.034 -5.270) 8.789 5.233 ( 0.000 7.034 5.270) 8.789 5.895 ( 0.000 -0.527 -5.319) 5.345 5.895 ( 0.000 -0.527 5.319) 5.345 6.342 ( 0.000 -4.542 -22.020) 22.483 6.342 ( 0.000 -4.542 22.020) 22.483 6.450 ( 0.000 -7.580 -2.697) 8.046 6.450 ( 0.000 -7.580 2.697) 8.046 6.984 ( 0.000 12.840 -5.322) 13.899 6.984 ( 0.000 12.840 5.322) 13.899 7.805 ( 0.000 -10.522 -0.819) 10.554 7.805 ( 0.000 -10.522 0.819) 10.554 8.162 ( 0.000 3.285 -7.463) 8.154 8.162 ( 0.000 3.285 7.463) 8.154 8.549 ( 0.000 -1.882 -8.715) 8.916 8.549 ( 0.000 -1.882 8.715) 8.916 8.757 ( 0.000 4.849 -1.593) 5.104 8.757 ( 0.000 4.849 1.593) 5.104 9.615 ( 0.000 -9.167 -5.312) 10.595 9.615 ( 0.000 -9.167 5.312) 10.595 10.002 ( 0.000 4.426 -1.408) 4.644 10.002 ( 0.000 4.426 1.408) 4.644 10.687 ( 0.000 3.325 -4.318) 5.450 10.687 ( 0.000 3.325 4.318) 5.450 10.905 ( 0.000 -3.523 -2.634) 4.399 10.905 ( 0.000 -3.523 2.634) 4.399 11.437 ( 0.000 7.381 -4.444) 8.615 11.437 ( 0.000 7.381 4.444) 8.615 12.247 ( 0.000 -1.569 -8.486) 8.630 12.247 ( 0.000 -1.569 8.486) 8.630 12.780 ( 0.000 8.570 -4.433) 9.649 12.780 ( 0.000 8.570 4.433) 9.649 14.408 ( 0.000 -4.072 -13.289) 13.899 14.408 ( 0.000 -4.072 13.289) 13.899 15.193 ( 0.000 -3.097 -1.973) 3.672 15.193 ( 0.000 -3.097 1.973) 3.672 ======================= Grid point 398 (127/140) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -8.707 -4.591 -9.239) 13.500 2.494 ( -8.707 -4.591 9.239) 13.500 2.952 ( -2.555 7.484 -13.132) 15.329 2.952 ( -2.555 7.484 13.132) 15.329 3.346 ( 3.661 3.054 -7.068) 8.526 3.346 ( 3.661 3.054 7.068) 8.526 4.176 ( 4.798 -3.047 -9.616) 11.170 4.176 ( 4.798 -3.047 9.616) 11.170 4.412 ( 3.192 0.261 -6.229) 7.004 4.412 ( 3.192 0.261 6.229) 7.004 4.869 ( 0.142 -4.850 -14.857) 15.629 4.869 ( 0.142 -4.850 14.857) 15.629 5.238 ( 0.678 6.863 -5.235) 8.658 5.238 ( 0.678 6.863 5.235) 8.658 5.896 ( 0.150 -1.262 -4.831) 4.995 5.896 ( 0.150 -1.262 4.831) 4.995 6.331 ( -1.072 -5.361 -19.049) 19.818 6.331 ( -1.072 -5.361 19.049) 19.818 6.469 ( 1.458 -5.561 -6.095) 8.379 6.469 ( 1.458 -5.561 6.095) 8.379 6.922 ( -5.954 11.310 -4.850) 13.671 6.922 ( -5.954 11.310 4.850) 13.671 7.744 ( -4.646 -8.091 -5.171) 10.667 7.744 ( -4.646 -8.091 5.171) 10.667 8.075 ( -6.814 3.451 -8.315) 11.291 8.075 ( -6.814 3.451 8.315) 11.291 8.649 ( 7.403 -2.017 -7.848) 10.975 8.649 ( 7.403 -2.017 7.848) 10.975 8.838 ( 6.975 3.710 -1.903) 8.127 8.838 ( 6.975 3.710 1.903) 8.127 9.616 ( 0.136 -9.386 -4.366) 10.353 9.616 ( 0.136 -9.386 4.366) 10.353 10.021 ( 1.926 4.451 -0.629) 4.891 10.021 ( 1.926 4.451 0.629) 4.891 10.626 ( -4.930 3.793 -3.563) 7.169 10.626 ( -4.930 3.793 3.563) 7.169 10.930 ( 1.614 -4.569 -4.053) 6.317 10.930 ( 1.614 -4.569 4.053) 6.317 11.406 ( -2.964 6.135 -3.793) 7.798 11.406 ( -2.964 6.135 3.793) 7.798 12.287 ( 3.802 0.146 -7.498) 8.408 12.287 ( 3.802 0.146 7.498) 8.408 12.780 ( -0.119 9.189 -4.447) 10.209 12.780 ( -0.119 9.189 4.447) 10.209 14.432 ( 2.268 -4.403 -12.714) 13.645 14.432 ( 2.268 -4.403 12.714) 13.645 15.157 ( -3.496 -3.256 -2.562) 5.421 15.157 ( -3.496 -3.256 2.562) 5.421 ======================= Grid point 400 (128/140) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -6.486 -0.944 -12.044) 13.712 2.324 ( -6.486 -0.944 12.044) 13.712 2.933 ( -0.522 3.547 -10.496) 11.092 2.933 ( -0.522 3.547 10.496) 11.092 3.280 ( -9.044 2.549 -5.234) 10.755 3.280 ( -9.044 2.549 5.234) 10.755 4.340 ( 9.406 -2.942 -2.236) 10.105 4.340 ( 9.406 -2.942 2.236) 10.105 4.511 ( 7.132 0.003 -4.197) 8.275 4.511 ( 7.132 0.003 4.197) 8.275 4.878 ( 0.984 -3.631 -11.872) 12.453 4.878 ( 0.984 -3.631 11.872) 12.453 5.266 ( 1.914 6.887 -4.270) 8.327 5.266 ( 1.914 6.887 4.270) 8.327 5.900 ( 0.285 -3.414 -5.017) 6.075 5.900 ( 0.285 -3.414 5.017) 6.075 6.299 ( -2.001 -4.939 -13.597) 14.604 6.299 ( -2.001 -4.939 13.597) 14.604 6.483 ( -0.860 -2.560 -8.368) 8.793 6.483 ( -0.860 -2.560 8.368) 8.793 6.775 ( -7.341 8.255 -3.457) 11.576 6.775 ( -7.341 8.255 3.457) 11.576 7.671 ( -2.234 -5.531 -6.975) 9.178 7.671 ( -2.234 -5.531 6.975) 9.178 7.943 ( -5.463 4.562 -5.975) 9.292 7.943 ( -5.463 4.562 5.975) 9.292 8.759 ( 2.471 -1.505 -6.818) 7.407 8.759 ( 2.471 -1.505 6.818) 7.407 8.997 ( 8.154 1.775 -3.187) 8.933 8.997 ( 8.154 1.775 3.187) 8.933 9.626 ( 0.939 -9.508 -2.316) 9.831 9.626 ( 0.939 -9.508 2.316) 9.831 10.078 ( 3.641 4.582 -0.814) 5.909 10.078 ( 3.641 4.582 0.814) 5.909 10.531 ( -3.857 4.371 -1.959) 6.149 10.531 ( -3.857 4.371 1.959) 6.149 10.946 ( -0.268 -6.920 -3.452) 7.739 10.946 ( -0.268 -6.920 3.452) 7.739 11.330 ( -4.217 3.665 -2.397) 6.080 11.330 ( -4.217 3.665 2.397) 6.080 12.387 ( 5.816 4.115 -5.550) 9.031 12.387 ( 5.816 4.115 5.550) 9.031 12.769 ( -1.059 10.105 -4.349) 11.052 12.769 ( -1.059 10.105 4.349) 11.052 14.496 ( 4.099 -5.029 -11.170) 12.918 14.496 ( 4.099 -5.029 11.170) 12.918 15.060 ( -5.906 -3.702 -3.819) 7.948 15.060 ( -5.906 -3.702 3.819) 7.948 ======================= Grid point 402 (129/140) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 1.066 1.020 -10.449) 10.553 2.270 ( 1.066 1.020 10.449) 10.553 2.864 ( -7.820 -2.754 -5.088) 9.728 2.864 ( -7.820 -2.754 5.088) 9.728 3.107 ( -4.863 7.386 -5.843) 10.600 3.107 ( -4.863 7.386 5.843) 10.600 4.476 ( 4.239 1.372 -4.725) 6.494 4.476 ( 4.239 1.372 4.725) 6.494 4.663 ( 5.387 -11.538 -0.416) 12.740 4.663 ( 5.387 -11.538 0.416) 12.740 4.936 ( 5.397 3.196 -6.683) 9.165 4.936 ( 5.397 3.196 6.683) 9.165 5.294 ( 0.303 7.518 -2.473) 7.921 5.294 ( 0.303 7.518 2.473) 7.921 5.911 ( 0.794 -7.236 -4.933) 8.793 5.911 ( 0.794 -7.236 4.933) 8.793 6.262 ( -1.253 -2.189 -6.497) 6.970 6.262 ( -1.253 -2.189 6.497) 6.970 6.407 ( -6.122 0.665 -6.619) 9.041 6.407 ( -6.122 0.665 6.619) 9.041 6.685 ( -1.458 5.364 -1.685) 5.808 6.685 ( -1.458 5.364 1.685) 5.808 7.634 ( -1.911 -6.460 -3.923) 7.796 7.634 ( -1.911 -6.460 3.923) 7.796 7.885 ( -0.330 7.001 -1.348) 7.137 7.885 ( -0.330 7.001 1.348) 7.137 8.751 ( -2.248 -1.486 -3.913) 4.751 8.751 ( -2.248 -1.486 3.913) 4.751 9.136 ( 5.210 0.911 -2.626) 5.905 9.136 ( 5.210 0.911 2.626) 5.905 9.649 ( 1.105 -8.869 -0.667) 8.962 9.649 ( 1.105 -8.869 0.667) 8.962 10.155 ( 3.497 4.751 -1.124) 6.006 10.155 ( 3.497 4.751 1.124) 6.006 10.483 ( -1.064 5.007 -0.758) 5.174 10.483 ( -1.064 5.007 0.758) 5.174 10.920 ( -1.946 -9.913 -1.729) 10.249 10.920 ( -1.946 -9.913 1.729) 10.249 11.256 ( -2.805 1.709 -1.018) 3.439 11.256 ( -2.805 1.709 1.018) 3.439 12.505 ( 5.563 8.942 -3.828) 11.205 12.505 ( 5.563 8.942 3.828) 11.205 12.734 ( -2.440 9.412 -3.759) 10.424 12.734 ( -2.440 9.412 3.759) 10.424 14.589 ( 4.858 -5.329 -8.510) 11.154 14.589 ( 4.858 -5.329 8.510) 11.154 14.934 ( -6.183 -4.324 -4.702) 8.890 14.934 ( -6.183 -4.324 4.702) 8.890 ======================= Grid point 404 (130/140) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 0.000 2.247 0.000) 2.247 2.309 ( 0.000 2.247 0.000) 2.247 2.737 ( -0.000 -4.602 0.000) 4.602 2.737 ( 0.000 -4.602 0.000) 4.602 3.074 ( -0.000 8.327 0.000) 8.327 3.074 ( 0.000 8.327 0.000) 8.327 4.519 ( 0.000 4.271 -0.000) 4.271 4.519 ( 0.000 4.271 0.000) 4.271 4.706 ( -0.000 -18.056 0.000) 18.056 4.706 ( 0.000 -18.056 0.000) 18.056 5.022 ( -0.000 6.367 0.000) 6.367 5.022 ( 0.000 6.367 0.000) 6.367 5.285 ( 0.000 8.108 0.000) 8.108 5.285 ( 0.000 8.108 0.000) 8.108 5.923 ( -0.000 -10.163 0.000) 10.163 5.923 ( 0.000 -10.163 0.000) 10.163 6.260 ( -0.000 -0.328 0.000) 0.328 6.260 ( 0.000 -0.328 0.000) 0.328 6.317 ( -0.000 2.608 -0.000) 2.608 6.317 ( 0.000 2.608 -0.000) 2.608 6.678 ( 0.000 4.339 0.000) 4.339 6.678 ( 0.000 4.339 0.000) 4.339 7.610 ( 0.000 -6.885 0.000) 6.885 7.610 ( 0.000 -6.885 0.000) 6.885 7.892 ( 0.000 7.735 0.000) 7.735 7.892 ( 0.000 7.735 0.000) 7.735 8.719 ( 0.000 -1.742 -0.000) 1.742 8.719 ( 0.000 -1.742 0.000) 1.742 9.190 ( 0.000 0.824 0.000) 0.824 9.190 ( 0.000 0.824 0.000) 0.824 9.661 ( 0.000 -8.436 0.000) 8.436 9.661 ( 0.000 -8.436 0.000) 8.436 10.194 ( 0.000 4.733 0.000) 4.733 10.194 ( 0.000 4.733 0.000) 4.733 10.476 ( 