----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:49:34]------------------------- 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: [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.391845580033901 -1.669875805000000 0.000000000000000 b 5.391845580033901 1.669875805000000 0.000000000000000 c -4.082508823465826 0.000000000000000 7.122357247011442 Atomic positions (fractional): *1 Li 0.65823422721506 0.65823422721506 0.94466436313219 6.941 2 Li 0.34176577278494 0.34176577278494 0.05533563686781 6.941 *3 O 0.53685380085579 0.53685380085579 0.30485602678688 15.999 4 O 0.46314619914421 0.46314619914421 0.69514397321312 15.999 *5 O 0.16199132234057 0.16199132234057 0.06167128824525 15.999 6 O 0.83800867765943 0.83800867765943 0.93832871175475 15.999 *7 Zn 0.95646126351577 0.95646126351577 0.81825808483116 65.380 8 Zn 0.04353873648423 0.04353873648423 0.18174191516884 65.380 *9 K 0.16401100504135 0.16401100504135 0.63051707481550 39.098 10 K 0.83598899495865 0.83598899495865 0.36948292518450 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.783691160067802 0.000000000000000 0.000000000000000 b 0.000000000000000 3.339751610000000 0.000000000000000 c -4.082508823465826 0.000000000000000 7.122357247011442 Atomic positions (fractional): *1 Li 0.15823422721506 0.50000000000000 0.94466436313219 6.941 > 1 2 Li 0.84176577278494 0.50000000000000 0.05533563686781 6.941 > 2 3 Li 0.65823422721506 0.00000000000000 0.94466436313219 6.941 > 1 4 Li 0.34176577278494 0.00000000000000 0.05533563686781 6.941 > 2 *5 O 0.03685380085579 0.50000000000000 0.30485602678688 15.999 > 3 6 O 0.96314619914421 0.50000000000000 0.69514397321312 15.999 > 4 *7 O 0.66199132234057 0.50000000000000 0.06167128824525 15.999 > 5 8 O 0.33800867765943 0.50000000000000 0.93832871175475 15.999 > 6 9 O 0.53685380085579 0.00000000000000 0.30485602678688 15.999 > 3 10 O 0.46314619914421 0.00000000000000 0.69514397321312 15.999 > 4 11 O 0.16199132234057 0.00000000000000 0.06167128824525 15.999 > 5 12 O 0.83800867765943 0.00000000000000 0.93832871175475 15.999 > 6 *13 Zn 0.95646126351577 0.00000000000000 0.81825808483116 65.380 > 7 14 Zn 0.04353873648423 0.00000000000000 0.18174191516884 65.380 > 8 15 Zn 0.45646126351577 0.50000000000000 0.81825808483116 65.380 > 7 16 Zn 0.54353873648423 0.50000000000000 0.18174191516884 65.380 > 8 *17 K 0.16401100504135 0.00000000000000 0.63051707481550 39.098 > 9 18 K 0.83598899495865 0.00000000000000 0.36948292518450 39.098 > 10 19 K 0.66401100504135 0.50000000000000 0.63051707481550 39.098 > 9 20 K 0.33598899495865 0.50000000000000 0.36948292518450 39.098 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.783691160067802 0.000000000000000 0.000000000000000 b 0.000000000000000 10.019254830000000 0.000000000000000 c -8.165017646931652 0.000000000000000 14.244714494022883 Atomic positions (fractional): *1 Li 0.15823422721506 0.16666666666667 0.47233218156609 6.941 > 1 2 Li 0.15823422721506 0.50000000000000 0.47233218156609 6.941 > 1 3 Li 0.15823422721506 0.83333333333333 0.47233218156609 6.941 > 1 4 Li 0.15823422721506 0.16666666666667 0.97233218156609 6.941 > 1 5 Li 0.15823422721506 0.50000000000000 0.97233218156609 6.941 > 1 6 Li 0.15823422721506 0.83333333333333 0.97233218156609 6.941 > 1 7 Li 0.84176577278494 0.16666666666667 0.02766781843391 6.941 > 2 8 Li 0.84176577278494 0.50000000000000 0.02766781843391 6.941 > 2 9 Li 0.84176577278494 0.83333333333333 0.02766781843391 6.941 > 2 10 Li 0.84176577278494 0.16666666666667 0.52766781843391 6.941 > 2 11 Li 0.84176577278494 0.50000000000000 0.52766781843391 6.941 > 2 12 Li 0.84176577278494 0.83333333333333 0.52766781843391 6.941 > 2 13 Li 0.65823422721506 0.00000000000000 0.47233218156609 6.941 > 1 14 Li 0.65823422721506 0.33333333333333 0.47233218156609 6.941 > 1 15 Li 0.65823422721506 0.66666666666667 0.47233218156609 6.941 > 1 16 Li 0.65823422721506 0.00000000000000 0.97233218156609 6.941 > 1 17 Li 0.65823422721506 0.33333333333333 0.97233218156609 6.941 > 1 18 Li 0.65823422721506 0.66666666666667 0.97233218156609 6.941 > 1 19 Li 0.34176577278494 0.00000000000000 0.02766781843391 6.941 > 2 20 Li 0.34176577278494 0.33333333333333 0.02766781843391 6.941 > 2 21 Li 0.34176577278494 0.66666666666667 0.02766781843391 6.941 > 2 22 Li 0.34176577278494 0.00000000000000 0.52766781843391 6.941 > 2 23 Li 0.34176577278494 0.33333333333333 0.52766781843391 6.941 > 2 24 Li 0.34176577278494 0.66666666666667 0.52766781843391 6.941 > 2 *25 O 0.03685380085579 0.16666666666667 0.15242801339344 15.999 > 3 26 O 0.03685380085579 0.50000000000000 0.15242801339344 15.999 > 3 27 O 0.03685380085579 0.83333333333333 0.15242801339344 15.999 > 3 28 O 0.03685380085579 0.16666666666667 0.65242801339344 15.999 > 3 29 O 0.03685380085579 0.50000000000000 0.65242801339344 15.999 > 3 30 O 0.03685380085579 0.83333333333333 0.65242801339344 15.999 > 3 31 O 0.96314619914421 0.16666666666667 0.34757198660656 15.999 > 4 32 O 0.96314619914421 0.50000000000000 0.34757198660656 15.999 > 4 33 O 0.96314619914421 0.83333333333333 0.34757198660656 15.999 > 4 34 O 0.96314619914421 0.16666666666667 0.84757198660656 15.999 > 4 35 O 0.96314619914421 0.50000000000000 0.84757198660656 15.999 > 4 36 O 0.96314619914421 0.83333333333333 0.84757198660656 15.999 > 4 *37 O 0.66199132234057 0.16666666666667 0.03083564412263 15.999 > 5 38 O 0.66199132234057 0.50000000000000 0.03083564412263 15.999 > 5 39 O 0.66199132234057 0.83333333333333 0.03083564412263 15.999 > 5 40 O 0.66199132234057 0.16666666666667 0.53083564412263 15.999 > 5 41 O 0.66199132234057 0.50000000000000 0.53083564412263 15.999 > 5 42 O 0.66199132234057 0.83333333333333 0.53083564412263 15.999 > 5 43 O 0.33800867765943 0.16666666666667 0.46916435587737 15.999 > 6 44 O 0.33800867765943 0.50000000000000 0.46916435587737 15.999 > 6 45 O 0.33800867765943 0.83333333333333 0.46916435587737 15.999 > 6 46 O 0.33800867765943 0.16666666666667 0.96916435587737 15.999 > 6 47 O 0.33800867765943 0.50000000000000 0.96916435587737 15.999 > 6 48 O 0.33800867765943 0.83333333333333 0.96916435587737 15.999 > 6 49 O 0.53685380085579 0.00000000000000 0.15242801339344 15.999 > 3 50 O 0.53685380085579 0.33333333333333 0.15242801339344 15.999 > 3 51 O 0.53685380085579 0.66666666666667 0.15242801339344 15.999 > 3 52 O 0.53685380085579 0.00000000000000 0.65242801339344 15.999 > 3 53 O 0.53685380085579 0.33333333333333 0.65242801339344 15.999 > 3 54 O 0.53685380085579 0.66666666666667 0.65242801339344 15.999 > 3 55 O 0.46314619914421 0.00000000000000 0.34757198660656 15.999 > 4 56 O 0.46314619914421 0.33333333333333 0.34757198660656 15.999 > 4 57 O 0.46314619914421 0.66666666666667 0.34757198660656 15.999 > 4 58 O 0.46314619914421 0.00000000000000 0.84757198660656 15.999 > 4 59 O 0.46314619914421 0.33333333333333 0.84757198660656 15.999 > 4 60 O 0.46314619914421 0.66666666666667 0.84757198660656 15.999 > 4 61 O 0.16199132234057 0.00000000000000 0.03083564412263 15.999 > 5 62 O 0.16199132234057 0.33333333333333 0.03083564412263 15.999 > 5 63 O 0.16199132234057 0.66666666666667 0.03083564412263 15.999 > 5 64 O 0.16199132234057 0.00000000000000 0.53083564412263 15.999 > 5 65 O 0.16199132234057 0.33333333333333 0.53083564412263 15.999 > 5 66 O 0.16199132234057 0.66666666666667 0.53083564412263 15.999 > 5 67 O 0.83800867765943 0.00000000000000 0.46916435587737 15.999 > 6 68 O 0.83800867765943 0.33333333333333 0.46916435587737 15.999 > 6 69 O 0.83800867765943 0.66666666666667 0.46916435587737 15.999 > 6 70 O 0.83800867765943 0.00000000000000 0.96916435587737 15.999 > 6 71 O 0.83800867765943 0.33333333333333 0.96916435587737 15.999 > 6 72 O 0.83800867765943 0.66666666666667 0.96916435587737 15.999 > 6 *73 Zn 0.95646126351577 0.00000000000000 0.40912904241558 65.380 > 7 74 Zn 0.95646126351577 0.33333333333333 0.40912904241558 65.380 > 7 75 Zn 0.95646126351577 0.66666666666667 0.40912904241558 65.380 > 7 76 Zn 0.95646126351577 0.00000000000000 0.90912904241558 65.380 > 7 77 Zn 0.95646126351577 0.33333333333333 0.90912904241558 65.380 > 7 78 Zn 0.95646126351577 0.66666666666667 0.90912904241558 65.380 > 7 79 Zn 0.04353873648423 0.00000000000000 0.09087095758442 65.380 > 8 80 Zn 0.04353873648423 0.33333333333333 0.09087095758442 65.380 > 8 81 Zn 0.04353873648423 0.66666666666667 0.09087095758442 65.380 > 8 82 Zn 0.04353873648423 0.00000000000000 0.59087095758442 65.380 > 8 83 Zn 0.04353873648423 0.33333333333333 0.59087095758442 65.380 > 8 84 Zn 0.04353873648423 0.66666666666667 0.59087095758442 65.380 > 8 85 Zn 0.45646126351577 0.16666666666667 0.40912904241558 65.380 > 7 86 Zn 0.45646126351577 0.50000000000000 0.40912904241558 65.380 > 7 87 Zn 0.45646126351577 0.83333333333333 0.40912904241558 65.380 > 7 88 Zn 0.45646126351577 0.16666666666667 0.90912904241558 65.380 > 7 89 Zn 0.45646126351577 0.50000000000000 0.90912904241558 65.380 > 7 90 Zn 0.45646126351577 0.83333333333333 0.90912904241558 65.380 > 7 91 Zn 0.54353873648423 0.16666666666667 0.09087095758442 65.380 > 8 92 Zn 0.54353873648423 0.50000000000000 0.09087095758442 65.380 > 8 93 Zn 0.54353873648423 0.83333333333333 0.09087095758442 65.380 > 8 94 Zn 0.54353873648423 0.16666666666667 0.59087095758442 65.380 > 8 95 Zn 0.54353873648423 0.50000000000000 0.59087095758442 65.380 > 8 96 Zn 0.54353873648423 0.83333333333333 0.59087095758442 65.380 > 8 *97 K 0.16401100504135 0.00000000000000 0.31525853740775 39.098 > 9 98 K 0.16401100504135 0.33333333333333 0.31525853740775 39.098 > 9 99 K 0.16401100504135 0.66666666666667 0.31525853740775 39.098 > 9 100 K 0.16401100504135 0.00000000000000 0.81525853740775 39.098 > 9 101 K 0.16401100504135 0.33333333333333 0.81525853740775 39.098 > 9 102 K 0.16401100504135 0.66666666666667 0.81525853740775 39.098 > 9 103 K 0.83598899495865 0.00000000000000 0.18474146259225 39.098 > 10 104 K 0.83598899495865 0.33333333333333 0.18474146259225 39.098 > 10 105 K 0.83598899495865 0.66666666666667 0.18474146259225 39.098 > 10 106 K 0.83598899495865 0.00000000000000 0.68474146259225 39.098 > 10 107 K 0.83598899495865 0.33333333333333 0.68474146259225 39.098 > 10 108 K 0.83598899495865 0.66666666666667 0.68474146259225 39.098 > 10 109 K 0.66401100504135 0.16666666666667 0.31525853740775 39.098 > 9 110 K 0.66401100504135 0.50000000000000 0.31525853740775 39.098 > 9 111 K 0.66401100504135 0.83333333333333 0.31525853740775 39.098 > 9 112 K 0.66401100504135 0.16666666666667 0.81525853740775 39.098 > 9 113 K 0.66401100504135 0.50000000000000 0.81525853740775 39.098 > 9 114 K 0.66401100504135 0.83333333333333 0.81525853740775 39.098 > 9 115 K 0.33598899495865 0.16666666666667 0.18474146259225 39.098 > 10 116 K 0.33598899495865 0.50000000000000 0.18474146259225 39.098 > 10 117 K 0.33598899495865 0.83333333333333 0.18474146259225 39.098 > 10 118 K 0.33598899495865 0.16666666666667 0.68474146259225 39.098 > 10 119 K 0.33598899495865 0.50000000000000 0.68474146259225 39.098 > 10 120 K 0.33598899495865 0.83333333333333 0.68474146259225 39.098 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3726072 0.0000000 -0.0350907 0.0000000 3.7237877 0.0000000 -0.0350901 0.0000000 3.4164730 -------------------------- Born effective charges -------------------------- 1 Li 1.1167127 0.0000000 0.0352637 0.0000000 0.9268155 0.0000000 0.0557378 0.0000000 0.6967389 2 Li 1.1167127 0.0000000 0.0352637 0.0000000 0.9268155 0.0000000 0.0557378 0.0000000 0.6967389 3 O -1.5401530 0.0000000 0.0962010 0.0000000 -2.5890068 0.0000000 0.1596498 0.0000000 -1.8248212 4 O -1.5401530 0.0000000 0.0962010 0.0000000 -2.5890068 0.0000000 0.1596498 0.0000000 -1.8248212 5 O -2.2503107 0.0000000 0.0006835 0.0000000 -1.6272252 0.0000000 -0.0761329 0.0000000 -1.7942924 6 O -2.2503107 0.0000000 0.0006835 0.0000000 -1.6272252 0.0000000 -0.0761329 0.0000000 -1.7942924 7 Zn 1.4856575 0.0000000 -0.1800442 0.0000000 2.1984945 0.0000000 -0.1853270 0.0000000 1.5451204 8 Zn 1.4856575 0.0000000 -0.1800442 0.0000000 2.1984945 0.0000000 -0.1853270 0.0000000 1.5451204 9 K 1.1880934 0.0000000 0.0478960 0.0000000 1.0909219 0.0000000 0.0460724 0.0000000 1.3772543 10 K 1.1880934 0.0000000 0.0478960 0.0000000 1.0909219 0.0000000 0.0460724 0.0000000 1.3772543 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1520 Number of blocks in projector: 1520 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1520, 1496), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (400, 391), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.254 Solver_block: 200 / 320 - Time: 2.226 Solver_block: 300 / 320 - Time: 2.229 Solver_block: 320 / 320 - Time: 0.533 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.275 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1520 Number of blocks in projector: 1520 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1520, 1496), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (400, 391), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:49:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:49:56]------------------------- 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): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.391845580033901 -1.669875805000000 0.000000000000000 b 5.391845580033901 1.669875805000000 0.000000000000000 c -4.082508823465826 0.000000000000000 7.122357247011442 Atomic positions (fractional): 1 Li 0.65823422721506 0.65823422721506 0.94466436313219 6.941 2 Li 0.34176577278494 0.34176577278494 0.05533563686781 6.941 3 O 0.53685380085579 0.53685380085579 0.30485602678688 15.999 4 O 0.46314619914421 0.46314619914421 0.69514397321312 15.999 5 O 0.16199132234057 0.16199132234057 0.06167128824525 15.999 6 O 0.83800867765943 0.83800867765943 0.93832871175475 15.999 7 Zn 0.95646126351577 0.95646126351577 0.81825808483116 65.380 8 Zn 0.04353873648423 0.04353873648423 0.18174191516884 65.380 9 K 0.16401100504135 0.16401100504135 0.63051707481550 39.098 10 K 0.83598899495865 0.83598899495865 0.36948292518450 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.783691160067802 0.000000000000000 0.000000000000000 b 0.000000000000000 10.019254830000000 0.000000000000000 c -8.165017646931652 0.000000000000000 14.244714494022883 Atomic positions (fractional): 1 Li 0.15823422721506 0.16666666666667 0.47233218156609 6.941 > 1 2 Li 0.15823422721506 0.50000000000000 0.47233218156609 6.941 > 1 3 Li 0.15823422721506 0.83333333333333 0.47233218156609 6.941 > 1 4 Li 0.15823422721506 0.16666666666667 0.97233218156609 6.941 > 1 5 Li 0.15823422721506 0.50000000000000 0.97233218156609 6.941 > 1 6 Li 0.15823422721506 0.83333333333333 0.97233218156609 6.941 > 1 7 Li 0.84176577278494 0.16666666666667 0.02766781843391 6.941 > 7 8 Li 0.84176577278494 0.50000000000000 0.02766781843391 6.941 > 7 9 Li 0.84176577278494 0.83333333333333 0.02766781843391 6.941 > 7 10 Li 0.84176577278494 0.16666666666667 0.52766781843391 6.941 > 7 11 Li 0.84176577278494 0.50000000000000 0.52766781843391 6.941 > 7 12 Li 0.84176577278494 0.83333333333333 0.52766781843391 6.941 > 7 13 Li 0.65823422721506 0.00000000000000 0.47233218156609 6.941 > 1 14 Li 0.65823422721506 0.33333333333333 0.47233218156609 6.941 > 1 15 Li 0.65823422721506 0.66666666666667 0.47233218156609 6.941 > 1 16 Li 0.65823422721506 0.00000000000000 0.97233218156609 6.941 > 1 17 Li 0.65823422721506 0.33333333333333 0.97233218156609 6.941 > 1 18 Li 0.65823422721506 0.66666666666667 0.97233218156609 6.941 > 1 19 Li 0.34176577278494 0.00000000000000 0.02766781843391 6.941 > 7 20 Li 0.34176577278494 0.33333333333333 0.02766781843391 6.941 > 7 21 Li 0.34176577278494 0.66666666666667 0.02766781843391 6.941 > 7 22 Li 0.34176577278494 0.00000000000000 0.52766781843391 6.941 > 7 23 Li 0.34176577278494 0.33333333333333 0.52766781843391 6.941 > 7 24 Li 0.34176577278494 0.66666666666667 0.52766781843391 6.941 > 7 25 O 0.03685380085579 0.16666666666667 0.15242801339344 15.999 > 25 26 O 0.03685380085579 0.50000000000000 0.15242801339344 15.999 > 25 27 O 0.03685380085579 0.83333333333333 0.15242801339344 15.999 > 25 28 O 0.03685380085579 0.16666666666667 0.65242801339344 15.999 > 25 29 O 0.03685380085579 0.50000000000000 0.65242801339344 15.999 > 25 30 O 0.03685380085579 0.83333333333333 0.65242801339344 15.999 > 25 31 O 0.96314619914421 0.16666666666667 0.34757198660656 15.999 > 31 32 O 0.96314619914421 0.50000000000000 0.34757198660656 15.999 > 31 33 O 0.96314619914421 0.83333333333333 0.34757198660656 15.999 > 31 34 O 0.96314619914421 0.16666666666667 0.84757198660656 15.999 > 31 35 O 0.96314619914421 0.50000000000000 0.84757198660656 15.999 > 31 36 O 0.96314619914421 0.83333333333333 0.84757198660656 15.999 > 31 37 O 0.66199132234057 0.16666666666667 0.03083564412263 15.999 > 37 38 O 0.66199132234057 0.50000000000000 0.03083564412263 15.999 > 37 39 O 0.66199132234057 0.83333333333333 0.03083564412263 15.999 > 37 40 O 0.66199132234057 0.16666666666667 0.53083564412263 15.999 > 37 41 O 0.66199132234057 0.50000000000000 0.53083564412263 15.999 > 37 42 O 0.66199132234057 0.83333333333333 0.53083564412263 15.999 > 37 43 O 0.33800867765943 0.16666666666667 0.46916435587737 15.999 > 43 44 O 0.33800867765943 0.50000000000000 0.46916435587737 15.999 > 43 45 O 0.33800867765943 0.83333333333333 0.46916435587737 15.999 > 43 46 O 0.33800867765943 0.16666666666667 0.96916435587737 15.999 > 43 47 O 0.33800867765943 0.50000000000000 0.96916435587737 15.999 > 43 48 O 0.33800867765943 0.83333333333333 0.96916435587737 15.999 > 43 49 O 0.53685380085579 0.00000000000000 0.15242801339344 15.999 > 25 50 O 0.53685380085579 0.33333333333333 0.15242801339344 15.999 > 25 51 O 0.53685380085579 0.66666666666667 0.15242801339344 15.999 > 25 52 O 0.53685380085579 0.00000000000000 0.65242801339344 15.999 > 25 53 O 0.53685380085579 0.33333333333333 0.65242801339344 15.999 > 25 54 O 0.53685380085579 0.66666666666667 0.65242801339344 15.999 > 25 55 O 0.46314619914421 0.00000000000000 0.34757198660656 15.999 > 31 56 O 0.46314619914421 0.33333333333333 0.34757198660656 15.999 > 31 57 O 0.46314619914421 0.66666666666667 0.34757198660656 15.999 > 31 58 O 0.46314619914421 0.00000000000000 0.84757198660656 15.999 > 31 59 O 0.46314619914421 0.33333333333333 0.84757198660656 15.999 > 31 60 O 0.46314619914421 0.66666666666667 0.84757198660656 15.999 > 31 61 O 0.16199132234057 0.00000000000000 0.03083564412263 15.999 > 37 62 O 0.16199132234057 0.33333333333333 0.03083564412263 15.999 > 37 63 O 0.16199132234057 0.66666666666667 0.03083564412263 15.999 > 37 64 O 0.16199132234057 0.00000000000000 0.53083564412263 15.999 > 37 65 O 0.16199132234057 0.33333333333333 0.53083564412263 15.999 > 37 66 O 0.16199132234057 0.66666666666667 0.53083564412263 15.999 > 37 67 O 0.83800867765943 0.00000000000000 0.46916435587737 15.999 > 43 68 O 0.83800867765943 0.33333333333333 0.46916435587737 15.999 > 43 69 O 0.83800867765943 0.66666666666667 0.46916435587737 15.999 > 43 70 O 0.83800867765943 0.00000000000000 0.96916435587737 15.999 > 43 71 O 0.83800867765943 0.33333333333333 0.96916435587737 15.999 > 43 72 O 0.83800867765943 0.66666666666667 0.96916435587737 15.999 > 43 73 Zn 0.95646126351577 0.00000000000000 0.40912904241558 65.380 > 73 74 Zn 0.95646126351577 0.33333333333333 0.40912904241558 65.380 > 73 75 Zn 0.95646126351577 0.66666666666667 0.40912904241558 65.380 > 73 76 Zn 0.95646126351577 0.00000000000000 0.90912904241558 65.380 > 73 77 Zn 0.95646126351577 0.33333333333333 0.90912904241558 65.380 > 73 78 Zn 0.95646126351577 0.66666666666667 0.90912904241558 65.380 > 73 79 Zn 0.04353873648423 0.00000000000000 0.09087095758442 65.380 > 79 80 Zn 0.04353873648423 0.33333333333333 0.09087095758442 65.380 > 79 81 Zn 0.04353873648423 0.66666666666667 0.09087095758442 65.380 > 79 82 Zn 0.04353873648423 0.00000000000000 0.59087095758442 65.380 > 79 83 Zn 0.04353873648423 0.33333333333333 0.59087095758442 65.380 > 79 84 Zn 0.04353873648423 0.66666666666667 0.59087095758442 65.380 > 79 85 Zn 0.45646126351577 0.16666666666667 0.40912904241558 65.380 > 73 86 Zn 0.45646126351577 0.50000000000000 0.40912904241558 65.380 > 73 87 Zn 0.45646126351577 0.83333333333333 0.40912904241558 65.380 > 73 88 Zn 0.45646126351577 0.16666666666667 0.90912904241558 65.380 > 73 89 Zn 0.45646126351577 0.50000000000000 0.90912904241558 65.380 > 73 90 Zn 0.45646126351577 0.83333333333333 0.90912904241558 65.380 > 73 91 Zn 0.54353873648423 0.16666666666667 0.09087095758442 65.380 > 79 92 Zn 0.54353873648423 0.50000000000000 0.09087095758442 65.380 > 79 93 Zn 0.54353873648423 0.83333333333333 0.09087095758442 65.380 > 79 94 Zn 0.54353873648423 0.16666666666667 0.59087095758442 65.380 > 79 95 Zn 0.54353873648423 0.50000000000000 0.59087095758442 65.380 > 79 96 Zn 0.54353873648423 0.83333333333333 0.59087095758442 65.380 > 79 97 K 0.16401100504135 0.00000000000000 0.31525853740775 39.098 > 97 98 K 0.16401100504135 0.33333333333333 0.31525853740775 39.098 > 97 99 K 0.16401100504135 0.66666666666667 0.31525853740775 39.098 > 97 100 K 0.16401100504135 0.00000000000000 0.81525853740775 39.098 > 97 101 K 0.16401100504135 0.33333333333333 0.81525853740775 39.098 > 97 102 K 0.16401100504135 0.66666666666667 0.81525853740775 39.098 > 97 103 K 0.83598899495865 0.00000000000000 0.18474146259225 39.098 > 103 104 K 0.83598899495865 0.33333333333333 0.18474146259225 39.098 > 103 105 K 0.83598899495865 0.66666666666667 0.18474146259225 39.098 > 103 106 K 0.83598899495865 0.00000000000000 0.68474146259225 39.098 > 103 107 K 0.83598899495865 0.33333333333333 0.68474146259225 39.098 > 103 108 K 0.83598899495865 0.66666666666667 0.68474146259225 39.098 > 103 109 K 0.66401100504135 0.16666666666667 0.31525853740775 39.098 > 97 110 K 0.66401100504135 0.50000000000000 0.31525853740775 39.098 > 97 111 K 0.66401100504135 0.83333333333333 0.31525853740775 39.098 > 97 112 K 0.66401100504135 0.16666666666667 0.81525853740775 39.098 > 97 113 K 0.66401100504135 0.50000000000000 0.81525853740775 39.098 > 97 114 K 0.66401100504135 0.83333333333333 0.81525853740775 39.098 > 97 115 K 0.33598899495865 0.16666666666667 0.18474146259225 39.098 > 103 116 K 0.33598899495865 0.50000000000000 0.18474146259225 39.098 > 103 117 K 0.33598899495865 0.83333333333333 0.18474146259225 39.098 > 103 118 K 0.33598899495865 0.16666666666667 0.68474146259225 39.098 > 103 119 K 0.33598899495865 0.50000000000000 0.68474146259225 39.098 > 103 120 K 0.33598899495865 0.83333333333333 0.68474146259225 39.098 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3726072 0.0000000 -0.0350907 0.0000000 3.7237877 0.0000000 -0.0350901 0.0000000 3.4164730 -------------------------- Born effective charges -------------------------- 1 Li 1.1167127 0.0000000 0.0352637 0.0000000 0.9268155 0.0000000 0.0557378 0.0000000 0.6967389 2 Li 1.1167127 0.0000000 0.0352637 0.0000000 0.9268155 0.0000000 0.0557378 0.0000000 0.6967389 3 O -1.5401530 0.0000000 0.0962010 0.0000000 -2.5890068 0.0000000 0.1596498 0.0000000 -1.8248212 4 O -1.5401530 0.0000000 0.0962010 0.0000000 -2.5890068 0.0000000 0.1596498 0.0000000 -1.8248212 5 O -2.2503107 0.0000000 0.0006835 0.0000000 -1.6272252 0.0000000 -0.0761329 0.0000000 -1.7942924 6 O -2.2503107 0.0000000 0.0006835 0.0000000 -1.6272252 0.0000000 -0.0761329 0.0000000 -1.7942924 7 Zn 1.4856575 0.0000000 -0.1800442 0.0000000 2.1984945 0.0000000 -0.1853270 0.0000000 1.5451204 8 Zn 1.4856575 0.0000000 -0.1800442 0.0000000 2.1984945 0.0000000 -0.1853270 0.0000000 1.5451204 9 K 1.1880934 0.0000000 0.0478960 0.0000000 1.0909219 0.0000000 0.0460724 0.0000000 1.3772543 10 K 1.1880934 0.0000000 0.0478960 0.0000000 1.0909219 0.0000000 0.0460724 0.0000000 1.3772543 ---------------------------------------------------------------------------- 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yzy) 0.00000002 (yzy) 0.00000002 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (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 2026-01-08 10:50:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:50:14]------------------------- 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): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.391845580033901 -1.669875805000000 0.000000000000000 b 5.391845580033901 1.669875805000000 0.000000000000000 c -4.082508823465826 0.000000000000000 7.122357247011442 Atomic positions (fractional): 1 Li 0.65823422721506 0.65823422721506 0.94466436313219 6.941 2 Li 0.34176577278494 0.34176577278494 0.05533563686781 6.941 3 O 0.53685380085579 0.53685380085579 0.30485602678688 15.999 4 O 0.46314619914421 0.46314619914421 0.69514397321312 15.999 5 O 0.16199132234057 0.16199132234057 0.06167128824525 15.999 6 O 0.83800867765943 0.83800867765943 0.93832871175475 15.999 7 Zn 0.95646126351577 0.95646126351577 0.81825808483116 65.380 8 Zn 0.04353873648423 0.04353873648423 0.18174191516884 65.380 9 K 0.16401100504135 0.16401100504135 0.63051707481550 39.098 10 K 0.83598899495865 0.83598899495865 0.36948292518450 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.783691160067802 0.000000000000000 0.000000000000000 b 0.000000000000000 10.019254830000000 0.000000000000000 c -8.165017646931652 0.000000000000000 14.244714494022883 Atomic positions (fractional): 1 Li 0.15823422721506 0.16666666666667 0.47233218156609 6.941 > 1 2 Li 0.15823422721506 0.50000000000000 0.47233218156609 6.941 > 1 3 Li 0.15823422721506 0.83333333333333 0.47233218156609 6.941 > 1 4 Li 0.15823422721506 0.16666666666667 0.97233218156609 6.941 > 1 5 Li 0.15823422721506 0.50000000000000 0.97233218156609 6.941 > 1 6 Li 0.15823422721506 0.83333333333333 0.97233218156609 6.941 > 1 7 Li 0.84176577278494 0.16666666666667 0.02766781843391 6.941 > 7 8 Li 0.84176577278494 0.50000000000000 0.02766781843391 6.941 > 7 9 Li 0.84176577278494 0.83333333333333 0.02766781843391 6.941 > 7 10 Li 0.84176577278494 0.16666666666667 0.52766781843391 6.941 > 7 11 Li 0.84176577278494 0.50000000000000 0.52766781843391 6.941 > 7 12 Li 0.84176577278494 0.83333333333333 0.52766781843391 6.941 > 7 13 Li 0.65823422721506 0.00000000000000 0.47233218156609 6.941 > 1 14 Li 0.65823422721506 0.33333333333333 0.47233218156609 6.941 > 1 15 Li 0.65823422721506 0.66666666666667 0.47233218156609 6.941 > 1 16 Li 0.65823422721506 0.00000000000000 0.97233218156609 6.941 > 1 17 Li 0.65823422721506 0.33333333333333 0.97233218156609 6.941 > 1 18 Li 0.65823422721506 0.66666666666667 0.97233218156609 6.941 > 1 19 Li 0.34176577278494 0.00000000000000 0.02766781843391 6.941 > 7 20 Li 0.34176577278494 0.33333333333333 0.02766781843391 6.941 > 7 21 Li 0.34176577278494 0.66666666666667 0.02766781843391 6.941 > 7 22 Li 0.34176577278494 0.00000000000000 0.52766781843391 6.941 > 7 23 Li 0.34176577278494 0.33333333333333 0.52766781843391 6.941 > 7 24 Li 0.34176577278494 0.66666666666667 0.52766781843391 6.941 > 7 25 O 0.03685380085579 0.16666666666667 0.15242801339344 15.999 > 25 26 O 0.03685380085579 0.50000000000000 0.15242801339344 15.999 > 25 27 O 0.03685380085579 0.83333333333333 0.15242801339344 15.999 > 25 28 O 0.03685380085579 0.16666666666667 0.65242801339344 15.999 > 25 29 O 0.03685380085579 0.50000000000000 0.65242801339344 15.999 > 25 30 O 0.03685380085579 0.83333333333333 0.65242801339344 15.999 > 25 31 O 0.96314619914421 0.16666666666667 0.34757198660656 15.999 > 31 32 O 0.96314619914421 0.50000000000000 0.34757198660656 15.999 > 31 33 O 0.96314619914421 0.83333333333333 0.34757198660656 15.999 > 31 34 O 0.96314619914421 0.16666666666667 0.84757198660656 15.999 > 31 35 O 0.96314619914421 0.50000000000000 0.84757198660656 15.999 > 31 36 O 0.96314619914421 0.83333333333333 0.84757198660656 15.999 > 31 37 O 0.66199132234057 0.16666666666667 0.03083564412263 15.999 > 37 38 O 0.66199132234057 0.50000000000000 0.03083564412263 15.999 > 37 39 O 0.66199132234057 0.83333333333333 0.03083564412263 15.999 > 37 40 O 0.66199132234057 0.16666666666667 0.53083564412263 15.999 > 37 41 O 0.66199132234057 0.50000000000000 0.53083564412263 15.999 > 37 42 O 0.66199132234057 0.83333333333333 0.53083564412263 15.999 > 37 43 O 0.33800867765943 0.16666666666667 0.46916435587737 15.999 > 43 44 O 0.33800867765943 0.50000000000000 0.46916435587737 15.999 > 43 45 O 0.33800867765943 0.83333333333333 0.46916435587737 15.999 > 43 46 O 0.33800867765943 0.16666666666667 0.96916435587737 15.999 > 43 47 O 0.33800867765943 0.50000000000000 0.96916435587737 15.999 > 43 48 O 0.33800867765943 0.83333333333333 0.96916435587737 15.999 > 43 49 O 0.53685380085579 0.00000000000000 0.15242801339344 15.999 > 25 50 O 0.53685380085579 0.33333333333333 0.15242801339344 15.999 > 25 51 O 0.53685380085579 0.66666666666667 0.15242801339344 15.999 > 25 52 O 0.53685380085579 0.00000000000000 0.65242801339344 15.999 > 25 53 O 0.53685380085579 0.33333333333333 0.65242801339344 15.999 > 25 54 O 0.53685380085579 0.66666666666667 0.65242801339344 15.999 > 25 55 O 0.46314619914421 0.00000000000000 0.34757198660656 15.999 > 31 56 O 0.46314619914421 0.33333333333333 0.34757198660656 15.999 > 31 57 O 0.46314619914421 0.66666666666667 0.34757198660656 15.999 > 31 58 O 0.46314619914421 0.00000000000000 0.84757198660656 15.999 > 31 59 O 0.46314619914421 0.33333333333333 0.84757198660656 15.999 > 31 60 O 0.46314619914421 0.66666666666667 0.84757198660656 15.999 > 31 61 O 0.16199132234057 0.00000000000000 0.03083564412263 15.999 > 37 62 O 0.16199132234057 0.33333333333333 0.03083564412263 15.999 > 37 63 O 0.16199132234057 0.66666666666667 0.03083564412263 15.999 > 37 64 O 0.16199132234057 0.00000000000000 0.53083564412263 15.999 > 37 65 O 0.16199132234057 0.33333333333333 0.53083564412263 15.999 > 37 66 O 0.16199132234057 0.66666666666667 0.53083564412263 15.999 > 37 67 O 0.83800867765943 0.00000000000000 0.46916435587737 15.999 > 43 68 O 0.83800867765943 0.33333333333333 0.46916435587737 15.999 > 43 69 O 0.83800867765943 0.66666666666667 0.46916435587737 15.999 > 43 70 O 0.83800867765943 0.00000000000000 0.96916435587737 15.999 > 43 71 O 0.83800867765943 0.33333333333333 0.96916435587737 15.999 > 43 72 O 0.83800867765943 0.66666666666667 0.96916435587737 15.999 > 43 73 Zn 0.95646126351577 0.00000000000000 0.40912904241558 65.380 > 73 74 Zn 0.95646126351577 0.33333333333333 0.40912904241558 65.380 > 73 75 Zn 0.95646126351577 0.66666666666667 0.40912904241558 65.380 > 73 76 Zn 0.95646126351577 0.00000000000000 0.90912904241558 65.380 > 73 77 Zn 0.95646126351577 0.33333333333333 0.90912904241558 65.380 > 73 78 Zn 0.95646126351577 0.66666666666667 0.90912904241558 65.380 > 73 79 Zn 0.04353873648423 0.00000000000000 0.09087095758442 65.380 > 79 80 Zn 0.04353873648423 0.33333333333333 0.09087095758442 65.380 > 79 81 Zn 0.04353873648423 0.66666666666667 0.09087095758442 65.380 > 79 82 Zn 0.04353873648423 0.00000000000000 0.59087095758442 65.380 > 79 83 Zn 0.04353873648423 0.33333333333333 0.59087095758442 65.380 > 79 84 Zn 0.04353873648423 0.66666666666667 0.59087095758442 65.380 > 79 85 Zn 0.45646126351577 0.16666666666667 0.40912904241558 65.380 > 73 86 Zn 0.45646126351577 0.50000000000000 0.40912904241558 65.380 > 73 87 Zn 0.45646126351577 0.83333333333333 0.40912904241558 65.380 > 73 88 Zn 0.45646126351577 0.16666666666667 0.90912904241558 65.380 > 73 89 Zn 0.45646126351577 0.50000000000000 0.90912904241558 65.380 > 73 90 Zn 0.45646126351577 0.83333333333333 0.90912904241558 65.380 > 73 91 Zn 0.54353873648423 0.16666666666667 0.09087095758442 65.380 > 79 92 Zn 0.54353873648423 0.50000000000000 0.09087095758442 65.380 > 79 93 Zn 0.54353873648423 0.83333333333333 0.09087095758442 65.380 > 79 94 Zn 0.54353873648423 0.16666666666667 0.59087095758442 65.380 > 79 95 Zn 0.54353873648423 0.50000000000000 0.59087095758442 65.380 > 79 96 Zn 0.54353873648423 0.83333333333333 0.59087095758442 65.380 > 79 97 K 0.16401100504135 0.00000000000000 0.31525853740775 39.098 > 97 98 K 0.16401100504135 0.33333333333333 0.31525853740775 39.098 > 97 99 K 0.16401100504135 0.66666666666667 0.31525853740775 39.098 > 97 100 K 0.16401100504135 0.00000000000000 0.81525853740775 39.098 > 97 101 K 0.16401100504135 0.33333333333333 0.81525853740775 39.098 > 97 102 K 0.16401100504135 0.66666666666667 0.81525853740775 39.098 > 97 103 K 0.83598899495865 0.00000000000000 0.18474146259225 39.098 > 103 104 K 0.83598899495865 0.33333333333333 0.18474146259225 39.098 > 103 105 K 0.83598899495865 0.66666666666667 0.18474146259225 39.098 > 103 106 K 0.83598899495865 0.00000000000000 0.68474146259225 39.098 > 103 107 K 0.83598899495865 0.33333333333333 0.68474146259225 39.098 > 103 108 K 0.83598899495865 0.66666666666667 0.68474146259225 39.098 > 103 109 K 0.66401100504135 0.16666666666667 0.31525853740775 39.098 > 97 110 K 0.66401100504135 0.50000000000000 0.31525853740775 39.098 > 97 111 K 0.66401100504135 0.83333333333333 0.31525853740775 39.098 > 97 112 K 0.66401100504135 0.16666666666667 0.81525853740775 39.098 > 97 113 K 0.66401100504135 0.50000000000000 0.81525853740775 39.098 > 97 114 K 0.66401100504135 0.83333333333333 0.81525853740775 39.098 > 97 115 K 0.33598899495865 0.16666666666667 0.18474146259225 39.098 > 103 116 K 0.33598899495865 0.50000000000000 0.18474146259225 39.098 > 103 117 K 0.33598899495865 0.83333333333333 0.18474146259225 39.098 > 103 118 K 0.33598899495865 0.16666666666667 0.68474146259225 39.098 > 103 119 K 0.33598899495865 0.50000000000000 0.68474146259225 39.098 > 103 120 K 0.33598899495865 0.83333333333333 0.68474146259225 39.098 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3726072 0.0000000 -0.0350907 0.0000000 3.7237877 0.0000000 -0.0350901 0.0000000 3.4164730 -------------------------- Born effective charges -------------------------- 1 Li 1.1167127 0.0000000 0.0352637 0.0000000 0.9268155 0.0000000 0.0557378 0.0000000 0.6967389 2 Li 1.1167127 0.0000000 0.0352637 0.0000000 0.9268155 0.0000000 0.0557378 0.0000000 0.6967389 3 O -1.5401530 0.0000000 0.0962010 0.0000000 -2.5890068 0.0000000 0.1596498 0.0000000 -1.8248212 4 O -1.5401530 0.0000000 0.0962010 0.0000000 -2.5890068 0.0000000 0.1596498 0.0000000 -1.8248212 5 O -2.2503107 0.0000000 0.0006835 0.0000000 -1.6272252 0.0000000 -0.0761329 0.0000000 -1.7942924 6 O -2.2503107 0.0000000 0.0006835 0.0000000 -1.6272252 0.0000000 -0.0761329 0.0000000 -1.7942924 7 Zn 1.4856575 0.0000000 -0.1800442 0.0000000 2.1984945 0.0000000 -0.1853270 0.0000000 1.5451204 8 Zn 1.4856575 0.0000000 -0.1800442 0.0000000 2.1984945 0.0000000 -0.1853270 0.0000000 1.5451204 9 K 1.1880934 0.0000000 0.0478960 0.0000000 1.0909219 0.0000000 0.0460724 0.0000000 1.3772543 10 K 1.1880934 0.0000000 0.0478960 0.0000000 1.0909219 0.0000000 0.0460724 0.0000000 1.3772543 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yzy) 0.00000002 (yzy) 0.00000002 (yyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 16 16 7 ] 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: 0.82, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/481) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 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 2.376 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.764 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 6.841 ( 0.000 0.000 0.000) 0.000 6.893 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 8.306 ( 0.000 0.000 0.000) 0.000 8.770 ( 0.000 0.000 0.000) 0.000 8.772 ( 0.000 0.000 0.000) 0.000 11.148 ( 0.000 0.000 0.000) 0.000 11.734 ( 0.000 0.000 0.000) 0.000 12.084 ( 0.000 0.000 0.000) 0.000 12.918 ( 0.000 0.000 0.000) 0.000 12.939 ( 0.000 0.000 0.000) 0.000 13.055 ( 0.000 0.000 0.000) 0.000 13.697 ( 0.000 0.000 0.000) 0.000 15.269 ( 0.000 0.000 0.000) 0.000 16.173 ( 0.000 0.000 0.000) 0.000 16.452 ( 0.000 0.000 0.000) 0.000 16.569 ( 0.000 0.000 0.000) 0.000 17.943 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/481) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 13.330 -17.673 7.808) 23.473 0.620 ( 15.898 -27.240 5.175) 31.961 1.181 ( 11.587 -57.397 3.704) 58.672 2.522 ( 2.099 -13.802 0.947) 13.993 3.020 ( 0.855 -9.739 -0.952) 9.823 3.349 ( -14.935 -7.382 0.369) 16.664 3.438 ( -4.666 -5.534 -8.170) 10.915 3.712 ( 24.743 3.727 -4.066) 25.351 4.294 ( -1.808 -1.024 -0.925) 2.274 4.787 ( -2.761 2.943 15.836) 16.342 5.185 ( 3.015 0.683 -1.402) 3.395 5.735 ( 1.384 0.801 1.252) 2.031 6.854 ( -4.732 2.359 1.195) 5.421 6.993 ( -0.617 0.535 -4.569) 4.641 7.745 ( 21.407 3.589 30.769) 37.654 8.287 ( -1.941 1.478 1.188) 2.714 8.814 ( 1.676 -3.614 1.381) 4.216 8.896 ( 1.182 -12.566 -0.445) 12.629 11.144 ( 1.897 0.639 -2.680) 3.345 11.722 ( -2.212 0.622 1.235) 2.609 12.107 ( 3.609 -0.757 -0.507) 3.723 12.847 ( -3.786 6.107 0.890) 7.240 12.993 ( 0.489 -4.957 -0.102) 4.983 13.662 ( -15.025 -9.568 -7.618) 19.373 14.879 ( 18.975 16.931 6.168) 26.168 15.370 ( -3.003 -7.655 5.643) 9.973 16.128 ( 4.526 5.946 -1.090) 7.552 16.547 ( 2.475 3.206 0.117) 4.052 17.960 ( -2.641 -2.723 -0.384) 3.813 18.810 ( -18.226 -12.991 -30.196) 37.586 ======================= Grid point 2 (3/481) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 11.558 -23.971 4.909) 27.061 1.233 ( 13.792 -26.903 5.018) 30.646 2.272 ( 8.962 -50.648 1.154) 51.448 2.871 ( 5.910 -18.517 3.663) 19.780 3.231 ( 2.053 -11.741 -4.463) 12.727 3.385 ( -3.770 -2.824 3.995) 6.176 3.576 ( -7.484 -14.662 -6.485) 17.693 3.804 ( 5.789 -5.647 -3.615) 8.858 4.315 ( -3.444 -3.694 -1.312) 5.218 4.767 ( -6.233 0.485 8.475) 10.532 5.182 ( 3.694 0.932 -3.007) 4.854 5.745 ( 2.537 -0.301 2.048) 3.275 6.771 ( -5.499 3.461 0.472) 6.515 6.926 ( 6.536 7.944 2.437) 10.571 7.971 ( 4.550 -11.956 8.331) 15.266 8.247 ( -2.732 1.835 3.147) 4.553 8.928 ( 1.528 -6.557 2.237) 7.094 9.219 ( 2.895 -19.942 -1.074) 20.180 11.135 ( 1.495 0.440 -1.982) 2.521 11.705 ( -2.802 -0.202 1.454) 3.163 12.152 ( 1.440 -2.995 -2.388) 4.092 12.679 ( -3.217 9.219 1.630) 9.899 13.085 ( 1.631 -3.318 -1.049) 3.843 13.786 ( -6.046 -12.859 -5.109) 15.100 14.679 ( 6.834 13.534 1.926) 15.283 15.501 ( -9.076 -7.088 7.656) 13.829 16.010 ( 7.441 9.338 -1.973) 12.102 16.475 ( 2.585 6.332 0.634) 6.868 18.011 ( -2.981 -4.543 -0.645) 5.472 18.858 ( -4.873 -6.892 -13.937) 16.294 ======================= Grid point 3 (4/481) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 9.870 -26.226 3.104) 28.193 1.806 ( 10.842 -24.514 4.845) 27.239 3.062 ( 4.207 -23.756 -3.956) 24.448 3.268 ( 5.248 -21.203 2.036) 21.938 3.380 ( -0.758 -3.312 -0.795) 3.490 3.607 ( 5.127 -23.470 5.282) 24.598 3.794 ( -3.097 -12.383 -3.258) 13.173 3.980 ( 0.548 -12.362 -4.464) 13.154 4.395 ( -4.933 -8.169 -1.396) 9.645 4.764 ( -8.385 -2.591 5.598) 10.409 5.180 ( 3.233 -0.186 -4.033) 5.172 5.790 ( 2.285 -2.223 1.866) 3.694 6.670 ( -5.569 3.681 -0.848) 6.729 6.798 ( 8.626 11.315 4.389) 14.890 8.207 ( -0.461 -0.285 -1.705) 1.789 8.282 ( -2.310 -15.437 6.964) 17.092 9.076 ( -0.071 -7.459 2.279) 7.800 9.625 ( 4.466 -20.531 -1.897) 21.096 11.137 ( 1.691 -0.359 -1.596) 2.353 11.724 ( -2.696 -3.557 1.299) 4.648 12.219 ( -3.450 -5.565 -3.868) 7.605 12.508 ( 0.145 7.701 2.660) 8.149 13.120 ( 3.066 -0.061 -2.114) 3.724 14.019 ( -1.715 -14.310 -2.526) 14.632 14.468 ( 1.869 12.226 0.710) 12.388 15.567 ( -14.895 -3.679 11.719) 19.306 15.881 ( 11.213 7.568 -7.043) 15.252 16.347 ( 0.653 8.497 1.425) 8.641 18.085 ( -1.300 -4.666 -0.673) 4.890 18.910 ( 0.026 -3.844 -7.889) 8.775 ======================= Grid point 4 (5/481) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 7.840 -23.665 2.003) 25.010 2.289 ( 7.674 -19.350 4.484) 21.294 3.335 ( 7.722 -9.700 -0.855) 12.427 3.386 ( -1.846 0.081 -0.566) 1.932 3.689 ( -3.900 -20.456 -4.531) 21.311 3.971 ( -1.348 -9.754 -0.140) 9.848 4.154 ( 7.031 -15.793 3.099) 17.564 4.214 ( 4.699 -17.473 -1.437) 18.151 4.570 ( -4.953 -14.529 -0.774) 15.369 4.815 ( -9.472 -7.072 2.653) 12.115 5.215 ( 3.134 -3.286 -3.523) 5.747 5.860 ( 0.134 -3.794 0.969) 3.918 6.568 ( -4.826 3.701 -0.776) 6.131 6.645 ( 8.949 11.530 3.408) 14.988 8.199 ( 0.010 0.103 1.811) 1.814 8.604 ( -2.645 -18.378 0.267) 18.569 9.198 ( -1.435 -4.871 1.428) 5.275 9.988 ( 5.072 -15.416 -2.727) 16.456 11.152 ( 1.371 -0.447 -0.995) 1.752 11.830 ( -2.434 -8.853 1.803) 9.357 12.241 ( -3.413 0.534 -3.232) 4.730 12.488 ( -1.223 -6.284 1.268) 6.526 13.138 ( 5.013 -0.697 -1.514) 5.283 14.228 ( 0.838 -5.424 -0.565) 5.517 14.247 ( 0.368 9.895 -0.135) 9.903 15.553 ( -15.921 -0.952 12.253) 20.113 15.832 ( 10.397 1.600 -9.852) 14.412 16.184 ( -1.509 8.994 2.339) 9.415 18.156 ( 0.687 -3.192 -0.503) 3.303 18.944 ( 2.142 -1.259 -4.562) 5.194 ======================= Grid point 5 (6/481) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 4.891 -15.441 0.806) 16.217 2.654 ( 5.690 -14.680 4.194) 16.293 3.351 ( -2.154 1.520 -1.749) 3.164 3.590 ( 7.661 -12.299 1.819) 14.604 3.967 ( -3.598 -13.984 -5.371) 15.406 4.104 ( -0.204 -4.250 -0.260) 4.263 4.329 ( 3.561 -6.566 -1.954) 7.721 4.590 ( 2.233 -15.608 2.160) 15.915 4.805 ( -5.897 -8.350 3.603) 10.839 4.971 ( -2.488 -14.928 -2.316) 15.310 5.319 ( 2.420 -6.610 -1.492) 7.195 5.935 ( -2.533 -4.683 0.225) 5.329 6.462 ( 2.534 7.989 4.899) 9.708 6.515 ( 2.196 5.141 -3.656) 6.679 8.219 ( 1.327 -1.259 1.327) 2.260 8.939 ( -1.966 -19.105 -1.595) 19.272 9.240 ( -1.645 -0.310 0.202) 1.686 10.231 ( 4.793 -8.370 -2.913) 10.075 11.152 ( -0.109 0.763 -0.001) 0.771 11.983 ( -1.276 -4.499 2.386) 5.250 12.254 ( -1.217 -8.580 -2.429) 9.000 12.660 ( -3.266 -11.220 -0.326) 11.690 13.212 ( 5.164 -4.345 0.027) 6.748 14.001 ( -3.475 12.338 -0.544) 12.830 14.320 ( 6.493 -0.114 0.333) 6.502 15.515 ( -13.166 -0.311 6.575) 14.719 15.861 ( 5.773 -2.084 -7.313) 9.547 16.025 ( -2.193 7.159 3.557) 8.289 18.203 ( 1.860 -1.096 -0.264) 2.175 18.952 ( 2.845 0.677 -2.537) 3.872 ======================= Grid point 6 (7/481) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 2.271 -6.182 -0.088) 6.587 2.942 ( 3.626 -11.351 3.773) 12.500 3.301 ( -1.242 1.865 -2.035) 3.027 3.872 ( 6.056 -11.842 2.408) 13.516 4.133 ( -2.439 -1.432 0.415) 2.858 4.164 ( 0.211 -9.393 -5.082) 10.682 4.459 ( 3.663 -5.720 -1.555) 6.968 4.825 ( -3.374 -4.973 -1.010) 6.094 4.893 ( -4.357 -8.971 2.586) 10.302 5.220 ( 2.973 -9.781 0.220) 10.225 5.459 ( 0.050 -7.418 -0.021) 7.418 6.004 ( -3.559 -4.357 0.131) 5.627 6.346 ( 6.917 8.580 4.556) 11.925 6.444 ( -2.744 1.164 -5.054) 5.868 8.267 ( 1.946 -2.367 0.524) 3.109 9.196 ( 1.908 3.209 -0.864) 3.832 9.291 ( -3.927 -19.650 -1.963) 20.135 10.332 ( 3.933 -0.325 -2.193) 4.515 11.126 ( -1.285 1.369 0.914) 2.089 12.000 ( 0.348 0.436 0.501) 0.750 12.521 ( -1.517 -18.190 -0.860) 18.273 12.831 ( -1.005 -8.345 0.294) 8.410 13.330 ( 2.305 -4.183 0.826) 4.847 13.744 ( -4.195 12.103 -0.935) 12.843 14.364 ( 8.781 -1.031 0.485) 8.855 15.438 ( -9.826 3.101 1.915) 10.480 15.854 ( -2.201 2.894 -1.893) 4.099 15.983 ( 2.206 -2.075 1.242) 3.273 18.219 ( 1.976 0.450 -0.068) 2.028 18.939 ( 2.596 1.506 -1.293) 3.268 ======================= Grid point 7 (8/481) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 0.789 -1.793 -0.297) 1.981 3.132 ( 0.621 -6.338 3.028) 7.052 3.258 ( 0.395 1.742 -2.115) 2.768 4.073 ( 5.432 -3.943 -1.023) 6.790 4.141 ( -2.801 -2.513 3.138) 4.899 4.313 ( -0.251 -7.228 -3.018) 7.836 4.577 ( 4.274 -4.777 -0.758) 6.455 4.808 ( -5.500 1.109 -0.700) 5.654 5.018 ( -1.684 -3.439 -0.202) 3.834 5.391 ( 4.251 -6.726 2.126) 8.235 5.569 ( -2.479 -4.033 0.007) 4.734 6.054 ( -2.110 -2.483 0.377) 3.280 6.261 ( 5.026 5.089 1.792) 7.373 6.400 ( -2.701 0.415 -3.270) 4.262 8.323 ( 1.420 -2.112 0.068) 2.546 9.128 ( 0.488 3.390 -0.553) 3.469 9.636 ( -1.518 -18.457 -1.944) 18.621 10.266 ( 2.348 8.517 -0.731) 8.865 11.107 ( -0.886 0.175 0.851) 1.241 12.004 ( 0.785 -0.342 -0.121) 0.865 12.837 ( -1.681 -15.318 -0.380) 15.415 12.974 ( 0.929 -7.120 0.913) 7.238 13.350 ( 0.370 3.371 0.632) 3.449 13.510 ( -3.011 9.610 -0.937) 10.114 14.480 ( 7.353 -5.237 0.247) 9.030 15.310 ( -6.595 5.049 0.326) 8.312 15.790 ( -1.857 1.793 -0.172) 2.587 16.044 ( 1.056 -2.262 0.227) 2.507 18.215 ( 1.230 0.742 0.016) 1.436 18.922 ( 1.558 1.137 -0.527) 2.000 ======================= Grid point 8 (9/481) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 0.000 -0.000 -0.000) 0.000 3.213 ( 0.000 0.000 -0.000) 0.000 3.223 ( -0.000 -0.000 0.000) 0.000 4.099 ( 0.000 -0.000 -0.000) 0.000 4.187 ( 0.000 -0.000 0.000) 0.000 4.382 ( 0.000 -0.000 -0.000) 0.000 4.656 ( 0.000 -0.000 0.000) 0.000 4.758 ( -0.000 0.000 0.000) 0.000 5.033 ( 0.000 -0.000 0.000) 0.000 5.500 ( 0.000 -0.000 0.000) 0.000 5.577 ( 0.000 -0.000 -0.000) 0.000 6.072 ( 0.000 -0.000 0.000) 0.000 6.231 ( 0.000 -0.000 -0.000) 0.000 6.381 ( 0.000 -0.000 0.000) 0.000 8.350 ( 0.000 -0.000 0.000) 0.000 9.094 ( 0.000 -0.000 0.000) 0.000 9.867 ( 0.000 -0.000 0.000) 0.000 10.123 ( 0.000 -0.000 0.000) 0.000 11.107 ( 0.000 -0.000 -0.000) 0.000 12.012 ( 0.000 -0.000 0.000) 0.000 12.995 ( 0.000 -0.000 0.000) 0.000 13.085 ( 0.000 0.000 0.000) 0.000 13.275 ( 0.000 -0.000 0.000) 0.000 13.393 ( 0.000 -0.000 0.000) 0.000 14.570 ( 0.000 -0.000 0.000) 0.000 15.229 ( 0.000 -0.000 -0.000) 0.000 15.768 ( 0.000 -0.000 -0.000) 0.000 16.069 ( 0.000 -0.000 0.000) 0.000 18.211 ( 0.000 -0.000 0.000) 0.000 18.915 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 18 (10/481) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 26.736 0.000 10.495) 28.722 0.404 ( 27.037 0.000 13.208) 30.091 0.735 ( 52.052 0.000 19.189) 55.476 2.393 ( 2.372 0.000 0.690) 2.471 2.874 ( -4.767 -0.000 -3.336) 5.818 3.124 ( 1.995 0.000 1.742) 2.649 3.393 ( -3.714 -0.000 -3.515) 5.113 3.956 ( 18.160 0.000 -42.264) 46.000 4.282 ( -0.476 -0.000 -2.960) 2.998 4.920 ( -28.199 -0.000 24.176) 37.143 5.302 ( 9.053 0.000 4.647) 10.176 5.764 ( 2.994 0.000 2.664) 4.007 6.828 ( -2.191 -0.000 -0.024) 2.191 6.863 ( -3.069 -0.000 -3.740) 4.838 8.288 ( -0.787 -0.000 -3.994) 4.070 8.771 ( 0.008 0.000 0.083) 0.084 8.782 ( -12.847 -0.000 25.814) 28.834 8.954 ( -35.985 -0.000 70.360) 79.028 11.166 ( 9.389 0.000 -17.353) 19.730 11.738 ( 0.437 0.000 0.274) 0.515 12.175 ( -5.099 -0.000 4.060) 6.518 12.903 ( -1.134 -0.000 -2.246) 2.516 12.938 ( -0.100 -0.000 -0.078) 0.127 13.058 ( 0.347 0.000 0.041) 0.350 15.246 ( -5.389 -0.000 2.862) 6.102 16.028 ( -46.071 -0.000 82.157) 94.193 16.451 ( -0.109 -0.000 -0.006) 0.109 16.572 ( 4.828 0.000 -7.256) 8.715 17.102 ( 96.586 0.000 -159.778) 186.703 17.943 ( 0.077 0.000 0.009) 0.077 ======================= Grid point 19 (11/481) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 22.616 -9.332 11.240) 26.924 0.920 ( 23.270 -22.565 8.542) 33.521 1.486 ( 31.257 -39.866 10.181) 51.672 2.573 ( 4.654 -15.532 2.229) 16.366 2.983 ( -4.477 -13.340 -4.586) 14.799 3.239 ( -3.199 -9.292 1.194) 9.900 3.360 ( -4.061 -1.439 -6.124) 7.488 3.832 ( 9.173 5.326 -15.304) 18.621 4.249 ( -4.366 -0.033 -1.961) 4.786 4.794 ( -14.557 3.231 15.928) 21.819 5.265 ( 9.757 5.574 -0.878) 11.271 5.784 ( 4.356 1.052 3.379) 5.613 6.786 ( -6.583 2.040 -1.632) 7.082 6.949 ( -2.281 -7.422 -3.628) 8.570 8.198 ( 13.646 18.378 -0.488) 22.896 8.307 ( -6.867 14.255 45.679) 48.342 8.853 ( 1.257 -5.018 2.567) 5.775 8.934 ( 7.065 -9.992 -0.437) 12.245 11.148 ( 3.049 0.786 -5.124) 6.014 11.708 ( -1.582 1.540 2.150) 3.081 12.133 ( 0.696 0.644 -2.625) 2.791 12.799 ( -4.660 5.583 1.955) 7.530 13.000 ( 1.048 -5.524 -0.370) 5.635 13.426 ( -11.738 -19.307 -8.950) 24.303 15.118 ( 10.080 22.817 1.462) 24.987 15.399 ( -3.833 6.730 17.194) 18.858 16.209 ( 9.528 6.837 -0.473) 11.736 16.604 ( 7.061 4.114 -0.137) 8.173 17.865 ( -10.391 -9.338 -8.661) 16.437 18.364 ( -6.553 -37.217 -36.986) 52.877 ======================= Grid point 20 (12/481) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 17.775 -18.385 6.735) 26.444 1.488 ( 21.403 -21.389 8.008) 31.301 2.423 ( 14.242 -40.449 2.292) 42.944 2.996 ( 9.454 -21.622 5.896) 24.324 3.204 ( 0.285 -11.597 -6.499) 13.297 3.386 ( -1.536 -6.550 5.113) 8.450 3.451 ( -5.963 -16.001 -7.504) 18.652 3.804 ( 1.395 -3.491 -8.043) 8.878 4.240 ( -7.634 -3.809 -2.388) 8.860 4.731 ( -10.279 0.957 10.811) 14.948 5.218 ( 5.898 3.347 -4.226) 7.990 5.804 ( 4.364 0.566 3.016) 5.335 6.689 ( -6.624 3.017 -4.066) 8.338 7.005 ( 2.725 1.996 3.538) 4.892 8.082 ( 4.261 -0.374 2.658) 5.036 8.265 ( -2.931 2.311 17.615) 18.006 8.968 ( 1.605 -5.424 3.709) 6.764 9.261 ( 5.982 -19.627 -1.965) 20.612 11.140 ( 2.160 0.187 -2.978) 3.683 11.686 ( -1.795 0.208 1.632) 2.435 12.118 ( -4.032 -1.441 -4.438) 6.167 12.661 ( -2.319 7.531 2.630) 8.307 13.105 ( 3.633 -3.456 -1.915) 5.368 13.674 ( -5.993 -17.710 -5.799) 19.576 14.775 ( 6.687 18.498 1.555) 19.731 15.428 ( -13.865 -5.165 10.845) 18.345 16.105 ( 9.773 9.876 -0.429) 13.901 16.521 ( 4.690 8.241 0.469) 9.493 17.948 ( -6.102 -7.619 -2.577) 10.096 18.701 ( -1.640 -15.246 -18.222) 23.815 ======================= Grid point 21 (13/481) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 13.967 -22.481 3.703) 26.724 2.010 ( 16.969 -19.384 7.510) 26.835 3.100 ( 4.918 -25.590 -1.606) 26.108 3.264 ( -0.403 -7.538 -6.190) 9.762 3.426 ( 3.907 -4.978 4.018) 7.496 3.687 ( -0.826 -20.483 0.923) 20.520 3.778 ( 7.300 -24.824 0.755) 25.886 3.941 ( -0.713 -13.011 -5.680) 14.215 4.300 ( -9.226 -9.141 -2.516) 13.229 4.708 ( -8.622 -1.132 8.371) 12.070 5.190 ( 3.592 0.435 -5.199) 6.334 5.832 ( 2.454 -0.529 1.834) 3.109 6.577 ( -6.242 2.959 -6.000) 9.151 6.937 ( 7.236 9.766 8.023) 14.563 8.173 ( -2.321 -5.373 -3.574) 6.858 8.328 ( -0.569 -6.829 12.571) 14.317 9.092 ( -0.329 -5.881 3.173) 6.690 9.672 ( 6.306 -20.216 -3.138) 21.408 11.149 ( 2.532 -0.531 -2.132) 3.353 11.704 ( -1.933 -3.342 1.264) 4.062 12.129 ( -6.810 -5.097 -4.457) 9.603 12.520 ( -1.703 6.580 2.287) 7.172 13.158 ( 6.392 -0.557 -2.493) 6.883 13.982 ( -1.387 -17.708 -2.463) 17.932 14.495 ( 1.829 14.862 0.596) 14.986 15.459 ( -16.602 -3.435 10.999) 20.209 15.972 ( 10.637 9.049 -4.159) 14.572 16.365 ( 0.601 10.030 1.708) 10.192 18.057 ( -2.248 -6.953 -1.383) 7.437 18.861 ( 2.098 -7.282 -9.801) 12.389 ======================= Grid point 22 (14/481) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 10.393 -20.444 1.999) 23.021 2.443 ( 12.213 -15.052 6.982) 20.603 3.328 ( -2.419 -2.528 -4.143) 5.423 3.450 ( 8.495 -8.966 0.900) 12.384 3.624 ( -2.741 -17.047 -3.228) 17.565 3.954 ( -0.995 -11.678 -1.069) 11.769 4.175 ( 1.286 -11.806 -5.078) 12.916 4.301 ( 3.093 -18.140 3.150) 18.670 4.511 ( -2.801 -19.659 0.454) 19.863 4.741 ( -7.411 -5.492 5.463) 10.720 5.222 ( 2.505 -3.868 -4.275) 6.286 5.864 ( -0.462 -1.878 0.632) 2.035 6.473 ( -5.496 2.021 -7.172) 9.259 6.799 ( 8.863 12.522 8.894) 17.733 8.216 ( 0.531 -1.200 1.888) 2.300 8.578 ( -2.459 -16.536 1.642) 16.798 9.190 ( -1.833 -3.959 1.698) 4.682 10.032 ( 6.019 -14.992 -4.000) 16.643 11.163 ( 1.957 0.165 -1.417) 2.422 11.817 ( -2.019 -9.407 2.162) 9.861 12.177 ( -3.642 -3.009 -3.415) 5.829 12.461 ( -4.484 -3.863 0.656) 5.955 13.204 ( 7.819 -0.908 -1.217) 7.965 14.206 ( -2.962 6.175 -0.135) 6.850 14.280 ( 4.568 -2.929 -0.725) 5.475 15.440 ( -16.113 -1.394 9.891) 18.958 15.886 ( 8.511 3.893 -6.907) 11.632 16.182 ( -1.973 9.526 3.115) 10.215 18.158 ( 0.286 -4.559 -0.723) 4.625 18.944 ( 3.700 -2.695 -5.445) 7.113 ======================= Grid point 23 (15/481) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 6.390 -12.336 0.677) 13.909 2.770 ( 7.979 -11.694 6.192) 15.452 3.310 ( -2.108 0.698 -2.871) 3.630 3.692 ( 7.762 -11.581 1.208) 13.994 3.899 ( -2.865 -14.409 -3.779) 15.170 4.102 ( 1.113 -4.530 -1.753) 4.983 4.349 ( 3.206 -7.612 -3.405) 8.934 4.586 ( -3.918 -15.190 0.447) 15.694 4.759 ( -6.907 -5.509 5.170) 10.236 4.964 ( 1.582 -17.629 0.471) 17.706 5.329 ( 1.466 -6.858 -2.424) 7.420 5.907 ( -2.415 -3.559 0.096) 4.302 6.394 ( -4.402 0.668 -7.332) 8.578 6.640 ( 8.491 12.651 7.769) 17.102 8.254 ( 2.906 -1.235 1.689) 3.581 8.900 ( -2.786 -19.052 -1.377) 19.303 9.223 ( -1.435 -0.429 -0.057) 1.498 10.268 ( 5.315 -8.104 -3.742) 10.389 11.149 ( -0.255 1.458 -0.216) 1.496 11.987 ( -1.044 -4.918 2.921) 5.814 12.222 ( -1.069 -9.329 -2.961) 9.846 12.615 ( -4.056 -12.697 -0.216) 13.331 13.279 ( 6.166 -2.891 0.290) 6.816 13.954 ( -3.787 13.072 -0.648) 13.625 14.402 ( 7.278 -1.939 0.172) 7.534 15.400 ( -13.387 -0.629 5.403) 14.450 15.866 ( 2.824 0.660 -5.921) 6.593 16.032 ( -0.987 5.662 4.001) 7.003 18.220 ( 1.241 -1.675 -0.266) 2.102 18.974 ( 4.104 0.314 -2.960) 5.070 ======================= Grid point 24 (16/481) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 3.031 -4.360 -0.039) 5.310 3.015 ( 3.672 -8.533 5.048) 10.572 3.277 ( -0.210 0.954 -2.521) 2.704 3.959 ( 6.379 -11.160 1.985) 13.007 4.086 ( -3.986 -6.768 -1.104) 7.931 4.162 ( 3.684 -4.263 -4.401) 7.149 4.492 ( 4.205 -6.467 -1.565) 7.871 4.768 ( -5.742 -2.313 0.363) 6.201 4.854 ( -4.821 -11.364 1.685) 12.459 5.251 ( 0.654 -11.499 1.628) 11.632 5.454 ( -0.400 -6.270 -1.200) 6.396 5.971 ( -2.017 -4.514 0.266) 4.951 6.350 ( -2.496 -0.519 -6.189) 6.694 6.480 ( 6.049 11.186 5.248) 13.757 8.305 ( 4.014 -1.573 0.565) 4.347 9.150 ( -7.603 -2.756 -0.642) 8.112 9.287 ( 4.300 -14.603 -2.366) 15.405 10.364 ( 4.113 0.088 -2.464) 4.795 11.115 ( -1.580 1.276 0.781) 2.176 12.010 ( 0.700 0.295 0.556) 0.942 12.498 ( -1.340 -18.272 -0.997) 18.348 12.822 ( -0.914 -10.278 0.538) 10.333 13.365 ( 2.612 -2.208 0.989) 3.560 13.691 ( -3.822 11.984 -1.054) 12.623 14.469 ( 8.687 -1.240 0.372) 8.783 15.332 ( -10.299 1.962 1.581) 10.602 15.817 ( -2.364 2.573 -1.341) 3.743 16.014 ( 1.719 -1.321 1.300) 2.528 18.236 ( 1.003 0.441 0.007) 1.095 18.966 ( 3.658 1.887 -1.502) 4.382 ======================= Grid point 25 (17/481) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 1.190 -0.987 -0.006) 1.547 3.158 ( -0.047 -4.282 3.782) 5.713 3.256 ( 1.776 1.139 -2.245) 3.081 4.103 ( -0.526 0.130 -0.453) 0.706 4.160 ( 4.067 -4.667 1.621) 6.400 4.296 ( 1.281 -7.788 -3.606) 8.678 4.626 ( 4.648 -4.647 -0.003) 6.572 4.735 ( -6.621 0.221 -0.139) 6.626 4.995 ( -2.466 -4.562 0.508) 5.211 5.436 ( 1.401 -7.659 1.504) 7.930 5.530 ( -3.702 -2.967 -0.607) 4.783 6.041 ( -0.380 -3.149 0.258) 3.182 6.323 ( 4.158 6.793 0.421) 7.976 6.357 ( -1.512 -0.322 -1.505) 2.158 8.353 ( 3.760 -0.716 -0.134) 3.830 9.096 ( -5.284 1.544 -0.526) 5.529 9.626 ( 2.081 -17.835 -2.001) 18.067 10.289 ( 2.281 9.010 -0.511) 9.308 11.101 ( -1.007 -0.250 0.551) 1.174 12.015 ( 1.122 0.016 -0.069) 1.124 12.816 ( -1.393 -15.625 -0.472) 15.694 12.991 ( 0.895 -7.669 0.990) 7.785 13.352 ( -0.708 5.054 0.274) 5.111 13.483 ( -0.786 7.500 -0.508) 7.558 14.558 ( 5.758 -2.455 0.104) 6.261 15.235 ( -6.339 2.259 0.225) 6.733 15.769 ( -1.525 0.763 0.000) 1.706 16.057 ( 0.777 -1.484 0.359) 1.713 18.223 ( 0.062 1.087 0.094) 1.093 18.942 ( 2.496 2.052 -0.645) 3.295 ======================= Grid point 26 (18/481) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 0.304 0.447 0.328) 0.633 3.214 ( -0.459 1.385 1.020) 1.780 3.229 ( 1.132 -0.186 -0.421) 1.222 4.087 ( -2.345 0.731 1.301) 2.780 4.202 ( 3.781 1.889 -2.669) 4.999 4.389 ( 1.352 -0.827 -0.070) 1.586 4.625 ( -4.855 3.019 0.311) 5.725 4.786 ( 3.802 -4.641 0.871) 6.063 5.028 ( -1.135 -1.238 0.668) 1.807 5.466 ( -3.966 4.317 -1.826) 6.140 5.587 ( 0.575 -3.816 0.789) 3.939 6.076 ( 0.922 -0.592 -0.235) 1.121 6.225 ( -0.834 3.482 -0.123) 3.582 6.396 ( 1.996 -2.390 0.633) 3.177 8.363 ( 2.379 1.705 -0.294) 2.942 9.061 ( -5.273 -1.655 -0.000) 5.527 9.887 ( 3.545 -2.336 -0.477) 4.272 10.122 ( -0.717 2.849 0.763) 3.035 11.105 ( -0.142 -0.279 -0.337) 0.460 12.013 ( 0.256 0.660 0.042) 0.709 12.994 ( -0.116 -1.375 -0.032) 1.380 13.086 ( 0.193 1.936 -0.055) 1.947 13.262 ( -1.487 -1.361 -0.648) 2.117 13.414 ( 2.843 -0.915 0.789) 3.089 14.553 ( -2.687 4.876 -0.171) 5.570 15.236 ( 1.201 -4.561 -0.039) 4.717 15.770 ( 0.302 -1.104 0.195) 1.161 16.069 ( -0.113 0.615 0.066) 0.629 18.204 ( -1.101 0.456 0.070) 1.193 18.920 ( 0.913 1.114 -0.111) 1.445 ======================= Grid point 27 (19/481) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -0.524 2.517 0.364) 2.597 3.105 ( -1.015 8.199 -1.943) 8.487 3.274 ( 0.807 -2.288 1.793) 3.017 4.018 ( -4.406 6.587 0.110) 7.926 4.159 ( 3.709 2.217 -2.778) 5.137 4.341 ( 1.297 6.351 2.624) 6.993 4.531 ( -4.746 4.034 0.696) 6.268 4.875 ( 4.958 -1.236 1.522) 5.332 5.035 ( 0.729 2.523 0.494) 2.672 5.315 ( -5.937 6.111 -2.323) 8.832 5.589 ( 1.425 4.508 -0.526) 4.757 6.082 ( 2.863 1.342 -0.257) 3.172 6.188 ( -5.038 -1.891 -1.968) 5.730 6.457 ( 3.125 -1.651 3.363) 4.879 8.318 ( 0.628 3.542 -0.305) 3.610 9.098 ( -4.798 -4.869 0.545) 6.857 9.682 ( 3.981 18.440 1.592) 18.932 10.245 ( -2.057 -8.030 0.797) 8.327 11.110 ( 0.645 -0.609 -0.971) 1.315 11.998 ( -0.432 0.636 0.140) 0.782 12.859 ( 1.693 15.080 0.233) 15.177 12.958 ( -0.868 6.457 -0.704) 6.553 13.338 ( -0.785 -3.131 -0.642) 3.291 13.561 ( 4.429 -10.116 1.000) 11.088 14.388 ( -7.854 7.160 -0.337) 10.634 15.380 ( 5.732 -7.186 -0.396) 9.201 15.813 ( 1.866 -2.731 0.273) 3.318 16.030 ( -1.174 3.148 -0.050) 3.360 18.196 ( -2.002 -0.438 0.054) 2.050 18.913 ( -0.561 -0.245 0.343) 0.702 ======================= Grid point 28 (20/481) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -1.515 7.569 0.025) 7.719 2.885 ( -2.699 13.200 -2.325) 13.672 3.331 ( 1.695 -2.281 1.603) 3.263 3.791 ( -4.771 13.188 -2.455) 14.237 4.149 ( 1.661 1.012 0.102) 1.947 4.215 ( 2.337 9.125 4.239) 10.329 4.423 ( -3.833 5.233 0.558) 6.510 4.839 ( -2.095 11.890 0.158) 12.074 4.929 ( 5.219 3.882 -2.446) 6.949 5.195 ( -1.922 6.012 1.955) 6.607 5.457 ( 0.202 8.813 -0.625) 8.838 6.045 ( 3.350 4.445 -0.124) 5.567 6.227 ( -7.147 -7.124 -4.795) 11.172 6.515 ( 2.962 -1.287 4.791) 5.777 8.251 ( -0.302 3.140 -0.531) 3.199 9.158 ( -4.556 -1.904 1.062) 5.050 9.363 ( 5.312 17.014 1.197) 17.864 10.304 ( -3.038 0.820 1.639) 3.548 11.133 ( 0.853 -1.424 -0.843) 1.862 11.995 ( -0.074 -0.525 -0.386) 0.656 12.543 ( 1.354 18.036 0.616) 18.097 12.841 ( 0.886 6.577 -0.089) 6.637 13.301 ( -1.744 5.899 -0.589) 6.180 13.800 ( 4.391 -11.751 0.760) 12.567 14.262 ( -8.034 0.440 -0.495) 8.061 15.531 ( 8.285 -4.427 -2.015) 9.607 15.890 ( 1.033 -2.606 2.874) 4.015 15.948 ( -1.854 2.576 -1.731) 3.615 18.194 ( -2.253 -0.498 0.111) 2.311 18.923 ( -1.450 -1.145 0.911) 2.060 ======================= Grid point 29 (21/481) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -3.188 17.992 -0.794) 18.289 2.585 ( -2.847 16.193 -2.086) 16.574 3.382 ( 1.898 -1.359 0.636) 2.419 3.499 ( -5.798 12.734 -1.377) 14.059 4.051 ( 3.773 12.650 6.676) 14.793 4.112 ( 1.528 4.878 -0.844) 5.181 4.290 ( -3.884 6.551 -0.441) 7.629 4.518 ( -5.991 17.413 -2.978) 18.654 4.847 ( 4.260 10.063 -1.691) 11.058 5.039 ( 4.875 10.782 3.014) 12.210 5.298 ( -2.335 6.767 0.821) 7.206 5.959 ( 1.734 5.983 -0.284) 6.236 6.339 ( -6.570 -10.869 -6.384) 14.214 6.576 ( 2.367 -1.921 4.916) 5.785 8.204 ( -0.173 1.411 -0.920) 1.694 8.964 ( 0.670 17.646 1.293) 17.706 9.258 ( 1.582 1.233 -0.237) 2.020 10.199 ( -3.322 8.778 1.827) 9.562 11.152 ( 0.007 -0.315 -0.099) 0.330 11.984 ( 1.120 3.888 -1.575) 4.342 12.281 ( 1.021 7.988 1.601) 8.211 12.692 ( 1.956 10.886 0.244) 11.063 13.162 ( -3.398 5.010 0.139) 6.055 14.042 ( 3.064 -11.309 0.432) 11.724 14.250 ( -5.150 -1.779 -0.369) 5.461 15.616 ( 12.163 0.001 -7.443) 14.259 15.830 ( -7.969 3.321 7.696) 11.566 16.033 ( 2.196 -7.324 -2.075) 7.923 18.183 ( -1.701 0.586 0.209) 1.811 18.941 ( -1.554 -1.030 1.695) 2.520 ======================= Grid point 30 (22/481) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -4.297 25.970 -1.317) 26.356 2.205 ( -3.303 22.412 -2.040) 22.745 3.257 ( -4.918 8.754 -0.165) 10.042 3.413 ( 1.384 0.193 0.432) 1.463 3.773 ( 4.613 23.550 5.558) 24.633 3.986 ( 1.299 8.242 -0.601) 8.365 4.019 ( -8.614 22.340 -5.472) 24.561 4.197 ( -2.017 10.151 1.978) 10.537 4.619 ( 2.768 13.112 0.292) 13.405 4.903 ( 6.756 8.213 -0.956) 10.678 5.201 ( -2.365 2.612 2.380) 4.252 5.851 ( -0.263 5.413 -0.710) 5.466 6.503 ( -4.338 -12.031 -6.429) 14.314 6.649 ( 1.218 -3.106 4.377) 5.503 8.192 ( 0.395 -0.455 -1.060) 1.219 8.628 ( 1.411 18.860 0.135) 18.913 9.204 ( 0.837 5.529 -0.821) 5.652 9.955 ( -2.898 15.795 1.373) 16.117 11.145 ( -0.713 0.742 0.500) 1.144 11.846 ( 1.756 8.276 -1.061) 8.527 12.295 ( 2.404 -4.379 2.370) 5.529 12.479 ( -0.775 10.188 -1.381) 10.310 13.106 ( -2.160 0.071 1.076) 2.414 14.209 ( -1.698 4.653 0.400) 4.969 14.259 ( 1.036 -10.132 0.013) 10.185 15.645 ( 15.091 0.635 -14.128) 20.682 15.776 ( -12.195 -0.155 12.787) 17.671 16.186 ( 0.842 -8.277 -1.256) 8.414 18.151 ( -0.564 2.226 0.263) 2.311 18.951 ( -0.874 -0.082 2.619) 2.762 ======================= Grid point 31 (23/481) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -3.633 28.759 -1.239) 29.014 1.700 ( -3.658 28.073 -1.655) 28.359 3.065 ( -0.494 16.353 4.780) 17.044 3.167 ( -4.405 35.523 -5.632) 36.235 3.416 ( 1.029 2.706 3.005) 4.173 3.539 ( -1.534 19.806 -3.210) 20.123 3.842 ( 1.885 8.905 1.287) 9.193 3.989 ( -0.843 12.766 1.588) 12.892 4.437 ( 1.538 7.803 0.367) 7.961 4.810 ( 3.322 4.142 -2.107) 5.713 5.173 ( -1.167 0.416 1.713) 2.114 5.762 ( -0.879 3.202 -0.769) 3.408 6.685 ( 0.159 -10.713 -6.749) 12.663 6.733 ( -1.944 -4.347 4.951) 6.869 8.215 ( 0.451 -1.753 -0.306) 1.836 8.275 ( 0.688 19.320 -1.380) 19.381 9.065 ( -0.006 8.512 -0.837) 8.553 9.598 ( -1.590 20.575 0.637) 20.646 11.131 ( -0.597 0.300 0.585) 0.888 11.743 ( 1.356 3.341 -0.572) 3.651 12.257 ( 0.336 8.041 1.652) 8.216 12.495 ( 0.258 -10.272 -1.228) 10.349 13.108 ( -0.866 -0.078 0.804) 1.184 14.048 ( 0.827 11.439 1.129) 11.524 14.447 ( -0.861 -9.922 -0.352) 9.965 15.641 ( 8.280 4.712 -7.256) 11.976 15.814 ( -7.034 -7.529 5.582) 11.718 16.334 ( -0.290 -7.561 -0.554) 7.587 18.097 ( 0.396 3.510 0.188) 3.538 18.951 ( 0.341 0.865 3.076) 3.214 ======================= Grid point 32 (24/481) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.000 27.102 -0.000) 27.102 1.131 ( 0.000 30.375 -0.000) 30.375 2.215 ( 0.000 54.293 -0.000) 54.293 2.822 ( 0.000 17.077 -0.000) 17.077 3.230 ( 0.000 12.723 -0.000) 12.723 3.398 ( 0.000 0.907 -0.000) 0.907 3.683 ( 0.000 9.251 -0.000) 9.251 3.741 ( 0.000 11.912 -0.000) 11.912 4.340 ( 0.000 3.461 -0.000) 3.461 4.769 ( 0.000 0.994 -0.000) 0.994 5.173 ( -0.000 -0.309 0.000) 0.309 5.723 ( 0.000 0.535 -0.000) 0.535 6.807 ( -0.000 -3.668 0.000) 3.668 6.865 ( -0.000 -9.130 0.000) 9.130 7.913 ( 0.000 18.370 -0.000) 18.370 8.254 ( -0.000 -2.166 0.000) 2.166 8.910 ( 0.000 7.197 -0.000) 7.197 9.206 ( 0.000 19.837 -0.000) 19.837 11.132 ( -0.000 -0.470 0.000) 0.470 11.719 ( 0.000 0.074 -0.000) 0.074 12.145 ( 0.000 4.110 -0.000) 4.110 12.697 ( -0.000 -10.277 0.000) 10.277 13.079 ( 0.000 3.396 -0.000) 3.396 13.847 ( 0.000 9.450 -0.000) 9.450 14.625 ( -0.000 -9.780 0.000) 9.780 15.529 ( 0.000 7.944 -0.000) 7.944 15.971 ( -0.000 -9.201 0.000) 9.201 16.457 ( -0.000 -5.690 0.000) 5.690 18.029 ( 0.000 3.767 -0.000) 3.767 18.943 ( 0.000 1.057 -0.000) 1.057 ======================= Grid point 35 (25/481) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 26.014 0.000 10.337) 27.993 0.799 ( 26.342 0.000 12.170) 29.017 1.457 ( 50.584 0.000 18.638) 53.908 2.436 ( 4.035 0.000 0.552) 4.073 2.784 ( -6.154 -0.000 -3.698) 7.179 3.154 ( 1.115 0.000 1.258) 1.680 3.300 ( -6.086 -0.000 -6.457) 8.873 3.864 ( 2.895 0.000 -21.379) 21.574 4.227 ( -5.048 -0.000 -5.146) 7.209 4.777 ( -18.059 -0.000 15.109) 23.546 5.402 ( 6.326 0.000 -1.941) 6.617 5.842 ( 6.065 0.000 4.220) 7.388 6.775 ( -5.534 -0.000 -7.154) 9.045 6.791 ( -4.118 -0.000 -0.051) 4.118 8.238 ( -2.088 -0.000 -5.773) 6.139 8.772 ( 0.015 0.000 0.155) 0.156 8.823 ( -14.549 -0.000 34.401) 37.351 9.020 ( -6.571 -0.000 23.058) 23.976 11.156 ( 3.295 0.000 -7.715) 8.389 11.745 ( -0.442 -0.000 1.381) 1.450 12.129 ( -3.009 -0.000 -3.573) 4.671 12.866 ( -2.364 -0.000 -2.469) 3.418 12.936 ( -0.182 -0.000 -0.144) 0.232 13.064 ( 0.636 0.000 0.075) 0.640 15.187 ( -8.918 -0.000 4.845) 10.149 16.035 ( -24.620 -0.000 42.646) 49.242 16.450 ( -0.197 -0.000 -0.005) 0.197 16.589 ( 7.192 0.000 -8.411) 11.066 17.184 ( 51.483 0.000 -73.987) 90.137 17.945 ( 0.136 0.000 0.011) 0.137 ======================= Grid point 36 (26/481) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 23.875 -5.117 10.181) 26.455 1.242 ( 22.348 -23.606 8.687) 33.647 1.977 ( 37.763 -19.789 12.256) 44.361 2.657 ( 6.771 -18.803 2.784) 20.178 2.890 ( -5.063 -15.019 -3.822) 16.304 3.228 ( -0.915 -5.452 -3.849) 6.737 3.265 ( -4.788 -4.042 -2.489) 6.743 3.782 ( 0.731 2.093 -14.261) 14.432 4.153 ( -9.430 0.653 -3.511) 10.084 4.725 ( -12.248 0.783 13.187) 18.015 5.344 ( 5.890 6.587 -3.692) 9.577 5.871 ( 5.837 1.843 3.676) 7.140 6.679 ( -7.296 2.197 -6.067) 9.740 6.892 ( -4.179 -9.872 -1.850) 10.878 8.176 ( -1.621 3.539 -6.833) 7.864 8.584 ( -5.761 22.201 43.761) 49.407 8.872 ( 0.107 -7.913 1.674) 8.089 9.044 ( 9.796 -5.261 1.709) 11.250 11.145 ( 1.746 0.303 -4.272) 4.625 11.714 ( -0.324 2.203 2.092) 3.056 12.078 ( -4.008 1.457 -6.389) 7.682 12.771 ( -3.224 5.194 1.910) 6.404 13.017 ( 2.498 -6.713 -0.544) 7.183 13.282 ( -5.316 -16.983 -5.677) 18.679 15.140 ( -4.753 5.891 1.836) 7.789 15.481 ( -2.525 25.911 14.966) 30.029 16.320 ( 6.739 6.598 3.840) 10.183 16.702 ( 10.033 4.728 -0.689) 11.113 17.643 ( -6.792 -20.465 -21.062) 30.142 18.206 ( 5.755 -25.957 -17.335) 31.740 ======================= Grid point 37 (27/481) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 20.061 -13.769 6.223) 25.115 1.808 ( 23.219 -19.225 8.843) 31.415 2.613 ( 14.472 -26.837 3.434) 30.683 3.104 ( 2.295 -14.689 -0.765) 14.887 3.221 ( 7.856 -19.439 -0.608) 20.975 3.330 ( -2.881 -20.037 -5.324) 20.931 3.420 ( 0.395 -8.737 3.732) 9.509 3.744 ( -0.899 -4.017 -9.359) 10.224 4.104 ( -12.669 -3.914 -2.707) 13.533 4.694 ( -8.374 0.587 11.412) 14.167 5.245 ( 4.135 4.861 -5.561) 8.465 5.873 ( 3.764 1.885 2.235) 4.766 6.568 ( -7.189 2.636 -7.488) 10.710 7.034 ( -0.818 -5.254 2.474) 5.865 8.077 ( -2.094 1.657 -3.546) 4.439 8.422 ( 1.330 7.870 27.153) 28.302 9.008 ( 0.754 -5.141 4.094) 6.615 9.327 ( 7.665 -18.085 -2.510) 19.802 11.144 ( 1.832 -0.531 -2.592) 3.218 11.688 ( 0.431 1.047 1.087) 1.570 12.008 ( -7.804 -0.835 -6.401) 10.128 12.644 ( -4.289 6.875 2.295) 8.422 13.151 ( 6.748 -4.126 -1.990) 8.156 13.585 ( -3.637 -20.572 -3.907) 21.253 14.844 ( 3.948 20.173 0.737) 20.569 15.330 ( -14.984 -2.444 10.649) 18.544 16.216 ( 7.491 9.988 2.836) 12.803 16.586 ( 6.523 11.460 -0.688) 13.204 17.841 ( -7.202 -12.764 -5.175) 15.543 18.603 ( 3.897 -17.836 -15.199) 23.755 ======================= Grid point 38 (28/481) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 16.139 -18.731 3.299) 24.944 2.286 ( 20.476 -14.994 9.001) 26.928 3.136 ( 1.564 -22.703 -0.296) 22.759 3.226 ( 0.969 -5.658 -4.984) 7.602 3.488 ( 4.747 -3.180 -0.620) 5.747 3.642 ( -3.125 -18.706 -2.735) 19.161 3.834 ( -0.946 -22.200 -5.427) 22.873 3.975 ( 9.078 -20.641 4.514) 22.997 4.158 ( -11.274 -12.064 -1.886) 16.619 4.683 ( -6.115 -0.354 9.778) 11.538 5.189 ( 2.404 0.808 -6.118) 6.623 5.862 ( 0.834 1.060 0.756) 1.547 6.454 ( -6.235 2.387 -8.344) 10.686 7.060 ( 5.019 5.572 7.334) 10.489 8.110 ( -4.585 -7.681 -3.045) 9.450 8.434 ( 2.730 -0.275 15.129) 15.376 9.109 ( -0.579 -4.257 3.436) 5.501 9.723 ( 6.480 -19.635 -4.399) 21.139 11.168 ( 3.078 -0.892 -1.930) 3.741 11.699 ( -0.095 -2.484 0.667) 2.574 12.011 ( -7.972 -6.882 -4.682) 11.525 12.489 ( -5.777 6.562 1.403) 8.855 13.236 ( 9.450 -1.083 -1.913) 9.703 13.957 ( -0.542 -20.009 -1.617) 20.082 14.517 ( 1.480 16.641 0.294) 16.709 15.332 ( -16.618 -3.266 9.188) 19.267 16.068 ( 8.624 10.591 -1.153) 13.706 16.381 ( 0.357 11.869 1.303) 11.946 18.016 ( -2.741 -9.878 -2.104) 10.465 18.835 ( 4.487 -9.352 -9.193) 13.860 ======================= Grid point 39 (29/481) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 11.887 -16.938 1.686) 20.762 2.655 ( 14.804 -10.272 8.557) 19.947 3.265 ( -2.861 -2.957 -4.916) 6.411 3.538 ( 4.279 -14.880 0.911) 15.510 3.590 ( 1.470 -9.993 -3.576) 10.715 3.933 ( -0.667 -13.343 -2.326) 13.560 4.152 ( 1.452 -14.610 -5.255) 15.594 4.266 ( -8.462 -14.756 -0.041) 17.010 4.547 ( 3.408 -20.603 5.324) 21.551 4.716 ( -4.240 -4.892 6.259) 9.005 5.213 ( 1.141 -4.366 -5.092) 6.804 5.856 ( -1.305 -0.729 -0.017) 1.495 6.358 ( -5.028 1.335 -8.466) 9.936 6.954 ( 7.506 11.777 8.613) 16.408 8.227 ( -0.625 -5.446 1.000) 5.572 8.583 ( 0.571 -11.389 4.085) 12.113 9.178 ( -2.108 -2.875 1.555) 3.890 10.070 ( 5.611 -14.817 -5.010) 16.617 11.178 ( 2.474 1.228 -1.643) 3.213 11.814 ( -1.062 -9.782 2.225) 10.087 12.114 ( -3.346 -6.430 -3.314) 7.970 12.396 ( -7.028 -3.187 0.283) 7.722 13.298 ( 9.336 -0.322 -0.649) 9.364 14.165 ( -3.867 7.728 -0.141) 8.642 14.336 ( 5.775 -5.548 -0.845) 8.053 15.314 ( -15.516 -1.897 7.703) 17.427 15.936 ( 6.664 6.801 -4.649) 10.596 16.179 ( -2.295 9.406 3.488) 10.291 18.153 ( -0.305 -6.008 -0.900) 6.082 18.959 ( 4.933 -3.754 -5.276) 8.140 ======================= Grid point 40 (30/481) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 7.092 -9.105 0.466) 11.550 2.911 ( 8.106 -7.685 7.231) 13.306 3.268 ( -1.201 -0.641 -3.494) 3.750 3.776 ( 5.976 -11.641 -1.199) 13.140 3.853 ( -1.473 -14.018 -1.000) 14.131 4.104 ( 2.127 -5.684 -3.452) 6.982 4.367 ( 3.949 -9.023 -3.221) 10.362 4.527 ( -5.782 -16.859 0.271) 17.825 4.716 ( -6.791 -2.838 5.731) 9.328 4.985 ( -0.349 -16.784 2.287) 16.943 5.318 ( 0.017 -7.285 -3.614) 8.133 5.886 ( -1.122 -3.339 0.133) 3.526 6.295 ( -3.812 -0.380 -7.746) 8.642 6.781 ( 6.860 13.714 7.234) 16.955 8.307 ( 4.059 -1.909 2.111) 4.958 8.861 ( -2.452 -16.671 -0.902) 16.874 9.206 ( -1.276 -1.634 -0.428) 2.117 10.301 ( 4.854 -8.159 -4.111) 10.346 11.144 ( -0.353 2.380 -0.433) 2.444 11.997 ( -0.694 -4.909 3.163) 5.881 12.191 ( -0.781 -10.279 -3.166) 10.784 12.566 ( -4.083 -15.075 0.030) 15.618 13.355 ( 6.399 -0.952 0.520) 6.490 13.905 ( -4.004 13.437 -0.730) 14.040 14.489 ( 7.603 -3.450 -0.111) 8.350 15.279 ( -12.830 -0.987 4.287) 13.563 15.853 ( 0.897 3.510 -4.075) 5.453 16.051 ( -0.272 4.084 3.509) 5.391 18.228 ( 0.370 -2.183 -0.254) 2.229 19.006 ( 4.805 0.018 -2.883) 5.604 ======================= Grid point 41 (31/481) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 3.300 -2.536 0.028) 4.162 3.087 ( 2.410 -5.376 5.498) 8.058 3.266 ( 1.375 -0.242 -2.652) 2.997 4.022 ( -0.454 -10.099 -2.438) 10.399 4.058 ( 3.286 -8.791 3.208) 9.918 4.180 ( 4.996 -3.234 -5.385) 8.026 4.538 ( 4.737 -7.450 -1.127) 8.900 4.699 ( -6.995 -0.186 1.250) 7.108 4.808 ( -4.658 -13.301 1.568) 14.180 5.249 ( -3.127 -11.995 2.518) 12.649 5.432 ( -1.226 -5.728 -2.609) 6.412 5.964 ( 0.357 -4.701 0.461) 4.737 6.282 ( -1.999 -2.645 -5.746) 6.634 6.577 ( 4.637 13.536 4.582) 15.024 8.368 ( 5.937 -0.899 0.811) 6.060 9.046 ( -8.924 -4.101 -0.870) 9.860 9.326 ( 4.534 -13.410 -2.042) 14.302 10.393 ( 3.553 0.304 -2.379) 4.287 11.101 ( -1.611 1.142 0.554) 2.051 12.023 ( 0.960 0.072 0.547) 1.108 12.478 ( -0.975 -18.297 -0.979) 18.350 12.817 ( -0.704 -12.045 0.693) 12.086 13.402 ( 2.704 -0.141 1.073) 2.912 13.642 ( -3.450 11.332 -1.116) 11.898 14.568 ( 8.058 -0.941 0.167) 8.114 15.223 ( -9.871 0.898 1.239) 9.989 15.783 ( -2.025 2.153 -0.892) 3.087 16.039 ( 1.092 -0.727 1.277) 1.831 18.242 ( 0.021 0.508 0.055) 0.511 19.002 ( 4.059 2.209 -1.447) 4.843 ======================= Grid point 42 (32/481) ======================= q-point: ( 0.56 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 1.476 -0.210 0.315) 1.524 3.180 ( -0.342 -2.832 3.485) 4.504 3.267 ( 2.276 0.985 -1.729) 3.023 4.083 ( -2.255 -0.876 0.341) 2.443 4.224 ( 6.154 -1.947 -1.689) 6.672 4.302 ( 3.367 -8.430 -1.891) 9.272 4.637 ( -7.421 1.801 0.340) 7.644 4.696 ( 3.927 -6.894 0.020) 7.934 4.970 ( -2.867 -5.219 1.442) 6.127 5.445 ( -1.382 -9.967 1.374) 10.156 5.479 ( -3.590 -1.024 -1.560) 4.046 6.045 ( 0.808 -3.079 -0.035) 3.183 6.335 ( 0.820 -4.572 -2.247) 5.160 6.371 ( 1.774 11.072 1.738) 11.347 8.408 ( 5.921 0.645 -0.163) 5.958 9.008 ( -8.846 0.090 -0.498) 8.860 9.649 ( 3.583 -17.192 -1.732) 17.647 10.310 ( 1.846 9.289 -0.260) 9.475 11.092 ( -0.939 -0.584 0.244) 1.132 12.029 ( 1.247 0.399 -0.018) 1.310 12.799 ( -0.973 -15.889 -0.460) 15.926 13.007 ( 0.759 -8.092 0.900) 8.177 13.339 ( -1.338 7.445 -0.134) 7.565 13.482 ( 0.745 4.411 -0.029) 4.474 14.612 ( 3.604 1.344 -0.041) 3.847 15.170 ( -4.985 -1.222 0.154) 5.135 15.755 ( -1.046 -0.212 0.138) 1.076 16.067 ( 0.475 -0.887 0.382) 1.077 18.219 ( -0.761 1.463 0.126) 1.654 18.969 ( 2.764 2.825 -0.622) 4.001 ======================= Grid point 43 (33/481) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 0.461 1.017 0.456) 1.206 3.216 ( -0.358 3.423 1.097) 3.612 3.241 ( 1.263 -1.298 -0.211) 1.823 4.068 ( -2.305 1.437 1.360) 3.038 4.235 ( 5.682 2.837 -3.768) 7.384 4.412 ( 2.066 -0.819 0.423) 2.263 4.556 ( -7.088 2.189 0.284) 7.424 4.845 ( 4.808 -5.751 1.193) 7.590 5.016 ( -2.022 -2.281 1.270) 3.302 5.400 ( -4.817 5.987 -2.110) 7.969 5.594 ( -0.007 -4.708 0.451) 4.729 6.089 ( 1.317 -1.188 -0.078) 1.775 6.212 ( -1.093 6.148 -0.425) 6.258 6.429 ( 2.465 -4.094 0.872) 4.857 8.399 ( 4.158 3.528 -0.432) 5.470 8.983 ( -7.765 -3.227 0.020) 8.409 9.934 ( 4.937 -5.607 -0.896) 7.524 10.116 ( -1.409 6.369 1.303) 6.652 11.100 ( -0.199 -0.509 -0.477) 0.725 12.017 ( 0.358 1.241 0.056) 1.293 12.992 ( -0.173 -2.247 -0.046) 2.255 13.089 ( 0.300 3.204 -0.080) 3.219 13.240 ( -1.402 -2.037 -0.635) 2.553 13.458 ( 3.444 -2.327 0.851) 4.243 14.512 ( -3.798 8.742 -0.250) 9.535 15.253 ( 1.550 -7.938 -0.062) 8.088 15.776 ( 0.436 -2.051 0.276) 2.115 16.068 ( -0.161 1.143 0.095) 1.158 18.189 ( -1.509 0.885 0.092) 1.752 18.932 ( 1.242 2.028 -0.152) 2.383 ======================= Grid point 44 (34/481) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -0.350 3.123 0.247) 3.152 3.084 ( -0.875 9.523 -1.022) 9.617 3.296 ( 1.075 -2.749 1.331) 3.237 3.976 ( -2.733 8.218 -0.282) 8.665 4.194 ( 5.091 2.768 -2.089) 6.160 4.370 ( 0.195 5.477 2.284) 5.937 4.476 ( -4.595 2.867 0.122) 5.418 4.942 ( 4.342 -0.675 2.002) 4.828 5.040 ( -0.246 2.987 0.023) 2.997 5.232 ( -5.426 4.305 -1.784) 7.152 5.598 ( 0.867 4.435 -0.662) 4.567 6.108 ( 0.321 -0.095 0.145) 0.365 6.127 ( -1.949 1.676 -1.785) 3.129 6.510 ( 2.444 -2.457 2.472) 4.257 8.330 ( 1.652 4.955 -0.376) 5.236 9.039 ( -5.311 -6.211 0.419) 8.182 9.737 ( 3.658 18.321 1.046) 18.711 10.229 ( -1.450 -7.768 0.630) 7.927 11.110 ( 0.371 -0.952 -0.784) 1.288 11.996 ( -0.182 0.841 0.110) 0.867 12.878 ( 1.340 15.126 0.095) 15.185 12.945 ( -0.700 5.654 -0.425) 5.713 13.326 ( -0.646 -3.350 -0.447) 3.441 13.620 ( 4.352 -10.282 0.781) 11.192 14.300 ( -6.592 8.628 -0.326) 10.863 15.434 ( 3.907 -8.750 -0.347) 9.589 15.835 ( 1.425 -3.444 0.236) 3.735 16.017 ( -0.973 3.982 0.070) 4.100 18.173 ( -1.822 -0.186 0.069) 1.833 18.912 ( -0.003 0.447 0.175) 0.480 ======================= Grid point 45 (35/481) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -0.808 8.433 -0.038) 8.471 2.850 ( -1.395 14.023 -1.051) 14.132 3.358 ( 1.316 -2.529 1.036) 3.033 3.733 ( -2.642 14.549 -1.678) 14.882 4.179 ( 3.419 1.740 -0.152) 3.839 4.255 ( -0.642 7.222 3.319) 7.974 4.387 ( -1.859 5.129 -0.142) 5.458 4.795 ( -3.671 15.902 -1.252) 16.368 4.973 ( 3.689 2.346 -0.999) 4.484 5.196 ( -0.793 2.374 2.212) 3.340 5.458 ( 0.694 9.850 -0.477) 9.886 6.075 ( 1.966 4.607 -0.164) 5.012 6.130 ( -4.706 -5.444 -2.904) 7.760 6.568 ( 1.743 -1.694 2.697) 3.631 8.250 ( 0.342 3.756 -0.368) 3.789 9.117 ( -3.033 -2.608 0.633) 4.050 9.419 ( 3.069 16.527 0.642) 16.822 10.285 ( -1.642 1.214 0.878) 2.223 11.135 ( 0.408 -1.451 -0.514) 1.593 11.993 ( 0.031 -0.588 -0.212) 0.626 12.559 ( 0.807 17.868 0.316) 17.889 12.849 ( 0.525 5.330 0.002) 5.356 13.282 ( -0.946 7.108 -0.304) 7.178 13.853 ( 3.580 -11.288 0.491) 11.852 14.178 ( -5.615 -0.154 -0.370) 5.630 15.598 ( 5.165 -5.933 -1.473) 8.004 15.907 ( -3.060 4.309 4.315) 6.823 15.927 ( 1.943 -3.183 -3.278) 4.965 18.172 ( -1.497 -0.538 0.082) 1.592 18.916 ( -0.592 -0.893 0.461) 1.167 ======================= Grid point 46 (36/481) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -1.144 19.441 -0.349) 19.478 2.556 ( -0.757 16.639 -0.569) 16.665 3.404 ( 1.628 -0.375 -0.012) 1.671 3.442 ( -3.009 12.356 -0.379) 12.723 4.119 ( 0.984 7.417 0.933) 7.540 4.140 ( 2.997 7.368 3.935) 8.874 4.239 ( -2.649 9.799 -2.773) 10.523 4.441 ( -3.470 17.627 -1.410) 18.021 4.876 ( 1.649 10.611 -0.473) 10.749 5.099 ( 2.226 8.299 1.306) 8.691 5.281 ( -0.954 7.413 0.304) 7.480 5.971 ( 0.597 6.817 -0.132) 6.845 6.252 ( -2.683 -10.471 -2.422) 11.078 6.618 ( 0.897 -2.091 1.720) 2.852 8.200 ( 0.098 1.504 -0.340) 1.546 8.973 ( 0.044 16.235 0.494) 16.242 9.271 ( 0.690 2.211 -0.095) 2.318 10.180 ( -1.187 9.076 0.621) 9.174 11.152 ( -0.011 -0.101 -0.055) 0.116 11.986 ( 0.455 3.434 -0.552) 3.507 12.297 ( 0.408 7.631 0.560) 7.663 12.708 ( 0.610 11.171 0.081) 11.188 13.136 ( -1.169 5.075 0.089) 5.209 14.074 ( 1.690 -10.432 0.217) 10.570 14.202 ( -2.439 -3.133 -0.208) 3.976 15.694 ( 8.923 -1.162 -6.395) 11.039 15.784 ( -7.548 4.594 6.400) 10.911 16.043 ( 0.876 -7.008 -0.634) 7.091 18.170 ( -0.689 0.286 0.081) 0.751 18.937 ( -0.479 -1.253 0.594) 1.467 ======================= Grid point 47 (37/481) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.000 26.809 -0.000) 26.809 2.180 ( 0.000 23.528 -0.000) 23.528 3.227 ( 0.000 8.465 -0.000) 8.465 3.422 ( 0.000 0.417 -0.000) 0.417 3.849 ( 0.000 28.115 -0.000) 28.115 3.917 ( 0.000 19.791 -0.000) 19.791 3.993 ( 0.000 7.272 -0.000) 7.272 4.191 ( 0.000 9.067 -0.000) 9.067 4.636 ( 0.000 12.877 -0.000) 12.877 4.942 ( 0.000 8.684 -0.000) 8.684 5.195 ( 0.000 2.216 -0.000) 2.216 5.847 ( 0.000 6.027 -0.000) 6.027 6.454 ( -0.000 -11.903 0.000) 11.903 6.671 ( -0.000 -3.063 0.000) 3.063 8.192 ( -0.000 -0.562 0.000) 0.562 8.637 ( 0.000 18.956 -0.000) 18.956 9.206 ( 0.000 5.778 -0.000) 5.778 9.942 ( 0.000 15.940 -0.000) 15.940 11.142 ( 0.000 0.827 -0.000) 0.827 11.853 ( 0.000 8.011 -0.000) 8.011 12.319 ( -0.000 -7.059 0.000) 7.059 12.466 ( 0.000 13.049 -0.000) 13.049 13.098 ( -0.000 -0.225 0.000) 0.225 14.200 ( 0.000 3.772 -0.000) 3.772 14.265 ( -0.000 -9.643 0.000) 9.643 15.714 ( -0.000 -0.811 0.000) 0.811 15.719 ( 0.000 1.665 -0.000) 1.665 16.186 ( -0.000 -7.950 0.000) 7.950 18.149 ( 0.000 1.878 -0.000) 1.878 18.956 ( -0.000 -0.641 0.000) 0.641 ======================= Grid point 52 (38/481) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 24.759 0.000 10.091) 26.737 1.173 ( 25.139 0.000 10.263) 27.153 2.150 ( 47.973 0.000 17.536) 51.078 2.477 ( 2.904 0.000 -2.462) 3.807 2.702 ( -4.157 -0.000 -0.616) 4.202 3.162 ( -0.673 -0.000 0.093) 0.680 3.180 ( -5.816 -0.000 -7.580) 9.554 3.746 ( -2.588 -0.000 -14.542) 14.770 4.094 ( -11.572 -0.000 -5.097) 12.644 4.709 ( -10.076 -0.000 12.880) 16.353 5.426 ( 2.157 0.000 -4.990) 5.436 5.941 ( 5.476 0.000 3.267) 6.376 6.647 ( -6.302 -0.000 -9.730) 11.592 6.734 ( -5.527 -0.000 -0.082) 5.528 8.169 ( -3.413 -0.000 -4.833) 5.916 8.773 ( 0.020 0.000 0.206) 0.207 8.899 ( -11.655 -0.000 34.023) 35.964 9.104 ( 1.967 0.000 10.043) 10.233 11.140 ( 0.607 0.000 -3.921) 3.968 11.735 ( -4.410 -0.000 2.976) 5.320 12.070 ( 1.784 0.000 -10.520) 10.670 12.818 ( -4.238 -0.000 -0.426) 4.259 12.932 ( -0.234 -0.000 -0.186) 0.299 13.073 ( 0.821 0.000 0.095) 0.826 15.111 ( -9.870 -0.000 5.631) 11.363 16.019 ( -16.818 -0.000 24.918) 30.062 16.447 ( -0.247 -0.000 0.005) 0.247 16.625 ( 6.627 0.000 -5.217) 8.434 17.307 ( 36.876 0.000 -43.559) 57.073 17.946 ( 0.167 0.000 0.003) 0.167 ======================= Grid point 53 (39/481) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 23.205 -2.676 7.886) 24.654 1.552 ( 21.175 -22.700 8.561) 32.202 2.454 ( 28.512 -5.653 7.885) 30.118 2.724 ( 0.958 -19.187 -1.913) 19.306 2.895 ( 10.991 -19.213 5.562) 22.823 3.138 ( -3.784 -1.708 -7.290) 8.389 3.246 ( -1.055 -9.004 0.823) 9.103 3.678 ( -3.343 0.070 -12.143) 12.595 3.992 ( -13.745 0.642 -3.095) 14.104 4.696 ( -7.224 0.379 11.958) 13.976 5.355 ( 1.690 5.652 -5.831) 8.294 5.946 ( 2.839 2.573 1.818) 4.241 6.546 ( -6.473 2.315 -8.824) 11.185 6.829 ( -5.040 -11.191 -0.903) 12.307 8.108 ( -3.423 2.785 -4.287) 6.152 8.767 ( -5.698 13.393 32.521) 35.630 8.887 ( 0.218 -7.229 3.273) 7.939 9.164 ( 8.247 -3.985 2.341) 9.454 11.133 ( 0.029 -0.362 -2.262) 2.291 11.708 ( -4.415 0.343 2.367) 5.021 11.992 ( 0.971 4.692 -11.128) 12.116 12.730 ( -6.344 4.878 1.902) 8.225 13.052 ( 3.856 -9.276 -0.253) 10.049 13.215 ( -1.930 -13.692 -2.692) 14.087 15.079 ( -8.234 1.089 3.979) 9.209 15.526 ( -3.309 29.184 9.093) 30.746 16.404 ( 1.463 4.973 6.655) 8.436 16.817 ( 9.919 2.253 -0.236) 10.174 17.471 ( 1.008 -14.848 -20.217) 25.104 18.197 ( 7.237 -21.329 -10.245) 24.744 ======================= Grid point 54 (40/481) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 20.510 -10.594 4.509) 23.521 2.122 ( 20.533 -20.537 7.991) 30.120 2.797 ( 12.469 -15.253 4.852) 20.289 3.114 ( 2.886 -12.909 -1.415) 13.303 3.158 ( -5.278 -16.375 -10.389) 20.098 3.397 ( 2.771 -21.047 1.691) 21.296 3.470 ( 5.036 -8.760 1.966) 10.294 3.700 ( 5.140 -11.940 -3.967) 13.591 3.924 ( -15.271 -3.960 -1.340) 15.833 4.690 ( -5.350 0.510 11.143) 12.372 5.236 ( 1.356 4.921 -6.817) 8.516 5.904 ( -0.493 2.662 0.051) 2.708 6.437 ( -5.345 2.479 -8.814) 10.603 7.028 ( -2.225 -10.707 1.580) 11.049 8.019 ( -3.868 1.917 -2.644) 5.063 8.621 ( 2.137 10.022 25.969) 27.917 9.040 ( 0.403 -5.538 3.733) 6.691 9.395 ( 6.954 -15.891 -3.258) 17.649 11.148 ( 0.988 -1.745 -0.979) 2.232 11.699 ( -1.034 -0.421 1.087) 1.558 11.878 ( -3.835 1.555 -9.388) 10.260 12.583 ( -8.444 6.703 1.884) 10.945 13.231 ( 8.488 -5.303 -1.395) 10.105 13.538 ( -1.371 -21.941 -1.717) 22.050 14.878 ( 1.420 18.863 0.421) 18.921 15.228 ( -13.522 1.541 8.762) 16.186 16.305 ( 2.939 8.801 5.129) 10.602 16.662 ( 8.041 15.828 -1.869) 17.852 17.726 ( -5.811 -17.114 -6.112) 19.079 18.580 ( 6.632 -17.359 -10.886) 21.537 ======================= Grid point 55 (41/481) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 16.977 -15.472 2.413) 23.095 2.583 ( 19.520 -12.980 8.584) 24.964 3.127 ( -1.242 -9.756 -3.022) 10.289 3.227 ( 2.516 -13.133 0.168) 13.373 3.521 ( 3.264 -3.337 -5.128) 6.935 3.591 ( -1.809 -20.350 -3.798) 20.780 3.784 ( -0.316 -21.861 -3.371) 22.122 3.958 ( -12.994 -10.523 -0.040) 16.720 4.175 ( 9.373 -23.369 6.069) 25.900 4.690 ( -4.129 0.232 9.528) 10.387 5.162 ( 0.581 0.681 -7.081) 7.138 5.852 ( -2.832 1.294 -1.005) 3.272 6.336 ( -3.857 2.271 -8.414) 9.530 7.152 ( 3.501 0.559 5.489) 6.534 8.032 ( -5.535 -8.115 -2.220) 10.071 8.584 ( 4.937 3.818 15.873) 17.056 9.124 ( -0.636 -2.651 3.057) 4.096 9.758 ( 5.086 -19.116 -5.611) 20.561 11.196 ( 3.394 -1.440 -0.909) 3.798 11.711 ( 1.878 -1.190 -0.123) 2.227 11.888 ( -7.562 -9.388 -5.059) 13.073 12.410 ( -8.826 6.240 1.096) 10.864 13.343 ( 10.342 -1.557 -1.142) 10.520 13.947 ( 0.045 -20.706 -0.758) 20.719 14.534 ( 1.546 17.268 -0.013) 17.337 15.200 ( -15.400 -2.909 7.245) 17.266 16.152 ( 5.769 11.114 1.091) 12.570 16.391 ( 0.375 14.158 0.352) 14.167 17.969 ( -2.520 -12.540 -2.414) 13.017 18.841 ( 5.736 -10.109 -7.314) 13.732 ======================= Grid point 56 (42/481) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 12.002 -13.376 1.158) 18.009 2.878 ( 12.592 -5.707 8.057) 16.002 3.204 ( -1.685 -4.145 -4.470) 6.324 3.546 ( -0.940 -15.432 -1.207) 15.508 3.623 ( 5.999 -9.150 -1.823) 11.092 3.907 ( -0.562 -14.560 -3.390) 14.960 4.129 ( -5.071 -16.355 -1.524) 17.191 4.180 ( -0.531 -16.970 -1.691) 17.062 4.621 ( 1.472 -15.060 8.272) 17.245 4.706 ( -4.295 -4.882 4.043) 7.657 5.180 ( -0.395 -4.824 -6.196) 7.862 5.833 ( -2.395 -1.528 -0.746) 2.938 6.255 ( -2.986 1.295 -7.692) 8.352 7.083 ( 5.772 10.839 6.825) 14.049 8.212 ( -2.407 -11.608 0.094) 11.856 8.648 ( 4.431 -4.377 6.181) 8.775 9.160 ( -2.333 -1.693 0.918) 3.025 10.092 ( 4.198 -15.142 -5.410) 16.618 11.199 ( 2.828 2.814 -1.574) 4.289 11.822 ( -0.041 -9.928 2.075) 10.142 12.057 ( -2.734 -9.712 -3.046) 10.539 12.309 ( -8.052 -3.760 0.299) 8.892 13.405 ( 9.308 0.685 -0.179) 9.335 14.115 ( -4.370 8.395 -0.203) 9.466 14.401 ( 6.524 -6.904 -0.943) 9.546 15.187 ( -14.055 -2.366 5.859) 15.410 15.978 ( 4.984 9.919 -3.130) 11.534 16.174 ( -2.468 8.519 3.383) 9.493 18.141 ( -0.683 -7.230 -0.951) 7.324 18.986 ( 5.208 -4.360 -4.348) 8.064 ======================= Grid point 57 (43/481) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 6.203 -6.088 -0.030) 8.691 3.035 ( 4.652 -4.242 6.408) 8.983 3.245 ( 1.310 -1.798 -2.923) 3.673 3.783 ( 0.024 -13.057 -4.104) 13.687 3.891 ( 5.417 -12.387 3.352) 13.929 4.106 ( 2.858 -7.484 -4.602) 9.239 4.389 ( 2.036 -11.358 -2.155) 11.738 4.473 ( -3.078 -17.296 0.212) 17.569 4.672 ( -6.966 0.115 4.035) 8.052 4.982 ( -3.512 -15.378 4.647) 16.445 5.281 ( -1.357 -7.773 -5.129) 9.411 5.883 ( 0.273 -4.409 0.242) 4.424 6.209 ( -2.532 -0.952 -6.565) 7.100 6.891 ( 4.678 14.553 5.485) 16.240 8.371 ( 4.177 -4.189 2.399) 6.384 8.834 ( -1.438 -11.355 -0.448) 11.455 9.188 ( -1.040 -3.743 -0.745) 3.955 10.325 ( 3.679 -8.541 -3.803) 10.047 11.136 ( -0.335 3.434 -0.525) 3.490 12.012 ( -0.401 -4.311 3.085) 5.316 12.163 ( -0.532 -11.616 -3.035) 12.018 12.523 ( -3.388 -17.718 0.235) 18.041 13.432 ( 5.945 1.029 0.647) 6.068 13.853 ( -3.972 13.511 -0.754) 14.103 14.575 ( 7.438 -4.569 -0.474) 8.742 15.163 ( -11.455 -1.295 3.331) 11.999 15.836 ( 0.139 5.540 -2.568) 6.108 16.069 ( -0.211 3.128 2.731) 4.158 18.226 ( -0.237 -2.543 -0.233) 2.565 19.044 ( 4.521 -0.185 -2.355) 5.101 ======================= Grid point 58 (44/481) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 2.705 -1.319 0.003) 3.009 3.138 ( 0.605 -3.078 4.168) 5.216 3.275 ( 2.570 -0.921 -1.626) 3.178 3.982 ( -2.285 -8.693 -1.873) 9.181 4.144 ( 6.181 -10.008 3.349) 12.230 4.209 ( 6.342 -3.326 -5.583) 9.080 4.563 ( -1.806 -6.470 0.229) 6.721 4.629 ( -4.175 -0.505 -0.578) 4.245 4.776 ( -2.402 -14.587 1.781) 14.891 5.223 ( -4.476 -11.848 3.921) 13.258 5.391 ( -1.983 -5.931 -4.003) 7.425 5.981 ( 1.605 -4.500 0.472) 4.801 6.231 ( -1.081 -4.701 -4.214) 6.405 6.645 ( 2.725 15.128 3.161) 15.693 8.452 ( 7.280 -0.586 1.169) 7.397 8.936 ( -8.963 -2.683 -1.060) 9.416 9.361 ( 3.551 -14.164 -1.547) 14.684 10.414 ( 2.490 0.338 -1.893) 3.146 11.086 ( -1.319 0.991 0.328) 1.682 12.038 ( 0.953 -0.211 0.453) 1.076 12.463 ( -0.585 -18.304 -0.788) 18.330 12.815 ( -0.460 -13.415 0.653) 13.439 13.441 ( 2.660 1.899 1.094) 3.447 13.597 ( -3.100 10.245 -1.123) 10.763 14.656 ( 6.944 -0.131 -0.076) 6.945 15.123 ( -8.515 -0.222 0.953) 8.571 15.759 ( -1.429 1.759 -0.525) 2.326 16.056 ( 0.568 -0.335 1.028) 1.221 18.239 ( -0.474 0.629 0.058) 0.790 19.038 ( 3.469 2.436 -1.126) 4.386 ======================= Grid point 59 (45/481) ======================= q-point: ( 0.62 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 1.284 0.367 0.403) 1.395 3.196 ( -0.190 -2.370 2.277) 3.292 3.282 ( 1.695 1.489 -0.841) 2.408 4.060 ( -1.848 -1.976 0.215) 2.714 4.275 ( 6.847 -1.120 -4.461) 8.248 4.350 ( 4.399 -6.982 1.165) 8.334 4.536 ( -9.765 0.765 0.972) 9.843 4.741 ( 3.231 -7.346 -0.945) 8.080 4.953 ( -1.837 -4.948 2.302) 5.758 5.420 ( -4.204 -5.273 1.394) 6.886 5.441 ( -0.630 -6.371 -2.087) 6.734 6.056 ( 0.975 -2.781 -0.196) 2.953 6.336 ( 1.018 -6.659 -0.905) 6.797 6.395 ( 0.826 12.885 0.774) 12.935 8.486 ( 7.289 2.015 -0.039) 7.563 8.895 ( -9.619 -0.772 -0.425) 9.659 9.679 ( 2.907 -16.953 -1.184) 17.241 10.327 ( 1.161 9.327 -0.082) 9.399 11.083 ( -0.667 -0.793 0.054) 1.037 12.042 ( 1.000 0.739 0.008) 1.243 12.788 ( -0.550 -16.068 -0.335) 16.081 13.020 ( 0.517 -8.376 0.635) 8.416 13.323 ( -1.055 8.859 -0.230) 8.925 13.494 ( 0.962 2.183 0.134) 2.389 14.641 ( 1.602 5.427 -0.111) 5.660 15.125 ( -2.964 -4.791 0.106) 5.635 15.747 ( -0.573 -0.980 0.163) 1.147 16.073 ( 0.234 -0.495 0.288) 0.619 18.210 ( -0.869 1.800 0.101) 2.001 18.995 ( 2.127 3.364 -0.445) 4.005 ======================= Grid point 60 (46/481) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 0.348 1.571 0.317) 1.640 3.219 ( -0.166 5.133 0.718) 5.185 3.252 ( 0.766 -2.443 -0.066) 2.561 4.054 ( -1.327 1.909 0.789) 2.456 4.286 ( 7.118 2.944 -3.280) 8.372 4.431 ( -1.152 0.638 1.033) 1.674 4.477 ( -5.388 0.296 0.261) 5.402 4.904 ( 4.000 -7.436 0.375) 8.452 5.001 ( -2.065 -2.180 1.612) 3.408 5.337 ( -3.462 7.279 -1.577) 8.213 5.595 ( -0.171 -5.027 0.142) 5.032 6.104 ( 1.097 -1.780 0.196) 2.100 6.196 ( -0.924 7.951 -0.543) 8.023 6.458 ( 1.579 -5.093 0.596) 5.365 8.446 ( 3.969 5.534 -0.330) 6.818 8.897 ( -6.267 -4.915 0.044) 7.964 9.981 ( 3.865 -10.603 -0.960) 11.326 10.107 ( -1.612 11.402 1.250) 11.583 11.095 ( -0.139 -0.656 -0.338) 0.751 12.021 ( 0.250 1.650 0.037) 1.669 12.990 ( -0.128 -2.579 -0.033) 2.582 13.091 ( 0.233 3.712 -0.058) 3.720 13.224 ( -0.786 -2.271 -0.358) 2.430 13.498 ( 2.336 -3.689 0.525) 4.398 14.471 ( -2.723 11.255 -0.185) 11.581 15.268 ( 1.009 -9.849 -0.048) 9.901 15.783 ( 0.315 -2.697 0.195) 2.723 16.067 ( -0.116 1.504 0.068) 1.510 18.174 ( -1.037 1.208 0.061) 1.593 18.944 ( 0.847 2.613 -0.104) 2.748 ======================= Grid point 61 (47/481) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -0.131 3.498 0.081) 3.502 3.073 ( -0.338 10.215 -0.313) 10.225 3.312 ( 0.463 -3.081 0.511) 3.157 3.953 ( -0.913 9.067 -0.171) 9.115 4.244 ( 4.598 3.549 -1.033) 5.900 4.357 ( -3.663 4.364 1.034) 5.790 4.447 ( -0.547 2.145 0.127) 2.217 4.995 ( 2.118 0.061 1.583) 2.645 5.032 ( -0.305 5.539 -0.770) 5.600 5.175 ( -2.524 0.901 -0.656) 2.759 5.601 ( 0.339 4.099 -0.297) 4.124 6.081 ( -1.544 2.617 -0.391) 3.064 6.133 ( 0.880 0.492 -0.215) 1.031 6.542 ( 0.917 -2.857 0.905) 3.134 8.345 ( 0.908 5.995 -0.174) 6.066 8.994 ( -2.308 -7.244 0.162) 7.604 9.773 ( 1.438 18.357 0.365) 18.417 10.220 ( -0.536 -7.732 0.241) 7.755 11.109 ( 0.118 -1.137 -0.302) 1.183 11.995 ( -0.045 0.943 0.042) 0.945 12.890 ( 0.552 15.580 0.019) 15.590 12.937 ( -0.312 4.768 -0.138) 4.780 13.319 ( -0.242 -3.534 -0.159) 3.546 13.663 ( 1.965 -10.629 0.308) 10.814 14.242 ( -2.747 9.702 -0.147) 10.085 15.463 ( 1.390 -9.625 -0.141) 9.726 15.847 ( 0.541 -3.832 0.090) 3.871 16.010 ( -0.387 4.517 0.051) 4.534 18.158 ( -0.729 -0.032 0.030) 0.730 18.914 ( 0.065 0.820 0.051) 0.824 ======================= Grid point 62 (48/481) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 0.000 8.737 -0.000) 8.737 2.838 ( 0.000 14.212 -0.000) 14.212 3.370 ( -0.000 -2.702 0.000) 2.702 3.712 ( 0.000 15.195 -0.000) 15.195 4.210 ( 0.000 1.775 -0.000) 1.775 4.248 ( 0.000 6.257 -0.000) 6.257 4.380 ( 0.000 5.284 -0.000) 5.284 4.765 ( 0.000 17.231 -0.000) 17.231 4.992 ( 0.000 2.257 -0.000) 2.257 5.199 ( 0.000 1.106 -0.000) 1.106 5.462 ( 0.000 10.107 -0.000) 10.107 6.087 ( 0.000 4.709 -0.000) 4.709 6.091 ( -0.000 -4.786 0.000) 4.786 6.588 ( -0.000 -1.829 0.000) 1.829 8.251 ( 0.000 4.004 -0.000) 4.004 9.101 ( -0.000 -3.042 0.000) 3.042 9.439 ( 0.000 16.477 -0.000) 16.477 10.278 ( 0.000 1.362 -0.000) 1.362 11.136 ( -0.000 -1.459 0.000) 1.459 11.992 ( -0.000 -0.613 0.000) 0.613 12.565 ( 0.000 17.793 -0.000) 17.793 12.852 ( 0.000 4.880 -0.000) 4.880 13.276 ( 0.000 7.551 -0.000) 7.551 13.878 ( -0.000 -11.168 0.000) 11.168 14.141 ( -0.000 -0.313 0.000) 0.313 15.625 ( -0.000 -6.796 0.000) 6.796 15.898 ( 0.000 6.947 -0.000) 6.947 15.932 ( -0.000 -5.083 0.000) 5.083 18.163 ( -0.000 -0.551 0.000) 0.551 18.915 ( -0.000 -0.803 0.000) 0.803 ======================= Grid point 69 (49/481) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 22.841 0.000 9.787) 24.850 1.514 ( 23.446 0.000 7.297) 24.555 2.447 ( -2.175 -0.000 -7.026) 7.355 2.703 ( 1.755 0.000 4.102) 4.462 2.792 ( 43.272 0.000 14.411) 45.608 3.086 ( -2.124 -0.000 -4.558) 5.028 3.138 ( -2.679 -0.000 -1.244) 2.953 3.606 ( -7.332 -0.000 -11.174) 13.365 3.914 ( -13.133 -0.000 -3.576) 13.612 4.704 ( -5.088 -0.000 11.293) 12.386 5.393 ( -1.142 -0.000 -6.560) 6.659 5.985 ( -1.146 -0.000 0.311) 1.187 6.519 ( -3.244 -0.000 -10.236) 10.737 6.664 ( -6.190 -0.000 -0.111) 6.191 8.100 ( -3.584 -0.000 -3.405) 4.944 8.775 ( 0.022 0.000 0.226) 0.227 8.999 ( -8.452 -0.000 30.662) 31.806 9.196 ( 5.164 0.000 4.955) 7.157 11.119 ( -1.283 -0.000 -1.094) 1.686 11.669 ( -9.338 -0.000 0.966) 9.387 12.049 ( 8.617 0.000 -13.484) 16.002 12.761 ( -6.993 -0.000 2.574) 7.451 12.928 ( -0.249 -0.000 -0.200) 0.320 13.084 ( 0.877 0.000 0.101) 0.883 15.040 ( -8.503 -0.000 5.437) 10.093 15.979 ( -12.052 -0.000 13.620) 18.186 16.444 ( -0.254 -0.000 0.019) 0.255 16.667 ( 4.808 0.000 -2.379) 5.364 17.454 ( 28.342 0.000 -26.732) 38.959 17.948 ( 0.166 0.000 -0.011) 0.167 ======================= Grid point 70 (50/481) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 21.909 -1.205 4.678) 22.436 1.841 ( 18.727 -20.368 8.314) 28.890 2.613 ( 0.752 -19.171 -6.877) 20.381 2.772 ( 7.602 -5.515 5.795) 11.036 3.060 ( 2.865 -2.931 -6.159) 7.398 3.149 ( 5.238 -7.706 3.888) 10.096 3.297 ( 14.524 -13.477 7.375) 21.141 3.549 ( -4.848 -3.698 -8.198) 10.217 3.820 ( -11.656 0.790 -2.052) 11.862 4.710 ( -3.686 0.519 10.853) 11.473 5.311 ( -1.571 4.618 -7.195) 8.693 5.936 ( -5.319 2.318 -1.727) 6.054 6.435 ( -1.852 2.859 -8.428) 9.090 6.765 ( -5.089 -12.270 -0.566) 13.295 8.044 ( -3.300 2.640 -2.727) 5.030 8.864 ( -1.361 -5.224 8.074) 9.713 8.954 ( -2.151 6.242 21.301) 22.301 9.263 ( 6.679 -3.175 1.270) 7.503 11.117 ( -1.496 -1.080 0.364) 1.880 11.627 ( -9.656 -1.837 -1.284) 9.913 11.978 ( 9.421 7.509 -11.795) 16.860 12.651 ( -9.827 5.635 2.994) 11.717 13.094 ( 3.117 -13.365 0.199) 13.725 13.194 ( 0.196 -11.038 -0.992) 11.084 15.014 ( -7.464 0.342 4.406) 8.674 15.533 ( -3.272 28.843 4.991) 29.454 16.442 ( -1.983 3.432 6.177) 7.340 16.920 ( 7.371 -5.077 0.362) 8.958 17.391 ( 4.980 -1.730 -15.090) 15.984 18.225 ( 7.297 -20.535 -7.160) 22.939 ======================= Grid point 71 (51/481) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 20.311 -8.666 2.403) 22.213 2.376 ( 14.500 -21.875 6.570) 27.054 2.951 ( 6.462 -11.461 0.352) 13.162 3.049 ( 0.522 -13.650 -4.537) 14.394 3.155 ( 3.676 -15.282 0.586) 15.729 3.377 ( -4.266 -14.660 -3.886) 15.755 3.455 ( -3.080 -6.687 -4.335) 8.544 3.757 ( -11.945 -3.386 0.628) 12.432 3.865 ( 16.889 -18.375 7.102) 25.949 4.714 ( -2.859 0.817 10.192) 10.617 5.187 ( -1.281 4.258 -7.966) 9.123 5.848 ( -7.623 1.793 -3.041) 8.401 6.347 ( -0.376 3.076 -7.284) 7.916 7.008 ( -2.540 -14.731 0.924) 14.977 7.960 ( -3.613 2.581 -1.682) 4.748 8.811 ( 2.372 9.651 23.119) 25.164 9.068 ( 0.530 -6.029 3.045) 6.775 9.438 ( 4.913 -13.581 -4.744) 15.202 11.157 ( 0.246 -3.327 1.537) 3.673 11.636 ( -8.449 -6.052 -2.609) 10.715 11.841 ( 7.468 7.846 -8.673) 13.876 12.481 ( -11.193 6.582 2.422) 13.209 13.318 ( 7.525 -6.981 -0.887) 10.303 13.526 ( 0.193 -22.613 -0.249) 22.615 14.888 ( -0.115 15.398 0.672) 15.413 15.137 ( -10.505 7.098 6.122) 14.079 16.351 ( -0.736 7.032 5.046) 8.686 16.744 ( 8.062 20.232 -1.955) 21.866 17.631 ( -3.883 -19.745 -5.248) 20.797 18.600 ( 6.860 -16.597 -7.333) 19.398 ======================= Grid point 72 (52/481) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 16.737 -12.511 1.386) 20.942 2.822 ( 12.030 -13.698 5.819) 19.137 3.073 ( -3.027 -5.447 -4.014) 7.413 3.292 ( 5.074 -11.867 3.026) 13.256 3.482 ( -0.353 -8.165 -7.486) 11.083 3.559 ( -0.394 -20.012 -2.613) 20.186 3.774 ( -3.773 -18.468 -0.799) 18.867 3.840 ( -2.981 -15.009 1.590) 15.384 4.315 ( 6.577 -18.658 6.676) 20.879 4.708 ( -2.986 1.520 8.161) 8.822 5.107 ( -1.218 0.135 -8.320) 8.410 5.781 ( -6.947 -0.747 -2.827) 7.537 6.266 ( 0.164 3.178 -6.161) 6.935 7.217 ( 2.642 -4.006 3.640) 6.023 7.957 ( -5.097 -7.694 -1.501) 9.350 8.750 ( 5.599 6.008 14.950) 17.058 9.134 ( -0.632 -0.890 1.957) 2.241 9.765 ( 2.947 -19.050 -6.313) 20.284 11.235 ( 3.530 -1.924 0.640) 4.071 11.737 ( 2.050 -1.978 -0.332) 2.868 11.774 ( -5.001 -9.617 -5.899) 12.341 12.308 ( -9.838 5.467 1.368) 11.338 13.452 ( 9.115 -2.344 -0.595) 9.430 13.945 ( 0.051 -19.795 -0.230) 19.797 14.555 ( 2.248 16.782 -0.271) 16.934 15.075 ( -13.147 -2.338 5.387) 14.399 16.212 ( 2.625 9.823 2.292) 10.423 16.396 ( 0.898 17.363 -0.663) 17.398 17.928 ( -1.852 -14.389 -2.146) 14.666 18.866 ( 5.430 -10.230 -5.104) 12.657 ======================= Grid point 73 (53/481) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 10.051 -9.533 0.195) 13.854 3.014 ( 3.113 -3.256 4.247) 6.191 3.188 ( 2.667 -5.303 -1.702) 6.175 3.517 ( -0.654 -13.222 -3.723) 13.752 3.705 ( 7.158 -12.457 2.437) 14.573 3.881 ( 0.866 -15.484 -2.881) 15.774 4.042 ( -7.043 -18.810 0.636) 20.096 4.207 ( 4.751 -16.022 -2.494) 16.897 4.653 ( -7.751 -5.389 0.671) 9.465 4.699 ( 1.156 -9.249 10.864) 14.315 5.121 ( -1.737 -5.295 -7.747) 9.543 5.792 ( -3.222 -4.455 -1.378) 5.668 6.193 ( -0.324 2.342 -5.154) 5.670 7.177 ( 3.917 10.316 4.515) 11.923 8.181 ( -2.535 -16.239 -0.124) 16.436 8.754 ( 6.007 0.803 6.641) 8.991 9.134 ( -2.614 -0.654 -0.217) 2.704 10.097 ( 2.473 -15.947 -4.769) 16.828 11.222 ( 2.720 4.773 -1.215) 5.626 11.839 ( 0.726 -9.856 1.736) 10.034 12.011 ( -1.970 -12.666 -2.570) 13.074 12.220 ( -7.348 -4.930 0.439) 8.860 13.506 ( 7.885 1.618 0.089) 8.049 14.063 ( -4.254 8.766 -0.245) 9.747 14.471 ( 6.517 -7.549 -1.026) 10.026 15.071 ( -11.564 -2.739 4.227) 12.613 16.009 ( 3.478 12.853 -2.078) 13.476 16.167 ( -2.309 7.068 2.766) 7.933 18.126 ( -0.695 -8.064 -0.801) 8.134 19.018 ( 4.303 -4.645 -3.014) 7.012 ======================= Grid point 74 (54/481) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 3.763 -3.891 -0.604) 5.446 3.100 ( 1.064 -3.104 4.090) 5.244 3.256 ( 2.429 -2.062 -1.726) 3.623 3.760 ( 0.019 -12.754 -2.218) 12.945 3.987 ( 5.755 -12.076 3.293) 13.777 4.121 ( 5.675 -8.830 -3.387) 11.030 4.382 ( -1.466 -17.147 0.552) 17.219 4.457 ( 0.002 -12.464 -1.470) 12.550 4.594 ( -9.022 0.742 -0.513) 9.067 4.989 ( -2.052 -13.191 8.447) 15.798 5.219 ( -2.368 -8.405 -6.920) 11.142 5.890 ( 0.554 -6.422 0.107) 6.446 6.152 ( -1.064 -0.626 -4.184) 4.362 6.962 ( 2.559 15.184 3.300) 15.748 8.430 ( 3.150 -8.316 2.074) 9.131 8.821 ( -0.584 -3.511 -0.162) 3.563 9.173 ( -0.648 -6.465 -0.771) 6.543 10.337 ( 2.203 -9.065 -2.716) 9.716 11.130 ( -0.218 4.416 -0.426) 4.442 12.028 ( -0.193 -2.933 2.547) 3.889 12.139 ( -0.356 -13.596 -2.473) 13.823 12.492 ( -2.186 -19.915 0.262) 20.037 13.498 ( 4.690 2.601 0.614) 5.398 13.805 ( -3.403 13.467 -0.658) 13.906 14.653 ( 6.438 -5.359 -0.748) 8.410 15.062 ( -8.968 -1.428 2.400) 9.393 15.823 ( -0.052 6.826 -1.411) 6.971 16.082 ( -0.238 2.581 1.750) 3.128 18.221 ( -0.385 -2.749 -0.173) 2.782 19.077 ( 3.206 -0.302 -1.519) 3.560 ======================= Grid point 75 (55/481) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 1.455 -0.910 -0.041) 1.717 3.160 ( 0.019 -2.158 1.936) 2.899 3.295 ( 1.752 -0.890 -0.422) 2.010 3.952 ( -1.204 -8.276 -0.941) 8.416 4.228 ( 3.870 -9.191 1.437) 10.076 4.262 ( 9.111 -3.815 -3.092) 10.350 4.489 ( -10.266 0.352 2.193) 10.504 4.602 ( -0.050 -8.139 -2.487) 8.510 4.773 ( -0.125 -15.191 0.904) 15.218 5.212 ( -2.357 -10.406 5.004) 11.785 5.337 ( -1.978 -6.867 -4.653) 8.527 6.001 ( 1.240 -3.978 0.263) 4.175 6.201 ( -0.400 -6.454 -2.180) 6.824 6.683 ( 1.159 16.120 1.575) 16.238 8.547 ( 7.250 -1.020 1.291) 7.434 8.828 ( -7.941 -0.653 -1.150) 8.050 9.386 ( 1.977 -14.823 -0.841) 14.978 10.425 ( 1.245 0.291 -1.052) 1.656 11.076 ( -0.741 0.872 0.145) 1.153 12.050 ( 0.599 -0.461 0.261) 0.800 12.454 ( -0.261 -18.311 -0.441) 18.318 12.815 ( -0.223 -14.267 0.396) 14.274 13.478 ( 2.585 3.687 1.082) 4.631 13.555 ( -2.793 8.998 -1.098) 9.485 14.724 ( 4.769 1.098 -0.205) 4.898 15.044 ( -5.683 -1.507 0.617) 5.912 15.744 ( -0.729 1.477 -0.237) 1.664 16.066 ( 0.220 -0.124 0.573) 0.626 18.234 ( -0.408 0.742 0.033) 0.847 19.064 ( 1.986 2.570 -0.611) 3.305 ======================= Grid point 76 (56/481) ======================= q-point: ( 0.69 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 0.515 0.653 0.181) 0.851 3.205 ( -0.034 -2.390 0.771) 2.512 3.293 ( 0.601 2.032 -0.207) 2.129 4.046 ( -0.698 -2.644 0.050) 2.735 4.336 ( 8.266 -1.118 -3.588) 9.080 4.394 ( 0.324 -4.206 0.998) 4.335 4.436 ( -7.774 -0.763 1.862) 8.030 4.755 ( 0.633 -8.652 -0.795) 8.711 4.956 ( -0.239 -4.284 1.280) 4.478 5.388 ( -1.709 -0.771 0.213) 1.887 5.427 ( -0.324 -11.259 -0.605) 11.280 6.063 ( 0.420 -2.675 -0.099) 2.710 6.342 ( 0.461 -7.791 -0.226) 7.808 6.403 ( 0.182 13.898 0.211) 13.900 8.565 ( 5.164 3.738 0.061) 6.375 8.795 ( -6.015 -2.002 -0.224) 6.344 9.697 ( 1.086 -16.908 -0.423) 16.948 10.336 ( 0.390 9.269 -0.011) 9.277 11.078 ( -0.241 -0.887 -0.001) 0.919 12.050 ( 0.384 0.946 0.006) 1.021 12.782 ( -0.175 -16.155 -0.123) 16.156 13.027 ( 0.184 -8.519 0.230) 8.524 13.314 ( -0.382 9.417 -0.100) 9.425 13.503 ( 0.406 1.057 0.069) 1.134 14.651 ( 0.376 8.124 -0.058) 8.133 15.103 ( -0.939 -7.089 0.040) 7.151 15.743 ( -0.177 -1.407 0.071) 1.420 16.076 ( 0.067 -0.304 0.106) 0.329 18.203 ( -0.366 2.001 0.037) 2.035 19.010 ( 0.793 3.637 -0.161) 3.726 ======================= Grid point 77 (57/481) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 0.000 1.806 -0.000) 1.806 3.221 ( 0.000 5.819 -0.000) 5.819 3.257 ( -0.000 -2.936 0.000) 2.936 4.049 ( 0.000 2.073 -0.000) 2.073 4.340 ( 0.000 3.815 -0.000) 3.815 4.387 ( 0.000 0.548 -0.000) 0.548 4.463 ( -0.000 -0.596 0.000) 0.596 4.931 ( -0.000 -9.621 0.000) 9.621 4.994 ( -0.000 -0.802 0.000) 0.802 5.309 ( 0.000 7.922 -0.000) 7.922 5.594 ( -0.000 -5.116 0.000) 5.116 6.112 ( -0.000 -2.280 0.000) 2.280 6.188 ( 0.000 8.852 -0.000) 8.852 6.470 ( -0.000 -5.424 0.000) 5.424 8.472 ( 0.000 6.758 -0.000) 6.758 8.857 ( -0.000 -5.998 0.000) 5.998 10.002 ( -0.000 -14.707 0.000) 14.707 10.100 ( 0.000 15.494 -0.000) 15.494 11.093 ( -0.000 -0.706 0.000) 0.706 12.023 ( 0.000 1.798 -0.000) 1.798 12.989 ( -0.000 -2.640 0.000) 2.640 13.093 ( 0.000 3.809 -0.000) 3.809 13.218 ( -0.000 -2.310 0.000) 2.310 13.514 ( -0.000 -4.277 0.000) 4.277 14.454 ( 0.000 12.162 -0.000) 12.162 15.274 ( -0.000 -10.455 0.000) 10.455 15.785 ( -0.000 -2.928 0.000) 2.928 16.066 ( 0.000 1.632 -0.000) 1.632 18.168 ( 0.000 1.330 -0.000) 1.330 18.949 ( 0.000 2.813 -0.000) 2.813 ======================= Grid point 86 (58/481) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 19.749 0.000 9.432) 21.885 1.811 ( 21.681 0.000 3.525) 21.966 2.365 ( -2.549 -0.000 -7.438) 7.862 2.766 ( 2.900 0.000 4.608) 5.444 3.039 ( 3.644 0.000 -4.362) 5.684 3.084 ( -4.332 -0.000 -2.511) 5.007 3.320 ( 11.300 0.000 5.486) 12.561 3.475 ( 9.757 0.000 2.284) 10.021 3.766 ( -7.706 -0.000 -2.819) 8.206 4.735 ( -1.828 -0.000 10.175) 10.337 5.316 ( -3.871 -0.000 -7.687) 8.606 5.903 ( -10.439 -0.000 -3.880) 11.137 6.453 ( 1.925 0.000 -7.889) 8.120 6.592 ( -5.935 -0.000 -0.126) 5.936 8.044 ( -2.786 -0.000 -2.251) 3.581 8.776 ( 0.021 0.000 0.212) 0.213 9.106 ( -5.896 -0.000 26.116) 26.773 9.285 ( 6.131 0.000 1.905) 6.420 11.098 ( -2.801 -0.000 2.034) 3.461 11.544 ( -9.548 -0.000 -4.412) 10.518 12.085 ( 11.982 0.000 -12.347) 17.205 12.689 ( -9.940 -0.000 5.298) 11.264 12.924 ( -0.227 -0.000 -0.184) 0.293 13.094 ( 0.801 0.000 0.091) 0.806 14.990 ( -5.809 -0.000 4.627) 7.426 15.925 ( -8.682 -0.000 6.752) 10.999 16.441 ( -0.223 -0.000 0.030) 0.225 16.702 ( 3.094 0.000 -1.100) 3.284 17.601 ( 21.120 0.000 -15.861) 26.413 17.950 ( 0.141 0.000 -0.024) 0.143 ======================= Grid point 87 (59/481) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 20.500 -0.870 1.273) 20.558 2.091 ( 14.636 -17.021 8.270) 23.923 2.555 ( -0.118 -20.627 -7.747) 22.034 2.881 ( 4.106 -8.700 4.749) 10.729 3.066 ( 1.470 -2.030 -1.842) 3.111 3.129 ( -3.489 -8.228 -2.250) 9.216 3.303 ( -10.869 -3.193 -4.644) 12.243 3.658 ( -1.602 -2.670 2.048) 3.727 3.791 ( 21.826 -5.401 7.503) 23.703 4.753 ( -0.704 0.867 9.649) 9.713 5.226 ( -4.187 3.682 -8.224) 9.936 5.805 ( -12.459 1.243 -4.960) 13.468 6.394 ( 2.427 3.383 -5.902) 7.223 6.705 ( -4.711 -13.106 -0.524) 13.937 7.997 ( -2.328 2.685 -1.698) 3.938 8.885 ( 0.074 -10.170 1.822) 10.333 9.079 ( -2.160 7.524 22.242) 23.579 9.334 ( 5.439 -1.605 -1.127) 5.782 11.106 ( -2.568 -1.919 3.611) 4.828 11.492 ( -8.476 -2.295 -6.263) 10.785 12.034 ( 12.407 7.946 -10.504) 18.094 12.548 ( -12.163 6.921 4.787) 14.791 13.124 ( 1.588 -16.996 0.514) 17.077 13.199 ( 1.137 -9.710 -0.339) 9.783 14.968 ( -5.048 0.829 3.809) 6.378 15.522 ( -2.773 27.868 2.418) 28.110 16.446 ( -3.063 2.559 4.169) 5.772 16.990 ( 4.628 -14.667 -0.019) 15.380 17.374 ( 5.344 12.466 -8.971) 16.262 18.266 ( 6.437 -20.624 -4.905) 22.155 ======================= Grid point 88 (60/481) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 19.908 -7.521 0.727) 21.293 2.545 ( 7.667 -20.591 5.554) 22.663 2.906 ( -1.258 -13.731 -7.175) 15.544 3.113 ( -2.540 -9.934 -1.169) 10.320 3.183 ( 0.966 -16.726 1.142) 16.792 3.284 ( -2.019 -9.352 -2.412) 9.867 3.422 ( 0.880 -15.361 0.447) 15.392 3.663 ( -5.328 -3.903 0.242) 6.609 4.116 ( 15.996 -10.818 8.823) 21.231 4.757 ( -0.558 1.717 8.468) 8.658 5.103 ( -3.421 3.323 -9.102) 10.276 5.704 ( -11.445 -0.281 -4.571) 12.327 6.326 ( 2.818 3.856 -4.628) 6.650 6.984 ( -2.430 -17.868 0.415) 18.037 7.916 ( -2.473 3.399 -0.981) 4.317 8.980 ( 2.203 8.753 19.316) 21.321 9.093 ( 0.714 -6.623 2.345) 7.062 9.444 ( 2.659 -11.330 -6.706) 13.432 11.178 ( 0.073 -5.065 4.484) 6.765 11.509 ( -7.322 -7.340 -6.548) 12.262 11.896 ( 10.104 9.852 -7.009) 15.757 12.364 ( -12.148 6.288 3.458) 14.109 13.387 ( 4.971 -9.003 -0.571) 10.300 13.534 ( 1.040 -22.848 0.388) 22.875 14.890 ( -0.412 10.632 1.052) 10.691 15.067 ( -7.113 13.714 3.428) 15.825 16.361 ( -2.063 5.686 3.482) 6.980 16.818 ( 6.262 23.698 -1.326) 24.547 17.566 ( -2.354 -21.406 -3.573) 21.829 18.634 ( 5.468 -16.061 -4.488) 17.550 ======================= Grid point 89 (61/481) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 14.542 -8.998 0.337) 17.104 2.923 ( 1.615 -11.556 1.606) 11.779 3.034 ( -1.232 -9.603 0.578) 9.699 3.291 ( -2.304 -9.585 -6.417) 11.762 3.461 ( -2.137 -16.186 -2.144) 16.467 3.577 ( 4.855 -17.206 2.769) 18.091 3.720 ( -1.167 -12.958 1.531) 13.100 3.879 ( 4.396 -19.644 0.383) 20.134 4.407 ( 1.932 -11.860 5.646) 13.277 4.734 ( -0.988 2.723 7.460) 8.002 5.024 ( -2.688 -0.650 -9.781) 10.164 5.674 ( -7.193 -3.906 -2.868) 8.673 6.250 ( 1.968 4.266 -3.366) 5.779 7.262 ( 1.773 -7.634 2.037) 8.098 7.898 ( -3.530 -6.884 -0.872) 7.785 8.904 ( 4.920 6.863 12.297) 14.917 9.132 ( -0.873 1.213 -0.057) 1.496 9.747 ( 1.083 -19.672 -5.536) 20.465 11.284 ( 3.279 -1.706 1.924) 4.167 11.667 ( -5.250 -16.000 -4.328) 17.386 11.781 ( 4.424 3.460 -1.866) 5.918 12.209 ( -8.508 4.315 1.561) 9.667 13.540 ( 6.332 -3.516 -0.270) 7.248 13.943 ( -0.242 -17.789 -0.023) 17.790 14.583 ( 2.912 15.659 -0.442) 15.934 14.971 ( -9.711 -1.760 3.531) 10.481 16.243 ( 0.370 7.362 2.100) 7.665 16.404 ( 1.244 20.903 -0.944) 20.962 17.899 ( -1.079 -15.427 -1.439) 15.532 18.894 ( 3.817 -10.156 -2.963) 11.247 ======================= Grid point 90 (62/481) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 5.425 -5.786 -0.725) 7.964 3.051 ( 0.938 -4.424 3.515) 5.728 3.198 ( 0.055 -5.126 -2.607) 5.751 3.497 ( 0.788 -14.535 -1.973) 14.689 3.752 ( -0.838 -15.805 -0.485) 15.835 3.947 ( 7.399 -16.693 4.205) 18.737 3.993 ( 0.195 -16.434 -0.109) 16.435 4.232 ( 2.097 -14.355 -2.903) 14.794 4.543 ( -9.738 -1.903 -0.975) 9.970 4.796 ( 2.561 -8.677 11.226) 14.418 5.038 ( -2.764 -5.756 -9.172) 11.176 5.749 ( -2.326 -7.436 -1.130) 7.873 6.173 ( 0.689 3.512 -2.325) 4.268 7.234 ( 1.971 10.256 2.195) 10.672 8.157 ( -1.455 -18.959 -0.067) 19.015 8.861 ( 5.011 4.226 5.174) 8.351 9.097 ( -2.672 -0.393 -1.366) 3.027 10.090 ( 1.039 -16.843 -2.854) 17.115 11.243 ( 1.763 6.566 -0.655) 6.830 11.859 ( 0.872 -9.696 1.120) 9.799 11.978 ( -1.085 -14.781 -1.657) 14.913 12.152 ( -4.638 -6.146 0.377) 7.709 13.582 ( 4.858 2.170 0.141) 5.322 14.018 ( -2.952 9.011 -0.190) 9.484 14.533 ( 4.753 -7.778 -0.838) 9.154 14.981 ( -7.257 -2.954 2.425) 8.202 16.030 ( 1.904 15.217 -1.125) 15.376 16.159 ( -1.512 5.494 1.616) 5.923 18.115 ( -0.419 -8.516 -0.457) 8.539 19.042 ( 2.420 -4.754 -1.526) 5.548 ======================= Grid point 91 (63/481) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 1.121 -3.014 -0.409) 3.241 3.127 ( 0.401 -2.256 1.739) 2.877 3.265 ( 0.669 -3.045 -0.948) 3.258 3.753 ( 0.184 -12.077 -0.554) 12.091 4.032 ( 0.816 -13.648 0.157) 13.674 4.213 ( 9.041 -7.264 0.821) 11.626 4.379 ( -0.558 -19.770 3.470) 20.081 4.441 ( -0.875 -11.535 -4.454) 12.396 4.468 ( -8.385 1.158 -1.103) 8.536 5.048 ( 1.307 -10.218 9.613) 14.090 5.137 ( -2.622 -9.713 -8.551) 13.204 5.895 ( 0.183 -8.122 -0.029) 8.124 6.127 ( -0.185 0.082 -1.369) 1.383 6.995 ( 0.790 15.531 1.086) 15.589 8.466 ( 1.186 -12.192 0.846) 12.279 8.816 ( -0.149 3.174 -0.037) 3.178 9.164 ( -0.208 -8.630 -0.339) 8.640 10.341 ( 0.721 -9.439 -0.989) 9.518 11.126 ( -0.071 5.025 -0.164) 5.028 12.039 ( -0.049 -1.053 1.118) 1.536 12.123 ( -0.143 -15.861 -1.082) 15.898 12.476 ( -0.746 -21.132 0.110) 21.145 13.542 ( 1.999 3.358 0.289) 3.919 13.771 ( -1.552 13.526 -0.300) 13.618 14.707 ( 3.069 -5.944 -0.471) 6.706 14.996 ( -3.933 -1.285 1.010) 4.259 15.816 ( -0.033 7.460 -0.450) 7.473 16.087 ( -0.110 2.314 0.604) 2.394 18.217 ( -0.172 -2.836 -0.065) 2.842 19.095 ( 1.156 -0.353 -0.522) 1.317 ======================= Grid point 92 (64/481) ======================= q-point: ( 0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -0.000 -0.885 0.000) 0.885 3.167 ( -0.000 -1.905 0.000) 1.905 3.305 ( -0.000 -0.863 0.000) 0.863 3.942 ( -0.000 -8.041 0.000) 8.041 4.253 ( -0.000 -9.298 0.000) 9.298 4.348 ( -0.000 -4.012 0.000) 4.012 4.397 ( 0.000 1.480 -0.000) 1.480 4.592 ( -0.000 -8.817 0.000) 8.817 4.776 ( -0.000 -16.075 0.000) 16.075 5.222 ( -0.000 -8.680 0.000) 8.680 5.302 ( -0.000 -8.040 0.000) 8.040 6.009 ( -0.000 -3.687 0.000) 3.687 6.192 ( -0.000 -7.175 0.000) 7.175 6.695 ( 0.000 16.460 -0.000) 16.460 8.608 ( -0.000 -2.234 0.000) 2.234 8.764 ( 0.000 1.176 -0.000) 1.176 9.395 ( -0.000 -15.055 0.000) 15.055 10.429 ( 0.000 0.262 -0.000) 0.262 11.072 ( 0.000 0.826 -0.000) 0.826 12.054 ( -0.000 -0.563 0.000) 0.563 12.451 ( -0.000 -18.315 0.000) 18.315 12.815 ( -0.000 -14.555 0.000) 14.555 13.512 ( 0.000 0.496 -0.000) 0.496 13.521 ( 0.000 12.364 -0.000) 12.364 14.754 ( 0.000 1.944 -0.000) 1.944 15.011 ( -0.000 -2.345 0.000) 2.345 15.739 ( 0.000 1.373 -0.000) 1.373 16.069 ( -0.000 -0.060 0.000) 0.060 18.231 ( 0.000 0.787 -0.000) 0.787 19.074 ( 0.000 2.614 -0.000) 2.614 ======================= Grid point 104 (65/481) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 12.174 0.000 8.060) 14.600 2.068 ( 20.845 0.000 0.329) 20.848 2.316 ( 3.565 0.000 -5.702) 6.725 2.809 ( -1.136 -0.000 3.134) 3.334 3.015 ( -3.587 -0.000 -2.868) 4.592 3.033 ( -7.307 -0.000 -2.621) 7.763 3.206 ( -4.605 -0.000 -1.324) 4.791 3.620 ( -5.669 -0.000 -2.143) 6.060 3.932 ( 29.360 0.000 11.507) 31.534 4.796 ( 1.414 0.000 8.683) 8.798 5.204 ( -6.084 -0.000 -8.238) 10.241 5.719 ( -14.504 -0.000 -5.774) 15.611 6.441 ( 2.951 0.000 -5.432) 6.182 6.529 ( -4.700 -0.000 -0.114) 4.702 8.006 ( -1.665 -0.000 -1.394) 2.172 8.778 ( 0.017 0.000 0.164) 0.165 9.205 ( -3.992 -0.000 20.639) 21.022 9.358 ( 5.636 0.000 -0.943) 5.714 11.084 ( -3.695 -0.000 5.502) 6.627 11.404 ( -6.530 -0.000 -8.744) 10.913 12.153 ( 12.777 0.000 -10.799) 16.729 12.602 ( -11.856 -0.000 7.088) 13.813 12.920 ( -0.173 -0.000 -0.140) 0.223 13.103 ( 0.608 0.000 0.068) 0.612 14.966 ( -3.069 -0.000 3.415) 4.591 15.872 ( -5.886 -0.000 2.904) 6.564 16.439 ( -0.163 -0.000 0.031) 0.166 16.724 ( 1.796 0.000 -0.623) 1.901 17.725 ( 14.087 0.000 -8.649) 16.530 17.951 ( 0.099 0.000 -0.027) 0.103 ======================= Grid point 105 (66/481) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 16.343 -3.478 -0.184) 16.710 2.279 ( 9.817 -12.368 5.731) 16.798 2.546 ( 7.457 -18.427 -4.956) 20.487 2.906 ( -4.483 -11.053 1.259) 11.994 2.958 ( -17.116 -1.799 -2.981) 17.466 3.088 ( -0.203 -9.449 -1.286) 9.538 3.262 ( 5.360 -5.146 2.199) 7.749 3.583 ( -6.075 -1.136 -2.613) 6.710 4.153 ( 23.113 -2.325 10.632) 25.548 4.820 ( 2.253 1.532 7.110) 7.615 5.110 ( -5.974 2.930 -8.209) 10.567 5.613 ( -13.502 0.058 -5.220) 14.476 6.397 ( 3.142 3.100 -3.599) 5.695 6.651 ( -3.918 -13.604 -0.475) 14.165 7.968 ( -1.232 2.765 -0.952) 3.173 8.895 ( 0.235 -11.370 0.731) 11.396 9.190 ( -1.697 5.810 17.639) 18.649 9.372 ( 4.095 0.557 -4.060) 5.793 11.109 ( -2.727 -2.937 6.699) 7.807 11.360 ( -4.988 -2.354 -9.163) 10.695 12.118 ( 13.414 7.730 -9.665) 18.251 12.437 ( -13.450 8.190 6.548) 17.054 13.140 ( 0.724 -18.779 0.519) 18.800 13.210 ( 0.873 -9.916 -0.137) 9.955 14.946 ( -2.563 1.550 2.587) 3.957 15.505 ( -1.921 26.931 0.948) 27.017 16.433 ( -2.449 2.332 2.187) 4.028 17.030 ( 2.591 -21.681 -0.439) 21.839 17.384 ( 3.545 22.268 -4.175) 22.932 18.304 ( 4.472 -20.735 -2.850) 21.403 ======================= Grid point 106 (67/481) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 18.004 -6.204 0.065) 19.043 2.622 ( 1.374 -18.463 2.399) 18.668 2.868 ( -4.887 -8.152 0.063) 9.505 2.991 ( -4.226 -16.508 -5.660) 17.955 3.133 ( -6.947 -14.997 -2.459) 16.710 3.330 ( 3.827 -14.141 1.966) 14.781 3.480 ( 5.563 -13.425 3.200) 14.880 3.617 ( -2.887 -8.292 -1.113) 8.850 4.334 ( 11.042 -2.826 7.760) 13.789 4.811 ( 1.509 2.738 6.177) 6.922 4.992 ( -4.731 2.628 -9.279) 10.741 5.553 ( -8.774 -2.695 -3.175) 9.712 6.336 ( 2.479 4.255 -2.243) 5.411 6.961 ( -1.654 -20.121 0.110) 20.190 7.890 ( -1.170 4.025 -0.453) 4.216 9.095 ( 0.530 1.796 5.636) 5.939 9.132 ( 1.570 -0.554 9.392) 9.538 9.415 ( 0.816 -9.904 -7.374) 12.375 11.221 ( 0.756 -6.675 7.097) 9.772 11.389 ( -4.721 -7.638 -8.381) 12.282 11.971 ( 9.499 11.703 -5.559) 16.065 12.253 ( -10.626 5.229 3.861) 12.456 13.425 ( 2.259 -10.822 -0.279) 11.058 13.550 ( 0.937 -22.733 0.356) 22.755 14.894 ( 0.041 5.199 0.929) 5.281 15.019 ( -3.839 20.519 1.304) 20.916 16.356 ( -1.513 4.929 1.673) 5.421 16.868 ( 3.375 26.014 -0.630) 26.239 17.528 ( -1.145 -22.558 -1.757) 22.656 18.662 ( 3.009 -15.746 -2.118) 16.170 ======================= Grid point 107 (68/481) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 6.746 -4.487 -0.286) 8.107 2.941 ( 1.938 -11.047 2.129) 11.416 3.004 ( -5.036 -12.612 -0.951) 13.613 3.246 ( 0.963 -11.475 -2.782) 11.846 3.405 ( -3.205 -18.761 -1.414) 19.085 3.614 ( -0.422 -15.360 1.428) 15.432 3.780 ( 5.008 -15.049 1.647) 15.946 3.918 ( 1.833 -19.445 0.021) 19.531 4.435 ( -0.827 -3.185 2.020) 3.861 4.794 ( 2.087 1.690 8.101) 8.535 4.921 ( -3.216 -1.587 -9.362) 10.025 5.598 ( -2.971 -6.235 -1.104) 6.995 6.254 ( 0.999 4.836 -1.043) 5.047 7.285 ( 0.632 -9.774 0.649) 9.816 7.866 ( -1.253 -6.214 -0.286) 6.345 9.017 ( 2.915 6.711 7.061) 10.168 9.110 ( -1.317 3.341 -2.447) 4.346 9.726 ( 0.164 -20.578 -2.332) 20.710 11.327 ( 1.671 -0.222 1.374) 2.175 11.597 ( -2.314 -18.904 -2.232) 19.176 11.813 ( 2.285 5.045 -0.880) 5.608 12.143 ( -3.744 3.095 0.818) 4.926 13.590 ( 2.309 -4.539 -0.076) 5.093 13.940 ( -0.201 -16.022 0.008) 16.023 14.610 ( 1.682 14.892 -0.282) 14.990 14.905 ( -3.963 -1.547 1.322) 4.455 16.253 ( -0.145 5.759 0.802) 5.817 16.410 ( 0.581 22.966 -0.396) 22.976 17.885 ( -0.349 -15.869 -0.502) 15.881 18.911 ( 1.367 -10.082 -0.966) 10.221 ======================= Grid point 108 (69/481) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -0.000 -4.198 0.000) 4.198 3.080 ( -0.000 -3.954 0.000) 3.954 3.176 ( -0.000 -6.704 0.000) 6.704 3.499 ( -0.000 -14.772 0.000) 14.772 3.737 ( -0.000 -17.429 0.000) 17.429 3.963 ( -0.000 -21.375 0.000) 21.375 4.073 ( -0.000 -12.665 0.000) 12.665 4.219 ( -0.000 -11.960 0.000) 11.960 4.468 ( -0.000 -0.480 0.000) 0.480 4.876 ( -0.000 -8.851 0.000) 8.851 4.963 ( -0.000 -5.492 0.000) 5.492 5.730 ( -0.000 -8.580 0.000) 8.580 6.170 ( 0.000 3.943 -0.000) 3.943 7.252 ( 0.000 10.305 -0.000) 10.305 8.148 ( -0.000 -19.882 0.000) 19.882 8.916 ( 0.000 6.286 -0.000) 6.286 9.070 ( -0.000 -1.206 0.000) 1.206 10.086 ( -0.000 -17.242 0.000) 17.242 11.251 ( 0.000 7.329 -0.000) 7.329 11.868 ( -0.000 -9.630 0.000) 9.630 11.966 ( -0.000 -15.499 0.000) 15.499 12.125 ( -0.000 -6.734 0.000) 6.734 13.613 ( 0.000 2.313 -0.000) 2.313 13.999 ( 0.000 9.131 -0.000) 9.131 14.560 ( -0.000 -7.846 0.000) 7.846 14.945 ( -0.000 -2.998 0.000) 2.998 16.038 ( 0.000 16.231 -0.000) 16.231 16.155 ( 0.000 4.719 -0.000) 4.719 18.111 ( -0.000 -8.655 0.000) 8.655 19.052 ( -0.000 -4.781 0.000) 4.781 ======================= Grid point 122 (70/481) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 0.241 0.000 1.748) 1.764 2.309 ( 21.261 0.000 -0.791) 21.276 2.417 ( 14.655 0.000 1.105) 14.696 2.754 ( -9.454 -0.000 -0.797) 9.488 2.820 ( -21.019 -0.000 -2.146) 21.128 2.985 ( 0.230 0.000 -0.787) 0.819 3.268 ( 7.990 0.000 3.472) 8.712 3.525 ( -6.687 -0.000 -3.780) 7.682 4.304 ( 20.349 0.000 9.693) 22.539 4.873 ( 3.474 0.000 3.758) 5.118 5.079 ( -6.180 -0.000 -5.303) 8.143 5.519 ( -12.475 -0.000 -4.876) 13.394 6.440 ( 1.651 0.000 -3.001) 3.425 6.485 ( -2.607 -0.000 -0.069) 2.608 7.986 ( -0.712 -0.000 -0.682) 0.986 8.779 ( 0.009 0.000 0.089) 0.090 9.282 ( -2.385 -0.000 12.961) 13.178 9.400 ( 3.739 0.000 -2.737) 4.634 11.087 ( -3.140 -0.000 7.164) 7.822 11.287 ( -2.645 -0.000 -9.333) 9.700 12.230 ( 10.958 0.000 -8.389) 13.801 12.515 ( -10.770 -0.000 6.859) 12.769 12.918 ( -0.093 -0.000 -0.076) 0.120 13.109 ( 0.327 0.000 0.037) 0.329 14.960 ( -1.143 -0.000 1.843) 2.168 15.832 ( -3.058 -0.000 0.965) 3.207 16.438 ( -0.086 -0.000 0.020) 0.088 16.736 ( 0.818 0.000 -0.324) 0.880 17.808 ( 7.048 0.000 -3.753) 7.985 17.952 ( 0.051 0.000 -0.018) 0.054 ======================= Grid point 123 (71/481) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 2.235 -12.681 0.457) 12.884 2.454 ( 17.330 -2.990 0.539) 17.594 2.657 ( 11.690 -13.827 0.676) 18.119 2.719 ( -18.708 -3.902 -1.663) 19.183 2.809 ( -10.661 -12.176 -1.374) 16.242 3.096 ( 0.915 -11.025 0.066) 11.063 3.366 ( 7.092 -4.664 3.568) 9.207 3.492 ( -5.976 -2.283 -3.268) 7.184 4.418 ( 10.608 0.789 6.133) 12.278 4.878 ( 1.721 1.501 0.661) 2.377 5.004 ( -3.686 3.518 -2.821) 5.825 5.457 ( -6.884 -1.469 -2.566) 7.492 6.411 ( 1.541 2.753 -1.254) 3.395 6.613 ( -1.770 -13.966 -0.195) 14.079 7.954 ( -0.364 2.812 -0.311) 2.852 8.900 ( 0.105 -11.891 0.210) 11.893 9.265 ( -0.994 4.059 8.526) 9.495 9.378 ( 1.895 2.681 -3.867) 5.072 11.130 ( -1.361 -4.184 5.666) 7.173 11.266 ( -1.407 -1.824 -6.630) 7.019 12.213 ( 13.162 6.335 -8.501) 16.901 12.327 ( -13.230 10.120 7.518) 18.275 13.148 ( 0.227 -19.536 0.217) 19.538 13.216 ( 0.283 -10.249 -0.044) 10.253 14.939 ( -0.729 2.009 0.923) 2.328 15.493 ( -0.701 26.366 0.222) 26.376 16.423 ( -0.912 2.390 0.659) 2.642 17.047 ( 0.854 -24.843 -0.241) 24.858 17.395 ( 1.185 26.651 -1.159) 26.702 18.328 ( 1.604 -20.750 -0.929) 20.833 ======================= Grid point 124 (72/481) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -0.000 -4.296 0.000) 4.296 2.633 ( -0.000 -16.677 0.000) 16.677 2.781 ( -0.000 -9.856 0.000) 9.856 3.026 ( -0.000 -18.898 0.000) 18.898 3.030 ( -0.000 -13.682 0.000) 13.682 3.358 ( -0.000 -14.539 0.000) 14.539 3.549 ( -0.000 -8.555 0.000) 8.555 3.577 ( -0.000 -14.972 0.000) 14.972 4.435 ( 0.000 1.108 -0.000) 1.108 4.869 ( 0.000 0.111 -0.000) 0.111 4.897 ( 0.000 5.095 -0.000) 5.095 5.487 ( -0.000 -4.092 0.000) 4.092 6.345 ( 0.000 4.400 -0.000) 4.400 6.951 ( -0.000 -21.000 0.000) 21.000 7.882 ( 0.000 4.251 -0.000) 4.251 9.109 ( -0.000 -3.552 0.000) 3.552 9.189 ( 0.000 5.294 -0.000) 5.294 9.387 ( -0.000 -10.192 0.000) 10.192 11.288 ( -0.000 -12.005 0.000) 12.005 11.294 ( -0.000 -3.017 0.000) 3.017 12.018 ( 0.000 13.855 -0.000) 13.855 12.194 ( 0.000 3.347 -0.000) 3.347 13.437 ( -0.000 -11.544 0.000) 11.544 13.557 ( -0.000 -22.647 0.000) 22.647 14.899 ( 0.000 1.655 -0.000) 1.655 15.000 ( 0.000 24.575 -0.000) 24.575 16.352 ( 0.000 4.686 -0.000) 4.686 16.886 ( 0.000 26.868 -0.000) 26.868 17.516 ( -0.000 -23.019 0.000) 23.019 18.673 ( -0.000 -15.640 0.000) 15.640 ======================= Grid point 141 (73/481) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 257 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 0.000 0.000 0.000) 0.000 2.535 ( -0.000 -0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.598 ( -0.000 -0.000 -0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 3.362 ( -0.000 -0.000 -0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.415 ( 0.000 0.000 0.000) 0.000 6.440 ( 0.000 0.000 0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 7.980 ( 0.000 0.000 0.000) 0.000 8.779 ( 0.000 0.000 0.000) 0.000 9.313 ( 0.000 0.000 0.000) 0.000 9.411 ( 0.000 0.000 0.000) 0.000 11.097 ( 0.000 0.000 0.000) 0.000 11.236 ( 0.000 0.000 -0.000) 0.000 12.274 ( -0.000 -0.000 0.000) 0.000 12.467 ( 0.000 0.000 -0.000) 0.000 12.917 ( 0.000 0.000 0.000) 0.000 13.111 ( 0.000 0.000 0.000) 0.000 14.960 ( 0.000 0.000 0.000) 0.000 15.817 ( 0.000 0.000 0.000) 0.000 16.438 ( 0.000 0.000 0.000) 0.000 16.740 ( 0.000 0.000 0.000) 0.000 17.836 ( 0.000 0.000 0.000) 0.000 17.952 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 265 (74/481) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.982 0.000 22.174) 22.196 0.629 ( -0.745 -0.000 31.006) 31.015 1.058 ( -8.806 -0.000 51.498) 52.246 2.364 ( 1.881 0.000 -1.250) 2.258 2.886 ( -4.375 -0.000 -2.808) 5.199 3.118 ( 2.588 0.000 1.345) 2.916 3.227 ( 3.393 0.000 -14.471) 14.863 3.631 ( -3.835 -0.000 2.812) 4.755 4.278 ( -0.458 -0.000 -0.821) 0.940 5.087 ( 19.039 0.000 -7.616) 20.505 5.364 ( -16.265 -0.000 -3.137) 16.565 5.791 ( -2.759 -0.000 5.909) 6.522 6.840 ( -0.010 -0.000 -0.043) 0.044 6.878 ( 1.170 0.000 -0.976) 1.524 7.709 ( 48.150 0.000 3.441) 48.273 8.770 ( 0.126 0.000 0.004) 0.126 8.795 ( 3.171 0.000 2.129) 3.819 9.205 ( 25.848 0.000 -0.118) 25.848 11.733 ( 4.704 0.000 -0.785) 4.769 11.804 ( -38.635 -0.000 -5.237) 38.989 12.519 ( -22.668 -0.000 -2.411) 22.795 12.941 ( -0.231 -0.000 0.187) 0.297 12.989 ( -8.628 -0.000 5.709) 10.345 13.054 ( 0.153 0.000 -0.151) 0.215 14.005 ( 91.036 0.000 -0.349) 91.037 15.276 ( -0.113 -0.000 0.658) 0.668 16.452 ( -0.000 -0.000 -0.017) 0.017 16.574 ( -0.039 -0.000 0.438) 0.440 17.566 ( -62.235 -0.000 0.317) 62.236 17.943 ( 0.018 0.000 -0.004) 0.019 ======================= Grid point 266 (75/481) ======================= q-point: ( 0.06 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.103 -15.347 25.443) 29.713 0.960 ( 3.258 -18.617 23.973) 30.527 1.481 ( 9.227 -34.529 26.434) 44.454 2.541 ( 4.528 -16.127 1.211) 16.794 2.952 ( -1.396 -8.452 -5.437) 10.146 3.223 ( -3.144 -7.537 -11.160) 13.829 3.297 ( 2.548 -10.357 -3.724) 11.297 3.632 ( -0.171 -1.005 -1.698) 1.980 4.273 ( -2.344 -0.772 -0.638) 2.549 4.997 ( 8.802 12.513 -3.729) 15.746 5.232 ( -9.148 0.723 4.319) 10.143 5.777 ( 2.471 1.997 4.004) 5.112 6.807 ( -1.253 3.246 -2.747) 4.433 7.002 ( -7.900 -10.257 1.835) 13.076 7.840 ( 31.462 6.987 -2.711) 32.342 8.805 ( 4.480 16.246 13.201) 21.407 8.859 ( 4.191 -2.856 2.994) 5.889 8.938 ( -0.908 -1.080 9.294) 9.400 11.320 ( -19.136 11.665 12.047) 25.444 11.743 ( 1.865 1.125 0.312) 2.200 12.144 ( -1.899 5.100 5.152) 7.494 12.814 ( 2.175 6.460 -3.246) 7.550 12.989 ( 0.061 -4.228 -0.354) 4.243 13.532 ( -24.105 -17.423 -4.722) 30.115 14.703 ( 53.387 -2.718 -18.717) 56.639 15.195 ( 4.878 0.609 -6.073) 7.813 16.367 ( -2.848 5.803 9.280) 11.309 16.630 ( -1.716 2.205 9.368) 9.775 17.875 ( -24.595 -27.461 -20.411) 42.138 18.018 ( 0.793 -18.542 -12.737) 22.510 ======================= Grid point 267 (76/481) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -2.842 -15.484 25.116) 29.642 1.455 ( 11.654 -21.871 15.889) 29.438 2.345 ( 7.755 -40.482 4.764) 41.493 2.966 ( 8.546 -19.394 5.059) 21.789 3.085 ( 2.957 -10.735 -7.802) 13.596 3.390 ( -4.480 -15.663 -7.168) 17.798 3.504 ( -3.771 -11.168 3.029) 12.171 3.672 ( 0.778 -6.237 -7.571) 9.840 4.288 ( -4.436 -3.549 -1.050) 5.777 4.844 ( 3.376 5.693 -3.537) 7.504 5.199 ( -5.273 0.546 3.580) 6.397 5.779 ( 4.324 0.947 2.035) 4.872 6.704 ( -4.437 4.419 -3.641) 7.243 7.081 ( -1.986 1.481 8.426) 8.783 7.926 ( 13.801 -5.049 -5.387) 15.652 8.559 ( -0.178 11.516 16.953) 20.495 8.975 ( 3.978 -5.511 2.150) 7.129 9.219 ( -0.156 -19.408 1.173) 19.444 11.182 ( -6.642 1.751 5.811) 8.998 11.726 ( -0.851 0.498 0.351) 1.047 12.115 ( -2.835 -1.234 -0.749) 3.181 12.669 ( 2.181 8.696 -2.211) 9.234 13.053 ( 0.689 -2.069 -2.073) 3.009 13.725 ( -11.623 -16.903 -0.962) 20.536 14.678 ( 11.807 12.765 -1.932) 17.495 15.317 ( 13.816 -6.774 -15.756) 22.023 16.240 ( -4.797 9.438 12.747) 16.570 16.557 ( -2.039 7.065 9.811) 12.261 17.984 ( -6.381 -6.525 -2.847) 9.560 18.403 ( 0.286 -21.257 -24.902) 32.742 ======================= Grid point 268 (77/481) ======================= q-point: ( 0.19 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.483 -20.891 16.080) 26.367 1.978 ( 10.882 -21.264 11.767) 26.628 2.991 ( 8.187 -21.270 -3.618) 23.076 3.176 ( -0.505 -12.849 -7.307) 14.790 3.424 ( 2.213 -7.471 0.504) 7.809 3.707 ( -0.165 -18.371 -4.219) 18.850 3.747 ( 1.828 -23.024 7.290) 24.220 3.861 ( 1.779 -13.948 -4.246) 14.688 4.359 ( -5.883 -8.132 -1.921) 10.219 4.800 ( 0.223 -1.031 -3.410) 3.570 5.176 ( -4.491 -0.321 2.969) 5.393 5.806 ( 3.739 -0.923 0.266) 3.861 6.577 ( -6.018 4.131 -4.695) 8.680 6.995 ( 4.599 10.852 10.728) 15.937 8.129 ( 1.775 -11.497 -4.169) 12.357 8.467 ( 1.245 2.879 8.566) 9.122 9.108 ( 2.022 -5.896 0.758) 6.279 9.603 ( 1.301 -19.944 -0.150) 19.987 11.166 ( -3.287 -0.759 4.279) 5.449 11.742 ( -1.676 -3.527 0.391) 3.925 12.135 ( -4.458 -3.755 -4.297) 7.241 12.529 ( 2.537 6.335 -0.236) 6.829 13.071 ( 2.703 -0.463 -2.488) 3.703 14.001 ( -4.543 -16.107 0.599) 16.746 14.474 ( 2.658 12.529 -0.008) 12.808 15.443 ( 9.647 -4.809 -14.017) 17.682 16.057 ( -7.111 10.333 12.922) 18.008 16.423 ( -1.913 8.773 7.299) 11.571 18.066 ( -2.532 -5.615 -1.282) 6.292 18.651 ( 3.607 -11.795 -15.740) 19.997 ======================= Grid point 269 (78/481) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 1.925 -20.212 9.016) 22.216 2.430 ( 9.023 -16.789 9.429) 21.265 3.263 ( 3.234 -9.094 -5.140) 10.935 3.375 ( 4.283 -5.522 -0.603) 7.014 3.590 ( -1.353 -15.303 -6.623) 16.730 3.928 ( -1.162 -9.933 -5.398) 11.365 4.093 ( 1.191 -12.091 -2.702) 12.446 4.306 ( 6.439 -20.387 6.714) 22.409 4.549 ( -3.664 -17.772 -0.590) 18.156 4.852 ( -3.857 -5.437 -0.510) 6.685 5.200 ( -2.101 -3.953 1.860) 4.848 5.856 ( 1.210 -2.942 -1.051) 3.350 6.457 ( -6.613 2.749 -5.655) 9.125 6.828 ( 7.874 13.975 9.755) 18.774 8.253 ( -0.462 -1.135 3.224) 3.449 8.580 ( 0.916 -13.184 -2.591) 13.467 9.204 ( 0.019 -3.359 -0.816) 3.456 9.946 ( 2.282 -15.246 -1.250) 15.467 11.185 ( -2.577 -1.285 4.163) 5.062 11.858 ( -0.944 -9.338 0.946) 9.434 12.149 ( -1.868 -0.829 -5.558) 5.922 12.504 ( -1.768 -4.455 0.362) 4.806 13.110 ( 5.371 -2.286 -1.123) 5.944 14.226 ( -0.199 -5.185 0.187) 5.192 14.247 ( 0.056 9.451 0.266) 9.455 15.523 ( 3.926 -3.858 -10.734) 12.063 15.884 ( -6.975 6.950 9.679) 13.808 16.266 ( -2.450 8.736 6.251) 11.018 18.146 ( 0.213 -3.744 -0.508) 3.784 18.796 ( 4.436 -5.909 -9.159) 11.768 ======================= Grid point 270 (79/481) ======================= q-point: ( 0.31 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 1.959 -12.663 3.825) 13.373 2.782 ( 6.785 -13.229 8.447) 17.100 3.297 ( -2.623 0.464 -3.107) 4.093 3.615 ( 7.763 -13.711 0.612) 15.768 3.834 ( 1.434 -12.372 -8.695) 15.189 4.037 ( -0.340 -4.932 -5.644) 7.503 4.292 ( 1.242 -9.072 -0.219) 9.159 4.621 ( -0.640 -13.472 0.786) 13.510 4.899 ( -5.070 -7.064 4.283) 9.693 4.951 ( 1.685 -15.554 0.783) 15.665 5.313 ( -0.618 -7.792 0.785) 7.856 5.922 ( -1.652 -4.686 -1.349) 5.148 6.365 ( -6.289 1.005 -6.259) 8.930 6.643 ( 9.197 13.963 7.798) 18.449 8.260 ( 1.191 0.408 2.592) 2.881 8.877 ( 0.191 -18.218 -4.217) 18.700 9.225 ( -1.211 0.209 -1.603) 2.020 10.183 ( 2.939 -8.882 -1.598) 9.492 11.200 ( -3.238 -0.393 4.547) 5.596 11.996 ( 1.802 -0.582 -1.522) 2.429 12.202 ( -1.791 -12.607 -2.065) 12.900 12.653 ( -3.070 -11.143 -0.307) 11.562 13.217 ( 5.258 -5.662 0.405) 7.737 13.990 ( -3.776 12.762 -0.391) 13.314 14.326 ( 6.237 -0.432 0.140) 6.253 15.536 ( -4.772 0.195 -4.926) 6.861 15.809 ( -2.178 0.349 2.242) 3.146 16.125 ( -2.416 6.480 6.352) 9.390 18.199 ( 1.727 -1.380 -0.112) 2.214 18.870 ( 4.159 -2.110 -5.013) 6.846 ======================= Grid point 271 (80/481) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 1.286 -5.169 1.412) 5.510 3.056 ( 3.757 -9.530 7.247) 12.548 3.256 ( -1.750 1.211 -2.071) 2.969 3.892 ( 7.669 -8.612 -1.562) 11.637 4.018 ( 2.570 -10.746 -8.617) 14.012 4.108 ( -2.328 -5.456 -1.742) 6.182 4.455 ( 2.047 -7.380 1.671) 7.838 4.812 ( -2.294 -5.640 -0.990) 6.169 4.951 ( -5.575 -5.405 2.993) 8.322 5.246 ( 4.060 -10.210 2.403) 11.247 5.459 ( -1.906 -7.930 -0.164) 8.158 5.998 ( -2.847 -4.907 -0.663) 5.712 6.304 ( -3.497 0.362 -5.702) 6.699 6.475 ( 6.923 10.839 5.251) 13.892 8.283 ( 1.706 -1.286 0.939) 2.334 9.161 ( 5.034 0.163 -2.484) 5.616 9.243 ( -5.664 -17.079 -2.408) 18.154 10.295 ( 3.124 -1.400 -1.291) 3.658 11.191 ( -4.070 0.651 5.276) 6.695 11.969 ( 2.662 1.563 -3.547) 4.702 12.509 ( -1.780 -18.820 -0.283) 18.907 12.837 ( -0.652 -9.202 0.261) 9.229 13.351 ( 2.251 -4.520 1.105) 5.169 13.726 ( -4.456 12.392 -0.748) 13.190 14.369 ( 8.831 -0.903 0.010) 8.877 15.441 ( -7.561 4.158 -1.638) 8.783 15.809 ( -1.489 0.015 -1.551) 2.150 16.060 ( -0.927 1.347 5.156) 5.409 18.218 ( 2.011 0.363 0.041) 2.044 18.898 ( 3.241 -0.146 -2.506) 4.100 ======================= Grid point 272 (81/481) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 0.485 -1.770 1.099) 2.139 3.212 ( 2.001 -1.026 1.429) 2.664 3.230 ( -1.805 -2.224 2.781) 3.992 3.989 ( 6.926 -1.384 -7.402) 10.231 4.181 ( -1.862 -3.194 0.184) 3.702 4.236 ( 0.932 -10.864 -2.779) 11.253 4.609 ( 2.876 -6.576 3.721) 8.085 4.804 ( -5.035 1.668 -0.527) 5.330 5.039 ( -1.999 -3.154 2.310) 4.391 5.415 ( 3.786 -5.799 0.369) 6.935 5.555 ( -2.769 -3.092 -1.514) 4.418 6.058 ( -2.006 -2.766 0.053) 3.417 6.266 ( 3.018 2.615 -1.781) 4.372 6.374 ( -0.449 2.344 1.384) 2.759 8.326 ( 0.991 -1.903 0.190) 2.154 9.113 ( 0.952 2.759 -0.914) 3.058 9.588 ( -1.084 -19.200 -2.412) 19.381 10.255 ( 2.381 6.867 -0.258) 7.273 11.173 ( -4.001 0.567 5.418) 6.759 11.962 ( 2.997 -0.197 -3.968) 4.976 12.831 ( -1.763 -15.514 -0.250) 15.616 12.991 ( 1.064 -7.071 0.637) 7.179 13.371 ( -0.409 3.862 1.315) 4.101 13.491 ( -2.535 9.160 -0.849) 9.542 14.479 ( 7.371 -4.990 -0.260) 8.905 15.304 ( -5.904 5.129 -0.853) 7.868 15.782 ( -1.363 0.966 -0.451) 1.731 16.072 ( -0.172 -0.762 2.247) 2.379 18.216 ( 1.327 0.785 0.048) 1.543 18.905 ( 1.807 0.206 -1.106) 2.128 ======================= Grid point 273 (82/481) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -0.238 -0.275 1.520) 1.563 3.188 ( 1.129 2.551 -0.574) 2.848 3.282 ( -2.075 -1.252 3.703) 4.425 4.021 ( 5.603 -1.032 -6.787) 8.861 4.176 ( -3.214 2.240 -1.559) 4.216 4.370 ( 1.147 -2.812 -0.153) 3.040 4.699 ( -4.287 2.561 1.784) 5.303 4.776 ( 2.536 -3.945 3.133) 5.640 5.060 ( -0.283 0.147 2.711) 2.730 5.462 ( -1.967 3.287 -3.647) 5.289 5.566 ( 2.699 -0.975 -1.241) 3.127 6.071 ( -0.378 0.505 0.071) 0.635 6.232 ( -0.077 1.202 0.203) 1.221 6.392 ( 0.321 -2.976 0.924) 3.133 8.350 ( -0.512 -0.161 0.084) 0.543 9.090 ( 0.162 -0.576 -0.318) 0.677 9.847 ( 0.351 -3.373 -1.759) 3.820 10.135 ( 0.510 0.930 1.042) 1.486 11.158 ( -3.355 0.688 4.929) 6.002 11.971 ( 2.309 -0.197 -3.958) 4.587 12.995 ( -0.081 -0.242 0.050) 0.260 13.080 ( 0.154 1.471 -0.431) 1.541 13.286 ( -1.970 -0.394 0.989) 2.240 13.395 ( 1.578 -0.427 0.127) 1.640 14.564 ( 0.034 0.156 -0.558) 0.581 15.223 ( 0.252 0.120 -0.548) 0.615 15.768 ( 0.273 0.005 0.053) 0.278 16.082 ( -0.526 0.234 1.151) 1.287 18.211 ( 0.113 0.070 0.012) 0.133 18.910 ( 0.091 -0.510 -0.492) 0.715 ======================= Grid point 274 (83/481) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( -1.473 1.599 1.956) 2.925 3.105 ( -0.884 6.967 0.323) 7.031 3.299 ( -0.909 -1.094 1.867) 2.347 4.033 ( 1.173 5.461 -5.986) 8.188 4.063 ( -0.911 1.834 -3.083) 3.701 4.357 ( 0.905 4.550 1.939) 5.028 4.597 ( -4.502 4.860 0.184) 6.628 4.866 ( 4.024 -0.806 5.197) 6.622 5.040 ( 1.573 5.320 1.590) 5.771 5.331 ( -3.763 4.734 -3.552) 7.013 5.560 ( 2.192 3.664 -0.888) 4.361 6.045 ( 2.263 2.681 -0.326) 3.524 6.224 ( -4.964 -2.084 -1.625) 5.624 6.467 ( 2.438 -3.107 2.989) 4.953 8.324 ( -1.881 2.109 0.106) 2.828 9.132 ( -0.247 -3.557 -0.221) 3.572 9.654 ( 1.852 17.590 -0.228) 17.688 10.280 ( -2.056 -9.590 0.618) 9.828 11.146 ( -2.450 0.195 4.638) 5.249 11.966 ( 1.597 0.506 -3.917) 4.260 12.844 ( 1.393 14.778 0.206) 14.844 12.960 ( -0.740 7.139 -0.390) 7.188 13.347 ( -1.039 -2.712 0.356) 2.926 13.525 ( 3.469 -9.874 0.476) 10.476 14.471 ( -7.249 5.345 -0.593) 9.026 15.293 ( 6.791 -3.992 -1.219) 7.971 15.786 ( 2.256 -1.333 -0.397) 2.651 16.065 ( -1.757 1.286 2.104) 3.028 18.215 ( -1.125 -0.756 0.034) 1.356 18.923 ( -1.413 -1.491 -0.464) 2.106 ======================= Grid point 275 (84/481) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -3.541 5.680 2.851) 7.275 2.908 ( -3.796 12.641 0.363) 13.204 3.329 ( 1.091 -1.411 0.716) 1.922 3.806 ( -5.619 11.801 -3.961) 13.658 4.068 ( 4.135 0.577 -5.822) 7.164 4.251 ( 1.589 8.039 4.023) 9.128 4.470 ( -3.768 6.185 -0.710) 7.278 4.844 ( -0.174 14.467 -2.247) 14.641 4.880 ( 4.515 3.790 4.041) 7.147 5.232 ( -0.127 6.832 1.359) 6.967 5.467 ( -1.773 5.317 0.734) 5.652 5.993 ( 4.030 4.719 -0.909) 6.272 6.246 ( -7.001 -5.344 -4.659) 9.964 6.552 ( 2.088 -3.154 4.896) 6.187 8.264 ( -2.390 2.614 0.209) 3.548 9.195 ( -0.662 -2.773 -0.917) 2.995 9.307 ( 3.802 20.237 -0.578) 20.599 10.370 ( -4.335 -1.099 1.255) 4.645 11.164 ( -1.858 -1.786 4.728) 5.385 11.950 ( 2.154 0.838 -4.387) 4.959 12.538 ( 0.922 17.165 0.687) 17.203 12.827 ( 1.299 7.682 -0.058) 7.791 13.322 ( -2.317 4.174 0.113) 4.775 13.759 ( 4.185 -11.956 0.427) 12.675 14.352 ( -8.652 1.140 -0.611) 8.748 15.379 ( 9.933 0.370 -3.478) 10.530 15.849 ( 3.464 -4.193 -1.361) 5.607 16.038 ( -3.720 0.912 5.233) 6.485 18.221 ( -1.927 -0.588 0.151) 2.020 18.943 ( -2.223 -1.936 -0.926) 3.090 ======================= Grid point 276 (85/481) ======================= q-point: (-0.31 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -7.716 14.534 5.746) 17.430 2.609 ( -4.434 16.045 -0.518) 16.655 3.356 ( 1.576 -0.162 -1.129) 1.946 3.541 ( -6.682 10.449 -3.116) 12.788 4.022 ( 4.954 5.997 -4.193) 8.837 4.106 ( 2.400 10.749 4.358) 11.845 4.313 ( -3.754 7.472 -2.942) 8.864 4.532 ( -3.813 16.062 -3.423) 16.860 4.788 ( 5.246 10.581 1.467) 11.901 5.034 ( 3.945 15.329 3.617) 16.236 5.372 ( -4.820 3.187 3.534) 6.773 5.910 ( 3.460 5.725 -2.142) 7.024 6.317 ( -5.435 -7.980 -6.776) 11.796 6.648 ( -0.259 -4.632 6.850) 8.274 8.212 ( -1.867 1.578 0.624) 2.523 8.936 ( 3.089 20.238 -1.798) 20.551 9.217 ( 2.801 1.623 -1.964) 3.787 10.282 ( -5.965 7.502 1.782) 9.749 11.206 ( -3.118 -1.945 5.376) 6.512 11.911 ( 3.752 4.756 -4.670) 7.649 12.284 ( 0.803 8.499 0.414) 8.547 12.664 ( 3.202 11.330 0.133) 11.774 13.217 ( -5.063 3.315 0.502) 6.072 14.009 ( 3.518 -11.983 0.264) 12.492 14.314 ( -6.480 -0.804 -0.217) 6.534 15.358 ( 12.351 6.205 -7.670) 15.807 15.975 ( 1.826 -7.359 -1.546) 7.738 16.037 ( -4.317 -1.479 9.249) 10.314 18.209 ( -1.937 0.876 0.300) 2.147 18.958 ( -2.149 -1.388 -1.940) 3.211 ======================= Grid point 277 (86/481) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -11.771 22.803 8.889) 27.158 2.251 ( -6.139 19.722 0.693) 20.667 3.283 ( -5.708 6.153 -5.178) 9.861 3.390 ( 1.383 3.165 -0.820) 3.550 3.809 ( 4.922 21.888 7.162) 23.550 3.926 ( 1.280 8.794 -5.257) 10.325 4.077 ( -9.541 18.072 -2.843) 20.633 4.202 ( -1.933 11.811 -3.703) 12.528 4.575 ( 5.034 13.363 0.174) 14.280 4.805 ( 9.009 12.884 1.637) 15.806 5.321 ( -5.914 0.771 6.098) 8.529 5.811 ( 1.912 5.242 -3.610) 6.646 6.426 ( -1.402 -8.009 -7.512) 11.070 6.771 ( -3.738 -6.974 8.685) 11.749 8.188 ( -0.526 0.809 0.819) 1.265 8.575 ( 4.520 19.549 -2.385) 20.206 9.154 ( 3.277 5.974 -2.649) 7.311 10.038 ( -6.517 15.220 1.793) 16.653 11.225 ( -4.960 -0.593 6.191) 7.955 11.786 ( 3.844 7.739 -2.611) 9.027 12.260 ( 3.875 -3.098 -1.690) 5.241 12.464 ( 1.104 10.083 -0.591) 10.161 13.164 ( -5.360 -0.263 0.848) 5.433 14.239 ( 2.118 -8.129 0.085) 8.401 14.262 ( -4.090 1.812 1.730) 4.796 15.276 ( 15.186 6.532 -13.073) 21.076 16.058 ( -7.510 -3.781 9.547) 12.721 16.169 ( 1.309 -9.165 2.137) 9.501 18.166 ( -0.947 2.963 0.382) 3.134 18.952 ( -1.265 0.098 -3.906) 4.107 ======================= Grid point 278 (87/481) ======================= q-point: (-0.19 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -13.815 24.301 13.567) 31.072 1.798 ( -10.508 24.023 4.233) 26.560 3.099 ( -5.572 9.054 -4.712) 11.628 3.214 ( -3.522 33.682 3.182) 34.015 3.366 ( -0.201 13.087 -4.287) 13.773 3.589 ( -2.916 16.716 3.400) 17.306 3.800 ( 2.757 9.842 -2.820) 10.602 3.991 ( -1.299 10.446 -3.396) 11.061 4.402 ( 4.280 7.923 -0.631) 9.028 4.677 ( 10.574 6.791 -1.643) 12.674 5.306 ( -6.767 -0.528 6.772) 9.588 5.727 ( 1.293 3.018 -3.534) 4.824 6.544 ( 2.773 -6.688 -7.082) 10.128 6.917 ( -6.608 -8.329 10.169) 14.712 8.081 ( 4.745 15.514 -7.315) 17.797 8.338 ( 1.336 3.597 5.975) 7.101 9.028 ( 2.418 7.852 -2.185) 8.501 9.666 ( -5.900 20.540 1.785) 21.445 11.225 ( -5.532 -0.812 6.824) 8.822 11.694 ( 3.422 3.485 -1.663) 5.159 12.288 ( 0.818 5.883 3.036) 6.671 12.415 ( 3.345 -8.050 -6.516) 10.883 13.146 ( -4.200 0.122 0.250) 4.210 14.102 ( -1.337 10.812 5.495) 12.202 14.441 ( -1.239 -10.090 -2.117) 10.384 15.212 ( 18.447 5.594 -17.934) 26.329 16.134 ( -9.089 -5.721 12.196) 16.251 16.355 ( -1.640 -9.494 3.216) 10.157 18.095 ( 0.804 4.490 0.329) 4.573 18.909 ( 0.120 2.222 -8.117) 8.416 ======================= Grid point 279 (88/481) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -13.512 20.005 21.864) 32.570 1.285 ( -15.252 24.397 10.668) 30.686 2.324 ( -12.038 50.574 6.102) 52.344 2.818 ( -0.811 17.373 -1.278) 17.439 3.171 ( -1.004 8.004 -8.477) 11.702 3.395 ( 3.944 9.477 2.964) 10.684 3.614 ( 3.137 10.410 -4.131) 11.631 3.786 ( -7.276 6.716 -3.318) 10.443 4.316 ( 2.851 3.458 -1.302) 4.667 4.666 ( 11.923 0.449 -1.202) 11.991 5.301 ( -7.068 -0.965 6.226) 9.469 5.701 ( 1.386 -0.130 -0.570) 1.505 6.661 ( 6.496 -5.201 -5.529) 9.991 7.066 ( -8.013 -7.911 11.915) 16.394 7.707 ( 9.389 22.680 -11.297) 27.021 8.410 ( -0.753 -5.868 12.284) 13.635 8.895 ( 1.191 6.451 -0.806) 6.609 9.252 ( -4.474 19.936 1.936) 20.523 11.257 ( -6.843 -4.306 9.253) 12.287 11.676 ( 3.677 0.391 -1.453) 3.973 12.202 ( -5.699 2.437 2.701) 6.761 12.597 ( 8.438 -8.777 -6.170) 13.649 13.092 ( -2.466 3.666 -0.376) 4.434 13.918 ( -1.670 9.123 7.597) 11.989 14.567 ( -0.809 -4.343 -10.758) 11.630 15.151 ( 17.952 5.521 -16.655) 25.103 16.243 ( -8.271 -6.636 12.040) 16.044 16.514 ( -4.596 -7.515 5.857) 10.578 18.018 ( 2.220 4.433 0.154) 4.961 18.798 ( 0.073 6.093 -18.462) 19.442 ======================= Grid point 280 (89/481) ======================= q-point: (-0.06 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -6.350 18.909 22.087) 29.760 0.853 ( -16.065 16.665 26.163) 34.933 1.344 ( -14.714 44.511 22.103) 51.829 2.504 ( 1.194 14.072 -0.696) 14.139 2.995 ( -1.863 7.322 -3.660) 8.395 3.254 ( 9.014 8.912 -5.045) 13.643 3.381 ( -7.120 10.896 -13.149) 18.502 3.666 ( -9.264 0.755 1.314) 9.387 4.285 ( 1.110 0.850 -1.195) 1.839 4.832 ( 17.972 -9.903 2.256) 20.643 5.319 ( -8.487 -4.400 6.581) 11.606 5.737 ( 0.376 -2.367 4.013) 4.674 6.775 ( 8.665 -3.620 -3.127) 9.897 7.110 ( -12.276 8.085 -0.029) 14.699 7.416 ( 31.217 8.196 5.798) 32.792 8.655 ( 2.626 -16.525 18.886) 25.232 8.808 ( 0.960 3.271 0.846) 3.512 8.930 ( -3.509 10.877 3.569) 11.974 11.437 ( -14.608 -21.262 18.067) 31.494 11.701 ( 3.872 -0.926 -1.199) 4.157 12.153 ( -6.733 -0.878 4.984) 8.423 12.772 ( 9.731 -5.799 -5.762) 12.709 12.995 ( -0.871 4.667 0.048) 4.748 13.804 ( -7.266 3.331 5.863) 9.913 14.353 ( 20.046 32.375 -34.488) 51.375 15.167 ( 5.154 -4.845 -3.519) 7.901 16.356 ( -5.112 -5.743 8.813) 11.695 16.608 ( -4.063 -2.361 6.631) 8.127 17.963 ( 1.900 2.708 -0.070) 3.309 18.433 ( -16.031 24.643 -39.905) 49.565 ======================= Grid point 282 (90/481) ======================= q-point: ( 0.06 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 15.115 0.000 18.223) 23.676 0.900 ( 10.130 0.000 28.748) 30.480 1.451 ( 18.911 0.000 42.741) 46.738 2.387 ( 3.248 0.000 -1.457) 3.560 2.806 ( -5.389 -0.000 -3.055) 6.194 3.153 ( 1.698 0.000 1.056) 1.999 3.178 ( 3.286 0.000 -16.639) 16.960 3.620 ( 0.825 0.000 -3.977) 4.062 4.249 ( -4.055 -0.000 -0.587) 4.098 5.124 ( -13.661 -0.000 -4.485) 14.378 5.231 ( 7.337 0.000 -2.276) 7.682 5.834 ( 3.450 0.000 4.928) 6.016 6.810 ( -9.177 -0.000 -1.751) 9.343 6.827 ( -2.208 -0.000 -0.057) 2.209 8.056 ( 17.363 0.000 -6.860) 18.669 8.772 ( 0.126 0.000 0.043) 0.133 8.872 ( 7.174 0.000 3.099) 7.815 9.383 ( 8.309 0.000 -4.099) 9.265 11.372 ( -29.886 -0.000 7.937) 30.922 11.766 ( 0.823 0.000 0.865) 1.194 12.304 ( -18.971 -0.000 7.174) 20.282 12.882 ( -7.257 -0.000 1.150) 7.348 12.939 ( -0.319 -0.000 0.148) 0.352 13.057 ( 0.492 0.000 -0.129) 0.508 15.023 ( 71.561 0.000 -34.190) 79.309 15.343 ( 27.952 0.000 -6.870) 28.784 16.451 ( -0.102 -0.000 -0.017) 0.103 16.586 ( 0.788 0.000 1.093) 1.348 17.044 ( -42.279 -0.000 21.760) 47.550 17.943 ( 0.087 0.000 -0.002) 0.087 ======================= Grid point 283 (91/481) ======================= q-point: ( 0.12 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 6.904 -7.792 25.705) 27.733 1.191 ( 12.777 -22.704 16.359) 30.762 1.850 ( 23.408 -18.983 22.740) 37.755 2.617 ( 6.042 -20.281 2.744) 21.339 2.888 ( -3.064 -11.071 -4.143) 12.211 3.131 ( -0.533 -2.984 -11.911) 12.291 3.289 ( -0.832 -10.347 -0.846) 10.415 3.607 ( 0.240 -0.244 -6.483) 6.492 4.218 ( -6.483 -0.504 -0.565) 6.527 4.966 ( -6.815 6.484 -2.484) 9.730 5.221 ( 2.872 2.841 -1.065) 4.178 5.849 ( 5.125 2.205 3.858) 6.784 6.717 ( -9.634 2.544 -3.465) 10.550 6.940 ( -5.047 -11.035 0.952) 12.171 8.047 ( 10.829 5.627 -5.203) 13.266 8.883 ( 0.787 -9.007 0.497) 9.055 8.948 ( 9.582 -0.309 2.304) 9.860 9.046 ( 1.491 22.676 17.101) 28.440 11.205 ( -10.795 3.469 6.890) 13.267 11.747 ( -1.123 1.945 0.948) 2.438 12.126 ( -7.454 4.644 2.570) 9.151 12.800 ( -0.714 5.095 -1.147) 5.271 12.991 ( 0.807 -4.186 -0.583) 4.303 13.306 ( -10.714 -18.613 -2.966) 21.681 15.122 ( 20.863 25.448 -3.132) 33.056 15.222 ( 21.288 -4.509 -18.499) 28.561 16.428 ( 3.258 6.297 9.521) 11.871 16.681 ( -1.307 2.647 10.323) 10.737 17.461 ( -18.167 -41.924 -20.006) 49.880 18.018 ( 3.633 -9.188 -3.495) 10.480 ======================= Grid point 284 (92/481) ======================= q-point: ( 0.19 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 4.181 -12.282 20.633) 24.373 1.726 ( 16.929 -19.585 14.303) 29.576 2.503 ( 13.607 -30.432 4.046) 33.580 3.024 ( 3.172 -5.912 -7.092) 9.762 3.145 ( 6.191 -24.486 2.259) 25.357 3.296 ( -1.310 -20.266 -3.444) 20.599 3.493 ( -2.979 -9.749 3.949) 10.932 3.623 ( 0.174 -7.181 -7.709) 10.537 4.204 ( -8.756 -3.448 -0.937) 9.457 4.831 ( -0.479 4.335 -3.480) 5.580 5.174 ( -1.956 1.900 0.515) 2.775 5.847 ( 4.751 1.978 2.027) 5.531 6.588 ( -9.932 3.490 -4.652) 11.510 7.101 ( -2.404 -5.527 4.800) 7.704 8.007 ( 5.536 0.197 -4.301) 7.013 8.698 ( 4.470 15.597 16.405) 23.073 9.033 ( 3.128 -4.470 2.284) 5.914 9.238 ( 2.650 -18.756 0.206) 18.943 11.156 ( -3.396 0.279 4.171) 5.386 11.708 ( -2.064 0.785 0.193) 2.217 12.047 ( -7.857 -0.408 -2.088) 8.140 12.679 ( 0.882 7.462 -0.470) 7.528 13.061 ( 3.651 -2.170 -2.108) 4.742 13.609 ( -7.082 -20.594 -0.891) 21.795 14.787 ( 7.758 18.608 -0.187) 20.161 15.344 ( 7.226 -5.439 -13.403) 16.169 16.298 ( 0.968 12.199 11.619) 16.875 16.594 ( -2.593 7.729 9.013) 12.153 17.846 ( -9.133 -15.956 -8.633) 20.311 18.319 ( 7.199 -19.169 -15.151) 25.472 ======================= Grid point 285 (93/481) ======================= q-point: ( 0.25 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 5.234 -18.249 12.588) 22.779 2.216 ( 15.921 -17.437 12.240) 26.596 3.082 ( 9.821 -20.295 -1.735) 22.613 3.126 ( -0.357 -10.740 -5.965) 12.291 3.424 ( 0.871 -4.056 -4.089) 5.825 3.631 ( -3.965 -17.102 -6.373) 18.677 3.795 ( -0.993 -18.973 -0.546) 19.007 3.944 ( 9.893 -24.127 8.254) 27.351 4.258 ( -9.185 -9.089 -1.433) 13.001 4.780 ( 0.344 -0.145 -2.675) 2.701 5.146 ( -3.229 -0.634 0.885) 3.408 5.847 ( 2.703 0.727 0.227) 2.808 6.450 ( -9.158 3.233 -5.642) 11.232 7.113 ( 4.046 6.804 8.253) 11.436 8.106 ( -1.445 -10.079 -3.176) 10.666 8.560 ( 4.577 6.863 9.152) 12.321 9.132 ( 1.278 -4.087 0.422) 4.303 9.624 ( 2.901 -19.704 -1.193) 19.952 11.165 ( -1.288 -0.938 3.651) 3.983 11.721 ( -2.056 -4.053 0.368) 4.559 12.041 ( -6.820 -4.724 -4.161) 9.281 12.539 ( -1.036 6.682 -0.108) 6.763 13.114 ( 7.159 -1.202 -1.706) 7.457 13.962 ( -2.536 -18.931 0.240) 19.101 14.501 ( 1.809 15.246 0.083) 15.353 15.422 ( 0.921 -4.697 -10.760) 11.776 16.087 ( -1.086 13.301 10.314) 16.866 16.442 ( -2.983 9.219 6.784) 11.829 18.018 ( -3.257 -9.276 -2.587) 10.166 18.619 ( 7.013 -12.866 -12.367) 19.174 ======================= Grid point 286 (94/481) ======================= q-point: ( 0.31 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 5.393 -17.592 6.764) 19.603 2.625 ( 12.632 -13.056 10.719) 21.094 3.228 ( -1.828 -5.366 -5.019) 7.571 3.454 ( 7.671 -7.927 -0.991) 11.076 3.542 ( 0.280 -16.045 -4.925) 16.786 3.876 ( -0.177 -11.219 -7.183) 13.323 4.084 ( 0.033 -13.641 -1.825) 13.762 4.350 ( -4.456 -13.580 1.274) 14.349 4.562 ( 4.321 -23.514 4.965) 24.418 4.816 ( -2.476 -3.943 0.660) 4.702 5.183 ( -2.223 -5.107 0.343) 5.581 5.857 ( 0.127 -1.237 -0.939) 1.558 6.331 ( -7.573 1.962 -6.252) 10.015 6.981 ( 7.495 12.925 8.253) 17.068 8.264 ( -1.241 -5.029 2.574) 5.784 8.588 ( 2.777 -7.714 -0.782) 8.236 9.193 ( -0.691 -2.270 -1.409) 2.760 9.968 ( 3.274 -15.224 -1.799) 15.675 11.186 ( -1.618 -0.710 3.592) 4.003 11.854 ( -1.131 -10.539 1.525) 10.709 12.090 ( -2.073 -3.276 -4.999) 6.326 12.467 ( -4.720 -2.984 0.048) 5.584 13.186 ( 8.429 -2.173 -0.461) 8.717 14.203 ( -2.960 6.105 -0.141) 6.786 14.273 ( 3.457 -2.925 -0.012) 4.529 15.457 ( -4.335 -3.165 -7.342) 9.095 15.892 ( -1.101 8.812 5.997) 10.716 16.275 ( -3.236 8.647 6.327) 11.193 18.143 ( -0.097 -5.530 -0.833) 5.593 18.803 ( 6.455 -6.504 -7.604) 11.907 ======================= Grid point 287 (95/481) ======================= q-point: ( 0.38 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 4.089 -10.309 2.940) 11.473 2.930 ( 8.048 -9.915 9.390) 15.852 3.245 ( -2.576 -0.524 -3.051) 4.028 3.688 ( 4.817 -13.956 -2.609) 14.992 3.817 ( 4.157 -11.982 -4.366) 13.413 4.001 ( 1.247 -5.063 -6.671) 8.467 4.306 ( 1.589 -10.282 -0.163) 10.405 4.589 ( -4.283 -14.434 -0.084) 15.056 4.856 ( -5.950 -3.016 3.045) 7.333 5.008 ( 3.282 -17.848 3.982) 18.579 5.301 ( -1.763 -7.832 -0.462) 8.041 5.895 ( -1.413 -3.724 -1.013) 4.110 6.253 ( -5.370 0.010 -6.250) 8.240 6.790 ( 7.648 14.479 6.606) 17.657 8.302 ( 2.912 0.660 2.959) 4.203 8.849 ( -0.468 -18.175 -3.433) 18.502 9.199 ( -1.102 0.354 -2.201) 2.487 10.211 ( 3.678 -8.969 -1.601) 9.825 11.191 ( -3.254 0.078 4.184) 5.301 12.006 ( 1.807 0.161 -1.603) 2.421 12.171 ( -1.646 -14.128 -1.418) 14.294 12.612 ( -3.719 -12.881 -0.045) 13.407 13.287 ( 6.303 -3.868 0.472) 7.410 13.942 ( -4.038 13.487 -0.503) 14.088 14.402 ( 6.922 -2.441 -0.205) 7.342 15.429 ( -8.659 0.389 -2.927) 9.149 15.802 ( -0.401 1.819 -0.009) 1.863 16.140 ( -2.448 5.822 6.323) 8.937 18.216 ( 1.126 -2.106 -0.182) 2.395 18.896 ( 5.606 -2.072 -4.214) 7.313 ======================= Grid point 288 (96/481) ======================= q-point: ( 0.44 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 2.247 -3.797 1.464) 4.648 3.148 ( 3.003 -6.533 7.748) 10.570 3.227 ( -0.626 0.196 -2.199) 2.295 3.963 ( 5.321 -8.990 -2.756) 10.804 3.990 ( 4.601 -8.586 -9.947) 13.922 4.090 ( 0.167 -6.561 1.139) 6.661 4.495 ( 2.737 -8.464 1.796) 9.075 4.769 ( -3.819 -3.828 -0.862) 5.475 4.904 ( -6.085 -7.980 3.097) 10.503 5.296 ( 1.227 -9.963 2.851) 10.436 5.426 ( -2.733 -7.128 -1.684) 7.817 5.970 ( -1.200 -4.912 -0.333) 5.067 6.233 ( -2.222 -2.375 -5.082) 6.034 6.581 ( 5.284 13.587 4.528) 15.265 8.323 ( 4.077 -0.080 1.081) 4.218 9.128 ( -7.632 -3.857 -1.417) 8.668 9.231 ( 5.689 -14.130 -2.838) 15.494 10.326 ( 3.502 -1.179 -1.080) 3.850 11.176 ( -4.390 0.573 5.058) 6.722 11.978 ( 3.035 1.382 -3.642) 4.938 12.488 ( -1.631 -18.700 0.029) 18.771 12.831 ( -0.608 -10.904 0.324) 10.926 13.386 ( 2.595 -2.582 0.996) 3.794 13.672 ( -4.063 12.217 -0.743) 12.897 14.471 ( 8.647 -1.222 -0.196) 8.735 15.336 ( -8.725 3.007 -1.233) 9.311 15.781 ( -1.509 0.308 -1.515) 2.161 16.082 ( -0.926 1.420 4.542) 4.848 18.237 ( 1.010 0.306 0.029) 1.055 18.928 ( 4.416 0.467 -2.105) 4.915 ======================= Grid point 289 (97/481) ======================= q-point: ( 0.50 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 0.941 -1.102 1.508) 2.092 3.212 ( -0.110 -0.012 -1.007) 1.013 3.263 ( 0.540 -1.854 5.238) 5.582 4.019 ( 6.626 -0.624 -7.271) 9.857 4.143 ( -1.377 -4.526 -4.087) 6.251 4.263 ( 3.410 -8.702 1.993) 9.556 4.668 ( 2.904 -7.056 3.629) 8.449 4.734 ( -6.492 1.428 -0.609) 6.675 5.031 ( -2.418 -4.524 3.156) 6.023 5.437 ( 0.484 -4.592 -1.604) 4.888 5.509 ( -3.055 -4.129 -1.394) 5.322 6.043 ( -0.492 -3.069 0.108) 3.110 6.279 ( 2.294 -2.602 -2.536) 4.297 6.394 ( 0.620 8.104 2.770) 8.586 8.353 ( 3.569 -0.253 0.191) 3.583 9.083 ( -5.031 1.017 -0.736) 5.185 9.585 ( 2.769 -18.421 -1.879) 18.723 10.281 ( 2.338 7.244 -0.136) 7.614 11.161 ( -4.119 0.217 5.201) 6.638 11.973 ( 3.401 0.142 -4.013) 5.262 12.811 ( -1.455 -15.748 -0.083) 15.815 13.006 ( 0.938 -7.516 0.392) 7.584 13.365 ( -1.853 6.475 1.032) 6.813 13.473 ( 0.050 5.985 -0.477) 6.004 14.554 ( 5.782 -2.186 -0.423) 6.196 15.230 ( -5.732 2.348 -0.710) 6.235 15.765 ( -1.114 -0.036 -0.367) 1.174 16.083 ( -0.354 -0.184 2.039) 2.078 18.224 ( 0.108 1.104 0.046) 1.110 18.925 ( 2.836 1.287 -0.949) 3.256 ======================= Grid point 290 (98/481) ======================= q-point: (-0.44 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -0.209 0.335 1.751) 1.795 3.198 ( 1.178 2.490 -0.454) 2.792 3.285 ( -1.668 -0.238 3.545) 3.925 4.044 ( 5.256 -0.779 -5.578) 7.703 4.132 ( -0.953 3.462 -3.330) 4.897 4.393 ( 2.121 -2.231 0.908) 3.209 4.642 ( -6.041 3.158 0.171) 6.819 4.837 ( 2.963 -6.264 4.365) 8.190 5.071 ( -1.464 -0.949 3.600) 4.000 5.400 ( -3.481 5.321 -4.776) 7.953 5.582 ( 1.461 -2.836 -1.307) 3.448 6.075 ( 0.888 -0.371 0.282) 1.003 6.226 ( -1.204 4.636 0.287) 4.798 6.413 ( 1.963 -4.712 0.803) 5.167 8.360 ( 2.053 1.660 0.047) 2.641 9.058 ( -5.111 -2.079 -0.360) 5.529 9.862 ( 3.943 -4.337 -1.857) 6.149 10.143 ( -0.429 2.944 1.187) 3.203 11.152 ( -3.293 0.314 4.877) 5.893 11.973 ( 2.565 0.457 -3.979) 4.756 12.994 ( -0.181 -1.540 0.038) 1.551 13.081 ( 0.365 2.986 -0.457) 3.043 13.264 ( -2.384 -1.472 0.815) 2.918 13.427 ( 3.288 -1.376 0.386) 3.585 14.545 ( -2.549 4.958 -0.614) 5.609 15.230 ( 1.466 -4.302 -0.564) 4.580 15.773 ( 0.447 -1.093 0.071) 1.183 16.083 ( -0.681 0.663 1.215) 1.543 18.205 ( -1.049 0.489 0.025) 1.158 18.913 ( 1.093 0.770 -0.521) 1.435 ======================= Grid point 291 (99/481) ======================= q-point: (-0.38 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -1.530 2.353 1.948) 3.417 3.097 ( -1.323 8.550 0.925) 8.701 3.307 ( 0.254 -1.711 1.386) 2.217 3.982 ( -2.662 9.778 -3.198) 10.627 4.073 ( 5.866 -0.299 -5.627) 8.134 4.383 ( 1.241 4.051 1.695) 4.563 4.542 ( -5.039 4.202 0.154) 6.563 4.943 ( 3.262 -1.060 4.925) 6.002 5.058 ( -0.170 6.768 1.214) 6.878 5.259 ( -4.698 1.704 -2.773) 5.715 5.574 ( 1.560 4.253 -1.004) 4.640 6.076 ( 3.151 1.730 -0.166) 3.599 6.157 ( -4.793 0.757 -1.124) 4.981 6.512 ( 2.221 -3.837 1.864) 4.809 8.316 ( 0.335 3.517 0.091) 3.534 9.098 ( -4.556 -4.963 -0.515) 6.757 9.689 ( 4.318 17.723 -0.973) 18.267 10.259 ( -2.140 -8.521 0.556) 8.803 11.149 ( -2.342 -0.342 4.801) 5.353 11.960 ( 1.881 0.733 -3.887) 4.380 12.861 ( 1.512 14.732 -0.045) 14.809 12.950 ( -0.698 6.383 -0.033) 6.421 13.337 ( -1.120 -2.887 0.513) 3.138 13.575 ( 4.479 -10.060 0.316) 11.016 14.379 ( -7.691 7.215 -0.526) 10.558 15.360 ( 6.172 -5.963 -1.405) 8.697 15.809 ( 2.104 -2.054 -0.499) 2.982 16.059 ( -2.067 1.593 2.534) 3.637 18.197 ( -1.978 -0.478 0.055) 2.035 18.909 ( -0.313 -0.354 -0.709) 0.852 ======================= Grid point 292 (100/481) ======================= q-point: (-0.31 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -3.079 6.669 3.053) 7.954 2.875 ( -2.862 13.924 1.295) 14.274 3.349 ( 1.592 -1.617 0.200) 2.278 3.729 ( -3.174 13.514 -3.471) 14.309 4.080 ( 4.923 1.206 -6.350) 8.125 4.294 ( 0.955 6.404 2.655) 6.998 4.423 ( -3.404 6.227 0.329) 7.105 4.803 ( -3.044 15.957 -3.286) 16.573 4.955 ( 3.635 3.726 4.012) 6.572 5.239 ( -1.294 2.757 2.148) 3.727 5.458 ( -0.228 7.550 0.740) 7.590 6.032 ( 3.640 4.896 -1.014) 6.184 6.148 ( -5.067 -4.048 -2.964) 7.130 6.594 ( 0.522 -3.354 2.921) 4.478 8.249 ( -0.539 3.171 0.320) 3.232 9.152 ( -3.897 -1.629 -1.543) 4.497 9.364 ( 5.591 17.546 -1.127) 18.450 10.329 ( -3.717 -0.072 0.624) 3.770 11.174 ( -1.955 -1.696 4.922) 5.561 11.949 ( 2.458 0.380 -4.125) 4.817 12.552 ( 0.894 17.363 0.180) 17.387 12.841 ( 0.986 6.188 0.069) 6.267 13.300 ( -1.783 5.862 0.468) 6.145 13.811 ( 4.302 -11.695 0.228) 12.463 14.252 ( -7.844 0.513 -0.454) 7.874 15.465 ( 9.070 -0.437 -3.896) 9.881 15.874 ( 2.304 -4.011 -1.458) 4.850 16.030 ( -4.102 0.510 6.240) 7.485 18.197 ( -2.312 -0.615 0.140) 2.397 18.917 ( -0.959 -1.127 -1.536) 2.133 ======================= Grid point 293 (101/481) ======================= q-point: (-0.25 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -6.306 16.552 6.643) 18.917 2.574 ( -1.977 16.606 0.896) 16.747 3.366 ( 2.022 2.755 -1.948) 3.933 3.461 ( -3.667 9.027 -2.453) 10.048 4.030 ( 3.878 4.577 -7.359) 9.494 4.178 ( 2.233 8.888 4.001) 10.000 4.253 ( -2.863 10.664 -0.318) 11.046 4.451 ( -4.797 17.117 -3.704) 18.159 4.852 ( 3.743 11.260 1.682) 11.985 5.099 ( 2.598 12.327 2.607) 12.864 5.339 ( -4.402 3.610 2.939) 6.407 5.934 ( 2.908 6.823 -2.023) 7.688 6.237 ( -1.839 -8.409 -3.519) 9.299 6.671 ( -2.344 -4.409 4.409) 6.661 8.204 ( -0.398 1.370 1.012) 1.749 8.946 ( 1.457 18.076 -2.863) 18.359 9.238 ( 2.774 2.238 -1.573) 3.896 10.229 ( -4.687 8.163 0.847) 9.451 11.206 ( -3.070 -1.073 5.360) 6.269 11.928 ( 4.034 3.741 -3.947) 6.771 12.291 ( 0.481 8.482 -0.576) 8.515 12.694 ( 1.820 11.069 -0.079) 11.218 13.169 ( -3.631 4.427 0.542) 5.751 14.049 ( 2.997 -11.122 0.236) 11.521 14.246 ( -5.109 -2.547 -0.017) 5.709 15.446 ( 11.742 6.082 -7.943) 15.426 15.966 ( -3.334 -4.904 2.090) 6.287 16.060 ( -1.672 -4.027 7.079) 8.314 18.188 ( -1.901 0.448 0.218) 1.966 18.924 ( -0.796 -0.845 -3.255) 3.456 ======================= Grid point 294 (102/481) ======================= q-point: (-0.19 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -8.579 23.916 10.824) 27.618 2.215 ( -2.458 21.823 2.892) 22.150 3.202 ( -1.903 8.374 -4.892) 9.884 3.400 ( 1.589 1.788 -1.722) 2.947 3.862 ( -3.707 18.331 -6.682) 19.860 3.919 ( 3.487 20.812 6.018) 21.943 3.993 ( -1.606 12.629 0.208) 12.732 4.155 ( -1.068 9.782 -5.088) 11.078 4.620 ( 2.525 13.350 -0.105) 13.588 4.897 ( 5.431 11.253 0.371) 12.501 5.286 ( -6.302 0.556 4.903) 8.004 5.815 ( 2.179 6.121 -2.533) 6.974 6.395 ( 3.162 -8.861 -3.657) 10.094 6.768 ( -5.758 -6.623 6.787) 11.095 8.197 ( 0.536 0.478 1.485) 1.650 8.600 ( 2.667 18.310 -2.728) 18.703 9.175 ( 2.816 5.953 -1.812) 6.830 9.982 ( -4.659 15.443 1.016) 16.162 11.210 ( -4.553 0.038 5.905) 7.457 11.817 ( 3.842 7.648 -1.891) 8.765 12.277 ( 2.019 -5.244 -4.063) 6.934 12.470 ( 0.343 12.020 0.653) 12.043 13.116 ( -3.265 -0.102 -0.144) 3.269 14.232 ( -3.029 2.282 1.778) 4.189 14.258 ( 1.108 -9.150 -0.074) 9.217 15.364 ( 14.672 6.257 -12.621) 20.340 16.027 ( -8.981 -4.247 9.801) 13.956 16.199 ( 0.352 -8.055 3.863) 8.940 18.156 ( -0.934 2.135 0.223) 2.341 18.909 ( -0.169 0.714 -6.629) 6.670 ======================= Grid point 295 (103/481) ======================= q-point: (-0.12 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -9.562 24.136 17.436) 31.273 1.755 ( -3.141 26.471 6.970) 27.553 2.997 ( -3.101 15.171 -7.104) 17.037 3.239 ( -0.726 35.232 7.628) 36.055 3.322 ( 1.685 9.056 -7.665) 11.983 3.608 ( -0.104 13.732 5.196) 14.683 3.805 ( 1.704 9.832 -3.835) 10.690 3.941 ( -1.659 11.644 -5.748) 13.092 4.429 ( 1.285 7.964 -0.940) 8.122 4.767 ( 6.737 5.429 -1.836) 8.844 5.265 ( -7.112 -0.426 5.237) 8.843 5.733 ( 2.354 2.921 -1.231) 3.948 6.567 ( 7.238 -7.316 -3.679) 10.929 6.900 ( -7.672 -8.618 10.041) 15.295 8.099 ( 5.679 15.095 -6.179) 17.271 8.381 ( -0.962 2.085 6.783) 7.161 9.048 ( 2.662 8.192 -0.747) 8.646 9.620 ( -3.662 20.283 1.317) 20.653 11.204 ( -5.637 -0.667 6.385) 8.543 11.726 ( 3.400 3.439 -1.153) 4.972 12.264 ( -4.045 6.440 -1.324) 7.719 12.447 ( 5.966 -8.693 -2.938) 10.945 13.105 ( -2.382 -0.016 -1.174) 2.656 14.099 ( -4.512 9.751 3.809) 11.399 14.427 ( 1.192 -8.152 -1.759) 8.425 15.307 ( 17.747 5.160 -16.887) 25.035 16.106 ( -10.359 -6.358 13.207) 17.949 16.367 ( -1.188 -8.262 5.185) 9.827 18.100 ( -0.127 3.495 0.135) 3.500 18.836 ( -0.129 4.051 -13.533) 14.127 ======================= Grid point 296 (104/481) ======================= q-point: (-0.06 0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -10.134 17.014 27.752) 34.093 1.275 ( 0.714 26.174 13.358) 29.395 2.277 ( -2.166 48.244 5.329) 48.586 2.851 ( 5.095 19.010 3.277) 19.952 3.117 ( 1.638 8.512 -9.048) 12.530 3.436 ( 0.529 9.360 0.641) 9.397 3.568 ( -3.942 13.745 -6.726) 15.803 3.708 ( -1.521 7.324 -3.669) 8.332 4.322 ( -0.454 3.621 -1.057) 3.800 4.786 ( 9.273 -3.550 -1.295) 10.014 5.251 ( -7.745 -0.787 4.797) 9.144 5.727 ( 2.494 -0.466 1.478) 2.936 6.718 ( 5.882 -5.582 -3.287) 8.750 7.056 ( -6.340 -6.806 11.798) 15.024 7.790 ( 14.933 16.296 -7.258) 23.264 8.475 ( -2.910 -8.115 14.848) 17.169 8.921 ( 3.083 6.605 1.024) 7.361 9.225 ( -2.377 19.571 1.654) 19.784 11.225 ( -8.377 -3.714 8.176) 12.281 11.713 ( 3.236 -0.006 -0.761) 3.325 12.150 ( -4.276 2.783 0.834) 5.170 12.648 ( 5.553 -9.618 -4.284) 11.903 13.066 ( -1.031 2.781 -1.272) 3.227 13.868 ( -11.657 10.580 2.010) 15.870 14.566 ( 10.148 -4.674 -6.125) 12.741 15.244 ( 16.832 6.370 -16.409) 24.354 16.231 ( -7.909 -7.624 12.957) 16.987 16.521 ( -2.625 -6.757 8.430) 11.118 18.029 ( -0.773 3.777 -0.052) 3.856 18.614 ( -4.098 13.690 -27.043) 30.586 ======================= Grid point 299 (105/481) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 19.935 0.000 14.384) 24.583 1.211 ( 11.770 0.000 25.556) 28.136 1.997 ( 31.461 0.000 30.350) 43.715 2.405 ( 2.062 0.000 -3.862) 4.377 2.739 ( -3.278 -0.000 -0.341) 3.295 3.087 ( -0.157 -0.000 -13.692) 13.693 3.166 ( -0.099 -0.000 -0.032) 0.104 3.585 ( -0.335 -0.000 -7.442) 7.450 4.172 ( -8.493 -0.000 -0.604) 8.515 4.957 ( -11.372 -0.000 0.029) 11.372 5.281 ( 5.615 0.000 -6.932) 8.921 5.922 ( 5.620 0.000 4.528) 7.217 6.664 ( -12.150 -0.000 -4.001) 12.792 6.789 ( -4.145 -0.000 -0.070) 4.146 8.121 ( 2.748 0.000 -3.997) 4.850 8.774 ( 0.124 0.000 0.049) 0.133 8.989 ( 9.066 0.000 2.708) 9.462 9.404 ( -2.210 -0.000 3.190) 3.881 11.200 ( -10.612 -0.000 6.240) 12.311 11.774 ( 0.301 0.000 0.220) 0.373 12.126 ( -18.484 -0.000 3.323) 18.781 12.838 ( -1.412 -0.000 -0.081) 1.414 12.936 ( -0.387 -0.000 0.142) 0.413 13.063 ( 0.771 0.000 -0.125) 0.781 15.160 ( 1.714 0.000 -7.389) 7.585 15.841 ( 56.504 0.000 -34.703) 66.310 16.449 ( -0.179 -0.000 -0.010) 0.179 16.613 ( 0.931 0.000 7.708) 7.764 16.828 ( -18.447 -0.000 16.744) 24.913 17.945 ( 0.135 0.000 -0.010) 0.135 ======================= Grid point 300 (106/481) ======================= q-point: ( 0.19 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 9.301 -2.735 21.914) 23.963 1.462 ( 17.330 -22.952 12.069) 31.190 2.262 ( 25.165 -7.548 10.876) 28.435 2.694 ( 3.131 -22.457 1.595) 22.730 2.865 ( 2.959 -12.868 0.331) 13.208 3.063 ( 1.682 -3.247 -6.182) 7.183 3.271 ( -1.712 -10.554 -0.152) 10.693 3.552 ( -1.425 -0.028 -7.628) 7.760 4.114 ( -10.918 -0.305 -0.253) 10.925 4.877 ( -5.598 2.482 -0.815) 6.178 5.233 ( 2.398 4.277 -5.492) 7.363 5.935 ( 4.700 2.953 3.469) 6.545 6.559 ( -11.974 1.916 -5.035) 13.130 6.886 ( -5.149 -11.481 0.484) 12.592 8.077 ( 0.906 3.716 -3.232) 5.007 8.889 ( 0.019 -10.811 0.350) 10.817 9.069 ( 9.299 -2.454 0.563) 9.634 9.163 ( 0.634 20.547 13.968) 24.853 11.161 ( -3.867 0.814 4.827) 6.238 11.741 ( 0.034 2.964 -0.295) 2.979 11.999 ( -14.626 1.902 -0.724) 14.767 12.791 ( -1.016 4.359 0.535) 4.508 13.006 ( 2.751 -5.323 -0.446) 6.009 13.216 ( -3.602 -15.042 -1.317) 15.523 15.137 ( -2.753 4.053 -2.308) 5.416 15.429 ( 21.098 25.430 -13.540) 35.709 16.570 ( 7.969 8.980 11.831) 16.856 16.728 ( -1.055 4.205 7.584) 8.736 17.198 ( -5.897 -40.892 -17.181) 44.745 18.043 ( 4.376 -10.406 -2.976) 11.674 ======================= Grid point 301 (107/481) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 8.170 -9.531 15.101) 19.638 2.021 ( 18.614 -19.996 11.296) 29.562 2.697 ( 15.042 -21.579 3.236) 26.503 3.014 ( 3.172 -4.027 -7.962) 9.469 3.106 ( -3.895 -23.390 -4.871) 24.207 3.371 ( 5.671 -16.689 0.538) 17.634 3.480 ( -2.845 -8.749 1.804) 9.375 3.616 ( 5.771 -16.343 2.019) 17.449 4.077 ( -12.387 -3.572 -0.053) 12.892 4.807 ( 0.002 2.561 -2.526) 3.597 5.149 ( -1.412 2.854 -2.908) 4.312 5.904 ( 2.378 3.121 1.657) 4.259 6.430 ( -10.475 2.697 -5.649) 12.203 7.091 ( -3.479 -10.564 2.924) 11.500 8.009 ( -0.373 1.339 -2.943) 3.255 8.861 ( 5.768 16.462 13.668) 22.161 9.073 ( 1.409 -4.737 2.023) 5.340 9.279 ( 4.688 -16.528 -1.468) 17.243 11.161 ( -0.538 -0.362 4.226) 4.275 11.690 ( -0.272 1.480 -1.239) 1.949 11.909 ( -12.434 -1.948 -2.894) 12.914 12.669 ( -2.950 7.409 0.510) 7.991 13.116 ( 7.676 -3.211 -1.254) 8.415 13.548 ( -3.202 -21.837 -0.189) 22.071 14.852 ( 3.687 20.182 0.099) 20.517 15.306 ( 0.069 -2.583 -10.215) 10.537 16.409 ( 4.330 15.222 11.130) 19.348 16.612 ( -2.489 8.393 5.372) 10.271 17.694 ( -6.050 -21.834 -8.924) 24.351 18.340 ( 9.549 -16.759 -9.218) 21.378 ======================= Grid point 302 (108/481) ======================= q-point: ( 0.31 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 8.860 -15.913 8.795) 20.226 2.495 ( 18.044 -15.113 10.931) 25.952 3.085 ( -0.253 -6.558 -5.521) 8.576 3.183 ( 7.339 -20.101 1.370) 21.442 3.407 ( 2.312 -3.537 -6.256) 7.549 3.546 ( -2.498 -19.426 -6.483) 20.631 3.770 ( -2.054 -17.979 -0.380) 18.100 4.085 ( -3.009 -13.457 3.854) 14.318 4.173 ( 2.139 -20.584 5.073) 21.308 4.774 ( 1.108 0.199 -2.120) 2.401 5.108 ( -3.221 -0.999 -1.326) 3.624 5.865 ( -0.143 1.843 0.097) 1.851 6.308 ( -7.991 2.462 -5.819) 10.187 7.195 ( 2.141 1.680 5.847) 6.450 8.056 ( -3.756 -9.321 -2.436) 10.340 8.688 ( 6.938 10.024 8.811) 15.041 9.142 ( 0.530 -2.362 -0.699) 2.520 9.650 ( 3.237 -19.504 -2.010) 19.873 11.186 ( 0.740 -0.405 3.703) 3.798 11.704 ( -0.953 -4.400 -0.021) 4.502 11.926 ( -8.217 -7.525 -3.690) 11.737 12.502 ( -5.099 7.221 0.130) 8.841 13.209 ( 10.289 -1.613 -0.695) 10.438 13.944 ( -0.844 -20.405 0.138) 20.423 14.517 ( 1.122 17.023 -0.199) 17.062 15.330 ( -5.532 -4.284 -7.738) 10.432 16.159 ( 2.794 16.021 7.515) 17.915 16.442 ( -3.984 9.188 5.385) 11.370 17.963 ( -2.802 -12.777 -3.036) 13.428 18.644 ( 9.052 -12.311 -8.476) 17.474 ======================= Grid point 303 (109/481) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 7.871 -14.928 4.641) 17.502 2.851 ( 13.344 -9.178 10.352) 19.222 3.172 ( -2.217 -4.684 -3.684) 6.358 3.472 ( 1.381 -9.048 -7.847) 12.056 3.576 ( 5.696 -15.532 2.597) 16.746 3.835 ( 1.358 -12.205 -7.053) 14.162 4.077 ( 1.070 -14.874 -1.730) 15.012 4.272 ( -8.390 -14.672 0.791) 16.920 4.664 ( 5.443 -21.281 6.061) 22.787 4.793 ( -2.708 -2.523 0.382) 3.721 5.150 ( -3.220 -5.920 -0.995) 6.812 5.846 ( -1.235 -0.666 -0.656) 1.549 6.213 ( -5.414 1.323 -5.573) 7.882 7.104 ( 5.474 11.391 6.021) 13.999 8.253 ( -2.847 -11.092 1.386) 11.535 8.641 ( 6.028 -0.532 1.273) 6.184 9.169 ( -1.341 -1.405 -2.553) 3.208 9.996 ( 3.395 -15.512 -1.761) 15.976 11.196 ( -0.559 0.630 3.274) 3.380 11.854 ( -0.718 -11.433 1.961) 11.622 12.036 ( -1.901 -6.137 -4.367) 7.768 12.400 ( -6.817 -2.787 0.166) 7.367 13.292 ( 9.752 -1.127 0.015) 9.817 14.161 ( -3.924 8.286 -0.173) 9.170 14.321 ( 4.976 -5.933 -0.645) 7.770 15.339 ( -8.485 -3.010 -4.928) 10.263 15.927 ( 1.596 11.147 3.074) 11.673 16.274 ( -3.962 7.971 5.885) 10.671 18.133 ( -0.432 -7.190 -1.008) 7.273 18.843 ( 7.701 -6.332 -5.469) 11.371 ======================= Grid point 304 (110/481) ======================= q-point: ( 0.44 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 4.951 -7.875 2.073) 9.530 3.079 ( 6.109 -6.309 8.912) 12.512 3.204 ( -0.861 -1.417 -2.512) 3.010 3.693 ( 2.630 -14.514 -6.102) 15.963 3.874 ( 6.443 -11.647 0.999) 13.348 3.981 ( 3.074 -5.450 -6.554) 9.061 4.327 ( 2.315 -11.489 -0.623) 11.737 4.535 ( -4.895 -16.311 0.392) 17.034 4.798 ( -7.092 -1.226 1.602) 7.373 5.063 ( 0.990 -16.444 4.990) 17.213 5.264 ( -3.548 -7.839 -1.649) 8.761 5.880 ( -0.214 -3.743 -0.516) 3.784 6.165 ( -3.196 -0.930 -4.872) 5.901 6.902 ( 5.109 14.842 4.600) 16.357 8.364 ( 3.949 -0.412 3.300) 5.163 8.823 ( -0.350 -15.396 -2.673) 15.630 9.171 ( -0.763 -1.065 -2.849) 3.135 10.245 ( 3.765 -9.147 -1.136) 9.957 11.182 ( -3.099 0.968 4.023) 5.170 12.016 ( 1.844 1.084 -2.149) 3.032 12.147 ( -1.351 -15.672 -0.300) 15.733 12.568 ( -3.806 -15.289 0.171) 15.757 13.366 ( 6.517 -1.630 0.428) 6.731 13.891 ( -4.160 13.813 -0.547) 14.437 14.482 ( 7.187 -4.095 -0.627) 8.295 15.304 ( -9.753 -0.142 -2.038) 9.964 15.797 ( 0.108 3.848 -0.913) 3.956 16.150 ( -2.730 4.967 5.693) 8.034 18.222 ( 0.315 -2.686 -0.276) 2.718 18.943 ( 6.381 -1.722 -3.037) 7.274 ======================= Grid point 305 (111/481) ======================= q-point: ( 0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 2.432 -2.576 1.512) 3.852 3.189 ( -1.473 -1.650 1.297) 2.564 3.247 ( 3.323 -2.824 3.779) 5.771 3.947 ( 0.270 -12.076 -4.776) 12.989 4.022 ( 8.585 -2.064 -9.038) 12.635 4.136 ( 4.189 -9.190 4.269) 10.964 4.535 ( 2.245 -9.403 0.918) 9.711 4.710 ( -5.654 -0.934 -0.862) 5.795 4.856 ( -5.480 -12.157 3.114) 13.694 5.311 ( -1.972 -8.490 3.446) 9.373 5.374 ( -3.415 -7.274 -3.204) 8.651 5.967 ( 0.931 -4.745 -0.026) 4.835 6.189 ( -0.523 -4.483 -3.308) 5.596 6.654 ( 2.974 15.096 2.994) 15.675 8.391 ( 6.210 0.935 1.364) 6.427 9.021 ( -8.800 -5.062 -1.525) 10.265 9.282 ( 5.651 -13.446 -1.997) 14.722 10.360 ( 3.298 -0.836 -0.680) 3.469 11.158 ( -4.402 0.538 4.948) 6.644 11.990 ( 3.267 0.990 -3.744) 5.066 12.473 ( -1.267 -18.465 0.439) 18.514 12.827 ( -0.564 -12.397 0.205) 12.411 13.423 ( 2.737 -0.600 0.846) 2.927 13.622 ( -3.667 11.569 -0.689) 12.156 14.565 ( 7.966 -1.092 -0.437) 8.053 15.227 ( -8.697 1.753 -0.959) 8.924 15.755 ( -1.155 0.448 -1.433) 1.894 16.097 ( -1.286 1.410 3.826) 4.276 18.242 ( 0.008 0.345 -0.055) 0.349 18.971 ( 4.907 1.170 -1.475) 5.256 ======================= Grid point 306 (112/481) ======================= q-point: ( 0.56 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 0.911 -0.372 1.712) 1.974 3.206 ( 0.035 -1.024 -0.837) 1.323 3.299 ( 0.063 0.177 4.472) 4.476 4.039 ( 3.100 -1.321 -4.843) 5.900 4.119 ( 4.098 -4.083 -5.940) 8.291 4.326 ( 4.231 -6.587 2.810) 8.318 4.646 ( -7.797 1.514 -0.309) 7.949 4.719 ( 1.980 -8.352 2.549) 8.954 5.026 ( -2.654 -5.223 4.140) 7.174 5.405 ( -1.999 -2.429 -4.526) 5.511 5.475 ( -2.214 -6.657 0.113) 7.017 6.047 ( 0.681 -2.985 0.390) 3.086 6.292 ( 2.565 -5.224 -1.790) 6.089 6.415 ( -0.027 10.892 2.253) 11.122 8.411 ( 5.923 1.334 0.400) 6.084 8.996 ( -8.657 -0.493 -0.643) 8.695 9.619 ( 4.397 -17.483 -1.105) 18.061 10.305 ( 1.898 7.817 -0.170) 8.045 11.148 ( -3.965 -0.170 5.144) 6.497 11.987 ( 3.562 0.502 -4.045) 5.413 12.796 ( -1.009 -15.876 0.164) 15.909 13.017 ( 0.702 -7.895 0.020) 7.926 13.347 ( -2.113 8.519 0.923) 8.826 13.480 ( 1.199 3.093 -0.290) 3.330 14.606 ( 3.718 1.543 -0.531) 4.060 15.166 ( -4.485 -1.137 -0.536) 4.658 15.751 ( -0.743 -0.939 -0.422) 1.270 16.090 ( -0.625 0.159 1.783) 1.896 18.220 ( -0.762 1.446 -0.028) 1.635 18.955 ( 3.195 2.315 -0.654) 3.999 ======================= Grid point 307 (113/481) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( -0.424 1.055 1.671) 2.021 3.206 ( 0.682 2.504 -0.661) 2.678 3.290 ( -1.342 0.281 3.299) 3.573 4.050 ( 0.352 0.615 -3.460) 3.532 4.135 ( 6.711 2.874 -4.958) 8.825 4.425 ( 1.948 -0.988 0.889) 2.358 4.569 ( -6.649 2.236 0.495) 7.032 4.895 ( 2.194 -7.444 3.744) 8.616 5.073 ( -2.841 -1.703 4.344) 5.463 5.328 ( -2.868 6.661 -5.073) 8.850 5.584 ( 0.666 -3.865 -1.555) 4.219 6.093 ( 1.445 -1.241 0.583) 1.992 6.211 ( -1.585 7.117 0.384) 7.302 6.441 ( 2.108 -5.457 0.274) 5.857 8.397 ( 4.060 3.614 0.269) 5.443 8.978 ( -7.565 -3.452 -0.426) 8.326 9.906 ( 5.446 -5.510 -1.712) 7.934 10.139 ( -1.468 5.197 0.855) 5.467 11.148 ( -3.081 -0.109 5.080) 5.942 11.977 ( 2.651 1.067 -3.995) 4.911 12.992 ( -0.208 -2.315 0.049) 2.325 13.083 ( 0.522 3.664 -0.452) 3.728 13.245 ( -1.876 -1.909 1.087) 2.889 13.469 ( 3.326 -2.685 0.095) 4.276 14.504 ( -3.513 8.763 -0.531) 9.456 15.246 ( 1.851 -7.595 -0.552) 7.837 15.778 ( 0.434 -2.030 -0.070) 2.077 16.082 ( -0.814 0.991 1.223) 1.772 18.190 ( -1.514 0.879 -0.028) 1.751 18.926 ( 1.518 1.899 -0.451) 2.472 ======================= Grid point 308 (114/481) ======================= q-point: (-0.31 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -1.501 2.889 1.750) 3.696 3.089 ( -1.206 9.434 1.378) 9.610 3.318 ( 0.116 -2.195 0.727) 2.316 3.940 ( -0.963 9.673 -2.850) 10.130 4.116 ( 7.783 1.764 -5.380) 9.625 4.396 ( -0.835 4.141 0.057) 4.224 4.491 ( -4.100 3.050 1.559) 5.342 4.997 ( 0.891 0.548 2.393) 2.611 5.060 ( -0.048 8.817 2.155) 9.076 5.193 ( -4.092 -2.622 -1.597) 5.116 5.586 ( 1.538 3.775 -0.582) 4.117 6.101 ( -2.057 2.660 -0.740) 3.444 6.113 ( 1.412 1.213 0.401) 1.904 6.538 ( 0.950 -3.761 0.231) 3.886 8.330 ( 1.632 4.973 0.325) 5.244 9.034 ( -5.090 -6.080 -0.862) 7.976 9.731 ( 3.995 17.852 -1.663) 18.368 10.239 ( -1.855 -7.795 0.244) 8.016 11.155 ( -2.269 -0.767 5.187) 5.713 11.957 ( 2.043 0.850 -3.863) 4.452 12.877 ( 1.313 14.987 -0.193) 15.045 12.944 ( -0.583 5.550 0.254) 5.587 13.330 ( -0.854 -3.199 0.781) 3.402 13.628 ( 4.095 -10.281 -0.060) 11.067 14.293 ( -6.294 8.665 -0.364) 10.716 15.414 ( 4.688 -7.513 -1.449) 8.973 15.827 ( 1.570 -2.539 -0.699) 3.066 16.051 ( -2.232 1.896 2.809) 4.058 18.174 ( -1.864 -0.239 0.007) 1.879 18.905 ( 0.356 0.626 -0.853) 1.117 ======================= Grid point 309 (115/481) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -2.530 7.093 2.994) 8.105 2.861 ( -1.528 14.365 2.239) 14.618 3.362 ( 0.617 -2.078 -0.637) 2.259 3.692 ( 0.261 14.833 -2.144) 14.989 4.096 ( 5.570 2.694 -7.360) 9.615 4.287 ( -2.749 5.579 -0.647) 6.253 4.408 ( -1.633 5.274 2.574) 6.091 4.755 ( -1.042 16.987 -2.166) 17.156 5.015 ( 1.938 3.657 4.175) 5.878 5.220 ( -3.416 0.610 0.171) 3.474 5.470 ( 0.637 9.072 1.479) 9.214 6.058 ( 2.110 3.962 -1.255) 4.661 6.102 ( -0.820 -2.893 0.002) 3.007 6.599 ( -1.499 -3.085 0.351) 3.447 8.252 ( 0.375 3.632 0.629) 3.705 9.100 ( -2.508 -1.802 -2.217) 3.802 9.408 ( 3.332 16.372 -1.648) 16.789 10.294 ( -2.512 0.775 -0.061) 2.629 11.184 ( -2.118 -1.488 5.236) 5.841 11.951 ( 2.530 -0.213 -3.835) 4.599 12.560 ( 0.506 17.651 -0.211) 17.660 12.850 ( 0.484 5.373 0.051) 5.395 13.288 ( -1.032 7.109 0.770) 7.225 13.857 ( 3.244 -11.409 -0.033) 11.861 14.171 ( -5.218 -0.117 -0.231) 5.224 15.534 ( 7.365 -1.653 -4.079) 8.580 15.881 ( 0.431 -2.875 -1.037) 3.087 16.025 ( -4.000 -0.349 6.403) 7.558 18.173 ( -1.627 -0.619 0.062) 1.742 18.900 ( 0.020 -0.348 -2.013) 2.043 ======================= Grid point 310 (116/481) ======================= q-point: (-0.19 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -4.457 17.150 7.046) 19.069 2.571 ( -0.255 16.520 2.155) 16.661 3.381 ( 2.704 4.748 -1.968) 5.807 3.421 ( -0.811 8.293 -1.677) 8.500 4.013 ( 2.578 6.430 -9.793) 11.996 4.158 ( -2.891 6.646 -1.820) 7.472 4.272 ( -1.050 9.807 3.585) 10.494 4.413 ( 2.370 18.868 -0.056) 19.016 4.893 ( 1.346 12.288 1.673) 12.474 5.115 ( -1.553 8.479 0.197) 8.622 5.313 ( -3.130 5.713 2.523) 6.986 5.950 ( 2.010 7.273 -1.758) 7.748 6.237 ( 3.526 -9.156 0.853) 9.848 6.650 ( -4.603 -4.248 1.430) 6.425 8.212 ( 0.118 1.100 1.536) 1.893 8.936 ( 0.848 16.223 -3.914) 16.710 9.256 ( 1.739 2.721 -1.266) 3.468 10.188 ( -2.727 8.658 -0.001) 9.077 11.206 ( -2.998 -0.343 5.353) 6.145 11.950 ( 3.667 2.628 -3.131) 5.492 12.286 ( -0.198 8.985 -1.442) 9.102 12.706 ( 0.522 11.009 -0.261) 11.025 13.141 ( -1.647 5.379 0.384) 5.639 14.077 ( 1.182 -10.443 0.096) 10.510 14.202 ( -2.083 -3.661 0.237) 4.219 15.523 ( 10.594 5.504 -8.085) 14.418 15.930 ( -6.503 -3.615 4.666) 8.782 16.085 ( -1.481 -5.419 5.689) 7.995 18.172 ( -0.958 0.229 0.087) 0.988 18.896 ( 0.401 -0.005 -4.337) 4.355 ======================= Grid point 311 (117/481) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -5.003 23.769 11.852) 27.027 2.229 ( 0.611 21.774 4.777) 22.301 3.179 ( 3.253 10.437 -4.192) 11.709 3.399 ( 0.441 1.052 -2.477) 2.727 3.754 ( -4.938 18.855 -7.434) 20.861 3.970 ( 1.380 12.340 0.209) 12.419 4.045 ( 4.371 20.290 7.582) 22.097 4.114 ( 1.007 10.266 -6.116) 11.992 4.629 ( -0.414 13.709 -0.788) 13.738 4.931 ( 0.819 9.551 -1.158) 9.656 5.244 ( -5.706 0.983 3.870) 6.965 5.827 ( 2.301 5.901 -1.636) 6.542 6.451 ( 7.868 -9.007 -0.165) 11.961 6.730 ( -7.313 -7.356 5.238) 11.620 8.216 ( 0.420 0.066 2.298) 2.337 8.602 ( 1.347 17.196 -3.232) 17.549 9.194 ( 1.952 5.438 -1.098) 5.881 9.946 ( -2.153 15.498 0.270) 15.649 11.199 ( -4.016 0.693 5.454) 6.809 11.845 ( 2.429 7.654 -0.883) 8.079 12.254 ( -0.187 -3.716 -5.550) 6.681 12.486 ( 1.056 10.245 1.292) 10.380 13.086 ( -1.166 0.437 -1.126) 1.679 14.216 ( -1.555 2.945 1.491) 3.649 14.264 ( 0.026 -9.420 -0.096) 9.420 15.446 ( 13.597 5.591 -12.202) 19.106 15.980 ( -10.622 -4.745 10.349) 15.571 16.227 ( -0.652 -7.914 4.989) 9.378 18.149 ( -0.448 1.891 0.026) 1.944 18.862 ( 0.968 2.335 -8.706) 9.065 ======================= Grid point 312 (118/481) ======================= q-point: (-0.06 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -4.729 22.942 18.263) 29.702 1.817 ( 4.246 25.114 9.662) 27.242 2.954 ( 3.125 19.772 -5.684) 20.809 3.230 ( -1.070 18.801 -5.456) 19.606 3.360 ( 4.989 15.023 3.872) 16.297 3.648 ( 1.991 17.477 4.548) 18.169 3.782 ( -2.419 12.586 -2.247) 13.012 3.888 ( 0.505 12.732 -7.221) 14.646 4.417 ( -2.154 7.926 -1.497) 8.349 4.806 ( 2.861 3.025 -2.986) 5.124 5.216 ( -6.483 -0.116 4.233) 7.744 5.763 ( 3.377 2.241 -0.105) 4.055 6.624 ( 3.746 -5.966 -3.468) 7.852 6.900 ( -2.668 -10.776 11.329) 15.861 8.122 ( 4.610 13.549 -5.236) 15.240 8.414 ( -1.158 0.129 7.673) 7.761 9.078 ( 2.542 7.452 0.347) 7.881 9.599 ( -1.090 20.087 0.697) 20.129 11.181 ( -4.846 0.057 5.361) 7.227 11.748 ( 0.815 3.205 -0.209) 3.313 12.204 ( -3.331 4.902 -3.509) 6.887 12.493 ( 4.234 -7.276 -1.086) 8.488 13.076 ( -0.437 0.011 -2.257) 2.298 14.055 ( -5.729 12.361 1.724) 13.733 14.444 ( 2.769 -9.537 -0.668) 9.954 15.393 ( 15.473 4.848 -15.795) 22.636 16.073 ( -10.389 -7.843 13.619) 18.839 16.393 ( -1.240 -8.210 6.748) 10.699 18.093 ( -1.214 3.648 -0.264) 3.854 18.736 ( 0.728 8.177 -16.449) 18.384 ======================= Grid point 316 (119/481) ======================= q-point: ( 0.19 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 21.345 0.000 11.720) 24.351 1.499 ( 11.002 0.000 20.469) 23.238 2.371 ( -1.521 -0.000 -7.153) 7.313 2.536 ( 33.081 0.000 13.814) 35.849 2.738 ( 1.126 0.000 3.434) 3.614 3.038 ( 4.008 0.000 -1.833) 4.408 3.149 ( -2.148 -0.000 -1.342) 2.533 3.516 ( -2.762 -0.000 -7.573) 8.061 4.046 ( -12.638 -0.000 -0.038) 12.638 4.863 ( -5.250 -0.000 0.249) 5.256 5.271 ( 1.953 0.000 -8.862) 9.075 6.005 ( 2.714 0.000 3.907) 4.757 6.491 ( -11.077 -0.000 -5.844) 12.524 6.732 ( -5.561 -0.000 -0.077) 5.561 8.100 ( -2.100 -0.000 -2.087) 2.960 8.775 ( 0.119 0.000 0.021) 0.120 9.107 ( 8.762 0.000 0.833) 8.802 9.400 ( -4.036 -0.000 7.357) 8.391 11.167 ( -2.954 -0.000 5.536) 6.274 11.780 ( 0.581 0.000 -0.369) 0.688 11.920 ( -16.684 -0.000 -2.799) 16.917 12.833 ( -0.926 -0.000 1.528) 1.787 12.932 ( -0.426 -0.000 0.168) 0.458 13.072 ( 0.948 0.000 -0.139) 0.958 15.107 ( -2.801 -0.000 -5.065) 5.788 16.053 ( 14.626 0.000 -21.105) 25.678 16.447 ( -0.223 -0.000 0.001) 0.223 16.734 ( -4.681 -0.000 20.090) 20.628 16.840 ( 20.986 0.000 -6.753) 22.046 17.946 ( 0.158 0.000 -0.023) 0.160 ======================= Grid point 317 (120/481) ======================= q-point: ( 0.25 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 9.617 -0.120 15.219) 18.003 1.746 ( 18.688 -21.380 9.947) 30.088 2.486 ( 7.705 -13.937 -4.776) 16.625 2.744 ( 7.517 -8.215 1.221) 11.202 2.914 ( 5.959 -8.233 -3.952) 10.905 3.157 ( 7.249 -8.008 6.545) 12.630 3.270 ( 5.008 -13.362 4.537) 14.974 3.482 ( -2.104 -1.684 -4.779) 5.487 3.970 ( -13.734 -0.352 0.699) 13.756 4.831 ( -1.713 1.074 -0.606) 2.111 5.202 ( 0.083 4.137 -8.065) 9.064 5.983 ( -1.113 3.415 2.511) 4.383 6.396 ( -8.622 1.785 -5.640) 10.457 6.827 ( -5.589 -12.153 0.340) 13.380 8.048 ( -2.373 2.980 -1.906) 4.259 8.891 ( 0.012 -11.112 0.330) 11.117 9.166 ( 7.991 -1.414 -2.300) 8.435 9.250 ( -0.201 14.369 12.273) 18.899 11.171 ( -0.949 0.079 6.012) 6.087 11.746 ( -0.003 2.841 -0.309) 2.857 11.802 ( -13.472 1.028 -5.904) 14.745 12.770 ( -4.379 5.198 2.051) 7.100 13.048 ( 4.517 -8.350 -0.132) 9.494 13.187 ( -0.797 -12.615 -0.377) 12.646 15.077 ( -3.872 0.973 -3.634) 5.398 15.516 ( 7.397 29.181 -7.683) 31.069 16.673 ( -10.655 5.285 16.891) 20.659 16.808 ( 13.238 7.975 -0.878) 15.480 17.099 ( 6.219 -31.472 -13.075) 34.643 18.082 ( 5.598 -12.916 -2.679) 14.329 ======================= Grid point 318 (121/481) ======================= q-point: ( 0.31 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 10.857 -8.292 9.254) 16.501 2.295 ( 16.832 -21.057 8.831) 28.368 2.860 ( 7.041 -18.428 -2.801) 19.925 2.965 ( 3.656 -10.111 -5.850) 12.240 3.117 ( 5.404 -15.822 2.828) 16.957 3.347 ( -2.958 -6.157 -7.579) 10.203 3.450 ( -3.297 -11.387 0.069) 11.855 3.800 ( 14.688 -21.265 11.050) 28.108 3.927 ( -13.654 -4.063 1.467) 14.321 4.799 ( 1.360 1.710 -2.195) 3.096 5.099 ( -2.354 2.877 -5.518) 6.653 5.905 ( -4.426 3.188 0.624) 5.490 6.296 ( -5.367 2.523 -4.779) 7.616 7.064 ( -3.859 -14.088 1.935) 14.734 7.972 ( -2.627 1.912 -2.016) 3.824 9.004 ( 5.348 13.551 9.126) 17.190 9.097 ( 0.834 -4.038 1.988) 4.577 9.317 ( 4.129 -14.234 -2.725) 15.070 11.198 ( 1.000 -0.687 5.971) 6.093 11.687 ( 2.469 2.582 -4.751) 5.944 11.736 ( -13.350 -4.573 -1.966) 14.248 12.618 ( -6.889 7.817 1.629) 10.546 13.211 ( 9.078 -4.795 -0.496) 10.279 13.526 ( -0.783 -22.204 0.235) 22.219 14.878 ( 1.169 18.810 -0.425) 18.851 15.221 ( -3.734 1.378 -7.856) 8.807 16.512 ( -3.294 13.070 13.440) 19.034 16.628 ( 5.219 13.379 -1.525) 14.441 17.593 ( -2.915 -23.238 -6.150) 24.214 18.406 ( 10.162 -16.057 -5.800) 19.868 ======================= Grid point 319 (122/481) ======================= q-point: ( 0.38 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 11.451 -14.068 5.269) 18.889 2.758 ( 15.265 -14.740 8.358) 22.807 3.043 ( -1.115 -6.309 -4.295) 7.713 3.262 ( 3.912 -13.139 -0.558) 13.721 3.386 ( 2.095 -7.247 -4.539) 8.804 3.513 ( 2.031 -19.851 -2.884) 20.162 3.753 ( 0.101 -18.919 -0.608) 18.929 3.981 ( -11.386 -10.020 2.287) 15.339 4.316 ( 8.621 -21.671 7.324) 24.445 4.772 ( 0.992 0.991 -2.702) 3.044 5.052 ( -4.083 -1.561 -2.920) 5.257 5.833 ( -5.392 1.050 -0.524) 5.519 6.210 ( -2.508 2.639 -3.752) 5.228 7.245 ( 1.120 -2.803 3.899) 4.931 7.992 ( -4.683 -8.704 -1.880) 10.061 8.828 ( 7.670 11.218 7.125) 15.344 9.133 ( -0.113 -0.697 -2.835) 2.922 9.671 ( 2.583 -19.677 -1.696) 19.918 11.230 ( 2.325 0.731 4.219) 4.872 11.700 ( 0.588 -4.713 -0.621) 4.790 11.807 ( -8.165 -10.797 -2.974) 13.859 12.429 ( -7.744 7.400 0.838) 10.744 13.331 ( 10.728 -1.937 -0.062) 10.902 13.941 ( 0.049 -20.601 0.060) 20.601 14.527 ( 1.154 17.713 -0.717) 17.765 15.202 ( -8.165 -3.791 -6.152) 10.904 16.241 ( 3.233 18.002 5.935) 19.229 16.423 ( -4.270 9.020 3.329) 10.520 17.918 ( -1.782 -14.883 -2.439) 15.186 18.708 ( 9.338 -11.474 -5.143) 15.662 ======================= Grid point 320 (123/481) ======================= q-point: ( 0.44 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 8.654 -12.060 2.650) 15.079 3.038 ( 6.591 -5.706 7.282) 11.359 3.144 ( 1.247 -4.632 -1.213) 4.948 3.432 ( 1.569 -12.152 -7.524) 14.378 3.672 ( 6.834 -14.144 4.095) 16.233 3.814 ( 2.263 -12.640 -4.864) 13.731 4.082 ( 1.252 -15.581 -2.335) 15.804 4.189 ( -6.403 -16.077 1.645) 17.383 4.734 ( -4.625 -9.983 0.770) 11.029 4.769 ( 3.518 -9.274 2.868) 10.325 5.095 ( -4.720 -6.367 -1.318) 8.034 5.816 ( -3.146 -2.348 -0.765) 4.000 6.146 ( -1.049 1.844 -2.872) 3.571 7.188 ( 3.513 10.337 3.566) 11.485 8.221 ( -3.560 -15.905 0.727) 16.315 8.736 ( 7.935 4.404 2.030) 9.299 9.127 ( -1.932 -0.994 -4.250) 4.773 10.024 ( 3.008 -16.063 -0.753) 16.359 11.217 ( 0.363 2.576 3.242) 4.157 11.862 ( -0.331 -11.749 2.135) 11.946 11.990 ( -1.270 -9.230 -3.598) 9.987 12.316 ( -7.745 -3.384 0.445) 8.463 13.406 ( 9.482 0.226 0.216) 9.487 14.111 ( -4.419 9.111 -0.169) 10.128 14.378 ( 6.038 -7.289 -1.291) 9.552 15.204 ( -9.447 -3.312 -3.926) 10.753 15.965 ( 2.190 13.481 1.494) 13.739 16.261 ( -4.487 6.922 4.993) 9.642 18.121 ( -0.479 -8.265 -0.888) 8.326 18.904 ( 7.642 -5.847 -3.300) 10.172 ======================= Grid point 321 (124/481) ======================= q-point: ( 0.50 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 4.254 -5.743 1.366) 7.276 3.149 ( -0.954 -2.611 2.718) 3.888 3.220 ( 3.750 -3.336 2.125) 5.450 3.693 ( 3.615 -14.158 -4.298) 15.231 3.953 ( 6.369 -9.802 -2.900) 12.044 4.001 ( 6.019 -7.803 0.219) 9.857 4.347 ( 2.521 -12.108 -1.483) 12.456 4.484 ( -4.486 -18.188 0.556) 18.742 4.706 ( -9.500 -0.230 -0.485) 9.515 5.101 ( 0.140 -14.811 4.722) 15.546 5.199 ( -5.461 -7.415 -1.385) 9.312 5.880 ( 0.558 -5.214 -0.492) 5.267 6.120 ( -0.576 -0.856 -2.077) 2.319 6.969 ( 2.609 15.114 2.257) 15.503 8.430 ( 3.304 -4.091 3.158) 6.134 8.807 ( 0.286 -8.718 -2.127) 8.978 9.145 ( 0.008 -4.244 -3.269) 5.357 10.282 ( 3.382 -9.258 -0.136) 9.857 11.174 ( -2.807 2.197 4.138) 5.461 12.019 ( 1.615 1.360 -3.087) 3.740 12.136 ( -0.954 -16.497 1.116) 16.562 12.528 ( -3.329 -17.806 0.193) 18.116 13.441 ( 5.996 0.565 0.246) 6.027 13.840 ( -3.979 13.829 -0.476) 14.398 14.559 ( 7.103 -5.302 -1.035) 8.924 15.180 ( -9.334 -0.848 -1.728) 9.530 15.794 ( 0.451 5.659 -1.153) 5.792 16.151 ( -3.081 4.086 4.691) 6.942 18.221 ( -0.166 -2.974 -0.309) 2.994 19.000 ( 6.011 -1.251 -1.748) 6.384 ======================= Grid point 322 (125/481) ======================= q-point: ( 0.56 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 1.766 -1.755 1.528) 2.921 3.177 ( -0.890 -1.439 -0.426) 1.745 3.303 ( 1.353 -1.854 4.140) 4.734 3.925 ( 0.628 -9.738 -3.425) 10.342 4.074 ( 10.122 -3.021 -7.131) 12.745 4.221 ( 4.925 -8.906 3.886) 10.894 4.555 ( 0.660 -9.122 -0.081) 9.146 4.623 ( -7.974 -0.334 -1.035) 8.048 4.826 ( -3.266 -15.680 3.212) 16.335 5.282 ( -4.755 -5.732 -2.565) 7.877 5.331 ( -1.659 -8.807 2.298) 9.252 5.985 ( 1.745 -4.457 0.019) 4.786 6.176 ( 0.781 -5.919 -1.088) 6.069 6.691 ( 0.946 15.861 1.278) 15.940 8.481 ( 7.431 1.297 1.561) 7.703 8.907 ( -8.898 -3.768 -1.613) 9.797 9.332 ( 4.679 -14.600 -1.143) 15.374 10.392 ( 2.691 -0.278 -0.107) 2.707 11.142 ( -4.121 0.548 4.963) 6.474 12.003 ( 3.157 0.419 -3.866) 5.008 12.465 ( -0.858 -18.193 0.899) 18.236 12.821 ( -0.514 -13.530 -0.103) 13.540 13.460 ( 2.755 1.142 0.663) 3.055 13.578 ( -3.301 10.710 -0.582) 11.223 14.648 ( 6.933 -0.470 -0.632) 6.977 15.125 ( -7.702 0.351 -0.800) 7.751 15.736 ( -0.545 0.580 -1.375) 1.589 16.103 ( -1.664 1.216 3.083) 3.709 18.238 ( -0.456 0.491 -0.152) 0.688 19.018 ( 4.320 1.827 -0.762) 4.752 ======================= Grid point 323 (126/481) ======================= q-point: ( 0.62 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 0.281 0.272 1.558) 1.607 3.200 ( -0.095 -1.561 -1.112) 1.919 3.323 ( -0.681 1.242 3.747) 4.006 4.026 ( 0.389 -2.704 -3.627) 4.541 4.166 ( 9.604 -2.060 -5.033) 11.037 4.386 ( 2.801 -4.944 1.786) 5.956 4.554 ( -7.864 0.536 0.562) 7.902 4.748 ( 0.742 -9.324 1.858) 9.536 5.021 ( -3.358 -4.976 4.283) 7.374 5.350 ( -1.009 -2.843 -5.480) 6.255 5.455 ( -1.509 -7.008 0.572) 7.192 6.060 ( 0.830 -2.888 0.725) 3.091 6.311 ( 2.287 -5.606 -1.307) 6.194 6.423 ( -0.699 11.447 1.710) 11.596 8.493 ( 7.329 2.741 0.713) 7.857 8.884 ( -9.420 -1.418 -0.595) 9.545 9.663 ( 3.778 -17.010 -0.244) 17.426 10.322 ( 1.243 8.602 -0.334) 8.698 11.138 ( -3.625 -0.579 5.219) 6.380 12.000 ( 3.320 0.800 -4.054) 5.301 12.789 ( -0.576 -15.871 0.442) 15.888 13.022 ( 0.385 -8.230 -0.410) 8.249 13.332 ( -1.556 9.184 1.047) 9.374 13.492 ( 1.125 1.503 -0.366) 1.912 14.635 ( 1.888 5.471 -0.532) 5.812 15.121 ( -2.639 -4.724 -0.402) 5.425 15.742 ( -0.353 -1.579 -0.578) 1.718 16.093 ( -0.848 0.268 1.504) 1.747 18.209 ( -0.876 1.764 -0.127) 1.974 18.987 ( 2.591 3.133 -0.305) 4.077 ======================= Grid point 324 (127/481) ======================= q-point: (-0.31 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -0.797 1.584 1.321) 2.211 3.205 ( 0.148 2.188 -1.041) 2.427 3.296 ( -1.422 0.770 3.089) 3.487 4.024 ( -0.001 1.826 -3.840) 4.252 4.204 ( 9.568 2.316 -3.942) 10.604 4.436 ( -0.997 0.697 -0.391) 1.277 4.508 ( -4.609 0.896 2.500) 5.319 4.935 ( 0.997 -8.595 2.769) 9.085 5.056 ( -4.955 -1.854 3.244) 6.205 5.281 ( 0.474 7.584 -3.531) 8.380 5.580 ( 0.632 -4.811 -1.712) 5.145 6.110 ( 0.695 -1.629 0.543) 1.852 6.199 ( -0.867 8.186 0.764) 8.267 6.460 ( 1.068 -5.255 -0.381) 5.376 8.450 ( 4.051 5.681 0.695) 7.012 8.892 ( -6.089 -4.922 -0.555) 7.850 9.958 ( 5.024 -7.504 -1.231) 9.114 10.119 ( -2.456 8.242 0.062) 8.600 11.148 ( -2.851 -0.529 5.414) 6.141 11.981 ( 2.521 1.533 -3.991) 4.964 12.990 ( -0.137 -2.635 0.079) 2.639 13.086 ( 0.513 3.660 -0.425) 3.720 13.236 ( -1.187 -1.998 1.446) 2.737 13.500 ( 1.978 -3.838 -0.392) 4.336 14.465 ( -2.313 11.216 -0.347) 11.457 15.262 ( 1.354 -9.525 -0.508) 9.635 15.781 ( 0.235 -2.666 -0.289) 2.692 16.081 ( -0.850 1.193 1.167) 1.873 18.173 ( -1.058 1.176 -0.104) 1.585 18.939 ( 1.167 2.701 -0.331) 2.961 ======================= Grid point 325 (128/481) ======================= q-point: (-0.25 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -1.293 3.119 1.427) 3.665 3.089 ( -0.560 9.504 1.934) 9.715 3.316 ( -0.826 -2.248 -0.031) 2.396 3.921 ( 0.963 8.499 -3.035) 9.076 4.173 ( 7.465 4.336 -5.107) 10.030 4.365 ( -2.991 4.482 -0.595) 5.421 4.471 ( -2.110 2.408 2.414) 4.010 4.992 ( -1.280 5.935 -1.098) 6.170 5.090 ( -1.196 3.150 5.012) 6.040 5.149 ( -0.191 -2.545 -1.522) 2.972 5.601 ( 1.162 2.947 0.037) 3.168 6.080 ( -0.532 2.801 0.326) 2.870 6.135 ( 1.129 1.202 0.471) 1.715 6.535 ( -0.776 -3.040 -1.530) 3.491 8.350 ( 1.028 6.068 0.686) 6.192 8.983 ( -2.092 -6.835 -1.200) 7.248 9.752 ( 1.786 18.243 -2.216) 18.464 10.221 ( -1.094 -7.440 -0.169) 7.522 11.165 ( -2.344 -1.033 5.622) 6.178 11.956 ( 2.098 0.869 -3.848) 4.468 12.888 ( 0.636 15.592 -0.248) 15.607 12.941 ( -0.229 4.724 0.453) 4.751 13.328 ( -0.417 -3.372 1.056) 3.558 13.660 ( 1.461 -10.751 -0.553) 10.864 14.239 ( -2.281 9.696 -0.123) 9.962 15.447 ( 2.469 -8.609 -1.351) 9.058 15.835 ( 0.759 -2.781 -0.884) 3.015 16.045 ( -2.067 2.186 2.869) 4.157 18.158 ( -0.784 -0.080 -0.060) 0.790 18.904 ( 0.471 1.277 -0.927) 1.646 ======================= Grid point 326 (129/481) ======================= q-point: (-0.19 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -1.790 7.118 2.608) 7.789 2.871 ( 0.019 14.265 3.443) 14.674 3.353 ( -0.858 -2.310 -1.540) 2.906 3.704 ( 3.230 14.626 -0.801) 15.000 4.100 ( 3.910 4.716 -8.675) 10.620 4.248 ( -2.467 5.798 -1.127) 6.401 4.399 ( -1.994 5.027 1.602) 5.641 4.762 ( 3.137 15.476 0.040) 15.791 5.051 ( -1.259 3.482 4.889) 6.133 5.173 ( -2.773 1.237 -2.258) 3.784 5.482 ( -0.533 9.769 1.602) 9.914 6.073 ( 1.298 4.303 -0.933) 4.590 6.123 ( 3.108 -4.688 2.807) 6.287 6.564 ( -3.351 -2.388 -2.307) 4.718 8.261 ( 0.070 3.734 0.960) 3.856 9.071 ( 0.560 -1.741 -2.776) 3.325 9.416 ( 0.254 15.726 -2.051) 15.861 10.271 ( -0.952 1.313 -0.676) 1.757 11.194 ( -2.425 -1.228 5.515) 6.148 11.955 ( 2.422 -0.810 -3.602) 4.415 12.560 ( -0.193 18.027 -0.444) 18.034 12.852 ( -0.045 5.375 -0.008) 5.376 13.287 ( -0.118 7.644 0.987) 7.708 13.874 ( -0.635 -11.407 -0.385) 11.431 14.141 ( 0.642 -0.385 0.060) 0.751 15.577 ( 4.281 -3.333 -3.905) 6.684 15.872 ( -0.999 -1.049 -0.518) 1.539 16.023 ( -3.543 -1.207 6.018) 7.088 18.163 ( -0.129 -0.584 -0.018) 0.598 18.889 ( 0.660 0.245 -2.349) 2.453 ======================= Grid point 327 (130/481) ======================= q-point: (-0.12 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -2.504 16.338 6.427) 17.734 2.599 ( 1.665 16.321 4.012) 16.889 3.378 ( -0.799 -1.245 -2.421) 2.837 3.442 ( 5.207 14.727 -0.293) 15.623 3.957 ( 0.204 9.495 -10.871) 14.435 4.121 ( -1.727 5.988 -2.175) 6.601 4.265 ( -0.339 8.571 0.166) 8.579 4.489 ( 6.375 17.402 3.856) 18.930 4.905 ( -1.066 13.729 1.732) 13.879 5.069 ( -5.142 5.842 -1.559) 7.937 5.303 ( -1.307 7.476 2.303) 7.931 5.956 ( 0.732 6.966 -1.497) 7.163 6.324 ( 8.064 -9.990 4.228) 13.517 6.586 ( -6.344 -4.202 -1.227) 7.708 8.225 ( -0.096 0.712 2.011) 2.135 8.918 ( 1.068 15.932 -4.584) 16.613 9.259 ( 0.208 2.202 -1.144) 2.490 10.167 ( -0.512 8.882 -0.722) 8.926 11.207 ( -3.006 0.192 5.239) 6.044 11.970 ( 2.864 1.716 -2.375) 4.097 12.267 ( -1.018 9.965 -2.035) 10.221 12.703 ( -0.681 10.662 -0.395) 10.691 13.138 ( 0.790 6.238 0.253) 6.293 14.070 ( -2.201 -10.664 -0.130) 10.889 14.209 ( 2.645 -3.337 0.438) 4.281 15.579 ( 8.204 4.150 -8.274) 12.369 15.880 ( -8.050 -2.470 5.872) 10.265 16.101 ( -2.049 -6.252 5.469) 8.556 18.169 ( 0.440 0.321 -0.025) 0.545 18.876 ( 1.483 0.930 -5.041) 5.336 ======================= Grid point 328 (131/481) ======================= q-point: (-0.06 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -1.581 22.440 11.112) 25.091 2.297 ( 4.478 19.882 7.047) 21.564 3.217 ( 7.155 11.898 -3.613) 14.346 3.378 ( -0.662 1.448 -2.789) 3.212 3.660 ( -2.978 16.973 -7.076) 18.628 3.967 ( -0.764 9.542 -2.370) 9.861 4.093 ( 2.336 10.202 -4.095) 11.238 4.171 ( 7.172 23.956 7.506) 26.109 4.601 ( -3.083 14.625 -1.438) 15.015 4.905 ( -3.289 7.403 -1.641) 8.265 5.213 ( -3.450 2.390 3.099) 5.217 5.844 ( 2.034 4.730 -1.160) 5.278 6.525 ( 2.752 -5.123 -3.198) 6.637 6.708 ( -0.817 -11.987 8.620) 14.787 8.235 ( -0.163 0.006 2.993) 2.998 8.592 ( 0.766 15.827 -3.335) 16.193 9.204 ( 0.904 4.495 -0.727) 4.642 9.935 ( 0.365 15.401 -0.497) 15.413 11.190 ( -3.367 1.196 4.841) 6.017 11.859 ( 0.375 8.224 0.144) 8.234 12.206 ( -1.334 -1.341 -5.849) 6.147 12.505 ( 0.621 7.148 0.958) 7.239 13.079 ( 1.670 1.418 -1.502) 2.656 14.216 ( 0.077 5.083 1.027) 5.186 14.258 ( -0.944 -10.547 -0.057) 10.589 15.510 ( 10.837 4.706 -12.059) 16.882 15.923 ( -10.930 -5.563 10.864) 16.384 16.249 ( -1.600 -8.339 5.767) 10.265 18.146 ( 0.088 2.426 -0.210) 2.437 18.819 ( 2.462 4.357 -9.603) 10.829 ======================= Grid point 333 (132/481) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 21.088 0.000 9.817) 23.261 1.732 ( 10.057 0.000 13.177) 16.576 2.290 ( -3.017 -0.000 -8.038) 8.586 2.795 ( 3.121 0.000 4.817) 5.740 2.838 ( 17.152 0.000 -7.346) 18.658 3.099 ( -4.150 -0.000 -2.679) 4.939 3.250 ( 18.531 0.000 12.701) 22.466 3.440 ( -0.476 -0.000 0.117) 0.490 3.892 ( -13.783 -0.000 0.994) 13.819 4.831 ( -0.612 -0.000 -0.190) 0.641 5.213 ( -0.857 -0.000 -10.330) 10.365 6.001 ( -8.119 -0.000 1.666) 8.288 6.367 ( -2.584 -0.000 -4.672) 5.340 6.662 ( -6.220 -0.000 -0.070) 6.221 8.056 ( -3.222 -0.000 -1.212) 3.442 8.777 ( 0.110 0.000 -0.037) 0.116 9.194 ( 7.275 0.000 -3.195) 7.945 9.413 ( -2.978 -0.000 9.046) 9.524 11.190 ( -1.262 -0.000 8.061) 8.160 11.672 ( -18.631 -0.000 -1.026) 18.660 11.824 ( 7.075 0.000 -8.262) 10.877 12.826 ( -3.405 -0.000 3.318) 4.754 12.928 ( -0.430 -0.000 0.221) 0.484 13.083 ( 0.998 0.000 -0.165) 1.012 15.038 ( -3.085 -0.000 -4.884) 5.777 16.009 ( -1.167 -0.000 -10.129) 10.196 16.444 ( -0.232 -0.000 0.009) 0.233 16.759 ( -5.004 -0.000 10.353) 11.499 17.133 ( 29.541 0.000 -4.180) 29.835 17.948 ( 0.159 0.000 -0.033) 0.162 ======================= Grid point 334 (133/481) ======================= q-point: ( 0.31 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 10.916 0.238 7.938) 13.499 2.022 ( 17.787 -18.822 9.065) 27.437 2.454 ( -1.674 -19.137 -8.399) 20.966 2.866 ( 9.823 -4.496 1.572) 10.917 2.979 ( 7.571 -7.354 0.059) 10.555 3.147 ( -4.157 -8.017 -2.651) 9.411 3.318 ( -5.105 -1.892 -5.693) 7.877 3.635 ( 20.047 -10.497 14.783) 27.029 3.823 ( -11.276 -0.550 2.690) 11.606 4.825 ( 1.211 0.765 -0.908) 1.696 5.130 ( -2.067 3.615 -9.731) 10.585 5.915 ( -11.773 2.329 -0.122) 12.002 6.318 ( 0.205 2.807 -2.774) 3.952 6.763 ( -5.618 -12.937 0.249) 14.106 8.006 ( -2.780 2.757 -1.263) 4.114 8.893 ( 0.132 -11.348 0.185) 11.351 9.215 ( 5.481 0.339 -6.786) 8.730 9.329 ( 0.410 9.417 11.191) 14.632 11.213 ( -0.729 -0.323 9.282) 9.316 11.575 ( -16.561 -1.882 -3.877) 17.113 11.786 ( 7.890 5.101 -6.959) 11.692 12.719 ( -7.390 6.719 3.484) 10.578 13.098 ( 3.686 -12.563 0.091) 13.092 13.186 ( 0.565 -10.922 -0.017) 10.937 15.006 ( -3.300 0.340 -4.648) 5.710 15.524 ( 1.818 28.801 -4.829) 29.259 16.617 ( -11.127 0.734 7.929) 13.683 16.934 ( 7.078 -6.301 0.974) 9.526 17.156 ( 12.252 -3.401 -4.966) 13.651 18.138 ( 6.781 -15.964 -2.042) 17.465 ======================= Grid point 335 (134/481) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 13.714 -8.090 4.613) 16.577 2.522 ( 12.242 -20.298 7.959) 25.004 2.804 ( -1.201 -18.735 -9.456) 21.020 3.070 ( 8.663 -9.986 0.036) 13.220 3.205 ( -0.080 -11.670 2.604) 11.957 3.259 ( 0.621 -6.892 -3.595) 7.798 3.413 ( -1.558 -15.208 -0.565) 15.298 3.790 ( -11.884 -4.681 2.525) 13.020 4.053 ( 15.681 -15.145 10.311) 24.116 4.805 ( 2.392 1.938 -2.751) 4.129 5.022 ( -3.804 2.340 -6.886) 8.207 5.805 ( -11.620 1.361 -0.949) 11.738 6.258 ( 1.757 3.418 -1.275) 4.049 7.030 ( -3.795 -16.863 1.248) 17.330 7.929 ( -2.681 2.642 -1.480) 4.044 9.082 ( 1.935 -0.362 0.744) 2.104 9.134 ( 3.296 6.796 1.203) 7.648 9.343 ( 2.425 -12.201 0.064) 12.439 11.260 ( 1.203 -1.055 8.522) 8.671 11.550 ( -11.988 -6.825 -5.163) 14.729 11.717 ( 5.502 3.485 -3.807) 7.543 12.538 ( -9.327 8.293 3.000) 12.837 13.308 ( 7.652 -6.888 -0.151) 10.296 13.528 ( 0.565 -22.372 0.294) 22.382 14.878 ( 0.081 15.085 -1.759) 15.188 15.126 ( -4.195 7.051 -6.219) 10.295 16.502 ( -8.384 6.810 7.960) 13.417 16.718 ( 8.970 21.530 0.080) 23.324 17.540 ( -1.239 -22.950 -3.117) 23.194 18.492 ( 9.479 -15.822 -3.135) 18.709 ======================= Grid point 336 (135/481) ======================= q-point: ( 0.44 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 13.022 -11.945 2.668) 17.871 2.926 ( 4.416 -13.376 4.003) 14.644 3.030 ( 3.589 -8.825 0.463) 9.539 3.218 ( -3.150 -7.661 -8.521) 11.883 3.436 ( 3.380 -15.824 -0.718) 16.197 3.548 ( 5.947 -15.691 3.665) 17.176 3.760 ( 0.611 -17.945 -0.522) 17.963 3.892 ( -5.984 -12.287 3.229) 14.043 4.436 ( 4.294 -16.266 4.436) 17.398 4.762 ( 1.764 2.190 -4.515) 5.319 4.979 ( -4.982 -2.404 -2.102) 5.917 5.742 ( -8.429 -1.592 -0.894) 8.624 6.200 ( 2.311 3.778 -0.186) 4.432 7.275 ( 0.634 -6.284 2.279) 6.715 7.928 ( -4.205 -7.971 -1.404) 9.121 8.952 ( 6.782 10.502 4.180) 13.182 9.099 ( -0.801 0.824 -6.223) 6.329 9.692 ( 1.893 -20.034 0.531) 20.131 11.291 ( 2.833 2.079 4.487) 5.699 11.686 ( -4.532 -13.842 -2.398) 14.761 11.728 ( -0.072 -4.701 -0.489) 4.727 12.340 ( -8.926 7.281 1.645) 11.636 13.449 ( 9.174 -2.625 0.240) 9.545 13.943 ( 0.128 -19.604 -0.010) 19.605 14.537 ( 2.026 17.279 -1.416) 17.455 15.067 ( -8.189 -3.229 -5.693) 10.483 16.305 ( 0.617 16.935 5.822) 17.918 16.394 ( -2.434 11.175 0.628) 11.454 17.890 ( -0.802 -15.767 -1.367) 15.847 18.785 ( 8.146 -10.766 -2.476) 13.726 ======================= Grid point 337 (136/481) ======================= q-point: ( 0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 7.570 -8.741 1.479) 11.657 3.093 ( -0.104 -4.507 3.311) 5.594 3.168 ( 1.062 -4.562 -0.910) 4.771 3.431 ( 4.503 -15.020 -3.000) 15.965 3.738 ( 1.535 -14.766 -1.928) 14.970 3.877 ( 10.446 -11.465 4.262) 16.085 4.055 ( -4.302 -18.458 0.309) 18.955 4.163 ( 1.141 -13.773 -1.537) 13.905 4.632 ( -9.532 -2.659 -3.059) 10.358 4.833 ( 3.092 -12.839 -0.949) 13.240 5.039 ( -4.408 -6.386 3.292) 8.429 5.770 ( -3.325 -5.289 -0.698) 6.286 6.146 ( 1.784 3.164 0.469) 3.662 7.234 ( 1.766 10.115 1.178) 10.335 8.186 ( -2.999 -18.831 0.579) 19.077 8.838 ( 7.245 6.657 1.339) 9.929 9.068 ( -2.075 -1.507 -6.233) 6.740 10.057 ( 2.516 -16.510 1.228) 16.746 11.246 ( 0.740 4.658 3.449) 5.842 11.871 ( -0.383 -11.312 1.366) 11.401 11.963 ( -0.092 -12.103 -2.004) 12.268 12.231 ( -7.338 -4.443 0.573) 8.598 13.509 ( 7.860 1.424 0.191) 7.990 14.060 ( -4.225 9.437 -0.082) 10.340 14.441 ( 6.546 -7.921 -1.843) 10.440 15.073 ( -8.590 -3.806 -3.788) 10.130 15.997 ( 2.045 15.338 0.694) 15.489 