0.000 5.917 0.000) 5.917 10.476 ( 0.000 5.917 0.000) 5.917 10.894 ( 0.000 -11.856 0.000) 11.856 10.894 ( 0.000 -11.856 0.000) 11.856 11.227 ( 0.000 0.998 0.000) 0.998 11.227 ( 0.000 0.998 0.000) 0.998 12.578 ( 0.000 13.514 0.000) 13.514 12.578 ( -0.000 13.514 0.000) 13.514 12.694 ( -0.000 6.385 0.000) 6.385 12.694 ( 0.000 6.385 0.000) 6.385 14.656 ( -0.000 -5.238 0.000) 5.238 14.656 ( 0.000 -5.238 0.000) 5.238 14.853 ( -0.000 -4.754 0.000) 4.754 14.853 ( 0.000 -4.754 0.000) 4.754 ======================= Grid point 414 (131/140) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 0.000 -2.455 -2.077) 3.215 2.489 ( 0.000 -2.455 2.077) 3.215 3.168 ( 0.000 3.020 -6.284) 6.972 3.168 ( 0.000 3.020 6.284) 6.972 3.384 ( 0.000 9.247 -12.616) 15.642 3.384 ( 0.000 9.247 12.616) 15.642 4.068 ( 0.000 -3.262 -9.324) 9.878 4.068 ( 0.000 -3.262 9.324) 9.878 4.275 ( 0.000 -8.272 -1.315) 8.376 4.275 ( 0.000 -8.272 1.315) 8.376 4.905 ( 0.000 7.494 -9.705) 12.261 4.905 ( 0.000 7.494 9.705) 12.261 5.327 ( 0.000 1.463 -3.311) 3.620 5.327 ( 0.000 1.463 3.311) 3.620 5.877 ( 0.000 -1.082 -4.565) 4.691 5.877 ( 0.000 -1.082 4.565) 4.691 6.200 ( 0.000 -6.451 -6.425) 9.104 6.200 ( 0.000 -6.451 6.425) 9.104 6.360 ( 0.000 -2.908 -6.553) 7.169 6.360 ( 0.000 -2.908 6.553) 7.169 7.225 ( 0.000 9.337 -5.210) 10.692 7.225 ( 0.000 9.337 5.210) 10.692 7.588 ( 0.000 -9.117 -1.951) 9.323 7.588 ( 0.000 -9.117 1.951) 9.323 8.214 ( 0.000 2.105 -7.205) 7.506 8.214 ( 0.000 2.105 7.205) 7.506 8.501 ( 0.000 -2.598 -5.175) 5.791 8.501 ( 0.000 -2.598 5.175) 5.791 8.876 ( 0.000 5.887 -3.252) 6.725 8.876 ( 0.000 5.887 3.252) 6.725 9.426 ( 0.000 -8.272 -6.455) 10.492 9.426 ( 0.000 -8.272 6.455) 10.492 10.086 ( 0.000 3.357 -2.762) 4.347 10.086 ( 0.000 3.357 2.762) 4.347 10.683 ( 0.000 -2.666 -2.892) 3.934 10.683 ( 0.000 -2.666 2.892) 3.934 10.923 ( 0.000 3.971 -2.102) 4.493 10.923 ( 0.000 3.971 2.102) 4.493 11.557 ( 0.000 2.684 -2.440) 3.628 11.557 ( 0.000 2.684 2.440) 3.628 12.305 ( 0.000 7.922 -10.006) 12.763 12.305 ( 0.000 7.922 10.006) 12.763 12.921 ( 0.000 2.794 -0.740) 2.890 12.921 ( 0.000 2.794 0.740) 2.890 14.321 ( 0.000 -3.080 -9.241) 9.741 14.321 ( 0.000 -3.080 9.241) 9.741 15.105 ( 0.000 -4.851 -1.978) 5.239 15.105 ( 0.000 -4.851 1.978) 5.239 ======================= Grid point 416 (132/140) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -5.430 -1.369 -5.330) 7.731 2.427 ( -5.430 -1.369 5.330) 7.731 3.098 ( -4.415 4.983 -8.090) 10.478 3.098 ( -4.415 4.983 8.090) 10.478 3.425 ( 0.494 4.933 -7.767) 9.214 3.425 ( 0.494 4.933 7.767) 9.214 4.106 ( 3.808 -4.975 -7.587) 9.840 4.106 ( 3.808 -4.975 7.587) 9.840 4.324 ( 5.233 -5.507 -3.896) 8.538 4.324 ( 5.233 -5.507 3.896) 8.538 4.919 ( 1.381 8.047 -8.824) 12.022 4.919 ( 1.381 8.047 8.824) 12.022 5.330 ( 0.646 1.696 -3.532) 3.970 5.330 ( 0.646 1.696 3.532) 3.970 5.847 ( -2.754 -3.448 -3.364) 5.549 5.847 ( -2.754 -3.448 3.364) 5.549 6.199 ( 0.181 -5.342 -8.598) 10.124 6.199 ( 0.181 -5.342 8.598) 10.124 6.399 ( 3.029 -2.277 -9.269) 10.014 6.399 ( 3.029 -2.277 9.269) 10.014 7.133 ( -8.325 8.293 -5.329) 12.903 7.133 ( -8.325 8.293 5.329) 12.903 7.569 ( -1.484 -7.701 -2.270) 8.164 7.569 ( -1.484 -7.701 2.270) 8.164 8.148 ( -5.153 3.559 -7.268) 9.594 8.148 ( -5.153 3.559 7.268) 9.594 8.593 ( 7.148 -3.130 -4.473) 8.995 8.593 ( 7.148 -3.130 4.473) 8.995 8.933 ( 5.069 4.981 -3.125) 7.763 8.933 ( 5.069 4.981 3.125) 7.763 9.422 ( -0.233 -8.476 -5.785) 10.265 9.422 ( -0.233 -8.476 5.785) 10.265 10.105 ( 1.904 3.349 -2.415) 4.547 10.105 ( 1.904 3.349 2.415) 4.547 10.659 ( -2.244 -0.815 -2.788) 3.670 10.659 ( -2.244 -0.815 2.788) 3.670 10.898 ( -2.258 1.484 -3.722) 4.599 10.898 ( -2.258 1.484 3.722) 4.599 11.498 ( -5.350 1.914 -1.604) 5.904 11.498 ( -5.350 1.914 1.604) 5.904 12.379 ( 6.812 8.868 -9.079) 14.403 12.379 ( 6.812 8.868 9.079) 14.403 12.944 ( 1.998 4.335 -1.341) 4.958 12.944 ( 1.998 4.335 1.341) 4.958 14.333 ( 1.175 -3.843 -9.107) 9.955 14.333 ( 1.175 -3.843 9.107) 9.955 