16.237 ( -4.602 5.821 3.901) 8.384 18.112 ( -0.243 -8.700 -0.518) 8.718 18.971 ( 6.315 -5.332 -1.410) 8.384 ======================= Grid point 338 (137/481) ======================= q-point: ( 0.56 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 2.806 -4.111 1.514) 5.203 3.140 ( -1.317 -1.692 -0.569) 2.218 3.269 ( 1.492 -4.070 3.228) 5.405 3.714 ( 3.214 -12.755 -2.140) 13.327 3.991 ( 5.067 -10.798 -3.604) 12.460 4.110 ( 9.159 -6.983 2.536) 11.793 4.372 ( 3.222 -10.945 -1.621) 11.524 4.436 ( -3.706 -20.357 0.320) 20.694 4.577 ( -11.155 -1.080 -1.088) 11.260 5.078 ( -4.470 -11.992 -6.427) 14.321 5.178 ( -1.191 -8.156 9.213) 12.362 5.884 ( 0.731 -7.151 -0.709) 7.224 6.121 ( 1.057 -0.004 1.081) 1.512 6.995 ( 0.577 15.312 -0.052) 15.323 8.475 ( 1.090 -9.699 2.151) 9.995 8.801 ( 0.764 0.049 -1.761) 1.920 9.130 ( 1.234 -8.310 -3.183) 8.984 10.321 ( 2.683 -9.096 1.271) 9.568 11.172 ( -2.505 3.553 4.486) 6.247 12.011 ( 1.126 0.138 -3.923) 4.083 12.139 ( -0.482 -15.846 2.246) 16.011 12.495 ( -2.332 -19.819 0.012) 19.956 13.504 ( 4.548 2.311 -0.111) 5.102 13.795 ( -3.131 13.690 -0.224) 14.046 14.631 ( 6.581 -6.076 -1.266) 9.046 15.068 ( -7.858 -1.545 -1.849) 8.219 15.794 ( 0.856 7.025 -1.106) 7.163 16.141 ( -3.239 3.262 3.604) 5.841 18.216 ( -0.190 -2.979 -0.242) 2.995 19.054 ( 4.537 -0.773 -0.575) 4.638 ======================= Grid point 339 (138/481) ======================= q-point: ( 0.62 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 0.599 -1.082 1.617) 2.036 3.162 ( -0.871 -1.746 -1.192) 2.286 3.333 ( -0.351 -1.139 3.350) 3.556 3.916 ( 1.344 -8.122 -2.578) 8.627 4.162 ( 11.132 -4.106 -4.241) 12.600 4.286 ( 2.778 -7.230 1.445) 7.879 4.503 ( -9.264 -0.723 -0.380) 9.300 4.576 ( 1.199 -10.183 0.080) 10.253 4.818 ( -2.048 -16.478 3.466) 16.963 5.196 ( -4.286 -7.682 -6.034) 10.667 5.348 ( -0.135 -6.383 5.109) 8.177 6.002 ( 1.085 -4.425 -0.283) 4.565 6.190 ( 1.488 -6.187 1.185) 6.472 6.696 ( -0.494 15.946 -0.349) 15.957 8.576 ( 6.604 0.244 1.493) 6.775 8.799 ( -7.343 -1.749 -1.635) 7.723 9.373 ( 3.127 -15.509 -0.314) 15.824 10.420 ( 1.871 0.528 0.571) 2.026 11.130 ( -3.634 0.620 5.053) 6.255 12.011 ( 2.672 -0.231 -4.021) 4.833 12.465 ( -0.520 -17.915 1.345) 17.973 12.813 ( -0.396 -14.208 -0.511) 14.223 13.495 ( 2.501 1.474 0.234) 2.913 13.539 ( -2.751 10.863 -0.207) 11.208 14.715 ( 5.119 0.690 -0.673) 5.209 15.042 ( -5.444 -1.393 -0.849) 5.683 15.725 ( 0.203 0.822 -1.330) 1.576 16.100 ( -1.893 0.862 2.412) 3.185 18.232 ( -0.341 0.681 -0.208) 0.789 19.057 ( 2.782 2.371 -0.116) 3.657 ======================= Grid point 340 (139/481) ======================= q-point: (-0.31 -0.75 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -0.702 0.733 1.186) 1.561 3.188 ( -0.493 -1.811 -1.637) 2.490 3.334 ( -1.379 1.513 3.378) 3.950 4.011 ( 1.238 -2.318 -3.567) 4.431 4.260 ( 10.922 -0.924 -3.500) 11.506 4.401 ( -1.423 -3.807 -0.354) 4.079 4.482 ( -5.868 -1.579 2.774) 6.680 4.770 ( 0.922 -9.479 2.285) 9.794 4.995 ( -5.081 -4.069 2.190) 6.868 5.321 ( 2.075 -5.465 -4.613) 7.447 5.449 ( -0.397 -5.422 0.831) 5.499 6.071 ( 0.118 -2.897 0.773) 3.000 6.326 ( 1.509 -4.088 -1.062) 4.485 6.423 ( -1.041 10.173 1.485) 10.333 8.577 ( 4.874 4.135 1.105) 6.486 8.785 ( -5.521 -2.510 -0.679) 6.103 9.698 ( 1.943 -16.821 0.557) 16.942 10.330 ( 0.595 9.591 -0.510) 9.623 11.134 ( -3.225 -0.962 5.321) 6.296 12.009 ( 2.698 0.936 -4.046) 4.952 12.789 ( -0.223 -15.754 0.689) 15.771 13.021 ( 0.035 -8.506 -0.798) 8.544 13.325 ( -0.816 9.129 1.201) 9.244 13.499 ( 0.497 0.945 -0.512) 1.184 14.646 ( 0.785 8.040 -0.448) 8.091 15.099 ( -0.787 -7.142 -0.361) 7.195 15.735 ( 0.037 -1.843 -0.741) 1.987 16.091 ( -0.974 0.193 1.253) 1.599 18.201 ( -0.353 1.967 -0.205) 2.009 19.008 ( 1.236 3.668 0.001) 3.871 ======================= Grid point 341 (140/481) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -1.145 1.694 0.889) 2.230 3.197 ( -0.029 1.158 -1.287) 1.732 3.297 ( -1.840 1.620 3.022) 3.891 4.004 ( 1.284 2.124 -4.553) 5.185 4.285 ( 7.343 3.211 -3.470) 8.733 4.405 ( -2.470 1.212 -0.086) 2.753 4.497 ( -1.488 0.072 3.723) 4.010 4.955 ( -1.206 -9.208 2.258) 9.557 5.004 ( -4.705 -0.691 0.389) 4.772 5.295 ( 3.966 7.037 -0.775) 8.115 5.577 ( 0.811 -5.682 -1.840) 6.028 6.113 ( -0.614 -0.927 0.292) 1.150 6.203 ( 0.201 7.274 1.130) 7.364 6.460 ( -0.409 -4.282 -0.832) 4.382 8.484 ( -0.059 6.918 1.097) 7.004 8.849 ( 0.297 -5.807 -0.705) 5.857 10.001 ( 2.590 -12.169 -0.151) 12.442 10.086 ( -2.229 13.930 -1.255) 14.163 11.153 ( -2.733 -0.877 5.678) 6.363 11.982 ( 2.248 1.756 -3.973) 4.891 12.990 ( -0.006 -2.737 0.110) 2.739 13.088 ( 0.317 3.367 -0.394) 3.404 13.237 ( -0.435 -1.983 1.757) 2.685 13.505 ( -0.379 -4.154 -0.861) 4.259 14.452 ( 0.413 12.036 -0.171) 12.044 15.269 ( 0.349 -10.222 -0.458) 10.238 15.780 ( -0.042 -2.897 -0.456) 2.933 16.079 ( -0.761 1.233 1.080) 1.807 18.166 ( -0.005 1.283 -0.162) 1.293 18.946 ( 0.303 3.094 -0.230) 3.117 ======================= Grid point 342 (141/481) ======================= q-point: (-0.19 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -0.969 3.017 1.064) 3.342 3.103 ( 0.276 8.804 2.644) 9.196 3.299 ( -1.668 -1.888 -0.519) 2.572 3.921 ( 2.767 6.716 -3.790) 8.193 4.204 ( 2.602 6.448 -3.848) 7.947 4.337 ( -0.811 4.961 -1.454) 5.233 4.472 ( -0.414 3.039 2.860) 4.193 4.962 ( -2.376 3.798 -1.720) 4.799 5.075 ( -3.524 -2.189 2.213) 4.701 5.188 ( 5.014 4.534 1.562) 6.939 5.610 ( 0.160 2.731 0.309) 2.753 6.093 ( 1.767 0.515 0.744) 1.985 6.145 ( -0.019 1.845 1.034) 2.115 6.502 ( -2.300 -1.837 -2.905) 4.136 8.356 ( -0.994 6.091 0.877) 6.234 8.977 ( 2.649 -6.574 -1.399) 7.225 9.740 ( -1.077 18.620 -2.561) 18.826 10.213 ( 0.046 -7.180 -0.486) 7.197 11.175 ( -2.637 -1.131 5.903) 6.563 11.955 ( 2.136 0.810 -3.851) 4.478 12.887 ( -0.474 15.678 -0.273) 15.687 12.946 ( 0.427 4.824 0.597) 4.880 13.334 ( 0.050 -3.346 1.273) 3.580 13.649 ( -2.386 -10.825 -0.951) 11.126 14.244 ( 3.122 9.604 0.049) 10.099 15.452 ( -0.223 -9.014 -1.184) 9.094 15.833 ( -0.157 -2.795 -0.947) 2.955 16.043 ( -1.491 2.317 2.761) 3.901 18.157 ( 0.705 -0.071 -0.097) 0.715 18.902 ( 0.312 1.516 -0.984) 1.834 ======================= Grid point 343 (142/481) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -0.923 6.857 2.027) 7.209 2.908 ( 1.598 13.534 4.861) 14.469 3.326 ( -1.661 -2.221 -1.927) 3.377 3.750 ( 5.140 13.029 -0.324) 14.010 4.075 ( 2.058 6.649 -8.515) 10.997 4.209 ( -2.680 6.251 -2.402) 7.213 4.399 ( 0.489 5.624 1.546) 5.853 4.807 ( 3.538 11.972 0.210) 12.486 5.042 ( -5.532 2.379 4.272) 7.383 5.148 ( 1.504 5.285 -1.584) 5.719 5.481 ( -1.186 9.740 1.462) 9.921 6.067 ( -1.194 4.983 -0.900) 5.203 6.211 ( 6.849 -7.906 4.879) 11.543 6.495 ( -4.427 -1.261 -4.449) 6.402 8.265 ( -0.500 3.294 1.083) 3.503 9.077 ( 3.778 -0.765 -3.083) 4.936 9.387 ( -2.780 15.176 -2.240) 15.591 10.264 ( 0.696 1.543 -1.108) 2.023 11.200 ( -2.920 -0.980 5.615) 6.405 11.959 ( 2.314 -1.274 -3.483) 4.371 12.550 ( -0.981 18.434 -0.525) 18.467 12.849 ( -0.441 6.154 0.001) 6.170 13.298 ( 0.833 7.310 1.113) 7.441 13.841 ( -3.962 -11.594 -0.614) 12.268 14.184 ( 5.938 -0.316 0.192) 5.950 15.577 ( -0.347 -4.786 -3.213) 5.775 15.855 ( -1.189 0.336 -0.741) 1.441 16.025 ( -2.724 -1.510 5.777) 6.564 18.171 ( 1.426 -0.525 -0.045) 1.520 18.884 ( 1.229 0.549 -2.563) 2.895 ======================= Grid point 344 (143/481) ======================= q-point: (-0.06 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -0.443 14.700 5.036) 15.545 2.667 ( 4.269 15.436 6.459) 17.269 3.344 ( -1.950 -1.219 -2.808) 3.630 3.519 ( 7.527 14.508 0.622) 16.356 3.888 ( 0.269 11.486 -10.128) 15.316 4.081 ( -1.506 5.221 -4.043) 6.773 4.276 ( 1.587 8.463 -0.041) 8.611 4.582 ( 4.750 15.096 3.123) 16.131 4.901 ( -1.618 15.225 2.883) 15.579 4.991 ( -5.658 5.993 -1.514) 8.380 5.309 ( -0.321 7.781 1.791) 7.991 5.946 ( -0.708 5.957 -1.414) 6.163 6.449 ( 4.384 -4.727 -0.658) 6.480 6.510 ( -1.419 -10.099 3.261) 10.707 8.238 ( 0.030 0.179 2.326) 2.333 8.900 ( 0.968 16.976 -4.684) 17.637 9.247 ( -0.885 0.945 -1.237) 1.791 10.166 ( 1.494 8.899 -1.272) 9.113 11.206 ( -3.116 0.463 4.952) 5.869 11.984 ( 2.132 1.107 -1.807) 3.006 12.237 ( -1.612 11.220 -2.259) 11.558 12.685 ( -1.956 10.452 -0.439) 10.642 13.164 ( 3.310 6.502 0.289) 7.302 14.034 ( -3.391 -11.691 -0.260) 12.176 14.258 ( 5.026 -1.681 0.367) 5.312 15.592 ( 2.598 1.724 -7.589) 8.204 15.831 ( -6.255 -0.872 5.255) 8.216 16.112 ( -2.407 -6.656 5.885) 9.205 18.180 ( 1.520 0.731 -0.080) 1.689 18.865 ( 2.690 1.708 -5.286) 6.173 ======================= Grid point 350 (144/481) ======================= q-point: ( 0.31 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 11.588 0.000 6.388) 13.232 1.967 ( 19.376 0.000 8.687) 21.234 2.206 ( -1.953 -0.000 -7.777) 8.019 2.858 ( 1.553 0.000 4.505) 4.765 2.971 ( 12.516 0.000 -2.016) 12.678 3.021 ( -5.007 -0.000 -3.665) 6.205 3.245 ( -8.372 -0.000 -5.623) 10.086 3.678 ( 2.215 0.000 5.231) 5.681 3.820 ( 12.444 0.000 12.597) 17.707 4.839 ( 2.221 0.000 -0.822) 2.368 5.119 ( -2.726 -0.000 -11.118) 11.448 5.852 ( -15.805 -0.000 -1.057) 15.840 6.362 ( 3.252 0.000 -0.809) 3.351 6.590 ( -5.948 -0.000 -0.041) 5.948 8.015 ( -2.608 -0.000 -0.823) 2.735 8.777 ( 0.098 0.000 -0.119) 0.155 9.227 ( 4.845 0.000 -8.317) 9.625 9.449 ( -1.292 -0.000 8.743) 8.838 11.239 ( -1.955 -0.000 11.991) 12.149 11.447 ( -16.052 -0.000 -4.762) 16.743 11.871 ( 10.615 0.000 -8.940) 13.878 12.793 ( -6.801 -0.000 4.517) 8.165 12.925 ( -0.401 -0.000 0.293) 0.496 13.093 ( 0.919 0.000 -0.201) 0.941 14.976 ( -1.581 -0.000 -5.573) 5.793 15.924 ( -3.555 -0.000 -6.095) 7.056 16.442 ( -0.211 -0.000 0.006) 0.211 16.768 ( -3.079 -0.000 6.611) 7.293 17.425 ( 23.275 0.000 -1.092) 23.301 17.949 ( 0.143 0.000 -0.033) 0.147 ======================= Grid point 351 (145/481) ======================= q-point: ( 0.38 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 13.866 -0.674 3.435) 14.301 2.270 ( 13.039 -15.554 9.218) 22.292 2.386 ( 2.070 -18.820 -8.878) 20.912 2.958 ( 1.323 -8.355 2.583) 8.845 3.037 ( -1.429 -4.060 -1.989) 4.742 3.095 ( -1.835 -8.329 -0.203) 8.531 3.222 ( -0.495 -4.601 -2.411) 5.218 3.665 ( -10.469 -2.251 0.465) 10.718 4.031 ( 22.552 -4.364 12.933) 26.361 4.841 ( 2.862 0.990 -1.583) 3.418 5.031 ( -3.155 3.187 -10.009) 10.968 5.744 ( -15.483 0.887 -1.117) 15.549 6.339 ( 3.602 3.321 0.762) 4.958 6.701 ( -5.213 -13.532 0.162) 14.502 7.971 ( -1.871 2.762 -0.913) 3.459 8.896 ( 0.214 -11.595 -0.078) 11.597 9.204 ( 3.101 1.474 -11.062) 11.583 9.403 ( 0.661 6.456 8.728) 10.877 11.273 ( -2.082 -0.866 12.868) 13.064 11.368 ( -13.002 -2.771 -5.533) 14.400 11.845 ( 11.089 5.612 -8.273) 14.930 12.648 ( -9.533 8.044 4.727) 13.339 13.131 ( 1.857 -16.316 0.089) 16.422 13.196 ( 1.125 -9.982 -0.006) 10.045 14.943 ( -1.518 0.781 -5.963) 6.203 15.505 ( 0.063 27.629 -3.371) 27.834 16.542 ( -8.174 -0.147 3.698) 8.972 17.000 ( 3.654 -18.260 1.167) 18.658 17.271 ( 9.197 16.544 -0.117) 18.929 18.209 ( 6.963 -18.541 -0.896) 19.825 ======================= Grid point 352 (146/481) ======================= q-point: ( 0.44 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 16.540 -7.746 2.269) 18.404 2.644 ( 0.444 -17.815 2.331) 17.972 2.799 ( 9.797 -20.193 -2.015) 22.534 3.044 ( -10.037 -3.697 -3.676) 11.310 3.166 ( -2.068 -12.508 -1.481) 12.764 3.318 ( 3.170 -14.307 2.903) 14.939 3.448 ( 6.457 -15.676 2.435) 17.127 3.687 ( -8.620 -6.672 1.872) 11.060 4.277 ( 12.429 -6.943 5.555) 15.282 4.818 ( 3.959 3.085 -4.657) 6.846 4.930 ( -4.447 1.226 -4.282) 6.294 5.657 ( -12.015 -0.913 -0.367) 12.056 6.298 ( 3.883 4.055 1.974) 5.951 6.994 ( -3.362 -19.134 0.695) 19.439 7.895 ( -1.627 3.460 -1.126) 3.985 9.086 ( 0.583 -2.107 -3.390) 4.034 9.144 ( 2.001 2.863 -7.922) 8.658 9.391 ( 1.948 -8.039 6.668) 10.624 11.330 ( -0.184 -0.782 7.664) 7.706 11.394 ( -9.111 -10.095 -1.632) 13.696 11.771 ( 8.953 5.280 -5.391) 11.709 12.445 ( -10.593 8.625 4.269) 14.311 13.381 ( 4.999 -9.233 0.002) 10.500 13.539 ( 1.074 -22.454 0.071) 22.480 14.859 ( 0.190 9.260 -4.339) 10.228 15.049 ( -2.936 14.641 -4.343) 15.551 16.450 ( -7.043 5.100 4.165) 9.642 16.813 ( 6.325 24.791 1.238) 25.615 17.518 ( -0.440 -22.700 -0.850) 22.720 18.578 ( 7.531 -15.622 -0.902) 17.366 ======================= Grid point 353 (147/481) ======================= q-point: ( 0.50 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 12.623 -8.595 1.790) 15.376 2.951 ( 0.448 -13.612 1.169) 13.670 3.050 ( -5.958 -5.219 -1.900) 8.145 3.182 ( 6.288 -13.994 -0.410) 15.348 3.418 ( -2.317 -17.108 -2.007) 17.381 3.654 ( 1.880 -17.812 3.490) 18.248 3.763 ( 1.925 -12.427 2.579) 12.837 3.893 ( 2.126 -16.485 1.120) 16.659 4.453 ( -2.603 -7.874 -2.096) 8.554 4.745 ( 1.763 2.009 -9.441) 9.813 4.944 ( -1.127 -3.634 6.311) 7.369 5.650 ( -6.343 -4.238 0.301) 7.635 6.242 ( 2.924 4.726 2.580) 6.127 7.289 ( 0.016 -8.606 0.800) 8.643 7.880 ( -2.569 -7.209 -0.941) 7.711 9.020 ( -1.206 4.554 -5.430) 7.188 9.044 ( 4.174 5.365 -4.234) 8.008 9.727 ( 1.732 -19.830 3.970) 20.298 11.343 ( 1.032 1.988 3.028) 3.766 11.623 ( -3.396 -17.453 0.801) 17.798 11.751 ( 3.593 -1.505 -0.972) 4.015 12.249 ( -8.621 6.800 2.180) 11.194 13.542 ( 6.253 -3.659 0.387) 7.255 13.943 ( -0.179 -17.819 -0.030) 17.820 14.556 ( 3.247 15.997 -2.179) 16.468 14.942 ( -6.509 -2.610 -5.990) 9.223 16.316 ( -4.340 7.771 4.434) 9.945 16.393 ( 1.897 20.936 0.026) 21.022 17.880 ( -0.012 -15.945 -0.279) 15.948 18.858 ( 5.919 -10.239 -0.400) 11.833 ======================= Grid point 354 (148/481) ======================= q-point: ( 0.56 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 5.006 -5.554 2.233) 7.803 3.081 ( -3.149 -3.339 -2.241) 5.108 3.183 ( 2.262 -7.812 2.815) 8.606 3.472 ( 3.508 -14.220 -0.527) 14.656 3.732 ( 0.457 -16.642 -1.080) 16.683 3.998 ( -2.666 -16.924 0.531) 17.141 4.041 ( 6.125 -14.599 3.310) 16.174 4.181 ( 4.689 -11.732 -1.113) 12.683 4.497 ( -8.261 -1.349 -3.678) 9.142 4.791 ( -3.159 -11.062 -9.654) 15.018 5.070 ( 0.583 -6.336 10.836) 12.566 5.740 ( -1.267 -7.329 0.237) 7.441 6.180 ( 1.776 4.026 2.927) 5.285 7.245 ( 0.005 10.410 -1.118) 10.470 8.162 ( -1.749 -20.138 0.596) 20.222 8.897 ( 1.136 6.280 -1.802) 6.631 9.014 ( 1.812 -2.343 -6.339) 6.997 10.099 ( 1.977 -16.456 3.582) 16.957 11.277 ( 0.152 6.131 3.845) 7.239 11.868 ( -0.574 -10.413 -0.455) 10.439 11.964 ( 1.011 -13.680 0.537) 13.728 12.160 ( -5.137 -5.790 0.407) 7.751 13.584 ( 4.669 2.280 0.005) 5.196 14.017 ( -2.795 9.474 0.109) 9.878 14.502 ( 5.932 -8.244 -2.056) 10.362 14.959 ( -6.116 -4.271 -4.366) 8.643 16.022 ( 1.669 16.519 0.353) 16.607 16.208 ( -4.222 4.934 2.878) 7.103 18.109 ( 0.144 -8.673 -0.055) 8.674 19.028 ( 4.121 -4.870 0.100) 6.381 ======================= Grid point 355 (149/481) ======================= q-point: (-0.38 -0.69 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 1.028 -2.771 2.505) 3.874 3.111 ( -1.895 -2.455 -2.286) 3.853 3.302 ( 0.149 -3.187 3.522) 4.752 3.733 ( 2.282 -11.818 -1.542) 12.135 4.022 ( 2.233 -13.290 -0.863) 13.503 4.217 ( 7.033 -5.881 -0.909) 9.212 4.341 ( -3.825 -14.966 -3.603) 15.861 4.432 ( -2.937 -3.789 -2.755) 5.529 4.496 ( 1.535 -13.889 6.687) 15.491 4.966 ( -5.497 -11.705 -8.209) 15.317 5.242 ( 0.632 -7.418 9.454) 12.034 5.887 ( 0.641 -7.747 -0.742) 7.809 6.153 ( 1.516 0.361 3.748) 4.059 6.984 ( -1.060 15.296 -2.247) 15.496 8.481 ( -1.530 -12.793 0.624) 12.899 8.800 ( 0.916 3.984 -1.499) 4.354 9.132 ( 2.244 -10.779 -2.666) 11.328 10.360 ( 1.670 -8.572 2.744) 9.154 11.175 ( -2.339 4.710 4.948) 7.220 11.994 ( 0.735 -1.788 -4.434) 4.837 12.153 ( -0.058 -14.448 2.819) 14.721 12.475 ( -0.946 -20.824 -0.246) 20.847 13.539 ( 1.551 3.383 -0.637) 3.776 13.770 ( -0.888 13.470 0.231) 13.501 14.691 ( 4.579 -6.433 -1.032) 7.964 14.979 ( -4.600 -2.206 -2.581) 5.717 15.799 ( 1.326 7.899 -0.919) 8.062 16.125 ( -3.131 2.579 2.678) 4.861 18.214 ( 0.085 -2.811 -0.110) 2.814 19.094 ( 2.353 -0.322 0.355) 2.401 ======================= Grid point 356 (150/481) ======================= q-point: (-0.31 -0.69 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -0.855 -0.328 1.746) 1.972 3.139 ( -1.260 -2.247 -2.021) 3.275 3.342 ( -1.638 -0.755 3.082) 3.571 3.923 ( 2.465 -7.346 -2.063) 8.018 4.233 ( 1.193 -8.716 -1.828) 8.985 4.328 ( 8.188 -1.457 -2.993) 8.839 4.400 ( -8.347 -3.582 1.782) 9.256 4.606 ( 2.940 -10.777 1.083) 11.223 4.816 ( -3.138 -13.141 3.556) 13.970 5.120 ( -0.544 -11.105 -6.627) 12.944 5.389 ( 0.866 -4.581 5.330) 7.081 6.003 ( -0.229 -4.739 -0.822) 4.815 6.225 ( 1.807 -5.221 3.277) 6.424 6.676 ( -1.582 15.338 -1.842) 15.529 8.611 ( -4.000 -2.950 0.321) 4.980 8.758 ( 3.901 1.254 -0.602) 4.142 9.398 ( 1.106 -15.934 0.358) 15.976 10.442 ( 0.889 1.467 1.234) 2.113 11.125 ( -3.063 0.766 5.133) 6.026 12.010 ( 1.993 -0.801 -4.201) 4.718 12.470 ( -0.288 -17.638 1.705) 17.723 12.805 ( -0.152 -14.363 -0.876) 14.390 13.493 ( -2.176 2.989 -1.007) 3.832 13.539 ( 2.187 9.487 1.007) 9.788 14.748 ( 0.786 1.933 -0.506) 2.147 14.998 ( -0.412 -3.181 -1.198) 3.424 15.723 ( 1.024 1.228 -1.264) 2.038 16.092 ( -1.976 0.426 1.935) 2.798 18.229 ( 0.097 0.824 -0.215) 0.857 19.078 ( 0.723 2.777 0.361) 2.893 ======================= Grid point 357 (151/481) ======================= q-point: (-0.25 -0.69 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -1.569 0.935 0.900) 2.036 3.168 ( -0.772 -2.132 -2.000) 3.023 3.336 ( -2.064 1.370 3.316) 4.139 4.008 ( 2.434 -1.297 -3.852) 4.737 4.341 ( 3.366 0.631 -3.379) 4.812 4.361 ( -2.264 -5.069 -1.299) 5.702 4.472 ( 0.953 -3.367 5.273) 6.329 4.795 ( -0.457 -7.907 2.937) 8.447 4.941 ( -3.923 -4.169 -0.599) 5.756 5.335 ( 4.390 -8.682 -3.216) 10.246 5.456 ( 0.624 -2.538 0.919) 2.771 6.071 ( -0.844 -3.083 0.435) 3.226 6.332 ( 0.821 -1.100 -0.835) 1.606 6.419 ( -1.494 7.545 1.510) 7.838 8.574 ( -6.163 2.957 0.941) 6.900 8.794 ( 7.177 -1.522 -0.311) 7.343 9.713 ( -0.361 -16.711 1.119) 16.753 10.330 ( 0.038 10.599 -0.546) 10.613 11.134 ( -2.882 -1.237 5.341) 6.194 12.009 ( 1.930 0.854 -4.029) 4.548 12.793 ( 0.067 -15.568 0.845) 15.591 13.013 ( -0.286 -8.669 -1.054) 8.738 13.328 ( -0.114 8.587 1.258) 8.679 13.496 ( -0.226 1.493 -0.580) 1.617 14.648 ( -0.006 7.982 -0.383) 7.991 15.098 ( 1.002 -7.357 -0.404) 7.436 15.733 ( 0.472 -1.695 -0.814) 1.939 16.087 ( -1.028 -0.010 1.097) 1.504 18.199 ( 0.403 1.978 -0.239) 2.033 19.014 ( -0.408 3.892 0.194) 3.918 ======================= Grid point 358 (152/481) ======================= q-point: (-0.19 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -1.222 1.431 0.640) 1.987 3.189 ( 0.074 -0.314 -1.298) 1.338 3.294 ( -2.268 2.525 3.157) 4.635 3.994 ( 2.695 2.155 -5.289) 6.316 4.299 ( -1.286 3.349 -1.474) 3.878 4.397 ( 1.023 1.059 -1.902) 2.405 4.529 ( 2.273 0.830 5.122) 5.665 4.906 ( -6.434 -4.899 -0.119) 8.088 4.997 ( 1.016 -3.747 1.195) 4.062 5.351 ( 5.565 6.002 0.371) 8.193 5.573 ( 0.751 -6.271 -2.105) 6.658 6.105 ( -1.083 -0.648 0.346) 1.308 6.214 ( 0.348 5.848 0.837) 5.918 6.442 ( -1.645 -2.711 -0.793) 3.269 8.461 ( -4.400 5.581 1.044) 7.183 8.890 ( 6.765 -4.412 -0.586) 8.098 9.995 ( -3.962 -9.048 0.265) 9.881 10.074 ( 2.250 11.693 -1.696) 12.028 11.159 ( -2.791 -1.086 5.725) 6.461 11.980 ( 1.984 1.684 -3.955) 4.735 12.991 ( 0.099 -2.660 0.122) 2.664 13.088 ( 0.072 2.874 -0.368) 2.898 13.249 ( 0.278 -1.916 1.951) 2.748 13.481 ( -2.523 -3.329 -1.133) 4.328 14.472 ( 2.997 11.068 -0.121) 11.467 15.263 ( -0.702 -9.720 -0.441) 9.755 15.775 ( -0.228 -2.678 -0.474) 2.729 16.078 ( -0.595 1.075 1.014) 1.593 18.171 ( 1.067 1.150 -0.176) 1.578 18.943 ( -0.608 3.051 -0.200) 3.118 ======================= Grid point 359 (153/481) ======================= q-point: (-0.12 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -0.590 2.699 0.799) 2.876 3.130 ( 1.030 7.406 3.360) 8.198 3.273 ( -2.040 -1.331 -0.547) 2.496 3.934 ( 4.503 4.787 -4.939) 8.221 4.195 ( -0.389 6.593 -1.204) 6.713 4.311 ( -1.161 6.676 -3.386) 7.575 4.504 ( 2.129 4.208 3.238) 5.721 4.914 ( -3.774 0.187 -1.489) 4.061 5.056 ( -1.933 -0.267 1.590) 2.517 5.267 ( 6.221 6.076 1.961) 8.915 5.607 ( -0.901 2.949 0.038) 3.084 6.106 ( -0.765 0.026 0.051) 0.767 6.168 ( 2.879 -0.303 2.047) 3.545 6.448 ( -3.043 -0.397 -3.325) 4.525 8.342 ( -2.056 5.005 0.731) 5.460 9.020 ( 5.794 -5.343 -1.369) 8.000 9.696 ( -3.307 18.841 -2.694) 19.318 10.216 ( 1.171 -6.883 -0.575) 7.006 11.181 ( -3.112 -1.066 5.919) 6.772 11.954 ( 2.270 0.679 -3.876) 4.543 12.874 ( -1.352 15.315 -0.305) 15.377 12.958 ( 0.884 5.728 0.701) 5.838 13.346 ( 0.398 -3.178 1.397) 3.494 13.600 ( -4.512 -10.541 -1.092) 11.519 14.304 ( 6.752 8.489 0.033) 10.847 15.426 ( -2.876 -8.525 -1.043) 9.057 15.820 ( -0.931 -2.511 -0.845) 2.808 16.048 ( -0.752 2.074 2.588) 3.401 18.171 ( 1.856 -0.224 -0.080) 1.871 18.899 ( 0.304 1.323 -1.054) 1.718 ======================= Grid point 360 (154/481) ======================= q-point: (-0.06 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 0.097 6.247 1.564) 6.440 2.971 ( 2.979 11.954 6.218) 13.800 3.292 ( -1.914 -1.902 -2.005) 3.362 3.816 ( 6.588 10.842 -0.643) 12.703 4.044 ( 2.328 8.564 -8.191) 12.078 4.156 ( -3.113 6.193 -2.734) 7.451 4.424 ( 1.645 6.379 1.481) 6.752 4.830 ( 0.460 8.067 -0.737) 8.114 4.997 ( -5.750 3.370 2.920) 7.276 5.183 ( 4.073 8.887 1.301) 9.862 5.475 ( -1.380 8.952 0.937) 9.106 6.037 ( -2.739 4.929 -0.829) 5.699 6.327 ( 6.174 -10.484 4.106) 12.841 6.414 ( -2.824 0.032 -4.160) 5.028 8.268 ( -0.038 2.411 1.001) 2.611 9.113 ( 5.682 0.702 -3.060) 6.491 9.325 ( -5.166 14.869 -2.243) 15.899 10.272 ( 2.139 1.539 -1.308) 2.942 11.200 ( -3.526 -0.784 5.506) 6.585 11.963 ( 2.380 -1.529 -3.479) 4.483 12.532 ( -1.569 18.735 -0.469) 18.807 12.843 ( -0.629 7.522 0.113) 7.549 13.320 ( 1.658 6.186 1.150) 6.507 13.784 ( -4.668 -12.083 -0.707) 12.973 14.269 ( 8.178 0.269 0.146) 8.184 15.527 ( -4.800 -4.969 -2.296) 7.281 15.834 ( -1.208 0.424 -1.325) 1.843 16.038 ( -1.613 -1.392 5.585) 5.977 18.193 ( 2.257 -0.450 -0.008) 2.302 18.885 ( 2.055 0.515 -2.638) 3.383 ======================= Grid point 367 (155/481) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 15.614 0.000 3.174) 15.933 2.136 ( -1.733 -0.000 -2.465) 3.013 2.243 ( 18.723 0.000 3.320) 19.015 2.844 ( -7.686 -0.000 -0.602) 7.710 2.974 ( 0.548 0.000 -0.161) 0.571 3.003 ( -11.492 -0.000 -0.724) 11.514 3.197 ( 8.875 0.000 0.806) 8.911 3.586 ( -9.788 -0.000 -0.872) 9.827 4.173 ( 22.427 0.000 10.435) 24.736 4.863 ( 3.016 0.000 -1.587) 3.408 5.017 ( -1.831 -0.000 -9.740) 9.910 5.655 ( -16.126 -0.000 -0.742) 16.143 6.408 ( 3.268 0.000 2.337) 4.018 6.528 ( -4.687 -0.000 0.012) 4.687 7.987 ( -1.312 -0.000 -0.526) 1.414 8.777 ( 0.087 0.000 -0.212) 0.230 9.199 ( 2.869 0.000 -13.237) 13.544 9.489 ( -0.987 -0.000 6.241) 6.319 11.235 ( -12.399 -0.000 -2.561) 12.661 11.314 ( -2.366 -0.000 12.032) 12.262 11.948 ( 13.163 0.000 -9.589) 16.286 12.729 ( -9.621 -0.000 5.037) 10.860 12.923 ( -0.342 -0.000 0.374) 0.507 13.101 ( 0.724 0.000 -0.241) 0.763 14.927 ( 0.321 0.000 -6.844) 6.851 15.852 ( -2.819 -0.000 -4.241) 5.093 16.440 ( -0.163 -0.000 -0.007) 0.163 16.776 ( -2.260 -0.000 5.063) 5.544 17.653 ( 15.648 0.000 1.536) 15.723 17.951 ( 0.114 0.000 -0.022) 0.116 ======================= Grid point 368 (156/481) ======================= q-point: ( 0.44 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 13.587 -3.934 1.327) 14.208 2.333 ( 3.383 -13.215 -1.775) 13.756 2.515 ( 15.434 -15.233 3.387) 21.949 2.883 ( -11.459 -7.559 -2.774) 14.005 2.942 ( -13.087 -4.754 0.825) 13.948 3.086 ( 1.759 -10.549 0.879) 10.731 3.313 ( 9.804 -5.584 2.913) 11.653 3.550 ( -9.017 -2.690 -0.663) 9.433 4.317 ( 14.705 -0.583 3.266) 15.075 4.871 ( 4.549 0.798 -0.733) 4.676 4.943 ( -1.747 3.528 -7.168) 8.178 5.570 ( -12.983 -0.550 0.547) 13.006 6.398 ( 3.630 2.989 3.682) 5.972 6.647 ( -4.159 -13.781 0.119) 14.396 7.952 ( -0.589 2.870 -0.562) 2.984 8.897 ( 0.165 -11.702 -0.451) 11.711 9.142 ( 1.502 2.290 -15.549) 15.789 9.454 ( -0.298 4.266 5.618) 7.061 11.192 ( -9.686 -4.082 -4.614) 11.479 11.350 ( -1.849 -0.515 14.245) 14.374 11.932 ( 13.522 5.991 -8.694) 17.156 12.563 ( -10.942 8.797 5.723) 15.162 13.144 ( 0.622 -18.273 -0.158) 18.285 13.208 ( 0.880 -10.179 -0.070) 10.218 14.892 ( 0.431 1.520 -7.562) 7.725 15.485 ( -0.113 26.551 -2.540) 26.673 16.481 ( -5.392 0.610 1.829) 5.726 17.042 ( 1.935 -22.707 1.897) 22.868 17.357 ( 4.948 24.682 1.547) 25.220 18.282 ( 5.513 -19.999 0.549) 20.753 ======================= Grid point 369 (157/481) ======================= q-point: ( 0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 16.860 -6.566 1.930) 18.196 2.630 ( -0.781 -17.976 -1.466) 18.053 2.878 ( -12.000 -6.601 -3.177) 14.059 2.942 ( 9.653 -17.656 4.764) 20.679 3.110 ( -5.601 -13.507 0.374) 14.627 3.358 ( 1.012 -15.646 0.771) 15.698 3.546 ( 5.793 -12.712 3.151) 14.321 3.607 ( -6.836 -10.474 -0.087) 12.508 4.372 ( 2.841 -0.600 -5.397) 6.129 4.800 ( 0.579 5.740 -10.730) 12.182 4.930 ( 3.635 -1.416 8.657) 9.496 5.547 ( -6.771 -2.914 1.929) 7.620 6.360 ( 2.693 4.566 4.396) 6.887 6.964 ( -2.167 -20.665 0.286) 20.780 7.877 ( -0.277 4.154 -0.817) 4.242 9.030 ( -0.644 3.379 -14.392) 14.797 9.109 ( 0.369 -5.415 -4.652) 7.149 9.461 ( 1.417 -7.235 7.671) 10.639 11.253 ( -6.175 -8.528 -4.773) 11.561 11.424 ( -0.560 -4.273 12.672) 13.385 11.852 ( 11.288 7.078 -5.690) 14.488 12.352 ( -10.739 8.548 5.292) 14.710 13.424 ( 2.406 -11.159 0.177) 11.417 13.550 ( 0.706 -22.544 -0.312) 22.558 14.827 ( 1.292 3.990 -7.607) 8.686 15.002 ( -1.360 21.289 -2.390) 21.466 16.401 ( -4.965 4.491 2.202) 7.047 16.878 ( 3.088 26.678 1.674) 26.909 17.517 ( 0.356 -22.742 0.687) 22.755 18.650 ( 4.757 -15.455 0.922) 16.197 ======================= Grid point 370 (158/481) ======================= q-point: (-0.44 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 6.544 -4.553 2.943) 8.498 2.946 ( -5.818 -7.630 -3.362) 10.167 2.972 ( 1.921 -16.939 0.463) 17.053 3.273 ( 4.745 -9.903 4.246) 11.774 3.396 ( 0.676 -18.940 0.702) 18.965 3.633 ( -4.495 -15.821 0.400) 16.452 3.809 ( -0.164 -14.986 1.038) 15.022 3.923 ( 1.316 -18.997 0.396) 19.047 4.382 ( -2.581 -4.205 -6.912) 8.492 4.672 ( -0.932 2.878 -11.548) 11.938 5.031 ( 3.421 -3.085 11.709) 12.582 5.613 ( -1.168 -5.640 2.267) 6.190 6.292 ( 1.255 5.277 4.517) 7.058 7.285 ( -0.974 -9.186 -0.693) 9.263 7.859 ( -0.214 -6.836 -0.464) 6.855 8.914 ( -3.758 2.015 -13.142) 13.817 9.078 ( 3.380 4.742 -2.968) 6.537 9.782 ( 1.498 -19.124 6.500) 20.253 11.345 ( -2.303 -2.617 0.229) 3.494 11.632 ( 0.913 -14.854 5.502) 15.867 11.790 ( 4.087 1.623 -1.234) 4.567 12.176 ( -6.118 5.722 2.175) 8.655 13.595 ( 2.229 -4.448 0.531) 5.003 13.940 ( -0.187 -16.403 -0.009) 16.404 14.581 ( 3.475 14.813 -2.559) 15.429 14.842 ( -2.891 -2.284 -7.093) 7.993 16.287 ( -3.859 5.413 2.146) 6.985 16.417 ( 1.097 23.539 1.091) 23.590 17.885 ( 0.657 -15.726 0.622) 15.752 18.914 ( 3.213 -9.862 1.197) 10.441 ======================= Grid point 371 (159/481) ======================= q-point: (-0.38 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -0.261 -4.062 3.728) 5.520 3.025 ( -2.236 -4.458 -2.909) 5.774 3.232 ( 1.324 -7.294 3.115) 8.041 3.500 ( 2.017 -12.876 -0.165) 13.034 3.744 ( 1.600 -16.601 0.660) 16.691 3.954 ( -4.113 -20.230 -1.145) 20.675 4.047 ( -4.135 -11.990 -0.743) 12.705 4.254 ( 3.439 -14.113 0.861) 14.552 4.452 ( 5.117 -1.401 -0.920) 5.385 4.669 ( -4.677 -10.483 -11.868) 16.511 5.159 ( 1.195 -5.184 11.258) 12.452 5.746 ( 1.194 -7.363 1.265) 7.566 6.221 ( 0.899 4.059 5.001) 6.503 7.219 ( -1.903 10.742 -3.439) 11.438 8.155 ( -0.234 -19.747 0.690) 19.760 8.834 ( -4.946 0.367 -6.870) 8.473 9.034 ( 5.419 0.124 -3.876) 6.664 10.148 ( 1.064 -15.886 5.423) 16.820 11.297 ( -1.389 6.286 4.400) 7.797 11.854 ( -0.887 -8.597 -1.383) 8.753 11.987 ( 1.417 -14.195 1.967) 14.400 12.126 ( -0.745 -6.846 0.071) 6.887 13.611 ( -0.166 2.821 -0.183) 2.832 14.002 ( 0.161 9.251 0.311) 9.258 14.543 ( 2.676 -8.550 -1.485) 9.081 14.882 ( -0.833 -4.533 -5.893) 7.481 16.041 ( 1.171 16.937 0.399) 16.982 16.180 ( -3.468 4.430 2.062) 5.992 18.115 ( 0.553 -8.366 0.361) 8.392 19.065 ( 1.588 -4.434 1.222) 4.866 ======================= Grid point 372 (160/481) ======================= q-point: (-0.31 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -1.992 -2.136 3.193) 4.328 3.071 ( -2.075 -3.055 -2.796) 4.632 3.314 ( -1.803 -2.154 3.010) 4.118 3.752 ( 2.640 -11.853 -0.874) 12.175 4.010 ( -3.553 -12.363 -1.703) 12.976 4.217 ( -4.503 -11.639 1.525) 12.572 4.340 ( 5.026 -16.166 -1.434) 16.990 4.381 ( 1.740 -1.919 -5.845) 6.393 4.599 ( 3.481 -9.833 7.484) 12.838 4.863 ( -1.204 -13.678 -8.526) 16.163 5.309 ( 0.478 -6.370 8.557) 10.678 5.886 ( 0.094 -6.681 -0.968) 6.751 6.205 ( 1.922 0.085 6.141) 6.435 6.941 ( -2.644 14.898 -4.384) 15.753 8.452 ( -3.438 -11.092 -0.434) 11.621 8.802 ( 1.077 -0.093 -1.382) 1.755 9.144 ( 2.531 -10.446 -2.175) 10.966 10.394 ( 0.236 -7.807 3.882) 8.722 11.183 ( -2.359 5.350 5.373) 7.940 11.971 ( 0.671 -3.487 -4.820) 5.987 12.174 ( 0.264 -13.004 3.044) 13.359 12.471 ( 0.659 -20.615 -0.417) 20.630 13.529 ( -2.163 3.770 -0.964) 4.452 13.780 ( 2.019 13.110 0.551) 13.276 14.708 ( -1.410 -5.906 -0.251) 6.077 14.943 ( 2.727 -3.317 -3.993) 5.863 15.812 ( 1.855 8.306 -0.638) 8.535 16.106 ( -2.903 2.088 2.113) 4.153 18.217 ( 0.417 -2.574 0.028) 2.608 19.112 ( -0.031 0.114 0.975) 0.982 ======================= Grid point 373 (161/481) ======================= q-point: (-0.25 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -2.455 0.086 1.821) 3.058 3.106 ( -1.817 -2.979 -2.579) 4.339 3.338 ( -2.580 -0.738 3.056) 4.067 3.946 ( 3.732 -6.641 -1.827) 7.834 4.180 ( -5.768 -10.056 -2.135) 11.788 4.318 ( -4.755 -2.208 -0.664) 5.285 4.445 ( 9.704 -4.394 0.443) 10.662 4.650 ( 2.676 -10.711 1.664) 11.165 4.781 ( -5.217 -9.121 1.155) 10.571 5.111 ( 5.017 -13.793 -4.276) 15.287 5.433 ( 0.849 -3.492 4.714) 5.928 5.987 ( -1.267 -5.094 -1.284) 5.404 6.275 ( 2.044 -3.454 4.954) 6.376 6.634 ( -2.786 14.057 -3.236) 14.692 8.530 ( -7.924 -2.489 -0.255) 8.310 8.840 ( 8.705 -0.419 -0.041) 8.715 9.403 ( -0.981 -15.854 0.749) 15.902 10.456 ( -0.334 2.293 1.754) 2.907 11.127 ( -2.527 0.985 5.130) 5.802 12.001 ( 1.416 -1.162 -4.379) 4.746 12.480 ( -0.115 -17.381 1.906) 17.486 12.799 ( 0.226 -13.946 -1.060) 13.988 13.458 ( -2.647 2.972 -0.854) 4.070 13.576 ( 2.903 9.324 0.868) 9.804 14.722 ( -4.459 1.392 -0.447) 4.692 15.021 ( 5.524 -3.202 -1.578) 6.577 15.732 ( 1.877 1.791 -1.162) 2.843 16.081 ( -2.026 -0.014 1.776) 2.694 18.231 ( 0.509 0.863 -0.184) 1.019 19.078 ( -1.339 3.035 0.607) 3.372 ======================= Grid point 374 (162/481) ======================= q-point: (-0.19 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -1.935 0.759 0.941) 2.282 3.145 ( -0.762 -2.764 -1.904) 3.441 3.330 ( -2.682 1.082 3.212) 4.321 4.015 ( 3.411 -0.147 -4.524) 5.668 4.286 ( -5.441 -3.447 -1.815) 6.692 4.350 ( -0.828 -4.360 -0.633) 4.482 4.565 ( 7.320 -1.641 4.640) 8.820 4.773 ( -5.994 -5.134 1.734) 8.081 4.927 ( 2.125 -6.236 -0.467) 6.604 5.371 ( 4.813 -10.833 -2.796) 12.179 5.473 ( 1.327 0.316 0.784) 1.573 6.059 ( -1.415 -3.529 -0.088) 3.803 6.335 ( 0.518 3.103 -0.801) 3.247 6.408 ( -2.224 3.858 1.887) 4.836 8.493 ( -7.654 1.210 0.669) 7.778 8.900 ( 10.081 -0.294 0.024) 10.085 9.705 ( -2.372 -16.590 1.290) 16.808 10.324 ( -0.512 11.275 -0.352) 11.292 11.137 ( -2.665 -1.314 5.217) 6.004 12.001 ( 1.340 0.581 -4.008) 4.266 12.801 ( 0.357 -15.355 0.865) 15.383 13.001 ( -0.527 -8.636 -1.127) 8.725 13.338 ( 0.369 7.443 1.154) 7.541 13.488 ( -0.544 3.212 -0.470) 3.291 14.638 ( -1.377 5.236 -0.412) 5.430 15.118 ( 3.012 -5.253 -0.514) 6.077 15.736 ( 0.992 -1.184 -0.754) 1.718 16.082 ( -1.082 -0.293 1.098) 1.569 18.206 ( 0.935 1.786 -0.222) 2.028 19.002 ( -1.825 3.788 0.231) 4.211 ======================= Grid point 375 (163/481) ======================= q-point: (-0.12 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -0.952 1.040 0.732) 1.589 3.183 ( 0.317 -1.653 -1.147) 2.037 3.288 ( -2.456 2.896 3.439) 5.123 3.995 ( 3.982 1.967 -6.041) 7.498 4.264 ( -3.330 1.774 -0.189) 3.778 4.386 ( -0.315 1.406 -2.190) 2.621 4.605 ( 4.065 2.864 5.175) 7.177 4.834 ( -5.361 -4.548 -0.568) 7.053 5.020 ( 1.159 -2.899 1.540) 3.482 5.421 ( 5.712 4.925 0.335) 7.550 5.565 ( 0.381 -6.361 -2.570) 6.871 6.094 ( -1.253 -0.988 0.380) 1.640 6.221 ( 0.354 4.280 0.292) 4.304 6.415 ( -2.107 -0.842 -0.219) 2.280 8.412 ( -4.697 3.598 0.711) 5.960 8.978 ( 8.139 -2.554 -0.406) 8.540 9.936 ( -5.103 -0.963 -0.815) 5.257 10.096 ( 2.323 4.137 -0.426) 4.764 11.163 ( -2.992 -1.116 5.530) 6.386 11.976 ( 1.890 1.346 -3.946) 4.578 12.994 ( 0.114 -2.206 0.108) 2.211 13.085 ( -0.053 1.946 -0.364) 1.981 13.268 ( 0.717 -1.665 1.987) 2.690 13.438 ( -3.285 -1.817 -1.128) 3.920 14.513 ( 3.914 8.541 -0.220) 9.398 15.248 ( -1.290 -7.887 -0.468) 8.006 15.769 ( -0.204 -2.045 -0.331) 2.082 16.078 ( -0.458 0.725 1.010) 1.325 18.186 ( 1.588 0.812 -0.138) 1.789 18.931 ( -1.092 2.574 -0.258) 2.808 ======================= Grid point 376 (164/481) ======================= q-point: (-0.06 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -0.107 2.289 0.797) 2.426 3.170 ( 1.567 5.320 3.776) 6.710 3.247 ( -1.952 -0.557 -0.130) 2.034 3.958 ( 6.060 2.932 -6.253) 9.188 4.187 ( -0.779 5.520 0.853) 5.639 4.269 ( -1.348 8.507 -4.392) 9.668 4.554 ( 2.562 5.579 3.342) 6.990 4.861 ( -4.129 -1.322 -0.826) 4.413 5.047 ( -1.723 1.532 1.714) 2.873 5.351 ( 5.972 6.225 1.424) 8.744 5.589 ( -1.865 3.043 -0.691) 3.635 6.085 ( -2.491 1.806 0.060) 3.077 6.224 ( 4.248 -4.055 1.035) 5.963 6.396 ( -2.527 0.561 -2.050) 3.302 8.326 ( -1.162 3.503 0.418) 3.714 9.080 ( 5.341 -4.016 -1.174) 6.785 9.636 ( -3.651 19.103 -2.648) 19.628 10.231 ( 1.979 -6.735 -0.455) 7.034 11.180 ( -3.625 -0.863 5.710) 6.818 11.956 ( 2.568 0.475 -3.919) 4.709 12.853 ( -1.766 15.294 -0.316) 15.399 12.974 ( 1.059 6.504 0.733) 6.630 13.360 ( 0.402 -3.087 1.421) 3.422 13.539 ( -4.367 -10.272 -1.045) 11.211 14.391 ( 7.912 6.975 -0.095) 10.547 15.374 ( -4.901 -7.186 -0.949) 8.750 15.801 ( -1.343 -1.873 -0.642) 2.392 16.059 ( -0.263 1.470 2.418) 2.842 18.195 ( 2.093 -0.485 -0.015) 2.149 18.897 ( 0.796 0.721 -1.118) 1.550 ======================= Grid point 384 (165/481) ======================= q-point: ( 0.44 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 0.191 0.000 -3.022) 3.028 2.329 ( 19.638 0.000 2.981) 19.863 2.471 ( 15.715 0.000 3.821) 16.172 2.711 ( -11.685 -0.000 -3.296) 12.141 2.813 ( -18.778 -0.000 1.186) 18.816 2.992 ( 0.656 0.000 1.360) 1.510 3.331 ( 8.065 0.000 2.377) 8.408 3.476 ( -6.817 -0.000 -0.631) 6.847 4.387 ( 7.856 0.000 -3.693) 8.681 4.912 ( 7.147 0.000 2.843) 7.692 4.953 ( -1.127 -0.000 -6.979) 7.070 5.499 ( -9.740 -0.000 2.230) 9.992 6.464 ( 2.053 0.000 5.191) 5.582 6.485 ( -2.574 -0.000 0.079) 2.575 7.978 ( -0.039 -0.000 -0.071) 0.081 8.777 ( 0.079 0.000 -0.301) 0.312 9.120 ( 1.629 0.000 -18.127) 18.200 9.501 ( -2.189 -0.000 2.485) 3.312 11.091 ( -7.343 -0.000 -4.216) 8.467 11.385 ( -2.657 -0.000 16.022) 16.241 12.048 ( 14.802 0.000 -9.093) 17.372 12.642 ( -11.081 -0.000 5.138) 12.215 12.922 ( -0.263 -0.000 0.452) 0.523 13.106 ( 0.444 0.000 -0.280) 0.525 14.889 ( 1.713 0.000 -8.413) 8.585 15.804 ( -1.143 -0.000 -3.321) 3.512 16.438 ( -0.093 -0.000 -0.027) 0.097 16.783 ( -1.983 -0.000 4.522) 4.938 17.809 ( 8.405 0.000 3.696) 9.182 17.952 ( 0.074 0.000 -0.004) 0.074 ======================= Grid point 385 (166/481) ======================= q-point: (-0.50 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 1.660 -13.553 -2.032) 13.805 2.474 ( 17.144 -2.389 1.922) 17.416 2.684 ( -0.791 -8.064 -0.241) 8.107 2.718 ( -2.784 -9.263 2.709) 10.045 2.804 ( -11.197 -12.638 1.627) 16.963 3.105 ( 0.163 -10.694 0.765) 10.723 3.394 ( -2.988 -4.962 -1.310) 5.938 3.485 ( 2.076 -2.447 2.917) 4.336 4.369 ( -1.005 1.304 -9.909) 10.045 4.863 ( -2.309 4.472 -11.086) 12.175 4.983 ( 7.798 -0.100 10.156) 12.805 5.486 ( -2.585 -1.388 4.267) 5.179 6.463 ( 1.535 3.001 6.078) 6.950 6.612 ( -1.529 -14.005 0.088) 14.088 7.950 ( 0.528 3.032 -0.050) 3.078 8.892 ( -0.080 -11.274 -1.239) 11.342 9.036 ( 0.490 2.833 -19.564) 19.774 9.467 ( -1.922 1.884 1.989) 3.347 11.081 ( -4.557 -4.207 -3.594) 7.168 11.424 ( -2.224 -0.553 14.890) 15.065 12.042 ( 15.107 6.246 -8.053) 18.223 12.473 ( -11.593 8.929 6.701) 16.094 13.145 ( -0.056 -18.970 -0.504) 18.976 13.215 ( 0.417 -10.569 -0.046) 10.577 14.850 ( 1.984 2.005 -9.226) 9.648 15.470 ( 0.353 25.908 -2.239) 26.007 16.441 ( -3.065 1.597 0.919) 3.576 17.069 ( 0.137 -24.047 2.476) 24.174 17.411 ( 2.305 27.291 2.424) 27.496 18.340 ( 2.888 -20.617 2.022) 20.917 ======================= Grid point 386 (167/481) ======================= q-point: (-0.44 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -1.558 -6.964 1.287) 7.251 2.615 ( -2.125 -15.403 -1.575) 15.628 2.779 ( 3.709 -7.883 0.981) 8.767 3.051 ( -0.022 -18.251 2.441) 18.414 3.099 ( 5.451 -16.060 5.662) 17.880 3.347 ( -2.638 -13.987 -1.161) 14.281 3.517 ( -7.433 -13.274 -2.044) 15.351 3.614 ( 2.794 -9.735 2.375) 10.402 4.295 ( -4.528 -0.326 -11.342) 12.217 4.717 ( -1.942 5.055 -11.238) 12.475 5.065 ( 5.483 -0.451 11.344) 12.608 5.545 ( 2.848 -2.999 5.121) 6.583 6.410 ( -0.157 4.931 6.098) 7.844 6.951 ( -0.223 -20.777 0.004) 20.779 7.877 ( 1.010 4.568 -0.516) 4.707 8.896 ( -2.301 3.547 -19.830) 20.276 9.084 ( -0.072 -5.629 -3.969) 6.888 9.517 ( 0.122 -9.751 5.999) 11.449 11.174 ( -2.916 -8.835 -3.104) 9.808 11.500 ( -0.459 -4.445 11.657) 12.484 11.952 ( 11.406 9.257 -4.432) 15.343 12.273 ( -8.918 7.544 5.871) 13.073 13.442 ( 0.277 -11.900 0.504) 11.914 13.549 ( -0.229 -22.801 -0.659) 22.811 14.792 ( 3.120 1.715 -9.973) 10.589 14.981 ( -0.075 24.085 -1.730) 24.148 16.366 ( -2.954 4.437 1.121) 5.447 16.906 ( -0.310 27.054 1.911) 27.124 17.536 ( 1.543 -22.303 1.843) 22.432 18.700 ( 1.819 -15.374 2.449) 15.674 ======================= Grid point 387 (168/481) ======================= q-point: (-0.38 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -9.408 -5.496 2.789) 11.247 2.916 ( 1.223 -8.152 -0.041) 8.243 2.996 ( 3.355 -16.163 -0.365) 16.512 3.334 ( 1.421 -8.856 3.197) 9.522 3.453 ( 5.412 -16.374 3.673) 17.632 3.579 ( -3.298 -16.300 -1.560) 16.703 3.759 ( -6.969 -14.565 -0.069) 16.147 3.918 ( -2.285 -20.856 -0.193) 20.981 4.320 ( 0.415 -8.727 -8.593) 12.254 4.595 ( 0.671 3.492 -10.615) 11.195 5.142 ( 1.826 -1.764 11.195) 11.479 5.656 ( 4.483 -4.494 4.298) 7.666 6.331 ( -0.533 5.153 6.224) 8.098 7.256 ( -2.224 -7.502 -2.332) 8.165 7.870 ( 2.384 -7.213 0.015) 7.597 8.767 ( -5.030 0.980 -15.333) 16.167 9.083 ( 2.111 1.984 -4.677) 5.501 9.840 ( 0.418 -18.806 7.109) 20.109 11.310 ( -3.119 -6.063 0.032) 6.818 11.695 ( 2.139 -13.187 6.500) 14.857 11.822 ( 1.923 6.123 0.285) 6.424 12.148 ( -0.154 4.135 1.223) 4.315 13.598 ( -2.325 -4.165 0.770) 4.832 13.940 ( 0.236 -16.663 0.065) 16.665 14.593 ( 0.775 14.747 -1.849) 14.882 14.791 ( 3.998 -2.680 -9.423) 10.581 16.260 ( -2.806 5.312 1.239) 6.134 16.430 ( -0.313 23.472 1.461) 23.520 17.903 ( 1.293 -15.177 1.273) 15.285 18.948 ( 0.602 -9.543 2.432) 9.866 ======================= Grid point 388 (169/481) ======================= q-point: (-0.31 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -8.210 -6.376 3.411) 10.940 2.999 ( -0.962 -2.398 -1.576) 3.026 3.242 ( -1.896 -6.770 2.055) 7.324 3.519 ( 1.654 -12.911 -0.844) 13.044 3.750 ( -2.313 -12.441 0.090) 12.654 3.911 ( -0.180 -18.338 0.389) 18.343 4.011 ( -1.759 -17.120 1.883) 17.312 4.262 ( -0.409 -14.210 -0.977) 14.249 4.538 ( -0.187 -2.201 -8.851) 9.122 4.555 ( 6.854 -14.001 -3.661) 16.013 5.237 ( -0.153 -4.298 10.078) 10.957 5.778 ( 2.518 -5.046 1.438) 5.820 6.271 ( 0.860 3.208 7.308) 8.027 7.154 ( -3.911 10.922 -5.800) 12.970 8.166 ( 1.284 -17.628 0.947) 17.700 8.719 ( -5.825 -3.868 -7.919) 10.564 9.066 ( 4.648 -0.620 -4.125) 6.245 10.191 ( -0.525 -15.154 6.197) 16.380 11.302 ( -3.145 5.188 5.054) 7.896 11.829 ( -1.457 -6.842 -1.827) 7.230 12.021 ( 1.834 -13.630 2.427) 13.965 12.147 ( 4.215 -6.747 -0.120) 7.956 13.580 ( -4.745 2.984 -0.133) 5.607 14.024 ( 2.920 8.892 0.338) 9.365 14.536 ( -2.843 -8.562 -0.395) 9.030 14.871 ( 6.779 -4.834 -7.994) 11.542 16.055 ( 0.475 16.381 0.988) 16.418 16.156 ( -2.539 4.494 1.398) 5.348 18.126 ( 0.872 -7.872 0.641) 7.946 19.080 ( -0.764 -3.941 1.952) 4.464 ======================= Grid point 389 (170/481) ======================= q-point: (-0.25 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -5.797 -3.340 3.163) 7.400 3.019 ( -3.956 -3.092 -3.515) 6.129 3.306 ( -2.363 -2.082 2.819) 4.227 3.786 ( 3.636 -12.333 -0.062) 12.858 3.933 ( -6.455 -11.283 -1.447) 13.080 4.185 ( -3.785 -9.832 2.078) 10.738 4.368 ( 3.281 -16.045 -1.196) 16.421 4.414 ( 7.095 -7.503 -4.722) 11.355 4.621 ( -3.637 -6.910 1.414) 7.935 4.865 ( 7.322 -14.949 -3.181) 16.947 5.363 ( -0.461 -5.736 7.469) 9.429 5.877 ( -0.311 -4.930 -1.342) 5.119 6.279 ( 2.574 -0.070 8.050) 8.452 6.864 ( -4.386 14.073 -6.355) 16.052 8.401 ( -4.469 -7.366 -0.580) 8.635 8.808 ( 1.663 -7.728 -1.352) 8.019 9.159 ( 2.437 -8.487 -1.978) 9.049 10.414 ( -1.634 -7.063 4.412) 8.487 11.191 ( -2.505 5.338 5.638) 8.158 11.947 ( 0.926 -4.702 -5.158) 7.041 12.199 ( 0.449 -11.641 3.036) 12.039 12.485 ( 2.315 -19.253 -0.385) 19.395 13.483 ( -4.470 3.158 -0.876) 5.543 13.818 ( 3.563 12.957 0.555) 13.449 14.659 ( -6.174 -4.725 -0.156) 7.776 14.984 ( 8.761 -4.637 -4.856) 11.038 15.834 ( 2.441 8.335 -0.308) 8.691 16.087 ( -2.802 1.772 2.079) 3.913 18.224 ( 0.570 -2.326 0.135) 2.398 19.106 ( -2.118 0.556 1.232) 2.513 ======================= Grid point 390 (171/481) ======================= q-point: (-0.19 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -3.747 -0.493 1.913) 4.236 3.062 ( -2.678 -4.507 -2.576) 5.841 3.326 ( -2.650 -0.625 2.837) 3.932 3.982 ( 4.570 -5.340 -2.351) 7.412 4.095 ( -6.368 -10.493 -1.626) 12.382 4.266 ( -3.785 -3.804 -0.200) 5.370 4.543 ( 5.758 -6.696 -0.199) 8.833 4.674 ( -1.143 -4.302 3.139) 5.447 4.750 ( 1.671 -12.998 -0.917) 13.137 5.160 ( 6.285 -12.997 -2.329) 14.623 5.468 ( 0.080 -2.971 3.759) 4.792 5.962 ( -1.198 -5.229 -1.424) 5.550 6.337 ( 2.364 -1.426 6.074) 6.672 6.568 ( -4.301 12.247 -4.465) 13.727 8.439 ( -7.375 -1.997 -0.004) 7.640 8.945 ( 9.343 -2.644 -0.181) 9.712 9.386 ( -2.668 -15.318 0.794) 15.569 10.456 ( -1.793 2.746 2.031) 3.858 11.134 ( -2.116 1.257 5.021) 5.592 11.986 ( 1.176 -1.294 -4.520) 4.846 12.492 ( 0.084 -17.177 1.893) 17.281 12.797 ( 0.679 -12.942 -0.995) 12.998 13.421 ( -2.743 1.446 -0.728) 3.186 13.617 ( 3.245 10.337 0.805) 10.865 14.650 ( -6.910 0.001 -0.589) 6.935 15.092 ( 8.446 -2.304 -1.903) 8.959 15.751 ( 2.704 2.457 -1.052) 3.802 16.069 ( -2.184 -0.411 2.036) 3.014 18.237 ( 0.577 0.799 -0.122) 0.993 19.057 ( -2.915 3.120 0.581) 4.309 ======================= Grid point 391 (172/481) ======================= q-point: (-0.12 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -1.810 0.162 1.295) 2.232 3.126 ( -0.588 -3.765 -1.363) 4.047 3.318 ( -2.901 0.794 2.883) 4.166 4.025 ( 4.025 0.670 -5.515) 6.861 4.207 ( -5.855 -5.087 -1.844) 7.972 4.340 ( -0.853 -4.714 0.678) 4.838 4.678 ( 6.448 -2.146 3.380) 7.590 4.707 ( -5.888 -3.311 2.018) 7.050 4.963 ( 3.315 -6.373 0.555) 7.205 5.397 ( 2.642 -10.237 -3.130) 11.026 5.499 ( 2.463 0.640 0.393) 2.575 6.041 ( -1.114 -3.895 -0.461) 4.077 6.327 ( -0.952 7.097 -1.594) 7.336 6.400 ( -1.361 0.151 3.067) 3.359 8.416 ( -6.243 0.171 0.513) 6.267 9.014 ( 9.114 0.394 0.060) 9.122 9.679 ( -3.176 -16.586 1.047) 16.920 10.313 ( -1.117 11.311 0.021) 11.366 11.141 ( -2.568 -1.142 4.977) 5.715 11.988 ( 1.134 0.205 -3.983) 4.146 12.813 ( 0.698 -15.141 0.739) 15.175 12.987 ( -0.673 -8.349 -1.013) 8.437 13.350 ( 0.305 5.474 0.848) 5.548 13.482 ( 0.064 5.977 -0.126) 5.979 14.607 ( -3.494 1.128 -0.503) 3.706 15.161 ( 5.038 -1.856 -0.701) 5.415 15.746 ( 1.557 -0.418 -0.597) 1.719 16.077 ( -1.210 -0.621 1.287) 1.872 18.216 ( 0.866 1.453 -0.154) 1.699 18.977 ( -2.561 3.339 0.101) 4.210 ======================= Grid point 392 (173/481) ======================= q-point: (-0.06 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -0.531 0.684 1.101) 1.401 3.182 ( 0.706 -2.401 -0.875) 2.651 3.283 ( -2.363 2.374 3.671) 4.969 4.005 ( 4.970 1.536 -6.696) 8.479 4.222 ( -3.636 -0.364 -0.334) 3.669 4.370 ( -0.015 2.315 -1.504) 2.761 4.680 ( 2.490 4.019 5.369) 7.154 4.778 ( -3.488 -4.135 -0.514) 5.434 5.042 ( 0.631 -1.452 1.997) 2.548 5.475 ( 3.026 2.507 -0.928) 4.038 5.552 ( 1.023 -4.577 -2.531) 5.329 6.081 ( -1.233 -1.036 0.179) 1.620 6.227 ( 0.540 2.024 0.098) 2.097 6.395 ( -1.466 1.003 0.517) 1.850 8.370 ( -2.957 1.868 0.346) 3.514 9.058 ( 5.512 -0.982 -0.324) 5.608 9.877 ( -3.367 1.980 -1.429) 4.159 10.118 ( 1.415 1.148 0.478) 1.884 11.163 ( -3.227 -0.971 5.202) 6.198 11.972 ( 2.027 0.822 -3.947) 4.512 12.995 ( 0.037 -1.184 0.078) 1.187 13.082 ( -0.010 0.404 -0.390) 0.562 13.287 ( 0.117 -0.985 1.726) 1.991 13.399 ( -1.890 -0.365 -0.746) 2.064 14.551 ( 2.713 4.680 -0.398) 5.424 15.231 ( -0.956 -4.576 -0.513) 4.703 15.766 ( 0.007 -1.106 -0.113) 1.111 16.080 ( -0.432 0.255 1.068) 1.180 18.203 ( 1.221 0.374 -0.060) 1.279 18.917 ( -0.832 1.693 -0.379) 1.924 ======================= Grid point 401 (174/481) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.466 0.000 -2.561) 2.603 2.546 ( -12.106 -0.000 -2.990) 12.469 2.550 ( -2.561 -0.000 1.415) 2.926 2.646 ( 3.914 0.000 6.348) 7.457 2.651 ( 11.213 0.000 2.189) 11.425 3.002 ( -0.297 -0.000 1.306) 1.340 3.310 ( -7.431 -0.000 -2.896) 7.975 3.506 ( 6.278 0.000 4.086) 7.490 4.322 ( -7.355 -0.000 -12.012) 14.085 4.840 ( -6.694 -0.000 -12.528) 14.204 5.069 ( 8.973 0.000 10.049) 13.472 5.501 ( 5.101 0.000 6.896) 8.578 6.471 ( 0.032 0.000 0.137) 0.141 6.520 ( 0.296 0.000 7.319) 7.325 7.985 ( 0.931 0.000 0.651) 1.136 8.775 ( 0.075 0.000 -0.372) 0.379 8.998 ( 0.933 0.000 -22.861) 22.880 9.468 ( -3.846 -0.000 -1.673) 4.194 11.016 ( -1.821 -0.000 -2.300) 2.933 11.459 ( -2.752 -0.000 15.395) 15.640 12.169 ( 15.432 0.000 -7.380) 17.106 12.547 ( -11.040 -0.000 5.313) 12.252 12.923 ( -0.175 -0.000 0.515) 0.544 13.107 ( 0.120 0.000 -0.313) 0.335 14.853 ( 2.649 0.000 -10.011) 10.356 15.780 ( 0.695 0.000 -3.301) 3.373 16.437 ( -0.007 -0.000 -0.045) 0.045 16.790 ( -2.148 -0.000 4.485) 4.973 17.901 ( 2.142 0.000 5.901) 6.278 17.952 ( 0.022 0.000 0.013) 0.025 ======================= Grid point 402 (175/481) ======================= q-point: (-0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -2.184 -13.783 -2.726) 14.219 2.446 ( -19.018 -1.399 0.077) 19.069 2.681 ( -5.887 -16.332 2.666) 17.565 2.783 ( 17.191 -4.880 4.348) 18.392 2.841 ( 7.760 -11.663 2.281) 14.193 3.106 ( -0.341 -9.724 1.145) 9.797 3.298 ( -7.383 -4.812 -2.753) 9.233 3.565 ( 4.947 -1.332 3.152) 6.015 4.216 ( -11.637 0.390 -11.773) 16.558 4.728 ( -5.779 2.615 -13.204) 14.649 5.141 ( 6.798 0.811 9.298) 11.547 5.574 ( 9.239 -0.314 8.172) 12.338 6.502 ( -2.272 2.648 6.972) 7.796 6.622 ( 2.596 -13.200 0.791) 13.476 7.963 ( 1.438 3.233 0.651) 3.598 8.856 ( -0.965 -2.971 -13.878) 14.225 8.917 ( 0.485 -4.119 -11.458) 12.185 9.437 ( -3.433 -0.900 -1.419) 3.822 11.039 ( 0.048 -3.689 -1.426) 3.955 11.493 ( -1.928 -0.508 12.820) 12.974 12.173 ( 15.817 6.670 -6.764) 18.450 12.387 ( -11.508 8.421 8.237) 16.468 13.138 ( -0.403 -18.866 -0.685) 18.883 13.217 ( -0.073 -10.714 0.088) 10.715 14.815 ( 3.462 1.956 -10.813) 11.521 15.462 ( 0.865 25.773 -2.578) 25.916 16.421 ( -1.353 2.311 0.385) 2.706 17.075 ( -2.010 -22.136 2.504) 22.367 17.450 ( 1.222 25.490 3.707) 25.787 18.375 ( 0.051 -20.920 3.536) 21.217 ======================= Grid point 403 (176/481) ======================= q-point: (-0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -18.820 -5.719 2.088) 19.781 2.554 ( -4.632 -20.775 -3.632) 21.593 2.932 ( 11.399 -4.533 6.051) 13.678 3.086 ( 3.432 -17.109 2.805) 17.674 3.188 ( 1.030 -21.283 1.836) 21.387 3.301 ( -1.085 -10.124 0.893) 10.221 3.425 ( -4.290 -14.403 -2.210) 15.190 3.645 ( 0.834 -5.615 1.186) 5.799 4.145 ( -8.776 -4.738 -9.636) 13.868 4.612 ( -1.796 2.409 -13.061) 13.402 5.182 ( 3.122 0.842 9.048) 9.608 5.667 ( 9.265 -0.861 7.461) 11.927 6.439 ( -2.296 4.673 7.432) 9.074 6.958 ( 1.353 -18.991 -0.243) 19.041 7.894 ( 2.366 4.621 -0.310) 5.201 8.721 ( -3.515 3.269 -22.339) 22.849 9.053 ( -0.244 -4.892 -4.754) 6.826 9.542 ( -1.533 -13.241 3.985) 13.912 11.143 ( -0.171 -7.571 -0.886) 7.625 11.566 ( 0.301 -4.814 8.436) 9.717 12.038 ( 4.109 12.440 0.653) 13.117 12.244 ( -0.227 4.930 3.655) 6.141 13.438 ( -1.984 -11.110 0.977) 11.328 13.538 ( -0.752 -23.247 -0.623) 23.267 14.771 ( 5.558 0.895 -11.290) 12.616 14.972 ( 0.783 24.245 -2.450) 24.381 16.346 ( -1.602 4.694 0.559) 4.991 16.896 ( -3.494 25.631 2.038) 25.948 17.578 ( 2.986 -20.727 2.816) 21.130 18.727 ( -0.660 -15.351 3.849) 15.840 ======================= Grid point 404 (177/481) ======================= q-point: (-0.31 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -16.853 -9.476 2.550) 19.502 2.877 ( -7.351 -13.549 -2.771) 15.661 3.079 ( 6.492 -6.674 4.725) 10.441 3.306 ( -5.648 -9.365 -4.107) 11.682 3.542 ( 4.363 -11.713 5.019) 13.469 3.585 ( 3.590 -18.586 3.020) 19.169 3.708 ( 0.075 -13.880 0.685) 13.897 3.874 ( -4.540 -21.805 -0.120) 22.273 4.264 ( -0.749 -13.293 -8.204) 15.639 4.541 ( 1.847 0.447 -10.878) 11.043 5.219 ( 0.134 -0.955 9.304) 9.354 5.753 ( 6.180 -1.294 4.370) 7.678 6.369 ( -0.631 4.187 8.203) 9.232 7.202 ( -3.430 -3.875 -4.100) 6.602 7.914 ( 4.791 -8.162 0.447) 9.475 8.599 ( -5.861 -0.682 -15.755) 16.824 9.070 ( 1.630 -0.274 -5.588) 5.827 9.880 ( -1.536 -19.136 6.329) 20.214 11.280 ( -2.808 -6.297 1.396) 7.035 11.744 ( 0.471 -9.760 1.841) 9.943 11.849 ( 0.282 5.385 5.970) 8.045 12.191 ( 6.646 3.683 -0.330) 7.606 13.554 ( -6.252 -2.944 1.097) 6.997 13.946 ( 0.516 -18.352 0.395) 18.364 14.575 ( -1.686 15.199 -1.047) 15.328 14.808 ( 10.633 -3.142 -11.902) 16.266 16.238 ( -2.449 5.694 1.258) 6.324 16.430 ( -1.459 22.315 1.595) 22.420 17.931 ( 1.918 -14.224 1.640) 14.446 18.962 ( -1.409 -9.124 3.342) 9.818 ======================= Grid point 405 (178/481) ======================= q-point: (-0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -12.772 -10.252 3.332) 16.714 2.923 ( -9.816 -2.542 -4.724) 11.187 3.250 ( 0.558 -4.493 4.065) 6.085 3.524 ( 1.278 -16.572 -1.846) 16.723 3.717 ( -3.915 -7.710 2.339) 8.957 3.939 ( 0.785 -15.617 2.344) 15.812 4.041 ( 6.014 -18.748 0.690) 19.701 4.243 ( -2.157 -15.933 0.404) 16.083 4.459 ( 2.494 -7.636 -11.823) 14.293 4.628 ( 4.391 -12.680 -1.456) 13.498 5.290 ( -1.365 -3.826 8.832) 9.722 5.813 ( 2.177 -1.885 0.296) 2.895 6.343 ( 1.948 2.092 9.363) 9.789 7.053 ( -5.704 11.110 -7.785) 14.716 8.195 ( 2.111 -13.722 1.377) 13.952 8.602 ( -4.988 -8.565 -7.587) 12.483 9.088 ( 4.022 -2.178 -4.434) 6.371 10.213 ( -2.712 -14.622 5.915) 16.004 11.294 ( -4.367 3.723 5.686) 8.079 11.799 ( -1.187 -6.468 -2.308) 6.969 12.062 ( 2.457 -11.290 2.441) 11.810 12.214 ( 7.259 -5.955 -0.166) 9.390 13.507 ( -7.530 2.598 0.177) 7.967 14.068 ( 4.135 8.629 0.226) 9.571 14.483 ( -5.627 -7.951 0.219) 9.743 14.922 ( 11.644 -5.324 -9.618) 16.013 16.065 ( -0.590 14.405 2.463) 14.626 16.140 ( -1.519 5.475 0.638) 5.718 18.142 ( 0.984 -7.202 0.758) 7.309 19.075 ( -2.501 -3.291 2.223) 4.693 ======================= Grid point 406 (179/481) ======================= q-point: (-0.19 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -8.345 -5.857 3.309) 10.719 2.924 ( -7.550 -5.642 -4.395) 10.400 3.308 ( -0.596 -1.158 2.818) 3.104 3.829 ( 2.762 -13.183 -0.738) 13.490 3.857 ( -5.101 -10.076 0.880) 11.328 4.148 ( -3.110 -6.973 -0.802) 7.677 4.406 ( 2.717 -11.107 -0.861) 11.467 4.455 ( 4.780 -14.934 -2.135) 15.825 4.602 ( 1.600 -7.628 -0.890) 7.845 4.932 ( 5.179 -15.000 -0.809) 15.889 5.397 ( -1.674 -5.228 6.405) 8.435 5.866 ( 0.354 -3.609 -1.624) 3.974 6.368 ( 2.945 0.321 8.834) 9.317 6.756 ( -6.033 12.995 -7.629) 16.232 8.344 ( -4.919 -4.231 -0.206) 6.492 8.825 ( 2.871 -14.560 -1.248) 14.893 9.174 ( 2.349 -6.147 -2.019) 6.883 10.413 ( -3.682 -6.595 4.287) 8.686 11.199 ( -2.701 4.780 5.699) 7.913 11.925 ( 1.438 -5.422 -5.387) 7.777 12.224 ( 0.542 -10.481 2.758) 10.851 12.519 ( 3.718 -17.013 -0.149) 17.415 13.418 ( -5.609 1.728 -0.576) 5.897 13.866 ( 4.064 12.967 0.459) 13.597 14.576 ( -7.434 -3.699 -0.373) 8.311 15.067 ( 11.122 -5.339 -5.513) 13.513 15.865 ( 3.061 8.145 -0.033) 8.701 16.069 ( -3.040 1.546 2.733) 4.370 18.231 ( 0.354 -2.066 0.208) 2.106 19.081 ( -3.496 0.997 1.066) 3.789 ======================= Grid point 407 (180/481) ======================= q-point: (-0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -4.257 -2.087 2.148) 5.205 3.010 ( -3.635 -7.198 -1.879) 8.280 3.317 ( -1.702 0.103 2.191) 2.776 3.992 ( -3.043 -7.534 -3.877) 9.002 4.036 ( 1.359 -6.269 -1.576) 6.606 4.228 ( -2.673 -5.933 0.617) 6.536 4.551 ( -2.445 -7.119 -0.426) 7.539 4.717 ( 4.349 -2.739 3.711) 6.339 4.789 ( 4.562 -14.291 -0.604) 15.014 5.209 ( 3.986 -11.605 -1.675) 12.384 5.484 ( -0.991 -2.987 2.677) 4.132 5.947 ( 0.414 -5.051 -1.241) 5.217 6.408 ( 2.412 0.164 6.493) 6.929 6.476 ( -5.586 10.363 -5.248) 12.889 8.362 ( -6.104 -1.908 0.214) 6.399 9.052 ( 9.307 -4.108 -0.338) 10.179 9.353 ( -3.675 -14.699 0.518) 15.161 10.441 ( -3.219 2.664 2.021) 4.642 11.143 ( -1.880 1.528 4.852) 5.424 11.970 ( 1.318 -1.264 -4.587) 4.938 12.507 ( 0.365 -17.063 1.649) 17.147 12.802 ( 1.091 -11.412 -0.715) 11.487 13.385 ( -2.756 -0.375 -0.529) 2.831 13.662 ( 3.555 11.263 0.723) 11.833 14.559 ( -8.036 -0.971 -0.699) 8.124 15.185 ( 9.720 -1.570 -2.356) 10.124 15.780 ( 3.389 3.154 -1.009) 4.738 16.057 ( -2.544 -0.730 2.764) 3.827 18.241 ( 0.095 0.684 -0.028) 0.691 19.021 ( -3.618 2.990 0.272) 4.702 ======================= Grid point 408 (181/481) ======================= q-point: (-0.06 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -1.552 -0.707 1.717) 2.420 3.114 ( -0.530 -5.195 -0.530) 5.249 3.304 ( -2.315 0.731 2.378) 3.398 4.033 ( 4.328 0.542 -6.509) 7.835 4.128 ( -5.538 -6.031 -1.944) 8.415 4.341 ( -0.117 -4.824 1.407) 5.026 4.647 ( -4.665 -5.320 0.435) 7.089 4.780 ( 4.995 0.460 5.099) 7.153 5.004 ( 2.739 -5.714 1.222) 6.453 5.384 ( -1.037 -7.154 -3.494) 8.029 5.533 ( 3.051 -1.877 -0.332) 3.597 6.032 ( 0.352 -3.610 -0.490) 3.660 6.287 ( -3.719 5.328 -1.850) 6.756 6.423 ( 1.240 1.380 3.463) 3.929 8.358 ( -4.197 -0.879 0.299) 4.299 9.101 ( 5.503 1.741 -0.030) 5.772 9.654 ( -1.718 -17.006 0.492) 17.100 10.298 ( -1.683 10.662 0.406) 10.802 11.143 ( -2.521 -0.736 4.732) 5.412 11.975 ( 1.283 -0.180 -3.950) 4.157 12.827 ( 1.076 -14.940 0.496) 14.987 12.973 ( -0.737 -7.822 -0.745) 7.892 13.354 ( -0.430 3.426 0.470) 3.485 13.492 ( 1.725 8.708 0.311) 8.882 14.550 ( -5.678 -2.633 -0.580) 6.285 15.223 ( 6.420 1.421 -0.955) 6.644 15.764 ( 2.035 0.466 -0.444) 2.134 16.071 ( -1.443 -0.960 1.647) 2.391 18.221 ( 0.071 1.083 -0.053) 1.087 18.947 ( -2.366 2.549 -0.159) 3.481 ======================= Grid point 418 (182/481) ======================= q-point: (-0.44 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -6.125 -0.000 -4.705) 7.723 2.350 ( -22.487 -0.000 3.091) 22.698 2.420 ( -6.419 -0.000 0.922) 6.485 2.749 ( 4.292 0.000 -0.964) 4.399 2.914 ( 21.381 0.000 7.518) 22.664 3.017 ( 1.657 0.000 1.983) 2.584 3.210 ( -5.554 -0.000 -1.893) 5.868 3.596 ( 4.739 0.000 2.114) 5.189 4.090 ( -19.336 -0.000 -10.108) 21.818 4.670 ( -5.202 -0.000 -14.453) 15.361 5.221 ( 7.233 0.000 7.279) 10.261 5.670 ( 12.182 0.000 9.535) 15.470 6.488 ( 2.615 0.000 0.164) 2.620 6.566 ( -1.594 -0.000 8.600) 8.746 8.008 ( 1.761 0.000 1.641) 2.407 8.774 ( 0.077 0.000 -0.412) 0.419 8.840 ( 0.764 0.000 -27.435) 27.445 9.394 ( -4.933 -0.000 -4.936) 6.979 11.013 ( 2.294 0.000 0.029) 2.294 11.522 ( -2.158 -0.000 12.027) 12.219 12.305 ( 14.052 0.000 -3.703) 14.531 12.463 ( -8.998 -0.000 5.265) 10.425 12.925 ( -0.092 -0.000 0.555) 0.563 13.105 ( -0.202 -0.000 -0.335) 0.392 14.819 ( 3.831 0.000 -11.580) 12.197 15.772 ( 2.080 0.000 -4.298) 4.775 16.437 ( 0.088 0.000 -0.052) 0.102 16.792 ( -2.714 -0.000 4.607) 5.347 17.944 ( -2.856 -0.000 8.814) 9.265 17.952 ( -0.038 -0.000 0.019) 0.042 ======================= Grid point 419 (183/481) ======================= q-point: (-0.38 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -9.288 -14.983 -4.065) 18.091 2.205 ( -22.835 -1.344 1.344) 22.913 2.651 ( -2.200 -21.861 4.842) 22.499 2.858 ( -1.035 -10.331 -2.901) 10.780 3.043 ( 12.523 -0.857 4.932) 13.486 3.138 ( 3.328 -8.640 3.977) 10.076 3.235 ( 2.594 -4.902 0.202) 5.549 3.622 ( 2.227 -0.500 -0.564) 2.351 3.962 ( -19.804 -2.844 -6.761) 21.119 4.586 ( -1.765 1.312 -14.815) 14.977 5.262 ( 5.370 1.925 6.505) 8.652 5.761 ( 11.246 0.970 8.725) 14.267 6.517 ( -2.655 2.050 7.138) 7.887 6.670 ( 3.758 -11.787 1.875) 12.512 7.993 ( 2.466 3.481 1.469) 4.512 8.694 ( -1.127 3.927 -26.888) 27.197 8.888 ( 0.116 -9.299 -2.646) 9.669 9.374 ( -4.367 -3.797 -3.551) 6.790 11.056 ( 2.896 -2.773 0.803) 4.089 11.548 ( -0.724 -0.611 8.425) 8.479 12.294 ( 1.221 11.932 0.958) 12.033 12.342 ( 3.356 3.016 4.442) 6.332 13.128 ( -0.619 -18.224 -0.547) 18.243 13.215 ( -0.540 -10.639 0.414) 10.661 14.789 ( 5.533 1.295 -12.434) 13.671 15.453 ( 0.965 26.006 -3.542) 26.264 16.412 ( -0.471 2.753 0.075) 2.794 17.053 ( -4.305 -16.940 1.903) 17.582 17.494 ( 1.228 19.860 5.692) 20.696 18.391 ( -2.228 -21.187 5.280) 21.948 ======================= Grid point 420 (184/481) ======================= q-point: (-0.31 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -22.518 -7.133 2.625) 23.766 2.449 ( -9.844 -22.561 -3.765) 24.901 3.012 ( -7.728 -8.447 -2.603) 11.741 3.107 ( 4.292 -9.742 6.241) 12.340 3.180 ( -1.543 -21.200 0.567) 21.264 3.387 ( 4.480 -14.855 5.078) 16.326 3.428 ( 8.296 -10.976 2.064) 13.912 3.661 ( 2.805 -2.952 -1.096) 4.217 3.969 ( -12.838 -11.082 -4.706) 17.600 4.514 ( 1.207 0.727 -14.804) 14.871 5.265 ( 2.217 2.063 7.073) 7.694 5.817 ( 7.632 1.476 5.627) 9.596 6.468 ( -1.640 3.824 8.971) 9.889 6.975 ( 1.882 -15.669 -0.449) 15.788 7.928 ( 4.007 4.340 -0.574) 5.935 8.522 ( -4.386 2.514 -23.113) 23.660 9.017 ( -0.125 -4.349 -5.359) 6.902 9.535 ( -3.320 -16.353 2.459) 16.867 11.152 ( 1.148 -5.568 1.308) 5.834 11.618 ( 1.723 -4.868 3.680) 6.341 12.051 ( -5.496 12.413 8.145) 15.831 12.320 ( 10.146 4.763 -0.665) 11.228 13.405 ( -4.925 -9.587 1.171) 10.841 13.532 ( 0.079 -23.211 0.538) 23.217 14.774 ( 8.403 0.241 -12.010) 14.660 14.963 ( 1.219 23.103 -4.141) 23.503 16.333 ( -1.297 5.089 0.549) 5.280 16.854 ( -6.080 22.898 2.111) 23.785 17.642 ( 4.421 -18.202 3.516) 19.058 18.739 ( -2.167 -15.262 5.189) 16.265 ======================= Grid point 421 (185/481) ======================= q-point: (-0.25 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -19.384 -12.825 3.262) 23.470 2.706 ( -17.185 -11.688 -5.389) 21.470 3.152 ( 0.440 -12.494 2.110) 12.678 3.241 ( -0.156 -7.471 0.108) 7.473 3.597 ( -0.001 -10.468 2.423) 10.745 3.632 ( -0.814 -14.047 3.991) 14.626 3.797 ( 11.100 -14.637 1.853) 18.463 3.845 ( 1.258 -21.275 2.439) 21.451 4.189 ( -4.601 -17.850 -5.689) 19.291 4.488 ( 2.707 -2.345 -12.659) 13.156 5.274 ( -0.602 -0.167 8.179) 8.203 5.831 ( 3.312 1.401 1.320) 3.831 6.433 ( 1.255 2.947 9.877) 10.383 7.124 ( -4.313 0.775 -5.545) 7.067 7.984 ( 6.629 -9.277 0.717) 11.424 8.429 ( -5.920 -2.809 -14.447) 15.863 9.051 ( 1.682 -2.143 -5.821) 6.427 9.886 ( -3.906 -19.756 4.999) 20.749 11.263 ( -2.690 -4.942 3.044) 6.397 11.733 ( -2.008 -2.673 -0.727) 3.421 11.914 ( 2.487 -1.530 7.878) 8.402 12.283 ( 9.476 4.525 -1.424) 10.597 13.473 ( -8.831 -1.724 1.477) 9.118 13.958 ( 0.643 -19.796 1.273) 19.847 14.549 ( -1.639 16.075 -0.705) 16.174 14.867 ( 14.183 -4.068 -14.082) 20.396 16.218 ( -3.047 6.137 2.297) 7.226 16.419 ( -2.205 20.276 1.534) 20.453 17.968 ( 2.442 -12.766 1.694) 13.108 18.963 ( -2.442 -8.400 3.785) 9.531 ======================= Grid point 422 (186/481) ======================= q-point: (-0.19 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -14.600 -13.902 4.187) 20.591 2.733 ( -15.155 -6.605 -6.138) 17.635 3.295 ( 1.972 -1.991 3.637) 4.591 3.536 ( 1.772 -18.825 -0.086) 18.909 3.675 ( -5.826 -6.309 1.424) 8.705 3.948 ( -0.313 -13.463 0.596) 13.480 4.147 ( 9.999 -16.048 1.076) 18.938 4.231 ( -0.609 -15.021 1.360) 15.094 4.437 ( 4.899 -10.013 -8.548) 14.047 4.635 ( -0.308 -16.736 -2.602) 16.940 5.325 ( -2.298 -3.201 8.039) 8.953 5.830 ( 1.390 -0.367 -1.557) 2.120 6.435 ( 2.753 1.673 9.433) 9.968 6.924 ( -6.831 11.481 -8.229) 15.690 8.225 ( 0.728 -7.581 1.626) 7.788 8.515 ( -1.400 -14.965 -6.424) 16.346 9.103 ( 3.772 -3.667 -4.389) 6.851 10.205 ( -5.001 -14.440 4.960) 16.066 11.279 ( -4.979 2.553 6.142) 8.309 11.774 ( -0.124 -6.800 -2.732) 7.330 12.110 ( 3.186 -8.199 2.080) 9.039 12.303 ( 7.956 -5.199 -0.289) 9.508 13.414 ( -8.771 1.815 0.638) 8.979 14.119 ( 4.279 8.455 0.115) 9.477 14.417 ( -6.006 -6.794 0.688) 9.094 15.003 ( 13.912 -5.770 -11.038) 18.673 16.074 ( -2.300 10.577 5.211) 12.014 16.130 ( -0.219 7.762 -0.571) 7.787 18.158 ( 0.784 -6.337 0.735) 6.428 19.054 ( -3.340 -2.425 1.883) 4.537 ======================= Grid point 423 (187/481) ======================= q-point: (-0.12 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -9.167 -8.712 3.902) 13.235 2.799 ( -8.649 -10.106 -3.840) 13.845 3.325 ( 0.676 0.248 1.777) 1.917 3.762 ( -7.600 -9.985 -1.875) 12.688 3.894 ( 4.374 -12.980 1.790) 13.814 4.110 ( -1.465 -5.611 -2.242) 6.217 4.401 ( -1.425 -7.559 -1.050) 7.763 4.515 ( 6.339 -16.661 -0.995) 17.854 4.644 ( 5.400 -8.999 -0.029) 10.495 4.965 ( 1.301 -16.528 0.023) 16.579 5.409 ( -2.987 -4.522 5.384) 7.639 5.867 ( 1.939 -3.393 -1.870) 4.332 6.453 ( 1.859 1.104 6.481) 6.832 6.633 ( -6.293 11.826 -5.925) 14.648 8.287 ( -4.700 -2.511 0.172) 5.332 8.858 ( 4.112 -18.913 -1.099) 19.386 9.187 ( 2.338 -3.954 -2.138) 5.067 10.386 ( -5.391 -6.540 3.656) 9.231 11.204 ( -2.902 3.903 5.606) 7.422 11.910 ( 2.165 -5.664 -5.414) 8.129 12.248 ( 0.664 -9.586 2.187) 9.855 12.567 ( 4.434 -14.491 0.133) 15.155 13.348 ( -6.045 -0.065 -0.182) 6.048 13.916 ( 4.081 12.893 0.363) 13.528 14.486 ( -7.591 -2.484 -0.450) 8.000 15.164 ( 12.166 -5.761 -6.314) 14.868 15.904 ( 3.642 7.960 -0.054) 8.754 16.052 ( -3.729 1.297 4.231) 5.787 18.233 ( -0.300 -1.754 0.264) 1.799 19.042 ( -3.906 1.371 0.434) 4.163 ======================= Grid point 424 (188/481) ======================= q-point: (-0.06 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -4.031 -4.054 2.505) 6.242 2.956 ( -4.099 -10.264 -0.754) 11.078 3.317 ( -0.254 0.987 1.359) 1.698 3.903 ( -6.395 -10.289 -3.659) 12.655 4.056 ( 4.154 -1.667 -4.588) 6.410 4.220 ( -0.529 -7.998 2.766) 8.480 4.514 ( -3.284 -6.329 -0.341) 7.138 4.798 ( 5.024 -3.639 3.813) 7.281 4.833 ( 3.404 -13.908 -0.769) 14.339 5.228 ( 0.909 -9.966 -0.701) 10.031 5.481 ( -1.825 -3.727 1.595) 4.446 5.958 ( 2.740 -4.761 -0.993) 5.582 6.362 ( -7.067 7.080 -5.134) 11.244 6.486 ( 2.825 2.599 5.895) 7.035 8.302 ( -4.402 -2.147 0.242) 4.904 9.151 ( 7.772 -2.715 -0.536) 8.250 9.313 ( -3.237 -15.874 0.013) 16.201 10.410 ( -4.169 2.056 1.744) 4.965 11.154 ( -1.814 1.725 4.720) 5.343 11.957 ( 1.712 -1.120 -4.549) 4.988 12.523 ( 0.690 -17.060 1.216) 17.118 12.813 ( 1.329 -9.549 -0.350) 9.647 13.351 ( -2.631 -2.289 -0.239) 3.496 13.709 ( 3.867 11.837 0.595) 12.467 14.457 ( -8.609 -1.346 -0.703) 8.742 15.283 ( 10.154 -0.978 -2.921) 10.611 15.815 ( 3.734 3.790 -1.118) 5.437 16.047 ( -3.101 -0.928 3.907) 5.074 18.237 ( -0.889 0.600 0.079) 1.075 18.980 ( -3.303 2.594 -0.272) 4.209 ======================= Grid point 435 (189/481) ======================= q-point: (-0.38 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -16.088 -0.000 -6.586) 17.384 2.092 ( -25.474 -0.000 2.652) 25.612 2.421 ( 2.104 0.000 4.723) 5.170 2.741 ( -2.251 -0.000 -3.479) 4.144 3.067 ( 3.916 0.000 2.065) 4.427 3.105 ( -0.161 -0.000 3.887) 3.890 3.266 ( 16.770 0.000 5.899) 17.777 3.579 ( -12.649 -0.000 -7.807) 14.864 3.820 ( -11.605 -0.000 1.460) 11.697 4.547 ( 0.663 0.000 -14.884) 14.898 5.337 ( 5.938 0.000 4.987) 7.755 5.864 ( 9.918 0.000 7.701) 12.556 6.532 ( 4.679 0.000 0.153) 4.681 6.603 ( -2.199 -0.000 9.997) 10.235 8.049 ( 2.804 0.000 2.889) 4.026 8.653 ( 1.048 0.000 -32.085) 32.102 8.772 ( 0.084 0.000 -0.415) 0.424 9.295 ( -5.242 -0.000 -6.376) 8.254 11.060 ( 4.134 0.000 2.046) 4.612 11.568 ( -0.548 -0.000 6.520) 6.543 12.385 ( -9.218 -0.000 12.322) 15.388 12.469 ( 14.098 0.000 -5.633) 15.182 12.928 ( -0.025 -0.000 0.565) 0.566 13.099 ( -0.476 -0.000 -0.344) 0.587 14.791 ( 5.882 0.000 -13.336) 14.576 15.766 ( 2.574 0.000 -6.173) 6.688 16.439 ( 0.178 0.000 -0.046) 0.184 16.786 ( -3.568 -0.000 4.623) 5.839 17.952 ( -0.099 -0.000 0.012) 0.100 17.960 ( -6.350 -0.000 12.965) 14.436 ======================= Grid point 436 (190/481) ======================= q-point: (-0.31 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -23.769 -5.554 -0.479) 24.414 1.959 ( -17.946 -14.594 -2.372) 23.252 2.687 ( 1.980 -21.940 5.100) 22.612 2.785 ( -6.646 -7.221 -4.220) 10.683 3.116 ( 0.910 -1.555 2.861) 3.381 3.176 ( 0.666 -7.719 2.603) 8.173 3.379 ( -1.210 -4.852 1.441) 5.204 3.549 ( -0.976 -6.932 -2.676) 7.494 3.803 ( -1.804 0.068 3.980) 4.370 4.494 ( 2.771 1.197 -15.055) 15.355 5.355 ( 4.006 2.833 4.892) 6.928 5.912 ( 6.034 2.066 4.454) 7.779 6.548 ( -0.355 2.169 8.126) 8.418 6.731 ( 4.115 -11.148 2.796) 12.208 8.042 ( 3.948 3.913 2.158) 5.962 8.487 ( -1.437 4.808 -30.810) 31.216 8.873 ( 0.038 -8.420 -2.328) 8.736 9.294 ( -4.985 -6.311 -4.000) 8.983 11.107 ( 3.571 -1.749 2.706) 4.810 11.590 ( 1.516 -0.958 2.929) 3.434 12.259 ( -9.545 10.264 11.095) 17.876 12.475 ( 13.317 4.798 -1.847) 14.276 13.116 ( -1.228 -16.643 -0.153) 