15.064 ( -3.971 -5.136 -2.444) 6.937 15.064 ( -3.971 -5.136 2.444) 6.937 ======================= Grid point 418 (133/140) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -3.961 0.707 -7.629) 8.625 2.320 ( -3.961 0.707 7.629) 8.625 3.006 ( -5.935 2.333 -6.231) 8.915 3.006 ( -5.935 2.333 6.231) 8.915 3.361 ( -5.396 5.809 -6.022) 9.957 3.361 ( -5.396 5.809 6.022) 9.957 4.196 ( 4.393 -12.827 -5.219) 14.529 4.196 ( 4.393 -12.827 5.219) 14.529 4.483 ( 9.424 2.089 -6.458) 11.614 4.483 ( 9.424 2.089 6.458) 11.614 4.964 ( 3.500 8.809 -6.798) 11.665 4.964 ( 3.500 8.809 6.798) 11.665 5.361 ( 2.293 2.110 -3.369) 4.589 5.361 ( 2.293 2.110 3.369) 4.589 5.777 ( -3.981 -8.018 -3.272) 9.531 5.777 ( -3.981 -8.018 3.272) 9.531 6.212 ( 0.972 -2.730 -6.995) 7.572 6.212 ( 0.972 -2.730 6.995) 7.572 6.442 ( 0.443 -1.610 -9.113) 9.265 6.442 ( 0.443 -1.610 9.113) 9.265 6.949 ( -8.507 8.007 -5.038) 12.722 6.949 ( -8.507 8.007 5.038) 12.722 7.533 ( -2.312 -7.226 -5.410) 9.319 7.533 ( -2.312 -7.226 5.410) 9.319 8.059 ( -2.718 6.069 -4.432) 7.992 8.059 ( -2.718 6.069 4.432) 7.992 8.707 ( 2.739 -3.336 -4.377) 6.147 8.707 ( 2.739 -3.336 4.377) 6.147 9.052 ( 6.388 3.404 -1.158) 7.330 9.052 ( 6.388 3.404 1.158) 7.330 9.430 ( 1.361 -8.472 -4.033) 9.481 9.430 ( 1.361 -8.472 4.033) 9.481 10.159 ( 3.296 3.012 -1.679) 4.770 10.159 ( 3.296 3.012 1.679) 4.770 10.607 ( -2.326 1.782 -1.818) 3.448 10.607 ( -2.326 1.782 1.818) 3.448 10.841 ( -3.385 -2.218 -4.137) 5.787 10.841 ( -3.385 -2.218 4.137) 5.787 11.368 ( -6.958 0.123 -0.623) 6.987 11.368 ( -6.958 0.123 0.623) 6.987 12.548 ( 9.391 10.642 -7.830) 16.210 12.548 ( 9.391 10.642 7.830) 16.210 12.981 ( 1.211 7.904 -2.757) 8.458 12.981 ( 1.211 7.904 2.757) 8.458 14.373 ( 2.918 -5.574 -8.616) 10.669 14.373 ( 2.918 -5.574 8.616) 10.669 14.953 ( -6.775 -5.957 -3.506) 9.679 14.953 ( -6.775 -5.957 3.506) 9.679 ======================= Grid point 420 (134/140) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 2.885 2.345 -7.310) 8.201 2.307 ( 2.885 2.345 7.310) 8.201 2.823 ( -11.607 -1.518 -4.403) 12.506 2.823 ( -11.607 -1.518 4.403) 12.506 3.282 ( -1.943 9.533 -5.046) 10.960 3.282 ( -1.943 9.533 5.046) 10.960 4.269 ( 2.743 -18.223 -3.412) 18.742 4.269 ( 2.743 -18.223 3.412) 18.742 4.634 ( 4.642 7.962 -3.733) 9.944 4.634 ( 4.642 7.962 3.733) 9.944 5.077 ( 7.431 7.881 -4.024) 11.555 5.077 ( 7.431 7.881 4.024) 11.555 5.399 ( 0.595 2.385 -2.288) 3.358 5.399 ( 0.595 2.385 2.288) 3.358 5.701 ( -3.110 -11.797 -2.349) 12.424 5.701 ( -3.110 -11.797 2.349) 12.424 6.236 ( 1.434 -0.356 -3.894) 4.165 6.236 ( 1.434 -0.356 3.894) 4.165 6.403 ( -3.846 -0.891 -6.301) 7.435 6.403 ( -3.846 -0.891 6.301) 7.435 6.835 ( -2.729 8.425 -3.379) 9.478 6.835 ( -2.729 8.425 3.379) 9.478 7.476 ( -2.968 -8.432 -4.769) 10.131 7.476 ( -2.968 -8.432 4.769) 10.131 8.054 ( 1.697 8.639 -1.341) 8.905 8.054 ( 1.697 8.639 1.341) 8.905 8.694 ( -2.978 -4.000 -2.916) 5.777 8.694 ( -2.978 -4.000 2.916) 5.777 9.170 ( 4.729 2.300 -0.755) 5.312 9.170 ( 4.729 2.300 0.755) 5.312 9.470 ( 2.102 -7.557 -2.062) 8.110 9.470 ( 2.102 -7.557 2.062) 8.110 10.224 ( 2.788 2.303 -1.068) 3.771 10.224 ( 2.788 2.303 1.068) 3.771 10.590 ( 1.126 1.399 -0.478) 1.858 10.590 ( 1.126 1.399 0.478) 1.858 10.760 ( -4.770 -1.984 -2.862) 5.907 10.760 ( -4.770 -1.984 2.862) 5.907 11.243 ( -4.909 -2.414 -0.427) 5.487 11.243 ( -4.909 -2.414 0.427) 5.487 12.735 ( 8.818 11.957 -6.852) 16.361 12.735 ( 8.818 11.957 6.852) 16.361 12.974 ( -2.182 11.314 -4.382) 12.328 12.974 ( -2.182 11.314 4.382) 12.328 14.450 ( 4.617 -6.823 -7.170) 10.921 14.450 ( 4.617 -6.823 7.170) 10.921 14.807 ( -7.235 -7.193 -4.350) 11.091 14.807 ( -7.235 -7.193 4.350) 11.091 ======================= Grid point 422 (135/140) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -0.000 4.142 0.000) 4.142 2.377 ( 0.000 4.142 0.000) 4.142 2.656 ( -0.000 -3.390 0.000) 3.390 2.656 ( 0.000 -3.390 0.000) 3.390 3.267 ( -0.000 10.229 0.000) 10.229 3.267 ( 0.000 10.229 0.000) 