16.689 13.214 ( -0.325 -11.211 1.255) 11.285 14.781 ( 8.516 0.069 -14.387) 16.719 15.433 ( 0.322 26.380 -4.916) 26.836 16.408 ( -0.534 3.128 0.162) 3.178 17.001 ( -6.394 -10.417 1.097) 12.272 17.557 ( 2.040 12.678 7.742) 14.994 18.398 ( -3.441 -21.515 7.429) 23.020 ======================= Grid point 437 (191/481) ======================= q-point: (-0.25 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -24.469 -9.273 3.080) 26.348 2.265 ( -17.423 -21.935 -4.226) 28.329 2.870 ( -9.896 -10.803 -3.545) 15.073 3.146 ( -2.456 -14.227 -0.686) 14.454 3.234 ( 5.416 -15.536 10.084) 19.297 3.418 ( -0.590 -17.829 1.303) 17.886 3.508 ( -4.286 -10.423 -1.277) 11.342 3.756 ( 14.305 -8.282 2.308) 16.690 3.829 ( -6.380 -6.690 2.292) 9.525 4.447 ( 4.646 0.347 -15.396) 16.085 5.328 ( 0.781 2.933 6.329) 7.019 5.893 ( 1.563 2.856 0.207) 3.262 6.529 ( 1.278 2.930 9.845) 10.351 6.994 ( 1.819 -11.140 -0.174) 11.288 7.974 ( 5.607 3.896 -3.282) 7.576 8.321 ( -4.845 0.539 -19.970) 20.556 8.981 ( 0.166 -4.102 -5.443) 6.818 9.499 ( -5.117 -18.476 1.666) 19.244 11.181 ( 0.993 -3.466 3.081) 4.742 11.654 ( 2.577 -3.844 -0.518) 4.657 12.046 ( -5.580 9.700 11.124) 15.779 12.438 ( 10.959 5.884 -2.244) 12.640 13.341 ( -7.239 -8.207 1.162) 11.005 13.552 ( 1.657 -22.231 2.927) 22.484 14.807 ( 10.763 0.261 -11.834) 15.998 14.942 ( 1.554 20.495 -7.102) 21.747 16.321 ( -2.082 5.492 1.389) 6.036 16.787 ( -7.872 19.588 2.191) 21.224 17.725 ( 5.679 -15.171 3.660) 16.607 18.750 ( -2.255 -14.861 6.245) 16.277 ======================= Grid point 438 (192/481) ======================= q-point: (-0.19 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -20.307 -16.196 4.267) 26.322 2.438 ( -21.499 -11.840 -5.300) 25.109 3.155 ( -0.128 -21.642 0.901) 21.662 3.267 ( 1.383 -4.122 2.409) 4.971 3.551 ( -7.193 -4.391 -1.908) 8.641 3.655 ( 1.343 -17.856 3.076) 18.169 3.886 ( 3.081 -22.394 5.257) 23.208 3.975 ( 8.149 -10.975 1.332) 13.734 4.097 ( -2.347 -20.281 -1.164) 20.450 4.447 ( 5.829 -2.958 -13.346) 14.861 5.314 ( -1.911 0.458 7.988) 8.226 5.844 ( -0.105 1.767 -2.731) 3.255 6.521 ( 2.623 2.518 8.612) 9.348 7.033 ( -4.890 5.448 -5.196) 8.977 8.072 ( 7.684 -10.897 0.241) 13.336 8.278 ( -4.955 -4.535 -11.076) 12.954 9.034 ( 1.934 -3.785 -5.478) 6.934 9.857 ( -6.053 -20.298 3.731) 21.507 11.256 ( -3.063 -3.107 4.474) 6.250 11.703 ( -2.047 -1.009 -0.839) 2.431 12.004 ( 4.786 -3.632 6.353) 8.744 12.377 ( 8.514 5.242 -2.542) 10.316 13.375 ( -9.756 -0.989 1.858) 9.980 13.980 ( 0.963 -19.695 2.766) 19.911 14.528 ( -1.442 16.500 -0.587) 16.573 14.945 ( 16.387 -5.116 -16.216) 23.614 16.198 ( -4.382 6.322 4.432) 8.878 16.400 ( -2.543 17.601 1.338) 17.834 18.009 ( 2.678 -10.792 1.449) 11.214 18.958 ( -2.330 -7.142 3.360) 8.229 ======================= Grid point 439 (193/481) ======================= q-point: (-0.12 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -14.946 -17.387 5.411) 23.558 2.521 ( -14.320 -11.335 -4.685) 18.855 3.335 ( 2.020 -1.016 1.213) 2.565 3.525 ( -5.864 -11.983 -1.176) 13.393 3.640 ( 0.634 -14.645 2.748) 14.914 3.945 ( 0.276 -11.383 -1.199) 11.449 4.224 ( -0.141 -11.679 0.513) 11.691 4.265 ( 5.414 -13.969 -0.570) 14.992 4.451 ( 4.421 -15.115 -3.494) 16.132 4.618 ( 2.159 -17.541 -1.906) 17.776 5.343 ( -3.602 -2.338 7.573) 8.706 5.827 ( 1.185 -1.179 -3.291) 3.691 6.514 ( 1.612 2.309 4.385) 5.211 6.801 ( -6.434 11.550 -3.822) 13.763 8.224 ( -2.214 -2.049 0.980) 3.172 8.495 ( 3.872 -20.323 -4.319) 21.134 9.118 ( 3.664 -4.824 -4.016) 7.268 10.165 ( -6.703 -14.573 3.784) 16.482 11.261 ( -5.206 1.758 6.349) 8.397 11.762 ( 1.310 -7.257 -2.975) 7.952 12.163 ( 3.918 -4.754 1.347) 6.306 12.387 ( 6.609 -5.328 -0.639) 8.513 13.317 ( -8.703 0.979 1.101) 8.827 14.167 ( 3.860 8.343 0.067) 9.193 14.356 ( -5.596 -5.163 1.181) 7.705 15.094 ( 14.982 -6.154 -12.287) 20.329 16.080 ( -4.770 5.645 8.581) 11.324 16.129 ( 1.491 10.759 -1.734) 10.999 18.169 ( 0.249 -5.278 0.634) 5.321 19.024 ( -3.224 -1.401 0.747) 3.594 ======================= Grid point 440 (194/481) ======================= q-point: (-0.06 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -8.730 -11.696 4.762) 15.352 2.685 ( -7.142 -13.935 -2.260) 15.821 3.343 ( 1.243 0.880 0.245) 1.542 3.651 ( -8.347 -10.231 -2.958) 13.532 3.963 ( 5.544 -11.664 1.360) 12.986 4.088 ( -0.031 -6.081 -1.416) 6.244 4.368 ( -2.628 -7.083 -2.058) 7.830 4.562 ( 2.286 -15.414 -1.905) 15.698 4.714 ( 5.910 -9.916 0.965) 11.584 4.982 ( 1.400 -17.236 2.031) 17.412 5.399 ( -4.222 -3.713 4.390) 7.133 5.885 ( 3.223 -4.325 -2.088) 5.784 6.433 ( -5.418 6.452 -6.509) 10.647 6.598 ( -0.075 6.243 6.593) 9.080 8.240 ( -3.581 -1.841 0.399) 4.046 8.901 ( 4.329 -20.743 -1.184) 21.223 9.200 ( 2.465 -2.231 -2.171) 3.971 10.339 ( -6.235 -6.888 2.754) 9.691 11.206 ( -3.061 2.914 5.467) 6.910 11.904 ( 3.016 -5.433 -5.179) 8.089 12.268 ( 0.806 -8.915 1.375) 9.056 12.619 ( 4.220 -12.438 0.246) 13.136 13.278 ( -5.871 -1.839 0.221) 6.156 13.965 ( 3.853 12.590 0.296) 13.169 14.397 ( -7.252 -0.956 -0.378) 7.325 15.263 ( 12.520 -6.059 -7.103) 15.618 15.946 ( 3.937 8.012 -0.858) 8.968 16.039 ( -4.801 0.928 6.815) 8.388 18.226 ( -1.221 -1.350 0.305) 1.846 18.999 ( -3.349 1.547 -0.625) 3.742 ======================= Grid point 452 (195/481) ======================= q-point: (-0.31 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -21.251 -0.000 -6.062) 22.099 1.795 ( -28.328 -0.000 1.920) 28.392 2.500 ( 4.171 0.000 6.111) 7.399 2.674 ( -3.538 -0.000 -4.494) 5.719 3.100 ( -20.692 -0.000 -4.224) 21.119 3.120 ( 3.106 0.000 0.984) 3.258 3.157 ( -16.251 -0.000 1.548) 16.324 3.589 ( 17.476 0.000 8.442) 19.408 3.851 ( 7.224 0.000 4.093) 8.303 4.479 ( 3.984 0.000 -14.126) 14.677 5.424 ( 3.982 0.000 3.593) 5.364 5.972 ( 2.497 0.000 1.462) 2.894 6.595 ( 5.895 0.000 0.115) 5.896 6.661 ( -0.012 -0.000 12.256) 12.256 8.113 ( 4.107 0.000 4.543) 6.125 8.438 ( 1.601 0.000 -37.294) 37.328 8.770 ( 0.093 0.000 -0.382) 0.393 9.192 ( -5.268 -0.000 -6.006) 7.989 11.127 ( 3.943 0.000 3.762) 5.450 11.600 ( 2.195 0.000 0.940) 2.388 12.354 ( -9.937 -0.000 13.333) 16.628 12.609 ( 13.161 0.000 -1.763) 13.279 12.932 ( 0.016 0.000 0.543) 0.544 13.090 ( -0.662 -0.000 -0.337) 0.743 14.780 ( 8.862 0.000 -15.627) 17.965 15.745 ( 1.951 0.000 -8.485) 8.707 16.441 ( 0.246 0.000 -0.031) 0.248 16.770 ( -4.520 -0.000 4.312) 6.247 17.950 ( -0.149 -0.000 -0.003) 0.149 17.979 ( -7.918 -0.000 18.502) 20.125 ======================= Grid point 453 (196/481) ======================= q-point: (-0.25 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -27.667 -3.238 2.126) 27.937 1.711 ( -20.730 -21.243 -4.093) 29.963 2.646 ( -14.357 -4.154 -3.132) 15.271 2.753 ( 3.046 -18.420 4.156) 19.127 3.024 ( -24.028 -15.768 -4.921) 29.158 3.193 ( 1.816 -2.913 6.500) 7.351 3.232 ( -0.981 -9.433 -1.130) 9.551 3.734 ( 12.620 -2.234 9.152) 15.749 3.887 ( 10.993 2.667 3.440) 11.823 4.444 ( 5.356 1.274 -14.500) 15.510 5.417 ( 1.451 3.455 4.087) 5.545 5.944 ( -1.590 2.680 -2.459) 3.970 6.616 ( 2.635 1.814 7.393) 8.056 6.807 ( 4.675 -9.932 4.977) 12.053 8.111 ( 6.254 5.953 -0.819) 8.673 8.255 ( -2.853 3.517 -30.051) 30.390 8.858 ( 0.126 -7.152 -2.318) 7.519 9.207 ( -5.785 -8.069 -3.083) 10.396 11.168 ( 2.730 -0.698 4.229) 5.082 11.626 ( 3.945 -1.157 -1.125) 4.262 12.232 ( -8.729 9.529 12.665) 18.094 12.603 ( 10.419 5.741 -2.112) 12.081 13.094 ( -2.660 -13.154 0.203) 13.422 13.234 ( 1.754 -14.075 3.177) 14.535 14.796 ( 12.063 -1.594 -17.050) 20.946 15.391 ( -1.461 26.719 -6.284) 27.487 16.401 ( -1.419 3.612 0.976) 4.001 16.922 ( -8.072 -4.654 0.569) 9.335 17.645 ( 3.635 6.380 8.659) 11.354 18.417 ( -2.993 -21.910 10.001) 24.270 ======================= Grid point 454 (197/481) ======================= q-point: (-0.19 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -25.333 -12.140 4.150) 28.397 2.001 ( -22.839 -19.576 -3.309) 30.262 2.742 ( -10.766 -18.531 0.130) 21.432 3.122 ( -1.580 -15.534 -0.754) 15.633 3.324 ( -7.720 -14.248 -0.011) 16.205 3.375 ( -2.031 -24.680 3.309) 24.983 3.412 ( -1.634 -10.392 0.326) 10.525 3.826 ( 1.529 -2.147 4.835) 5.507 3.986 ( 16.367 -4.104 5.098) 17.627 4.417 ( 7.728 -0.063 -14.767) 16.667 5.364 ( -1.940 3.192 6.512) 7.507 5.863 ( -3.009 2.449 -5.208) 6.495 6.612 ( 2.678 2.703 6.697) 7.702 7.016 ( 1.255 -5.324 1.682) 5.723 7.972 ( 3.212 0.617 -17.924) 18.220 8.192 ( -1.305 -0.758 -2.669) 3.066 8.949 ( 0.330 -4.130 -4.963) 6.465 9.441 ( -6.617 -19.636 1.510) 20.776 11.212 ( 0.053 -1.601 4.385) 4.668 11.670 ( 1.284 -1.410 -1.581) 2.477 12.077 ( -1.212 5.737 10.225) 11.787 12.529 ( 7.816 6.509 -4.006) 10.932 13.260 ( -7.795 -6.829 1.249) 10.438 13.612 ( 3.598 -20.686 5.888) 21.806 14.857 ( 5.447 10.032 -4.426) 12.244 14.908 ( 8.180 7.565 -17.505) 20.750 16.303 ( -3.658 5.811 3.360) 7.644 16.704 ( -8.745 16.115 2.334) 18.482 17.818 ( 6.421 -11.852 3.009) 13.811 18.774 ( -0.575 -13.613 6.173) 14.958 ======================= Grid point 455 (198/481) ======================= q-point: (-0.12 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -19.728 -19.662 5.934) 28.479 2.163 ( -20.598 -14.885 -2.595) 25.546 3.158 ( -1.212 -24.187 1.670) 24.275 3.305 ( 2.675 -5.527 2.273) 6.548 3.437 ( -8.405 -6.023 -4.240) 11.176 3.689 ( 0.807 -16.915 1.486) 17.000 3.865 ( -10.031 -26.573 -1.304) 28.433 3.985 ( 1.589 -12.614 2.899) 13.040 4.216 ( 11.795 -9.829 3.326) 15.710 4.459 ( 10.355 -4.325 -10.386) 15.290 5.334 ( -3.978 0.753 8.251) 9.191 5.804 ( -1.299 0.112 -5.652) 5.801 6.586 ( 1.751 3.225 1.764) 4.072 6.954 ( -5.111 8.672 0.015) 10.066 8.135 ( 4.429 -17.583 -10.295) 20.851 8.199 ( 0.396 -0.591 3.031) 3.114 9.023 ( 2.113 -5.306 -4.684) 7.387 9.799 ( -7.323 -20.615 2.806) 22.056 11.250 ( -3.823 -1.338 5.620) 6.928 11.680 ( -0.704 -1.535 -1.046) 1.986 12.108 ( 6.548 -3.552 4.738) 8.829 12.436 ( 5.063 5.278 -4.096) 8.382 13.279 ( -8.815 -0.626 2.003) 9.062 14.018 ( 1.285 -17.714 4.468) 18.314 14.505 ( -1.776 15.687 -0.825) 15.809 15.030 ( 17.773 -5.763 -17.862) 25.848 16.176 ( -5.995 6.114 7.329) 11.271 16.379 ( -2.530 14.643 1.279) 14.915 18.047 ( 2.436 -8.492 1.020) 8.893 18.954 ( -1.307 -5.244 1.432) 5.591 ======================= Grid point 456 (199/481) ======================= q-point: (-0.06 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -13.989 -20.519 6.945) 25.787 2.352 ( -10.582 -15.931 -2.018) 19.232 3.355 ( 1.155 -0.308 -2.217) 2.519 3.418 ( -7.876 -8.852 -1.884) 11.998 3.708 ( 4.741 -19.789 5.588) 21.102 3.939 ( 0.955 -9.536 -2.962) 10.031 4.192 ( -4.730 -11.399 -2.907) 12.679 4.254 ( -3.685 -17.182 -2.402) 17.736 4.506 ( 6.452 -14.455 -0.151) 15.831 4.685 ( 8.981 -14.948 0.982) 17.467 5.341 ( -5.032 -1.430 7.008) 8.745 5.817 ( 1.495 -3.295 -4.093) 5.464 6.502 ( -2.017 5.656 -6.471) 8.828 6.754 ( -3.568 8.897 6.837) 11.774 8.200 ( -2.171 -0.906 0.533) 2.412 8.531 ( 5.617 -20.736 -2.752) 21.659 9.135 ( 3.515 -5.587 -3.413) 7.431 10.104 ( -7.267 -14.887 2.696) 16.784 11.243 ( -5.188 1.163 6.344) 8.277 11.766 ( 2.784 -7.611 -2.958) 8.627 12.216 ( 4.324 -0.893 0.161) 4.418 12.443 ( 3.847 -7.022 -0.968) 8.065 13.231 ( -7.413 0.438 1.282) 7.535 14.208 ( 3.109 8.317 0.069) 8.879 14.304 ( -4.945 -3.399 1.577) 6.205 15.186 ( 15.329 -6.448 -13.034) 21.129 16.075 ( -6.450 3.533 9.625) 12.113 16.142 ( 2.005 10.911 -0.287) 11.097 18.171 ( -0.449 -4.096 0.511) 4.153 18.990 ( -2.388 -0.473 -1.257) 2.740 ======================= Grid point 469 (200/481) ======================= q-point: (-0.25 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -24.450 -0.000 -4.365) 24.837 1.466 ( -30.528 -0.000 2.369) 30.619 2.536 ( -4.219 -0.000 0.125) 4.221 2.575 ( -47.462 -0.000 -4.078) 47.637 2.661 ( 5.522 0.000 1.618) 5.755 3.147 ( 1.258 0.000 -0.359) 1.309 3.210 ( 4.447 0.000 6.323) 7.730 3.823 ( 11.627 0.000 9.686) 15.133 4.010 ( 15.099 0.000 3.953) 15.608 4.447 ( 5.731 0.000 -12.765) 13.992 5.473 ( 0.719 0.000 2.436) 2.540 5.942 ( -4.496 -0.000 -5.623) 7.199 6.666 ( 6.148 0.000 0.068) 6.149 6.761 ( 2.168 0.000 12.753) 12.936 8.173 ( -2.224 -0.000 -22.527) 22.637 8.223 ( 9.203 0.000 -14.209) 16.929 8.769 ( 0.104 0.000 -0.318) 0.334 9.095 ( -5.541 -0.000 -4.312) 7.021 11.198 ( 3.174 0.000 5.319) 6.194 11.639 ( 5.189 0.000 -1.769) 5.482 12.331 ( -9.709 -0.000 13.378) 16.530 12.740 ( 9.874 0.000 0.357) 9.880 12.935 ( 0.025 0.000 0.493) 0.493 13.079 ( -0.730 -0.000 -0.314) 0.795 14.788 ( 12.049 0.000 -18.912) 22.424 15.693 ( -0.082 -0.000 -10.645) 10.646 16.444 ( 0.278 0.000 -0.015) 0.279 16.738 ( -5.364 -0.000 3.496) 6.403 17.948 ( -0.175 -0.000 -0.019) 0.176 18.035 ( -6.629 -0.000 24.761) 25.633 ======================= Grid point 470 (201/481) ======================= q-point: (-0.19 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -29.544 -4.430 4.100) 30.154 1.436 ( -22.463 -24.012 -2.228) 32.956 2.349 ( -35.600 -9.528 0.616) 36.858 2.705 ( -10.759 -18.668 -3.905) 21.898 2.885 ( 3.714 -17.468 3.710) 18.240 3.216 ( -0.379 -6.365 -2.133) 6.723 3.290 ( 4.943 -3.746 6.996) 9.350 3.894 ( 6.997 2.710 7.161) 10.372 4.077 ( 14.065 2.089 4.515) 14.919 4.427 ( 7.996 1.016 -13.396) 15.634 5.436 ( -2.922 3.611 3.613) 5.884 5.862 ( -5.321 2.207 -7.869) 9.752 6.689 ( 3.360 1.665 3.016) 4.813 6.905 ( 4.741 -8.412 7.780) 12.400 7.965 ( -2.665 6.492 -39.052) 39.677 8.228 ( 5.043 2.685 7.596) 9.505 8.845 ( 0.148 -5.839 -2.163) 6.228 9.119 ( -6.861 -9.076 -1.304) 11.452 11.227 ( 1.992 0.614 5.583) 5.960 11.667 ( 4.259 -0.067 -1.381) 4.478 12.224 ( -6.569 7.480 11.629) 15.308 12.678 ( 5.820 6.948 -4.073) 9.937 13.059 ( -3.384 -9.469 0.453) 10.066 13.304 ( 5.138 -18.084 5.827) 19.682 14.829 ( 15.079 -3.566 -21.369) 26.396 15.311 ( -5.043 26.725 -6.634) 27.995 16.388 ( -2.764 4.240 2.700) 5.737 16.825 ( -9.157 -0.494 0.563) 9.187 17.752 ( 5.474 2.135 7.179) 9.277 18.472 ( 0.433 -21.848 12.034) 24.946 ======================= Grid point 471 (202/481) ======================= q-point: (-0.12 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -24.273 -15.766 7.016) 29.782 1.712 ( -24.480 -18.806 0.399) 30.872 2.609 ( -14.709 -31.122 3.850) 34.637 3.031 ( -10.581 -22.663 -5.559) 25.621 3.249 ( 1.367 -11.789 0.683) 11.888 3.338 ( -4.438 -11.719 -2.603) 12.799 3.487 ( 4.780 -12.898 6.328) 15.141 3.875 ( 1.636 -0.293 2.348) 2.877 4.177 ( 10.346 -3.408 3.858) 11.556 4.441 ( 11.965 -1.185 -11.564) 16.682 5.367 ( -5.451 2.484 7.111) 9.297 5.777 ( -3.139 0.876 -7.772) 8.427 6.661 ( 2.035 3.321 -0.786) 3.974 7.045 ( -0.798 1.195 5.879) 6.052 7.839 ( 0.179 -9.210 -21.965) 23.818 8.234 ( 3.158 1.706 7.052) 7.913 8.922 ( 0.156 -4.485 -3.993) 6.007 9.370 ( -7.203 -20.154 1.733) 21.473 11.239 ( -1.184 0.235 5.768) 5.893 11.666 ( -0.482 0.585 -0.621) 0.980 12.149 ( 2.707 2.051 7.441) 8.180 12.562 ( 3.997 6.708 -6.172) 9.953 13.184 ( -6.346 -5.642 1.111) 8.564 13.712 ( 5.235 -18.134 8.400) 20.660 14.808 ( -5.248 19.169 -5.663) 20.665 14.959 ( 18.412 -5.759 -19.165) 27.193 16.282 ( -5.535 6.016 6.354) 10.354 16.620 ( -8.497 12.682 2.713) 15.504 17.908 ( 6.053 -8.578 1.753) 10.644 18.817 ( 2.406 -10.671 3.005) 11.344 ======================= Grid point 472 (203/481) ======================= q-point: (-0.06 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -17.419 -22.693 9.061) 30.008 1.939 ( -16.653 -19.431 0.996) 25.610 3.147 ( -2.778 -21.279 2.158) 21.567 3.302 ( -6.867 -10.321 -6.740) 14.111 3.358 ( 1.538 -12.567 2.827) 12.973 3.650 ( -7.498 -22.995 -0.793) 24.200 3.789 ( -0.133 -14.000 -0.637) 14.015 4.010 ( 0.397 -11.056 -0.220) 11.065 4.338 ( 7.139 -7.938 0.423) 10.684 4.553 ( 13.211 -6.470 -4.131) 15.279 5.331 ( -5.901 0.711 8.044) 10.002 5.753 ( -0.299 -1.991 -5.913) 6.246 6.578 ( 0.471 5.222 -6.548) 8.389 6.923 ( -5.255 8.943 7.828) 12.995 8.093 ( 2.574 -15.261 -9.306) 18.059 8.270 ( 3.654 -4.242 5.387) 7.770 9.021 ( 2.203 -6.729 -3.560) 7.925 9.730 ( -7.268 -20.690 2.217) 22.041 11.240 ( -4.766 0.079 6.487) 8.050 11.675 ( 1.462 -2.693 -1.480) 3.403 12.214 ( 6.438 -3.222 3.822) 8.151 12.439 ( 1.466 5.210 -5.772) 7.912 13.201 ( -6.520 -0.356 1.483) 6.696 14.065 ( 0.806 -14.309 5.607) 15.389 14.475 ( -2.116 13.378 -1.467) 13.624 15.119 ( 18.427 -5.879 -18.460) 26.737 16.156 ( -7.576 5.750 10.193) 13.941 16.361 ( -2.199 11.791 1.797) 12.128 18.077 ( 1.724 -6.254 0.604) 6.515 18.943 ( -0.184 -3.137 -2.521) 4.029 ======================= Grid point 486 (204/481) ======================= q-point: (-0.19 -0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -26.708 -0.000 -1.303) 26.740 1.127 ( -31.748 -0.000 5.097) 32.155 1.988 ( -52.749 -0.000 3.550) 52.869 2.465 ( -4.840 -0.000 -2.800) 5.592 2.763 ( 6.918 0.000 4.545) 8.278 3.144 ( -0.562 -0.000 -1.617) 1.712 3.310 ( 5.341 0.000 5.397) 7.593 4.005 ( 10.570 0.000 7.544) 12.986 4.209 ( 13.157 0.000 2.435) 13.380 4.450 ( 8.657 0.000 -9.678) 12.984 5.460 ( -5.287 -0.000 0.256) 5.293 5.824 ( -5.389 -0.000 -9.122) 10.595 6.735 ( 5.496 0.000 0.025) 5.496 6.861 ( 1.723 0.000 9.069) 9.231 7.872 ( -4.577 -0.000 -46.022) 46.249 8.341 ( 9.187 0.000 6.251) 11.112 8.768 ( 0.113 0.000 -0.234) 0.260 9.007 ( -6.211 -0.000 -1.631) 6.422 11.281 ( 4.616 0.000 7.317) 8.652 11.703 ( 6.896 0.000 0.546) 6.917 12.302 ( -9.795 -0.000 11.903) 15.415 12.835 ( 6.244 0.000 -0.410) 6.258 12.939 ( -0.000 -0.000 0.420) 0.420 13.069 ( -0.667 -0.000 -0.278) 0.723 14.796 ( 13.295 0.000 -24.759) 28.103 15.594 ( -4.496 -0.000 -11.863) 12.686 16.447 ( 0.264 0.000 -0.005) 0.264 16.692 ( -5.831 -0.000 2.171) 6.222 17.946 ( -0.167 -0.000 -0.027) 0.169 18.167 ( -0.696 -0.000 28.327) 28.336 ======================= Grid point 487 (205/481) ======================= q-point: (-0.12 -0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -28.752 -7.547 8.581) 30.940 1.172 ( -22.952 -24.857 2.759) 33.945 1.907 ( -42.189 -23.757 7.104) 48.936 2.588 ( -5.295 -15.515 -3.924) 16.857 2.979 ( 5.968 -15.405 4.275) 17.065 3.186 ( -1.014 -4.902 -3.788) 6.278 3.389 ( 4.620 -4.011 5.152) 7.999 3.991 ( 3.003 9.344 0.582) 9.832 4.218 ( 5.969 1.700 1.702) 6.436 4.469 ( 12.709 0.306 -8.767) 15.442 5.392 ( -8.323 2.039 3.470) 9.245 5.754 ( -2.741 1.280 -7.449) 8.040 6.726 ( 2.558 2.845 -2.436) 4.535 7.014 ( 4.396 -8.170 9.019) 12.939 7.647 ( -8.343 0.539 -36.253) 37.205 8.353 ( 6.144 5.031 10.058) 12.815 8.832 ( -0.288 -4.339 -1.735) 4.682 9.033 ( -7.483 -9.901 0.892) 12.443 11.296 ( 2.431 3.380 8.057) 9.069 11.699 ( 0.826 3.302 1.624) 3.772 12.230 ( -4.583 3.539 8.531) 10.311 12.690 ( 3.446 7.494 -6.755) 10.661 13.027 ( -2.531 -7.036 0.525) 7.496 13.431 ( 9.110 -21.658 7.690) 24.722 14.832 ( 12.712 -4.936 -30.816) 33.698 15.194 ( -8.291 23.639 -2.791) 25.206 16.374 ( -4.141 4.911 5.108) 8.207 16.723 ( -9.138 1.866 1.344) 9.422 17.856 ( 5.753 -0.290 3.543) 6.762 18.589 ( 7.581 -18.973 7.504) 21.767 ======================= Grid point 488 (206/481) ======================= q-point: (-0.06 -0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -20.084 -19.349 13.091) 30.808 1.456 ( -22.613 -20.662 5.870) 31.188 2.456 ( -16.797 -44.541 6.154) 47.999 2.885 ( -6.804 -19.382 -5.094) 21.164 3.248 ( -2.192 -5.879 -7.790) 10.002 3.320 ( 3.702 -12.851 4.451) 14.095 3.572 ( 4.460 -11.164 2.402) 12.260 3.872 ( -3.182 -1.625 -1.736) 3.972 4.275 ( 5.362 -3.166 -0.268) 6.233 4.538 ( 13.434 -2.099 -5.177) 14.550 5.338 ( -7.259 1.075 7.204) 10.283 5.711 ( -0.301 -0.076 -5.189) 5.198 6.656 ( 2.343 4.439 -6.630) 8.315 7.068 ( -4.740 6.202 10.057) 12.731 7.727 ( 3.433 -18.933 -16.670) 25.459 8.326 ( 2.363 3.661 9.757) 10.686 8.901 ( 0.079 -5.348 -2.586) 5.940 9.302 ( -6.365 -20.233 1.969) 21.301 11.259 ( -3.425 2.509 7.809) 8.888 11.659 ( 0.517 0.496 -0.713) 1.011 12.214 ( -0.042 -0.580 5.187) 5.219 12.561 ( 5.008 7.340 -7.391) 11.558 13.129 ( -4.129 -4.609 0.481) 6.207 13.834 ( 4.794 -14.033 9.352) 17.532 14.687 ( -6.075 12.208 -9.793) 16.788 15.052 ( 18.440 -5.255 -17.430) 25.913 16.261 ( -7.227 6.203 9.642) 13.553 16.550 ( -6.969 9.623 3.747) 12.458 17.977 ( 4.442 -6.005 0.625) 7.496 18.851 ( 3.766 -6.502 -5.722) 9.445 ======================= Grid point 503 (207/481) ======================= q-point: (-0.12 -0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -27.424 -0.000 4.434) 27.780 0.813 ( -31.061 -0.000 11.382) 33.081 1.428 ( -54.022 -0.000 17.416) 56.760 2.401 ( -2.890 -0.000 -2.662) 3.929 2.865 ( 5.293 0.000 4.001) 6.635 3.117 ( -1.561 -0.000 -2.333) 2.807 3.391 ( 3.555 0.000 2.124) 4.142 4.134 ( 6.827 0.000 -9.387) 11.606 4.289 ( 1.823 0.000 -7.847) 8.056 4.557 ( 16.700 0.000 1.921) 16.810 5.364 ( -9.159 -0.000 3.328) 9.745 5.740 ( -0.819 -0.000 -3.751) 3.839 6.791 ( 4.099 0.000 -0.006) 4.099 6.893 ( -1.285 -0.000 -4.631) 4.806 7.466 ( -16.642 -0.000 -34.124) 37.965 8.511 ( 11.746 0.000 8.805) 14.680 8.768 ( 0.120 0.000 -0.144) 0.187 8.934 ( -6.436 -0.000 2.465) 6.892 11.427 ( 11.965 0.000 9.026) 14.987 11.824 ( 9.537 0.000 10.967) 14.533 12.259 ( -10.147 -0.000 9.886) 14.166 12.872 ( 2.857 0.000 -5.204) 5.936 12.941 ( -0.057 -0.000 0.335) 0.340 13.061 ( -0.478 -0.000 -0.233) 0.532 14.705 ( 1.847 0.000 -38.847) 38.891 15.431 ( -10.825 -0.000 -8.349) 13.671 16.450 ( 0.203 0.000 -0.004) 0.203 16.636 ( -5.317 -0.000 0.817) 5.380 17.944 ( -0.125 -0.000 -0.024) 0.127 18.373 ( 7.887 0.000 14.144) 16.194 ======================= Grid point 504 (208/481) ======================= q-point: (-0.06 -0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -21.706 -12.669 17.331) 30.529 0.956 ( -21.951 -22.993 12.150) 34.032 1.519 ( -35.075 -37.435 15.005) 53.449 2.523 ( -2.226 -14.016 -2.680) 14.443 3.037 ( -0.813 -10.998 0.172) 11.029 3.178 ( 6.158 -7.328 -3.420) 10.164 3.451 ( 2.321 -5.060 -0.534) 5.592 3.889 ( -14.416 9.631 -12.650) 21.461 4.266 ( 3.283 -0.473 -1.028) 3.473 4.609 ( 16.044 2.949 1.158) 16.354 5.337 ( -6.162 1.074 8.242) 10.347 5.716 ( 0.485 1.438 -0.776) 1.704 6.725 ( 3.950 3.271 -6.337) 8.153 7.139 ( 6.245 -6.691 11.997) 15.089 7.328 ( -10.152 -12.395 -22.955) 27.993 8.500 ( 5.165 8.868 14.007) 17.364 8.814 ( -1.165 -2.869 -0.658) 3.166 8.965 ( -6.137 -11.031 2.656) 12.900 11.392 ( 1.036 11.061 13.432) 17.431 11.701 ( -2.923 5.836 2.780) 7.094 12.211 ( -7.171 0.514 5.340) 8.956 12.702 ( 8.241 5.899 -7.677) 12.714 13.007 ( -1.504 -5.557 0.333) 5.766 13.624 ( 15.020 -21.155 8.779) 27.390 14.636 ( -6.330 -7.722 -39.351) 40.598 15.138 ( 0.822 11.698 -0.472) 11.736 16.362 ( -5.136 5.452 7.464) 10.574 16.641 ( -7.261 2.551 3.400) 8.414 17.927 ( 4.055 -1.934 0.697) 4.547 18.677 ( 6.885 -13.592 -15.936) 22.048 ======================= Grid point 520 (209/481) ======================= q-point: (-0.06 -0.06 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -21.105 -0.000 15.338) 26.090 0.592 ( -23.947 -0.000 22.606) 32.931 1.040 ( -41.538 -0.000 40.151) 57.771 2.366 ( -0.441 -0.000 -1.931) 1.981 2.921 ( 0.538 0.000 0.839) 0.997 3.093 ( 0.346 0.000 -0.834) 0.903 3.375 ( -5.077 -0.000 -11.723) 12.775 3.818 ( -26.896 -0.000 -22.424) 35.017 4.275 ( 1.885 0.000 -1.402) 2.349 4.854 ( 27.773 0.000 -1.909) 27.838 5.422 ( 5.685 0.000 10.267) 11.736 5.766 ( 2.087 0.000 8.621) 8.870 6.772 ( 4.000 0.000 -7.573) 8.565 6.828 ( 2.181 0.000 -0.027) 2.181 7.248 ( -2.890 -0.000 17.608) 17.843 8.715 ( 12.002 0.000 4.375) 12.774 8.769 ( 0.124 0.000 -0.061) 0.138 8.934 ( 3.902 0.000 11.195) 11.855 11.633 ( 13.744 0.000 0.344) 13.748 12.086 ( 2.254 0.000 -0.653) 2.347 12.329 ( 29.384 0.000 36.054) 46.512 12.825 ( -0.007 -0.000 -12.934) 12.934 12.942 ( -0.138 -0.000 0.253) 0.288 13.055 ( -0.189 -0.000 -0.188) 0.266 14.153 ( -51.936 -0.000 -37.062) 63.804 15.299 ( -5.407 -0.000 -0.308) 5.415 16.451 ( 0.108 0.000 -0.011) 0.109 16.589 ( -3.045 -0.000 0.319) 3.061 17.943 ( -0.058 -0.000 -0.014) 0.059 18.296 ( -24.976 -0.000 -29.970) 39.013 ======================= Grid point 521 (210/481) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 0.592 0.000 17.141) 17.152 1.234 ( -0.046 -0.000 29.008) 29.008 2.032 ( -9.559 -0.000 44.295) 45.315 2.325 ( 2.614 0.000 -2.572) 3.668 2.825 ( -4.727 -0.000 -2.876) 5.533 2.892 ( 2.908 0.000 -18.517) 18.744 3.144 ( 2.288 0.000 1.131) 2.552 3.624 ( -4.305 -0.000 -2.555) 5.006 4.284 ( -0.475 -0.000 1.380) 1.460 4.840 ( 12.433 0.000 -18.073) 21.936 5.287 ( -2.304 -0.000 -2.196) 3.183 5.927 ( -5.050 -0.000 5.886) 7.755 6.839 ( -0.012 -0.000 -0.054) 0.055 6.878 ( 0.446 0.000 1.233) 1.311 7.791 ( 17.155 0.000 4.162) 17.652 8.771 ( 0.157 0.000 0.005) 0.157 8.846 ( 4.379 0.000 2.597) 5.091 9.202 ( 9.129 0.000 -0.157) 9.130 11.622 ( -10.949 -0.000 -8.251) 13.710 11.764 ( -3.450 -0.000 0.274) 3.461 12.488 ( -4.066 -0.000 -0.681) 4.123 12.946 ( -0.309 -0.000 0.256) 0.401 13.050 ( 0.212 0.000 -0.210) 0.298 13.101 ( -6.358 -0.000 4.768) 7.947 13.997 ( 35.541 0.000 -0.396) 35.543 15.292 ( -0.136 -0.000 0.798) 0.810 16.451 ( -0.000 -0.000 -0.021) 0.021 16.584 ( -0.044 -0.000 0.552) 0.554 17.574 ( -23.387 -0.000 0.392) 23.390 17.943 ( 0.023 0.000 -0.005) 0.024 ======================= Grid point 522 (211/481) ======================= q-point: ( 0.06 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 1.642 -26.990 14.902) 30.875 1.455 ( 3.408 -12.940 25.323) 28.641 2.051 ( -3.010 -1.271 21.657) 21.902 2.621 ( 4.785 -22.596 9.261) 24.885 2.798 ( 3.968 -1.238 -10.841) 11.610 2.988 ( -3.190 -13.060 -8.516) 15.914 3.275 ( 1.284 -11.446 0.280) 11.522 3.591 ( -4.048 -0.075 -2.061) 4.543 4.279 ( -2.885 -0.227 0.984) 3.057 4.760 ( 8.269 6.603 -17.916) 20.807 5.270 ( -2.962 -0.107 0.422) 2.994 5.884 ( -0.277 3.826 5.229) 6.485 6.773 ( -3.191 3.915 -0.673) 5.096 7.040 ( -7.732 -14.302 2.059) 16.388 7.818 ( 18.257 7.139 -0.138) 19.604 8.869 ( 1.386 -5.966 0.764) 6.172 8.907 ( 3.757 -3.668 1.692) 5.517 9.110 ( 5.339 9.442 4.143) 11.611 11.444 ( -15.216 5.895 0.980) 16.347 11.736 ( 3.375 2.392 -0.387) 4.155 12.297 ( -7.311 10.362 8.231) 15.119 12.753 ( 4.644 10.049 -2.393) 11.326 12.979 ( -0.253 -2.757 -0.556) 2.824 13.477 ( -22.136 -20.602 -0.907) 30.253 14.377 ( 45.677 -9.742 -12.473) 48.342 15.151 ( 0.356 10.219 -0.413) 10.233 16.444 ( 1.568 3.004 1.260) 3.615 16.832 ( 1.774 -13.919 8.162) 16.233 17.521 ( -20.211 -12.601 -9.878) 25.785 17.973 ( 1.150 -3.130 -0.299) 3.348 ======================= Grid point 523 (212/481) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -3.777 -13.014 23.093) 26.776 1.815 ( 2.535 -15.832 18.999) 24.860 2.392 ( 8.382 -27.165 -1.721) 28.481 2.846 ( 5.685 -5.286 -11.553) 13.919 3.137 ( 3.620 -22.210 4.476) 22.944 3.263 ( -0.729 -19.484 -3.291) 19.774 3.547 ( 0.958 -15.925 1.674) 16.042 3.597 ( -3.542 -5.497 2.013) 6.842 4.277 ( -4.723 -2.225 -0.189) 5.224 4.645 ( 5.974 2.971 -14.822) 16.255 5.253 ( -4.677 -0.145 1.308) 4.859 5.837 ( 2.791 3.308 3.230) 5.401 6.653 ( -7.143 5.039 -1.580) 8.883 7.229 ( -7.222 -5.893 6.549) 11.391 7.827 ( 14.392 -1.742 -4.682) 15.235 8.783 ( 3.213 13.041 5.751) 14.611 9.003 ( 4.116 -3.973 0.478) 5.740 9.258 ( -0.617 -17.691 2.184) 17.836 11.314 ( -9.229 1.772 6.309) 11.319 11.711 ( 0.953 0.768 -1.688) 2.085 12.143 ( -7.778 4.246 3.523) 9.535 12.608 ( 6.270 7.982 -3.645) 10.785 13.011 ( 0.693 -0.918 -1.739) 2.086 13.742 ( -14.243 -19.647 2.427) 24.388 14.592 ( 20.501 5.219 -6.797) 22.220 15.059 ( 6.940 -1.638 -8.773) 11.305 16.364 ( 1.120 7.025 2.194) 7.444 16.866 ( -6.300 10.268 17.591) 21.321 17.797 ( -9.284 -23.665 -15.856) 29.960 18.092 ( 6.572 -9.398 -4.851) 12.452 ======================= Grid point 524 (213/481) ======================= q-point: ( 0.19 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -6.851 -13.460 16.814) 22.601 2.247 ( 9.367 -18.061 13.881) 24.630 2.892 ( 11.504 -16.133 -5.935) 20.684 3.031 ( 3.630 -17.799 -7.826) 19.779 3.360 ( -0.478 -3.470 -4.806) 5.947 3.576 ( -2.978 -16.069 -6.412) 17.555 3.830 ( -1.786 -15.511 1.882) 15.727 3.982 ( 7.109 -25.275 12.205) 28.954 4.325 ( -5.329 -6.992 -1.559) 8.929 4.650 ( 3.430 -5.351 -10.215) 12.031 5.236 ( -5.614 -0.934 2.104) 6.068 5.817 ( 3.212 1.342 0.800) 3.572 6.503 ( -8.935 4.826 -2.792) 10.531 7.185 ( 2.384 9.932 7.945) 12.940 8.044 ( 3.388 -15.539 -4.328) 16.483 8.591 ( 3.248 10.405 3.677) 11.504 9.102 ( 1.883 -4.461 -1.424) 5.047 9.617 ( -0.082 -18.924 1.352) 18.972 11.291 ( -6.401 -0.970 7.607) 9.989 11.734 ( 0.000 -4.098 -1.316) 4.304 12.061 ( -5.226 0.578 -2.729) 5.924 12.510 ( 3.711 4.342 -1.549) 5.918 13.031 ( 3.603 -1.004 -1.273) 3.950 14.035 ( -6.933 -16.075 2.715) 17.715 14.468 ( 3.923 11.445 -0.700) 12.118 15.170 ( 9.760 -6.587 -12.530) 17.195 16.213 ( -2.060 9.587 3.662) 10.468 16.644 ( -6.784 12.789 12.390) 19.055 18.026 ( -4.507 -9.635 -2.804) 11.000 18.368 ( 8.465 -15.279 -10.612) 20.439 ======================= Grid point 525 (214/481) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -2.413 -14.218 8.575) 16.778 2.650 ( 9.161 -14.386 11.580) 20.615 3.162 ( 2.510 -11.804 -4.398) 12.844 3.362 ( 6.750 -7.623 -0.776) 10.212 3.404 ( 3.056 -11.073 -11.663) 16.370 3.797 ( -1.923 -11.065 -4.710) 12.179 4.094 ( -1.340 -12.969 0.964) 13.074 4.405 ( -1.342 -11.985 2.071) 12.237 4.587 ( 2.919 -23.207 4.773) 23.872 4.794 ( 0.317 -9.716 -4.241) 10.606 5.253 ( -4.566 -3.674 2.621) 6.420 5.832 ( 1.523 -1.633 -1.142) 2.508 6.361 ( -8.923 3.429 -3.982) 10.355 6.997 ( 7.298 14.872 6.707) 17.872 8.317 ( -1.158 -7.416 2.954) 8.066 8.508 ( 3.866 -4.609 -4.202) 7.338 9.169 ( -0.351 -2.777 -2.455) 3.723 9.942 ( 1.046 -14.596 0.795) 14.655 11.307 ( -5.730 -1.458 7.516) 9.563 11.860 ( 1.931 -8.165 -1.314) 8.493 12.037 ( -1.457 -1.662 -4.740) 5.230 12.505 ( -2.011 -4.499 -0.210) 4.932 13.097 ( 6.123 -3.413 -0.132) 7.012 14.228 ( -1.692 2.259 0.029) 2.823 14.262 ( 0.088 3.019 1.174) 3.241 15.306 ( 4.701 -7.196 -10.249) 13.376 16.024 ( -5.144 9.075 4.298) 11.282 16.424 ( -4.630 10.455 8.277) 14.116 18.137 ( -0.466 -4.729 -0.325) 4.763 18.623 ( 6.775 -9.973 -7.049) 13.966 ======================= Grid point 526 (215/481) ======================= q-point: ( 0.31 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 0.609 -9.170 3.731) 9.918 2.971 ( 6.874 -11.356 9.403) 16.267 3.248 ( -2.872 -0.930 -1.335) 3.300 3.591 ( 2.117 -15.697 -8.803) 18.120 3.620 ( 10.620 -8.513 -6.120) 14.924 3.958 ( -1.284 -8.699 -0.942) 8.844 4.313 ( -0.111 -10.733 1.636) 10.858 4.616 ( -1.845 -11.617 -1.444) 11.851 4.928 ( -3.488 -6.107 -0.058) 7.033 5.026 ( 3.859 -17.936 4.934) 18.998 5.339 ( -2.891 -6.386 1.444) 7.157 5.891 ( -0.902 -4.915 -1.556) 5.234 6.253 ( -7.184 1.442 -4.778) 8.748 6.778 ( 8.507 15.222 5.434) 18.264 8.312 ( 1.704 2.918 2.225) 4.046 8.791 ( 1.341 -19.225 -3.749) 19.633 9.184 ( -1.816 -0.458 -2.197) 2.887 10.172 ( 2.235 -8.625 0.550) 8.927 11.323 ( -5.614 -1.031 7.342) 9.300 11.914 ( 4.242 2.756 -6.324) 8.098 12.186 ( -1.656 -15.720 0.288) 15.809 12.649 ( -2.761 -11.125 -0.036) 11.462 13.225 ( 5.312 -6.402 0.431) 8.330 13.987 ( -4.220 12.967 0.065) 13.636 14.325 ( 5.898 -0.119 -0.151) 5.901 15.402 ( -1.401 -4.270 -7.048) 8.359 15.869 ( -5.082 5.055 2.741) 7.674 16.259 ( -2.859 7.326 6.254) 10.048 18.199 ( 1.508 -1.642 0.076) 2.231 18.776 ( 5.243 -4.856 -3.820) 8.103 ======================= Grid point 527 (216/481) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 1.115 -4.248 2.246) 4.933 3.191 ( 2.727 -4.109 3.074) 5.811 3.247 ( -1.347 -2.898 3.627) 4.834 3.737 ( 8.825 -4.356 -10.916) 14.698 3.905 ( 0.306 -15.308 -4.486) 15.955 4.110 ( 0.750 -7.492 2.376) 7.895 4.513 ( 1.237 -9.414 3.638) 10.168 4.767 ( -1.274 -5.103 -3.600) 6.374 5.012 ( -4.717 -6.083 3.109) 8.301 5.304 ( 3.751 -7.497 2.944) 8.885 5.446 ( -3.844 -6.893 -1.140) 7.974 5.983 ( -2.172 -5.795 -0.651) 6.223 6.200 ( -3.047 -0.856 -4.390) 5.412 6.574 ( 6.171 12.563 4.280) 14.637 8.300 ( 1.909 -0.049 0.683) 2.028 9.112 ( 6.444 -4.387 -1.872) 8.017 9.204 ( -6.613 -14.262 -1.346) 15.778 10.286 ( 2.761 -1.509 0.425) 3.176 11.325 ( -5.868 -0.050 7.747) 9.718 11.863 ( 4.303 2.027 -6.843) 8.334 12.510 ( -1.493 -18.531 0.330) 18.594 12.840 ( -0.483 -9.601 0.072) 9.614 13.368 ( 2.231 -4.981 0.546) 5.485 13.718 ( -4.781 12.635 0.014) 13.509 14.365 ( 8.774 -0.846 -0.430) 8.826 15.385 ( -5.568 1.764 -3.456) 6.787 15.798 ( -3.005 0.998 0.231) 3.174 16.161 ( -1.465 3.831 4.451) 6.052 18.220 ( 1.958 0.344 0.095) 1.990 18.851 ( 3.718 -1.786 -1.860) 4.525 ======================= Grid point 528 (217/481) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 0.638 -1.865 2.337) 3.057 3.201 ( -0.191 0.491 -0.396) 0.659 3.341 ( -0.559 -2.456 5.426) 5.982 3.817 ( 7.843 -2.636 -8.326) 11.739 4.102 ( -2.380 -7.299 -5.655) 9.535 4.268 ( 2.593 -7.124 3.457) 8.332 4.704 ( 1.857 -8.340 5.374) 10.094 4.770 ( -3.533 0.920 -2.809) 4.606 5.108 ( -1.874 -3.524 4.275) 5.849 5.404 ( 1.600 -2.487 -1.450) 3.294 5.506 ( -2.444 -1.605 -3.274) 4.389 6.060 ( -1.790 -3.346 0.340) 3.810 6.221 ( 2.123 -2.255 -2.057) 3.718 6.424 ( 0.821 6.200 2.878) 6.885 8.330 ( 0.946 -1.629 0.233) 1.898 9.096 ( 1.236 2.132 -0.617) 2.541 9.551 ( -0.914 -19.312 -1.115) 19.366 10.257 ( 2.206 5.994 0.493) 6.406 11.311 ( -5.813 0.554 8.050) 9.945 11.850 ( 4.603 -0.077 -7.059) 8.428 12.828 ( -1.587 -15.339 0.036) 15.421 12.997 ( 1.016 -6.875 -0.098) 6.950 13.398 ( -0.404 3.237 1.235) 3.488 13.479 ( -2.653 9.367 -0.323) 9.740 14.471 ( 7.291 -4.768 -0.561) 8.730 15.280 ( -5.271 4.170 -1.394) 6.864 15.776 ( -1.528 0.221 -0.078) 1.546 16.120 ( -0.590 1.351 2.274) 2.710 18.217 ( 1.330 0.833 0.036) 1.570 18.884 ( 1.984 -0.595 -0.861) 2.243 ======================= Grid point 529 (218/481) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -0.406 -0.549 2.641) 2.728 3.188 ( 0.550 1.266 0.323) 1.417 3.358 ( -2.502 0.896 3.569) 4.450 3.874 ( 7.004 -1.545 -6.786) 9.874 4.117 ( -3.380 1.773 -4.080) 5.587 4.389 ( 1.643 -2.698 1.736) 3.605 4.693 ( -4.075 3.329 -1.411) 5.448 4.886 ( 1.973 -6.717 6.653) 9.658 5.135 ( 0.280 1.265 4.270) 4.462 5.366 ( -3.351 4.702 -5.326) 7.856 5.521 ( 3.545 -1.301 -3.431) 5.103 6.081 ( -0.392 0.679 0.935) 1.221 6.239 ( -0.014 1.448 0.421) 1.508 6.409 ( 0.258 -3.571 0.609) 3.632 8.353 ( -0.617 -0.187 0.191) 0.672 9.082 ( 0.183 -0.732 -0.437) 0.872 9.808 ( 0.399 -3.595 -1.930) 4.100 10.158 ( 0.545 0.678 1.147) 1.440 11.293 ( -5.254 0.779 8.177) 9.751 11.858 ( 4.044 -0.250 -7.123) 8.195 12.997 ( -0.111 -0.324 0.079) 0.351 13.070 ( 0.175 1.624 -0.497) 1.707 13.313 ( -2.964 -0.241 1.672) 3.412 13.394 ( 2.543 -0.588 -0.325) 2.630 14.551 ( 0.036 0.212 -0.691) 0.724 15.209 ( 0.334 0.133 -0.722) 0.807 15.770 ( 0.228 0.048 0.169) 0.289 16.109 ( -0.556 0.253 1.367) 1.497 18.211 ( 0.140 0.084 0.013) 0.163 18.898 ( 0.113 -0.629 -0.621) 0.891 ======================= Grid point 530 (219/481) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -2.040 1.104 2.753) 3.600 3.135 ( -1.216 5.655 2.254) 6.208 3.331 ( -1.525 0.735 1.372) 2.179 3.903 ( 6.194 1.234 -6.004) 8.714 3.986 ( -4.416 7.092 -4.483) 9.482 4.393 ( 0.624 3.152 1.295) 3.464 4.593 ( -3.508 4.789 0.116) 5.937 4.991 ( 2.270 -0.101 6.525) 6.909 5.051 ( 1.382 10.638 -1.623) 10.850 5.279 ( -2.603 -0.832 -0.374) 2.758 5.526 ( 2.559 1.904 -2.715) 4.189 6.047 ( 2.048 3.518 0.555) 4.109 6.198 ( -4.588 0.883 -0.959) 4.770 6.509 ( 1.677 -5.401 1.090) 5.759 8.328 ( -2.008 1.952 0.264) 2.813 9.120 ( -0.399 -3.155 -0.867) 3.296 9.628 ( 1.695 17.208 -2.138) 17.423 10.288 ( -1.826 -9.070 0.161) 9.254 11.282 ( -4.494 0.020 8.563) 9.671 11.853 ( 3.518 0.625 -7.142) 7.986 12.844 ( 1.161 14.373 -0.161) 14.421 12.960 ( -0.603 7.063 0.399) 7.100 13.363 ( -1.344 -2.197 1.187) 2.836 13.526 ( 3.799 -9.939 -0.420) 10.649 14.459 ( -7.141 5.229 -0.471) 8.863 15.267 ( 6.398 -2.832 -1.224) 7.103 15.780 ( 2.116 -0.495 -0.215) 2.184 16.114 ( -1.309 -0.808 2.427) 2.873 18.216 ( -1.082 -0.813 0.048) 1.354 18.906 ( -1.492 -0.992 -1.108) 2.107 ======================= Grid point 531 (220/481) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -3.685 3.868 3.183) 6.219 2.959 ( -4.820 12.422 4.812) 14.166 3.330 ( 0.978 -0.225 -0.568) 1.153 3.728 ( -4.798 12.157 -3.325) 13.486 3.916 ( 4.611 1.661 -8.717) 10.001 4.309 ( 0.345 5.999 0.710) 6.051 4.470 ( -1.987 7.254 2.026) 7.790 4.781 ( -1.484 15.371 -4.046) 15.964 4.972 ( 3.753 6.116 4.517) 8.480 5.272 ( 1.732 4.747 2.580) 5.673 5.476 ( -1.953 2.304 -0.295) 3.034 5.975 ( 3.760 6.000 -0.571) 7.104 6.167 ( -5.238 -2.029 -3.138) 6.435 6.630 ( 0.031 -6.378 2.808) 6.969 8.275 ( -2.694 1.933 0.845) 3.422 9.164 ( -1.688 -1.256 -2.048) 2.937 9.273 ( 4.712 20.244 -2.493) 20.934 10.376 ( -4.022 -1.489 -0.673) 4.341 11.306 ( -4.198 -2.090 8.954) 10.108 11.832 ( 4.215 1.370 -7.191) 8.447 12.544 ( 0.538 16.790 -0.128) 16.799 12.829 ( 1.306 7.765 0.246) 7.878 13.333 ( -2.246 4.400 0.946) 5.029 13.759 ( 4.400 -12.003 -0.398) 12.790 14.343 ( -8.542 1.129 -0.228) 8.619 15.316 ( 8.606 2.711 -2.363) 9.327 15.828 ( 3.264 -3.644 -0.717) 4.944 16.145 ( -2.231 -2.347 4.869) 5.848 18.224 ( -1.872 -0.684 0.090) 1.995 18.907 ( -2.421 -0.778 -2.466) 3.542 ======================= Grid point 532 (221/481) ======================= q-point: (-0.31 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -5.312 8.553 4.680) 11.103 2.655 ( -7.204 18.204 7.860) 21.096 3.318 ( 1.043 3.242 -2.324) 4.123 3.468 ( -5.245 9.211 -3.870) 11.284 3.856 ( 4.160 4.163 -10.430) 11.976 4.187 ( 0.189 7.230 -0.627) 7.260 4.289 ( 1.012 13.886 3.767) 14.424 4.464 ( -5.186 14.334 -3.189) 15.573 4.832 ( 4.592 12.928 2.526) 13.950 5.102 ( 3.399 14.889 2.859) 15.537 5.433 ( -5.090 0.402 1.589) 5.347 5.865 ( 3.636 7.314 -1.792) 8.362 6.207 ( -1.907 -5.550 -4.060) 7.135 6.772 ( -3.123 -8.364 5.252) 10.358 8.243 ( -2.528 0.340 2.327) 3.453 8.875 ( 2.415 20.611 -3.930) 21.121 9.172 ( 3.832 2.756 -2.144) 5.184 10.291 ( -5.509 7.054 -0.922) 8.998 11.357 ( -5.522 -2.645 9.245) 11.088 11.798 ( 5.741 3.291 -6.515) 9.286 12.272 ( 0.399 10.750 -1.378) 10.845 12.664 ( 2.949 11.300 -0.152) 11.680 13.228 ( -5.023 3.451 0.530) 6.117 14.010 ( 3.854 -12.010 -0.186) 12.614 14.313 ( -6.158 -1.631 0.038) 6.370 15.239 ( 9.735 9.688 -3.792) 14.248 15.952 ( 2.858 -7.588 -0.845) 8.153 16.213 ( -2.734 -4.364 7.728) 9.287 18.213 ( -1.850 0.821 0.064) 2.025 18.883 ( -2.606 0.659 -5.041) 5.713 ======================= Grid point 533 (222/481) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -6.340 21.785 9.465) 24.584 2.335 ( -10.288 14.335 10.900) 20.740 3.157 ( -4.493 8.555 -6.861) 11.851 3.348 ( 1.280 4.328 -3.117) 5.485 3.732 ( 1.451 7.832 -11.744) 14.190 3.977 ( 3.622 20.993 6.075) 22.152 4.024 ( -3.304 10.430 -3.126) 11.379 4.145 ( -6.007 16.448 0.871) 17.532 4.580 ( 4.237 14.906 0.203) 15.497 4.851 ( 5.557 14.138 2.221) 15.352 5.403 ( -5.061 0.419 0.672) 5.123 5.755 ( 2.648 5.150 -0.756) 5.840 6.311 ( 2.515 -6.449 -3.877) 7.934 6.942 ( -6.087 -10.214 7.812) 14.227 8.228 ( -1.265 3.583 2.926) 4.796 8.518 ( 4.055 15.623 -3.005) 16.418 9.106 ( 4.345 6.012 -1.869) 7.650 10.050 ( -5.765 14.705 -0.628) 15.807 11.386 ( -6.765 -0.809 9.301) 11.530 11.723 ( 5.128 5.603 -3.729) 8.462 12.179 ( 2.867 -0.838 -5.655) 6.396 12.469 ( 1.775 9.942 0.755) 10.127 13.165 ( -6.001 0.210 -0.747) 6.051 14.236 ( 2.090 -9.452 -0.241) 9.683 14.301 ( -3.564 0.545 1.603) 3.946 15.072 ( 11.866 11.982 -6.538) 18.086 16.115 ( 0.252 -8.428 -0.157) 8.434 16.337 ( -2.571 -7.661 10.394) 13.165 18.169 ( -0.736 3.040 -0.087) 3.129 18.807 ( -2.445 3.695 -9.524) 10.505 ======================= Grid point 534 (223/481) ======================= q-point: (-0.19 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -5.076 21.632 14.010) 26.268 2.005 ( -14.950 17.243 17.498) 28.757 2.942 ( -6.202 9.647 -9.437) 14.852 3.200 ( 1.701 12.181 -7.019) 14.161 3.362 ( -5.176 30.580 2.952) 31.155 3.649 ( 0.111 12.647 0.932) 12.682 3.745 ( 1.581 14.300 0.314) 14.391 3.888 ( -1.911 9.872 -4.481) 11.009 4.386 ( 3.907 8.331 -0.920) 9.248 4.670 ( 6.395 8.665 -0.703) 10.792 5.356 ( -2.644 1.608 -2.533) 3.999 5.723 ( 0.432 -0.394 3.703) 3.749 6.445 ( 6.631 -6.136 -2.783) 9.453 7.132 ( -7.560 -11.011 10.274) 16.850 7.965 ( 4.115 21.997 -4.180) 22.765 8.464 ( 1.267 -4.406 6.152) 7.672 8.999 ( 3.667 6.984 -0.521) 7.905 9.687 ( -5.048 19.893 0.264) 20.525 11.388 ( -5.649 -0.998 8.808) 10.511 11.655 ( 3.077 2.844 -2.324) 4.791 12.251 ( 2.201 -5.461 -8.261) 10.144 12.355 ( 2.100 2.683 2.789) 4.403 13.127 ( -5.093 0.341 -2.012) 5.486 14.217 ( -1.307 6.726 4.989) 8.476 14.378 ( -1.849 -3.469 -3.681) 5.385 14.931 ( 14.484 6.879 -9.035) 18.405 16.257 ( -2.434 -7.186 1.547) 7.744 16.534 ( -2.783 -10.313 12.487) 16.432 18.095 ( 1.381 4.798 -0.446) 5.012 18.636 ( -3.029 8.707 -16.822) 19.182 ======================= Grid point 535 (224/481) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -3.855 18.768 18.331) 26.517 1.673 ( -14.553 16.275 23.915) 32.382 2.458 ( -15.807 33.153 4.436) 36.996 2.856 ( 2.725 20.393 4.926) 21.156 2.964 ( 1.182 8.956 -10.218) 13.639 3.416 ( -0.548 14.523 -3.039) 14.848 3.499 ( 1.983 13.826 -2.946) 14.274 3.714 ( -4.818 3.657 -3.404) 6.941 4.296 ( 3.434 3.552 -0.207) 4.945 4.623 ( 9.068 -0.362 -5.259) 10.489 5.313 ( -0.228 0.726 -3.483) 3.565 5.783 ( -2.442 -4.271 6.677) 8.294 6.596 ( 9.780 -5.549 -1.098) 11.298 7.325 ( -9.965 -9.029 12.834) 18.589 7.545 ( 10.655 22.580 -5.755) 25.622 8.638 ( 2.531 -9.619 9.494) 13.750 8.900 ( 2.209 5.210 1.268) 5.799 9.287 ( -3.899 19.161 1.312) 19.598 11.452 ( -5.261 -6.862 8.923) 12.426 11.635 ( 2.500 0.283 -3.103) 3.995 12.268 ( -8.913 -1.775 3.921) 9.898 12.463 ( 12.310 -7.088 -6.203) 15.500 13.070 ( -2.999 2.601 -1.761) 4.343 14.077 ( -7.085 7.404 7.879) 12.927 14.267 ( 7.646 14.135 -16.070) 22.727 14.963 ( 8.267 -4.973 -3.803) 10.370 16.367 ( -3.068 -5.541 2.147) 6.688 16.737 ( -2.752 -6.873 14.137) 15.958 18.011 ( 3.888 5.303 -1.565) 6.760 18.314 ( -7.691 15.276 -24.838) 30.157 ======================= Grid point 536 (225/481) ======================= q-point: (-0.06 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -7.547 23.693 18.201) 30.815 1.284 ( -1.914 19.732 21.961) 29.586 1.977 ( -16.630 7.666 32.019) 36.886 2.520 ( 3.684 18.159 4.552) 19.080 2.852 ( -0.159 0.809 -11.416) 11.446 3.099 ( -4.094 13.510 -9.923) 17.256 3.249 ( 2.490 11.871 -0.113) 12.130 3.656 ( -4.615 -0.110 -2.550) 5.273 4.279 ( 1.887 0.591 0.863) 2.157 4.736 ( 13.097 -6.232 -11.396) 18.446 5.300 ( -0.506 -0.482 -3.612) 3.679 5.879 ( -5.301 -5.300 6.842) 10.149 6.746 ( 8.273 -4.494 -0.134) 9.416 7.091 ( -0.819 18.390 -0.312) 18.410 7.598 ( 11.380 -7.566 8.719) 16.210 8.832 ( 7.107 1.426 2.815) 7.776 8.850 ( 0.416 2.848 2.409) 3.753 9.045 ( -0.590 -2.166 5.771) 6.192 11.635 ( -13.381 -8.699 -3.264) 16.291 11.661 ( 6.471 -6.873 2.722) 9.825 12.320 ( -8.189 -9.272 9.776) 15.767 12.665 ( 13.957 -8.698 -3.771) 16.872 12.993 ( -1.299 3.491 -0.345) 3.741 13.781 ( -14.712 26.383 -12.369) 32.642 13.977 ( 21.418 12.863 0.962) 25.002 15.144 ( 0.861 -11.091 -0.051) 11.124 16.438 ( -1.784 -2.738 1.563) 3.623 16.764 ( 0.641 9.723 7.391) 12.230 17.828 ( -12.988 13.259 -18.914) 26.499 17.973 ( -2.961 3.272 -0.898) 4.503 ======================= Grid point 538 (226/481) ======================= q-point: ( 0.06 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 10.613 0.000 13.507) 17.178 1.476 ( 7.827 0.000 27.995) 29.068 2.241 ( 0.174 0.000 29.818) 29.819 2.331 ( 1.493 0.000 -3.877) 4.155 2.768 ( -2.590 -0.000 -0.543) 2.646 2.846 ( 8.180 0.000 -12.128) 14.629 3.164 ( 0.412 0.000 0.072) 0.419 3.561 ( -3.955 -0.000 -2.010) 4.436 4.260 ( -5.066 -0.000 1.229) 5.213 4.807 ( 5.834 0.000 -21.296) 22.080 5.254 ( -3.028 -0.000 0.727) 3.114 5.947 ( 1.764 0.000 5.324) 5.608 6.799 ( -13.157 -0.000 0.670) 13.174 6.826 ( -2.219 -0.000 -0.047) 2.219 7.984 ( 13.117 0.000 -1.737) 13.231 8.772 ( 0.142 0.000 -0.031) 0.146 8.916 ( 5.951 0.000 0.820) 6.007 9.298 ( 9.336 0.000 -3.533) 9.982 11.413 ( -14.423 -0.000 -0.610) 14.436 11.771 ( 0.275 0.000 -0.029) 0.277 12.410 ( -12.839 -0.000 3.394) 13.280 12.934 ( -16.213 -0.000 3.141) 16.515 12.943 ( -0.378 -0.000 0.286) 0.474 13.053 ( 0.538 0.000 -0.225) 0.583 14.538 ( 54.331 0.000 -16.070) 56.658 15.323 ( 6.363 0.000 0.345) 6.372 16.451 ( -0.092 -0.000 -0.016) 0.093 16.601 ( 2.310 0.000 0.584) 2.382 17.342 ( -22.684 -0.000 10.432) 24.968 17.943 ( 0.080 0.000 -0.012) 0.081 ======================= Grid point 539 (227/481) ======================= q-point: ( 0.12 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 9.965 -25.760 11.558) 29.941 1.672 ( 2.462 -5.684 26.814) 27.520 2.166 ( 8.014 -1.129 3.851) 8.963 2.675 ( 0.318 -19.128 -6.154) 20.096 2.819 ( 2.983 -6.475 1.816) 7.357 2.973 ( 7.763 -11.523 2.949) 14.204 3.280 ( -0.516 -11.723 0.395) 11.741 3.536 ( -3.804 -0.562 -0.448) 3.871 4.227 ( -7.068 -0.060 0.948) 7.131 4.713 ( 5.787 4.908 -18.973) 20.434 5.232 ( -4.263 0.381 0.352) 4.294 5.939 ( 3.740 3.783 4.432) 6.924 6.670 ( -12.714 3.401 -1.327) 13.228 6.966 ( -6.691 -13.578 1.578) 15.219 7.975 ( 10.197 5.898 -2.747) 12.096 8.884 ( 0.818 -9.541 -0.197) 9.578 8.965 ( 5.793 -1.185 -1.025) 6.001 9.204 ( 6.754 10.783 2.083) 12.893 11.318 ( -9.266 2.122 4.360) 10.458 11.741 ( -1.178 2.433 -1.114) 2.924 12.222 ( -14.823 8.084 5.734) 17.831 12.769 ( 2.344 6.820 -2.031) 7.492 12.982 ( 1.035 -2.417 -0.157) 2.634 13.289 ( -10.822 -19.026 0.821) 21.904 14.786 ( 38.810 -0.799 -17.679) 42.655 15.154 ( 1.515 14.235 0.262) 14.318 16.499 ( 7.055 3.564 0.781) 7.942 16.909 ( 2.640 -20.251 6.973) 21.580 17.248 ( -20.505 -7.071 -0.862) 21.707 17.987 ( 1.976 -4.583 -0.608) 5.028 ======================= Grid point 540 (228/481) ======================= q-point: ( 0.19 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -5.580 -6.160 20.280) 21.917 2.003 ( 11.436 -20.179 12.052) 26.139 2.520 ( 15.668 -24.651 -2.828) 29.345 2.842 ( 5.385 -6.191 -10.314) 13.179 3.110 ( -3.614 -19.246 -1.402) 19.632 3.301 ( 3.674 -12.017 -1.963) 12.718 3.547 ( -3.352 -12.621 1.385) 13.132 3.640 ( 5.083 -17.298 10.911) 21.074 4.202 ( -8.316 -2.265 0.349) 8.626 4.616 ( 6.864 2.207 -15.399) 17.003 5.198 ( -5.975 0.009 0.568) 6.002 5.897 ( 3.787 4.039 2.647) 6.137 6.517 ( -12.824 4.108 -2.504) 13.697 7.192 ( -5.745 -10.883 4.346) 13.051 7.926 ( 7.477 1.635 -4.206) 8.733 8.866 ( 6.654 12.707 1.565) 14.429 9.043 ( 3.036 -2.900 -1.272) 4.387 9.275 ( 0.777 -15.973 2.847) 16.243 11.275 ( -4.989 0.286 6.963) 8.570 11.690 ( -2.096 0.465 -1.758) 2.775 12.045 ( -12.224 3.448 1.651) 12.808 12.652 ( 4.274 7.566 -2.216) 8.968 13.031 ( 4.413 -1.538 -0.618) 4.714 13.626 ( -8.612 -21.934 2.424) 23.688 14.757 ( 13.306 15.677 -3.611) 20.877 15.066 ( 6.111 -4.908 -12.056) 14.380 16.413 ( 4.995 9.519 1.944) 10.925 16.881 ( -10.408 12.345 15.558) 22.422 17.626 ( -4.777 -27.625 -10.426) 29.911 18.148 ( 8.024 -10.553 -3.540) 13.721 ======================= Grid point 541 (229/481) ======================= q-point: ( 0.25 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -2.258 -12.679 11.649) 17.365 2.463 ( 13.206 -16.999 11.294) 24.308 2.968 ( 6.514 -8.874 -6.008) 12.541 3.067 ( 10.312 -22.135 -4.386) 24.810 3.321 ( -0.438 -3.390 -4.544) 5.686 3.506 ( -2.859 -16.360 -3.131) 16.900 3.808 ( -3.262 -15.922 0.614) 16.265 4.145 ( 6.634 -21.863 9.974) 24.929 4.246 ( -6.083 -9.722 -0.096) 11.469 4.635 ( 5.285 -5.194 -9.590) 12.119 5.178 ( -6.304 -1.750 1.262) 6.663 5.856 ( 2.486 2.668 0.691) 3.712 6.361 ( -11.090 3.854 -3.271) 12.188 7.255 ( 1.377 4.851 5.899) 7.761 8.040 ( 0.323 -12.828 -3.571) 13.320 8.668 ( 6.757 11.992 1.609) 13.859 9.102 ( 0.761 -3.020 -3.217) 4.478 9.633 ( 0.881 -18.878 1.864) 18.991 11.280 ( -3.840 -0.679 7.235) 8.219 11.719 ( -1.108 -5.530 -0.495) 5.662 11.972 ( -7.090 -1.780 -2.502) 7.726 12.523 ( 0.158 6.171 -1.386) 6.327 13.096 ( 8.121 -1.646 0.034) 8.286 13.986 ( -4.354 -18.555 2.101) 19.174 14.499 ( 1.981 14.827 -0.300) 14.961 15.171 ( 4.898 -6.305 -13.000) 15.257 16.227 ( 0.258 12.482 3.726) 13.029 16.631 ( -8.233 12.054 9.947) 17.664 17.959 ( -3.507 -13.776 -2.680) 14.466 18.427 ( 10.752 -13.243 -5.966) 18.072 ======================= Grid point 542 (230/481) ======================= q-point: ( 0.31 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 1.544 -13.633 5.977) 14.965 2.845 ( 11.618 -11.847 10.217) 19.487 3.148 ( -0.121 -8.515 -2.831) 8.974 3.345 ( 0.977 -7.240 -8.939) 11.545 3.473 ( 11.241 -12.780 -3.178) 17.315 3.758 ( -0.861 -11.900 -1.513) 12.027 4.077 ( -1.782 -14.205 0.038) 14.316 4.363 ( -5.667 -11.916 0.187) 13.197 4.671 ( 4.828 -21.475 3.158) 22.237 4.782 ( 0.794 -9.444 -1.462) 9.590 5.213 ( -5.018 -5.130 2.030) 7.457 5.839 ( 0.794 -0.122 -0.752) 1.100 6.232 ( -8.165 2.568 -3.586) 9.280 7.113 ( 5.753 13.081 4.690) 15.040 8.310 ( -2.851 -13.017 1.963) 13.469 8.546 ( 6.984 1.964 -3.193) 7.926 9.139 ( -1.465 -2.279 -3.654) 4.549 9.967 ( 1.968 -14.840 1.566) 15.051 11.295 ( -4.379 -0.896 6.818) 8.152 11.874 ( 1.455 -9.681 -0.107) 9.790 11.989 ( -1.666 -3.200 -4.252) 5.576 12.466 ( -4.430 -3.496 -0.176) 5.646 13.186 ( 8.779 -2.628 0.463) 9.176 14.200 ( -3.029 7.143 -0.093) 7.760 14.280 ( 1.870 -3.115 0.690) 3.698 15.265 ( 0.234 -6.233 -10.358) 12.091 16.002 ( -3.406 11.002 4.123) 12.233 16.418 ( -5.215 9.440 6.810) 12.755 18.128 ( -0.612 -6.786 -0.435) 6.827 18.677 ( 8.851 -8.692 -4.291) 13.126 ======================= Grid point 543 (231/481) ======================= q-point: ( 0.38 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 2.613 -8.310 3.110) 9.250 3.113 ( 7.321 -7.988 7.212) 13.016 3.209 ( -2.794 -1.510 0.272) 3.187 3.560 ( 3.831 -14.915 -9.072) 17.873 3.700 ( 9.664 -7.235 -6.779) 13.845 3.957 ( 0.453 -9.958 2.769) 10.346 4.323 ( 0.048 -12.402 1.392) 12.480 4.575 ( -2.958 -12.580 -1.689) 13.033 4.876 ( -5.403 -5.755 -0.440) 7.906 5.099 ( 2.762 -16.941 4.032) 17.631 5.309 ( -3.677 -6.054 1.407) 7.221 5.874 ( -0.414 -3.887 -0.987) 4.032 6.154 ( -4.579 0.251 -3.393) 5.704 6.893 ( 5.952 15.083 3.434) 16.574 8.359 ( 3.775 3.377 2.242) 5.539 8.779 ( 0.588 -19.821 -2.949) 20.048 9.146 ( -1.907 -0.685 -2.735) 3.404 10.209 ( 3.015 -8.694 1.370) 9.304 11.307 ( -5.288 -0.788 7.046) 8.845 11.919 ( 4.024 3.137 -6.517) 8.277 12.173 ( -1.353 -16.182 1.234) 16.285 12.613 ( -3.465 -12.820 0.189) 13.282 13.296 ( 6.228 -4.163 0.321) 7.498 13.937 ( -4.433 13.548 0.021) 14.255 14.395 ( 6.423 -2.344 -0.428) 6.851 15.321 ( -4.453 -3.446 -6.584) 8.664 15.833 ( -3.872 5.463 2.115) 7.022 16.263 ( -3.207 6.571 5.365) 9.069 18.213 ( 0.837 -2.472 -0.012) 2.610 18.826 ( 6.874 -3.788 -2.374) 8.201 ======================= Grid point 544 (232/481) ======================= q-point: ( 0.44 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 1.918 -3.515 2.554) 4.749 3.196 ( -0.949 -0.375 -0.853) 1.330 3.299 ( 1.997 -4.626 6.294) 8.062 3.775 ( 9.761 -5.333 -9.385) 14.553 3.877 ( 0.809 -11.864 -5.486) 13.096 4.155 ( 2.847 -8.559 4.442) 10.054 4.549 ( 0.744 -10.664 3.358) 11.205 4.721 ( -2.232 -4.021 -3.870) 6.010 4.970 ( -5.995 -8.952 3.222) 11.245 5.358 ( 1.715 -5.279 3.149) 6.382 5.381 ( -4.963 -6.849 -2.804) 8.911 5.963 ( -0.608 -5.601 -0.221) 5.638 6.156 ( -0.476 -3.186 -2.421) 4.029 6.654 ( 3.618 14.072 2.664) 14.772 8.343 ( 4.584 1.294 0.751) 4.822 9.100 ( -7.834 -4.915 -1.107) 9.315 9.188 ( 6.231 -15.133 -1.150) 16.406 10.325 ( 3.074 -1.018 0.933) 3.369 11.307 ( -6.033 -0.125 7.680) 9.767 11.870 ( 4.764 1.812 -6.975) 8.639 12.497 ( -1.292 -18.094 0.790) 18.157 12.834 ( -0.616 -10.959 -0.083) 10.977 13.399 ( 2.615 -3.146 0.236) 4.098 13.666 ( -4.403 12.374 0.174) 13.135 14.462 ( 8.523 -1.286 -0.594) 8.640 15.290 ( -6.879 1.184 -2.944) 7.575 15.766 ( -2.667 0.589 -0.106) 2.733 16.170 ( -1.745 3.604 3.781) 5.507 18.237 ( 0.852 0.226 0.001) 0.881 18.893 ( 5.064 -0.585 -1.140) 5.223 ======================= Grid point 545 (233/481) ======================= q-point: ( 0.50 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 0.747 -1.184 2.687) 3.029 3.195 ( -0.168 -0.280 -0.536) 0.628 3.368 ( -0.636 -0.551 4.351) 4.431 3.862 ( 8.674 -2.116 -7.011) 11.352 4.045 ( -0.847 -6.623 -5.108) 8.407 4.326 ( 3.238 -5.978 3.463) 7.630 4.702 ( -4.972 0.893 -2.381) 5.585 4.757 ( 0.985 -9.278 5.127) 10.646 5.116 ( -1.916 -5.448 4.814) 7.519 5.373 ( -3.391 -0.312 -4.296) 5.482 5.473 ( -0.169 -3.413 -2.424) 4.190 6.052 ( -0.241 -3.577 0.737) 3.660 6.239 ( 2.808 -4.291 -1.431) 5.324 6.447 ( 0.004 9.019 2.435) 9.342 8.360 ( 3.782 0.136 0.404) 3.806 9.070 ( -4.966 0.542 -0.416) 5.013 9.560 ( 3.229 -18.288 -0.426) 18.575 10.285 ( 1.890 6.732 0.445) 7.006 11.297 ( -5.782 0.165 8.065) 9.925 11.859 ( 5.103 0.237 -7.118) 8.762 12.813 ( -1.215 -15.347 0.306) 15.398 13.005 ( 0.790 -7.307 -0.448) 7.363 13.391 ( -2.209 6.440 1.494) 6.970 13.463 ( 0.276 5.395 -0.556) 5.431 14.543 ( 5.734 -2.008 -0.634) 6.108 15.210 ( -5.067 1.603 -1.128) 5.433 15.758 ( -1.375 -0.831 -0.212) 1.621 16.127 ( -0.827 1.492 1.969) 2.605 18.224 ( 0.016 1.087 -0.045) 1.088 18.909 ( 3.149 0.847 -0.545) 3.306 ======================= Grid point 546 (234/481) ======================= q-point: (-0.44 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -0.829 0.302 2.513) 2.663 3.195 ( 0.440 0.818 -0.081) 0.932 3.355 ( -1.925 1.902 3.239) 4.220 3.916 ( 7.216 -1.052 -6.323) 9.652 4.062 ( -1.071 2.664 -3.386) 4.439 4.419 ( 1.493 -1.249 1.254) 2.316 4.636 ( -4.618 2.412 -0.239) 5.215 4.946 ( 0.990 -7.634 6.090) 9.815 5.166 ( -0.480 0.395 5.231) 5.268 5.282 ( -4.190 5.286 -6.384) 9.287 5.530 ( 2.395 -2.617 -3.939) 5.301 6.091 ( 0.873 -0.117 1.190) 1.481 6.234 ( -1.187 4.662 0.433) 4.830 6.423 ( 1.436 -4.546 0.169) 4.770 8.365 ( 2.228 1.766 0.398) 2.871 9.049 ( -5.146 -1.950 -0.466) 5.523 9.823 ( 4.179 -2.970 -1.706) 5.403 10.163 ( -0.807 1.904 0.746) 2.199 11.289 ( -4.964 0.301 8.368) 9.734 11.859 ( 4.369 0.368 -7.119) 8.361 12.995 ( -0.193 -1.603 0.094) 1.617 13.071 ( 0.402 2.702 -0.465) 2.771 13.291 ( -2.572 -1.004 1.754) 3.271 13.427 ( 3.360 -1.548 -0.483) 3.731 14.532 ( -2.404 4.873 -0.586) 5.465 15.216 ( 1.568 -4.006 -0.704) 4.359 15.774 ( 0.228 -1.099 0.042) 1.124 16.111 ( -0.766 0.386 1.333) 1.585 18.205 ( -1.109 0.440 -0.040) 1.194 18.902 ( 1.239 0.929 -0.543) 1.641 ======================= Grid point 547 (235/481) ======================= q-point: (-0.38 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -2.305 1.859 2.244) 3.715 3.134 ( -1.631 6.638 2.545) 7.294 3.329 ( -0.373 0.238 0.889) 0.993 3.912 ( -2.586 7.199 -5.390) 9.357 3.948 ( 7.506 3.535 -4.101) 9.255 4.397 ( -0.552 3.632 -0.710) 3.742 4.561 ( -3.193 3.556 2.289) 5.299 5.019 ( -1.409 9.641 -2.118) 9.971 5.069 ( 2.578 2.689 3.570) 5.160 5.248 ( -4.112 -4.415 2.365) 6.480 5.540 ( 3.128 2.200 -2.479) 4.557 6.080 ( 2.717 2.818 0.489) 3.945 6.143 ( -3.831 2.894 -0.202) 4.805 6.527 ( 0.790 -5.330 -0.354) 5.400 8.321 ( 0.498 3.479 0.444) 3.542 9.080 ( -4.775 -4.263 -1.185) 6.510 9.650 ( 4.277 17.540 -2.559) 18.234 10.265 ( -2.227 -7.751 -0.056) 8.065 11.290 ( -4.150 -0.422 8.756) 9.699 11.848 ( 3.837 0.722 -7.026) 8.038 12.858 ( 1.394 14.621 -0.289) 14.690 12.957 ( -0.645 6.234 0.580) 6.294 13.357 ( -1.222 -2.548 1.321) 3.119 13.572 ( 4.518 -10.116 -0.642) 11.098 14.370 ( -7.543 7.082 -0.291) 10.350 15.330 ( 5.941 -4.585 -1.365) 7.627 15.801 ( 1.783 -1.326 -0.247) 2.236 16.114 ( -1.698 -0.917 2.560) 3.205 18.198 ( -2.032 -0.572 0.010) 2.111 18.888 ( -0.242 0.489 -1.226) 1.342 ======================= Grid point 548 (236/481) ======================= q-point: (-0.31 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -3.348 4.288 2.649) 6.051 2.943 ( -3.812 13.246 5.721) 14.924 3.339 ( 1.198 -0.606 -1.150) 1.768 3.668 ( -1.988 13.944 -2.469) 14.300 3.917 ( 5.524 3.212 -8.769) 10.850 4.292 ( -1.901 5.877 -2.420) 6.634 4.476 ( -1.631 5.406 4.390) 7.152 4.732 ( -1.417 16.242 -3.580) 16.692 5.041 ( 3.187 5.808 4.034) 7.756 5.277 ( -3.773 1.345 1.553) 4.296 5.474 ( 1.548 5.775 0.473) 5.997 6.011 ( 3.023 6.038 -0.896) 6.812 6.112 ( -1.602 -2.056 -0.564) 2.667 6.628 ( -2.329 -6.168 0.479) 6.610 8.263 ( -0.518 2.506 0.976) 2.739 9.104 ( -4.286 0.848 -2.953) 5.274 9.325 ( 5.781 16.406 -2.354) 17.553 10.325 ( -3.622 -0.195 -0.922) 3.743 11.318 ( -4.045 -1.776 8.905) 9.941 11.836 ( 4.591 0.602 -6.857) 8.274 12.549 ( 0.620 17.349 -0.409) 17.365 12.843 ( 0.844 6.690 0.142) 6.745 13.317 ( -1.732 6.059 1.115) 6.399 13.808 ( 4.447 -11.937 -0.469) 12.747 14.247 ( -7.762 0.424 -0.040) 7.773 15.396 ( 7.832 2.072 -2.615) 8.513 15.857 ( 2.285 -3.940 -0.416) 4.574 16.148 ( -2.946 -2.949 5.034) 6.536 18.199 ( -2.370 -0.719 0.052) 2.478 18.870 ( -0.950 0.606 -2.843) 3.058 ======================= Grid point 549 (237/481) ======================= q-point: (-0.25 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -5.197 8.946 5.457) 11.697 2.643 ( -4.177 18.456 8.255) 20.645 3.321 ( 2.218 7.239 -2.242) 7.896 3.404 ( -1.948 7.421 -3.033) 8.250 3.826 ( 3.323 5.700 -11.729) 13.457 4.148 ( -2.255 7.022 -3.919) 8.352 4.354 ( -2.475 8.909 4.988) 10.506 4.392 ( 1.106 18.745 -0.217) 18.779 4.893 ( 2.944 13.613 2.113) 14.087 5.133 ( -0.435 12.142 0.609) 12.165 5.390 ( -3.912 1.876 1.560) 4.611 5.892 ( 3.050 7.651 -1.737) 8.417 6.200 ( 3.366 -6.292 -0.185) 7.138 6.745 ( -6.088 -8.565 2.729) 10.857 8.241 ( -0.633 0.033 2.424) 2.505 8.864 ( 0.857 18.080 -4.881) 18.747 9.204 ( 3.497 3.058 -1.647) 4.929 10.226 ( -4.413 7.683 -1.025) 8.919 11.355 ( -5.369 -1.600 9.051) 10.644 11.827 ( 6.280 2.143 -6.120) 9.027 12.265 ( 0.094 11.278 -1.767) 11.416 12.689 ( 1.645 10.784 -0.372) 10.915 13.179 ( -3.795 5.311 0.365) 6.538 14.051 ( 3.218 -11.294 -0.074) 11.744 14.249 ( -4.915 -3.403 0.288) 5.985 15.323 ( 9.121 9.212 -4.084) 13.592 15.973 ( 1.159 -7.013 -0.148) 7.110 16.228 ( -3.555 -5.515 7.791) 10.186 18.191 ( -1.946 0.383 0.055) 1.984 18.826 ( -0.934 2.245 -5.835) 6.321 ======================= Grid point 550 (238/481) ======================= q-point: (-0.19 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -8.468 19.759 16.491) 27.094 2.311 ( -3.111 16.533 6.672) 18.098 3.086 ( 0.195 12.055 -6.167) 13.542 3.343 ( 1.474 3.551 -3.733) 5.359 3.648 ( -1.266 10.300 -12.761) 16.448 3.962 ( -1.245 11.500 -3.952) 12.224 4.051 ( 0.864 16.979 0.839) 17.022 4.129 ( 0.241 17.391 8.546) 19.379 4.612 ( 1.477 15.144 -0.693) 15.232 4.898 ( 1.737 12.468 -1.032) 12.631 5.352 ( -4.660 0.553 1.111) 4.823 5.778 ( 2.215 4.925 -0.625) 5.437 6.358 ( 7.478 -6.825 -0.242) 10.127 6.902 ( -8.290 -11.198 6.079) 15.201 8.245 ( 0.490 3.488 2.999) 4.626 8.530 ( 2.069 13.481 -3.844) 14.170 9.142 ( 3.616 5.497 -1.248) 6.697 9.988 ( -4.231 14.649 -0.421) 15.254 11.368 ( -7.018 -0.413 9.336) 11.687 11.765 ( 5.996 6.030 -3.491) 9.192 12.164 ( 1.379 -1.078 -6.226) 6.467 12.489 ( 0.958 9.780 0.956) 9.874 13.099 ( -3.996 1.075 -1.484) 4.396 14.251 ( 0.617 -8.249 -0.132) 8.273 14.275 ( -2.592 -0.549 1.779) 3.191 15.163 ( 11.452 11.164 -6.993) 17.455 16.112 ( -1.401 -7.451 0.904) 7.635 16.372 ( -3.406 -8.928 10.555) 14.238 18.159 ( -0.929 2.139 0.030) 2.332 18.720 ( -0.677 6.172 -10.906) 12.550 ======================= Grid point 551 (239/481) ======================= q-point: (-0.12 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -2.739 19.249 18.785) 27.035 1.973 ( -9.905 18.565 16.999) 27.050 2.840 ( -0.385 13.913 -8.859) 16.498 3.136 ( -1.300 17.374 -9.848) 20.013 3.370 ( 1.910 16.735 1.420) 16.903 3.654 ( 0.867 16.880 -0.592) 16.913 3.781 ( 2.736 14.438 1.266) 14.749 3.839 ( -3.155 13.345 0.227) 13.715 4.405 ( 0.704 7.459 -1.578) 7.657 4.704 ( 3.293 7.392 -5.395) 9.726 5.317 ( -2.987 0.886 0.019) 3.116 5.747 ( 0.620 -0.311 2.337) 2.438 6.530 ( 8.048 -6.570 -0.343) 10.395 7.106 ( -7.355 -12.382 9.693) 17.360 7.992 ( 5.213 20.956 -4.412) 22.040 8.508 ( -0.047 -6.548 5.470) 8.533 9.041 ( 3.617 6.873 0.058) 7.767 9.641 ( -3.357 19.429 0.640) 19.727 11.365 ( -8.310 -1.321 8.977) 12.304 11.691 ( 5.309 3.654 -2.565) 6.936 12.198 ( -2.945 -2.424 -4.609) 5.983 12.410 ( 5.324 -0.999 -0.473) 5.437 13.064 ( -3.008 0.137 -2.650) 4.011 14.190 ( -8.769 7.544 4.977) 12.592 14.373 ( 4.924 -2.892 -3.657) 6.781 15.033 ( 13.799 6.651 -9.849) 18.212 16.239 ( -2.756 -6.967 2.049) 7.767 16.584 ( -3.792 -11.123 13.826) 18.145 18.102 ( -0.125 3.541 0.032) 3.543 18.491 ( -1.122 13.260 -18.540) 22.821 ======================= Grid point 552 (240/481) ======================= q-point: (-0.06 0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 0.188 19.375 18.820) 27.011 1.703 ( -9.241 13.047 26.663) 31.089 2.363 ( -3.540 30.190 1.375) 30.427 2.868 ( 3.808 6.546 -10.967) 13.328 3.010 ( 6.680 24.417 7.717) 26.465 3.345 ( -4.160 16.966 -6.948) 18.800 3.523 ( 2.311 14.961 0.225) 15.140 3.643 ( -4.581 3.603 -1.166) 5.944 4.311 ( -0.761 2.666 -0.174) 2.778 4.660 ( 7.010 -2.481 -11.392) 13.604 5.289 ( -2.292 0.445 -0.088) 2.336 5.797 ( -0.569 -3.469 4.398) 5.630 6.682 ( 3.686 -5.791 -0.561) 6.888 7.276 ( -10.244 -1.278 9.781) 14.221 7.673 ( 16.300 10.637 -4.725) 20.028 8.715 ( 0.922 -12.126 8.299) 14.723 8.947 ( 4.119 5.326 1.379) 6.873 9.261 ( -2.210 18.577 1.678) 18.783 11.395 ( -11.539 -5.097 7.081) 14.467 11.681 ( 6.111 -0.014 -2.209) 6.498 12.199 ( -7.484 -2.764 4.381) 9.102 12.551 ( 8.951 -8.407 -4.985) 13.254 13.031 ( -1.534 1.400 -2.125) 2.971 13.920 ( -18.894 13.838 3.008) 23.613 14.392 ( 22.264 6.466 -9.844) 25.187 15.023 ( 7.622 -1.835 -5.949) 9.841 16.353 ( -1.490 -5.768 2.012) 6.288 16.806 ( -3.571 -7.914 16.794) 18.905 18.018 ( -8.189 7.344 -4.959) 12.066 18.076 ( 2.770 19.169 -20.143) 27.944 ======================= Grid point 555 (241/481) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 16.665 0.000 9.408) 19.138 1.750 ( 5.591 0.000 27.282) 27.849 2.299 ( -1.427 -0.000 -5.676) 5.852 2.377 ( 8.665 0.000 -2.691) 9.073 2.767 ( 1.133 0.000 2.715) 2.942 2.966 ( 14.031 0.000 8.930) 16.632 3.153 ( -1.664 -0.000 -1.210) 2.058 3.509 ( -3.790 -0.000 0.426) 3.813 4.185 ( -9.151 -0.000 1.251) 9.236 4.726 ( 4.638 0.000 -19.386) 19.933 5.214 ( -3.801 -0.000 -1.373) 4.042 6.023 ( 4.572 0.000 4.931) 6.725 6.615 ( -17.272 -0.000 -1.146) 17.310 6.788 ( -4.160 -0.000 -0.036) 4.160 8.068 ( 4.231 0.000 -1.942) 4.655 8.773 ( 0.126 0.000 -0.095) 0.158 8.988 ( 7.310 0.000 -3.253) 8.001 9.371 ( 7.417 0.000 -3.554) 8.224 11.306 ( -6.639 -0.000 4.983) 8.301 11.758 ( -1.645 -0.000 -1.040) 1.946 12.214 ( -24.273 -0.000 4.171) 24.628 12.847 ( -1.759 -0.000 0.285) 1.782 12.941 ( -0.430 -0.000 0.346) 0.552 13.059 ( 0.808 0.000 -0.256) 0.847 14.884 ( 22.804 0.000 -16.884) 28.375 15.487 ( 24.481 0.000 -6.266) 25.270 16.449 ( -0.163 -0.000 -0.008) 0.163 16.657 ( 7.429 0.000 0.679) 7.460 17.190 ( -18.432 -0.000 16.023) 24.422 17.944 ( 0.121 0.000 -0.023) 0.124 ======================= Grid point 556 (242/481) ======================= q-point: ( 0.19 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 15.209 -23.888 8.042) 29.438 1.828 ( -3.598 1.526 20.770) 21.135 2.303 ( 15.041 -7.749 -3.100) 17.202 2.603 ( 1.241 -14.585 -12.258) 19.093 2.871 ( 3.718 -7.681 4.087) 9.462 3.134 ( 8.185 -6.932 3.651) 11.330 3.287 ( 1.344 -13.269 3.038) 13.679 3.515 ( -0.929 -3.089 6.653) 7.394 4.130 ( -10.751 -0.140 1.374) 10.839 4.661 ( 6.752 3.053 -17.660) 19.152 5.173 ( -5.210 0.879 -1.723) 5.557 6.014 ( 3.518 4.486 3.978) 6.952 6.487 ( -15.322 2.236 -2.264) 15.649 6.903 ( -5.970 -13.288 1.073) 14.607 8.028 ( 2.465 4.647 -2.244) 5.719 8.889 ( 0.382 -10.678 -0.351) 10.691 9.016 ( 6.507 0.042 -5.842) 8.745 9.291 ( 6.369 9.553 1.243) 11.548 11.288 ( -2.760 0.864 7.199) 7.758 11.707 ( -2.462 2.977 -2.013) 4.357 12.034 ( -21.195 3.886 2.975) 21.753 12.792 ( 2.569 5.257 -0.856) 5.914 13.003 ( 2.717 -4.106 0.236) 4.929 13.214 ( -4.072 -15.959 0.969) 16.499 14.962 ( 10.507 -3.624 -14.922) 18.607 15.239 ( 14.307 25.721 -3.365) 29.624 16.618 ( 12.969 5.355 -1.134) 14.077 16.959 ( -0.165 -34.974 -5.192) 35.357 17.066 ( -14.347 8.404 16.626) 23.513 18.013 ( 3.191 -6.868 -0.575) 7.595 ======================= Grid point 557 (243/481) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -2.346 -5.415 11.635) 13.046 2.229 ( 14.999 -21.140 9.066) 27.460 2.694 ( 15.072 -22.171 -3.073) 26.984 2.816 ( 2.858 -10.751 -9.217) 14.447 3.113 ( 3.460 -14.045 3.505) 14.884 3.288 ( -1.424 -6.165 -3.911) 7.438 3.506 ( -4.567 -12.826 0.398) 13.621 3.821 ( 10.563 -19.900 13.107) 26.065 4.094 ( -11.044 -2.781 1.444) 11.479 4.604 ( 8.192 1.186 -14.694) 16.865 5.123 ( -6.581 -0.128 -0.841) 6.636 5.946 ( 1.103 4.824 2.119) 5.383 6.350 ( -11.728 3.015 -2.375) 12.340 7.152 ( -5.449 -14.057 3.160) 15.404 7.951 ( 1.563 2.476 -3.235) 4.363 8.946 ( 7.798 9.809 -3.964) 13.143 9.056 ( 1.717 -2.152 -2.965) 4.046 9.313 ( 1.965 -13.112 3.838) 13.803 11.291 ( -0.765 0.606 7.682) 7.744 11.650 ( -2.553 -0.342 -1.729) 3.102 11.891 ( -14.823 0.347 0.604) 14.840 12.667 ( 0.012 8.323 -0.912) 8.373 13.105 ( 8.161 -3.150 0.247) 8.752 13.567 ( -4.508 -22.380 2.141) 22.929 14.847 ( 4.838 20.696 -0.803) 21.269 15.040 ( 4.712 -5.079 -14.498) 16.069 16.501 ( 8.293 12.642 0.682) 15.135 16.832 ( -12.938 11.707 11.289) 20.782 17.547 ( -1.391 -26.613 -3.527) 26.881 18.233 ( 9.903 -12.431 -2.112) 16.033 ======================= Grid point 558 (244/481) ======================= q-point: ( 0.31 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 2.554 -12.856 6.615) 14.682 2.694 ( 15.009 -16.285 8.505) 23.724 2.976 ( 2.116 -8.905 -5.285) 10.569 3.160 ( 7.965 -15.529 -5.088) 18.179 3.304 ( 2.770 -7.037 -2.553) 7.982 3.487 ( 0.630 -16.054 2.434) 16.250 3.770 ( -3.090 -16.515 -0.181) 16.802 4.133 ( -9.314 -7.885 2.069) 12.377 4.312 ( 8.147 -21.668 5.393) 23.769 4.636 ( 4.881 -4.934 -8.725) 11.149 5.109 ( -6.433 -2.794 0.695) 7.048 5.873 ( -0.985 3.143 0.318) 3.309 6.230 ( -7.234 3.045 -1.756) 8.043 7.295 ( -0.149 0.202 4.118) 4.126 8.006 ( -2.408 -11.185 -2.743) 11.766 8.762 ( 8.927 12.192 -1.428) 15.179 9.075 ( -0.554 -1.743 -5.246) 5.556 9.662 ( 1.546 -18.867 2.897) 19.150 11.298 ( -1.181 0.711 6.529) 6.673 11.709 ( -0.789 -7.206 0.852) 7.299 11.867 ( -8.082 -5.166 -2.038) 9.806 12.496 ( -3.364 7.612 -0.842) 8.364 13.210 ( 10.583 -1.859 0.742) 10.771 13.960 ( -2.269 -19.802 1.526) 19.990 14.511 ( 0.559 16.878 -0.394) 16.892 15.112 ( -0.083 -6.039 -12.670) 14.036 16.266 ( 2.559 15.737 3.002) 16.224 16.587 ( -9.061 10.353 7.240) 15.547 17.913 ( -2.178 -15.396 -1.164) 15.593 18.529 ( 11.566 -11.955 -2.705) 16.853 ======================= Grid point 559 (245/481) ======================= q-point: ( 0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 4.606 -12.857 3.620) 14.129 3.038 ( 10.537 -8.672 7.237) 15.447 3.134 ( -0.207 -6.463 -0.190) 6.469 3.302 ( 1.999 -10.015 -7.981) 12.961 3.572 ( 9.951 -11.355 -4.929) 15.882 3.768 ( 1.881 -12.138 3.641) 12.811 4.057 ( -1.132 -15.418 -0.818) 15.481 4.294 ( -6.682 -13.273 1.123) 14.902 4.710 ( 2.257 -11.153 -5.167) 12.497 4.788 ( -0.653 -15.746 2.829) 16.011 5.170 ( -4.789 -6.459 3.064) 8.605 5.834 ( -1.256 -0.121 -0.795) 1.491 6.145 ( -3.383 2.175 -1.035) 4.153 7.189 ( 3.370 11.541 2.323) 12.245 8.280 ( -4.025 -17.194 1.335) 17.709 8.623 ( 9.511 5.972 -3.049) 11.637 9.086 ( -2.619 -2.352 -4.981) 6.099 10.008 ( 2.600 -15.117 2.737) 15.581 11.297 ( -2.761 0.306 6.328) 6.911 11.895 ( 1.365 -10.861 1.401) 11.036 11.943 ( -1.524 -5.085 -4.105) 6.711 12.403 ( -6.280 -3.374 0.046) 7.129 13.299 ( 9.689 -1.108 0.622) 9.772 14.159 ( -3.957 9.152 -0.058) 9.971 14.313 ( 3.339 -6.200 -0.022) 7.042 15.179 ( -3.370 -5.980 -9.717) 11.897 15.999 ( -1.459 13.233 3.270) 13.709 16.393 ( -5.786 7.958 5.142) 11.101 18.118 ( -0.616 -8.109 -0.222) 8.135 18.765 ( 9.649 -7.211 -1.891) 12.193 ======================= Grid point 560 (246/481) ======================= q-point: ( 0.44 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 3.553 -7.236 2.573) 8.462 3.173 ( -1.064 -1.113 -0.753) 1.714 3.235 ( 3.658 -6.005 5.539) 8.951 3.573 ( 6.475 -15.068 -4.630) 17.041 3.753 ( 8.813 -5.385 -8.617) 13.451 4.008 ( 3.322 -10.425 5.589) 12.286 4.329 ( -0.143 -13.840 0.490) 13.850 4.529 ( -3.329 -13.682 -1.409) 14.151 4.794 ( -7.782 -5.304 -1.253) 9.501 5.124 ( -1.292 -15.641 -0.401) 15.699 5.286 ( -2.934 -5.944 4.804) 8.186 5.866 ( 0.072 -4.059 -0.994) 4.180 6.110 ( -0.683 -0.322 -0.394) 0.851 6.960 ( 3.028 14.911 1.045) 15.251 8.425 ( 4.611 2.037 2.221) 5.509 8.766 ( 0.371 -17.342 -2.565) 17.535 9.106 ( -1.421 -2.943 -3.133) 4.527 10.259 ( 3.387 -8.542 2.330) 9.479 11.295 ( -4.705 0.022 7.069) 8.492 11.921 ( 3.688 2.859 -6.601) 8.084 12.171 ( -0.901 -16.024 2.005) 16.174 12.572 ( -3.787 -14.987 0.220) 15.460 13.371 ( 6.327 -1.651 0.051) 6.539 13.885 ( -4.432 13.733 0.047) 14.430 14.467 ( 6.605 -4.230 -0.699) 7.874 15.217 ( -6.148 -3.368 -5.778) 9.084 15.807 ( -2.534 6.414 1.332) 7.024 16.255 ( -3.736 5.542 4.233) 7.911 18.218 ( 0.103 -2.972 -0.061) 2.974 18.900 ( 7.555 -2.546 -0.996) 8.035 ======================= Grid point 561 (247/481) ======================= q-point: ( 0.50 0.12 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 1.895 -2.733 2.729) 4.302 3.179 ( -1.092 -0.805 -0.647) 1.504 3.352 ( 1.117 -2.884 4.109) 5.142 3.846 ( 11.499 -4.097 -6.674) 13.912 3.854 ( 1.676 -10.717 -4.866) 11.889 4.225 ( 3.765 -8.454 4.284) 10.198 4.568 ( -0.692 -11.273 2.043) 11.477 4.664 ( -3.714 -3.063 -3.121) 5.737 4.924 ( -5.334 -12.992 3.247) 14.415 5.291 ( -6.290 -5.271 -4.307) 9.269 5.392 ( 0.103 -4.681 3.802) 6.031 5.965 ( 1.040 -5.627 -0.360) 5.734 6.156 ( 1.626 -4.304 0.123) 4.603 6.693 ( 1.145 14.680 0.837) 14.748 8.415 ( 6.758 2.237 0.776) 7.160 8.994 ( -9.098 -6.156 -0.967) 11.028 9.256 ( 6.150 -14.882 -0.428) 16.108 10.367 ( 2.917 -0.134 1.346) 3.215 11.289 ( -5.892 -0.060 7.766) 9.748 11.880 ( 5.024 1.348 -7.001) 8.722 12.491 ( -0.925 -17.622 1.253) 17.691 12.824 ( -0.762 -12.199 -0.405) 12.230 13.431 ( 2.808 -1.417 -0.104) 3.147 13.619 ( -4.006 11.807 0.365) 12.474 14.553 ( 7.839 -1.291 -0.712) 7.977 15.190 ( -7.166 0.238 -2.404) 7.562 15.736 ( -2.012 0.432 -0.426) 2.102 16.170 ( -2.159 3.127 3.018) 4.853 18.240 ( -0.153 0.263 -0.117) 0.326 18.950 ( 5.562 0.668 -0.420) 5.618 ======================= Grid point 562 (248/481) ======================= q-point: ( 0.56 0.12 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 0.183 -0.305 2.566) 2.590 3.189 ( -0.279 -0.913 -0.707) 1.188 3.385 ( -0.811 0.586 3.505) 3.645 3.910 ( 6.435 -1.743 -7.142) 9.770 4.031 ( 4.091 -5.203 -2.615) 7.116 4.381 ( 2.602 -4.680 2.234) 5.802 4.629 ( -5.483 0.126 -1.009) 5.576 4.792 ( -0.438 -10.196 4.605) 11.196 5.126 ( -2.496 -6.729 5.382) 8.971 5.291 ( -3.702 -0.864 -6.612) 7.627 5.459 ( -0.146 -2.921 -1.551) 3.311 6.062 ( 0.826 -3.672 0.825) 3.853 6.265 ( 2.910 -4.281 -0.854) 5.246 6.456 ( -0.780 9.750 1.812) 9.947 8.422 ( 6.259 1.669 0.636) 6.509 8.986 ( -8.708 -0.919 -0.280) 8.760 9.610 ( 4.987 -17.136 0.286) 17.849 10.305 ( 1.272 7.943 0.164) 8.046 11.286 ( -5.516 -0.333 8.173) 9.866 11.873 ( 5.326 0.576 -7.058) 8.861 12.805 ( -0.760 -15.233 0.580) 15.263 13.009 ( 0.500 -7.784 -0.781) 7.839 13.374 ( -2.359 8.304 1.630) 8.785 13.469 ( 1.300 2.551 -0.729) 2.954 14.594 ( 3.759 1.587 -0.631) 4.128 15.151 ( -3.912 -1.683 -0.847) 4.342 15.742 ( -1.066 -1.713 -0.419) 2.061 16.127 ( -1.084 1.421 1.630) 2.419 18.218 ( -0.876 1.387 -0.156) 1.648 18.946 ( 3.541 2.205 -0.205) 4.177 ======================= Grid point 563 (249/481) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -1.359 1.139 1.975) 2.654 3.196 ( -0.057 0.475 -0.372) 0.606 3.357 ( -1.451 2.389 3.248) 4.285 3.930 ( 2.905 0.282 -7.800) 8.328 4.074 ( 5.791 2.741 -0.836) 6.461 4.433 ( 0.105 0.482 -0.407) 0.639 4.590 ( -3.900 1.130 2.047) 4.547 4.988 ( -0.317 -8.384 5.216) 9.880 5.167 ( -7.008 -0.537 1.114) 7.117 5.216 ( 2.023 6.152 -2.250) 6.856 5.527 ( 1.892 -4.027 -4.050) 6.017 6.112 ( 1.125 -0.750 1.142) 1.770 6.222 ( -1.324 6.540 0.476) 6.690 6.440 ( 1.426 -4.314 -0.329) 4.556 8.408 ( 4.465 3.786 0.743) 5.901 8.968 ( -7.685 -3.073 -0.532) 8.294 9.874 ( 5.925 -2.429 -1.306) 6.535 10.149 ( -2.237 3.216 0.085) 3.918 11.290 ( -4.609 -0.246 8.600) 9.760 11.864 ( 4.478 0.964 -7.018) 8.380 12.994 ( -0.201 -2.419 0.121) 2.430 13.073 ( 0.556 3.123 -0.427) 3.201 13.278 ( -1.866 -1.334 1.984) 3.032 13.461 ( 3.122 -2.757 -0.867) 4.254 14.494 ( -3.273 8.585 -0.403) 9.197 15.233 ( 1.987 -7.124 -0.663) 7.426 15.776 ( 0.120 -2.081 -0.146) 2.090 16.109 ( -0.945 0.472 1.238) 1.628 18.188 ( -1.601 0.791 -0.125) 1.791 18.917 ( 1.715 2.290 -0.410) 2.890 ======================= Grid point 564 (250/481) ======================= q-point: (-0.31 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -2.233 2.364 1.612) 3.629 3.135 ( -1.287 6.786 3.019) 7.538 3.328 ( -0.657 0.180 0.588) 0.901 3.855 ( -0.405 6.490 -6.590) 9.258 4.020 ( 8.206 6.130 -2.277) 10.493 4.371 ( -1.910 4.520 -2.311) 5.424 4.547 ( -2.920 2.725 3.849) 5.547 4.977 ( -1.282 10.983 -4.214) 11.833 5.123 ( 2.163 0.022 3.363) 3.999 5.211 ( -5.386 -3.521 3.443) 7.298 5.566 ( 3.402 0.894 -1.439) 3.800 6.097 ( -0.935 3.214 0.239) 3.355 6.126 ( 1.203 2.698 0.911) 3.091 6.520 ( -0.716 -4.179 -1.908) 4.649 8.341 ( 1.987 5.049 0.749) 5.478 9.009 ( -5.293 -5.083 -1.460) 7.482 9.683 ( 3.976 17.893 -2.728) 18.531 10.238 ( -2.116 -6.956 -0.334) 7.278 11.302 ( -3.911 -0.735 8.905) 9.753 11.848 ( 3.932 0.710 -6.854) 7.934 12.872 ( 1.300 15.088 -0.323) 15.147 12.953 ( -0.589 5.414 0.626) 5.481 13.354 ( -0.874 -2.836 1.449) 3.303 13.617 ( 3.935 -10.525 -0.900) 11.272 14.288 ( -6.092 8.558 -0.112) 10.505 15.383 ( 4.660 -5.970 -1.432) 7.708 15.816 ( 1.144 -1.999 -0.287) 2.321 16.109 ( -1.989 -0.875 2.568) 3.364 18.173 ( -1.948 -0.342 -0.061) 1.979 18.882 ( 0.506 1.735 -1.228) 2.185 ======================= Grid point 565 (251/481) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -2.870 4.522 2.089) 5.749 2.949 ( -2.180 13.354 6.609) 15.058 3.337 ( -0.022 -1.060 -1.649) 1.960 3.649 ( 1.610 13.528 -2.733) 13.895 3.925 ( 5.331 6.596 -7.934) 11.613 4.246 ( -2.323 6.175 -3.244) 7.352 4.468 ( -3.961 5.266 3.016) 7.247 4.723 ( 2.622 14.640 -0.955) 14.904 5.097 ( 2.245 5.741 3.115) 6.907 5.218 ( -6.493 0.462 0.273) 6.515 5.500 ( 1.220 7.872 1.091) 8.041 6.036 ( 2.454 5.458 -0.910) 6.053 6.125 ( 2.587 -3.287 2.255) 4.753 6.583 ( -4.620 -5.248 -1.981) 7.267 8.272 ( 0.545 2.978 1.173) 3.247 9.040 ( -2.671 0.833 -3.338) 4.356 9.364 ( 3.356 15.027 -2.383) 15.580 10.282 ( -2.585 0.768 -1.037) 2.890 11.330 ( -4.014 -1.333 8.794) 9.758 11.845 ( 4.552 -0.312 -6.554) 7.985 12.552 ( 0.369 17.940 -0.524) 17.952 12.850 ( 0.340 6.229 -0.008) 6.238 13.309 ( -1.016 7.351 1.176) 7.513 13.852 ( 3.224 -11.885 -0.487) 12.324 14.169 ( -5.090 -0.219 0.063) 5.095 15.460 ( 6.326 1.156 -2.918) 7.062 15.873 ( 0.765 -3.967 -0.018) 4.040 16.144 ( -3.417 -3.359 4.998) 6.924 18.174 ( -1.715 -0.714 -0.007) 1.858 18.846 ( 0.170 1.818 -2.975) 3.490 ======================= Grid point 566 (252/481) ======================= q-point: (-0.19 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -5.083 9.234 5.367) 11.829 2.669 ( -1.033 17.648 8.816) 19.755 3.336 ( 2.095 5.018 -2.412) 5.949 3.384 ( 1.941 10.828 -1.730) 11.136 3.775 ( 1.964 8.275 -12.775) 15.347 4.097 ( -1.902 7.131 -4.308) 8.546 4.303 ( -3.837 10.737 0.934) 11.440 4.479 ( 5.615 14.643 5.201) 16.523 4.925 ( 0.699 14.955 1.399) 15.037 5.101 ( -3.934 8.609 -1.687) 9.614 5.365 ( -2.550 4.395 2.386) 5.614 5.912 ( 2.307 7.721 -1.735) 8.243 6.277 ( 7.826 -7.062 2.830) 10.914 6.671 ( -8.205 -9.051 0.496) 12.227 8.255 ( 0.096 -0.398 2.537) 2.570 8.837 ( 0.657 16.460 -5.340) 17.317 9.227 ( 2.105 3.029 -1.466) 3.969 10.178 ( -2.722 8.111 -0.909) 8.604 11.353 ( -5.306 -0.644 8.786) 10.284 11.859 ( 6.063 0.717 -5.894) 8.486 12.251 ( -0.491 12.248 -1.783) 12.387 12.698 ( 0.448 10.407 -0.482) 10.428 13.148 ( -1.795 6.939 0.228) 7.171 14.078 ( 1.114 -10.684 0.033) 10.742 14.209 ( -1.926 -4.513 0.371) 4.921 15.393 ( 7.849 8.435 -4.718) 12.450 15.974 ( -1.382 -6.456 0.863) 6.658 16.235 ( -3.863 -6.595 7.498) 10.707 18.173 ( -1.060 0.167 0.040) 1.074 18.785 ( 0.599 3.803 -6.068) 7.186 ======================= Grid point 567 (253/481) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -9.419 16.046 14.572) 23.633 2.366 ( 2.654 18.322 9.294) 20.715 3.083 ( 5.462 14.924 -4.885) 16.625 3.330 ( 0.836 4.354 -4.216) 6.119 3.548 ( -1.103 10.724 -12.277) 16.338 3.917 ( -1.142 9.950 -6.140) 11.748 4.063 ( 0.783 13.553 2.238) 13.759 4.225 ( 4.140 20.078 9.685) 22.673 4.606 ( -1.176 15.747 -1.339) 15.847 4.882 ( -1.097 11.330 -4.141) 12.113 5.312 ( -4.249 0.996 2.526) 5.043 5.799 ( 2.326 4.528 -0.887) 5.167 6.452 ( 6.673 -5.997 0.306) 8.977 6.849 ( -6.189 -13.438 5.872) 15.918 8.274 ( 0.806 3.393 3.202) 4.734 8.520 ( 1.268 11.713 -4.514) 12.616 9.169 ( 2.362 4.641 -1.142) 5.332 9.948 ( -2.276 14.556 -0.099) 14.733 11.348 ( -6.978 0.461 8.950) 11.358 11.810 ( 5.204 6.133 -2.971) 8.574 12.130 ( -0.127 -0.358 -5.960) 5.972 12.506 ( 0.885 8.479 0.655) 8.550 13.057 ( -1.350 2.050 -1.628) 2.946 14.248 ( -1.394 -1.277 0.990) 2.134 14.266 ( -0.735 -6.627 0.770) 6.712 15.241 ( 10.441 10.039 -7.992) 16.543 16.093 ( -3.594 -7.224 2.233) 8.371 16.399 ( -3.934 -10.091 10.179) 14.863 18.150 ( -0.714 1.913 0.074) 2.043 18.651 ( 1.528 8.697 -10.912) 14.037 ======================= Grid point 568 (254/481) ======================= q-point: (-0.06 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -10.703 14.973 20.875) 27.830 2.066 ( 5.087 19.767 14.672) 25.137 2.824 ( 6.991 16.886 -7.487) 19.749 3.065 ( 0.812 17.589 -9.678) 20.092 3.385 ( 1.191 6.549 -3.159) 7.368 3.642 ( -0.490 17.174 -5.760) 18.121 3.821 ( 1.310 14.456 2.549) 14.737 3.850 ( 1.288 22.118 9.241) 24.006 4.382 ( -2.467 6.910 -1.926) 7.586 4.685 ( 2.166 6.121 -9.017) 11.111 5.281 ( -4.468 0.519 1.885) 4.877 5.776 ( 2.392 -0.366 1.322) 2.757 6.578 ( -0.366 -5.733 -1.354) 5.902 7.115 ( -1.450 -12.924 9.452) 16.077 8.023 ( 5.153 18.683 -4.607) 19.921 8.543 ( 0.496 -8.478 4.813) 9.761 9.079 ( 2.917 5.883 -0.248) 6.571 9.618 ( -1.558 19.094 1.004) 19.184 11.324 ( -8.188 0.021 8.164) 11.563 11.728 ( 3.127 3.431 -1.921) 5.024 12.132 ( -3.975 -1.421 -3.134) 5.258 12.466 ( 5.274 -2.815 -1.439) 6.149 13.026 ( -0.394 0.331 -2.408) 2.462 14.109 ( -9.139 12.126 3.507) 15.584 14.420 ( 5.525 -6.990 -1.756) 9.081 15.117 ( 12.608 6.698 -11.272) 18.190 16.221 ( -2.969 -7.691 2.913) 8.744 16.625 ( -5.177 -12.285 13.799) 19.187 18.084 ( -2.968 4.521 -0.671) 5.450 18.385 ( 3.715 16.612 -16.359) 23.609 ======================= Grid point 572 (255/481) ======================= q-point: ( 0.19 0.19 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 19.724 0.000 5.389) 20.447 1.919 ( -3.330 -0.000 18.399) 18.698 2.233 ( -3.094 -0.000 -5.306) 6.142 2.494 ( 21.244 0.000 -9.450) 23.251 2.820 ( 3.361 0.000 4.483) 5.603 3.109 ( -3.781 -0.000 -2.526) 4.547 3.202 ( 11.836 0.000 6.047) 13.292 3.514 ( 1.835 0.000 11.065) 11.216 4.069 ( -12.318 -0.000 1.827) 12.453 4.671 ( 6.882 0.000 -17.177) 18.505 5.146 ( -4.948 -0.000 -3.751) 6.209 6.095 ( 0.583 0.000 4.396) 4.435 6.413 ( -13.566 -0.000 -2.056) 13.721 6.731 ( -5.571 -0.000 -0.014) 5.571 8.073 ( -1.061 -0.000 -1.106) 1.533 8.774 ( 0.108 0.000 -0.180) 0.210 9.032 ( 6.487 0.000 -8.354) 10.577 9.427 ( 5.660 0.000 -2.265) 6.096 11.315 ( -0.041 -0.000 8.378) 8.378 11.724 ( -2.611 -0.000 -2.543) 3.645 11.943 ( -24.675 -0.000 2.569) 24.808 12.857 ( 1.741 0.000 0.278) 1.763 12.938 ( -0.459 -0.000 0.425) 0.625 13.068 ( 0.980 0.000 -0.297) 1.024 14.923 ( 4.462 0.000 -12.407) 13.185 15.702 ( 19.458 0.000 -11.547) 22.626 16.447 ( -0.210 -0.000 -0.003) 0.210 16.783 ( 12.761 0.000 -0.969) 12.798 17.143 ( -8.355 -0.000 19.258) 20.992 17.946 ( 0.147 0.000 -0.031) 0.151 ======================= Grid point 573 (256/481) ======================= q-point: ( 0.25 0.19 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 2.000 -2.170 7.431) 7.996 1.919 ( 13.382 -17.366 6.193) 22.781 2.384 ( -0.144 -15.751 -2.973) 16.030 2.650 ( 18.491 -6.157 -4.696) 20.047 2.958 ( 5.370 -9.267 5.322) 11.960 3.145 ( -2.680 -6.270 -3.351) 7.598 3.304 ( -1.760 -5.665 -2.187) 6.323 3.668 ( 11.680 -8.342 16.178) 21.627 4.006 ( -12.197 -0.464 2.807) 12.524 4.638 ( 8.632 1.959 -16.155) 18.421 5.090 ( -5.972 0.949 -3.361) 6.918 6.038 ( -5.245 4.542 2.090) 7.246 6.331 ( -7.109 1.878 -0.595) 7.377 6.839 ( -6.083 -13.514 0.916) 14.849 8.018 ( -1.418 3.899 -1.472) 4.402 8.889 ( 0.272 -10.947 -0.568) 10.965 9.029 ( 5.018 0.602 -10.745) 11.874 9.367 ( 5.600 7.562 0.869) 9.449 11.340 ( 1.948 1.079 9.013) 9.284 11.652 ( -5.480 2.818 -3.531) 7.102 11.811 ( -17.687 0.850 2.342) 17.861 12.801 ( -1.086 5.977 0.559) 6.101 13.047 ( 4.435 -7.753 0.090) 8.932 13.191 ( -1.230 -13.725 0.772) 13.801 14.922 ( 0.260 -2.298 -11.558) 11.787 15.361 ( 10.650 27.766 -5.828) 30.304 16.728 ( 4.090 0.906 -5.343) 6.789 16.878 ( -0.401 -12.444 0.083) 12.450 17.131 ( 0.721 -3.083 16.259) 16.564 18.057 ( 4.993 -10.423 -0.029) 11.557 ======================= Grid point 574 (257/481) ======================= q-point: ( 0.31 0.19 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 3.559 -6.629 5.351) 9.232 2.460 ( 15.526 -21.667 6.298) 27.389 2.702 ( -1.693 -18.402 -7.486) 19.938 2.918 ( 15.074 -13.045 -0.920) 19.957 3.195 ( 3.131 -5.907 -1.551) 6.863 3.250 ( 0.091 -11.124 4.064) 11.844 3.452 ( -4.533 -14.106 0.107) 14.817 3.961 ( -9.999 -7.027 1.467) 12.309 4.042 ( 9.902 -12.650 10.620) 19.257 4.606 ( 8.304 0.927 -13.989) 16.294 5.039 ( -6.458 -0.663 -1.162) 6.595 5.919 ( -7.757 3.825 -0.096) 8.649 6.257 ( -2.167 3.160 1.137) 3.996 7.108 ( -5.353 -16.355 2.447) 17.382 7.930 ( -1.322 2.902 -2.469) 4.033 8.978 ( 5.603 4.381 -11.267) 13.325 9.050 ( 1.206 -0.867 -2.682) 3.066 9.372 ( 3.095 -9.932 4.909) 11.503 11.351 ( 2.205 2.108 6.703) 7.365 11.601 ( -5.417 -3.014 -0.831) 6.254 11.738 ( -10.631 -1.583 1.300) 10.827 12.642 ( -3.857 9.192 0.378) 9.976 13.211 ( 9.030 -5.192 0.463) 10.427 13.544 ( -1.976 -22.348 1.649) 22.495 14.857 ( -1.492 14.675 -2.271) 14.924 14.995 ( 3.947 3.901 -12.677) 13.838 16.591 ( 5.813 12.572 -1.907) 13.981 16.759 ( -8.963 12.773 8.939) 17.983 17.530 ( -0.756 -23.290 1.093) 23.328 18.348 ( 10.917 -13.964 -0.233) 17.726 ======================= Grid point 575 (258/481) ======================= q-point: ( 0.38 0.19 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 7.358 -12.797 3.282) 15.122 2.914 ( 13.120 -15.137 7.249) 21.303 2.959 ( 1.596 -12.173 -4.762) 13.169 3.154 ( -1.407 -4.959 -5.385) 7.454 3.355 ( 6.349 -14.600 -1.915) 16.036 3.551 ( 4.824 -14.332 6.307) 16.384 3.745 ( -0.559 -16.945 -0.110) 16.954 4.038 ( -9.625 -9.346 2.950) 13.736 4.422 ( 6.417 -17.942 0.874) 19.075 4.619 ( 2.166 -3.125 -9.478) 10.212 5.050 ( -4.943 -4.183 2.756) 7.037 5.824 ( -6.702 1.318 -1.015) 6.905 6.195 ( 0.762 3.711 2.192) 4.377 7.310 ( -0.903 -3.215 2.537) 4.194 7.953 ( -3.682 -10.256 -2.098) 11.097 8.845 ( 8.914 9.921 -5.677) 14.495 9.020 ( -1.928 -0.198 -6.505) 6.788 9.708 ( 2.217 -18.727 4.490) 19.385 11.335 ( 0.801 2.230 5.024) 5.555 11.711 ( -1.135 -9.927 1.950) 10.181 11.768 ( -6.515 -6.959 -0.344) 9.539 12.439 ( -5.800 8.584 -0.186) 10.362 13.340 ( 10.592 -2.066 0.939) 10.832 13.951 ( -1.000 -20.089 1.031) 20.141 14.509 ( 0.063 17.635 -0.911) 17.659 15.008 ( -3.205 -5.732 -12.021) 13.698 16.320 ( 3.554 18.485 1.908) 18.920 16.522 ( -9.008 8.682 5.103) 13.512 17.891 ( -1.206 -15.676 0.266) 15.725 18.652 ( 10.996 -10.968 -0.311) 15.533 ======================= Grid point 576 (259/481) ======================= q-point: ( 0.44 0.19 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 6.709 -11.305 2.390) 13.361 3.138 ( -0.953 -3.352 2.087) 4.062 3.142 ( 2.908 -6.511 -0.429) 7.144 3.325 ( 8.036 -14.847 -1.194) 16.924 3.632 ( 6.949 -10.818 -5.975) 14.178 3.856 ( 6.524 -11.279 7.260) 14.916 4.042 ( 0.278 -16.002 -1.817) 16.107 4.223 ( -7.167 -14.162 1.366) 15.931 4.655 ( -4.418 -4.307 -6.845) 9.215 4.787 ( -1.181 -18.574 -2.018) 18.721 5.158 ( -2.560 -7.333 7.238) 10.617 5.798 ( -3.193 -2.253 -1.276) 4.111 6.145 ( 1.884 3.127 2.626) 4.497 7.224 ( 1.414 10.851 -0.103) 10.943 8.240 ( -4.131 -19.648 1.191) 20.113 8.717 ( 10.330 6.919 -3.939) 13.042 9.012 ( -3.776 -3.173 -6.157) 7.889 10.064 ( 3.040 -15.217 4.191) 16.073 11.315 ( -1.290 1.786 6.080) 6.467 11.898 ( -2.094 -8.316 -2.155) 8.842 11.926 ( 2.329 -10.039 0.885) 10.344 12.324 ( -7.328 -3.875 0.174) 8.292 13.413 ( 9.184 0.566 0.476) 9.214 14.110 ( -4.385 10.025 0.028) 10.942 14.356 ( 4.519 -7.986 -0.728) 9.205 15.065 ( -5.245 -6.306 -8.886) 12.093 16.009 ( -0.205 15.309 2.343) 15.489 16.353 ( -5.998 6.419 3.568) 9.482 18.112 ( -0.431 -8.581 0.173) 8.593 18.868 ( 9.012 -5.963 -0.135) 10.807 ======================= Grid point 577 (260/481) ======================= q-point: ( 0.50 0.19 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 3.751 -5.831 2.744) 7.456 3.149 ( -1.992 -1.177 -0.856) 2.467 3.296 ( 2.339 -5.509 3.050) 6.717 3.632 ( 5.813 -13.201 -1.822) 14.539 3.810 ( 10.870 -5.733 -6.675) 13.985 4.092 ( 4.062 -9.234 4.661) 11.113 4.335 ( 1.352 -13.915 0.169) 13.982 4.474 ( -4.358 -14.797 -2.064) 15.563 4.685 ( -9.301 -6.555 -0.660) 11.397 5.064 ( -5.495 -13.205 -4.595) 15.023 5.310 ( -0.902 -6.443 8.414) 10.635 5.861 ( 0.537 -5.496 -1.470) 5.715 6.130 ( 2.144 0.222 2.938) 3.644 6.979 ( 0.604 14.777 -1.334) 14.849 8.485 ( 2.930 -2.978 1.935) 4.604 8.756 ( 0.969 -9.552 -2.616) 9.951 9.075 ( -0.145 -7.708 -3.189) 8.343 10.317 ( 3.379 -8.014 3.286) 9.297 11.293 ( -4.054 1.315 7.387) 8.528 11.916 ( 3.074 1.918 -6.600) 7.530 12.179 ( -0.463 -15.372 2.519) 15.584 12.530 ( -3.567 -17.216 0.026) 17.582 13.440 ( 5.690 0.690 -0.348) 5.742 13.836 ( -4.048 13.632 0.167) 14.221 14.539 ( 6.583 -5.673 -0.879) 8.735 15.107 ( -6.643 -3.768 -5.020) 9.139 15.791 ( -1.325 7.533 0.677) 7.679 16.234 ( -4.066 4.416 3.133) 6.771 18.216 ( -0.239 -3.030 -0.013) 3.039 18.982 ( 6.918 -1.443 0.044) 7.067 ======================= Grid point 578 (261/481) ======================= q-point: ( 0.56 0.19 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 1.205 -1.675 2.836) 3.507 3.161 ( -1.286 -1.349 -0.760) 2.013 3.383 ( 0.249 -1.878 3.115) 3.646 3.839 ( 2.618 -7.076 -5.948) 9.607 3.962 ( 12.802 -5.299 -2.552) 14.088 4.284 ( 2.046 -7.848 2.100) 8.378 4.558 ( -2.599 -6.108 -0.736) 6.679 4.603 ( -3.849 -8.691 0.619) 9.525 4.897 ( -2.945 -16.173 3.426) 16.792 5.180 ( -6.960 -5.599 -5.770) 10.634 5.419 ( -0.104 -2.719 4.753) 5.477 5.977 ( 1.527 -5.932 -1.014) 6.209 6.191 ( 2.712 -4.076 2.520) 5.507 6.695 ( -0.682 14.532 -0.851) 14.573 8.505 ( 7.857 2.268 0.634) 8.202 8.880 ( -9.330 -5.143 -0.858) 10.688 9.322 ( 5.176 -16.250 0.165) 17.055 10.409 ( 2.451 1.149 1.613) 3.151 11.274 ( -5.530 0.152 7.958) 9.692 11.892 ( 4.833 0.632 -6.957) 8.495 12.492 ( -0.560 -17.191 1.646) 17.279 12.811 ( -0.809 -13.208 -0.796) 13.256 13.462 ( 2.760 -0.214 -0.499) 2.813 13.578 ( -3.508 11.345 0.619) 11.891 14.634 ( 6.895 -0.759 -0.732) 6.976 15.095 ( -6.624 -1.076 -1.970) 6.994 15.714 ( -1.149 0.509 -0.693) 1.435 16.161 ( -2.416 2.465 2.344) 4.172 18.234 ( -0.545 0.479 -0.181) 0.747 19.011 ( 4.847 1.743 0.118) 5.153 ======================= Grid point 579 (262/481) ======================= q-point: ( 0.62 0.19 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -0.754 0.606 2.074) 2.288 3.178 ( -0.720 -1.344 -0.819) 1.730 3.397 ( -0.978 1.045 3.456) 3.741 3.911 ( 3.207 -1.846 -7.607) 8.460 4.107 ( 9.395 -2.839 -0.610) 9.834 4.406 ( -0.044 -3.718 -0.021) 3.719 4.571 ( -4.313 -1.269 1.548) 4.755 4.813 ( -0.805 -10.927 4.290) 11.767 5.104 ( -7.259 -3.952 2.702) 8.696 5.230 ( 1.646 -6.080 -5.487) 8.354 5.450 ( 0.135 -1.162 -0.684) 1.355 6.077 ( 0.738 -3.864 0.500) 3.965 6.291 ( 2.281 -2.275 -0.524) 3.264 6.456 ( -0.999 8.491 1.505) 8.681 8.510 ( 7.799 2.812 0.849) 8.334 8.875 ( -9.691 -1.741 -0.241) 9.849 9.670 ( 4.364 -16.631 0.876) 17.216 10.316 ( 0.651 9.530 -0.214) 9.555 11.278 ( -5.157 -0.863 8.280) 9.792 11.887 ( 5.066 0.832 -6.920) 8.617 12.803 ( -0.374 -14.997 0.795) 15.023 13.007 ( 0.195 -8.321 -1.018) 8.385 13.361 ( -1.744 8.586 1.699) 8.925 13.479 ( 1.166 1.316 -0.882) 1.967 14.623 ( 2.026 5.336 -0.565) 5.736 15.110 ( -2.267 -5.115 -0.635) 5.631 15.729 ( -0.645 -2.286 -0.612) 2.453 16.124 ( -1.225 1.200 1.344) 2.179 18.205 ( -0.948 1.705 -0.233) 1.964 18.984 ( 2.871 3.265 0.042) 4.348 ======================= Grid point 580 (263/481) ======================= q-point: (-0.31 0.19 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -1.717 1.639 1.344) 2.727 3.190 ( -0.419 -0.081 -0.283) 0.512 3.363 ( -1.502 2.842 3.508) 4.759 3.900 ( 1.706 1.723 -8.164) 8.516 4.159 ( 8.278 2.696 -0.168) 8.708 4.415 ( -1.649 1.627 -1.628) 2.831 4.576 ( -2.150 0.363 4.203) 4.735 5.010 ( -1.103 -8.396 4.385) 9.536 5.068 ( -6.998 0.991 -3.662) 7.961 5.253 ( 2.885 4.438 2.258) 5.755 5.523 ( 1.883 -5.694 -3.873) 7.139 6.126 ( 0.016 -0.645 0.881) 1.092 6.215 ( -0.333 6.422 0.464) 6.448 6.449 ( 0.574 -2.953 -0.569) 3.062 8.470 ( 4.582 5.917 1.131) 7.569 8.878 ( -6.384 -4.439 -0.708) 7.808 9.937 ( 5.959 -2.228 -0.739) 6.405 10.113 ( -3.623 4.702 -0.666) 5.973 11.295 ( -4.399 -0.789 8.729) 9.806 11.869 ( 4.304 1.439 -6.876) 8.238 12.993 ( -0.126 -2.832 0.147) 2.839 13.077 ( 0.532 3.083 -0.413) 3.155 13.274 ( -1.156 -1.494 2.164) 2.873 13.483 ( 1.744 -3.745 -1.193) 4.300 14.459 ( -2.084 10.973 -0.245) 11.172 15.250 ( 1.500 -8.997 -0.617) 9.142 15.775 ( -0.037 -2.752 -0.286) 2.767 16.106 ( -0.991 0.528 1.136) 1.598 18.170 ( -1.113 1.079 -0.186) 1.561 18.933 ( 1.328 3.244 -0.307) 3.519 ======================= Grid point 581 (264/481) ======================= q-point: (-0.25 0.19 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -1.848 2.569 1.163) 3.371 3.146 ( -0.489 5.995 3.407) 6.913 3.320 ( -1.506 0.798 0.789) 1.878 3.815 ( 1.674 5.514 -7.744) 9.652 4.099 ( 6.910 8.194 -1.125) 10.778 4.330 ( -2.049 5.140 -2.809) 6.206 4.542 ( -2.504 3.523 4.422) 6.184 4.939 ( -0.532 7.750 -4.426) 8.941 5.139 ( -2.558 -3.785 0.801) 4.638 5.201 ( -0.182 2.731 5.303) 5.968 5.594 ( 2.307 -0.139 -0.799) 2.445 6.094 ( 0.196 1.983 1.093) 2.273 6.150 ( 1.296 2.351 0.836) 2.812 6.487 ( -2.067 -2.173 -3.009) 4.248 8.368 ( 1.245 6.240 0.970) 6.437 8.952 ( -2.183 -5.686 -1.622) 6.303 9.699 ( 1.798 18.497 -2.683) 18.777 10.214 ( -1.319 -6.597 -0.486) 6.745 11.316 ( -3.981 -0.931 8.912) 9.805 11.848 ( 3.854 0.650 -6.719) 7.773 12.881 ( 0.654 15.703 -0.320) 15.720 12.952 ( -0.217 4.738 0.590) 4.779 13.356 ( -0.427 -2.927 1.507) 3.320 13.643 ( 1.259 -11.169 -1.041) 11.288 14.237 ( -2.103 9.597 -0.014) 9.824 15.417 ( 2.625 -6.993 -1.479) 7.615 15.823 ( 0.338 -2.394 -0.290) 2.435 16.103 ( -1.948 -0.703 2.541) 3.278 18.156 ( -0.828 -0.177 -0.105) 0.853 18.881 ( 0.605 2.543 -1.191) 2.873 ======================= Grid point 582 (265/481) ======================= q-point: (-0.19 0.19 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -2.191 4.804 1.762) 5.566 2.981 ( -0.289 12.767 7.265) 14.692 3.319 ( -1.118 -1.142 -1.572) 2.242 3.661 ( 4.311 10.729 -4.621) 12.452 3.932 ( 3.742 11.158 -6.111) 13.261 4.196 ( -2.322 6.317 -3.706) 7.683 4.446 ( -2.502 6.525 2.982) 7.598 4.762 ( 3.915 11.022 -0.472) 11.706 5.123 ( -1.190 4.117 -1.526) 4.549 5.158 ( -3.458 3.518 4.429) 6.630 5.511 ( -0.437 8.758 1.068) 8.834 6.052 ( 1.097 5.849 -1.049) 6.042 6.199 ( 6.120 -6.792 4.512) 10.196 6.499 ( -6.034 -3.565 -4.033) 8.086 8.285 ( 0.075 3.036 1.215) 3.271 9.005 ( 0.595 1.060 -3.384) 3.596 9.370 ( 0.320 14.251 -2.271) 14.434 10.254 ( -1.093 1.369 -0.945) 1.990 11.340 ( -4.272 -0.872 8.584) 9.628 11.853 ( 4.243 -1.148 -6.411) 7.773 12.550 ( -0.204 18.456 -0.493) 18.464 12.851 ( -0.059 6.401 -0.079) 6.402 13.310 ( -0.130 7.962 1.138) 8.044 13.865 ( -0.785 -12.013 -0.404) 12.046 14.142 ( 0.774 -0.490 0.022) 0.917 15.500 ( 3.820 -0.010 -3.335) 5.071 15.873 ( -0.940 -3.521 0.378) 3.664 16.138 ( -3.225 -3.593 4.964) 6.925 18.162 ( -0.166 -0.660 -0.022) 0.681 18.833 ( 0.851 2.627 -2.929) 4.026 ======================= Grid point 583 (266/481) ======================= q-point: (-0.12 0.19 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -3.995 9.553 4.776) 11.403 2.735 ( 1.923 16.183 9.535) 18.881 3.323 ( -0.829 0.447 -2.608) 2.773 3.433 ( 6.990 15.071 -0.736) 16.629 3.708 ( 1.579 10.741 -13.051) 16.977 4.044 ( -2.140 7.273 -4.503) 8.818 4.291 ( -0.653 9.821 2.224) 10.091 4.570 ( 4.703 12.800 3.512) 14.081 4.934 ( -0.253 16.397 1.289) 16.449 5.035 ( -4.754 7.259 -1.815) 8.865 5.359 ( -1.802 5.763 2.825) 6.666 5.920 ( 0.978 7.236 -1.827) 7.527 6.393 ( 6.752 -4.858 1.819) 8.515 6.582 ( -5.702 -12.255 1.129) 13.564 8.273 ( -0.108 -1.068 2.504) 2.724 8.813 ( 1.400 16.422 -5.237) 17.294 9.231 ( 0.309 2.332 -1.512) 2.797 10.153 ( -0.785 8.354 -0.598) 8.412 11.348 ( -5.434 0.175 8.380) 9.989 11.886 ( 5.343 -0.708 -5.898) 7.990 12.230 ( -1.173 13.495 -1.393) 13.618 12.694 ( -0.670 10.084 -0.470) 10.117 13.144 ( 0.832 7.949 0.257) 7.997 14.070 ( -2.442 -10.988 0.142) 11.257 14.216 ( 2.628 -4.036 0.253) 4.823 15.437 ( 5.623 7.267 -5.723) 10.826 15.952 ( -3.988 -5.862 1.969) 7.358 16.240 ( -3.497 -7.377 7.131) 10.839 18.169 ( 0.347 0.311 0.061) 0.470 18.760 ( 1.963 4.920 -5.774) 7.836 ======================= Grid point 584 (267/481) ======================= q-point: (-0.06 0.19 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -6.412 14.944 11.276) 19.789 2.485 ( 5.808 16.654 11.473) 21.040 3.133 ( 7.145 15.503 -4.207) 17.581 3.318 ( 2.461 6.352 -3.431) 7.627 3.465 ( 0.351 9.532 -11.506) 14.946 3.857 ( -1.865 10.161 -6.239) 12.068 4.089 ( 0.374 12.539 2.227) 12.740 4.341 ( 4.884 18.083 8.196) 20.446 4.576 ( -2.179 17.928 -0.410) 18.065 4.832 ( -1.340 10.492 -5.235) 11.802 5.284 ( -4.127 2.210 3.140) 5.636 5.818 ( 2.083 3.355 -1.146) 4.112 6.465 ( -3.717 -4.041 -2.626) 6.086 6.877 ( 3.653 -15.709 7.445) 17.763 8.302 ( 0.070 4.086 3.347) 5.282 8.506 ( 1.904 9.403 -4.740) 10.700 9.180 ( 0.908 3.644 -1.573) 4.072 9.934 ( -0.378 14.509 0.290) 14.516 11.326 ( -6.586 1.248 8.287) 10.659 11.842 ( 3.369 6.774 -2.261) 7.896 12.085 ( -1.033 0.589 -5.352) 5.482 12.515 ( 0.124 6.426 0.136) 6.428 13.052 ( 2.230 3.055 -1.028) 3.920 14.240 ( -1.037 2.127 0.841) 2.511 14.262 ( -0.923 -8.756 0.775) 8.839 15.294 ( 8.333 8.626 -9.268) 15.157 16.060 ( -5.242 -7.778 3.531) 10.023 16.417 ( -4.239 -10.690 9.401) 14.854 18.143 ( -0.450 2.805 -0.060) 2.842 18.615 ( 4.097 10.155 -9.502) 14.498 ======================= Grid point 589 (268/481) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 20.246 0.000 0.060) 20.246 1.962 ( -0.878 -0.000 6.940) 6.995 2.173 ( -2.401 -0.000 -1.399) 2.778 2.730 ( 22.857 0.000 -0.064) 22.857 2.893 ( 3.364 0.000 4.860) 5.911 3.033 ( -5.686 -0.000 -3.798) 6.838 3.245 ( -2.233 -0.000 -3.380) 4.051 3.715 ( 10.428 0.000 13.127) 16.765 3.953 ( -8.022 -0.000 6.197) 10.136 4.656 ( 9.117 0.000 -15.633) 18.097 5.054 ( -5.708 -0.000 -4.601) 7.332 6.029 ( -14.220 -0.000 -0.010) 14.220 6.346 ( 1.612 0.000 2.793) 3.225 6.662 ( -6.216 -0.000 0.023) 6.216 8.042 ( -2.892 -0.000 -0.565) 2.946 8.773 ( 0.092 0.000 -0.273) 0.288 9.023 ( 4.419 0.000 -13.369) 14.081 9.472 ( 4.346 0.000 -1.613) 4.636 11.401 ( 3.551 0.000 9.922) 10.538 11.602 ( -16.964 -0.000 -3.460) 17.314 11.762 ( -6.110 -0.000 2.023) 6.436 12.870 ( -0.400 -0.000 0.669) 0.779 12.936 ( -0.459 -0.000 0.511) 0.687 13.078 ( 1.029 0.000 -0.342) 1.085 14.867 ( 0.358 0.000 -11.454) 11.460 15.779 ( 7.510 0.000 -9.926) 12.447 16.444 ( -0.229 -0.000 -0.008) 0.229 16.873 ( 2.273 0.000 1.029) 2.495 17.284 ( 11.120 0.000 15.878) 19.385 17.947 ( 0.159 0.000 -0.030) 0.161 ======================= Grid point 590 (269/481) ======================= q-point: ( 0.31 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 4.791 1.375 4.074) 6.438 2.121 ( 16.076 -21.295 -3.300) 26.885 2.354 ( -0.754 -15.267 2.309) 15.459 2.866 ( 17.047 -3.152 1.632) 17.412 3.054 ( 0.780 -10.531 3.872) 11.247 3.075 ( -0.604 -7.964 -2.557) 8.386 3.242 ( -5.333 -4.197 -1.667) 6.988 3.799 ( -7.840 -4.162 1.552) 9.011 4.010 ( 10.728 -2.989 12.539) 16.771 4.641 ( 9.564 1.790 -15.224) 18.067 4.999 ( -5.524 0.580 -2.479) 6.083 5.911 ( -14.606 2.364 -1.172) 14.842 6.333 ( 3.142 3.447 4.173) 6.259 6.775 ( -6.069 -13.927 0.925) 15.220 7.986 ( -2.326 3.558 -1.008) 4.369 8.887 ( 0.295 -10.795 -1.131) 10.858 8.989 ( 2.735 0.770 -14.764) 15.035 9.429 ( 4.436 5.464 -0.034) 7.038 11.427 ( 0.168 1.815 3.154) 3.643 11.505 ( -12.076 -1.052 3.938) 12.745 11.717 ( -2.520 2.329 1.348) 3.687 12.775 ( -4.457 6.999 1.635) 8.457 13.096 ( 3.714 -11.869 -0.184) 12.438 13.190 ( 0.109 -12.123 0.479) 12.133 14.838 ( -1.084 -0.953 -11.595) 11.684 15.413 ( 5.138 27.188 -4.979) 28.114 16.652 ( -7.105 -5.466 -3.023) 9.460 16.954 ( 7.705 -6.139 0.861) 9.889 17.257 ( 3.629 5.449 12.429) 14.048 18.130 ( 6.819 -14.795 1.174) 16.332 ======================= Grid point 591 (270/481) ======================= q-point: ( 0.38 0.25 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 10.281 -7.395 2.933) 12.999 2.615 ( 4.515 -22.769 -8.929) 24.871 2.692 ( 7.977 -17.606 8.476) 21.106 3.051 ( 6.011 -5.473 -0.805) 8.169 3.149 ( -2.508 -8.058 -2.144) 8.707 3.335 ( 2.654 -13.549 4.020) 14.380 3.431 ( 1.736 -16.297 3.185) 16.696 3.838 ( -11.593 -6.860 1.607) 13.566 4.215 ( 9.223 -8.424 3.376) 12.939 4.604 ( 7.268 1.982 -14.093) 15.980 4.978 ( -3.521 -1.761 2.910) 4.896 5.791 ( -11.761 1.331 -1.223) 11.899 6.298 ( 4.085 4.208 4.882) 7.631 7.061 ( -5.178 -18.237 1.864) 19.049 7.896 ( -1.772 3.504 -2.061) 4.435 8.925 ( 1.495 1.135 -15.668) 15.780 9.049 ( 1.749 -1.104 -3.678) 4.219 9.446 ( 3.601 -8.602 4.980) 10.572 11.388 ( -2.755 0.247 -1.436) 3.116 11.536 ( -4.171 -4.376 7.350) 9.517 11.687 ( -1.664 -0.476 2.323) 2.897 12.588 ( -6.385 9.885 1.466) 11.859 13.311 ( 7.462 -7.620 0.441) 10.674 13.539 ( -0.542 -22.330 1.067) 22.362 14.790 ( -2.964 4.139 -8.387) 9.811 14.970 ( 2.527 16.627 -6.604) 18.068 16.570 ( -5.758 5.680 -1.002) 8.150 16.787 ( 3.581 21.176 5.358) 22.135 17.534 ( -1.105 -21.246 2.834) 21.462 18.476 ( 10.198 -14.690 1.530) 17.948 ======================= Grid point 592 (271/481) ======================= q-point: ( 0.44 0.25 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 11.555 -11.456 2.424) 16.451 2.944 ( 1.006 -14.829 -2.577) 15.085 3.084 ( -3.863 -6.422 -3.147) 8.128 3.106 ( 10.185 -10.978 6.014) 16.138 3.390 ( 2.098 -14.995 -2.242) 15.306 3.659 ( 5.610 -16.985 4.997) 18.572 3.760 ( 2.486 -14.236 0.819) 14.475 3.957 ( -7.327 -10.890 2.991) 13.462 4.442 ( -2.260 -14.029 -4.692) 14.964 4.568 ( 2.320 -0.354 -12.076) 12.302 5.055 ( -0.178 -5.268 8.941) 10.379 5.731 ( -7.149 -1.365 -0.818) 7.324 6.253 ( 4.095 4.832 5.070) 8.114 7.309 ( -1.311 -5.433 0.898) 5.661 7.898 ( -3.343 -9.639 -1.646) 10.335 8.867 ( 3.430 1.511 -12.535) 13.083 8.966 ( 0.685 5.539 -4.403) 7.109 9.773 ( 2.788 -18.475 5.958) 19.611 11.373 ( 0.709 1.502 2.584) 3.072 11.678 ( -3.456 -11.458 0.436) 11.976 11.752 ( -0.670 -6.642 4.790) 8.217 12.363 ( -7.116 9.253 0.337) 11.678 13.461 ( 8.934 -2.610 0.955) 9.356 13.948 ( -0.532 -19.527 0.698) 19.547 14.503 ( 0.591 16.960 -1.888) 17.075 14.886 ( -4.220 -5.043 -11.277) 13.055 16.368 ( 2.940 18.767 0.426) 19.001 16.453 ( -7.719 9.272 4.299) 12.808 17.886 ( -0.504 -15.526 1.163) 15.577 18.773 ( 9.172 -10.158 1.259) 13.744 ======================= Grid point 593 (272/481) ======================= q-point: ( 0.50 0.25 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 7.952 -8.694 3.129) 12.191 3.096 ( -3.947 -2.650 -2.373) 5.313 3.189 ( 3.306 -9.093 2.704) 10.046 3.416 ( 5.943 -12.956 0.705) 14.272 3.672 ( 5.761 -13.083 -2.904) 14.587 3.972 ( 4.788 -8.387 2.166) 9.897 4.063 ( 4.747 -19.280 1.631) 19.923 4.146 ( -5.679 -12.253 -0.406) 13.511 4.533 ( -8.281 -3.662 -6.130) 10.935 4.725 ( -4.315 -16.835 -6.622) 18.598 5.210 ( 0.627 -6.865 10.991) 12.974 5.758 ( -1.982 -4.590 -0.815) 5.065 6.204 ( 3.344 4.148 5.084) 7.364 7.222 ( -0.233 10.927 -2.572) 11.228 8.204 ( -3.355 -20.912 1.181) 21.213 8.804 ( 9.513 6.195 -4.990) 12.400 8.919 ( -4.617 -5.080 -6.989) 9.796 10.132 ( 3.135 -15.022 5.472) 16.292 11.346 ( -0.426 3.025 6.040) 6.769 11.863 ( -1.145 -8.794 -2.658) 9.259 11.963 ( 1.934 -10.542 2.479) 11.001 12.239 ( -7.234 -4.943 0.094) 8.762 13.513 ( 7.459 2.072 0.169) 7.743 14.061 ( -4.074 10.273 0.182) 11.053 14.407 ( 5.379 -9.078 -1.315) 10.633 14.945 ( -5.632 -6.927 -8.191) 12.116 16.024 ( 0.397 16.904 1.635) 16.988 16.305 ( -5.630 5.154 2.380) 7.995 18.111 ( -0.121 -8.492 0.537) 8.510 18.966 ( 7.218 -5.016 0.938) 8.840 ======================= Grid point 594 (273/481) ======================= q-point: ( 0.56 0.25 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 3.390 -3.734 3.813) 6.322 3.115 ( -2.696 -2.177 -1.211) 3.671 3.340 ( 1.652 -4.331 3.018) 5.531 3.667 ( 3.445 -11.050 -3.057) 11.972 3.916 ( 11.566 -8.361 -2.652) 14.516 4.144 ( 2.224 -7.898 0.065) 8.205 4.349 ( -1.865 -13.004 -0.489) 13.147 4.416 ( -0.971 -11.966 -2.462) 12.255 4.594 ( -5.757 -12.099 2.919) 13.713 4.951 ( -7.579 -12.273 -5.793) 15.545 5.366 ( 0.007 -5.360 9.247) 10.689 5.860 ( 1.081 -6.485 -1.765) 6.807 6.189 ( 2.995 0.805 5.453) 6.273 6.959 ( -1.231 14.562 -3.561) 15.041 8.510 ( -0.505 -10.076 1.260) 10.167 8.755 ( 1.780 0.427 -2.585) 3.168 9.063 ( 1.678 -13.220 -3.001) 13.660 10.379 ( 2.931 -7.124 3.969) 8.666 11.299 ( -3.567 2.867 7.893) 9.124 11.904 ( 2.286 0.541 -6.603) 7.008 12.193 ( -0.123 -14.529 2.779) 14.793 12.492 ( -2.666 -19.004 -0.284) 19.192 13.494 ( 4.110 2.538 -0.803) 4.897 13.797 ( -2.920 13.383 0.371) 13.703 14.608 ( 6.376 -6.649 -0.892) 9.255 14.999 ( -6.284 -4.386 -4.503) 8.888 15.785 ( -0.244 8.512 0.191) 8.517 16.205 ( -3.971 3.377 2.337) 5.712 18.214 ( -0.173 -2.785 0.085) 2.791 19.055 ( 5.167 -0.564 0.644) 5.237 ======================= Grid point 595 (274/481) ======================= q-point: ( 0.62 0.25 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( 0.085 -0.145 2.914) 2.919 3.138 ( -1.765 -1.985 -0.831) 2.783 3.402 ( -0.618 -1.233 3.260) 3.540 3.836 ( 3.612 -6.126 -5.817) 9.187 4.097 ( 12.211 -4.538 -1.692) 13.136 4.291 ( -1.611 -7.369 -0.864) 7.593 4.500 ( -5.484 -4.075 0.732) 6.871 4.599 ( 0.537 -13.102 1.816) 13.238 4.901 ( -1.119 -15.422 4.330) 16.057 5.059 ( -5.804 -7.305 -7.218) 11.796 5.454 ( 0.372 -1.114 5.160) 5.292 5.982 ( 0.849 -6.230 -1.678) 6.507 6.248 ( 3.010 -2.896 4.270) 5.973 6.669 ( -1.880 13.636 -2.269) 13.950 8.599 ( 7.093 0.657 0.545) 7.144 8.771 ( -7.940 -3.244 -0.873) 8.621 9.375 ( 3.545 -17.296 0.504) 17.662 10.445 ( 1.811 2.651 1.675) 3.621 11.267 ( -5.081 0.491 8.195) 9.655 11.898 ( 4.187 -0.232 -6.911) 8.084 12.499 ( -0.310 -16.811 1.904) 16.922 12.796 ( -0.639 -13.857 -1.107) 13.916 13.484 ( 1.522 -0.077 -0.982) 1.813 13.550 ( -1.885 11.593 0.989) 11.787 14.701 ( 5.252 0.457 -0.663) 5.313 15.014 ( -4.960 -2.964 -1.712) 6.027 15.701 ( -0.167 0.793 -0.884) 1.199 16.147 ( -2.388 1.760 1.919) 3.533 18.227 ( -0.359 0.762 -0.185) 0.863 19.060 ( 3.138 2.557 0.387) 4.066 ======================= Grid point 596 (275/481) ======================= q-point: (-0.31 -0.75 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -1.570 1.359 1.613) 2.630 3.162 ( -1.152 -1.783 -0.570) 2.198 3.407 ( -1.523 1.167 3.748) 4.211 3.897 ( 3.280 -0.873 -7.637) 8.357 4.215 ( 9.129 -1.502 -0.616) 9.273 4.381 ( -2.911 -3.793 -1.506) 5.013 4.555 ( -1.772 -3.005 4.471) 5.670 4.836 ( 0.209 -10.615 3.929) 11.321 5.008 ( -8.433 -2.055 -1.923) 8.891 5.244 ( 4.029 -10.547 -2.450) 11.553 5.454 ( 0.722 1.304 0.076) 1.492 6.082 ( -0.188 -4.205 -0.019) 4.209 6.309 ( 1.396 1.157 -0.437) 1.865 6.455 ( -0.969 5.748 1.555) 6.033 8.603 ( 5.752 3.975 1.272) 7.106 8.772 ( -6.307 -2.768 -0.579) 6.912 9.717 ( 2.343 -16.546 1.175) 16.752 10.319 ( 0.287 11.219 -0.504) 11.234 11.276 ( -4.837 -1.293 8.331) 9.720 11.897 ( 4.359 0.900 -6.796) 8.124 12.806 ( -0.118 -14.694 0.898) 14.722 13.000 ( -0.080 -8.829 -1.098) 8.897 13.356 ( -1.051 8.243 1.687) 8.480 13.483 ( 0.623 1.094 -0.956) 1.581 14.636 ( 0.921 7.786 -0.514) 7.857 15.090 ( -0.634 -7.485 -0.520) 7.530 15.720 ( -0.126 -2.488 -0.707) 2.590 16.118 ( -1.205 0.928 1.191) 1.932 18.196 ( -0.370 1.929 -0.255) 1.980 19.010 ( 1.403 3.942 0.133) 4.186 ======================= Grid point 597 (276/481) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( -1.708 1.729 1.024) 2.637 3.184 ( -0.528 -0.869 0.032) 1.017 3.367 ( -1.931 3.250 3.883) 5.419 3.869 ( 2.529 2.440 -8.377) 9.084 4.243 ( 5.771 3.161 -0.408) 6.592 4.383 ( -1.718 1.679 -1.824) 3.016 4.596 ( -0.073 0.753 5.678) 5.728 4.964 ( -6.399 -0.659 -3.727) 7.434 5.026 ( -0.645 -6.717 3.582) 7.640 5.306 ( 3.765 4.581 1.965) 6.247 5.519 ( 1.735 -7.227 -3.727) 8.314 6.125 ( -0.986 -0.240 0.794) 1.289 6.217 ( 0.259 5.027 0.088) 5.034 6.446 ( -0.455 -1.014 -0.373) 1.172 8.510 ( -0.106 7.313 1.324) 7.432 8.832 ( 0.387 -5.399 -0.882) 5.484 9.999 ( 4.896 -4.322 0.062) 6.531 10.057 ( -4.555 8.186 -1.464) 9.482 11.302 ( -4.435 -1.213 8.687) 9.829 11.872 ( 3.937 1.682 -6.781) 8.019 12.993 ( -0.015 -2.977 0.153) 2.981 13.079 ( 0.341 2.794 -0.424) 2.847 13.280 ( -0.462 -1.595 2.232) 2.782 13.483 ( -0.470 -3.920 -1.299) 4.156 14.448 ( 0.508 11.752 -0.214) 11.765 15.257 ( 0.460 -9.702 -0.601) 9.732 15.771 ( -0.157 -3.006 -0.296) 3.024 16.102 ( -0.864 0.523 1.090) 1.486 18.162 ( -0.005 1.189 -0.196) 1.205 18.941 ( 0.379 3.709 -0.285) 3.739 ======================= Grid point 598 (277/481) ======================= q-point: (-0.19 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -1.323 2.549 1.036) 3.053 3.167 ( 0.312 4.189 3.215) 5.289 3.307 ( -2.081 2.000 1.743) 3.372 3.791 ( 3.551 4.574 -8.633) 10.395 4.157 ( 3.830 9.223 -0.157) 9.988 4.286 ( -2.044 5.997 -3.488) 7.232 4.556 ( -0.500 4.889 5.141) 7.112 4.901 ( -0.908 3.363 -4.559) 5.737 5.112 ( -2.806 -1.626 1.953) 3.786 5.249 ( 2.850 3.915 3.705) 6.098 5.605 ( 0.485 -0.145 -0.876) 1.012 6.110 ( 0.685 0.291 0.961) 1.216 6.168 ( 1.199 0.985 0.977) 1.834 6.438 ( -2.534 0.221 -2.953) 3.898 8.375 ( -1.237 6.254 0.873) 6.435 8.945 ( 2.855 -5.353 -1.547) 6.261 9.686 ( -1.044 18.970 -2.461) 19.158 10.203 ( -0.005 -6.309 -0.388) 6.321 11.326 ( -4.391 -1.014 8.744) 9.837 11.847 ( 3.753 0.571 -6.687) 7.689 12.881 ( -0.463 15.771 -0.313) 15.781 12.957 ( 0.492 4.904 0.514) 4.955 13.363 ( 0.020 -2.837 1.463) 3.192 13.629 ( -2.440 -11.338 -0.928) 11.634 14.243 ( 3.127 9.498 -0.087) 10.000 15.422 ( 0.069 -7.445 -1.546) 7.604 15.821 ( -0.465 -2.419 -0.232) 2.474 16.099 ( -1.499 -0.583 2.548) 3.013 18.154 ( 0.729 -0.164 -0.092) 0.753 18.879 ( 0.379 2.834 -1.162) 3.087 ======================= Grid point 599 (278/481) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -1.309 4.980 1.707) 5.425 3.038 ( 1.573 11.414 7.533) 13.766 3.293 ( -1.781 -0.934 -1.068) 2.277 3.683 ( 6.329 7.280 -7.342) 12.122 3.931 ( 2.015 15.196 -3.964) 15.834 4.145 ( -2.236 6.312 -3.314) 7.471 4.453 ( -0.267 7.270 3.407) 8.034 4.793 ( 2.592 7.773 -1.850) 8.400 5.075 ( -3.842 3.161 0.039) 4.975 5.186 ( 1.424 7.283 4.073) 8.465 5.506 ( -1.481 8.551 0.844) 8.719 6.045 ( -1.011 6.022 -1.154) 6.214 6.312 ( 6.483 -11.570 4.458) 13.992 6.401 ( -4.653 -0.078 -4.227) 6.287 8.288 ( -0.717 2.463 1.017) 2.759 9.011 ( 4.033 2.232 -3.094) 5.552 9.342 ( -2.651 13.597 -1.999) 13.997 10.245 ( 0.527 1.660 -0.618) 1.848 11.344 ( -4.802 -0.466 8.283) 9.586 11.858 ( 3.965 -1.731 -6.459) 7.774 12.541 ( -0.885 18.775 -0.337) 18.799 12.849 ( -0.288 7.129 -0.033) 7.135 13.321 ( 0.804 7.693 1.013) 7.801 13.831 ( -4.162 -12.151 -0.248) 12.847 14.184 ( 5.996 -0.448 -0.127) 6.014 15.501 ( 0.400 -1.152 -3.713) 3.909 15.857 ( -2.266 -2.632 0.593) 3.523 16.138 ( -2.423 -3.747 4.982) 6.688 18.170 ( 1.457 -0.587 0.026) 1.571 18.827 ( 1.433 2.915 -2.748) 4.254 ======================= Grid point 600 (279/481) ======================= q-point: (-0.06 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -1.909 9.617 4.235) 10.680 2.839 ( 4.696 14.088 9.860) 17.825 3.289 ( -2.144 0.444 -2.150) 3.069 3.522 ( 8.839 13.762 -0.954) 16.383 3.644 ( 2.486 12.153 -12.955) 17.936 3.993 ( -1.993 7.755 -3.391) 8.695 4.303 ( -0.132 9.694 1.982) 9.895 4.623 ( 1.581 11.359 0.592) 11.484 4.950 ( 1.029 13.285 1.394) 13.397 4.981 ( -2.925 11.388 1.166) 11.815 5.355 ( -2.081 6.250 2.315) 6.982 5.911 ( -0.365 6.199 -1.859) 6.482 6.370 ( -6.664 -1.800 -4.421) 8.197 6.636 ( 8.161 -15.569 6.276) 18.665 8.288 ( 0.144 -1.967 2.336) 3.057 8.799 ( 1.821 17.633 -4.628) 18.321 9.215 ( -1.112 1.287 -1.755) 2.444 10.152 ( 0.962 8.498 -0.107) 8.553 11.338 ( -5.619 0.778 7.849) 9.684 11.904 ( 4.640 -1.899 -6.080) 7.881 12.207 ( -1.624 14.747 -0.655) 14.850 12.677 ( -1.782 10.198 -0.307) 10.358 13.171 ( 3.442 7.809 0.380) 8.542 14.033 ( -3.787 -12.007 0.133) 12.591 14.263 ( 4.859 -2.188 0.077) 5.329 15.443 ( 2.346 5.736 -6.717) 9.139 15.912 ( -5.372 -5.296 2.730) 8.022 16.249 ( -2.983 -7.636 6.787) 10.643 18.180 ( 1.405 0.832 0.099) 1.635 18.755 ( 3.458 5.305 -5.009) 8.074 ======================= Grid point 606 (280/481) ======================= q-point: ( 0.31 0.31 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 12.986 0.000 -8.730) 15.648 2.031 ( 7.211 0.000 3.897) 8.197 2.200 ( 5.662 0.000 7.355) 9.282 2.915 ( -7.518 -0.000 -2.144) 7.818 2.969 ( 2.103 0.000 1.771) 2.749 2.981 ( 15.820 0.000 3.518) 16.206 3.175 ( -4.923 -0.000 -0.829) 4.993 3.711 ( -11.090 -0.000 0.139) 11.091 4.101 ( 14.258 0.000 10.269) 17.571 4.666 ( 9.923 0.000 -15.144) 18.105 4.972 ( -3.612 -0.000 -0.945) 3.733 5.836 ( -16.321 -0.000 -1.469) 16.387 6.422 ( 4.615 0.000 6.402) 7.892 6.591 ( -5.924 -0.000 0.075) 5.925 8.006 ( -2.502 -0.000 -0.260) 2.516 8.772 ( 0.079 0.000 -0.360) 0.369 8.958 ( 2.164 0.000 -17.619) 17.751 9.501 ( 2.665 0.000 -2.599) 3.722 11.357 ( -16.250 -0.000 -4.278) 16.803 11.535 ( 2.927 0.000 13.778) 14.085 11.751 ( 1.458 0.000 0.088) 1.460 12.850 ( -4.030 -0.000 0.845) 4.117 12.934 ( -0.431 -0.000 0.592) 0.732 13.087 ( 0.952 0.000 -0.385) 1.027 14.792 ( 0.418 0.000 -11.905) 11.912 15.774 ( 2.236 0.000 -7.263) 7.600 16.442 ( -0.219 -0.000 -0.022) 0.220 16.884 ( -2.247 -0.000 3.860) 4.466 17.541 ( 15.364 0.000 11.441) 19.156 17.949 ( 0.155 0.000 -0.017) 0.155 ======================= Grid point 607 (281/481) ======================= q-point: ( 0.38 0.31 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 11.049 -0.763 3.142) 11.512 2.205 ( 7.802 -17.848 -8.675) 21.323 2.450 ( 9.303 -15.069 8.278) 19.548 2.954 ( -7.887 -8.851 -2.963) 12.220 3.021 ( 4.465 -2.225 1.635) 5.250 3.109 ( -4.078 -8.604 1.047) 9.579 3.245 ( 7.955 -7.679 4.863) 12.079 3.673 ( -11.827 -3.302 -0.158) 12.280 4.209 ( 10.025 -1.013 1.993) 10.271 4.650 ( 9.180 2.325 -15.465) 18.134 4.964 ( -0.122 -0.120 5.431) 5.434 5.731 ( -14.078 0.722 -1.071) 14.137 6.419 ( 4.754 3.660 6.536) 8.872 6.713 ( -5.678 -14.003 1.091) 15.150 7.957 ( -1.500 3.519 -0.747) 3.897 8.872 ( 0.456 -6.146 -8.695) 10.658 8.907 ( 0.347 -3.476 -10.996) 11.537 9.465 ( 2.549 3.145 -1.874) 4.461 11.276 ( -13.182 -2.523 -3.520) 13.875 11.581 ( 2.779 1.700 13.640) 14.024 11.726 ( 2.867 3.154 -0.322) 4.274 12.723 ( -6.714 7.677 2.400) 10.478 13.126 ( 1.809 -15.425 -0.382) 15.536 13.198 ( 0.723 -11.113 0.151) 11.138 14.750 ( -0.056 0.356 -12.377) 12.382 15.426 ( 2.448 26.167 -3.896) 26.569 16.560 ( -6.143 -3.132 -1.375) 7.031 17.038 ( 5.083 -12.970 2.072) 14.083 17.364 ( 2.609 16.866 8.234) 18.949 18.226 ( 7.243 -18.240 2.583) 19.794 ======================= Grid point 608 (282/481) ======================= q-point: ( 0.44 0.31 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 15.703 -7.205 3.136) 17.559 2.587 ( 1.406 -20.990 -5.513) 21.747 2.849 ( 7.717 -16.782 3.756) 18.849 3.024 ( -5.908 -5.052 2.640) 8.209 3.147 ( 0.277 -10.249 -0.370) 10.259 3.362 ( 0.615 -16.884 1.705) 16.981 3.520 ( 6.142 -14.179 4.586) 16.118 3.717 ( -10.478 -9.119 0.602) 13.903 4.262 ( 0.742 -2.918 -7.368) 7.959 4.586 ( 6.004 3.579 -14.655) 16.237 5.027 ( 3.558 -2.362 11.838) 12.585 5.660 ( -9.229 -0.925 -0.113) 9.276 6.392 ( 4.880 4.819 6.797) 9.656 7.014 ( -4.646 -19.752 1.265) 20.330 7.866 ( -0.849 4.305 -2.016) 4.829 8.814 ( -1.241 0.196 -17.695) 17.740 9.037 ( 1.251 -1.970 -5.229) 5.726 9.515 ( 2.988 -9.954 4.026) 11.145 11.290 ( -7.969 -6.630 -2.948) 10.777 11.608 ( 3.310 1.012 10.004) 10.586 11.703 ( 1.406 0.043 2.188) 2.602 12.518 ( -7.707 10.387 2.462) 13.166 13.386 ( 4.942 -10.186 0.485) 11.332 13.542 ( 0.043 -22.447 0.476) 22.452 14.695 ( -1.481 1.307 -11.733) 11.898 14.959 ( 1.244 21.457 -3.606) 21.793 16.491 ( -6.392 4.051 -0.081) 7.568 16.867 ( 4.450 24.996 3.404) 25.616 17.541 ( -1.007 -21.020 3.064) 21.266 18.597 ( 7.988 -14.836 2.640) 17.056 ======================= Grid point 609 (283/481) ======================= q-point: ( 0.50 0.31 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 13.713 -8.765 3.752) 16.702 2.939 ( 0.588 -15.283 -3.092) 15.603 3.006 ( -6.176 -7.275 0.522) 9.557 3.257 ( 8.149 -9.517 5.107) 13.530 3.395 ( 1.111 -16.828 0.255) 16.867 3.697 ( -3.027 -18.245 0.800) 18.512 3.809 ( 3.266 -12.432 1.719) 12.968 3.923 ( -1.097 -14.125 1.562) 14.254 4.325 ( -7.328 -10.109 -9.733) 15.831 4.512 ( 1.437 0.570 -11.834) 11.934 5.156 ( 3.596 -4.237 13.170) 14.294 5.665 ( -3.474 -3.499 0.684) 4.978 6.339 ( 3.606 5.650 6.596) 9.404 7.290 ( -1.915 -6.249 -1.012) 6.614 7.858 ( -1.713 -9.360 -1.382) 9.615 8.772 ( -2.949 -3.082 -13.579) 14.233 8.967 ( 3.908 6.317 -6.156) 9.647 9.848 ( 2.745 -18.495 6.492) 19.793 11.376 ( -1.845 -4.048 0.430) 4.469 11.680 ( 2.600 -5.858 2.198) 6.776 11.780 ( -1.095 -7.368 5.899) 9.502 12.283 ( -7.107 9.656 0.840) 12.019 13.555 ( 6.099 -3.387 1.005) 7.048 13.946 ( -0.535 -18.356 0.570) 18.373 14.500 ( 1.997 14.565 -3.405) 15.091 14.767 ( -3.800 -3.453 -10.261) 11.474 16.366 ( -3.719 6.715 0.081) 7.676 16.430 ( -0.440 22.063 3.371) 22.324 17.893 ( 0.111 -15.267 1.568) 15.348 18.876 ( 6.582 -9.550 2.051) 11.778 ======================= Grid point 610 (284/481) ======================= q-point: ( 0.56 0.31 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 6.903 -5.410 5.367) 10.283 3.033 ( -4.192 -4.036 -1.454) 5.998 3.244 ( 2.826 -9.870 2.155) 10.490 3.464 ( 2.652 -10.397 -0.587) 10.746 3.726 ( 4.112 -15.434 0.739) 15.990 3.998 ( -0.837 -14.747 -1.230) 14.822 4.038 ( -3.300 -11.643 -2.378) 12.334 4.192 ( 6.414 -13.370 0.087) 14.830 4.415 ( -3.771 -5.074 -3.518) 7.235 4.612 ( -6.770 -15.539 -6.915) 18.306 5.300 ( 1.187 -5.068 11.688) 12.795 5.747 ( 0.491 -5.549 -0.065) 5.571 6.281 ( 2.836 4.487 6.889) 8.697 7.184 ( -1.915 11.277 -5.102) 12.524 8.180 ( -1.985 -20.941 1.190) 21.069 8.810 ( -5.992 -4.345 -5.521) 9.234 8.874 ( 8.697 1.137 -7.278) 11.397 10.205 ( 2.586 -14.640 6.042) 16.048 11.382 ( -0.561 3.385 6.156) 7.048 11.837 ( -0.440 -7.495 -2.483) 7.908 12.002 ( 1.592 -10.638 2.931) 11.149 12.164 ( -5.285 -6.530 -0.103) 8.402 13.583 ( 4.318 3.298 -0.151) 5.435 14.022 ( -2.585 10.098 0.368) 10.430 14.462 ( 5.686 -9.814 -1.606) 11.455 14.830 ( -4.836 -7.565 -7.785) 11.884 16.039 ( 0.649 17.877 1.161) 17.926 16.258 ( -4.724 4.315 1.754) 6.634 18.116 ( 0.248 -8.131 0.746) 8.169 19.044 ( 4.742 -4.302 1.390) 6.552 ======================= Grid point 611 (285/481) ======================= q-point: (-0.38 -0.69 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 1.387 -1.204 5.008) 5.334 3.074 ( -2.925 -3.054 -0.988) 4.343 3.369 ( -0.263 -3.117 2.845) 4.229 3.684 ( 3.649 -10.656 -3.568) 11.815 4.004 ( 3.515 -11.468 -0.783) 12.020 4.167 ( 5.925 -5.022 -4.403) 8.928 4.288 ( -4.608 -15.567 -1.638) 16.317 4.387 ( -3.500 -9.011 -0.329) 9.672 4.629 ( 5.826 -15.145 5.039) 16.992 4.819 ( -8.179 -12.034 -5.817) 15.670 5.427 ( -0.072 -4.069 9.032) 9.906 5.860 ( 0.915 -6.205 -2.206) 6.649 6.268 ( 3.164 1.053 7.459) 8.171 6.905 ( -2.738 14.027 -5.607) 15.352 8.494 ( -3.070 -12.572 0.777) 12.965 8.760 ( 1.780 2.935 -2.354) 4.162 9.071 ( 2.952 -15.985 -2.888) 16.510 10.435 ( 1.953 -6.096 4.110) 7.608 11.314 ( -3.433 4.347 8.457) 10.109 11.882 ( 1.619 -0.999 -6.684) 6.950 12.212 ( 0.133 -13.693 2.799) 13.977 12.467 ( -1.142 -19.873 -0.528) 19.913 13.520 ( 1.250 3.715 -1.099) 4.071 13.778 ( -0.617 13.049 0.502) 13.073 14.672 ( 5.232 -7.010 -0.640) 8.770 14.905 ( -4.657 -5.222 -4.366) 8.247 15.788 ( 0.759 9.189 -0.162) 9.222 16.176 ( -3.461 2.567 2.035) 4.766 18.214 ( 0.127 -2.436 0.158) 2.444 19.107 ( 2.763 0.122 0.805) 2.881 ======================= Grid point 612 (286/481) ======================= q-point: (-0.31 -0.69 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -1.402 1.365 2.922) 3.516 3.110 ( -2.260 -2.685 -0.466) 3.541 3.410 ( -1.959 -1.068 3.387) 4.057 3.845 ( 4.699 -5.081 -5.913) 9.103 4.192 ( 3.363 -7.370 -1.891) 8.319 4.254 ( -0.138 -4.389 -3.346) 5.521 4.472 ( -1.712 -7.099 4.923) 8.807 4.627 ( 2.511 -14.003 0.903) 14.255 4.880 ( -7.810 -6.023 0.842) 9.899 5.000 ( 4.219 -14.861 -3.959) 15.948 5.493 ( 0.380 0.039 4.902) 4.917 5.973 ( -0.268 -6.419 -2.057) 6.746 6.315 ( 2.987 -1.027 5.337) 6.202 6.623 ( -2.858 11.962 -3.421) 12.766 8.623 ( -6.129 -3.982 0.976) 7.374 8.739 ( 6.034 0.812 -1.317) 6.229 9.408 ( 1.361 -17.789 0.501) 17.848 10.472 ( 1.012 4.013 1.501) 4.403 11.265 ( -4.677 0.905 8.429) 9.682 11.896 ( 3.340 -1.051 -6.928) 7.763 12.509 ( -0.211 -16.475 1.969) 16.593 12.783 ( -0.205 -14.015 -1.204) 14.068 13.476 ( -1.681 1.309 -0.693) 2.241 13.556 ( 1.688 10.307 0.644) 10.464 14.736 ( 0.964 1.986 -0.639) 2.298 14.968 ( -0.448 -5.153 -1.557) 5.402 15.699 ( 0.866 1.231 -0.991) 1.803 16.133 ( -2.115 1.172 1.850) 3.045 18.225 ( 0.120 0.978 -0.158) 0.998 19.086 ( 0.910 3.097 0.372) 3.250 ======================= Grid point 613 (287/481) ======================= q-point: (-0.25 -0.69 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -1.932 1.717 1.563) 3.021 3.146 ( -1.308 -2.322 0.040) 2.665 3.409 ( -2.518 0.990 3.792) 4.659 3.887 ( 3.833 0.305 -7.904) 8.790 4.289 ( 3.198 -0.654 -1.309) 3.517 4.331 ( -2.620 -5.551 -1.593) 6.342 4.596 ( 2.421 -3.591 6.630) 7.919 4.856 ( -3.074 -6.760 2.257) 7.761 4.913 ( -2.646 -5.495 -1.948) 6.402 5.278 ( 4.438 -11.794 -2.539) 12.855 5.466 ( 1.088 3.384 0.416) 3.579 6.072 ( -1.187 -4.616 -0.380) 4.781 6.318 ( 0.698 4.551 -0.518) 4.633 6.454 ( -1.210 2.898 1.749) 3.594 8.597 ( -7.373 2.289 1.184) 7.810 8.785 ( 8.384 -1.289 -0.564) 8.501 9.736 ( -0.310 -16.500 1.019) 16.535 10.318 ( 0.181 12.483 -0.547) 12.497 11.276 ( -4.658 -1.503 8.332) 9.664 11.897 ( 3.506 0.741 -6.771) 7.660 12.811 ( 0.040 -14.410 0.855) 14.435 12.991 ( -0.288 -9.136 -0.993) 9.194 13.359 ( -0.462 7.413 1.596) 7.597 13.481 ( 0.085 1.983 -0.903) 2.181 14.638 ( 0.038 7.701 -0.545) 7.721 15.088 ( 0.965 -7.743 -0.496) 7.818 15.717 ( 0.481 -2.328 -0.666) 2.469 16.112 ( -1.068 0.691 1.223) 1.765 18.194 ( 0.437 1.961 -0.228) 2.022 19.017 ( -0.368 4.209 0.056) 4.225 ======================= Grid point 614 (288/481) ======================= q-point: (-0.19 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -1.315 1.592 1.199) 2.388 3.179 ( -0.480 -1.566 0.325) 1.670 3.369 ( -2.397 3.144 4.210) 5.775 3.848 ( 3.656 2.706 -8.532) 9.668 4.275 ( 0.250 2.497 -0.579) 2.575 4.357 ( -0.322 2.076 -2.011) 2.909 4.652 ( 2.444 2.167 6.735) 7.486 4.873 ( -5.066 -1.878 -3.338) 6.351 5.045 ( 0.082 -5.295 3.322) 6.252 5.365 ( 4.537 4.497 0.864) 6.446 5.511 ( 1.175 -8.145 -3.852) 9.086 6.117 ( -1.374 -0.793 0.748) 1.754 6.219 ( 0.217 4.098 -0.259) 4.112 6.435 ( -1.220 0.768 0.127) 1.447 8.483 ( -5.069 5.773 0.928) 7.738 8.877 ( 7.260 -3.759 -0.664) 8.202 9.984 ( -5.677 1.254 -1.388) 5.977 10.056 ( 4.170 3.504 0.166) 5.449 11.307 ( -4.696 -1.421 8.507) 9.820 11.870 ( 3.592 1.633 -6.791) 7.854 12.994 ( 0.064 -2.832 0.134) 2.836 13.079 ( 0.107 2.242 -0.448) 2.289 13.293 ( 0.170 -1.601 2.178) 2.708 13.457 ( -2.426 -3.052 -1.151) 4.065 14.467 ( 2.932 10.789 -0.331) 11.185 15.252 ( -0.643 -9.235 -0.633) 9.279 15.768 ( -0.164 -2.797 -0.168) 2.807 16.101 ( -0.636 0.410 1.128) 1.358 18.168 ( 1.124 1.058 -0.155) 1.551 18.937 ( -0.629 3.666 -0.352) 3.736 ======================= Grid point 615 (289/481) ======================= q-point: (-0.12 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -0.706 2.446 1.248) 2.835 3.191 ( 0.635 1.365 1.892) 2.418 3.300 ( -1.969 3.679 3.671) 5.558 3.783 ( 5.229 3.774 -9.130) 11.178 4.191 ( 1.868 9.169 1.095) 9.422 4.234 ( -2.559 6.787 -4.350) 8.458 4.595 ( 1.020 6.328 5.401) 8.382 4.861 ( -1.128 0.464 -3.903) 4.089 5.101 ( -1.944 0.268 2.797) 3.417 5.311 ( 4.303 4.305 2.031) 6.417 5.593 ( -1.238 0.188 -1.482) 1.940 6.110 ( -1.485 1.616 0.224) 2.207 6.194 ( 2.284 -2.516 0.141) 3.401 6.399 ( -1.485 1.452 -0.948) 2.284 8.356 ( -2.531 5.040 0.530) 5.665 8.991 ( 6.164 -4.136 -1.255) 7.528 9.645 ( -3.282 19.145 -2.112) 19.538 10.209 ( 1.255 -5.940 -0.075) 6.071 11.329 ( -4.988 -0.976 8.463) 9.872 11.846 ( 3.804 0.467 -6.767) 7.777 12.868 ( -1.336 15.421 -0.278) 15.482 12.969 ( 0.982 5.713 0.393) 5.810 13.375 ( 0.370 -2.634 1.330) 2.974 13.581 ( -4.523 -11.043 -0.636) 11.950 14.301 ( 6.671 8.357 -0.264) 10.696 15.398 ( -2.469 -7.114 -1.601) 7.699 15.810 ( -1.098 -2.024 -0.134) 2.307 16.103 ( -0.912 -0.705 2.555) 2.803 18.170 ( 1.938 -0.322 -0.032) 1.965 18.875 ( 0.320 2.588 -1.136) 2.844 ======================= Grid point 616 (290/481) ======================= q-point: (-0.06 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -0.145 4.806 1.902) 5.171 3.115 ( 3.079 9.127 7.086) 11.958 3.265 ( -2.234 -0.206 -0.182) 2.251 3.709 ( 7.909 4.854 -9.814) 13.507 3.924 ( 0.824 17.000 -3.305) 17.338 4.109 ( -1.193 6.350 -1.061) 6.548 4.478 ( 0.615 8.232 3.422) 8.936 4.795 ( 0.445 5.854 -2.949) 6.570 5.041 ( -3.572 4.459 2.109) 6.090 5.240 ( 3.448 8.142 3.386) 9.468 5.486 ( -2.542 7.776 0.117) 8.182 6.017 ( -2.336 5.961 -1.046) 6.487 6.280 ( -4.975 -2.580 -5.162) 7.619 6.460 ( 7.711 -9.502 5.083) 13.251 8.287 ( -0.178 1.384 0.767) 1.592 9.052 ( 6.133 4.012 -2.557) 7.762 9.284 ( -5.118 13.100 -1.651) 14.161 10.257 ( 1.893 1.703 -0.123) 2.549 11.338 ( -5.412 -0.152 7.969) 9.634 11.860 ( 3.971 -2.011 -6.639) 7.993 12.526 ( -1.371 18.798 -0.060) 18.848 12.845 ( -0.395 8.262 0.059) 8.272 13.341 ( 1.624 6.607 0.812) 6.852 13.776 ( -4.952 -12.485 -0.119) 13.432 14.268 ( 8.195 0.141 -0.273) 8.201 15.460 ( -3.054 -1.806 -3.769) 5.176 15.831 ( -2.917 -1.690 0.511) 3.409 16.147 ( -1.667 -3.846 4.865) 6.422 18.194 ( 2.296 -0.488 0.092) 2.349 18.831 ( 2.344 2.626 -2.408) 4.264 ======================= Grid point 623 (291/481) ======================= q-point: ( 0.38 0.38 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 5.702 0.000 -7.483) 9.408 2.187 ( 14.685 0.000 4.583) 15.383 2.370 ( 12.715 0.000 6.672) 14.359 2.785 ( -9.962 -0.000 -4.352) 10.871 3.003 ( -10.376 -0.000 0.963) 10.421 3.009 ( 1.139 0.000 2.662) 2.896 3.255 ( 11.562 0.000 5.137) 12.652 3.576 ( -10.903 -0.000 -0.359) 10.909 4.250 ( 5.640 0.000 -4.175) 7.017 4.676 ( 9.359 0.000 -16.146) 18.663 5.004 ( 4.395 0.000 10.812) 11.671 5.653 ( -13.261 -0.000 -0.454) 13.269 6.522 ( 3.901 0.000 8.319) 9.188 6.529 ( -4.650 -0.000 0.129) 4.652 7.984 ( -1.024 -0.000 -0.008) 1.024 8.771 ( 0.074 0.000 -0.427) 0.434 8.842 ( 0.141 0.000 -20.933) 20.933 9.493 ( 0.228 0.000 -5.070) 5.075 11.167 ( -12.105 -0.000 -2.033) 12.274 11.662 ( 0.310 0.000 16.791) 16.794 11.790 ( 7.354 0.000 -3.436) 8.117 12.791 ( -6.934 -0.000 1.076) 7.017 12.934 ( -0.380 -0.000 0.656) 0.758 13.094 ( 0.762 0.000 -0.420) 0.870 14.722 ( 1.605 0.000 -12.654) 12.755 15.747 ( 0.720 0.000 -5.280) 5.329 16.439 ( -0.177 -0.000 -0.040) 0.182 16.883 ( -2.604 -0.000 4.764) 5.430 17.768 ( 11.674 0.000 9.195) 14.860 17.951 ( 0.132 0.000 0.000) 0.132 ======================= Grid point 624 (292/481) ======================= q-point: ( 0.44 0.38 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 5.442 -12.859 -2.709) 14.223 2.303 ( 16.542 -4.396 1.360) 17.170 2.616 ( 10.055 -13.656 4.891) 17.650 2.831 ( -9.458 -10.173 -1.901) 14.020 2.977 ( -10.569 -5.238 2.965) 12.162 3.112 ( 1.148 -9.434 1.581) 9.634 3.381 ( 6.499 -6.005 3.684) 9.584 3.547 ( -8.333 -3.098 0.273) 8.894 4.230 ( -0.213 1.047 -10.255) 10.310 4.641 ( 6.909 3.105 -16.216) 17.898 5.081 ( 6.409 -0.163 15.059) 16.367 5.593 ( -8.266 -0.685 1.032) 8.358 6.520 ( 4.465 2.604 7.223) 8.883 6.660 ( -4.844 -13.108 1.559) 14.061 7.944 ( -0.008 3.753 -0.677) 3.813 8.753 ( -1.320 0.755 -20.652) 20.708 8.883 ( 0.092 -9.768 -1.857) 9.944 9.460 ( 0.162 0.249 -4.249) 4.260 11.131 ( -8.747 -3.473 -1.144) 9.481 11.690 ( -3.205 1.875 17.544) 17.933 11.783 ( 11.063 4.024 -5.443) 12.970 12.656 ( -7.865 7.804 3.358) 11.577 13.136 ( 0.424 -17.402 -0.490) 17.414 13.207 ( 0.754 -11.010 -0.074) 11.036 14.674 ( 1.450 1.480 -13.123) 13.285 15.424 ( 1.341 25.342 -3.140) 25.571 16.493 ( -4.334 -0.849 -0.490) 4.443 17.100 ( 2.574 -19.106 3.276) 19.555 17.429 ( 1.341 24.722 4.994) 25.257 18.323 ( 5.743 -19.860 3.453) 20.960 ======================= Grid point 625 (293/481) ======================= q-point: ( 0.50 0.38 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 15.533 -8.058 3.600) 17.865 2.582 ( 2.914 -18.403 -2.682) 18.824 2.843 ( -7.490 -6.562 0.166) 9.960 3.060 ( 3.914 -18.068 5.666) 19.336 3.151 ( 0.512 -11.580 3.899) 12.230 3.363 ( -1.979 -15.962 -0.184) 16.086 3.589 ( -5.711 -15.377 -0.340) 16.407 3.618 ( -0.070 -8.155 2.514) 8.534 4.167 ( -3.347 -0.559 -13.078) 13.511 4.543 ( 2.869 4.327 -14.005) 14.936 5.178 ( 4.785 -1.313 14.337) 15.172 5.599 ( -1.562 -2.278 3.034) 4.103 6.489 ( 3.105 5.447 7.704) 9.933 6.973 ( -3.238 -20.599 0.572) 20.859 7.850 ( 0.514 5.164 -2.567) 5.790 8.667 ( -3.322 -0.607 -18.108) 18.420 9.009 ( 0.716 -2.115 -6.455) 6.830 9.564 ( 1.573 -13.096 2.662) 13.456 11.197 ( -5.348 -8.331 -1.049) 9.955 11.700 ( -3.544 -0.448 13.888) 14.340 11.758 ( 10.644 3.442 -3.463) 11.710 12.447 ( -7.823 10.686 3.780) 13.772 13.433 ( 2.621 -12.197 0.738) 12.497 13.544 ( -0.134 -22.779 0.005) 22.780 14.607 ( 0.774 1.273 -13.288) 13.371 14.950 ( 0.643 23.104 -2.471) 23.244 16.427 ( -4.724 3.798 0.350) 6.071 16.927 ( 2.249 27.297 2.784) 27.531 17.554 ( 0.020 -21.537 2.763) 21.713 18.693 ( 5.188 -14.773 3.039) 15.950 ======================= Grid point 626 (294/481) ======================= q-point: (-0.44 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 7.150 -5.664 5.759) 10.788 2.909 ( -1.283 -8.162 -0.402) 8.272 2.972 ( -0.567 -17.494 0.278) 17.505 3.342 ( 2.252 -6.661 1.223) 7.137 3.447 ( 4.973 -16.649 4.599) 17.974 3.629 ( -6.928 -16.884 -0.677) 18.262 3.827 ( -2.288 -13.367 0.998) 13.598 3.923 ( -0.313 -18.637 -0.803) 18.657 4.188 ( -2.769 -10.183 -11.539) 15.637 4.451 ( 0.686 1.433 -9.570) 9.701 5.278 ( 1.693 -2.674 12.040) 12.449 5.671 ( 2.390 -3.552 3.237) 5.367 6.419 ( 1.854 5.856 7.718) 9.864 7.249 ( -2.843 -5.121 -3.233) 6.690 7.843 ( 0.695 -9.827 -1.389) 9.949 8.637 ( -5.112 -4.562 -12.210) 14.000 8.964 ( 3.493 3.674 -7.687) 9.208 9.917 ( 1.765 -19.065 5.922) 20.041 11.349 ( -2.682 -8.687 0.403) 9.100 11.756 ( 7.218 0.447 1.873) 7.470 11.798 ( -2.681 -8.145 6.100) 10.523 12.217 ( -5.488 9.537 1.585) 11.117 13.612 ( 2.246 -3.810 1.179) 4.578 13.944 ( -0.377 -17.373 0.646) 17.389 14.505 ( 3.960 10.265 -5.515) 12.307 14.666 ( -2.636 -0.360 -8.641) 9.042 16.321 ( -3.978 4.776 1.006) 6.297 16.451 ( 0.417 24.440 1.982) 24.524 17.909 ( 0.741 -14.885 1.616) 14.991 18.951 ( 3.817 -9.081 2.198) 10.093 ======================= Grid point 627 (295/481) ======================= q-point: (-0.38 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -1.382 -3.928 6.989) 8.135 2.995 ( -0.931 -3.164 -0.226) 3.306 3.276 ( 0.736 -9.727 1.623) 9.889 3.474 ( 1.009 -10.351 -2.800) 10.771 3.764 ( 0.957 -13.992 1.439) 14.099 3.931 ( -4.133 -18.103 -0.673) 18.581 4.055 ( 3.494 -11.846 0.056) 12.351 4.180 ( -1.810 -9.147 -6.564) 11.403 4.424 ( 3.433 -15.075 -5.633) 16.455 4.507 ( -2.670 -11.177 -0.417) 11.500 5.381 ( -0.338 -3.899 10.605) 11.304 5.764 ( 2.134 -4.086 0.076) 4.611 6.362 ( 2.322 3.979 8.734) 9.875 7.110 ( -3.659 11.475 -7.445) 14.160 8.176 ( -0.191 -19.704 1.328) 19.750 8.699 ( -6.694 -8.039 -5.216) 11.690 8.919 ( 7.322 -0.129 -7.120) 10.214 10.267 ( 1.224 -14.299 5.643) 15.421 11.411 ( -1.675 2.462 6.386) 7.046 11.816 ( -0.743 -3.879 -2.387) 4.615 12.037 ( 1.257 -11.393 2.776) 11.794 12.126 ( -0.824 -7.665 -0.147) 7.711 13.606 ( -0.147 4.159 -0.261) 4.170 14.010 ( 0.162 9.684 0.429) 9.695 14.513 ( 4.274 -10.314 -1.162) 11.225 14.735 ( -2.060 -8.068 -8.013) 11.556 16.054 ( 0.788 18.186 0.823) 18.222 16.221 ( -3.549 3.885 1.784) 5.557 18.126 ( 0.611 -7.667 0.766) 7.730 19.093 ( 2.075 -3.700 1.297) 4.436 ======================= Grid point 628 (296/481) ======================= q-point: (-0.31 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( -2.888 0.013 5.557) 6.263 3.032 ( -3.625 -3.246 -0.913) 4.951 3.370 ( -2.327 -2.825 2.369) 4.360 3.710 ( 5.063 -10.941 -3.437) 12.536 3.983 ( -4.382 -11.166 -0.746) 12.018 4.199 ( 2.457 -3.418 -8.525) 9.508 4.264 ( 3.056 -15.691 1.768) 16.084 4.364 ( -0.554 -14.619 2.103) 14.780 4.693 ( -7.144 -11.562 -4.181) 14.220 4.746 ( 8.808 -13.614 2.550) 16.415 5.480 ( -0.889 -3.216 8.408) 9.046 5.850 ( 0.280 -5.179 -2.824) 5.905 6.360 ( 3.243 1.324 8.920) 9.583 6.822 ( -4.120 13.095 -7.287) 15.542 8.457 ( -4.209 -10.329 1.101) 11.208 8.764 ( 1.610 -2.226 -2.284) 3.573 9.089 ( 3.199 -15.346 -2.969) 15.954 10.475 ( 0.419 -5.264 3.609) 6.396 11.330 ( -3.699 5.401 8.956) 11.094 11.854 ( 1.350 -2.446 -6.853) 7.401 12.232 ( 0.296 -12.845 2.538) 13.097 12.461 ( 0.761 -19.604 -0.539) 19.626 13.508 ( -1.937 4.083 -0.960) 4.620 13.790 ( 1.988 12.720 0.338) 12.879 14.701 ( -0.991 -5.688 -0.387) 5.787 14.853 ( 2.145 -7.253 -4.359) 8.730 15.801 ( 1.713 9.523 -0.441) 9.686 16.154 ( -2.731 2.062 2.322) 4.135 18.219 ( 0.456 -2.123 0.169) 2.178 19.128 ( 0.197 0.663 0.552) 0.885 ======================= Grid point 629 (297/481) ======================= q-point: (-0.25 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -2.960 1.888 2.914) 4.563 3.080 ( -2.786 -3.752 0.354) 4.687 3.400 ( -3.258 -1.239 2.938) 4.559 3.863 ( 5.361 -3.513 -6.541) 9.158 4.146 ( -5.795 -9.740 -1.478) 11.429 4.254 ( 1.473 -4.007 -2.928) 5.177 4.522 ( 2.814 -8.775 5.148) 10.555 4.667 ( 3.872 -14.686 0.285) 15.190 4.785 ( -6.254 -4.596 -1.078) 7.836 5.055 ( 6.741 -13.436 -1.406) 15.098 5.524 ( -0.260 0.784 4.143) 4.224 5.951 ( -0.973 -6.552 -2.017) 6.925 6.387 ( 2.950 1.417 5.795) 6.655 6.557 ( -3.998 9.523 -4.250) 11.168 8.537 ( -8.342 -2.943 0.945) 8.896 8.827 ( 9.270 -1.392 -1.185) 9.448 9.412 ( -0.916 -17.677 0.135) 17.702 10.487 ( -0.039 4.846 1.121) 4.974 11.270 ( -4.409 1.335 8.633) 9.785 11.884 ( 2.670 -1.650 -7.042) 7.709 12.520 ( -0.213 -16.201 1.796) 16.302 12.777 ( 0.421 -13.584 -1.018) 13.628 13.447 ( -2.608 1.546 -0.251) 3.042 13.587 ( 2.975 9.920 0.225) 10.359 14.709 ( -4.470 1.368 -0.782) 4.739 14.989 ( 5.205 -5.212 -1.400) 7.498 15.708 ( 1.878 1.752 -1.030) 2.767 16.123 ( -1.742 0.829 2.172) 2.905 18.228 ( 0.567 1.045 -0.121) 1.195 19.085 ( -1.321 3.357 0.088) 3.609 ======================= Grid point 630 (298/481) ======================= q-point: (-0.19 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -1.849 1.508 1.967) 3.092 3.134 ( -1.185 -2.907 0.776) 3.234 3.398 ( -3.522 0.432 3.411) 4.922 3.880 ( 4.296 1.121 -8.232) 9.353 4.243 ( -5.312 -4.354 -2.290) 7.241 4.337 ( 1.665 -3.459 0.041) 3.839 4.680 ( 3.518 -4.422 5.151) 7.646 4.793 ( -4.853 -1.658 0.807) 5.191 4.934 ( 3.259 -9.281 1.090) 9.897 5.308 ( 4.146 -11.151 -3.424) 12.379 5.482 ( 1.247 4.059 0.200) 4.251 6.052 ( -1.627 -4.938 -0.373) 5.213 6.318 ( -0.170 6.389 -0.803) 6.441 6.451 ( -1.253 1.314 2.041) 2.732 8.509 ( -8.120 0.909 0.744) 8.205 