10.229 4.298 ( 0.000 -20.036 0.000) 20.036 4.298 ( 0.000 -20.036 0.000) 20.036 4.675 ( 0.000 10.521 0.000) 10.521 4.675 ( 0.000 10.521 0.000) 10.521 5.183 ( -0.000 8.164 0.000) 8.164 5.183 ( 0.000 8.164 0.000) 8.164 5.386 ( 0.000 0.924 0.000) 0.924 5.386 ( 0.000 0.924 0.000) 0.924 5.670 ( -0.000 -12.819 0.000) 12.819 5.670 ( 0.000 -12.819 0.000) 12.819 6.260 ( -0.000 0.467 0.000) 0.467 6.260 ( 0.000 0.467 0.000) 0.467 6.344 ( -0.000 -0.093 -0.000) 0.093 6.344 ( 0.000 -0.093 0.000) 0.093 6.814 ( -0.000 8.307 -0.000) 8.307 6.814 ( 0.000 8.307 0.000) 8.307 7.441 ( 0.000 -9.022 0.000) 9.022 7.441 ( 0.000 -9.022 0.000) 9.022 8.082 ( 0.000 10.022 0.000) 10.022 8.082 ( 0.000 10.022 0.000) 10.022 8.651 ( 0.000 -4.949 -0.000) 4.949 8.651 ( 0.000 -4.949 0.000) 4.949 9.220 ( 0.000 2.060 0.000) 2.060 9.220 ( 0.000 2.060 0.000) 2.060 9.494 ( 0.000 -6.955 0.000) 6.955 9.494 ( 0.000 -6.955 0.000) 6.955 10.254 ( -0.000 1.986 0.000) 1.986 10.254 ( 0.000 1.986 0.000) 1.986 10.648 ( -0.000 -10.836 0.000) 10.836 10.648 ( 0.000 -10.836 0.000) 10.836 10.665 ( -0.000 10.612 -0.000) 10.612 10.665 ( 0.000 10.612 -0.000) 10.612 11.191 ( 0.000 -3.987 0.000) 3.987 11.191 ( 0.000 -3.987 0.000) 3.987 12.876 ( -0.000 10.075 -0.000) 10.075 12.876 ( 0.000 10.075 -0.000) 10.075 12.902 ( -0.000 14.994 0.000) 14.994 12.902 ( 0.000 14.994 0.000) 14.994 14.519 ( -0.000 -6.656 0.000) 6.656 14.519 ( 0.000 -6.656 0.000) 6.656 14.711 ( -0.000 -8.335 0.000) 8.335 14.711 ( 0.000 -8.335 0.000) 8.335 ======================= Grid point 432 (136/140) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 0.000 0.250 -0.338) 0.421 2.473 ( 0.000 0.250 0.338) 0.421 3.171 ( 0.000 -1.117 -2.083) 2.364 3.171 ( 0.000 -1.117 2.083) 2.364 3.602 ( 0.000 9.836 -8.188) 12.798 3.602 ( 0.000 9.836 8.188) 12.798 3.946 ( 0.000 -8.349 -4.785) 9.623 3.946 ( 0.000 -8.349 4.785) 9.623 4.158 ( 0.000 -1.478 -4.416) 4.657 4.158 ( 0.000 -1.478 4.416) 4.657 5.100 ( 0.000 9.175 -1.417) 9.283 5.100 ( 0.000 9.175 1.417) 9.283 5.288 ( 0.000 -4.786 -2.252) 5.289 5.288 ( 0.000 -4.786 2.252) 5.289 5.855 ( 0.000 -0.717 -2.101) 2.220 5.855 ( 0.000 -0.717 2.101) 2.220 6.108 ( 0.000 -2.190 -0.969) 2.394 6.108 ( 0.000 -2.190 0.969) 2.394 6.309 ( 0.000 -1.475 -3.595) 3.886 6.309 ( 0.000 -1.475 3.595) 3.886 7.362 ( 0.000 3.415 -2.549) 4.262 7.362 ( 0.000 3.415 2.549) 4.262 7.449 ( 0.000 -3.591 -1.409) 3.857 7.449 ( 0.000 -3.591 1.409) 3.857 8.260 ( 0.000 1.822 -3.204) 3.686 8.260 ( 0.000 1.822 3.204) 3.686 8.446 ( 0.000 -2.032 -1.720) 2.662 8.446 ( 0.000 -2.032 1.720) 2.662 8.987 ( 0.000 3.848 -2.846) 4.786 8.987 ( 0.000 3.848 2.846) 4.786 9.281 ( 0.000 -4.677 -4.275) 6.336 9.281 ( 0.000 -4.677 4.275) 6.336 10.138 ( 0.000 1.370 -1.690) 2.176 10.138 ( 0.000 1.370 1.690) 2.176 10.638 ( 0.000 -1.134 -2.260) 2.528 10.638 ( 0.000 -1.134 2.260) 2.528 10.998 ( 0.000 2.255 -1.282) 2.594 10.998 ( 0.000 2.255 1.282) 2.594 11.563 ( 0.000 -0.763 -0.625) 0.987 11.563 ( 0.000 -0.763 0.625) 0.987 12.546 ( 0.000 12.400 -8.872) 15.247 12.546 ( 0.000 12.400 8.872) 15.247 12.860 ( 0.000 -7.544 -4.924) 9.009 12.860 ( 0.000 -7.544 4.924) 9.009 14.298 ( 0.000 0.251 -2.777) 2.789 14.298 ( 0.000 0.251 2.777) 2.789 15.014 ( 0.000 -2.820 -0.992) 2.990 15.014 ( 0.000 -2.820 0.992) 2.990 ======================= Grid point 434 (137/140) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -4.211 0.506 -1.722) 4.578 2.425 ( -4.212 0.506 1.722) 4.578 3.136 ( -3.555 -0.311 -2.402) 4.302 3.136 ( -3.555 -0.311 2.402) 4.302 3.579 ( -1.786 8.511 -6.971) 11.145 3.579 ( -1.786 8.511 6.971) 11.145 3.921 ( -2.043 -9.962 -3.284) 10.686 3.921 ( -2.043 -9.962 3.284) 10.686 4.288 ( 11.522 0.564 -3.557) 12.072 4.288 ( 11.522 0.564 3.557) 12.072 5.119 ( 1.766 9.072 -1.639) 9.387 5.119 ( 1.766 9.072 1.639) 9.387 5.303 ( 1.545 -4.169 -1.820) 4.805 5.303 ( 1.545 -4.169 1.820) 4.805 5.771 ( -7.228 -2.662 -1.387) 7.826 5.771 ( -7.228 -2.662 1.387) 7.826 6.128 ( 2.025 -1.489 -2.709) 3.696 6.128 ( 2.025 -1.489 