8.896 ( 10.425 -0.280 -0.344) 10.435 9.723 ( -2.644 -16.260 0.393) 16.478 10.316 ( 0.024 12.794 -0.329) 12.798 11.278 ( -4.649 -1.424 8.322) 9.638 11.889 ( 2.904 0.403 -6.863) 7.463 12.818 ( 0.193 -14.224 0.666) 14.241 12.981 ( -0.419 -9.083 -0.715) 9.120 13.365 ( -0.173 5.896 1.445) 6.073 13.475 ( 0.030 4.097 -0.732) 4.162 14.627 ( -1.393 5.014 -0.629) 5.242 15.106 ( 2.788 -5.750 -0.572) 6.415 15.722 ( 1.131 -1.867 -0.523) 2.245 16.110 ( -0.922 0.551 1.440) 1.796 18.202 ( 1.019 1.779 -0.164) 2.057 19.003 ( -1.909 4.050 -0.171) 4.481 ======================= Grid point 631 (299/481) ======================= q-point: (-0.12 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( -0.752 1.407 1.731) 2.354 3.177 ( -0.249 -1.883 0.506) 1.965 3.368 ( -2.709 2.218 4.296) 5.542 3.841 ( 4.769 2.572 -8.436) 10.026 4.247 ( -3.204 0.236 -1.889) 3.727 4.350 ( 0.675 3.547 -0.617) 3.663 4.732 ( 3.135 4.190 7.044) 8.775 4.803 ( -3.688 -3.220 -2.662) 5.573 5.072 ( 0.593 -3.726 3.363) 5.054 5.418 ( 4.151 3.903 -0.787) 5.752 5.495 ( 0.813 -8.028 -4.081) 9.043 6.103 ( -1.701 -1.482 0.577) 2.329 6.222 ( 0.538 3.322 -0.078) 3.366 6.421 ( -1.509 1.833 0.578) 2.443 8.424 ( -5.254 3.750 0.470) 6.472 8.968 ( 8.400 -1.912 -0.481) 8.628 9.907 ( -5.470 3.627 -1.827) 6.813 10.102 ( 3.006 1.331 0.858) 3.398 11.306 ( -5.048 -1.388 8.286) 9.801 11.865 ( 3.486 1.321 -6.896) 7.839 12.996 ( 0.066 -2.242 0.104) 2.246 13.076 ( -0.026 1.277 -0.476) 1.364 13.311 ( 0.518 -1.439 2.077) 2.579 13.416 ( -3.047 -1.553 -0.895) 3.535 14.505 ( 3.774 8.295 -0.515) 9.127 15.236 ( -1.249 -7.472 -0.686) 7.606 15.766 ( -0.048 -2.158 0.023) 2.159 16.102 ( -0.454 0.195 1.225) 1.321 18.184 ( 1.689 0.725 -0.080) 1.840 18.923 ( -1.181 3.110 -0.475) 3.360 ======================= Grid point 632 (300/481) ======================= q-point: (-0.06 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 0.018 2.262 1.748) 2.859 3.203 ( 0.156 -0.641 0.184) 0.685 3.313 ( -1.092 4.156 5.485) 6.968 3.791 ( 6.653 3.122 -9.110) 11.705 4.170 ( -2.801 7.707 -5.314) 9.772 4.223 ( 1.728 7.871 2.560) 8.455 4.647 ( 1.647 7.596 5.415) 9.472 4.821 ( -1.909 -0.754 -3.168) 3.775 5.102 ( -1.685 1.789 3.612) 4.368 5.370 ( 4.270 3.955 0.294) 5.828 5.557 ( -2.527 0.545 -2.453) 3.563 6.085 ( -2.487 2.778 0.047) 3.729 6.213 ( 1.882 -1.355 -1.795) 2.932 6.398 ( 0.435 -1.542 1.975) 2.543 8.333 ( -1.501 3.391 0.262) 3.718 9.057 ( 5.735 -3.044 -0.916) 6.557 9.590 ( -3.636 19.314 -1.668) 19.724 10.229 ( 2.022 -5.751 0.284) 6.103 11.323 ( -5.528 -0.821 8.194) 9.918 11.846 ( 4.104 0.311 -6.916) 8.048 12.848 ( -1.682 15.299 -0.169) 15.392 12.984 ( 1.112 6.389 0.194) 6.488 13.389 ( 0.435 -2.483 1.190) 2.787 13.524 ( -4.478 -10.675 -0.361) 11.582 14.385 ( 7.827 6.784 -0.432) 10.366 15.347 ( -4.373 -5.997 -1.563) 7.585 15.794 ( -1.455 -1.243 -0.060) 1.915 16.111 ( -0.571 -1.032 2.478) 2.744 18.195 ( 2.176 -0.576 0.032) 2.252 18.874 ( 0.845 1.814 -1.058) 2.264 ======================= Grid point 640 (301/481) ======================= q-point: ( 0.44 0.44 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 4.262 0.000 -4.348) 6.088 2.420 ( 18.805 0.000 5.389) 19.562 2.544 ( 9.555 0.000 2.595) 9.901 2.641 ( -8.605 -0.000 -2.800) 9.049 2.871 ( -14.313 -0.000 4.952) 15.146 3.027 ( -0.433 -0.000 1.827) 1.878 3.351 ( -2.156 -0.000 -0.364) 2.186 3.504 ( 0.544 0.000 3.255) 3.300 4.198 ( -2.431 -0.000 -12.554) 12.787 4.652 ( 4.368 0.000 -16.806) 17.365 5.169 ( 4.821 0.000 15.253) 15.996 5.561 ( -1.907 -0.000 3.849) 4.295 6.488 ( -2.541 -0.000 0.167) 2.547 6.617 ( 2.290 0.000 8.970) 9.257 7.983 ( 0.662 0.000 0.083) 0.668 8.686 ( -1.628 -0.000 -23.047) 23.104 8.768 ( 0.079 0.000 -0.463) 0.470 9.438 ( -2.234 -0.000 -7.844) 8.156 11.055 ( -6.247 -0.000 0.480) 6.266 11.744 ( -6.513 -0.000 18.110) 19.245 11.887 ( 15.026 0.000 -6.575) 16.402 12.713 ( -7.889 -0.000 2.243) 8.201 12.934 ( -0.313 -0.000 0.693) 0.761 13.098 ( 0.488 0.000 -0.442) 0.658 14.660 ( 2.510 0.000 -13.255) 13.490 15.723 ( 0.561 0.000 -4.121) 4.159 16.437 ( -0.105 -0.000 -0.054) 0.118 16.887 ( -2.431 -0.000 5.059) 5.612 17.932 ( 6.970 0.000 7.777) 10.444 17.952 ( 0.089 0.000 0.013) 0.090 ======================= Grid point 641 (302/481) ======================= q-point: (-0.50 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 2.024 -14.900 -2.932) 15.320 2.527 ( 12.548 -0.825 2.506) 12.823 2.672 ( -1.310 -9.330 0.099) 9.422 2.789 ( 2.637 -13.767 3.573) 14.465 2.885 ( -8.415 -10.014 6.371) 14.549 3.126 ( -0.105 -9.273 1.450) 9.386 3.358 ( -7.837 -4.990 -1.986) 9.500 3.550 ( 3.461 -2.097 2.808) 4.925 4.121 ( -3.378 1.447 -13.066) 13.573 4.578 ( -0.156 3.069 -15.556) 15.857 5.232 ( 1.766 -0.183 11.676) 11.810 5.599 ( 5.503 -0.545 7.656) 9.444 6.609 ( 3.065 -6.996 2.967) 8.194 6.627 ( -3.131 -3.395 5.904) 7.496 7.947 ( 1.458 4.313 -1.269) 4.726 8.585 ( -3.106 0.692 -21.471) 21.705 8.870 ( 0.039 -8.863 -2.226) 9.138 9.415 ( -1.799 -3.261 -5.985) 7.049 11.060 ( -3.549 -3.393 1.023) 5.015 11.731 ( -7.150 2.079 13.947) 15.810 11.908 ( 15.542 4.469 -4.680) 16.835 12.592 ( -7.767 7.570 5.195) 12.026 13.133 ( -0.195 -18.107 -0.388) 18.113 13.214 ( 0.584 -11.257 -0.128) 11.273 14.609 ( 2.554 2.135 -13.640) 14.040 15.416 ( 0.824 24.853 -2.765) 25.019 16.452 ( -2.635 0.738 0.078) 2.738 17.138 ( -0.353 -22.006 3.868) 22.346 17.471 ( 1.681 27.898 3.113) 28.121 18.400 ( 3.419 -20.337 3.688) 20.950 ======================= Grid point 642 (303/481) ======================= q-point: (-0.44 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 0.023 -18.701 -0.308) 18.704 2.599 ( -7.482 -7.056 1.059) 10.339 2.849 ( 11.868 -5.471 5.831) 14.310 3.108 ( 0.223 -16.519 2.528) 16.713 3.219 ( 1.894 -20.537 5.260) 21.284 3.324 ( -1.756 -10.762 0.108) 10.905 3.472 ( -8.751 -14.652 -2.591) 17.262 3.652 ( 0.265 -8.184 0.872) 8.235 4.051 ( -1.231 -1.063 -11.781) 11.893 4.461 ( -1.697 2.860 -12.906) 13.328 5.284 ( 0.256 -1.259 9.046) 9.137 5.678 ( 7.344 -0.637 8.048) 10.914 6.561 ( 0.191 5.612 8.220) 9.955 6.950 ( -0.896 -19.915 -0.170) 19.936 7.841 ( 1.837 5.789 -4.359) 7.475 8.504 ( -4.890 -1.706 -15.977) 16.795 8.970 ( 0.470 -2.010 -7.212) 7.502 9.587 ( -0.065 -16.684 1.474) 16.749 11.155 ( -1.787 -8.091 0.668) 8.313 11.715 ( -5.487 -1.281 8.064) 9.838 11.890 ( 13.235 5.235 -0.774) 14.254 12.391 ( -6.980 10.787 5.506) 13.978 13.459 ( 0.720 -12.810 1.120) 12.879 13.539 ( -0.523 -23.430 0.005) 23.436 14.538 ( 3.129 1.349 -14.112) 14.517 14.940 ( 0.292 23.649 -2.039) 23.738 16.387 ( -2.953 3.932 0.805) 4.983 16.953 ( -0.818 27.712 2.468) 27.834 17.581 ( 1.841 -21.181 2.361) 21.392 18.757 ( 2.620 -14.622 2.912) 15.138 ======================= Grid point 643 (304/481) ======================= q-point: (-0.38 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -11.729 -7.201 5.534) 14.834 2.911 ( -2.292 -13.753 -0.904) 13.972 3.041 ( 10.703 -9.288 4.870) 14.985 3.314 ( -5.562 -6.849 -4.366) 9.844 3.535 ( 4.295 -12.704 3.363) 13.826 3.587 ( 1.069 -17.004 2.349) 17.199 3.779 ( -5.701 -17.061 1.965) 18.095 3.907 ( -1.643 -19.593 -0.950) 19.684 4.110 ( 2.260 -9.336 -11.766) 15.189 4.403 ( 0.518 -2.213 -7.585) 7.918 5.348 ( -0.934 -2.732 8.798) 9.259 5.748 ( 5.110 -0.542 4.203) 6.638 6.487 ( 0.651 5.063 8.948) 10.302 7.182 ( -3.761 -2.013 -5.274) 6.784 7.856 ( 3.345 -11.349 -1.853) 11.975 8.498 ( -6.321 -5.718 -9.184) 12.529 8.949 ( 3.058 1.183 -8.056) 8.698 9.963 ( -0.011 -19.983 4.604) 20.506 11.327 ( -1.880 -9.778 1.400) 10.055 11.782 ( -2.566 -5.016 0.690) 5.677 11.875 ( 7.178 1.204 5.749) 9.275 12.182 ( -2.387 8.320 1.895) 8.861 13.621 ( -2.206 -3.235 1.374) 4.150 13.949 ( 0.340 -17.502 1.037) 17.536 14.518 ( 6.243 4.080 -8.249) 11.120 14.593 ( -1.348 4.727 -6.155) 7.877 16.291 ( -2.755 4.726 1.558) 5.688 16.463 ( -0.401 24.356 1.599) 24.411 17.932 ( 1.403 -14.259 1.404) 14.397 18.994 ( 1.352 -8.590 1.796) 8.879 ======================= Grid point 644 (305/481) ======================= q-point: (-0.31 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -10.338 -7.163 7.223) 14.503 2.969 ( -5.333 -0.501 -1.930) 5.694 3.294 ( 0.173 -5.469 2.852) 6.171 3.467 ( 2.710 -15.791 -3.318) 16.361 3.768 ( -1.426 -9.366 1.316) 9.565 3.927 ( 2.553 -17.932 0.346) 18.116 4.069 ( -4.300 -16.055 3.159) 16.919 4.147 ( 6.935 -5.911 -9.220) 12.963 4.354 ( -3.256 -18.373 -5.518) 19.458 4.559 ( 5.534 -12.744 0.613) 13.908 5.433 ( -1.794 -3.848 9.260) 10.187 5.786 ( 1.789 -1.240 -1.210) 2.490 6.451 ( 2.162 3.024 9.929) 10.602 7.004 ( -4.973 11.524 -8.632) 15.233 8.195 ( 1.745 -17.385 1.713) 17.556 8.588 ( -7.045 -10.596 -4.155) 13.386 8.951 ( 6.259 -2.369 -6.830) 9.562 10.304 ( -0.824 -14.151 4.406) 14.844 11.427 ( -3.100 0.874 6.725) 7.457 11.784 ( -1.728 -1.197 -2.565) 3.316 12.070 ( 1.545 -10.480 2.265) 10.833 12.145 ( 4.107 -8.177 -0.120) 9.151 13.578 ( -4.296 4.399 -0.038) 6.149 14.030 ( 2.700 9.383 0.279) 9.768 14.528 ( -1.625 -9.674 -0.089) 9.809 14.694 ( 5.286 -9.205 -8.699) 13.724 16.068 ( 0.947 17.775 0.442) 17.806 16.201 ( -2.443 3.805 2.580) 5.206 18.140 ( 0.895 -7.161 0.623) 7.243 19.109 ( -0.377 -3.090 0.685) 3.187 ======================= Grid point 645 (306/481) ======================= q-point: (-0.25 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -6.899 -0.796 5.727) 9.001 2.967 ( -6.544 -5.145 -1.170) 8.406 3.355 ( -2.235 -2.286 1.785) 3.661 3.753 ( 5.931 -10.593 -3.300) 12.581 3.922 ( -5.360 -9.581 -0.206) 10.980 4.143 ( -2.211 -6.231 -5.626) 8.681 4.329 ( 5.776 -14.691 -0.257) 15.788 4.393 ( 2.442 -15.276 1.236) 15.519 4.613 ( -2.631 -11.653 -1.597) 12.053 4.854 ( 7.504 -13.119 0.876) 15.139 5.516 ( -2.130 -2.631 7.564) 8.287 5.831 ( 0.121 -4.363 -3.341) 5.496 6.457 ( 2.707 1.605 8.941) 9.479 6.717 ( -4.996 12.193 -7.707) 15.265 8.414 ( -4.956 -6.538 1.859) 8.412 8.770 ( 2.228 -9.880 -2.304) 10.387 9.104 ( 3.024 -12.813 -3.145) 13.535 10.489 ( -1.534 -4.884 2.592) 5.738 11.345 ( -4.228 5.793 9.309) 11.752 11.824 ( 1.577 -3.559 -7.052) 8.055 12.251 ( 0.303 -12.021 1.937) 12.179 12.478 ( 2.703 -18.248 -0.269) 18.449 13.467 ( -4.033 3.493 -0.537) 5.363 13.824 ( 3.538 12.599 0.044) 13.086 14.647 ( -6.202 -4.136 -1.031) 7.525 14.893 ( 7.914 -8.971 -3.554) 12.479 15.822 ( 2.596 9.538 -0.703) 9.910 16.144 ( -2.036 1.876 3.193) 4.226 18.227 ( 0.621 -1.899 0.127) 2.003 19.119 ( -2.090 1.070 -0.092) 2.350 ======================= Grid point 646 (307/481) ======================= q-point: (-0.19 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -4.035 0.955 3.020) 5.130 3.050 ( -3.481 -5.606 1.507) 6.768 3.376 ( -3.614 -1.164 1.968) 4.276 3.877 ( 5.011 -1.902 -7.689) 9.373 4.064 ( -6.364 -9.157 -1.813) 11.297 4.249 ( -0.179 -6.699 -0.068) 6.702 4.559 ( -0.681 -8.910 0.693) 8.962 4.719 ( 4.871 -15.202 -0.312) 15.966 4.755 ( 0.597 -4.756 3.250) 5.791 5.122 ( 6.441 -11.060 -1.665) 12.907 5.539 ( -1.335 1.115 3.030) 3.494 5.929 ( -0.607 -6.575 -1.565) 6.786 6.454 ( 1.034 7.695 1.825) 7.975 6.479 ( -3.381 2.965 -0.766) 4.562 8.451 ( -7.680 -1.972 1.068) 8.001 8.930 ( 9.756 -3.682 -1.229) 10.500 9.389 ( -2.746 -17.006 -0.525) 17.234 10.484 ( -1.362 4.902 0.621) 5.126 11.277 ( -4.301 1.731 8.796) 9.943 11.866 ( 2.479 -1.971 -7.227) 7.890 12.528 ( -0.190 -16.054 1.392) 16.116 12.780 ( 1.055 -12.540 -0.604) 12.599 13.414 ( -2.785 0.534 0.063) 2.836 13.626 ( 3.494 10.513 0.012) 11.079 14.635 ( -6.870 -0.195 -0.811) 6.920 15.056 ( 7.673 -4.248 -1.474) 8.893 15.728 ( 2.768 2.284 -1.025) 3.733 16.121 ( -1.450 0.806 2.820) 3.272 18.235 ( 0.682 0.964 -0.074) 1.183 19.058 ( -3.068 3.303 -0.430) 4.529 ======================= Grid point 647 (308/481) ======================= q-point: (-0.12 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -1.656 0.789 2.527) 3.123 3.129 ( -0.884 -3.558 1.461) 3.946 3.375 ( -3.925 -0.352 2.719) 4.788 3.877 ( 4.700 1.228 -8.225) 9.552 4.161 ( -5.887 -5.639 -2.866) 8.641 4.355 ( 0.779 -3.297 1.202) 3.595 4.683 ( -3.224 -6.033 -1.253) 6.954 4.824 ( 3.239 0.204 7.379) 8.061 4.982 ( 3.670 -8.987 1.001) 9.759 5.323 ( 2.436 -8.531 -3.940) 9.707 5.498 ( 1.704 2.750 -0.631) 3.296 6.034 ( -1.139 -4.908 -0.044) 5.039 6.299 ( -1.989 5.213 -1.207) 5.709 6.457 ( -0.079 2.178 2.311) 3.177 8.426 ( -6.618 0.222 0.485) 6.639 9.010 ( 9.229 0.233 -0.427) 9.241 9.685 ( -3.576 -16.071 -0.503) 16.472 10.313 ( -0.445 12.066 -0.019) 12.075 11.279 ( -4.724 -1.075 8.339) 9.644 11.875 ( 2.787 -0.010 -7.018) 7.551 12.825 ( 0.436 -14.173 0.378) 14.184 12.972 ( -0.493 -8.633 -0.325) 8.653 13.371 ( -0.458 3.752 1.261) 3.985 13.476 ( 0.898 7.059 -0.502) 7.134 14.595 ( -3.483 1.034 -0.668) 3.694 15.145 ( 4.650 -2.543 -0.758) 5.353 15.736 ( 1.712 -1.189 -0.356) 2.115 16.110 ( -0.878 0.538 1.782) 2.058 18.214 ( 0.993 1.452 -0.074) 1.761 18.973 ( -2.736 3.445 -0.499) 4.427 ======================= Grid point 648 (309/481) ======================= q-point: (-0.06 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -0.365 1.120 2.317) 2.599 3.180 ( 0.180 -1.733 0.530) 1.821 3.364 ( -2.774 0.669 4.037) 4.944 3.848 ( 5.869 2.126 -7.848) 10.027 4.186 ( -3.952 -1.008 -3.385) 5.300 4.363 ( 1.186 3.630 1.030) 3.956 4.747 ( -3.464 -3.441 -1.877) 5.231 4.814 ( 2.721 5.446 6.798) 9.126 5.103 ( 0.656 -2.364 3.712) 4.449 5.425 ( -0.851 -2.209 -3.909) 4.570 5.496 ( 3.827 -1.798 -3.034) 5.204 6.087 ( -1.507 -1.356 0.616) 2.119 6.231 ( 0.797 1.594 0.283) 1.804 6.410 ( -1.065 2.489 0.756) 2.811 8.375 ( -3.320 2.004 0.211) 3.883 9.050 ( 5.621 -0.551 -0.433) 5.665 9.840 ( -3.492 3.946 -1.969) 5.625 10.137 ( 1.798 0.389 1.183) 2.187 11.300 ( -5.287 -1.154 8.147) 9.781 11.860 ( 3.679 0.832 -7.031) 7.979 12.997 ( -0.006 -1.117 0.081) 1.120 13.073 ( 0.004 -0.120 -0.499) 0.513 13.327 ( -0.854 -0.976 2.056) 2.431 13.384 ( -0.890 -0.078 -0.746) 1.164 14.540 ( 2.601 4.497 -0.660) 5.237 15.218 ( -0.894 -4.319 -0.719) 4.469 15.767 ( 0.116 -1.192 0.162) 1.209 16.106 ( -0.427 -0.051 1.323) 1.391 18.202 ( 1.320 0.308 -0.007) 1.356 18.907 ( -0.911 2.062 -0.589) 2.330 ======================= Grid point 657 (310/481) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 0.296 0.000 -2.993) 3.007 2.488 ( -7.395 -0.000 -2.548) 7.822 2.587 ( -4.608 -0.000 2.081) 5.057 2.689 ( 6.402 0.000 1.556) 6.588 2.837 ( 8.074 0.000 12.396) 14.793 3.031 ( -0.221 -0.000 1.384) 1.401 3.267 ( -7.328 -0.000 -1.533) 7.487 3.562 ( 3.234 0.000 0.540) 3.278 4.074 ( -4.300 -0.000 -11.210) 12.006 4.539 ( -5.022 -0.000 -15.486) 16.280 5.267 ( 0.998 0.000 7.494) 7.560 5.681 ( 10.560 0.000 11.415) 15.551 6.474 ( 0.039 0.000 0.170) 0.175 6.692 ( 0.437 0.000 8.702) 8.713 7.998 ( 2.167 0.000 -0.842) 2.325 8.503 ( -3.281 -0.000 -22.952) 23.186 8.766 ( 0.093 0.000 -0.462) 0.471 9.345 ( -3.524 -0.000 -9.259) 9.907 11.024 ( -1.018 -0.000 2.262) 2.480 11.756 ( -8.752 -0.000 12.542) 15.294 12.038 ( 17.256 0.000 -4.952) 17.953 12.649 ( -7.059 -0.000 5.082) 8.698 12.936 ( -0.240 -0.000 0.699) 0.739 13.099 ( 0.171 0.000 -0.448) 0.480 14.602 ( 2.889 0.000 -13.639) 13.942 15.705 ( 0.648 0.000 -3.655) 3.712 16.436 ( -0.008 -0.000 -0.056) 0.056 16.892 ( -2.558 -0.000 5.056) 5.666 17.953 ( 0.027 0.000 0.016) 0.032 18.039 ( 3.360 0.000 6.923) 7.695 ======================= Grid point 658 (311/481) ======================= q-point: (-0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -3.523 -14.994 -2.714) 15.640 2.465 ( -14.837 -1.838 1.821) 15.061 2.734 ( -2.870 -20.240 1.740) 20.516 2.829 ( 3.038 -11.009 1.166) 11.480 2.959 ( 12.796 -1.789 7.745) 15.064 3.155 ( 3.417 -9.759 4.698) 11.357 3.260 ( -5.928 -4.240 -0.987) 7.355 3.579 ( 0.601 -1.203 -3.055) 3.338 4.006 ( -4.081 0.573 -7.664) 8.702 4.435 ( -6.346 1.623 -14.429) 15.847 5.299 ( 1.813 -0.165 5.638) 5.925 5.770 ( 9.875 1.085 10.654) 14.567 6.606 ( -1.120 -11.121 1.523) 11.281 6.691 ( 1.914 1.164 7.138) 7.481 7.955 ( 2.669 5.312 -4.263) 7.315 8.405 ( -4.659 -0.079 -18.294) 18.879 8.854 ( 0.030 -7.296 -2.795) 7.813 9.347 ( -2.663 -6.873 -6.009) 9.510 11.057 ( 0.788 -2.842 2.294) 3.736 11.716 ( -7.946 1.844 8.076) 11.479 12.069 ( 16.410 4.968 -3.163) 17.435 12.549 ( -6.947 7.564 7.718) 12.847 13.128 ( -0.336 -18.158 0.005) 18.161 13.219 ( 0.436 -11.568 0.032) 11.576 14.551 ( 3.343 2.191 -14.005) 14.564 15.405 ( 0.333 24.629 -2.660) 24.775 16.431 ( -1.322 1.622 0.524) 2.157 17.139 ( -3.650 -19.482 3.524) 20.132 17.517 ( 3.232 25.153 2.545) 25.488 18.452 ( 1.435 -20.318 3.559) 20.677 ======================= Grid point 659 (312/481) ======================= q-point: (-0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -18.806 -6.143 4.058) 20.196 2.498 ( -4.571 -22.376 -1.278) 22.874 3.060 ( -6.681 -8.482 -2.868) 11.172 3.081 ( 13.258 -6.048 5.423) 15.549 3.227 ( -0.935 -26.193 3.957) 26.507 3.381 ( 1.497 -11.385 0.727) 11.506 3.403 ( 4.161 -12.625 4.602) 14.067 3.632 ( -1.875 -7.529 -3.173) 8.383 3.987 ( -0.539 -3.054 -5.605) 6.406 4.336 ( -4.678 -0.118 -12.969) 13.788 5.335 ( 0.863 -0.937 5.966) 6.101 5.818 ( 6.333 1.975 6.306) 9.153 6.608 ( -1.419 4.514 8.589) 9.806 6.950 ( 1.308 -16.825 -0.376) 16.880 7.829 ( 2.876 5.347 -8.288) 10.274 8.354 ( -5.661 -2.814 -9.904) 11.750 8.928 ( 0.644 -2.002 -7.164) 7.466 9.584 ( -1.621 -19.506 0.773) 19.588 11.160 ( 1.104 -6.887 1.832) 7.211 11.689 ( -5.127 -1.842 3.284) 6.361 12.043 ( 12.896 6.317 0.716) 14.378 12.358 ( -5.610 10.618 6.373) 13.595 13.459 ( -2.031 -12.342 0.817) 12.535 13.541 ( 0.503 -23.649 1.457) 23.699 14.493 ( 5.557 0.544 -14.662) 15.689 14.928 ( -0.154 23.626 -1.844) 23.698 16.368 ( -1.630 4.151 1.417) 4.679 16.941 ( -3.820 25.856 2.178) 26.227 17.628 ( 3.829 -19.129 1.937) 19.605 18.794 ( 0.757 -14.286 2.318) 14.493 ======================= Grid point 660 (313/481) ======================= q-point: (-0.31 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -17.592 -10.453 6.091) 21.351 2.823 ( -11.504 -12.269 -2.436) 16.994 3.159 ( 0.947 -11.876 -0.340) 11.918 3.243 ( 1.637 -4.546 1.552) 5.075 3.600 ( 3.463 -12.388 1.081) 12.908 3.648 ( 5.137 -13.531 1.641) 14.566 3.759 ( -0.342 -15.784 4.367) 16.380 3.879 ( -1.380 -22.358 0.815) 22.415 4.082 ( 4.886 -7.375 -9.535) 13.007 4.347 ( -2.150 -8.854 -7.314) 11.684 5.389 ( -0.750 -2.566 7.423) 7.890 5.811 ( 2.229 2.289 0.451) 3.226 6.555 ( 0.414 3.713 9.052) 9.793 7.099 ( -3.904 2.110 -5.370) 6.966 7.893 ( 5.648 -13.944 -3.072) 15.354 8.375 ( -6.827 -5.826 -4.440) 10.013 8.931 ( 3.049 -0.897 -7.519) 8.163 9.975 ( -2.185 -20.788 3.032) 21.121 11.324 ( -1.063 -8.824 2.463) 9.223 11.747 ( -2.891 -4.641 -0.855) 5.534 11.994 ( 5.240 4.130 7.225) 9.834 12.187 ( 2.392 5.949 -0.313) 6.419 13.581 ( -6.078 -2.061 1.391) 6.567 13.968 ( 1.233 -18.236 1.941) 18.380 14.540 ( 9.091 -4.102 -11.820) 15.466 14.552 ( -0.899 12.060 -2.534) 12.356 16.277 ( -1.791 4.925 2.296) 5.722 16.463 ( -1.294 23.211 1.599) 23.302 17.960 ( 2.041 -13.286 0.993) 13.479 19.007 ( -0.541 -7.904 0.785) 7.961 ======================= Grid point 661 (314/481) ======================= q-point: (-0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -13.877 -11.176 7.992) 19.528 2.832 ( -13.285 -2.608 -3.946) 14.102 3.314 ( 0.568 -2.189 1.277) 2.597 3.503 ( 4.534 -18.144 0.290) 18.704 3.744 ( -4.247 -6.795 -0.062) 8.014 3.945 ( -0.089 -12.274 -2.673) 12.562 4.071 ( 5.126 -15.682 1.743) 16.591 4.176 ( 4.657 -9.887 -5.021) 12.028 4.322 ( 1.988 -17.451 -1.284) 17.611 4.604 ( 2.190 -17.359 -0.909) 17.520 5.467 ( -2.405 -3.556 8.565) 9.581 5.783 ( 0.541 0.188 -3.726) 3.770 6.532 ( 0.829 2.334 7.255) 7.666 6.895 ( -4.604 11.744 -5.800) 13.884 8.237 ( 2.981 -13.701 2.478) 14.239 8.484 ( -6.387 -13.558 -3.394) 15.367 8.976 ( 5.665 -4.195 -6.100) 9.322 10.305 ( -3.140 -14.200 2.742) 14.799 11.430 ( -4.255 -0.252 7.157) 8.330 11.746 ( -1.612 -0.954 -2.841) 3.403 12.102 ( 1.899 -7.273 1.274) 7.624 12.212 ( 7.105 -8.658 -0.130) 11.201 13.512 ( -6.895 3.919 0.329) 7.938 14.071 ( 3.955 9.386 0.086) 10.185 14.484 ( -4.745 -7.828 -0.216) 9.157 14.732 ( 9.819 -10.865 -7.979) 16.677 16.081 ( 1.149 16.488 -0.157) 16.529 16.200 ( -1.638 4.149 4.201) 6.128 18.154 ( 1.010 -6.602 0.376) 6.689 19.094 ( -2.322 -2.429 -0.483) 3.395 ======================= Grid point 662 (315/481) ======================= q-point: (-0.19 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -8.932 -2.102 5.375) 10.634 2.871 ( -8.901 -10.158 0.206) 13.507 3.344 ( -1.212 -0.956 0.663) 1.680 3.783 ( 1.236 -9.088 -4.429) 10.185 3.861 ( -2.536 -8.296 -1.307) 8.773 4.093 ( -1.328 -8.437 -2.305) 8.847 4.374 ( 1.397 -10.597 -1.157) 10.751 4.433 ( 5.411 -17.025 -0.491) 17.871 4.618 ( 2.809 -12.213 1.741) 12.652 4.929 ( 4.934 -14.238 0.094) 15.069 5.530 ( -3.535 -1.843 6.370) 7.515 5.813 ( 1.062 -4.478 -3.500) 5.782 6.506 ( -2.639 2.323 -0.407) 3.539 6.640 ( -1.126 11.064 1.219) 11.188 8.366 ( -5.718 -3.264 2.385) 7.003 8.788 ( 3.612 -16.582 -2.252) 17.119 9.117 ( 2.931 -9.519 -3.270) 10.483 10.473 ( -3.538 -5.018 1.359) 6.288 11.356 ( -4.815 5.517 9.491) 11.987 11.798 ( 2.271 -4.197 -7.187) 8.627 12.264 ( 0.268 -11.370 1.070) 11.424 12.518 ( 4.135 -16.145 0.087) 16.666 13.411 ( -5.151 2.163 -0.070) 5.587 13.869 ( 4.186 12.610 -0.175) 13.288 14.561 ( -7.031 -3.128 -1.042) 7.766 14.971 ( 9.245 -9.561 -3.403) 13.728 15.851 ( 3.319 9.283 -0.972) 9.906 16.149 ( -1.591 2.016 4.502) 5.184 18.234 ( 0.456 -1.739 0.069) 1.799 19.081 ( -3.716 1.287 -1.101) 4.084 ======================= Grid point 663 (316/481) ======================= q-point: (-0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -4.321 -0.937 3.241) 5.482 3.019 ( -4.312 -8.175 2.781) 9.652 3.347 ( -2.635 -0.578 0.848) 2.828 3.870 ( 2.204 -2.637 -7.915) 8.629 3.979 ( -4.625 -7.534 -3.421) 9.479 4.255 ( 0.253 -7.928 2.240) 8.243 4.533 ( -2.534 -7.733 -1.025) 8.202 4.771 ( 4.721 -15.305 -1.254) 16.065 4.817 ( 3.620 -5.792 5.360) 8.682 5.179 ( 4.993 -9.301 -1.265) 10.632 5.533 ( -2.448 0.873 1.756) 3.137 5.922 ( 0.962 -6.368 -0.967) 6.512 6.370 ( -6.145 5.615 -5.176) 9.802 6.534 ( 2.517 4.417 5.729) 7.659 8.375 ( -6.579 -1.492 1.025) 6.823 9.035 ( 9.651 -4.978 -1.270) 10.934 9.344 ( -3.807 -16.188 -1.357) 16.685 10.463 ( -2.716 4.185 0.109) 4.990 11.286 ( -4.300 2.039 8.908) 10.100 11.848 ( 2.832 -2.037 -7.387) 8.169 12.534 ( -0.030 -16.098 0.851) 16.121 12.792 ( 1.477 -11.014 -0.141) 11.114 13.384 ( -2.754 -0.943 0.375) 2.935 13.668 ( 3.826 11.243 -0.147) 11.878 14.544 ( -7.929 -1.165 -0.683) 8.043 15.141 ( 8.595 -3.606 -1.745) 9.483 15.758 ( 3.399 2.783 -0.989) 4.503 16.127 ( -1.392 1.111 3.633) 4.046 18.241 ( 0.249 0.811 -0.008) 0.848 19.012 ( -3.913 2.874 -1.115) 4.982 ======================= Grid point 664 (317/481) ======================= q-point: (-0.06 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -1.714 -0.174 2.863) 3.342 3.132 ( -0.757 -4.448 1.969) 4.923 3.348 ( -3.213 -0.889 1.969) 3.872 3.882 ( 5.258 0.465 -7.511) 9.180 4.072 ( -5.591 -6.518 -3.644) 9.329 4.374 ( 0.727 -3.228 1.812) 3.772 4.636 ( -3.391 -5.481 -0.975) 6.518 4.913 ( 3.131 0.078 7.289) 7.934 5.028 ( 3.118 -9.075 0.370) 9.603 5.311 ( -0.472 -4.253 -3.091) 5.278 5.513 ( 2.332 0.135 -1.862) 2.988 6.029 ( 0.328 -4.370 0.351) 4.396 6.256 ( -3.861 2.064 -1.289) 4.564 6.480 ( 1.363 4.243 2.039) 4.900 8.364 ( -4.521 -0.684 0.295) 4.582 9.095 ( 5.498 1.485 -0.607) 5.728 9.643 ( -2.059 -16.462 -1.417) 16.651 10.304 ( -1.148 10.659 0.180) 10.722 11.280 ( -4.712 -0.557 8.415) 9.660 11.862 ( 3.083 -0.380 -7.137) 7.784 12.833 ( 0.788 -14.234 0.075) 14.256 12.965 ( -0.548 -7.901 0.079) 7.920 13.370 ( -1.072 2.311 1.144) 2.792 13.492 ( 2.435 9.248 -0.355) 9.570 14.537 ( -5.611 -2.597 -0.610) 6.213 15.202 ( 5.965 0.501 -1.003) 6.069 15.756 ( 2.080 -0.375 -0.243) 2.128 16.112 ( -1.007 0.645 2.147) 2.457 18.221 ( 0.193 1.101 0.013) 1.118 18.937 ( -2.549 2.391 -0.845) 3.596 ======================= Grid point 674 (318/481) ======================= q-point: (-0.44 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -9.661 -0.000 -3.496) 10.274 2.423 ( -21.790 -0.000 3.879) 22.132 2.443 ( 0.814 0.000 1.345) 1.572 2.725 ( -0.517 -0.000 -1.417) 1.508 3.052 ( 2.379 0.000 1.370) 2.745 3.122 ( 19.124 0.000 12.545) 22.871 3.200 ( -1.441 -0.000 0.985) 1.745 3.550 ( -2.381 -0.000 -7.255) 7.636 3.960 ( -7.637 -0.000 -1.914) 7.874 4.362 ( -6.049 -0.000 -14.910) 16.090 5.334 ( 4.370 0.000 3.928) 5.876 5.873 ( 8.444 0.000 9.282) 12.548 6.491 ( 2.592 0.000 0.136) 2.596 6.747 ( -0.363 -0.000 8.615) 8.623 8.012 ( 3.453 0.000 -6.489) 7.351 8.318 ( -4.844 -0.000 -16.607) 17.299 8.765 ( 0.114 0.000 -0.423) 0.438 9.243 ( -3.448 -0.000 -8.406) 9.085 11.054 ( 2.767 0.000 2.910) 4.015 11.713 ( -8.966 -0.000 6.048) 10.815 12.214 ( 17.635 0.000 -3.464) 17.972 12.620 ( -5.790 -0.000 8.558) 10.333 12.938 ( -0.173 -0.000 0.671) 0.693 13.097 ( -0.143 -0.000 -0.438) 0.461 14.546 ( 3.202 0.000 -13.874) 14.239 15.688 ( 0.410 0.000 -3.583) 3.607 16.436 ( 0.098 0.000 -0.045) 0.108 16.892 ( -3.160 -0.000 4.784) 5.733 17.953 ( -0.045 -0.000 0.005) 0.045 18.109 ( 1.432 0.000 6.460) 6.617 ======================= Grid point 675 (319/481) ======================= q-point: (-0.38 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -11.288 -17.228 -2.705) 20.774 2.276 ( -21.744 -0.688 4.597) 22.235 2.710 ( -0.622 -20.719 0.293) 20.731 2.817 ( -3.948 -11.904 -0.477) 12.550 3.119 ( 5.925 -3.518 2.493) 7.328 3.213 ( -1.426 -4.861 2.676) 5.730 3.346 ( 17.609 -4.542 11.243) 21.380 3.513 ( -5.053 -2.653 -9.124) 10.761 3.921 ( -7.347 -0.976 1.693) 7.602 4.273 ( -2.859 1.171 -15.328) 15.636 5.366 ( 4.155 0.676 4.073) 5.857 5.913 ( 4.495 2.304 4.560) 6.805 6.615 ( 0.631 -8.217 1.996) 8.480 6.763 ( 2.612 -1.129 7.088) 7.637 7.933 ( 2.567 6.284 -13.558) 15.163 8.258 ( -4.799 -1.166 -6.766) 8.377 8.836 ( 0.199 -5.609 -2.994) 6.361 9.280 ( -2.868 -9.745 -4.353) 11.051 11.102 ( 3.697 -2.167 2.728) 5.080 11.663 ( -6.865 0.999 2.737) 7.457 12.239 ( 15.443 5.734 -2.015) 16.596 12.531 ( -6.120 8.209 9.132) 13.719 13.126 ( -0.438 -17.629 0.515) 17.642 13.226 ( 0.636 -12.393 0.603) 12.424 14.501 ( 4.341 1.650 -14.275) 15.012 15.387 ( -0.455 24.525 -2.609) 24.667 16.426 ( -0.520 1.941 1.031) 2.259 17.101 ( -6.335 -13.573 2.592) 15.201 17.581 ( 4.720 18.875 2.572) 19.625 18.484 ( 0.366 -19.940 3.063) 20.177 ======================= Grid point 676 (320/481) ======================= q-point: (-0.31 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -22.655 -8.067 4.885) 24.540 2.399 ( -11.669 -22.690 -1.106) 25.539 2.927 ( -8.008 -9.959 -3.470) 13.242 3.163 ( -1.893 -12.148 -0.648) 12.312 3.304 ( 4.673 -16.972 9.064) 19.801 3.415 ( 3.966 -16.216 0.115) 16.694 3.518 ( 1.602 -7.358 0.104) 7.531 3.635 ( 11.075 -8.626 3.890) 14.566 3.942 ( -5.599 -5.546 1.141) 7.963 4.201 ( -1.008 -0.915 -15.367) 15.427 5.391 ( 2.221 0.048 5.658) 6.079 5.875 ( 0.108 3.404 -1.311) 3.649 6.646 ( -1.126 2.934 6.917) 7.597 6.977 ( 2.894 -11.864 1.512) 12.305 7.790 ( 2.620 2.166 -13.077) 13.512 8.257 ( -4.501 -2.569 -0.642) 5.222 8.893 ( 1.098 -2.127 -6.146) 6.596 9.560 ( -3.139 -20.986 0.505) 21.225 11.198 ( 2.577 -5.201 2.525) 6.330 11.650 ( -2.928 -2.729 -0.200) 4.008 12.187 ( 8.700 7.873 3.742) 12.315 12.344 ( -2.291 9.632 3.454) 10.486 13.422 ( -4.862 -11.816 0.280) 12.780 13.575 ( 2.408 -22.484 3.708) 22.914 14.473 ( 8.130 -1.262 -15.056) 17.157 14.911 ( -0.906 23.210 -1.612) 23.284 16.366 ( -0.942 4.324 2.313) 4.993 16.896 ( -6.118 22.549 1.946) 23.445 17.693 ( 5.407 -16.015 1.372) 16.959 18.808 ( -0.241 -13.591 0.985) 13.629 ======================= Grid point 677 (321/481) ======================= q-point: (-0.25 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -19.976 -13.794 5.836) 24.967 2.627 ( -18.339 -9.867 -1.515) 20.880 3.151 ( 1.127 -17.998 -0.811) 18.051 3.287 ( 0.650 -4.745 2.645) 5.471 3.584 ( -4.616 -7.957 -3.775) 9.943 3.683 ( 0.133 -14.919 1.080) 14.959 3.878 ( 12.212 -13.398 6.605) 19.294 3.909 ( 4.026 -18.225 2.581) 18.842 4.088 ( 3.629 -9.960 -4.151) 11.384 4.256 ( -3.465 -13.836 -8.681) 16.697 5.434 ( -0.161 -1.642 7.660) 7.836 5.797 ( -1.633 2.582 -5.399) 6.203 6.601 ( -0.841 3.127 3.953) 5.110 7.038 ( -2.455 5.814 -0.204) 6.314 7.938 ( 6.534 -17.767 -5.270) 19.651 8.290 ( -5.816 -3.847 1.552) 7.144 8.922 ( 3.311 -2.574 -6.305) 7.572 9.953 ( -4.298 -21.167 1.597) 21.658 11.333 ( -0.843 -7.074 3.257) 7.833 11.711 ( -1.935 -3.489 -1.325) 4.204 12.080 ( 0.513 5.147 8.293) 9.774 12.235 ( 7.955 3.715 -3.791) 9.563 13.504 ( -8.504 -1.204 1.216) 8.675 14.004 ( 2.035 -18.102 3.145) 18.485 14.532 ( -0.561 14.728 -1.232) 14.790 14.576 ( 11.170 -7.698 -12.729) 18.602 16.278 ( -1.357 5.306 3.110) 6.298 16.456 ( -1.971 20.990 2.090) 21.185 17.991 ( 2.552 -11.931 0.448) 12.209 18.993 ( -1.788 -6.948 -1.070) 7.254 ======================= Grid point 678 (322/481) ======================= q-point: (-0.19 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -15.240 -15.780 6.978) 23.021 2.648 ( -14.620 -5.271 -0.397) 15.546 3.321 ( 0.441 -1.954 -1.028) 2.252 3.545 ( 0.384 -15.318 -0.465) 15.330 3.679 ( -3.728 -9.181 -0.514) 9.922 3.913 ( -0.632 -9.631 -3.711) 10.341 4.178 ( 1.758 -10.736 -4.214) 11.667 4.186 ( 9.450 -12.902 2.204) 16.143 4.369 ( 5.118 -16.223 1.052) 17.043 4.606 ( -0.110 -21.837 -0.274) 21.839 5.492 ( -3.181 -2.188 8.228) 9.089 5.753 ( 0.418 -1.098 -6.256) 6.365 6.535 ( -3.203 3.351 -2.957) 5.498 6.852 ( -1.488 11.026 4.531) 12.014 8.285 ( 0.224 -5.522 4.275) 6.987 8.407 ( -1.547 -20.343 -4.027) 20.796 9.003 ( 5.360 -5.405 -5.076) 9.150 10.269 ( -5.156 -14.358 1.146) 15.299 11.425 ( -5.092 -0.518 7.642) 9.198 11.713 ( -0.465 -1.774 -3.066) 3.573 12.131 ( 2.524 -4.799 -0.344) 5.433 12.298 ( 7.527 -8.326 -0.114) 11.225 13.427 ( -8.119 2.958 0.599) 8.661 14.120 ( 4.230 9.569 -0.024) 10.463 14.428 ( -4.712 -5.848 0.055) 7.510 14.803 ( 11.042 -11.892 -7.446) 17.855 16.093 ( 1.323 14.398 -0.788) 14.480 16.218 ( -1.221 4.908 6.287) 8.069 18.167 ( 0.870 -5.945 0.106) 6.009 19.050 ( -3.570 -1.826 -2.259) 4.602 ======================= Grid point 679 (323/481) ======================= q-point: (-0.12 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -8.675 -4.304 4.283) 10.589 2.776 ( -9.448 -14.614 3.594) 17.770 3.334 ( -0.445 -0.233 -0.724) 0.881 3.700 ( -7.904 -8.898 -4.471) 12.714 3.864 ( 4.592 -5.943 -5.707) 9.433 4.090 ( 0.961 -10.667 2.189) 10.931 4.355 ( -1.792 -9.521 -2.494) 10.004 4.499 ( 5.279 -15.223 -0.863) 16.135 4.681 ( 4.834 -12.550 2.655) 13.708 4.978 ( 3.343 -15.837 1.113) 16.224 5.518 ( -4.854 -0.859 4.599) 6.742 5.813 ( 2.720 -5.511 -3.045) 6.858 6.408 ( -6.381 5.007 -7.579) 11.101 6.690 ( 1.320 8.228 8.109) 11.628 8.314 ( -5.807 -1.443 2.471) 6.474 8.822 ( 4.655 -20.693 -2.312) 21.336 9.130 ( 3.022 -6.159 -3.201) 7.570 10.428 ( -5.085 -5.552 0.246) 7.533 11.360 ( -5.293 4.754 9.514) 11.880 11.783 ( 3.356 -4.340 -7.161) 9.021 12.272 ( 0.336 -10.912 0.141) 10.918 12.571 ( 4.594 -13.969 0.236) 14.707 13.349 ( -5.634 0.416 0.321) 5.659 13.917 ( 4.327 12.598 -0.278) 13.323 14.473 ( -7.080 -1.820 -0.726) 7.346 15.059 ( 9.752 -9.853 -3.519) 14.303 15.885 ( 3.735 8.812 -1.179) 9.643 16.166 ( -1.539 2.500 5.938) 6.624 18.236 ( -0.130 -1.559 0.037) 1.565 19.021 ( -4.375 1.171 -2.397) 5.125 ======================= Grid point 680 (324/481) ======================= q-point: (-0.06 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -4.053 -2.777 3.378) 5.962 2.987 ( -4.927 -10.701 3.900) 12.410 3.330 ( -0.738 0.003 -0.021) 0.738 3.812 ( -4.283 -8.571 -5.022) 10.818 3.929 ( 1.989 -2.701 -7.224) 7.965 4.283 ( 1.179 -7.357 2.978) 8.024 4.496 ( -2.782 -7.473 -0.595) 7.996 4.801 ( 2.102 -14.969 -2.583) 15.335 4.896 ( 3.910 -6.250 5.000) 8.908 5.226 ( 3.721 -7.490 0.680) 8.391 5.508 ( -3.078 -0.142 0.534) 3.127 5.939 ( 2.876 -6.062 -0.593) 6.735 6.263 ( -6.481 3.315 -4.567) 8.593 6.594 ( 1.742 5.842 4.608) 7.642 8.314 ( -4.920 -1.522 0.890) 5.226 9.131 ( 7.870 -3.303 -1.348) 8.641 9.288 ( -3.286 -17.177 -2.243) 17.632 10.425 ( -3.701 2.928 -0.329) 4.731 11.296 ( -4.296 2.181 8.959) 10.172 11.835 ( 3.526 -1.850 -7.394) 8.398 12.539 ( 0.260 -16.352 0.309) 16.357 12.811 ( 1.556 -9.302 0.171) 9.433 13.356 ( -2.577 -2.636 0.685) 3.750 13.712 ( 4.116 11.786 -0.286) 12.488 14.444 ( -8.478 -1.449 -0.463) 8.613 15.230 ( 8.847 -3.167 -2.072) 9.623 15.793 ( 3.612 3.238 -0.900) 4.934 16.136 ( -1.655 1.674 4.382) 4.975 18.239 ( -0.740 0.697 0.061) 1.018 18.957 ( -3.630 2.016 -1.848) 4.545 ======================= Grid point 691 (325/481) ======================= q-point: (-0.38 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -16.978 -0.000 -2.602) 17.176 2.166 ( -26.681 -0.000 4.343) 27.033 2.507 ( 6.158 0.000 3.979) 7.332 2.672 ( -5.068 -0.000 -3.414) 6.110 3.094 ( 3.095 0.000 0.622) 3.157 3.184 ( -0.356 -0.000 4.450) 4.465 3.388 ( -17.272 -0.000 -7.559) 18.853 3.471 ( 22.374 0.000 11.248) 25.043 3.883 ( -5.850 -0.000 3.676) 6.910 4.237 ( 2.122 0.000 -15.416) 15.561 5.417 ( 5.375 0.000 3.537) 6.434 5.963 ( 0.835 0.000 -0.026) 0.835 6.534 ( 4.639 0.000 0.078) 4.640 6.807 ( 0.852 0.000 8.908) 8.949 7.952 ( 0.970 0.000 -21.168) 21.190 8.216 ( -2.622 -0.000 1.265) 2.911 8.763 ( 0.138 0.000 -0.353) 0.379 9.160 ( -2.925 -0.000 -5.455) 6.190 11.120 ( 5.036 0.000 2.959) 5.841 11.642 ( -6.646 -0.000 1.041) 6.727 12.390 ( 15.393 0.000 -2.413) 15.581 12.625 ( -4.346 -0.000 10.284) 11.164 12.941 ( -0.121 -0.000 0.615) 0.626 13.090 ( -0.410 -0.000 -0.412) 0.581 14.494 ( 3.957 0.000 -13.863) 14.416 15.665 ( -0.429 -0.000 -3.514) 3.540 16.438 ( 0.195 0.000 -0.026) 0.197 16.881 ( -4.172 -0.000 4.279) 5.977 17.952 ( -0.113 -0.000 -0.012) 0.114 18.164 ( 1.242 0.000 5.733) 5.866 ======================= Grid point 692 (326/481) ======================= q-point: (-0.31 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -16.336 -19.896 -0.922) 25.760 2.023 ( -26.615 -2.022 4.571) 27.080 2.698 ( -3.135 -8.585 -2.576) 9.495 2.782 ( -0.257 -19.016 2.794) 19.222 3.169 ( 0.335 -6.473 1.732) 6.710 3.243 ( 2.188 -4.793 4.626) 7.011 3.319 ( -17.913 -7.492 -4.799) 20.001 3.658 ( 20.177 -2.703 10.481) 22.897 3.869 ( -3.080 -0.002 2.719) 4.109 4.182 ( 4.359 2.220 -15.532) 16.284 5.444 ( 4.162 1.329 4.690) 6.410 5.916 ( -3.202 2.841 -5.755) 7.172 6.644 ( 2.019 -5.519 1.325) 6.024 6.850 ( 4.158 -3.001 6.871) 8.574 7.824 ( -1.363 4.785 -19.531) 20.155 8.222 ( -0.930 -0.294 4.763) 4.862 8.821 ( 0.493 -4.349 -2.417) 5.000 9.224 ( -3.292 -11.152 -1.892) 11.781 11.172 ( 4.886 -1.373 2.884) 5.838 11.607 ( -3.132 -0.164 -0.679) 3.209 12.387 ( 10.371 6.563 0.110) 12.274 12.525 ( -3.995 9.456 6.675) 12.245 13.121 ( -1.285 -15.509 0.664) 15.576 13.248 ( 2.111 -15.079 1.731) 15.324 14.465 ( 5.822 0.611 -14.215) 15.373 15.359 ( -1.730 24.401 -2.378) 24.578 16.431 ( -0.228 1.862 1.761) 2.573 17.031 ( -8.094 -7.995 1.681) 11.501 17.658 ( 5.686 12.785 2.297) 14.179 18.503 ( 0.384 -19.075 1.621) 19.148 ======================= Grid point 693 (327/481) ======================= q-point: (-0.25 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -24.441 -9.944 5.144) 26.883 2.222 ( -17.572 -21.546 0.492) 27.807 2.844 ( -5.413 -12.887 0.752) 13.998 3.133 ( -1.624 -13.892 -0.306) 13.990 3.361 ( -2.822 -9.480 -2.354) 10.167 3.434 ( 0.387 -13.443 1.005) 13.486 3.489 ( -4.524 -22.212 4.407) 23.092 3.871 ( 5.140 -7.193 3.822) 9.632 3.883 ( 7.119 -2.262 6.914) 10.178 4.131 ( 6.398 -0.027 -15.187) 16.480 5.458 ( 1.924 0.869 6.990) 7.302 5.807 ( -4.865 2.868 -9.558) 11.102 6.660 ( -1.496 2.627 0.823) 3.133 7.042 ( 4.078 -6.920 5.693) 9.844 7.719 ( 0.420 -3.623 -13.001) 13.503 8.244 ( -1.010 -0.699 5.952) 6.077 8.873 ( 1.447 -2.293 -4.380) 5.151 9.518 ( -4.625 -21.248 0.472) 21.751 11.246 ( 2.397 -3.359 2.871) 5.026 11.629 ( 0.771 -3.224 -1.558) 3.663 12.268 ( -3.730 10.483 10.569) 15.346 12.366 ( 7.635 6.656 -5.676) 11.611 13.355 ( -6.720 -10.073 0.186) 12.110 13.645 ( 4.461 -21.538 5.213) 22.604 14.481 ( 10.328 -3.587 -15.065) 18.614 14.885 ( -1.939 22.415 -1.169) 22.529 16.375 ( -0.877 4.441 3.511) 5.729 16.829 ( -7.463 18.759 1.982) 20.286 17.769 ( 6.371 -12.791 0.566) 14.301 18.801 ( -0.497 -12.406 -1.737) 12.537 ======================= Grid point 694 (328/481) ======================= q-point: (-0.19 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -19.505 -16.943 5.130) 26.341 2.409 ( -19.834 -10.914 3.843) 22.962 3.165 ( 1.332 -18.521 -0.435) 18.574 3.302 ( 0.045 -7.004 0.594) 7.029 3.480 ( -6.883 -8.634 -3.862) 11.698 3.689 ( 0.283 -12.974 -0.425) 12.984 3.939 ( 0.045 -18.967 -0.172) 18.968 4.018 ( -5.370 -12.882 1.589) 14.046 4.123 ( 10.106 -10.741 2.365) 14.936 4.228 ( 10.104 -12.671 -4.624) 16.852 5.482 ( -1.352 -0.246 8.646) 8.755 5.717 ( -2.306 0.325 -10.074) 10.340 6.576 ( -2.943 4.130 -4.346) 6.679 7.047 ( -0.944 7.732 7.790) 11.016 7.964 ( 4.586 -21.545 -6.856) 23.070 8.271 ( -1.958 -0.693 6.418) 6.746 8.925 ( 3.526 -3.941 -4.726) 7.092 9.900 ( -5.892 -21.115 0.551) 21.929 11.346 ( -0.976 -5.354 3.826) 6.653 11.686 ( -1.387 -1.702 -0.527) 2.258 12.128 ( 0.931 3.673 4.803) 6.118 12.303 ( 7.569 2.878 -4.094) 9.073 13.406 ( -9.360 -0.875 0.850) 9.439 14.056 ( 2.745 -16.428 3.958) 17.119 14.516 ( -1.562 15.133 -0.407) 15.219 14.633 ( 13.340 -9.481 -12.634) 20.675 16.284 ( -1.488 6.127 3.425) 7.176 16.449 ( -2.235 17.596 3.600) 18.100 18.024 ( 2.805 -10.248 -0.120) 10.625 18.951 ( -2.502 -5.884 -4.056) 7.572 ======================= Grid point 695 (329/481) ======================= q-point: (-0.12 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -13.221 -19.151 4.399) 23.684 2.502 ( -14.275 -8.656 6.609) 17.956 3.311 ( -0.014 -1.930 -3.103) 3.654 3.468 ( -7.923 -9.513 -4.440) 13.153 3.705 ( 5.340 -13.829 1.090) 14.864 3.887 ( -0.159 -10.732 -2.283) 10.973 4.152 ( -0.391 -9.467 -5.437) 10.924 4.271 ( 0.694 -13.173 0.998) 13.229 4.437 ( 5.590 -16.531 1.130) 17.488 4.637 ( 5.063 -21.478 3.101) 22.284 5.494 ( -5.095 -0.214 6.255) 8.070 5.724 ( 2.276 -4.066 -6.085) 7.664 6.445 ( -4.563 5.215 -7.934) 10.534 6.894 ( -0.953 9.850 9.684) 13.847 8.273 ( -5.645 -1.602 3.833) 7.009 8.419 ( 6.337 -22.347 -3.047) 23.427 9.033 ( 5.088 -6.019 -3.940) 8.811 10.205 ( -6.374 -14.537 -0.001) 15.873 11.415 ( -5.739 -0.123 8.211) 10.018 11.696 ( 1.221 -3.026 -3.313) 4.650 12.156 ( 3.261 -2.668 -2.267) 4.785 12.377 ( 6.036 -8.415 -0.060) 10.357 13.336 ( -8.254 1.812 0.560) 8.469 14.167 ( 3.889 9.739 -0.077) 10.487 14.377 ( -4.310 -3.694 0.583) 5.706 14.886 ( 11.617 -12.435 -7.011) 18.405 16.102 ( 1.361 12.090 -1.049) 12.212 16.253 ( -1.244 5.750 8.202) 10.094 18.175 ( 0.442 -5.131 -0.093) 5.151 18.983 ( -4.010 -1.575 -4.593) 6.298 ======================= Grid point 696 (330/481) ======================= q-point: (-0.06 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -6.773 -7.081 3.975) 10.574 2.702 ( -8.997 -16.918 6.497) 20.234 3.324 ( 0.263 -0.782 -1.814) 1.993 3.574 ( -7.910 -9.546 -4.455) 13.173 3.869 ( 4.618 -4.056 -8.829) 10.758 4.139 ( 2.983 -11.157 4.770) 12.495 4.309 ( -2.677 -10.255 -2.589) 10.910 4.519 ( -0.443 -13.939 -2.341) 14.141 4.757 ( 5.183 -12.712 2.639) 13.980 5.034 ( 4.153 -16.169 2.944) 16.951 5.481 ( -5.496 -0.301 2.721) 6.140 5.834 ( 3.773 -6.616 -2.250) 7.942 6.288 ( -5.372 5.246 -6.788) 10.122 6.749 ( -0.386 8.145 7.316) 10.955 8.269 ( -4.621 -0.692 2.365) 5.237 8.859 ( 4.214 -21.986 -2.877) 22.570 9.147 ( 3.383 -3.581 -2.800) 5.667 10.363 ( -5.778 -6.295 -0.526) 8.561 11.360 ( -5.541 3.733 9.412) 11.542 11.782 ( 4.634 -4.030 -6.917) 9.249 12.274 ( 0.437 -10.666 -0.708) 10.699 12.623 ( 4.081 -12.297 0.108) 12.957 13.287 ( -5.598 -1.508 0.539) 5.822 13.965 ( 4.178 12.438 -0.271) 13.123 14.389 ( -6.795 -0.192 -0.324) 6.806 15.149 ( 9.910 -9.901 -3.652) 14.476 15.920 ( 3.653 8.210 -1.177) 9.063 16.190 ( -1.946 3.312 7.105) 8.077 18.230 ( -1.038 -1.260 0.046) 1.633 18.951 ( -3.936 0.545 -3.804) 5.501 ======================= Grid point 708 (331/481) ======================= q-point: (-0.31 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -20.816 -0.000 0.014) 20.816 1.873 ( -28.897 -0.000 5.268) 29.373 2.576 ( -6.467 -0.000 -3.804) 7.503 2.621 ( 7.823 0.000 4.449) 8.999 3.059 ( -33.221 -0.000 2.184) 33.293 3.123 ( 1.735 0.000 -0.653) 1.854 3.239 ( 3.104 0.000 4.019) 5.078 3.781 ( 16.338 0.000 9.156) 18.728 3.892 ( 6.626 0.000 1.595) 6.816 4.193 ( 6.621 0.000 -14.272) 15.733 5.500 ( 3.805 0.000 5.005) 6.287 5.891 ( -6.202 -0.000 -11.073) 12.692 6.596 ( 5.858 0.000 0.019) 5.858 6.875 ( 1.603 0.000 5.314) 5.551 7.789 ( -4.248 -0.000 -18.523) 19.004 8.249 ( 2.364 0.000 6.539) 6.953 8.763 ( 0.160 0.000 -0.264) 0.309 9.104 ( -2.943 -0.000 -1.283) 3.210 11.203 ( 5.586 0.000 3.019) 6.350 11.590 ( -1.205 -0.000 -1.301) 1.773 12.515 ( 5.796 0.000 1.212) 5.921 12.660 ( 1.482 0.000 5.684) 5.874 12.943 ( -0.092 -0.000 0.537) 0.545 13.082 ( -0.589 -0.000 -0.373) 0.697 14.457 ( 5.139 0.000 -13.127) 14.097 15.629 ( -2.010 -0.000 -3.132) 3.721 16.440 ( 0.263 0.000 -0.009) 0.263 16.851 ( -5.478 -0.000 3.593) 6.551 17.950 ( -0.162 -0.000 -0.028) 0.164 18.217 ( 2.572 0.000 3.350) 4.224 ======================= Grid point 709 (332/481) ======================= q-point: (-0.25 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -18.921 -22.834 2.038) 29.725 1.737 ( -27.869 -2.809 5.801) 28.604 2.613 ( -8.122 -7.679 -0.943) 11.217 2.824 ( -0.685 -14.341 3.398) 14.754 3.016 ( -24.285 -15.947 4.230) 29.359 3.195 ( -0.846 -6.512 -2.237) 6.937 3.313 ( 4.030 -4.735 4.289) 7.554 3.852 ( 4.936 1.101 -0.680) 5.103 3.978 ( 16.610 -0.335 9.067) 18.927 4.152 ( 7.190 2.725 -14.210) 16.157 5.519 ( 1.657 1.491 6.926) 7.276 5.781 ( -6.886 2.234 -14.367) 16.088 6.670 ( 1.805 -1.573 -0.834) 2.535 6.937 ( 4.865 -6.377 2.680) 8.457 7.674 ( -5.669 2.774 -11.429) 13.056 8.279 ( 3.341 0.937 7.304) 8.086 8.816 ( 0.636 -3.736 -1.170) 3.966 9.176 ( -4.291 -10.942 0.541) 11.766 11.245 ( 4.203 -0.295 2.875) 5.100 11.598 ( 3.162 -1.003 -1.241) 3.542 12.459 ( -3.501 7.890 8.857) 12.368 12.533 ( 4.492 9.821 -5.083) 11.936 13.102 ( -2.726 -12.038 0.491) 12.352 13.302 ( 4.944 -19.411 2.168) 20.148 14.448 ( 7.057 -0.650 -13.287) 15.059 15.314 ( -3.616 24.101 -1.818) 24.439 16.443 ( -0.366 1.532 2.766) 3.183 16.939 ( -9.062 -4.070 1.036) 9.988 17.740 ( 6.152 7.962 1.383) 10.156 18.513 ( 1.279 -17.511 -2.056) 17.677 ======================= Grid point 710 (333/481) ======================= q-point: (-0.19 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -23.053 -12.430 6.314) 26.941 2.021 ( -19.940 -20.176 5.645) 28.923 2.797 ( -5.636 -17.902 4.125) 19.216 3.105 ( -6.457 -17.894 0.121) 19.024 3.243 ( -7.731 -7.947 -5.779) 12.503 3.398 ( -6.681 -20.762 1.126) 21.840 3.508 ( 1.188 -13.373 3.656) 13.915 3.855 ( 1.100 -2.276 -1.821) 3.115 4.100 ( 9.093 -1.595 -0.489) 9.245 4.169 ( 15.555 -3.223 -2.121) 16.026 5.516 ( -2.299 1.350 7.810) 8.253 5.671 ( -2.678 0.850 -12.802) 13.107 6.622 ( -2.221 3.920 -5.089) 6.797 7.138 ( 4.051 -3.736 8.127) 9.819 7.638 ( -2.036 -9.280 -8.120) 12.498 8.303 ( 2.651 1.175 8.377) 8.865 8.867 ( 1.342 -2.477 -2.375) 3.685 9.461 ( -5.780 -20.800 0.555) 21.595 11.290 ( 1.889 -1.909 2.899) 3.952 11.647 ( 3.056 -1.826 -0.411) 3.584 12.272 ( -4.374 9.291 7.329) 12.616 12.413 ( 5.976 5.700 -6.335) 10.409 13.273 ( -7.312 -8.018 0.051) 10.851 13.745 ( 6.602 -20.401 5.190) 22.062 14.505 ( 10.105 -5.500 -14.346) 18.389 14.854 ( -2.200 20.695 -0.551) 20.819 16.390 ( -1.410 4.646 4.658) 6.729 16.756 ( -7.613 14.834 2.763) 16.901 17.846 ( 6.643 -9.965 -0.413) 11.983 18.769 ( -0.578 -10.858 -6.637) 12.739 ======================= Grid point 711 (334/481) ======================= q-point: (-0.12 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -15.853 -19.676 6.426) 26.072 2.226 ( -19.500 -13.249 9.702) 25.493 3.171 ( 0.356 -17.526 -0.917) 17.554 3.252 ( -5.233 -2.956 -7.546) 9.647 3.430 ( -1.340 -18.102 3.557) 18.497 3.678 ( -0.652 -11.621 -2.520) 11.909 3.855 ( -12.295 -24.263 1.082) 27.222 3.964 ( 0.806 -8.570 -5.398) 10.160 4.243 ( 8.650 -9.076 -0.395) 12.544 4.392 ( 14.189 -10.962 4.150) 18.404 5.490 ( -5.859 0.713 3.573) 6.900 5.653 ( 2.383 -2.178 -5.611) 6.473 6.497 ( -2.738 5.290 -7.644) 9.690 7.098 ( -2.009 8.728 11.004) 14.188 7.960 ( 2.469 -22.526 -5.757) 23.380 8.320 ( 1.844 0.854 7.457) 7.729 8.940 ( 3.518 -5.142 -3.115) 6.965 9.828 ( -6.586 -20.805 0.023) 21.823 11.362 ( -1.142 -3.731 4.738) 6.138 11.668 ( -1.645 -0.153 0.273) 1.675 12.175 ( 4.766 2.513 -0.180) 5.391 12.345 ( 3.291 1.575 -2.789) 4.592 13.303 ( -8.762 -0.795 0.158) 8.800 14.117 ( 3.111 -13.494 3.917) 14.391 14.487 ( -2.979 12.401 -0.703) 12.773 14.717 ( 14.591 -8.846 -11.020) 20.312 16.285 ( -1.977 7.308 2.677) 8.030 16.457 ( -2.134 13.582 6.575) 15.240 18.054 ( 2.698 -8.375 -0.559) 8.817 18.879 ( -2.931 -5.246 -8.204) 10.170 ======================= Grid point 712 (335/481) ======================= q-point: (-0.06 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -9.278 -21.073 5.639) 23.706 2.400 ( -13.134 -12.077 10.337) 20.620 3.260 ( -4.299 -4.177 -6.128) 8.573 3.370 ( -2.688 -7.258 -3.221) 8.384 3.759 ( 5.220 -8.924 -6.686) 12.312 3.898 ( 1.665 -17.022 4.752) 17.751 4.097 ( -2.631 -9.140 -5.802) 11.142 4.223 ( -7.241 -17.846 0.175) 19.260 4.515 ( 6.153 -15.233 0.830) 16.450 4.747 ( 8.062 -16.976 4.177) 19.251 5.457 ( -5.789 0.144 2.409) 6.272 5.729 ( 3.328 -5.412 -2.688) 6.898 6.350 ( -2.388 6.029 -7.150) 9.652 6.937 ( -3.106 9.765 9.480) 13.959 8.238 ( -3.871 -3.263 3.053) 5.912 8.477 ( 6.066 -18.384 -2.440) 19.512 9.068 ( 4.753 -6.180 -2.831) 8.294 10.126 ( -6.556 -14.667 -0.559) 16.076 11.401 ( -6.299 0.511 8.844) 10.870 11.699 ( 3.235 -4.470 -3.607) 6.592 12.174 ( 3.535 -0.616 -4.187) 5.514 12.434 ( 3.721 -9.188 0.257) 9.917 13.246 ( -7.477 0.723 0.077) 7.513 14.207 ( 3.123 9.713 -0.148) 10.203 14.335 ( -3.959 -1.760 1.125) 4.476 14.977 ( 11.899 -12.451 -6.622) 18.452 16.110 ( 1.095 10.031 -0.826) 10.124 16.295 ( -1.735 6.605 9.607) 11.787 18.176 ( -0.179 -4.134 -0.156) 4.141 18.899 ( -3.613 -2.099 -7.201) 8.326 ======================= Grid point 725 (336/481) ======================= q-point: (-0.25 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -23.031 -0.000 3.880) 23.356 1.578 ( -28.978 -0.000 7.987) 30.059 2.475 ( -5.636 -0.000 -4.650) 7.306 2.666 ( -41.521 -0.000 12.424) 43.339 2.745 ( 7.562 0.000 5.159) 9.155 3.124 ( -0.075 -0.000 -1.986) 1.987 3.308 ( 4.205 0.000 2.092) 4.696 3.902 ( 7.635 0.000 -3.851) 8.552 4.100 ( 15.510 0.000 8.691) 17.779 4.188 ( 8.785 0.000 -14.220) 16.715 5.554 ( -3.139 -0.000 4.706) 5.657 5.719 ( -3.725 -0.000 -14.000) 14.487 6.667 ( 6.127 0.000 -0.026) 6.127 6.885 ( -0.883 -0.000 -5.437) 5.508 7.638 ( -8.046 -0.000 -3.735) 8.871 8.344 ( 6.368 0.000 6.529) 9.120 8.764 ( 0.174 0.000 -0.171) 0.244 9.071 ( -3.731 -0.000 2.948) 4.755 11.284 ( 5.052 0.000 2.780) 5.767 11.616 ( 7.130 0.000 -0.095) 7.130 12.543 ( -4.455 -0.000 6.599) 7.962 12.713 ( 5.498 0.000 -4.737) 7.257 12.945 ( -0.090 -0.000 0.449) 0.458 13.072 ( -0.652 -0.000 -0.326) 0.729 14.438 ( 5.276 0.000 -11.123) 12.311 15.573 ( -4.587 -0.000 -2.367) 5.161 16.444 ( 0.286 0.000 0.001) 0.286 16.800 ( -6.902 -0.000 2.690) 7.407 17.948 ( -0.178 -0.000 -0.035) 0.182 18.263 ( 4.419 0.000 -2.716) 5.187 ======================= Grid point 726 (337/481) ======================= q-point: (-0.19 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -24.151 -12.334 7.102) 28.033 1.495 ( -21.170 -17.412 8.745) 28.772 2.497 ( -19.109 -8.549 9.620) 23.039 2.642 ( -22.402 -16.861 1.425) 28.074 2.973 ( 4.256 -15.978 4.731) 17.199 3.156 ( -2.578 -4.136 -4.181) 6.422 3.376 ( 3.582 -4.863 -0.204) 6.043 3.888 ( 4.231 3.588 -5.720) 7.968 4.137 ( 5.858 2.343 -7.939) 10.141 4.233 ( 16.197 -0.700 3.791) 16.649 5.510 ( -8.393 0.289 -4.858) 9.702 5.673 ( 3.295 2.016 -0.837) 3.952 6.663 ( -0.208 3.274 -4.835) 5.843 6.991 ( 5.172 -13.111 -3.593) 14.545 7.558 ( -9.014 2.556 2.804) 9.780 8.389 ( 6.929 1.732 7.646) 10.463 8.819 ( 0.434 -3.581 0.235) 3.615 9.130 ( -5.532 -9.508 2.545) 11.290 11.310 ( 4.450 0.879 2.519) 5.188 11.667 ( 8.139 0.419 1.347) 8.260 12.448 ( -8.189 9.358 10.164) 16.060 12.534 ( 3.701 8.057 -10.591) 13.813 13.069 ( -3.264 -8.899 0.384) 9.487 13.387 ( 7.992 -23.921 0.246) 25.221 14.442 ( 5.174 -1.653 -11.316) 12.552 15.250 ( -5.732 23.075 -0.903) 23.793 16.458 ( -0.945 1.171 3.808) 4.095 16.840 ( -8.901 -2.173 0.859) 9.202 17.815 ( 5.957 4.202 0.032) 7.289 18.495 ( 1.633 -15.267 -9.489) 18.049 ======================= Grid point 727 (338/481) ======================= q-point: (-0.12 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -18.102 -15.237 10.144) 25.744 1.845 ( -20.065 -19.281 12.001) 30.305 2.766 ( -8.222 -24.872 9.695) 27.932 2.931 ( -17.573 -24.502 -2.964) 30.298 3.160 ( -2.417 -2.776 -8.171) 8.962 3.355 ( -1.243 -18.553 2.657) 18.784 3.533 ( 1.844 -9.987 -1.955) 10.342 3.845 ( 0.059 -1.724 -4.515) 4.833 4.166 ( 8.137 -3.620 -3.767) 9.670 4.366 ( 13.697 -3.226 3.757) 14.565 5.447 ( -6.284 -0.627 -6.807) 9.285 5.666 ( 3.504 1.768 4.777) 6.182 6.556 ( -1.123 4.733 -7.359) 8.821 7.235 ( 2.739 -0.682 8.798) 9.239 7.567 ( -3.227 -14.443 -3.754) 15.268 8.408 ( 4.875 3.129 9.261) 10.923 8.870 ( 0.824 -2.832 -0.628) 3.016 9.395 ( -6.120 -20.178 0.738) 21.099 11.336 ( 2.788 -0.607 3.451) 4.478 11.676 ( 0.305 1.700 1.609) 2.361 12.285 ( 1.442 6.105 2.744) 6.847 12.411 ( 0.585 4.915 -5.508) 7.405 13.192 ( -6.361 -6.091 -0.378) 8.815 13.862 ( 8.493 -18.686 3.657) 20.849 14.499 ( 3.005 -5.197 -12.595) 13.953 14.843 ( 1.857 15.750 -0.701) 15.874 16.400 ( -2.582 5.169 4.725) 7.464 16.700 ( -6.152 10.851 5.308) 13.556 17.915 ( 6.182 -7.762 -1.306) 10.008 18.691 ( -1.640 -9.776 -13.743) 16.945 ======================= Grid point 728 (339/481) ======================= q-point: (-0.06 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -10.386 -21.498 9.947) 25.864 2.089 ( -17.802 -15.577 14.333) 27.658 3.091 ( -8.318 -7.444 -8.379) 13.958 3.197 ( 2.898 -11.760 -3.491) 12.605 3.426 ( -5.477 -28.781 2.724) 29.424 3.647 ( -1.535 -12.100 -0.256) 12.200 3.757 ( -4.120 -16.929 -0.291) 17.426 3.933 ( -0.019 -8.628 -5.608) 10.291 4.329 ( 6.611 -9.130 -0.451) 11.281 4.564 ( 10.570 -9.632 3.002) 14.612 5.418 ( -4.737 -1.205 -3.233) 5.860 5.683 ( 2.441 -0.743 2.858) 3.831 6.433 ( 0.782 5.710 -6.514) 8.697 7.133 ( -4.804 9.802 11.085) 15.557 7.954 ( 2.722 -22.355 -4.491) 22.964 8.397 ( 2.601 2.297 6.909) 7.731 8.965 ( 3.489 -6.242 -1.675) 7.345 9.753 ( -6.242 -20.378 -0.012) 21.312 11.381 ( -2.280 -1.518 6.662) 7.203 11.653 ( -0.672 -0.627 -0.527) 1.060 12.233 ( 7.953 4.192 -5.694) 10.641 12.345 ( -1.341 -1.428 0.641) 2.061 13.208 ( -7.117 -0.641 -0.899) 7.202 14.176 ( 2.586 -9.959 3.719) 10.941 14.437 ( -4.155 8.130 -1.641) 9.277 14.821 ( 14.893 -7.693 -9.451) 19.243 16.274 ( -2.296 7.663 1.735) 8.186 16.487 ( -2.213 10.886 9.950) 14.913 18.078 ( 2.216 -6.502 -0.702) 6.905 18.773 ( -3.233 -5.929 -12.897) 14.558 ======================= Grid point 742 (340/481) ======================= q-point: (-0.19 -0.19 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -23.441 -0.000 8.808) 25.041 1.322 ( -26.807 -0.000 13.240) 29.898 2.290 ( -43.177 -0.000 24.107) 49.451 2.390 ( -3.594 -0.000 -4.442) 5.714 2.858 ( 6.005 0.000 4.623) 7.579 3.098 ( -1.289 -0.000 -2.956) 3.225 3.340 ( 1.846 0.000 -5.459) 5.763 3.927 ( 2.441 0.000 -10.138) 10.428 4.170 ( 4.970 0.000 -10.384) 11.512 4.339 ( 16.759 0.000 3.748) 17.173 5.437 ( -6.234 -0.000 -9.984) 11.771 5.741 ( 5.553 0.000 9.352) 10.876 6.734 ( 5.490 0.000 -0.050) 5.490 6.777 ( -5.522 -0.000 -14.077) 15.121 7.562 ( -9.697 -0.000 11.106) 14.743 8.479 ( 9.713 0.000 5.798) 11.311 8.765 ( 0.181 0.000 -0.087) 0.201 9.054 ( -4.453 -0.000 6.303) 7.717 11.368 ( 7.409 0.000 1.932) 7.657 11.760 ( 15.207 0.000 4.091) 15.748 12.513 ( -8.039 -0.000 6.922) 10.608 12.704 ( 2.488 0.000 -12.183) 12.435 12.947 ( -0.116 -0.000 0.365) 0.383 13.063 ( -0.586 -0.000 -0.279) 0.649 14.413 ( -0.119 -0.000 -8.115) 8.116 15.488 ( -8.059 -0.000 -1.330) 8.168 16.447 ( 0.261 0.000 -0.001) 0.261 16.728 ( -7.754 -0.000 1.555) 7.908 17.946 ( -0.159 -0.000 -0.030) 0.162 18.261 ( 3.209 0.000 -13.205) 13.589 ======================= Grid point 743 (341/481) ======================= q-point: (-0.12 -0.19 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -19.821 -10.505 14.564) 26.746 1.337 ( -17.932 -24.592 12.208) 32.793 2.256 ( -37.532 -15.045 25.134) 47.610 2.505 ( -2.753 -14.332 -4.031) 15.141 3.047 ( -0.297 -12.195 0.555) 12.211 3.092 ( 1.263 -2.860 -4.091) 5.149 3.374 ( 0.182 -6.381 -8.140) 10.344 3.844 ( -3.757 3.165 -8.204) 9.563 4.165 ( 7.275 -0.127 -5.054) 8.859 4.436 ( 14.809 0.616 2.834) 15.090 5.382 ( -2.416 -0.109 -9.245) 9.556 5.771 ( 4.195 3.825 12.033) 13.305 6.611 ( -0.009 4.130 -7.412) 8.485 7.023 ( 5.996 -19.496 -5.336) 21.084 7.500 ( -10.408 4.493 13.157) 17.367 8.536 ( 9.514 2.409 7.317) 12.242 8.827 ( -0.059 -3.495 1.428) 3.776 9.083 ( -6.197 -7.368 4.045) 10.442 11.396 ( 7.969 2.246 2.406) 8.622 11.776 ( 5.321 7.232 4.394) 9.996 12.417 ( -8.430 7.200 9.251) 14.439 12.488 ( 3.712 6.094 -12.495) 14.389 13.036 ( -2.609 -6.433 0.254) 6.946 13.492 ( 12.414 -28.801 -3.458) 31.553 14.385 ( -5.400 -2.151 -8.715) 10.476 15.179 ( -5.428 19.844 0.164) 20.573 16.467 ( -2.227 1.324 4.013) 4.777 16.756 ( -6.442 -2.913 1.958) 7.336 17.875 ( 5.036 1.208 -1.366) 5.356 18.403 ( -2.075 -13.386 -19.224) 23.518 ======================= Grid point 744 (342/481) ======================= q-point: (-0.06 -0.19 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -10.817 -17.484 15.223) 25.582 1.723 ( -18.187 -18.284 18.328) 31.638 2.650 ( -23.418 -35.599 9.269) 43.607 2.810 ( 0.255 -19.172 0.631) 19.184 3.056 ( -3.075 -4.350 -11.545) 12.715 3.391 ( 2.805 -15.759 2.608) 16.218 3.522 ( 0.868 -10.459 -5.651) 11.920 3.792 ( -3.354 -2.984 -4.980) 6.705 4.239 ( 6.826 -4.317 -1.180) 8.162 4.523 ( 10.889 -2.076 0.420) 11.093 5.354 ( -1.567 -1.130 -6.784) 7.053 5.744 ( 0.725 3.690 8.827) 9.595 6.526 ( 4.473 4.645 -5.155) 8.256 7.311 ( -1.539 6.207 11.044) 12.762 7.519 ( -0.025 -21.819 -3.879) 22.161 8.530 ( 4.861 5.950 9.660) 12.343 8.878 ( 0.693 -3.745 0.594) 3.854 9.333 ( -5.389 -19.653 1.005) 20.403 11.402 ( 3.148 2.032 5.542) 6.690 11.663 ( -3.717 3.406 0.872) 5.116 12.330 ( -3.663 1.697 6.309) 7.490 12.377 ( 7.548 6.444 -10.121) 14.175 13.123 ( -4.588 -4.255 -1.072) 6.349 13.988 ( 9.386 -15.319 2.879) 18.195 14.396 ( -6.276 -5.927 -11.444) 14.335 14.890 ( 7.173 9.079 -2.138) 11.766 16.390 ( -3.586 5.633 3.252) 7.427 16.692 ( -3.814 7.758 9.891) 13.137 17.970 ( 5.173 -6.279 -1.806) 8.333 18.540 ( -4.541 -10.858 -20.924) 24.007 ======================= Grid point 759 (343/481) ======================= q-point: (-0.12 -0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -20.363 -0.000 14.175) 24.812 1.150 ( -21.554 -0.000 20.762) 29.927 2.016 ( -37.271 -0.000 35.957) 51.788 2.336 ( -0.996 -0.000 -3.689) 3.822 2.928 ( 1.176 0.000 1.657) 2.032 3.071 ( 0.643 0.000 -1.634) 1.756 3.240 ( -6.166 -0.000 -17.824) 18.860 3.813 ( -7.512 -0.000 -8.860) 11.616 4.192 ( 6.843 0.000 -3.584) 7.725 4.558 ( 18.713 0.000 -0.402) 18.718 5.358 ( 2.421 0.000 -9.069) 9.386 5.907 ( 5.611 0.000 15.510) 16.494 6.640 ( 0.024 0.000 -8.675) 8.675 6.790 ( 4.103 0.000 -0.058) 4.103 7.549 ( -8.454 -0.000 16.609) 18.637 8.635 ( 10.871 0.000 4.054) 11.602 8.767 ( 0.178 0.000 -0.026) 0.180 9.057 ( -2.917 -0.000 7.972) 8.489 11.486 ( 11.205 0.000 0.357) 11.211 11.992 ( 15.308 0.000 2.754) 15.554 12.484 ( 1.399 0.000 5.536) 5.710 12.625 ( -1.454 -0.000 -10.849) 10.946 12.948 ( -0.167 -0.000 0.298) 0.342 13.055 ( -0.399 -0.000 -0.239) 0.466 14.284 ( -17.046 -0.000 -3.650) 17.433 15.380 ( -8.697 -0.000 -0.020) 8.697 16.449 ( 0.193 0.000 -0.010) 0.193 16.650 ( -6.482 -0.000 0.670) 6.517 17.944 ( -0.110 -0.000 -0.018) 0.111 18.134 ( -6.145 -0.000 -20.764) 21.654 ======================= Grid point 760 (344/481) ======================= q-point: (-0.06 -0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -12.330 -10.810 21.822) 27.296 1.248 ( -12.349 -29.966 14.401) 35.466 2.039 ( -30.632 -14.050 31.211) 45.933 2.480 ( 0.720 -15.104 -0.301) 15.124 2.952 ( -4.800 -1.105 -9.270) 10.498 3.146 ( 4.077 -11.005 -0.819) 11.765 3.280 ( -3.324 -11.462 -10.359) 15.803 3.737 ( -5.957 0.628 -4.143) 7.283 4.229 ( 6.148 -0.914 -0.793) 6.266 4.614 ( 15.406 3.579 -2.819) 16.065 5.329 ( 1.540 0.911 -7.293) 7.509 5.875 ( -1.964 6.711 11.251) 13.246 6.625 ( 9.833 2.960 -2.640) 10.603 7.065 ( 6.269 -22.027 -3.946) 23.239 7.493 ( -6.332 6.934 15.397) 18.034 8.697 ( 10.254 2.344 5.707) 11.967 8.836 ( -0.458 -3.182 2.290) 3.947 9.046 ( -5.134 -4.321 5.149) 8.458 11.525 ( 11.336 3.334 1.670) 11.934 11.790 ( -8.035 15.658 1.996) 17.712 12.365 ( -10.541 6.060 9.721) 15.567 12.522 ( 14.834 4.472 -8.744) 17.791 13.012 ( -1.810 -4.649 0.004) 4.989 13.647 ( 22.205 -33.474 -8.461) 41.051 14.174 ( -23.356 -3.642 -3.719) 23.929 15.142 ( -1.278 14.632 0.491) 14.696 16.456 ( -3.259 2.188 2.650) 4.737 16.729 ( -2.115 -6.042 4.934) 8.082 17.911 ( 3.715 -1.550 -3.537) 5.358 18.185 ( -10.952 -12.994 -22.124) 27.897 ======================= Grid point 776 (345/481) ======================= q-point: (-0.06 -0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -11.652 -0.000 17.804) 21.278 1.113 ( -11.988 -0.000 27.442) 29.947 1.924 ( -24.009 -0.000 44.086) 50.200 2.317 ( 1.393 0.000 -2.804) 3.131 2.899 ( -4.146 -0.000 -2.653) 4.922 3.027 ( -5.364 -0.000 -19.123) 19.861 3.101 ( 3.372 0.000 1.323) 3.622 3.698 ( -5.593 -0.000 -3.190) 6.439 4.253 ( 4.432 0.000 0.410) 4.451 4.748 ( 18.201 0.000 -8.700) 20.174 5.330 ( 1.556 0.000 -8.107) 8.255 5.971 ( -7.532 -0.000 7.533) 10.653 6.746 ( 17.843 0.000 1.202) 17.883 6.827 ( 2.185 0.000 -0.058) 2.185 7.604 ( 1.827 0.000 14.310) 14.426 8.766 ( 7.340 0.000 2.526) 7.763 8.769 ( 0.170 0.000 0.006) 0.170 9.104 ( 3.510 0.000 5.703) 6.697 11.613 ( 10.422 0.000 -1.922) 10.598 11.960 ( -13.668 -0.000 -9.369) 16.571 12.543 ( -1.833 -0.000 -6.452) 6.707 12.800 ( 36.753 0.000 10.741) 38.291 12.947 ( -0.235 -0.000 0.260) 0.350 13.051 ( -0.119 -0.000 -0.215) 0.245 13.994 ( -27.585 -0.000 4.479) 27.946 15.308 ( -3.935 -0.000 0.777) 4.011 16.451 ( 0.100 0.000 -0.019) 0.102 16.598 ( -3.057 -0.000 0.521) 3.101 17.866 ( -18.277 -0.000 -13.632) 22.801 17.943 ( -0.044 -0.000 -0.008) 0.045 ======================= Grid point 777 (346/481) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.158 0.000 6.984) 6.986 1.757 ( 0.635 0.000 20.573) 20.583 2.275 ( 1.254 0.000 -1.790) 2.186 2.480 ( -5.244 -0.000 -14.782) 15.685 2.776 ( 1.106 0.000 20.128) 20.158 2.783 ( -1.987 -0.000 -1.119) 2.280 3.160 ( 0.851 0.000 0.408) 0.944 3.594 ( -2.606 -0.000 0.761) 2.715 4.296 ( -0.426 -0.000 -2.299) 2.338 4.457 ( 5.908 0.000 -13.622) 14.848 5.274 ( 0.528 0.000 0.066) 0.532 6.000 ( -1.971 -0.000 1.589) 2.532 6.838 ( -0.006 -0.000 -0.024) 0.025 6.913 ( -0.155 -0.000 1.462) 1.470 7.856 ( 4.633 0.000 1.891) 5.004 8.771 ( 0.070 0.000 0.002) 0.070 8.886 ( 2.151 0.000 1.145) 2.437 9.199 ( 2.437 0.000 -0.074) 2.438 11.489 ( -4.185 -0.000 -3.911) 5.728 11.771 ( -0.121 -0.000 0.237) 0.266 12.484 ( -0.648 -0.000 0.015) 0.648 12.950 ( -0.147 -0.000 0.124) 0.192 13.047 ( 0.104 0.000 -0.103) 0.146 13.167 ( -2.174 -0.000 1.720) 2.772 13.991 ( 10.298 0.000 -0.163) 10.299 15.304 ( -0.059 -0.000 0.348) 0.353 16.451 ( -0.000 -0.000 -0.010) 0.010 16.593 ( -0.018 -0.000 0.248) 0.248 17.580 ( -6.577 -0.000 0.173) 6.579 17.943 ( 0.010 0.000 -0.002) 0.011 ======================= Grid point 778 (347/481) ======================= q-point: ( 0.06 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 2.379 -31.410 4.971) 31.890 1.895 ( 8.315 -7.176 12.898) 16.941 2.237 ( -11.549 2.182 5.083) 12.805 2.482 ( 5.166 -6.095 -14.013) 16.131 2.889 ( -4.043 -11.357 2.680) 12.350 2.948 ( 7.924 -11.026 5.714) 14.731 3.303 ( -0.087 -13.284 1.861) 13.414 3.599 ( -2.055 -1.893 3.426) 4.421 4.273 ( -0.996 0.832 -3.438) 3.675 4.408 ( 3.272 2.665 -10.376) 11.201 5.272 ( -1.924 -0.226 -0.188) 1.946 5.956 ( 1.192 4.366 1.941) 4.924 6.768 ( -4.678 4.353 -0.195) 6.393 7.079 ( -6.751 -16.146 1.563) 17.570 7.806 ( 9.738 8.558 -1.628) 13.065 8.879 ( -0.364 -7.634 0.209) 7.645 8.918 ( 1.191 -3.043 -0.663) 3.334 9.144 ( 3.773 4.951 0.007) 6.225 11.445 ( -5.322 0.616 0.953) 5.442 11.730 ( 0.698 3.787 -0.483) 3.881 12.423 ( -5.888 5.265 3.972) 8.841 12.711 ( 1.189 16.531 -2.377) 16.743 12.972 ( 0.459 -1.513 0.026) 1.582 13.491 ( -17.118 -22.675 2.322) 28.506 14.184 ( 29.281 -6.946 -7.435) 30.999 15.149 ( 0.146 12.324 -0.001) 12.325 16.457 ( 1.839 2.508 0.195) 3.116 16.924 ( 1.117 -30.876 0.930) 30.910 17.442 ( -8.115 9.934 1.326) 12.895 17.970 ( 0.569 -2.757 -0.060) 2.816 ======================= Grid point 779 (348/481) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 1.726 -19.611 7.434) 21.043 2.176 ( -12.166 -4.243 6.396) 14.384 2.302 ( 12.702 -26.612 4.385) 29.812 2.604 ( 10.662 -6.280 -11.596) 16.958 3.139 ( -3.727 -15.294 -1.019) 15.775 3.247 ( 3.452 -13.724 0.314) 14.155 3.585 ( -1.695 -14.418 0.034) 14.518 3.743 ( 2.753 -14.877 7.374) 16.831 4.248 ( -0.947 -0.674 -3.049) 3.263 4.376 ( 1.303 -2.002 -6.174) 6.621 5.261 ( -4.183 -0.759 -0.189) 4.256 5.885 ( 2.964 4.779 1.309) 5.774 6.629 ( -9.348 5.617 -1.145) 10.966 7.349 ( -10.289 -11.563 5.364) 16.381 7.720 ( 14.496 2.144 -6.450) 16.010 8.828 ( 0.479 10.204 -0.476) 10.226 8.989 ( 2.124 -2.927 -1.775) 4.029 9.292 ( 1.057 -17.041 1.099) 17.109 11.428 ( -5.463 -1.063 5.490) 7.818 11.667 ( 0.926 1.884 -2.759) 3.467 12.233 ( -12.052 9.514 4.729) 16.067 12.520 ( 8.774 6.569 -5.148) 12.109 12.996 ( 1.871 -0.438 0.468) 1.978 13.823 ( -15.504 -21.149 5.807) 26.859 14.424 ( 22.936 -3.138 -9.084) 24.868 14.955 ( -0.485 6.090 -2.539) 6.616 16.386 ( 2.181 6.245 0.454) 6.631 17.147 ( -6.799 16.204 5.572) 18.435 17.556 ( -0.924 -31.902 -2.231) 31.993 18.055 ( 4.029 -5.350 -0.489) 6.716 ======================= Grid point 780 (349/481) ======================= q-point: ( 0.19 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -8.723 -9.184 2.913) 12.997 2.491 ( 6.940 -16.873 11.055) 21.332 2.776 ( 9.407 -10.883 -12.889) 19.314 2.871 ( 11.041 -22.325 1.401) 24.946 3.297 ( -1.421 -3.915 -0.794) 4.240 3.526 ( -1.482 -15.473 1.717) 15.639 3.845 ( -2.732 -14.966 -0.708) 15.230 4.164 ( 4.844 -22.863 -2.373) 23.491 4.287 ( -2.487 -5.518 1.673) 6.279 4.500 ( 2.362 -11.688 -0.500) 11.934 5.259 ( -5.141 -2.167 0.655) 5.618 5.828 ( 3.037 3.219 -0.000) 4.426 6.457 ( -10.707 5.550 -1.988) 12.223 7.302 ( 2.450 11.190 3.195) 11.892 7.960 ( 3.094 -19.440 -3.675) 20.024 8.619 ( 2.070 11.485 -0.733) 11.693 9.058 ( -0.462 -4.329 -2.627) 5.085 9.649 ( 1.119 -18.433 1.659) 18.541 11.447 ( -6.825 -2.045 7.382) 10.259 11.683 ( 3.288 -3.701 -3.905) 6.305 12.038 ( -6.545 5.312 0.749) 8.462 12.470 ( 3.633 1.802 -2.431) 4.728 13.029 ( 4.780 -1.109 1.236) 5.060 14.108 ( -8.730 -14.051 4.480) 17.138 14.442 ( 6.394 7.974 -2.059) 10.426 14.957 ( 3.807 -6.862 -8.262) 11.395 16.255 ( 0.108 8.665 1.097) 8.735 16.819 ( -5.936 15.551 3.290) 16.967 17.990 ( -4.890 -14.665 1.039) 15.494 18.254 ( 10.286 -12.674 -1.107) 16.360 ======================= Grid point 782 (350/481) ======================= q-point: ( 0.25 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -3.036 -10.861 2.856) 11.633 2.837 ( 9.908 -11.494 4.616) 15.862 3.045 ( 4.316 -17.019 -9.809) 20.112 3.218 ( 3.328 -8.278 -1.358) 9.025 3.367 ( 3.853 -6.252 2.281) 7.690 3.788 ( -0.610 -12.146 3.444) 12.640 4.097 ( -1.863 -13.845 -0.760) 13.991 4.394 ( -2.369 -9.586 -3.348) 10.426 4.624 ( 1.651 -21.692 -2.750) 21.928 4.788 ( 2.504 -14.916 4.875) 15.891 5.297 ( -4.082 -4.263 2.085) 6.259 5.811 ( 1.624 -0.458 -1.107) 2.018 6.296 ( -9.445 4.338 -2.424) 10.672 7.085 ( 7.119 14.986 1.777) 16.686 8.352 ( -0.417 -21.514 -0.597) 21.526 8.440 ( 2.811 8.421 -1.301) 8.972 9.118 ( -2.218 -3.595 -2.310) 4.815 9.973 ( 2.006 -14.040 2.147) 14.345 11.467 ( -7.413 -1.769 7.884) 10.966 11.773 ( 6.211 -2.328 -7.146) 9.750 12.000 ( -2.638 -5.213 1.201) 5.965 12.498 ( -1.996 -5.638 -0.481) 6.001 13.107 ( 6.573 -3.258 1.152) 7.426 14.229 ( -1.980 6.072 0.055) 6.387 14.290 ( -0.232 1.100 1.480) 1.858 15.125 ( 0.981 -10.712 -7.430) 13.073 16.081 ( -2.917 9.153 1.767) 9.767 16.541 ( -3.735 11.863 2.391) 12.664 18.140 ( -0.959 -5.102 0.708) 5.240 18.546 ( 7.427 -11.030 -0.132) 13.298 ======================= Grid point 783 (351/481) ======================= q-point: ( 0.31 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 0.740 -7.581 2.428) 7.995 3.081 ( 7.241 -8.719 -1.862) 11.486 3.253 ( -1.803 -2.772 1.110) 3.488 3.375 ( 5.535 -12.866 -5.209) 14.943 3.578 ( 3.251 -11.268 -0.284) 11.731 4.002 ( 0.875 -9.382 4.604) 10.488 4.345 ( 0.210 -13.070 1.630) 13.173 4.556 ( -1.383 -9.463 -4.550) 10.591 4.917 ( -3.536 -11.039 -1.099) 11.644 5.113 ( 3.071 -15.702 3.262) 16.329 5.370 ( -2.349 -4.059 1.952) 5.080 5.865 ( -0.618 -5.330 -0.957) 5.450 6.178 ( -6.134 2.323 -2.504) 7.021 6.852 ( 7.283 14.699 1.790) 16.502 8.332 ( 2.692 4.252 -0.531) 5.061 8.751 ( 0.592 -21.036 0.212) 21.045 9.147 ( -3.011 -1.807 -1.214) 3.716 10.202 ( 2.902 -7.930 2.261) 8.741 11.482 ( -6.658 -1.426 8.256) 10.702 11.758 ( 5.443 3.297 -8.936) 10.970 12.204 ( -0.861 -15.267 1.383) 15.353 12.652 ( -2.590 -11.109 0.289) 11.410 13.233 ( 5.255 -6.044 0.266) 8.013 13.993 ( -4.450 12.829 0.454) 13.586 14.321 ( 5.687 0.653 -0.282) 5.731 15.277 ( -3.139 -7.622 -5.022) 9.653 15.911 ( -4.446 6.635 1.587) 8.143 16.347 ( -1.827 8.101 1.989) 8.539 18.203 ( 1.332 -1.574 0.347) 2.091 18.736 ( 5.269 -5.659 0.181) 7.734 ======================= Grid point 784 (352/481) ======================= q-point: ( 0.38 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 1.739 -3.895 2.306) 4.849 