2.709) 3.696 6.362 ( 3.905 -1.013 -4.114) 5.762 6.362 ( 3.905 -1.013 4.114) 5.762 7.265 ( -8.115 4.053 -3.297) 9.651 7.265 ( -8.115 4.053 3.297) 9.651 7.438 ( -1.345 -4.163 -1.623) 4.666 7.438 ( -1.345 -4.163 1.623) 4.666 8.219 ( -3.241 2.486 -2.932) 5.029 8.219 ( -3.241 2.486 2.932) 5.029 8.529 ( 6.674 -2.239 -1.450) 7.187 8.529 ( 6.674 -2.239 1.450) 7.187 9.034 ( 4.268 3.838 -3.034) 6.492 9.034 ( 4.268 3.838 3.034) 6.493 9.272 ( -0.655 -5.017 -4.275) 6.624 9.272 ( -0.655 -5.017 4.275) 6.624 10.157 ( 1.804 1.359 -1.558) 2.744 10.157 ( 1.804 1.359 1.558) 2.744 10.635 ( -0.374 -0.743 -2.091) 2.251 10.635 ( -0.374 -0.743 2.091) 2.251 10.939 ( -5.210 1.409 -1.522) 5.608 10.939 ( -5.210 1.409 1.522) 5.608 11.503 ( -5.621 -0.480 -0.363) 5.653 11.503 ( -5.621 -0.480 0.363) 5.653 12.620 ( 6.805 11.580 -8.147) 15.709 12.620 ( 6.805 11.580 8.147) 15.709 12.918 ( 5.291 -5.967 -4.156) 8.993 12.918 ( 5.291 -5.967 4.156) 8.993 14.295 ( -0.159 -0.123 -2.816) 2.823 14.295 ( -0.159 -0.123 2.816) 2.823 14.967 ( -4.554 -3.025 -1.199) 5.597 14.967 ( -4.554 -3.025 1.199) 5.597 ======================= Grid point 436 (138/140) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -2.687 1.061 -2.660) 3.927 2.345 ( -2.687 1.061 2.660) 3.927 3.017 ( -8.673 -0.494 -1.983) 8.910 3.017 ( -8.673 -0.494 1.983) 8.910 3.545 ( -1.425 10.821 -4.568) 11.832 3.545 ( -1.425 10.821 4.568) 11.832 3.885 ( -1.126 -14.208 -1.483) 14.329 3.885 ( -1.126 -14.208 1.483) 14.329 4.559 ( 14.380 3.002 -2.976) 14.988 4.559 ( 14.380 3.002 2.976) 14.988 5.167 ( 2.957 9.231 -1.971) 9.891 5.167 ( 2.957 9.231 1.971) 9.891 5.350 ( 2.836 -3.570 -0.774) 4.624 5.350 ( 2.836 -3.570 0.774) 4.624 5.609 ( -8.197 -5.737 -1.538) 10.123 5.609 ( -8.197 -5.737 1.538) 10.123 6.180 ( 2.902 -0.543 -2.294) 3.739 6.180 ( 2.902 -0.543 2.294) 3.739 6.416 ( 0.630 -0.728 -3.682) 3.806 6.416 ( 0.630 -0.728 3.682) 3.806 7.102 ( -6.823 5.647 -3.895) 9.676 7.102 ( -6.823 5.647 3.895) 9.676 7.387 ( -3.912 -5.548 -3.864) 7.811 7.387 ( -3.912 -5.548 3.864) 7.811 8.173 ( -0.374 3.652 -1.606) 4.007 8.173 ( -0.374 3.652 1.606) 4.007 8.635 ( 2.227 -2.562 -1.511) 3.716 8.635 ( 2.227 -2.562 1.511) 3.716 9.136 ( 5.395 4.175 -2.623) 7.309 9.136 ( 5.395 4.175 2.623) 7.309 9.276 ( 1.706 -5.790 -3.982) 7.231 9.276 ( 1.706 -5.790 3.982) 7.231 10.205 ( 2.871 1.213 -1.283) 3.370 10.205 ( 2.871 1.213 1.283) 3.370 10.610 ( -2.762 -0.537 -1.496) 3.187 10.610 ( -2.762 -0.537 1.496) 3.187 10.837 ( -3.451 0.639 -1.447) 3.796 10.837 ( -3.451 0.639 1.447) 3.796 11.357 ( -8.524 -0.616 -0.222) 8.549 11.357 ( -8.524 -0.616 0.222) 8.549 12.789 ( 9.366 10.084 -6.682) 15.299 12.789 ( 9.366 10.084 6.682) 15.299 13.041 ( 6.059 -2.182 -2.152) 6.790 13.041 ( 6.059 -2.182 2.152) 6.790 14.300 ( 0.987 -1.171 -2.950) 3.324 14.300 ( 0.987 -1.171 2.950) 3.324 14.840 ( -7.916 -3.651 -1.714) 8.884 14.840 ( -7.916 -3.651 1.714) 8.884 ======================= Grid point 438 (139/140) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 4.224 1.643 -2.822) 5.339 2.355 ( 4.224 1.643 2.822) 5.339 2.792 ( -13.004 -1.083 -1.933) 13.192 2.792 ( -13.004 -1.083 1.933) 13.192 3.528 ( -0.332 13.793 -2.670) 14.053 3.528 ( -0.332 13.793 2.670) 14.053 3.878 ( 0.183 -17.690 -0.832) 17.711 3.878 ( 0.183 -17.690 0.832) 17.711 4.823 ( 11.005 7.452 -2.203) 13.472 4.823 ( 11.005 7.452 2.203) 13.472 5.231 ( 3.009 6.490 -2.314) 7.519 5.231 ( 3.009 6.490 2.314) 7.519 5.383 ( -1.196 -5.577 -1.106) 5.810 5.383 ( -1.196 -5.577 1.106) 5.810 5.477 ( -3.256 -5.636 -1.057) 6.594 5.477 ( -3.256 -5.636 1.057) 6.594 6.237 ( 2.742 0.252 -1.637) 3.204 6.237 ( 2.742 0.252 1.637) 3.204 6.382 ( -3.449 -0.751 -2.770) 4.487 6.382 ( -3.449 -0.751 2.770) 4.487 7.020 ( -1.468 8.063 -3.516) 8.918 7.020 ( -1.468 8.063 3.516) 8.918 7.292 ( -4.810 -7.957 -3.998) 10.121 7.292 ( -4.810 -7.957 3.998) 10.121 8.221 ( 4.786 5.775 -0.545) 7.520 8.221 ( 4.786 5.775 0.545) 7.520 8.596 ( -5.290 -4.051 -1.239) 6.777 8.596 ( -5.290 -4.051 1.239) 6.777 9.235 ( 4.078 3.822 -1.217) 5.720 9.235 ( 4.078 3.822 1.217) 5.720 9.333 ( 3.102 -5.437 -2.330) 6.679 9.333 ( 3.102 -5.437 2.330) 6.679 10.268 ( 3.368 1.660 -1.135) 3.922 10.268 ( 3.368 1.660 1.135) 3.922 10.520 ( -5.353 -3.622 -1.160) 6.566 10.520 ( -5.353 -3.622 1.160) 6.566 10.833 ( 2.617 4.027 -0.563) 4.835 10.833 ( 2.617 4.027 0.563) 4.835 11.181 ( -8.476 -2.533 -0.329) 8.853 11.181 ( -8.476 -2.533 0.329) 8.853 12.970 ( 8.081 8.571 -4.933) 12.771 12.970 ( 8.081 8.571 4.933) 12.771 13.128 ( 1.997 2.117 -0.483) 2.950 13.128 ( 1.997 2.117 0.483) 2.950 14.348 ( 4.027 -2.164 -3.045) 5.493 14.348 ( 4.027 -2.164 3.045) 5.493 14.665 ( -8.997 -4.802 -2.309) 10.456 14.665 ( -8.997 -4.802 2.309) 10.456 ======================= Grid point 440 (140/140) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -0.000 4.984 0.000) 4.984 2.477 ( 0.000 4.984 0.000) 4.984 2.577 ( -0.000 -4.273 0.000) 4.273 2.577 ( 0.000 -4.273 0.000) 4.273 3.526 ( -0.000 14.570 0.000) 14.570 3.526 ( 0.000 14.570 0.000) 14.570 3.882 ( -0.000 -18.744 0.000) 18.744 3.882 ( 0.000 -18.744 0.000) 18.744 4.950 ( 0.000 14.764 0.000) 14.764 4.950 ( 0.000 14.764 0.000) 14.764 5.261 ( -0.000 -13.035 -0.000) 13.035 5.261 ( -0.000 -13.035 0.000) 13.035 5.343 ( 0.000 6.617 -0.000) 6.617 5.343 ( 0.000 6.617 0.000) 6.617 5.464 ( -0.000 -5.684 0.000) 5.684 5.464 ( 0.000 -5.684 0.000) 5.684 6.283 ( -0.000 1.647 0.000) 1.647 6.283 ( 0.000 1.647 0.000) 1.647 6.322 ( -0.000 -1.755 -0.000) 1.755 6.322 ( 0.000 -1.755 0.000) 1.755 7.014 ( -0.000 10.255 -0.000) 10.255 7.014 ( 0.000 10.255 0.000) 10.255 7.234 ( 0.000 -10.287 0.000) 10.287 7.234 ( 0.000 -10.287 0.000) 10.287 8.302 ( 0.000 10.425 0.000) 10.425 8.302 ( 0.000 10.425 0.000) 10.425 8.507 ( 0.000 -8.515 -0.000) 8.515 8.507 ( 0.000 -8.515 0.000) 8.515 9.279 ( 0.000 3.512 0.000) 3.512 9.279 ( 0.000 3.512 0.000) 3.512 9.369 ( 0.000 -4.988 0.000) 4.988 9.369 ( 0.000 -4.988 0.000) 4.988 10.317 ( -0.000 4.418 0.000) 4.418 10.317 ( 0.000 4.418 0.000) 4.418 10.448 ( -0.000 -7.923 0.000) 7.923 10.448 ( 0.000 -7.923 0.000) 7.923 10.886 ( -0.000 9.835 0.000) 9.835 10.886 ( 0.000 9.835 0.000) 9.835 11.070 ( -0.000 -7.368 0.000) 7.368 11.070 ( 0.000 -7.368 0.000) 7.368 13.077 ( -0.000 7.572 -0.000) 7.572 13.077 ( 0.000 7.572 0.000) 7.572 13.125 ( -0.000 4.397 0.000) 4.397 13.125 ( 0.000 4.397 0.000) 4.397 14.433 ( -0.000 -0.054 -0.000) 0.054 14.433 ( 0.000 -0.054 0.000) 0.054 14.528 ( -0.000 -7.938 0.000) 7.938 14.528 ( 0.000 -7.938 0.000) 7.938 =================== 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 3/32256 10.0 1742.193 2140.249 3181.193 0.000 0.000 -0.000 3/32256 20.0 486.687 563.729 416.924 0.000 0.000 -0.000 3/32256 30.0 193.446 203.230 127.567 0.000 0.000 -0.000 3/32256 40.0 99.859 102.538 61.638 0.000 0.000 -0.000 3/32256 50.0 61.002 62.712 37.248 0.000 0.000 -0.000 3/32256 60.0 41.613 43.061 25.583 0.000 0.000 -0.000 3/32256 70.0 30.625 31.881 19.046 0.000 0.000 -0.000 3/32256 80.0 23.801 24.881 14.977 0.000 0.000 -0.000 3/32256 90.0 19.264 20.190 12.252 0.000 0.000 -0.000 3/32256 100.0 16.083 16.882 10.324 0.000 0.000 -0.000 3/32256 110.0 13.757 14.453 8.902 0.000 0.000 -0.000 3/32256 120.0 11.997 12.611 7.817 0.000 0.000 -0.000 3/32256 130.0 10.627 11.174 6.965 0.000 0.000 -0.000 3/32256 140.0 9.535 10.029 6.282 0.000 0.000 -0.000 3/32256 150.0 8.646 9.096 5.723 0.000 0.000 -0.000 3/32256 160.0 7.910 8.325 5.257 0.000 0.000 -0.000 3/32256 170.0 7.291 7.676 4.863 0.000 0.000 -0.000 3/32256 180.0 6.764 7.124 4.526 0.000 0.000 -0.000 3/32256 190.0 6.310 6.649 4.234 0.000 0.000 -0.000 3/32256 200.0 5.915 6.235 3.979 0.000 0.000 -0.000 3/32256 210.0 5.568 5.872 3.754 0.000 0.000 -0.000 3/32256 220.0 5.261 5.550 3.554 0.000 0.000 -0.000 3/32256 230.0 4.987 5.263 3.376 0.000 0.000 -0.000 3/32256 240.0 4.741 5.006 3.215 0.000 0.000 -0.000 3/32256 250.0 4.519 4.774 3.069 0.000 0.000 -0.000 3/32256 260.0 4.317 4.563 2.936 0.000 0.000 -0.000 3/32256 270.0 4.134 4.370 2.815 0.000 0.000 -0.000 3/32256 280.0 3.966 4.194 2.704 0.000 0.000 -0.000 3/32256 290.0 3.811 4.033 2.601 0.000 0.000 -0.000 3/32256 300.0 3.669 3.883 2.507 0.000 0.000 -0.000 3/32256 310.0 3.537 3.745 2.419 0.000 0.000 -0.000 3/32256 320.0 3.415 3.616 2.337 0.000 0.000 -0.000 3/32256 330.0 3.301 3.497 2.261 0.000 0.000 -0.000 3/32256 340.0 3.194 3.385 2.189 0.000 0.000 -0.000 3/32256 350.0 3.095 3.281 2.123 0.000 0.000 -0.000 3/32256 360.0 3.002 3.182 2.060 0.000 0.000 -0.000 3/32256 370.0 2.914 3.090 2.001 0.000 0.000 -0.000 3/32256 380.0 2.831 3.003 1.945 0.000 0.000 -0.000 3/32256 390.0 2.753 2.921 1.893 0.000 0.000 -0.000 3/32256 400.0 2.680 2.844 1.843 0.000 0.000 -0.000 3/32256 410.0 2.610 2.770 1.796 0.000 0.000 -0.000 3/32256 420.0 2.544 2.701 1.751 0.000 0.000 -0.000 3/32256 430.0 2.481 2.635 1.708 0.000 0.000 -0.000 3/32256 440.0 2.422 2.572 1.668 0.000 0.000 -0.000 3/32256 450.0 2.365 2.512 1.629 0.000 0.000 -0.000 3/32256 460.0 2.311 2.455 1.593 0.000 0.000 -0.000 3/32256 470.0 2.259 2.400 1.558 0.000 0.000 -0.000 3/32256 480.0 2.210 2.348 1.524 0.000 0.000 -0.000 3/32256 490.0 2.162 2.298 1.492 0.000 0.000 -0.000 3/32256 500.0 2.117 2.250 1.461 0.000 0.000 -0.000 3/32256 510.0 2.074 2.205 1.431 0.000 0.000 -0.000 3/32256 520.0 2.032 2.161 1.403 0.000 0.000 -0.000 3/32256 530.0 1.993 2.119 1.376 0.000 0.000 -0.000 3/32256 540.0 1.954 2.078 1.350 0.000 0.000 -0.000 3/32256 550.0 1.917 2.039 1.324 0.000 0.000 -0.000 3/32256 560.0 1.882 2.002 1.300 0.000 0.000 -0.000 3/32256 570.0 1.848 1.965 1.277 0.000 0.000 -0.000 3/32256 580.0 1.815 1.931 1.254 0.000 0.000 -0.000 3/32256 590.0 1.783 1.897 1.233 0.000 0.000 -0.000 3/32256 600.0 1.752 1.864 1.212 0.000 0.000 -0.000 3/32256 610.0 1.723 1.833 1.191 0.000 0.000 -0.000 3/32256 620.0 1.694 1.803 1.172 0.000 0.000 -0.000 3/32256 630.0 1.667 1.774 1.153 0.000 0.000 -0.000 3/32256 640.0 1.640 1.745 1.134 0.000 0.000 -0.000 3/32256 650.0 1.614 1.718 1.117 0.000 0.000 -0.000 3/32256 660.0 1.589 1.691 1.099 0.000 0.000 -0.000 3/32256 670.0 1.565 1.665 1.083 0.000 0.000 -0.000 3/32256 680.0 1.541 1.640 1.066 0.000 0.000 -0.000 3/32256 690.0 1.518 1.616 1.051 0.000 0.000 -0.000 3/32256 700.0 1.496 1.593 1.035 0.000 0.000 -0.000 3/32256 710.0 1.474 1.570 1.021 0.000 0.000 -0.000 3/32256 720.0 1.454 1.548 1.006 0.000 0.000 -0.000 3/32256 730.0 1.433 1.526 0.992 0.000 0.000 -0.000 3/32256 740.0 1.413 1.505 0.979 0.000 0.000 -0.000 3/32256 750.0 1.394 1.485 0.965 0.000 0.000 -0.000 3/32256 760.0 1.376 1.465 0.953 0.000 0.000 -0.000 3/32256 770.0 1.357 1.445 0.940 0.000 0.000 -0.000 3/32256 780.0 1.340 1.427 0.928 0.000 0.000 -0.000 3/32256 790.0 1.322 1.408 0.916 0.000 0.000 -0.000 3/32256 800.0 1.306 1.390 0.904 0.000 0.000 -0.000 3/32256 810.0 1.289 1.373 0.893 0.000 0.000 -0.000 3/32256 820.0 1.273 1.356 0.882 0.000 0.000 -0.000 3/32256 830.0 1.258 1.339 0.871 0.000 0.000 -0.000 3/32256 840.0 1.242 1.323 0.861 0.000 0.000 -0.000 3/32256 850.0 1.228 1.308 0.851 0.000 0.000 -0.000 3/32256 860.0 1.213 1.292 0.841 0.000 0.000 -0.000 3/32256 870.0 1.199 1.277 0.831 0.000 0.000 -0.000 3/32256 880.0 1.185 1.262 0.821 0.000 0.000 -0.000 3/32256 890.0 1.172 1.248 0.812 0.000 0.000 -0.000 3/32256 900.0 1.158 1.234 0.803 0.000 0.000 -0.000 3/32256 910.0 1.145 1.220 0.794 0.000 0.000 -0.000 3/32256 920.0 1.133 1.207 0.785 0.000 0.000 -0.000 3/32256 930.0 1.121 1.194 0.777 0.000 0.000 -0.000 3/32256 940.0 1.108 1.181 0.768 0.000 0.000 -0.000 3/32256 950.0 1.097 1.168 0.760 0.000 0.000 -0.000 3/32256 960.0 1.085 1.156 0.752 0.000 0.000 -0.000 3/32256 970.0 1.074 1.144 0.744 0.000 0.000 -0.000 3/32256 980.0 1.063 1.132 0.737 0.000 0.000 -0.000 3/32256 990.0 1.052 1.121 0.729 0.000 0.000 -0.000 3/32256 1000.0 1.041 1.109 0.722 0.000 0.000 -0.000 3/32256 Thermal conductivity related properties were written into "kappa-m8712.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:23:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|