3.192 ( 0.286 -1.616 -1.678) 2.347 3.323 ( 2.243 -4.786 0.031) 5.286 3.594 ( 6.754 -7.072 -0.328) 9.785 3.806 ( -1.114 -12.935 -4.662) 13.794 4.186 ( 2.353 -7.702 4.596) 9.272 4.593 ( 1.782 -11.390 4.214) 12.275 4.673 ( -1.439 -5.326 -5.417) 7.732 5.063 ( -4.207 -8.013 1.274) 9.139 5.350 ( 4.287 -4.969 1.165) 6.665 5.421 ( -5.536 -3.869 -0.736) 6.794 5.975 ( -1.804 -6.613 -0.157) 6.856 6.135 ( -0.949 -1.102 -1.934) 2.419 6.641 ( 4.455 12.024 2.249) 13.018 8.306 ( 2.371 0.243 -0.194) 2.392 9.097 ( 5.956 -4.573 0.337) 7.517 9.194 ( -6.763 -15.485 0.422) 16.902 10.309 ( 2.976 -0.719 1.750) 3.526 11.492 ( -6.546 -0.485 8.727) 10.920 11.701 ( 5.349 2.074 -9.114) 10.769 12.521 ( -0.985 -17.832 0.690) 17.872 12.840 ( -0.630 -9.288 -0.142) 9.310 13.370 ( 2.206 -5.092 -0.384) 5.563 13.727 ( -4.883 12.563 0.767) 13.500 14.354 ( 8.653 -0.886 -0.582) 8.717 15.321 ( -5.632 -1.046 -2.523) 6.259 15.808 ( -3.544 2.259 0.535) 4.237 16.223 ( -0.764 5.108 1.537) 5.388 18.222 ( 1.843 0.433 0.116) 1.897 18.833 ( 3.673 -2.216 0.163) 4.293 ======================= Grid point 785 (353/481) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 1.274 -1.794 2.193) 3.107 3.196 ( -0.619 -0.001 -0.316) 0.696 3.402 ( 0.828 -2.182 -0.257) 2.348 3.721 ( 5.128 -3.173 0.110) 6.031 3.988 ( -1.543 -8.200 -5.136) 9.798 4.340 ( 2.481 -5.400 3.380) 6.837 4.694 ( -1.089 -0.583 -3.990) 4.177 4.828 ( 0.468 -10.340 6.493) 12.218 5.174 ( -0.699 -4.072 0.730) 4.196 5.383 ( -0.841 1.206 0.662) 1.613 5.426 ( -2.413 -0.003 -4.583) 5.179 6.069 ( -1.389 -3.980 0.279) 4.225 6.191 ( 2.721 -3.895 -0.932) 4.842 6.477 ( 0.318 7.384 2.284) 7.735 8.334 ( 1.288 -1.559 0.074) 2.024 9.091 ( 1.137 2.005 0.153) 2.310 9.548 ( -0.995 -18.653 0.843) 18.699 10.271 ( 1.997 6.333 0.809) 6.689 11.481 ( -6.037 0.508 8.219) 10.210 11.690 ( 5.361 -0.264 -8.243) 9.836 12.832 ( -1.321 -14.936 0.284) 14.997 12.988 ( 0.806 -6.712 -0.660) 6.792 13.409 ( 0.878 1.722 -0.322) 1.960 13.485 ( -3.787 10.362 0.968) 11.075 14.460 ( 7.174 -4.743 -0.470) 8.613 15.256 ( -5.215 2.987 -0.845) 6.069 15.777 ( -1.815 -0.002 0.062) 1.816 16.154 ( -0.254 2.525 0.857) 2.679 18.217 ( 1.232 0.852 0.007) 1.498 18.874 ( 1.962 -0.673 0.021) 2.075 ======================= Grid point 786 (354/481) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -0.224 -0.349 1.590) 1.643 3.192 ( 0.084 0.275 0.022) 0.288 3.411 ( -1.561 1.061 1.430) 2.368 3.782 ( 4.148 -1.040 -2.049) 4.742 4.038 ( -1.896 0.665 -2.826) 3.468 4.422 ( 0.848 -1.093 1.054) 1.740 4.666 ( -1.693 1.416 -0.883) 2.377 5.027 ( 0.738 -7.414 7.225) 10.378 5.158 ( 1.277 6.313 -4.384) 7.791 5.323 ( -4.889 1.553 3.256) 6.076 5.429 ( 3.722 -1.271 -5.422) 6.699 6.101 ( -0.140 0.361 0.747) 0.841 6.246 ( 0.013 0.673 0.209) 0.705 6.415 ( 0.074 -1.625 0.092) 1.630 8.357 ( -0.267 -0.079 0.117) 0.301 9.075 ( 0.074 -0.331 -0.211) 0.399 9.779 ( 0.163 -1.451 -0.793) 1.662 10.176 ( 0.219 0.194 0.477) 0.560 11.467 ( -4.940 0.451 8.218) 9.599 11.700 ( 4.429 -0.241 -7.794) 8.968 12.998 ( -0.054 -0.158 0.043) 0.172 13.063 ( 0.078 0.672 -0.215) 0.710 13.348 ( -3.054 0.126 1.674) 3.485 13.379 ( 2.885 -0.444 -1.086) 3.115 14.540 ( 0.014 0.101 -0.306) 0.323 15.198 ( 0.155 0.054 -0.333) 0.371 15.773 ( 0.070 0.033 0.104) 0.130 16.130 ( -0.219 0.101 0.589) 0.637 18.211 ( 0.062 0.036 0.006) 0.072 18.888 ( 0.050 -0.277 -0.279) 0.396 ======================= Grid point 787 (355/481) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( -1.985 1.260 0.623) 2.432 3.178 ( -0.343 1.980 1.643) 2.596 3.364 ( -2.462 2.950 2.167) 4.411 3.793 ( 2.731 0.924 -5.317) 6.048 3.928 ( -2.012 8.891 0.033) 9.116 4.392 ( -1.175 3.823 -1.531) 4.282 4.622 ( -1.073 2.917 2.817) 4.195 4.960 ( -0.037 11.976 -6.284) 13.525 5.116 ( 1.238 1.495 5.383) 5.722 5.329 ( -0.825 -1.812 4.396) 4.826 5.450 ( 3.549 -0.165 -4.494) 5.728 6.063 ( 1.593 4.185 0.819) 4.552 6.185 ( -3.791 3.111 -0.291) 4.913 6.511 ( 0.656 -6.981 -0.906) 7.070 8.333 ( -1.743 1.728 0.194) 2.462 9.102 ( -0.781 -2.467 -0.843) 2.722 9.581 ( 1.290 17.689 -2.261) 17.879 10.285 ( -1.835 -7.612 -0.465) 7.844 11.468 ( -4.319 -0.547 9.114) 10.100 11.693 ( 4.060 0.739 -8.110) 9.100 12.839 ( 1.145 14.505 -0.355) 14.555 12.973 ( -0.623 6.816 0.783) 6.889 13.390 ( -1.344 -1.810 1.322) 2.614 13.509 ( 4.000 -10.093 -1.203) 10.923 14.454 ( -7.108 4.954 0.021) 8.665 15.250 ( 5.717 -2.416 -0.323) 6.215 15.778 ( 1.963 -0.084 -0.027) 1.965 16.151 ( -0.477 -2.297 1.075) 2.580 18.217 ( -1.123 -0.849 0.023) 1.408 18.884 ( -1.742 -0.027 -0.902) 1.962 ======================= Grid point 788 (356/481) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -2.798 3.716 -0.156) 4.654 3.092 ( -4.675 7.879 7.458) 11.813 3.313 ( 0.067 1.558 -0.652) 1.691 3.674 ( -5.409 11.467 -3.857) 13.252 3.768 ( 4.094 5.656 -3.259) 7.705 4.273 ( -2.018 6.537 -3.592) 7.727 4.555 ( -0.088 5.630 5.542) 7.901 4.689 ( -1.047 14.475 -4.808) 15.289 5.048 ( 3.784 7.996 2.629) 9.228 5.328 ( 0.777 5.198 2.643) 5.883 5.446 ( 0.355 0.485 -2.348) 2.424 5.972 ( 2.589 6.899 0.139) 7.370 6.125 ( -2.318 0.202 -0.893) 2.493 6.661 ( -2.281 -9.698 0.241) 9.965 8.294 ( -2.692 0.690 0.897) 2.920 9.121 ( -4.045 1.536 -1.915) 4.732 9.222 ( 6.034 18.542 -2.225) 19.625 10.348 ( -3.477 -0.568 -1.891) 3.998 11.502 ( -4.890 -2.467 10.090) 11.481 11.671 ( 5.369 1.343 -8.534) 10.171 12.535 ( 0.593 17.140 -0.682) 17.164 12.835 ( 0.999 8.493 0.297) 8.557 13.355 ( -2.190 4.782 1.034) 5.360 13.745 ( 4.698 -12.251 -0.930) 13.154 14.344 ( -8.546 1.007 0.322) 8.612 15.293 ( 6.927 2.800 0.139) 7.473 15.817 ( 3.443 -3.087 -0.426) 4.644 16.217 ( -0.617 -4.535 2.108) 5.039 18.224 ( -1.813 -0.611 -0.057) 1.914 18.857 ( -3.083 1.090 -2.105) 3.889 ======================= Grid point 789 (357/481) ======================= q-point: (-0.31 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( -1.900 8.520 0.014) 8.729 2.892 ( -9.418 11.851 13.037) 19.978 3.275 ( 1.105 5.092 -1.755) 5.498 3.396 ( -4.391 11.006 -3.197) 12.274 3.656 ( 1.494 6.332 -8.134) 10.416 4.109 ( -2.009 8.112 -5.384) 9.941 4.374 ( 1.723 17.231 -0.048) 17.317 4.449 ( -2.276 7.842 4.489) 9.318 4.882 ( 4.114 13.676 2.285) 14.463 5.140 ( 0.701 14.645 0.605) 14.675 5.420 ( -1.811 1.272 -2.427) 3.285 5.852 ( 1.844 6.667 0.295) 6.924 6.158 ( 2.661 -3.628 -0.679) 4.551 6.848 ( -5.547 -12.214 2.136) 13.583 8.296 ( -2.999 -2.158 2.663) 4.554 8.795 ( 0.914 20.879 -3.622) 21.211 9.142 ( 3.940 2.857 -0.704) 4.918 10.253 ( -4.229 7.273 -2.560) 8.794 11.554 ( -6.021 -2.310 9.247) 11.274 11.656 ( 6.621 1.192 -6.942) 9.667 12.238 ( 0.366 13.431 -1.852) 13.563 12.659 ( 2.683 11.165 -0.360) 11.488 13.235 ( -5.113 4.730 0.097) 6.965 14.003 ( 4.275 -12.415 -0.494) 13.139 14.315 ( -5.784 -1.498 0.219) 5.979 15.213 ( 6.349 9.873 1.153) 11.795 15.935 ( 3.601 -7.277 -0.907) 8.170 16.330 ( -0.356 -6.962 3.618) 7.854 18.211 ( -1.525 1.104 -0.317) 1.909 18.783 ( -4.030 3.868 -4.208) 6.993 ======================= Grid point 790 (358/481) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 0.203 14.988 3.872) 15.481 2.656 ( -13.025 11.505 17.048) 24.345 3.026 ( -4.158 14.501 -5.584) 16.086 3.275 ( 0.914 5.429 -3.984) 6.796 3.496 ( -1.292 7.231 -10.351) 12.692 3.898 ( -1.206 11.802 -6.572) 13.563 4.068 ( 1.355 15.981 2.079) 16.172 4.265 ( -2.112 14.018 8.458) 16.508 4.586 ( 2.267 18.234 0.664) 18.386 4.865 ( 1.086 14.415 -1.506) 14.534 5.356 ( 0.463 3.755 -3.740) 5.320 5.779 ( -0.465 1.381 2.035) 2.503 6.271 ( 7.077 -5.204 -0.159) 8.786 7.063 ( -7.150 -13.501 3.862) 15.758 8.296 ( -1.900 10.833 3.617) 11.578 8.462 ( 1.947 5.351 -2.407) 6.182 9.089 ( 3.981 5.041 0.365) 6.434 10.019 ( -3.936 14.129 -2.199) 14.831 11.562 ( -0.772 1.776 4.599) 4.990 11.647 ( 0.352 1.112 -0.931) 1.492 12.066 ( 2.356 3.681 -4.947) 6.601 12.485 ( 1.968 7.664 0.776) 7.951 13.138 ( -6.477 1.804 -1.717) 6.939 14.231 ( 2.046 -8.058 -0.207) 8.316 14.312 ( -1.244 -1.178 -0.481) 1.779 15.026 ( 5.389 13.319 1.825) 14.483 16.105 ( 1.616 -8.942 -0.800) 9.122 16.506 ( 0.544 -10.318 5.656) 11.779 18.159 ( 0.260 3.799 -0.922) 3.918 18.623 ( -5.257 8.750 -7.472) 12.650 ======================= Grid point 791 (359/481) ======================= q-point: (-0.19 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 1.079 16.313 11.027) 19.720 2.412 ( -12.789 13.711 20.675) 27.911 2.729 ( -5.127 10.604 -11.734) 16.626 3.028 ( -4.407 18.088 -9.679) 20.983 3.331 ( 0.930 8.946 -3.639) 9.703 3.610 ( -0.227 15.708 -5.069) 16.507 3.802 ( 1.733 14.995 3.389) 15.471 3.949 ( -3.818 18.368 11.015) 21.756 4.356 ( 3.209 7.350 -2.268) 8.335 4.601 ( 0.538 12.058 -6.307) 13.618 5.286 ( 3.418 3.155 -2.634) 5.345 5.803 ( -2.743 -3.489 2.838) 5.268 6.427 ( 10.145 -5.849 0.710) 11.732 7.290 ( -5.711 -13.069 4.648) 15.001 7.920 ( 0.699 23.140 -0.099) 23.150 8.569 ( 0.006 -9.260 4.063) 10.112 9.011 ( 2.919 5.485 1.691) 6.439 9.678 ( -3.175 18.938 -1.085) 19.233 11.538 ( 4.227 2.001 2.929) 5.518 11.604 ( -4.763 1.502 -0.433) 5.013 12.102 ( 6.100 -6.307 -5.724) 10.477 12.414 ( -1.896 1.114 2.976) 3.700 13.074 ( -5.322 0.676 -2.877) 6.087 14.210 ( 8.881 8.855 -5.059) 13.523 14.382 ( -9.454 -1.812 3.585) 10.272 14.857 ( 5.728 5.606 1.191) 8.103 16.267 ( -1.083 -8.059 -0.151) 8.133 16.758 ( 1.555 -12.944 8.429) 15.525 18.061 ( 4.443 7.941 -3.538) 9.763 18.336 ( -8.547 13.989 -10.472) 19.452 ======================= Grid point 792 (360/481) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -1.268 13.141 17.731) 22.107 2.080 ( -5.273 25.898 14.252) 30.027 2.469 ( -13.695 9.596 -0.885) 16.746 2.644 ( 0.367 9.857 -16.667) 19.367 3.074 ( 2.749 18.830 7.567) 20.479 3.304 ( -3.198 15.367 -5.339) 16.580 3.536 ( 1.675 15.954 4.826) 16.752 3.701 ( -4.452 7.305 3.587) 9.277 4.292 ( 2.796 1.590 -1.391) 3.504 4.432 ( 3.355 3.138 -11.321) 12.218 5.262 ( 4.048 1.338 -0.898) 4.357 5.879 ( -4.066 -5.451 2.319) 7.185 6.603 ( 10.620 -5.792 1.246) 12.161 7.446 ( 11.822 15.347 -4.439) 19.875 7.557 ( -13.820 -4.251 9.848) 17.494 8.778 ( 2.578 -9.530 4.557) 10.874 8.942 ( 0.489 3.432 2.629) 4.351 9.301 ( -2.569 17.916 0.135) 18.100 11.543 ( 1.499 1.296 -5.694) 6.029 11.592 ( -1.362 -4.282 5.059) 6.766 12.311 ( 8.955 -12.407 -2.201) 15.458 12.416 ( -4.865 -1.814 3.692) 6.371 13.027 ( -2.918 1.067 -2.256) 3.840 13.986 ( 16.461 20.631 -10.775) 28.508 14.247 ( -19.220 6.136 8.466) 21.880 14.932 ( 3.703 -8.248 -0.023) 9.041 16.387 ( -2.521 -5.850 0.339) 6.379 17.016 ( 2.695 -6.542 12.855) 14.673 17.786 ( 0.870 19.640 -18.877) 27.255 18.060 ( -5.753 5.762 -1.495) 8.278 ======================= Grid point 793 (361/481) ======================= q-point: (-0.06 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -4.287 32.721 7.704) 33.888 1.746 ( -1.847 6.371 20.569) 21.612 2.310 ( -7.023 2.729 5.076) 9.085 2.534 ( 4.062 0.094 -18.734) 19.170 2.814 ( -1.145 11.537 16.638) 20.278 2.964 ( -5.918 14.292 -2.985) 15.754 3.280 ( 1.281 12.528 2.942) 12.933 3.618 ( -3.123 1.228 0.230) 3.364 4.294 ( 1.205 -0.412 -1.369) 1.869 4.430 ( 6.397 -2.768 -13.738) 15.405 5.267 ( 2.696 0.348 -0.074) 2.720 5.962 ( -4.082 -4.862 1.558) 6.537 6.757 ( 6.298 -4.639 0.842) 7.867 7.093 ( 3.915 17.714 0.080) 18.142 7.739 ( -1.276 -9.119 5.229) 10.589 8.876 ( 1.975 6.099 0.678) 6.446 8.885 ( 2.170 3.755 2.292) 4.905 9.122 ( -1.436 -3.727 2.225) 4.572 11.515 ( -2.320 -0.620 -5.795) 6.273 11.711 ( 0.692 -5.681 1.518) 5.921 12.450 ( -2.737 -3.068 1.958) 4.554 12.652 ( 8.963 -18.521 2.481) 20.725 12.981 ( -1.345 1.925 -0.689) 2.448 13.579 ( 10.149 26.561 -6.833) 29.244 14.060 ( -12.385 5.538 5.283) 14.559 15.147 ( 0.033 -12.476 0.173) 12.477 16.455 ( -1.777 -2.416 0.375) 3.022 16.884 ( 2.252 24.934 4.355) 25.411 17.552 ( -5.614 -4.579 -9.314) 11.800 17.969 ( -0.586 2.701 -0.016) 2.764 ======================= Grid point 795 (362/481) ======================= q-point: ( 0.06 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 9.249 0.000 2.180) 9.502 1.944 ( 13.293 0.000 10.120) 16.707 2.261 ( -1.331 -0.000 -2.126) 2.508 2.306 ( -12.116 -0.000 -4.700) 12.996 2.783 ( 1.472 0.000 1.910) 2.411 2.951 ( 11.632 0.000 6.987) 13.570 3.156 ( -1.248 -0.000 -0.855) 1.513 3.586 ( -1.385 -0.000 4.438) 4.649 4.264 ( -2.703 -0.000 -1.239) 2.973 4.420 ( 2.232 0.000 -11.370) 11.587 5.252 ( -3.800 -0.000 -0.673) 3.859 6.027 ( 3.732 0.000 2.582) 4.538 6.816 ( -15.856 -0.000 0.193) 15.858 6.825 ( -2.215 -0.000 -0.002) 2.215 7.942 ( 9.566 0.000 -3.272) 10.110 8.771 ( 0.044 0.000 -0.081) 0.092 8.896 ( 0.650 0.000 -2.649) 2.727 9.240 ( 5.866 0.000 -2.488) 6.372 11.430 ( -4.849 -0.000 3.226) 5.824 11.771 ( -0.517 -0.000 0.252) 0.575 12.453 ( -7.414 -0.000 1.258) 7.520 12.949 ( -0.209 -0.000 0.210) 0.296 12.976 ( -21.462 -0.000 0.520) 21.469 13.049 ( 0.428 0.000 -0.153) 0.454 14.291 ( 36.999 0.000 -9.757) 38.264 15.328 ( 4.566 0.000 0.026) 4.566 16.451 ( -0.086 -0.000 -0.003) 0.086 16.608 ( 2.642 0.000 0.157) 2.647 17.514 ( -8.960 -0.000 7.438) 11.645 17.943 ( 0.062 0.000 -0.013) 0.063 ======================= Grid point 796 (363/481) ======================= q-point: ( 0.12 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 9.300 -29.110 1.245) 30.585 2.041 ( 6.649 -1.421 -13.873) 15.449 2.192 ( -1.359 -1.737 23.881) 23.983 2.444 ( 0.956 -12.387 -8.775) 15.210 2.892 ( 1.984 -8.440 2.818) 9.117 3.069 ( 8.088 -6.838 -0.290) 10.595 3.303 ( -0.549 -13.559 -0.692) 13.587 3.626 ( 1.399 -3.420 6.553) 7.522 4.235 ( -4.292 0.561 0.289) 4.338 4.370 ( 2.267 1.930 -9.515) 9.970 5.223 ( -5.529 -0.127 -0.915) 5.605 6.008 ( 4.722 4.902 2.267) 7.174 6.648 ( -14.490 4.220 -1.260) 15.144 6.998 ( -7.682 -15.968 1.446) 17.779 7.905 ( 9.966 7.195 -4.960) 13.255 8.870 ( -0.489 -4.983 -1.943) 5.371 8.911 ( 0.364 -5.549 -3.170) 6.401 9.201 ( 6.611 4.894 -1.731) 8.406 11.414 ( -3.987 0.273 5.675) 6.941 11.721 ( -1.142 4.083 -0.433) 4.262 12.319 ( -17.740 6.799 3.753) 19.366 12.704 ( 4.118 9.366 -4.875) 11.333 12.989 ( 1.574 -1.824 0.785) 2.534 13.334 ( -12.124 -21.827 3.814) 25.258 14.485 ( 30.206 -2.609 -12.595) 32.831 15.157 ( 1.921 15.400 -0.049) 15.519 16.502 ( 6.067 2.572 -0.273) 6.595 16.914 ( -1.351 -29.928 -3.551) 30.168 17.395 ( -7.618 9.206 12.190) 17.070 17.982 ( 1.726 -3.940 0.023) 4.301 ======================= Grid point 798 (364/481) ======================= q-point: ( 0.19 0.06 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -5.803 -6.385 -4.625) 9.789 2.207 ( 6.775 -23.153 5.675) 24.783 2.500 ( 14.014 -18.358 5.874) 23.830 2.656 ( 8.020 -10.505 -5.415) 14.283 3.114 ( 0.702 -12.731 -0.320) 12.755 3.279 ( 1.014 -11.033 1.853) 11.233 3.550 ( -3.425 -13.917 -1.188) 14.381 3.836 ( 7.929 -14.747 0.717) 16.759 4.211 ( -5.626 -1.341 1.895) 6.086 4.364 ( 3.341 -3.538 -4.334) 6.516 5.194 ( -6.605 -1.115 -0.323) 6.706 5.936 ( 3.889 5.603 0.792) 6.866 6.478 ( -13.614 4.588 -1.560) 14.450 7.276 ( -7.811 -14.495 4.039) 16.954 7.819 ( 9.956 3.508 -6.891) 12.606 8.820 ( 1.061 7.079 -5.014) 8.739 8.995 ( 1.782 -0.899 -3.221) 3.790 9.323 ( 2.707 -15.683 1.642) 16.000 11.413 ( -4.272 -0.440 5.990) 7.370 11.656 ( 0.285 0.938 -1.028) 1.420 12.095 ( -15.696 6.281 3.226) 17.212 12.584 ( 7.315 7.007 -4.698) 11.166 13.043 ( 4.886 -1.629 1.722) 5.431 13.708 ( -11.063 -22.521 5.911) 25.778 14.613 ( 19.690 2.585 -10.041) 22.253 14.915 ( -2.869 6.571 -3.470) 7.966 16.430 ( 4.962 8.034 0.197) 9.445 17.052 ( -10.142 11.206 -1.644) 15.203 17.578 ( -0.694 -24.926 8.612) 26.381 18.122 ( 7.708 -8.354 0.506) 11.378 ======================= Grid point 799 (365/481) ======================= q-point: ( 0.25 0.06 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -3.390 -11.798 -0.336) 12.280 2.651 ( 9.779 -17.840 7.033) 21.526 2.803 ( 10.193 -9.254 -11.507) 17.943 3.014 ( 9.122 -16.965 2.825) 19.468 3.285 ( -0.435 -5.917 1.266) 6.067 3.540 ( 0.171 -14.994 5.263) 15.892 3.802 ( -3.244 -15.240 -1.149) 15.624 4.173 ( 4.546 -14.615 -10.038) 18.304 4.276 ( -2.738 -11.025 3.037) 11.759 4.542 ( 2.418 -13.056 2.651) 13.540 5.199 ( -6.090 -3.437 1.621) 7.179 5.860 ( 2.346 4.114 -0.860) 4.814 6.318 ( -10.173 4.462 -0.918) 11.146 7.340 ( 0.868 6.413 2.058) 6.791 7.964 ( 1.578 -16.818 -3.757) 17.305 8.640 ( 4.049 10.650 -3.866) 12.031 9.024 ( -1.559 -3.359 -3.963) 5.423 9.683 ( 2.206 -18.518 2.765) 18.853 11.420 ( -5.218 -1.334 5.631) 7.792 11.701 ( 3.092 -4.703 -1.435) 5.809 11.958 ( -8.469 1.373 1.851) 8.777 12.482 ( 1.269 4.529 -2.848) 5.498 13.118 ( 8.235 -1.509 2.105) 8.632 14.048 ( -6.472 -16.600 4.194) 18.304 14.488 ( 3.182 12.959 -0.911) 13.375 14.926 ( 1.734 -7.774 -10.834) 13.447 16.271 ( 1.392 10.947 1.211) 11.101 16.754 ( -7.536 13.247 1.085) 15.279 17.955 ( -3.703 -14.212 2.887) 14.967 18.384 ( 11.589 -11.914 1.746) 16.712 ======================= Grid point 800 (366/481) ======================= q-point: ( 0.31 0.06 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 0.616 -12.740 1.316) 12.823 2.972 ( 10.707 -7.400 -3.626) 13.511 3.057 ( 7.014 -16.664 -3.299) 18.379 3.230 ( -0.037 -4.964 0.910) 5.046 3.441 ( 5.335 -8.132 2.010) 9.932 3.824 ( 1.239 -12.332 6.408) 13.953 4.068 ( -2.189 -15.467 -1.111) 15.660 4.347 ( -2.256 -10.002 -2.342) 10.518 4.611 ( 0.788 -18.810 -5.229) 19.539 4.830 ( -0.483 -15.545 2.418) 15.739 5.271 ( -3.537 -5.918 4.427) 8.194 5.818 ( 0.856 0.481 -1.764) 2.018 6.193 ( -5.893 3.534 -0.050) 6.871 7.160 ( 4.710 13.298 -0.272) 14.110 8.336 ( -2.082 -22.043 0.348) 22.144 8.474 ( 5.797 8.243 -3.377) 10.628 9.067 ( -3.485 -3.886 -2.945) 5.993 10.020 ( 2.987 -14.233 3.385) 14.932 11.439 ( -5.695 -1.768 6.993) 9.191 11.796 ( 5.606 -1.358 -6.982) 9.056 11.982 ( -2.840 -7.674 2.991) 8.712 12.460 ( -4.035 -5.059 -0.466) 6.487 13.205 ( 8.539 -1.936 1.318) 8.854 14.200 ( -3.061 8.182 0.073) 8.736 14.302 ( 0.656 -2.402 1.510) 2.912 15.070 ( -1.255 -9.932 -8.661) 13.237 16.061 ( -2.492 11.031 2.033) 11.490 16.504 ( -4.670 9.889 1.076) 10.989 18.134 ( -1.021 -6.669 1.090) 6.834 18.649 ( 9.181 -8.443 1.736) 12.594 ======================= Grid point 801 (367/481) ======================= q-point: ( 0.38 0.06 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 2.380 -8.079 2.124) 8.685 3.129 ( 5.294 -5.294 -5.865) 9.511 3.250 ( 0.401 -4.298 0.923) 4.414 3.439 ( 8.286 -13.712 0.045) 16.021 3.609 ( 2.948 -7.104 -0.896) 7.744 4.056 ( 2.226 -9.381 5.981) 11.346 4.349 ( -1.336 -15.406 0.851) 15.487 4.516 ( -0.567 -9.233 -3.750) 9.981 4.853 ( -5.781 -11.011 -1.726) 12.556 5.134 ( -1.572 -15.581 -0.645) 15.673 5.374 ( -0.574 -3.606 4.940) 6.143 5.852 ( -0.498 -4.590 -1.336) 4.806 6.125 ( -1.574 1.274 0.541) 2.096 6.923 ( 4.121 14.234 -0.539) 14.829 8.373 ( 5.212 4.622 -1.074) 7.048 8.753 ( -0.779 -22.453 0.637) 22.476 9.103 ( -3.120 -2.556 -1.236) 4.218 10.258 ( 3.594 -7.648 3.222) 9.044 11.463 ( -6.025 -1.531 8.277) 10.351 11.761 ( 5.422 3.794 -9.054) 11.215 12.207 ( -0.628 -15.066 1.933) 15.203 12.618 ( -3.484 -12.562 0.289) 13.039 13.299 ( 5.937 -3.512 0.023) 6.898 13.943 ( -4.664 13.232 0.523) 14.039 14.387 ( 6.105 -1.626 -0.298) 6.325 15.197 ( -4.656 -7.266 -5.273) 10.113 15.871 ( -4.241 7.168 1.626) 8.485 16.332 ( -2.582 6.824 1.111) 7.380 18.217 ( 0.577 -2.292 0.401) 2.397 18.813 ( 6.938 -3.728 1.149) 7.960 ======================= Grid point 802 (368/481) ======================= q-point: ( 0.44 0.06 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 2.239 -3.520 2.370) 4.798 3.180 ( -0.399 -1.151 -1.543) 1.965 3.350 ( 3.226 -4.298 -1.425) 5.560 3.685 ( 7.431 -4.997 1.444) 9.070 3.773 ( 1.147 -11.796 -4.064) 12.529 4.246 ( 2.638 -7.547 4.218) 9.040 4.606 ( -2.700 -9.805 -1.841) 10.335 4.646 ( 1.192 -8.104 0.927) 8.243 5.013 ( -4.958 -10.444 0.509) 11.572 5.318 ( -6.776 -6.483 -3.303) 9.942 5.422 ( 2.513 0.093 3.385) 4.217 5.957 ( -0.923 -6.613 -0.580) 6.703 6.140 ( 2.284 -2.423 0.836) 3.433 6.684 ( 1.705 12.640 0.276) 12.758 8.348 ( 5.107 1.286 -0.276) 5.273 9.089 ( -7.876 -4.587 0.088) 9.115 9.190 ( 5.510 -17.093 1.337) 18.008 10.358 ( 3.051 0.315 2.132) 3.736 11.473 ( -6.559 -0.385 8.499) 10.743 11.707 ( 6.000 1.698 -8.838) 10.817 12.516 ( -0.719 -17.211 1.027) 17.257 12.829 ( -0.948 -10.435 -0.437) 10.488 13.394 ( 2.570 -3.310 -0.689) 4.247 13.678 ( -4.525 12.198 0.955) 13.045 14.449 ( 8.414 -1.378 -0.597) 8.547 15.234 ( -6.473 -1.503 -2.271) 7.022 15.770 ( -3.429 1.653 0.400) 3.827 16.220 ( -1.322 4.470 0.967) 4.760 18.237 ( 0.653 0.326 0.053) 0.731 18.887 ( 5.103 -0.525 0.643) 5.170 ======================= Grid point 803 (369/481) ======================= q-point: ( 0.50 0.06 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 0.851 -0.868 1.839) 2.205 3.187 ( -0.500 -0.499 -0.434) 0.829 3.413 ( 1.223 -1.149 -0.001) 1.678 3.770 ( 3.753 -2.002 -2.125) 4.755 3.967 ( 2.574 -7.105 -1.681) 7.742 4.385 ( 1.874 -4.285 2.089) 5.122 4.652 ( -2.186 -1.343 -2.282) 3.434 4.872 ( -0.491 -11.077 6.150) 12.679 5.167 ( 0.178 -5.708 -2.118) 6.091 5.310 ( -8.161 -0.171 -0.543) 8.180 5.422 ( 2.103 1.341 -1.514) 2.918 6.061 ( -0.013 -4.466 -0.122) 4.467 6.224 ( 3.286 -3.465 -0.012) 4.775 6.487 ( -0.690 8.429 1.442) 8.580 8.367 ( 4.202 0.101 0.239) 4.210 9.069 ( -5.098 0.505 0.278) 5.130 9.569 ( 3.220 -17.476 1.269) 17.815 10.296 ( 1.358 7.595 0.574) 7.736 11.466 ( -5.743 -0.076 7.800) 9.687 11.702 ( 5.831 0.147 -7.619) 9.596 12.821 ( -0.901 -14.708 0.471) 14.743 12.991 ( 0.569 -7.319 -0.868) 7.392 13.413 ( -0.326 3.103 0.115) 3.122 13.458 ( -1.507 8.155 0.433) 8.305 14.532 ( 5.659 -2.074 -0.395) 6.040 15.191 ( -4.893 0.639 -0.654) 4.978 15.756 ( -1.770 -1.102 -0.089) 2.087 16.153 ( -0.584 2.318 0.573) 2.458 18.223 ( -0.140 1.070 -0.079) 1.082 18.906 ( 3.196 1.041 0.256) 3.371 ======================= Grid point 804 (370/481) ======================= q-point: (-0.44 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -0.990 0.759 0.796) 1.480 3.193 ( 0.113 -0.229 -0.062) 0.263 3.409 ( -0.811 1.874 2.126) 2.947 3.797 ( 2.230 -0.162 -5.380) 5.826 4.034 ( 2.477 1.511 1.243) 3.157 4.427 ( -0.282 0.749 -0.672) 1.045 4.649 ( -1.631 0.166 1.658) 2.332 5.072 ( -0.701 -7.764 6.090) 9.892 5.118 ( -1.036 7.081 -7.700) 10.512 5.304 ( -3.815 -0.556 6.119) 7.232 5.433 ( 3.216 -2.519 -5.184) 6.600 6.111 ( 1.025 -0.320 0.428) 1.156 6.240 ( -1.096 3.446 0.072) 3.617 6.422 ( 0.992 -1.904 -0.091) 2.149 8.373 ( 2.741 1.924 0.360) 3.368 9.042 ( -5.328 -1.342 -0.174) 5.497 9.801 ( 4.092 -0.035 -0.438) 4.115 10.170 ( -1.371 1.086 -0.109) 1.752 11.466 ( -4.683 -0.268 8.330) 9.560 11.703 ( 4.937 0.551 -7.591) 9.072 12.997 ( -0.132 -1.516 0.076) 1.524 13.064 ( 0.310 1.682 -0.164) 1.719 13.328 ( -2.338 -0.488 1.784) 2.981 13.408 ( 3.328 -1.451 -1.389) 3.888 14.524 ( -2.354 4.658 -0.118) 5.221 15.205 ( 1.401 -3.877 -0.290) 4.133 15.774 ( -0.011 -1.189 -0.049) 1.191 16.130 ( -0.462 0.065 0.454) 0.650 18.204 ( -1.233 0.353 -0.072) 1.285 18.894 ( 1.241 1.458 -0.150) 1.920 ======================= Grid point 805 (371/481) ======================= q-point: (-0.38 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -2.134 2.028 -0.066) 2.945 3.185 ( -0.518 1.949 2.071) 2.891 3.356 ( -1.476 3.327 2.289) 4.300 3.754 ( -0.660 3.305 -7.845) 8.538 3.958 ( 4.080 8.771 3.355) 10.238 4.357 ( -2.008 4.843 -3.003) 6.042 4.631 ( -1.707 2.109 4.361) 5.137 4.912 ( -0.555 11.120 -6.536) 12.910 5.158 ( 0.733 0.720 3.455) 3.605 5.318 ( -4.755 -1.697 3.374) 6.072 5.487 ( 5.839 -0.826 -1.937) 6.207 6.089 ( 1.975 3.688 0.264) 4.192 6.149 ( -2.322 3.684 0.828) 4.433 6.501 ( -0.608 -5.756 -2.099) 6.157 8.331 ( 0.962 3.407 0.395) 3.562 9.057 ( -5.258 -3.280 -0.933) 6.267 9.600 ( 4.034 18.109 -2.082) 18.669 10.257 ( -2.265 -6.505 -0.671) 6.920 11.479 ( -4.358 -0.879 9.496) 10.485 11.690 ( 4.794 0.821 -8.256) 9.582 12.851 ( 1.408 14.841 -0.292) 14.910 12.970 ( -0.751 6.095 0.694) 6.180 13.384 ( -1.139 -2.162 1.252) 2.746 13.552 ( 4.623 -10.420 -1.246) 11.468 14.369 ( -7.530 6.853 0.161) 10.183 15.312 ( 5.250 -4.069 -0.316) 6.650 15.798 ( 1.631 -1.137 -0.076) 1.990 16.150 ( -0.867 -2.470 0.930) 2.778 18.197 ( -2.120 -0.641 -0.043) 2.215 18.867 ( -0.405 1.640 -0.801) 1.870 ======================= Grid point 806 (372/481) ======================= q-point: (-0.31 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -2.252 3.802 -0.404) 4.437 3.091 ( -4.133 8.834 8.006) 12.619 3.312 ( 0.495 1.033 -1.061) 1.562 3.598 ( -2.259 10.117 -5.504) 11.736 3.804 ( 4.232 10.400 -0.745) 11.253 4.220 ( -2.215 6.788 -4.320) 8.345 4.559 ( -4.475 6.035 2.623) 7.958 4.676 ( 2.893 12.367 -1.023) 12.742 5.100 ( 2.592 6.921 1.323) 7.508 5.297 ( -5.629 2.518 0.328) 6.175 5.476 ( 4.008 5.191 0.012) 6.558 5.999 ( 2.263 6.842 -0.279) 7.212 6.126 ( 1.897 -1.392 1.941) 3.050 6.613 ( -4.970 -8.906 -1.954) 10.384 8.283 ( -0.294 1.496 0.903) 1.772 9.048 ( -5.155 3.777 -2.269) 6.782 9.282 ( 5.677 14.564 -1.680) 15.721 10.298 ( -3.045 0.514 -1.637) 3.495 11.511 ( -5.047 -1.786 9.902) 11.256 11.682 ( 6.017 0.304 -8.313) 10.266 12.539 ( 0.687 17.815 -0.574) 17.838 12.845 ( 0.560 7.626 0.062) 7.646 13.339 ( -1.666 6.462 0.895) 6.733 13.795 ( 4.756 -12.342 -0.800) 13.251 14.250 ( -7.874 0.256 0.374) 7.887 15.369 ( 5.887 2.296 -0.006) 6.319 15.851 ( 2.685 -3.665 -0.263) 4.551 16.219 ( -1.314 -5.126 1.862) 5.610 18.198 ( -2.364 -0.708 -0.082) 2.469 18.818 ( -1.458 2.753 -1.966) 3.683 ======================= Grid point 807 (373/481) ======================= q-point: (-0.25 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -1.203 6.920 0.151) 7.025 2.877 ( -7.534 13.327 12.214) 19.584 3.283 ( 1.960 7.059 -1.347) 7.449 3.347 ( -0.678 9.776 -2.641) 10.149 3.613 ( 0.230 9.836 -8.052) 12.714 4.054 ( -1.511 8.310 -5.021) 9.826 4.348 ( -2.704 12.789 -0.768) 13.094 4.504 ( 3.044 10.225 6.059) 12.270 4.930 ( 1.914 14.108 1.512) 14.317 5.115 ( -3.322 12.788 -2.468) 13.441 5.400 ( -0.327 2.982 -0.222) 3.008 5.872 ( 1.768 7.171 -0.250) 7.390 6.224 ( 7.190 -4.624 2.365) 8.870 6.773 ( -8.368 -12.764 -0.112) 15.263 8.291 ( -0.784 -2.226 2.277) 3.279 8.773 ( -0.277 18.722 -3.606) 19.068 9.180 ( 3.174 2.882 -0.529) 4.320 10.195 ( -3.161 7.659 -1.835) 8.487 11.546 ( -5.790 -1.859 9.020) 10.879 11.689 ( 6.881 0.756 -6.952) 9.811 12.230 ( 0.239 13.922 -1.519) 14.007 12.681 ( 1.526 10.394 -0.427) 10.514 13.182 ( -3.793 6.959 -0.069) 7.926 14.046 ( 3.639 -11.712 -0.333) 12.268 14.255 ( -4.757 -3.549 0.339) 5.945 15.286 ( 5.259 9.744 0.394) 11.080 15.967 ( 2.450 -6.870 -0.490) 7.310 16.343 ( -1.307 -8.217 3.290) 8.947 18.189 ( -1.699 0.499 -0.200) 1.782 18.721 ( -2.009 5.899 -3.911) 7.357 ======================= Grid point 808 (374/481) ======================= q-point: (-0.19 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 1.939 11.499 4.099) 12.361 2.618 ( -11.651 12.441 14.974) 22.688 2.982 ( 1.655 18.757 -2.762) 19.032 3.249 ( -0.066 8.793 -6.326) 10.832 3.412 ( -1.517 5.626 -8.570) 10.364 3.849 ( -0.598 11.415 -5.390) 12.637 4.092 ( 0.800 13.861 2.329) 14.078 4.324 ( 1.449 14.371 9.049) 17.044 4.599 ( -0.025 19.006 -0.156) 19.007 4.834 ( -1.860 14.126 -5.344) 15.218 5.347 ( 0.343 2.603 -0.839) 2.756 5.784 ( -0.042 2.276 0.792) 2.410 6.376 ( 8.854 -5.624 1.741) 10.633 6.992 ( -8.043 -15.147 2.365) 17.312 8.309 ( 0.018 11.414 3.298) 11.881 8.457 ( 0.561 3.300 -3.206) 4.635 9.131 ( 2.742 4.483 0.185) 5.258 9.970 ( -2.573 13.963 -1.215) 14.250 11.564 ( -6.843 -0.208 9.413) 11.639 11.667 ( 6.944 3.656 -6.189) 9.995 12.058 ( 1.271 2.837 -3.780) 4.894 12.505 ( 0.754 7.939 0.586) 7.996 13.065 ( -3.950 2.832 -1.624) 5.124 14.248 ( 0.990 -7.268 -0.156) 7.336 14.298 ( -1.149 -2.266 0.264) 2.554 15.091 ( 4.747 13.230 -0.236) 14.057 16.116 ( 0.711 -7.811 -0.258) 7.847 16.541 ( -0.770 -12.159 5.264) 13.272 18.156 ( -0.112 2.428 -0.394) 2.462 18.529 ( -2.553 11.890 -6.774) 13.920 ======================= Grid point 809 (375/481) ======================= q-point: (-0.12 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 3.292 15.242 12.514) 19.994 2.393 ( -14.331 9.403 18.270) 25.051 2.643 ( 3.938 16.573 -9.236) 19.378 2.909 ( -2.156 20.294 -12.557) 23.962 3.327 ( 1.276 4.704 -2.648) 5.547 3.576 ( -0.220 15.805 -4.539) 16.445 3.846 ( 1.627 14.509 2.823) 14.871 3.998 ( -1.040 22.180 12.704) 25.582 4.357 ( 0.404 6.390 -3.863) 7.478 4.549 ( -0.237 11.499 -8.320) 14.195 5.307 ( 1.212 1.862 -0.413) 2.259 5.791 ( -1.224 -2.584 1.461) 3.211 6.540 ( 6.540 -6.346 0.980) 9.165 7.254 ( -4.727 -15.378 4.220) 16.632 7.930 ( 1.937 23.350 -1.378) 23.471 8.589 ( -0.126 -10.649 2.435) 10.925 9.050 ( 2.139 5.517 0.791) 5.969 9.645 ( -1.720 18.615 -0.204) 18.695 11.531 ( -8.317 1.567 6.277) 10.537 11.621 ( 7.376 2.569 -3.762) 8.670 12.118 ( 1.295 -8.585 -2.748) 9.107 12.416 ( 0.422 2.154 0.827) 2.346 13.012 ( -2.402 0.483 -2.117) 3.238 14.284 ( 1.966 5.581 -2.757) 6.527 14.290 ( -3.298 3.033 2.622) 5.191 14.917 ( 5.097 5.335 -1.859) 7.609 16.256 ( -0.724 -7.137 0.194) 7.176 16.819 ( -0.615 -15.200 7.867) 17.126 18.094 ( 3.988 5.675 -1.820) 7.171 18.184 ( -5.694 19.148 -9.089) 21.947 ======================= Grid point 810 (376/481) ======================= q-point: (-0.06 0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -0.726 15.930 16.219) 22.745 2.148 ( 1.182 26.049 13.751) 29.479 2.315 ( -11.126 7.615 -2.093) 13.644 2.582 ( 7.787 7.611 -15.812) 19.198 3.156 ( 3.300 15.148 3.195) 15.829 3.234 ( -2.717 17.966 -3.300) 18.468 3.580 ( 0.804 16.013 3.168) 16.343 3.692 ( -2.513 10.436 6.861) 12.739 4.283 ( 0.065 0.785 -5.117) 5.178 4.402 ( 2.717 1.981 -8.450) 9.094 5.286 ( 0.111 0.824 -0.011) 0.831 5.861 ( -0.721 -4.649 1.611) 4.973 6.683 ( 1.186 -5.919 0.249) 6.041 7.444 ( -12.710 10.051 6.695) 17.532 7.583 ( 14.551 -0.863 -4.504) 15.257 8.817 ( 0.544 -11.476 2.317) 11.720 8.969 ( 2.008 4.329 0.626) 4.813 9.284 ( -0.748 17.768 0.584) 17.793 11.474 ( -6.307 0.687 1.144) 6.447 11.651 ( 4.167 -2.502 -0.497) 4.886 12.313 ( -8.274 -10.773 6.007) 14.853 12.452 ( 8.942 -5.871 -4.902) 11.767 12.993 ( -0.796 0.340 -1.228) 1.503 13.979 ( -14.350 19.096 2.371) 24.004 14.230 ( 16.531 8.222 -5.186) 19.177 14.960 ( 1.737 -6.849 -1.221) 7.171 16.373 ( -0.311 -5.498 0.368) 5.519 17.121 ( -0.344 -11.540 12.931) 17.335 17.646 ( -3.295 27.533 -15.218) 31.631 18.031 ( 0.415 3.885 -0.050) 3.907 ======================= Grid point 814 (377/481) ======================= q-point: ( 0.12 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 15.614 0.000 -2.705) 15.847 2.062 ( 4.648 0.000 -21.595) 22.090 2.225 ( -2.589 -0.000 -0.850) 2.725 2.285 ( 5.894 0.000 25.579) 26.249 2.835 ( 3.725 0.000 3.847) 5.355 3.105 ( 11.934 0.000 -3.647) 12.479 3.120 ( -3.352 -0.000 -2.073) 3.941 3.631 ( 2.898 0.000 7.089) 7.659 4.208 ( -7.737 -0.000 1.455) 7.873 4.376 ( 3.150 0.000 -9.412) 9.925 5.184 ( -6.322 -0.000 -1.325) 6.459 6.106 ( 5.602 0.000 3.080) 6.393 6.593 ( -19.731 -0.000 -1.627) 19.798 6.788 ( -4.152 -0.000 0.025) 4.152 8.010 ( 6.400 0.000 -4.753) 7.972 8.771 ( 0.018 0.000 -0.167) 0.168 8.868 ( 0.490 0.000 -7.700) 7.716 9.296 ( 7.243 0.000 -3.997) 8.273 11.418 ( -2.672 -0.000 5.505) 6.119 11.768 ( -1.663 -0.000 3.290) 3.686 12.274 ( -24.490 -0.000 2.013) 24.573 12.827 ( -2.332 -0.000 -2.632) 3.517 12.948 ( -0.258 -0.000 0.299) 0.395 13.054 ( 0.698 0.000 -0.204) 0.727 14.579 ( 23.302 0.000 -13.041) 26.703 15.421 ( 12.278 0.000 -1.810) 12.410 16.449 ( -0.161 -0.000 0.000) 0.161 16.665 ( 7.178 0.000 0.100) 7.178 17.480 ( -8.446 -0.000 13.614) 16.021 17.944 ( 0.107 0.000 -0.019) 0.108 ======================= Grid point 815 (378/481) ======================= q-point: ( 0.19 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 13.764 -26.495 -3.546) 30.067 1.950 ( -1.677 1.018 -10.952) 11.126 2.397 ( -1.580 -13.761 -0.685) 13.869 2.450 ( 16.187 -4.545 15.173) 22.647 2.960 ( 5.583 -7.557 3.104) 9.895 3.118 ( 2.053 -5.598 -2.213) 6.360 3.282 ( -0.271 -11.393 -3.953) 12.063 3.718 ( 7.527 -4.633 4.351) 9.852 4.162 ( -9.158 -0.185 1.540) 9.288 4.356 ( 4.483 0.908 -6.302) 7.787 5.141 ( -7.012 -0.135 -0.837) 7.063 6.072 ( 2.607 5.979 1.060) 6.609 6.457 ( -14.538 2.359 -0.720) 14.746 6.927 ( -6.411 -15.390 1.259) 16.719 7.960 ( 5.374 6.081 -5.375) 9.733 8.833 ( -0.235 -0.997 -8.174) 8.238 8.895 ( 0.122 -9.192 -2.162) 9.444 9.268 ( 7.405 4.193 -3.012) 9.027 11.415 ( -2.017 0.638 3.811) 4.359 11.713 ( -1.999 4.523 3.906) 6.302 12.092 ( -22.648 3.772 3.149) 23.175 12.740 ( 6.372 6.240 -4.551) 10.013 13.017 ( 2.352 -4.083 1.030) 4.823 13.256 ( -6.168 -19.318 3.408) 20.563 14.661 ( 14.506 -1.904 -13.866) 20.157 15.206 ( 6.989 21.349 -0.994) 22.485 16.585 ( 8.325 1.858 -2.071) 8.778 16.863 ( -1.711 -20.720 -3.669) 21.112 17.421 ( -5.560 3.701 17.571) 18.798 18.015 ( 3.638 -6.787 0.950) 7.759 ======================= Grid point 816 (379/481) ======================= q-point: ( 0.25 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -0.601 -7.033 -4.804) 8.539 2.326 ( 11.346 -25.619 -3.654) 28.256 2.649 ( 5.355 -11.446 3.354) 13.074 2.764 ( 12.574 -15.342 4.504) 20.341 3.143 ( 3.915 -8.069 -1.243) 9.055 3.309 ( 0.781 -12.248 5.265) 13.355 3.499 ( -3.580 -14.263 -0.902) 14.733 3.922 ( 9.696 -11.333 -7.040) 16.493 4.143 ( -7.654 -3.087 2.412) 8.598 4.392 ( 3.707 -4.574 -1.378) 6.046 5.116 ( -6.634 -1.800 1.242) 6.985 5.959 ( -1.115 5.780 -1.859) 6.173 6.338 ( -8.017 3.458 1.540) 8.866 7.217 ( -6.772 -16.404 3.231) 18.039 7.860 ( 4.856 3.881 -6.416) 8.934 8.782 ( 1.005 3.339 -10.115) 10.700 8.990 ( 1.403 0.675 -3.934) 4.231 9.375 ( 4.091 -14.246 2.049) 14.962 11.399 ( -2.519 0.216 1.664) 3.027 11.668 ( -0.357 0.056 3.504) 3.523 11.934 ( -15.197 2.251 4.654) 16.053 12.618 ( 3.636 8.417 -4.226) 10.096 13.128 ( 7.414 -3.781 1.921) 8.541 13.640 ( -7.366 -22.744 5.394) 24.507 14.726 ( 11.277 -0.239 -13.014) 17.222 14.855 ( -2.675 14.183 -1.573) 14.519 16.497 ( 6.330 9.904 -0.846) 11.784 16.924 ( -8.775 8.320 -2.088) 12.271 17.623 ( -3.026 -18.585 10.197) 21.413 18.241 ( 10.544 -11.514 3.168) 15.931 ======================= Grid point 817 (380/481) ======================= q-point: ( 0.31 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 2.709 -13.382 -1.260) 13.711 2.771 ( 10.268 -17.405 -8.581) 21.954 2.895 ( 10.445 -9.061 4.875) 14.662 3.096 ( 3.183 -10.809 0.257) 11.271 3.312 ( 1.957 -9.249 3.554) 10.100 3.597 ( 2.525 -14.757 6.336) 16.257 3.765 ( -2.055 -15.054 0.101) 15.194 4.143 ( -1.579 -9.940 -4.085) 10.862 4.269 ( 3.537 -14.540 -5.797) 16.048 4.560 ( -1.745 -11.939 -0.285) 12.069 5.157 ( -4.148 -5.048 5.288) 8.406 5.850 ( -2.407 3.381 -3.200) 5.241 6.244 ( -2.858 4.113 3.182) 5.934 7.349 ( -0.842 2.689 0.679) 2.898 7.945 ( -0.808 -15.207 -3.120) 15.545 8.656 ( 5.319 7.976 -7.958) 12.459 8.972 ( -2.391 -1.776 -4.370) 5.288 9.737 ( 3.203 -18.618 3.887) 19.287 11.402 ( -2.765 -1.356 3.103) 4.372 11.729 ( 1.617 -4.949 -0.249) 5.213 11.880 ( -7.649 -2.290 5.058) 9.452 12.460 ( -1.570 6.707 -2.904) 7.476 13.239 ( 9.939 -1.677 2.114) 10.299 14.012 ( -4.495 -18.046 3.758) 18.973 14.504 ( 0.367 16.082 -0.222) 16.088 14.855 ( -0.618 -8.492 -12.359) 15.008 16.302 ( 2.578 13.455 0.882) 13.728 16.666 ( -7.941 11.168 -0.043) 13.704 17.939 ( -2.906 -13.699 3.530) 14.442 18.539 ( 11.604 -10.798 3.800) 16.300 ======================= Grid point 818 (381/481) ======================= q-point: ( 0.38 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 4.494 -13.222 0.807) 13.988 3.020 ( 8.018 -8.386 -10.665) 15.759 3.154 ( 5.308 -7.746 3.149) 9.904 3.260 ( 4.302 -9.743 3.874) 11.333 3.507 ( 4.492 -7.403 0.961) 8.713 3.901 ( 3.710 -11.924 7.651) 14.645 4.029 ( -2.355 -16.142 -2.380) 16.485 4.305 ( -4.070 -10.676 -0.207) 11.427 4.575 ( -0.159 -14.995 -6.679) 16.416 4.799 ( -4.636 -16.840 -2.271) 17.614 5.284 ( -1.226 -6.942 8.157) 10.781 5.798 ( -1.558 -0.438 -3.105) 3.502 6.175 ( 0.437 3.646 3.867) 5.332 7.189 ( 2.038 12.155 -2.579) 12.592 8.308 ( -3.822 -22.351 1.452) 22.722 8.528 ( 8.663 6.595 -6.018) 12.440 9.000 ( -4.682 -4.467 -3.030) 7.145 10.086 ( 3.737 -14.316 4.506) 15.467 11.430 ( -3.562 -1.575 6.366) 7.463 11.807 ( 4.098 -0.752 -6.765) 7.945 11.979 ( -1.729 -9.407 4.405) 10.530 12.399 ( -5.857 -5.139 -0.450) 7.805 13.316 ( 9.073 -0.167 1.042) 9.134 14.160 ( -3.939 9.867 0.143) 10.625 14.325 ( 1.671 -5.581 1.371) 5.985 14.984 ( -3.132 -9.841 -8.980) 13.686 16.051 ( -1.592 13.226 1.941) 13.462 16.449 ( -5.284 7.845 -0.023) 9.459 18.131 ( -0.963 -7.412 1.376) 7.600 18.774 ( 9.466 -6.352 2.788) 11.736 ======================= Grid point 819 (382/481) ======================= q-point: ( 0.44 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 3.903 -7.681 2.124) 8.874 3.133 ( 2.137 -3.412 -5.201) 6.577 3.276 ( 3.291 -5.146 0.333) 6.118 3.545 ( 7.572 -12.935 0.867) 15.013 3.647 ( 5.650 -4.792 -0.024) 7.408 4.122 ( 2.084 -8.603 4.767) 10.054 4.333 ( -0.706 -16.368 -0.564) 16.393 4.483 ( -2.474 -10.139 -2.162) 10.658 4.767 ( -6.894 -11.372 -1.361) 13.368 5.075 ( -5.493 -14.262 -3.384) 15.653 5.418 ( 0.780 -3.909 7.207) 8.236 5.834 ( -0.410 -4.979 -2.242) 5.475 6.148 ( 2.647 1.158 3.978) 4.916 6.941 ( 1.172 13.775 -2.923) 14.130 8.434 ( 6.357 3.834 -1.529) 7.580 8.742 ( -1.765 -21.201 0.390) 21.277 9.062 ( -2.479 -5.561 -0.902) 6.156 10.326 ( 3.853 -7.017 3.916) 8.912 11.454 ( -5.089 -0.840 8.481) 9.927 11.763 ( 5.180 3.646 -9.019) 11.021 12.215 ( -0.317 -14.676 2.248) 14.850 12.576 ( -4.046 -14.391 0.089) 14.950 13.368 ( 5.884 -0.936 -0.336) 5.968 13.892 ( -4.609 13.269 0.606) 14.059 14.457 ( 6.234 -3.619 -0.212) 7.212 15.103 ( -5.518 -7.295 -5.006) 10.427 15.836 ( -3.451 7.987 1.424) 8.816 16.303 ( -3.197 5.407 0.297) 6.289 18.222 ( -0.125 -2.584 0.456) 2.627 18.907 ( 7.427 -2.006 1.681) 7.875 ======================= Grid point 820 (383/481) ======================= q-point: ( 0.50 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 2.142 -2.552 2.113) 3.946 3.164 ( -0.671 -1.318 -1.242) 1.932 3.382 ( 3.627 -3.428 -0.800) 5.055 3.724 ( 1.444 -4.366 -3.768) 5.945 3.834 ( 9.602 -9.271 2.018) 13.499 4.293 ( 1.353 -7.222 2.120) 7.647 4.561 ( -1.532 -7.028 -2.859) 7.740 4.659 ( -1.929 -12.086 3.123) 12.631 4.963 ( -3.744 -12.961 0.087) 13.491 5.207 ( -8.269 -5.504 -3.533) 10.543 5.470 ( 1.496 1.042 3.899) 4.304 5.947 ( 0.356 -7.007 -1.372) 7.149 6.192 ( 3.933 -2.102 3.180) 5.477 6.686 ( -0.502 12.403 -1.544) 12.509 8.417 ( 7.140 1.803 -0.494) 7.381 8.988 ( -9.545 -6.493 0.397) 11.551 9.267 ( 5.748 -16.418 1.432) 17.454 10.406 ( 2.680 1.777 2.231) 3.914 11.455 ( -6.086 -0.004 8.048) 10.090 11.722 ( 6.161 1.001 -8.141) 10.259 12.518 ( -0.367 -16.647 1.279) 16.700 12.812 ( -1.179 -11.645 -0.767) 11.730 13.420 ( 2.739 -1.706 -0.944) 3.362 13.635 ( -4.118 11.610 1.086) 12.366 14.540 ( 7.782 -1.397 -0.505) 7.922 15.144 ( -6.652 -2.215 -1.903) 7.265 15.735 ( -2.847 1.294 0.212) 3.135 16.206 ( -1.744 3.615 0.466) 4.040 18.239 ( -0.328 0.426 0.012) 0.537 18.955 ( 5.514 1.017 0.899) 5.678 ======================= Grid point 821 (384/481) ======================= q-point: ( 0.56 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -0.041 0.314 1.063) 1.109 3.179 ( -0.465 -0.975 -0.354) 1.137 3.432 ( 1.421 -0.288 1.178) 1.869 3.775 ( 1.965 -1.713 -5.422) 6.016 4.027 ( 6.775 -4.951 2.070) 8.643 4.404 ( 0.128 -3.309 -0.041) 3.312 4.621 ( -1.758 -2.448 0.522) 3.059 4.895 ( -1.895 -11.807 5.259) 13.064 5.137 ( -1.328 -2.653 -7.383) 7.957 5.226 ( -6.051 -6.546 2.628) 9.294 5.436 ( 1.062 3.287 0.121) 3.457 6.065 ( 0.937 -4.973 -0.631) 5.099 6.262 ( 2.825 -1.298 0.489) 3.147 6.484 ( -0.973 7.642 0.857) 7.751 8.432 ( 6.644 1.368 0.309) 6.791 8.987 ( -8.921 -0.818 0.374) 8.966 9.629 ( 5.002 -16.416 1.475) 17.224 10.310 ( 0.576 9.339 0.217) 9.359 11.453 ( -5.193 -0.753 7.281) 8.975 11.723 ( 5.839 0.597 -6.827) 9.003 12.817 ( -0.468 -14.392 0.596) 14.412 12.990 ( 0.324 -8.049 -0.953) 8.111 13.403 ( -1.636 6.436 0.885) 6.700 13.454 ( 0.663 3.872 -0.468) 3.956 14.584 ( 3.704 1.413 -0.275) 3.974 15.137 ( -3.746 -2.416 -0.481) 4.484 15.736 ( -1.481 -1.996 -0.234) 2.496 16.148 ( -0.807 1.969 0.344) 2.155 18.215 ( -1.008 1.374 -0.137) 1.710 18.948 ( 3.534 2.546 0.382) 4.373 ======================= Grid point 822 (385/481) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( -1.442 1.577 0.111) 2.139 3.193 ( -0.030 -0.677 0.125) 0.689 3.419 ( -0.448 2.583 2.866) 3.884 3.770 ( 0.979 1.049 -7.080) 7.224 4.101 ( 5.626 1.952 3.222) 6.770 4.408 ( -1.312 2.141 -1.894) 3.145 4.651 ( -1.168 -0.584 3.762) 3.982 5.039 ( -3.222 5.758 -7.770) 10.193 5.092 ( -1.815 -7.904 4.366) 9.211 5.310 ( -2.054 0.590 5.509) 5.909 5.438 ( 2.933 -4.912 -4.096) 7.036 6.127 ( 1.250 -0.870 0.103) 1.526 6.226 ( -1.185 4.768 -0.064) 4.913 6.434 ( 1.052 -0.991 -0.165) 1.455 8.422 ( 5.057 3.897 0.569) 6.409 8.960 ( -8.033 -2.343 -0.195) 8.370 9.860 ( 6.012 1.269 -0.024) 6.145 10.143 ( -2.910 1.802 -0.673) 3.488 11.469 ( -4.358 -1.012 8.187) 9.330 11.712 ( 5.015 1.320 -7.211) 8.882 12.996 ( -0.148 -2.486 0.101) 2.493 13.067 ( 0.425 2.307 -0.135) 2.350 13.317 ( -1.606 -0.905 1.739) 2.534 13.436 ( 3.110 -2.595 -1.494) 4.317 14.490 ( -3.261 8.326 0.023) 8.942 15.223 ( 1.825 -6.872 -0.249) 7.114 15.773 ( -0.090 -2.232 -0.161) 2.240 16.126 ( -0.613 0.050 0.344) 0.705 18.185 ( -1.701 0.702 -0.124) 1.845 18.912 ( 1.683 2.887 -0.057) 3.342 ======================= Grid point 823 (386/481) ======================= q-point: (-0.31 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -1.722 2.395 -0.236) 2.959 3.194 ( -0.429 1.569 2.210) 2.744 3.357 ( -1.275 3.973 2.537) 4.884 3.695 ( -0.281 4.605 -7.707) 8.982 4.041 ( 5.635 9.076 3.567) 11.263 4.311 ( -2.125 5.666 -3.522) 7.002 4.636 ( -2.641 3.129 4.733) 6.258 4.867 ( 0.107 8.322 -6.074) 10.303 5.173 ( -0.920 -0.379 1.134) 1.509 5.288 ( -3.489 0.801 3.338) 4.895 5.541 ( 4.495 -2.390 -0.483) 5.114 6.106 ( 0.636 3.501 0.525) 3.597 6.148 ( 0.515 2.268 1.206) 2.620 6.470 ( -1.786 -3.186 -2.880) 4.651 8.355 ( 2.451 5.081 0.558) 5.669 8.983 ( -5.761 -3.965 -0.950) 7.057 9.635 ( 3.753 18.466 -1.723) 18.922 10.227 ( -2.042 -5.998 -0.687) 6.373 11.492 ( -4.358 -1.040 9.522) 10.523 11.693 ( 4.976 0.765 -8.232) 9.649 12.866 ( 1.297 15.288 -0.211) 15.345 12.965 ( -0.719 5.414 0.520) 5.486 13.381 ( -0.755 -2.369 1.098) 2.718 13.596 ( 4.054 -11.005 -1.131) 11.782 14.289 ( -6.153 8.397 0.208) 10.412 15.364 ( 3.919 -5.296 -0.362) 6.598 15.813 ( 1.038 -2.024 -0.081) 2.276 16.144 ( -1.073 -2.441 0.834) 2.793 18.172 ( -2.010 -0.416 -0.084) 2.054 18.862 ( 0.331 2.929 -0.666) 3.022 ======================= Grid point 824 (387/481) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -1.565 3.826 -0.127) 4.135 3.103 ( -2.691 9.344 7.501) 12.281 3.308 ( -0.069 0.727 -0.871) 1.137 3.548 ( 0.533 8.482 -6.533) 10.719 3.850 ( 3.615 14.769 0.463) 15.212 4.168 ( -1.950 6.691 -4.082) 8.077 4.519 ( -3.680 8.213 1.665) 9.153 4.714 ( 3.088 8.149 0.159) 8.716 5.117 ( -0.035 5.677 -0.829) 5.738 5.242 ( -3.886 3.954 1.508) 5.745 5.512 ( 1.863 6.982 0.272) 7.231 6.023 ( 1.969 6.790 -0.283) 7.076 6.189 ( 5.343 -4.444 4.031) 8.034 6.523 ( -6.976 -7.138 -3.821) 10.687 8.293 ( 0.727 2.161 0.833) 2.428 8.983 ( -3.248 3.314 -2.019) 5.060 9.324 ( 3.138 13.687 -1.351) 14.107 10.259 ( -1.984 1.191 -1.143) 2.581 11.517 ( -4.925 -1.068 9.367) 10.636 11.697 ( 5.696 -0.756 -7.995) 9.845 12.542 ( 0.451 18.388 -0.404) 18.398 12.849 ( 0.201 7.174 -0.064) 7.177 13.329 ( -0.938 7.755 0.701) 7.843 13.840 ( 3.587 -12.400 -0.566) 12.921 14.173 ( -5.359 -0.356 0.285) 5.378 15.426 ( 4.056 1.769 -0.454) 4.449 15.874 ( 1.345 -4.104 -0.033) 4.319 16.214 ( -1.604 -5.425 1.755) 5.923 18.173 ( -1.684 -0.746 -0.074) 1.843 18.796 ( -0.288 3.982 -1.669) 4.328 ======================= Grid point 825 (388/481) ======================= q-point: (-0.19 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -1.471 5.688 0.834) 5.934 2.884 ( -3.655 14.438 9.957) 17.916 3.294 ( 1.001 3.457 -1.336) 3.839 3.345 ( 3.195 11.285 -2.631) 12.020 3.558 ( -0.649 14.865 -6.936) 16.416 4.009 ( -1.199 8.196 -3.642) 9.048 4.327 ( -1.038 10.727 1.054) 10.828 4.573 ( 2.848 9.817 3.571) 10.828 4.950 ( 0.322 13.731 1.063) 13.775 5.051 ( -3.710 12.923 -3.014) 13.779 5.401 ( -0.266 4.168 1.037) 4.304 5.888 ( 1.236 7.534 -0.604) 7.659 6.339 ( 8.199 -4.429 3.042) 9.803 6.665 ( -8.374 -14.276 -1.151) 16.591 8.302 ( 0.055 -2.489 1.736) 3.035 8.747 ( -0.107 17.600 -3.007) 17.855 9.204 ( 1.531 2.820 -0.592) 3.263 10.158 ( -1.602 7.868 -0.922) 8.082 11.538 ( -5.962 -1.235 8.914) 10.794 11.720 ( 6.602 -0.083 -7.445) 9.951 12.223 ( -0.124 14.452 -0.919) 14.481 12.689 ( 0.451 9.959 -0.336) 9.975 13.150 ( -1.573 8.525 -0.034) 8.669 14.078 ( 1.607 -10.979 -0.099) 11.096 14.215 ( -2.111 -4.985 0.253) 5.419 15.336 ( 3.557 9.525 -0.922) 10.210 15.983 ( 0.450 -6.632 0.068) 6.648 16.346 ( -1.686 -9.091 3.072) 9.743 18.173 ( -0.857 0.148 -0.055) 0.871 18.685 ( -0.184 7.354 -3.182) 8.015 ======================= Grid point 826 (389/481) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -2.969 6.816 4.564) 8.724 2.612 ( -2.324 15.781 10.648) 19.178 3.020 ( 5.365 20.394 0.250) 21.089 3.191 ( 0.583 13.551 -10.304) 17.033 3.358 ( -0.594 1.819 -3.968) 4.405 3.812 ( -0.874 11.314 -3.167) 11.781 4.116 ( 0.454 12.454 1.806) 12.592 4.402 ( 2.319 12.127 6.372) 13.894 4.591 ( -0.801 21.620 0.362) 21.638 4.772 ( -1.606 14.013 -5.582) 15.169 5.344 ( -1.100 2.308 0.753) 2.665 5.791 ( 0.772 2.645 -0.108) 2.757 6.459 ( 2.395 -4.953 0.269) 5.508 6.938 ( -2.277 -17.015 2.496) 17.347 8.335 ( 0.764 14.412 2.507) 14.648 8.438 ( 0.128 -0.624 -3.135) 3.199 9.152 ( 1.050 3.962 -0.477) 4.127 9.945 ( -0.908 13.858 -0.155) 13.889 11.538 ( -8.205 0.735 9.504) 12.578 11.710 ( 7.666 3.107 -7.081) 10.889 12.044 ( -0.256 2.727 -2.198) 3.512 12.513 ( 0.317 7.731 0.163) 7.740 13.030 ( -0.569 3.504 -0.802) 3.639 14.252 ( -0.106 -6.391 -0.019) 6.392 14.289 ( -0.943 -2.814 0.821) 3.080 15.132 ( 4.019 12.827 -2.786) 13.727 16.116 ( -0.851 -7.445 0.435) 7.506 16.558 ( -1.868 -13.275 4.589) 14.169 18.152 ( -0.449 1.874 0.083) 1.928 18.479 ( 0.896 13.877 -5.036) 14.789 ======================= Grid point 827 (390/481) ======================= q-point: (-0.06 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -11.267 6.592 10.741) 16.905 2.350 ( 3.055 16.589 10.273) 19.750 2.699 ( 10.102 17.498 -1.539) 20.263 2.829 ( 3.743 20.555 -13.116) 24.669 3.318 ( -0.302 3.185 -1.915) 3.728 3.545 ( -1.245 15.772 -2.040) 15.952 3.865 ( -0.670 14.757 0.906) 14.800 4.089 ( 2.601 24.366 10.217) 26.550 4.321 ( -1.061 5.666 -4.794) 7.498 4.503 ( 0.667 10.612 -5.408) 11.929 5.301 ( -2.354 1.517 0.405) 2.830 5.799 ( 1.416 -2.397 0.584) 2.844 6.559 ( -3.825 -6.078 -0.813) 7.227 7.256 ( 0.462 -14.999 3.968) 15.522 7.945 ( 3.005 22.046 -2.745) 22.418 8.602 ( 0.528 -11.349 1.138) 11.418 9.068 ( 0.845 5.040 -0.834) 5.178 9.636 ( -0.195 18.441 0.690) 18.455 11.482 ( -7.617 2.513 7.041) 10.673 11.666 ( 4.854 2.415 -4.263) 6.897 12.095 ( -3.361 -7.969 -0.400) 8.658 12.438 ( 3.422 0.819 -1.275) 3.742 12.994 ( 0.907 0.648 -0.473) 1.211 14.190 ( -10.531 10.033 4.489) 15.221 14.370 ( 8.843 -1.854 -3.283) 9.613 14.951 ( 4.743 5.919 -5.111) 9.145 16.252 ( -0.541 -7.318 0.677) 7.369 16.843 ( -3.372 -16.415 5.934) 17.777 18.058 ( -6.570 12.474 -1.309) 14.159 18.164 ( 8.378 14.518 -4.505) 17.357 ======================= Grid point 832 (391/481) ======================= q-point: ( 0.19 0.19 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 18.272 0.000 -7.305) 19.678 1.959 ( 1.694 0.000 -13.643) 13.747 2.205 ( -1.179 -0.000 2.544) 2.804 2.591 ( 17.253 0.000 19.298) 25.886 2.909 ( 4.095 0.000 4.100) 5.795 3.052 ( -5.369 -0.000 -2.945) 6.124 3.174 ( 6.666 0.000 -7.244) 9.845 3.739 ( 8.035 0.000 3.488) 8.759 4.109 ( -9.185 -0.000 0.600) 9.205 4.374 ( 4.522 0.000 -5.497) 7.118 5.099 ( -6.880 -0.000 -0.310) 6.887 6.140 ( -5.400 -0.000 -1.552) 5.619 6.412 ( -6.837 -0.000 2.766) 7.375 6.731 ( -5.551 -0.000 0.060) 5.551 8.027 ( 2.066 0.000 -4.456) 4.912 8.769 ( -0.004 -0.000 -0.244) 0.244 8.806 ( 0.276 0.000 -12.546) 12.549 9.349 ( 7.011 0.000 -5.313) 8.796 11.426 ( -0.276 -0.000 0.915) 0.955 11.766 ( -7.334 -0.000 6.587) 9.858 12.006 ( -20.549 -0.000 5.631) 21.307 12.829 ( 3.749 0.000 -3.240) 4.955 12.947 ( -0.288 -0.000 0.377) 0.475 13.062 ( 0.873 0.000 -0.248) 0.908 14.660 ( 7.237 0.000 -12.767) 14.675 15.554 ( 12.426 0.000 -4.462) 13.202 16.447 ( -0.217 -0.000 -0.005) 0.218 16.771 ( 10.417 0.000 -0.590) 10.433 17.514 ( -3.375 -0.000 18.300) 18.609 17.945 ( 0.143 0.000 -0.016) 0.144 ======================= Grid point 833 (392/481) ======================= q-point: ( 0.25 0.19 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 12.994 -17.856 -8.213) 23.561 1.904 ( 5.333 -5.819 -7.137) 10.642 2.397 ( 1.176 -15.306 3.218) 15.685 2.743 ( 16.383 -1.264 13.167) 21.056 3.036 ( 3.591 -6.726 -1.149) 7.711 3.110 ( -1.031 -9.979 3.401) 10.593 3.251 ( -0.108 -8.224 -4.024) 9.156 3.819 ( 5.961 -3.787 -2.611) 7.529 4.073 ( -4.706 -0.837 0.200) 4.784 4.377 ( 4.364 0.230 -4.063) 5.967 5.065 ( -5.825 -0.439 2.206) 6.244 6.021 ( -9.927 4.552 -4.582) 11.843 6.381 ( -0.394 2.981 5.490) 6.259 6.863 ( -6.210 -15.233 1.423) 16.512 7.964 ( 1.603 5.308 -4.915) 7.410 8.757 ( -0.383 -0.122 -13.298) 13.304 8.884 ( -0.105 -9.674 -1.458) 9.784 9.327 ( 6.821 2.850 -4.293) 8.548 11.407 ( -0.786 1.398 -2.195) 2.718 11.689 ( -9.703 2.093 3.734) 10.605 11.917 ( -11.526 2.650 11.130) 16.240 12.770 ( 3.312 6.403 -3.939) 8.215 13.057 ( 3.320 -7.770 0.828) 8.491 13.224 ( -3.257 -17.001 2.757) 17.528 14.660 ( 2.742 -1.677 -13.289) 13.672 15.284 ( 7.445 24.599 -2.413) 25.814 16.623 ( 1.196 -3.681 -4.743) 6.121 16.870 ( 6.015 -7.701 -0.513) 9.785 17.481 ( -4.506 3.237 16.816) 17.708 18.085 ( 6.067 -11.606 3.312) 13.509 ======================= Grid point 834 (393/481) ======================= q-point: ( 0.31 0.19 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 6.958 -7.659 -2.912) 10.749 2.404 ( 9.793 -25.236 -9.512) 28.692 2.735 ( 4.461 -16.009 7.369) 18.180 2.945 ( 11.834 -7.438 4.355) 14.640 3.160 ( -0.240 -7.415 -0.498) 7.436 3.364 ( 1.640 -13.493 4.291) 14.253 3.478 ( -0.019 -15.403 3.617) 15.822 3.930 ( -1.535 -8.750 -6.861) 11.224 4.105 ( 3.184 -4.277 -4.253) 6.821 4.405 ( 0.631 -3.306 -4.075) 5.285 5.082 ( -2.728 -2.818 7.137) 8.144 5.872 ( -8.510 3.436 -4.957) 10.431 6.336 ( 1.979 4.288 6.220) 7.810 7.160 ( -6.442 -17.654 2.672) 18.981 7.854 ( 1.500 4.085 -5.887) 7.321 8.710 ( 0.108 0.403 -13.401) 13.407 8.974 ( 0.972 1.198 -4.922) 5.158 9.441 ( 4.761 -13.771 2.030) 14.711 11.376 ( -1.426 -0.357 -2.141) 2.597 11.651 ( -6.277 -2.305 1.503) 6.854 11.858 ( -6.320 1.799 12.300) 13.945 12.612 ( 0.013 9.741 -3.719) 10.427 13.231 ( 8.034 -6.240 1.541) 10.288 13.603 ( -4.910 -22.660 4.650) 23.647 14.676 ( -1.694 -4.617 -13.618) 14.479 14.866 ( 3.938 21.720 -1.494) 22.125 16.544 ( 2.828 8.716 -2.787) 9.578 16.844 ( -2.965 11.586 0.215) 11.961 17.641 ( -4.435 -16.007 8.422) 18.623 18.397 ( 10.813 -13.226 5.447) 17.931 ======================= Grid point 835 (394/481) ======================= q-point: ( 0.38 0.19 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 9.082 -13.300 -0.160) 16.106 2.810 ( 8.202 -15.866 -9.903) 20.422 3.068 ( 10.039 -11.772 8.041) 17.436 3.109 ( -0.070 -5.980 0.398) 5.994 3.356 ( 1.494 -11.513 2.666) 11.911 3.665 ( 3.039 -16.234 2.949) 16.777 3.766 ( 0.596 -12.307 3.171) 12.723 4.083 ( -6.912 -10.265 0.920) 12.409 4.281 ( 7.696 -14.214 -10.834) 19.458 4.484 ( -7.331 -9.657 -6.321) 13.673 5.189 ( 0.368 -5.682 11.095) 12.471 5.773 ( -5.420 0.900 -4.269) 6.957 6.286 ( 3.399 4.953 6.427) 8.798 7.332 ( -1.832 0.523 -1.089) 2.195 7.907 ( -2.500 -14.599 -2.329) 14.993 8.651 ( 4.594 2.984 -11.359) 12.611 8.915 ( -2.315 0.799 -4.120) 4.793 9.807 ( 3.919 -18.803 4.651) 19.763 11.397 ( -0.786 -2.355 1.155) 2.738 11.712 ( -2.970 -6.656 -1.273) 7.399 11.874 ( -2.382 -2.694 9.623) 10.273 12.409 ( -3.758 8.399 -3.009) 9.681 13.369 ( 9.859 -1.832 1.799) 10.188 13.992 ( -3.096 -18.707 3.254) 19.239 14.495 ( -1.569 16.673 -0.437) 16.752 14.756 ( -1.839 -8.208 -12.386) 14.973 16.338 ( 2.802 14.850 0.145) 15.113 16.576 ( -7.171 10.899 -0.053) 13.046 17.932 ( -2.238 -13.601 3.399) 14.197 18.695 ( 10.218 -9.675 4.608) 14.807 ======================= Grid point 836 (395/481) ======================= q-point: ( 0.44 0.19 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 8.335 -11.912 1.834) 14.654 3.034 ( 5.473 -7.382 -8.671) 12.634 3.203 ( 1.050 -4.940 3.549) 6.172 3.367 ( 6.982 -11.699 3.937) 14.182 3.568 ( 5.743 -8.218 0.740) 10.053 3.971 ( -1.437 -10.424 -0.624) 10.541 4.019 ( 5.717 -16.774 3.108) 17.992 4.238 ( -7.793 -11.288 0.128) 13.717 4.515 ( -3.167 -10.615 -6.092) 12.642 4.709 ( -5.845 -19.423 -4.827) 20.849 5.349 ( 1.060 -6.280 10.978) 12.691 5.753 ( -1.738 -2.396 -3.476) 4.565 6.239 ( 3.938 4.327 6.467) 8.720 7.175 ( -0.063 11.680 -5.002) 12.706 8.270 ( -4.432 -22.422 1.815) 22.928 8.591 ( 10.035 3.468 -7.928) 13.251 8.921 ( -5.723 -5.090 -2.402) 8.027 10.164 ( 4.070 -14.230 5.174) 15.679 11.441 ( -1.645 -1.376 5.955) 6.329 11.801 ( 2.241 -1.700 -5.785) 6.432 12.000 ( -0.028 -8.736 4.558) 9.854 12.320 ( -7.064 -5.906 -0.559) 9.225 13.424 ( 8.464 1.681 0.585) 8.649 14.113 ( -4.302 10.721 0.227) 11.554 14.359 ( 2.626 -8.012 1.195) 8.516 14.883 ( -4.197 -10.258 -8.584) 14.019 16.049 ( -0.759 15.353 1.638) 15.458 16.384 ( -5.281 6.129 -0.668) 8.118 18.130 ( -0.792 -7.587 1.449) 7.765 18.898 ( 8.389 -4.898 3.027) 10.175 ======================= Grid point 837 (396/481) ======================= q-point: ( 0.50 0.19 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 5.221 -5.779 2.772) 8.267 3.117 ( 0.177 -2.925 -3.290) 4.406 3.325 ( 4.471 -4.967 0.365) 6.693 3.595 ( 2.133 -8.638 -0.912) 8.944 3.759 ( 11.365 -7.207 1.486) 13.539 4.145 ( -1.091 -9.300 0.101) 9.364 4.348 ( 3.237 -14.060 0.869) 14.454 4.421 ( -5.814 -12.253 -1.910) 13.696 4.684 ( -6.053 -12.957 -0.052) 14.302 4.976 ( -7.254 -13.100 -3.603) 15.402 5.480 ( 0.917 -2.984 8.041) 8.626 5.818 ( 0.557 -5.864 -2.917) 6.573 6.226 ( 4.372 1.623 6.382) 7.904 6.914 ( -1.050 13.261 -5.109) 14.250 8.490 ( 4.830 -0.026 -1.655) 5.106 8.722 ( -1.331 -14.724 -0.307) 14.787 9.036 ( -1.257 -11.146 -0.439) 11.226 10.396 ( 3.593 -6.044 4.113) 8.146 11.458 ( -4.140 0.544 8.778) 9.721 11.760 ( 4.537 2.835 -8.887) 10.373 12.228 ( -0.044 -14.194 2.312) 14.381 12.528 ( -3.968 -16.338 -0.214) 16.814 13.429 ( 5.186 1.325 -0.688) 5.396 13.845 ( -4.142 13.098 0.673) 13.754 14.529 ( 6.216 -5.222 0.005) 8.118 15.005 ( -5.839 -7.564 -4.477) 10.552 15.811 ( -2.402 8.891 1.079) 9.272 16.265 ( -3.317 4.074 -0.179) 5.257 18.222 ( -0.431 -2.481 0.474) 2.563 19.001 ( 6.547 -0.735 1.730) 6.811 ======================= Grid point 838 (397/481) ======================= q-point: ( 0.56 0.19 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 1.618 -0.674 1.761) 2.484 3.149 ( -0.929 -1.706 -0.699) 2.065 3.422 ( 3.171 -2.541 0.694) 4.122 3.713 ( 1.796 -4.332 -4.492) 6.494 3.969 ( 10.469 -6.973 2.153) 12.762 4.299 ( -1.268 -7.451 -0.633) 7.584 4.538 ( -0.731 -5.873 -0.261) 5.924 4.647 ( -3.011 -14.564 2.733) 15.121 4.932 ( -0.972 -14.415 -1.143) 14.492 5.084 ( -9.120 -5.367 -2.463) 10.865 5.511 ( 0.967 2.261 4.164) 4.836 5.945 ( 0.990 -7.476 -1.929) 7.784 6.266 ( 4.217 -0.669 4.605) 6.280 6.656 ( -1.890 11.332 -2.982) 11.869 8.503 ( 8.190 1.428 -0.830) 8.354 8.878 ( -9.855 -5.709 0.638) 11.407 9.338 ( 4.726 -17.696 1.331) 18.364 10.447 ( 2.023 3.467 2.003) 4.486 11.440 ( -5.290 0.587 7.547) 9.235 11.739 ( 5.606 0.046 -7.320) 9.220 12.524 ( -0.086 -16.194 1.377) 16.252 12.792 ( -1.160 -12.761 -0.980) 12.851 13.444 ( 2.624 -0.566 -1.091) 2.897 13.597 ( -3.535 11.094 1.124) 11.697 14.622 ( 6.870 -0.797 -0.327) 6.923 15.057 ( -6.237 -3.296 -1.551) 7.223 15.708 ( -1.950 1.176 0.015) 2.278 16.187 ( -1.806 2.716 0.216) 3.269 18.233 ( -0.669 0.705 0.002) 0.971 19.022 ( 4.641 2.186 0.873) 5.204 ======================= Grid point 839 (398/481) ======================= q-point: ( 0.62 0.19 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -0.761 1.449 0.450) 1.697 3.172 ( -0.577 -1.395 0.007) 1.510 3.458 ( 0.877 0.436 2.402) 2.594 3.757 ( 2.042 -1.081 -6.263) 6.676 4.131 ( 7.845 -3.358 2.569) 8.912 4.388 ( -1.868 -3.103 -1.500) 3.920 4.621 ( -0.454 -3.304 3.244) 4.653 4.902 ( -1.964 -12.412 4.038) 13.200 5.037 ( -6.052 -0.154 -7.373) 9.540 5.209 ( -0.429 -11.397 1.351) 11.484 5.450 ( 0.748 4.937 0.958) 5.085 6.071 ( 0.871 -5.413 -0.904) 5.557 6.292 ( 1.700 2.060 0.443) 2.708 6.480 ( -0.579 5.309 0.711) 5.388 8.522 ( 8.287 2.146 0.270) 8.565 8.876 ( -10.165 -1.420 0.370) 10.270 9.694 ( 4.276 -16.191 1.391) 16.804 10.313 ( 0.015 11.291 -0.100) 11.291 11.443 ( -4.532 -1.339 6.802) 8.283 11.744 ( 5.183 0.925 -6.151) 8.097 12.818 ( -0.159 -14.021 0.611) 14.036 12.987 ( 0.113 -8.813 -0.878) 8.858 13.391 ( -1.389 7.567 1.041) 7.764 13.461 ( 0.930 1.851 -0.728) 2.196 14.615 ( 1.919 5.096 -0.185) 5.448 15.100 ( -2.177 -5.650 -0.356) 6.066 15.719 ( -0.981 -2.584 -0.308) 2.781 16.140 ( -0.821 1.599 0.261) 1.816 18.201 ( -1.027 1.714 -0.144) 2.003 18.988 ( 2.752 3.627 0.348) 4.566 ======================= Grid point 840 (399/481) ======================= q-point: (-0.31 0.19 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -1.355 1.916 -0.034) 2.347 3.194 ( -0.219 -1.066 0.395) 1.157 3.434 ( -0.660 3.162 3.345) 4.650 3.735 ( 1.174 2.107 -6.935) 7.343 4.190 ( 5.748 2.300 2.867) 6.822 4.376 ( -1.754 2.692 -2.173) 3.879 4.672 ( -0.225 -0.311 5.215) 5.229 4.946 ( -3.999 3.654 -7.285) 9.078 5.094 ( -1.948 -7.358 3.194) 8.255 5.327 ( -0.339 2.469 3.595) 4.374 5.445 ( 2.309 -7.575 -2.954) 8.452 6.138 ( 0.457 -1.127 0.116) 1.222 6.215 ( -0.490 4.741 -0.307) 4.776 6.443 ( 0.528 0.602 -0.061) 0.803 8.490 ( 5.217 6.046 0.675) 8.014 8.867 ( -6.978 -3.788 -0.309) 7.946 9.933 ( 6.228 2.679 0.396) 6.792 10.095 ( -4.298 1.919 -1.081) 4.829 11.473 ( -4.143 -1.656 7.877) 9.053 11.722 ( 4.609 1.931 -6.881) 8.504 12.995 ( -0.096 -3.025 0.102) 3.028 13.071 ( 0.354 2.572 -0.145) 2.600 13.314 ( -0.894 -1.197 1.520) 2.132 13.456 ( 1.868 -3.554 -1.291) 4.218 14.457 ( -2.208 10.706 0.036) 10.931 15.240 ( 1.306 -8.666 -0.237) 8.767 15.770 ( -0.124 -2.937 -0.166) 2.944 16.121 ( -0.578 0.068 0.327) 0.667 18.167 ( -1.160 1.004 -0.126) 1.539 18.929 ( 1.208 3.814 -0.051) 4.001 ======================= Grid point 841 (400/481) ======================= q-point: (-0.25 0.19 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( -1.084 2.470 0.066) 2.698 3.204 ( -0.233 0.786 1.758) 1.940 3.361 ( -1.251 4.812 3.020) 5.817 3.650 ( 1.026 4.999 -7.034) 8.690 4.125 ( 4.659 9.589 3.103) 11.103 4.262 ( -2.195 6.323 -3.710) 7.653 4.640 ( -1.800 5.283 5.006) 7.497 4.830 ( 0.182 4.398 -5.719) 7.217 5.160 ( -1.753 -0.151 0.658) 1.879 5.286 ( -0.658 2.050 2.803) 3.535 5.578 ( 2.130 -2.833 -0.452) 3.573 6.119 ( 0.610 2.344 1.133) 2.674 6.164 ( 0.934 0.261 0.538) 1.109 6.428 ( -1.938 0.150 -2.467) 3.141 8.384 ( 1.424 6.358 0.525) 6.537 8.926 ( -2.505 -4.674 -0.834) 5.368 9.657 ( 1.572 18.965 -1.279) 19.073 10.204 ( -1.033 -5.884 -0.434) 5.990 11.503 ( -4.576 -1.127 9.317) 10.442 11.695 ( 4.788 0.700 -8.238) 9.554 12.876 ( 0.600 15.793 -0.156) 15.805 12.962 ( -0.304 4.844 0.321) 4.864 13.381 ( -0.306 -2.404 0.847) 2.567 13.623 ( 1.538 -11.725 -0.761) 11.850 14.238 ( -2.337 9.496 0.099) 9.780 15.395 ( 1.827 -6.081 -0.522) 6.371 15.821 ( 0.292 -2.542 -0.023) 2.559 16.138 ( -0.907 -2.311 0.879) 2.633 18.154 ( -0.827 -0.249 -0.071) 0.867 18.863 ( 0.360 3.659 -0.558) 3.719 ======================= Grid point 842 (401/481) ======================= q-point: (-0.19 0.19 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -0.935 3.929 0.474) 4.066 3.129 ( -0.631 9.048 5.862) 10.799 3.300 ( -0.670 0.850 -0.076) 1.085 3.522 ( 2.519 7.149 -6.794) 10.179 3.885 ( 1.820 17.921 0.114) 18.014 4.125 ( -1.307 6.224 -2.532) 6.846 4.504 ( -1.183 8.737 2.168) 9.079 4.739 ( 1.885 5.629 -1.256) 6.068 5.100 ( -1.312 5.102 -0.522) 5.294 5.230 ( -0.727 5.974 2.023) 6.349 5.524 ( -0.069 7.448 0.273) 7.453 6.035 ( 0.415 6.955 -0.475) 6.983 6.295 ( 7.005 -9.482 4.721) 12.699 6.410 ( -6.952 -3.185 -4.544) 8.895 8.304 ( 0.031 2.358 0.554) 2.422 8.953 ( 0.228 3.184 -1.474) 3.516 9.336 ( 0.151 13.313 -0.949) 13.348 10.239 ( -0.462 1.523 -0.444) 1.652 11.520 ( -5.053 -0.471 8.914) 10.258 11.706 ( 5.035 -1.561 -8.008) 9.587 12.543 ( -0.080 18.718 -0.202) 18.719 12.850 ( -0.027 7.157 -0.054) 7.157 13.327 ( -0.052 8.310 0.474) 8.323 13.859 ( -0.349 -12.555 -0.155) 12.561 14.142 ( 0.337 -0.530 -0.006) 0.628 15.453 ( 1.441 1.278 -1.204) 2.272 15.880 ( -0.345 -4.168 0.228) 4.188 16.208 ( -1.257 -5.528 1.876) 5.971 18.162 ( -0.076 -0.727 -0.009) 0.731 18.787 ( 0.389 4.574 -1.304) 4.772 ======================= Grid point 843 (402/481) ======================= q-point: (-0.12 0.19 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -1.707 5.792 1.810) 6.304 2.927 ( 1.235 13.979 6.872) 15.626 3.288 ( -0.785 1.593 -0.642) 1.888 3.369 ( 4.880 9.198 -6.124) 12.080 3.521 ( 0.724 19.492 -3.000) 19.735 3.980 ( -0.860 8.262 -1.133) 8.384 4.329 ( -0.256 10.140 1.076) 10.200 4.609 ( 1.071 9.040 0.099) 9.104 4.960 ( 0.124 9.875 0.740) 9.903 5.009 ( -0.805 17.317 0.079) 17.336 5.401 ( -1.132 4.576 1.123) 4.846 5.891 ( 0.132 7.302 -0.905) 7.359 6.389 ( -3.249 -2.218 -1.742) 4.302 6.626 ( 3.665 -16.938 2.590) 17.522 8.311 ( -0.076 -2.981 0.954) 3.131 8.735 ( 0.925 17.810 -1.947) 17.940 9.206 ( -0.444 2.503 -0.762) 2.654 10.147 ( 0.180 7.967 0.109) 7.970 11.525 ( -6.414 -0.332 8.704) 10.817 11.741 ( 6.017 -1.198 -8.075) 10.141 12.215 ( -0.591 14.916 -0.156) 14.928 12.687 ( -0.559 9.848 -0.133) 9.864 13.148 ( 1.177 8.955 0.157) 9.033 14.074 ( -2.216 -11.120 0.235) 11.341 14.218 ( 2.424 -4.750 -0.038) 5.333 15.353 ( 1.337 9.043 -2.573) 9.496 15.977 ( -1.894 -6.487 0.693) 6.793 16.348 ( -1.499 -9.381 2.941) 9.945 18.171 ( 0.504 0.228 0.116) 0.565 18.674 ( 1.423 7.833 -2.178) 8.254 ======================= Grid point 844 (403/481) ======================= q-point: (-0.06 0.19 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -5.671 8.268 4.413) 10.954 2.701 ( 6.280 14.226 7.161) 17.120 3.064 ( 2.839 19.127 -5.283) 20.045 3.169 ( 6.696 13.898 -5.704) 16.448 3.340 ( 0.026 1.601 -0.363) 1.642 3.788 ( -1.169 11.643 -0.040) 11.701 4.118 ( -1.123 12.531 0.088) 12.582 4.433 ( -0.951 8.976 -0.559) 9.044 4.605 ( 1.929 24.481 1.428) 24.599 4.744 ( 0.951 13.846 -0.284) 13.882 5.328 ( -2.931 2.953 1.318) 4.364 5.800 ( 1.293 1.893 -0.773) 2.419 6.417 ( -7.377 -4.730 -2.241) 9.045 6.986 ( 6.129 -16.719 3.021) 18.061 8.353 ( 0.326 19.576 0.643) 19.589 8.427 ( 1.062 -6.351 -1.828) 6.694 9.148 ( -0.726 3.633 -1.395) 3.959 9.946 ( 0.719 13.883 0.960) 13.935 11.503 ( -8.235 1.483 8.823) 12.159 11.746 ( 6.832 2.706 -7.306) 10.362 12.024 ( -1.683 3.507 -0.506) 3.923 12.513 ( -0.353 6.753 -0.277) 6.768 13.044 ( 3.237 3.760 0.355) 4.975 14.246 ( -1.048 -5.250 0.079) 5.354 14.287 ( -0.702 -3.116 1.209) 3.416 15.145 ( 2.848 11.880 -5.350) 13.337 16.102 ( -2.329 -7.906 1.170) 8.325 16.559 ( -2.787 -13.162 3.625) 13.934 18.146 ( -0.758 3.041 0.390) 3.158 18.485 ( 4.467 13.367 -2.584) 14.329 ======================= Grid point 849 (404/481) ======================= q-point: ( 0.25 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 16.995 0.000 -10.281) 19.863 1.946 ( 8.180 0.000 -7.080) 10.818 2.243 ( 2.927 0.000 6.154) 6.815 2.905 ( 15.396 0.000 15.672) 21.969 2.944 ( -4.826 -0.000 -4.171) 6.379 2.991 ( 0.804 0.000 3.999) 4.079 3.182 ( 2.514 0.000 -4.346) 5.021 3.792 ( -2.292 -0.000 -2.505) 3.396 4.061 ( 3.676 0.000 -2.016) 4.193 4.391 ( 4.012 0.000 -6.027) 7.240 5.046 ( -3.446 -0.000 5.456) 6.453 5.970 ( -14.650 -0.000 -5.995) 15.829 6.467 ( 5.062 0.000 8.645) 10.018 6.663 ( -6.181 -0.000 0.099) 6.182 8.007 ( -0.241 -0.000 -4.050) 4.057 8.709 ( -0.505 -0.000 -15.897) 15.905 8.767 ( -0.018 -0.000 -0.301) 0.302 9.382 ( 5.392 0.000 -7.075) 8.896 11.404 ( -2.936 -0.000 -4.747) 5.582 11.637 ( -12.714 -0.000 1.291) 12.779 11.964 ( -5.245 -0.000 18.440) 19.172 12.844 ( 2.000 0.000 -3.363) 3.913 12.946 ( -0.294 -0.000 0.434) 0.525 13.071 ( 0.928 0.000 -0.281) 0.969 14.616 ( 0.992 0.000 -12.517) 12.556 15.633 ( 6.836 0.000 -4.968) 8.451 16.444 ( -0.247 -0.000 -0.019) 0.248 16.871 ( 7.006 0.000 -0.784) 7.049 17.645 ( 3.815 0.000 19.122) 19.498 17.947 ( 0.165 0.000 -0.004) 0.165 ======================= Grid point 850 (405/481) ======================= q-point: ( 0.31 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 13.139 -2.328 -4.322) 14.026 1.960 ( 10.450 -18.911 -8.034) 23.052 2.469 ( 5.441 -15.536 6.028) 17.530 2.965 ( 5.920 -2.146 4.451) 7.711 3.001 ( -1.236 -6.843 -0.352) 6.963 3.155 ( -0.349 -9.121 2.963) 9.597 3.264 ( 5.058 -8.824 4.914) 11.296 3.776 ( -7.661 -3.047 -3.734) 9.051 4.086 ( 7.744 -0.182 -6.327) 10.002 4.378 ( 2.111 0.585 -8.696) 8.967 5.072 ( 0.848 -0.923 11.114) 11.185 5.844 ( -12.533 2.070 -5.669) 13.910 6.461 ( 4.444 4.304 7.715) 9.889 6.803 ( -5.991 -15.014 2.018) 16.290 7.940 ( 0.131 4.931 -4.804) 6.885 8.651 ( -1.240 -0.330 -15.661) 15.714 8.872 ( -0.181 -8.926 -1.692) 9.087 9.363 ( 5.016 0.625 -5.766) 7.668 11.348 ( -6.388 0.322 -4.335) 7.726 11.592 ( -4.573 -0.294 0.307) 4.593 11.946 ( -4.447 4.476 18.347) 19.401 12.763 ( -0.266 7.056 -3.187) 7.747 13.099 ( 2.876 -11.713 0.529) 12.073 13.212 ( -1.752 -15.112 2.009) 15.345 14.580 ( -0.595 -0.545 -12.975) 13.000 15.337 ( 4.699 24.973 -2.661) 25.551 16.576 ( -3.051 -4.545 -3.880) 6.710 16.964 ( 9.043 -4.371 0.126) 10.045 17.527 ( -4.631 8.422 12.476) 15.749 18.195 ( 7.218 -16.217 5.795) 18.672 ======================= Grid point 851 (406/481) ======================= q-point: ( 0.38 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 14.216 -7.404 0.122) 16.029 2.442 ( 7.494 -24.150 -8.122) 26.559 2.837 ( 5.204 -16.682 4.562) 18.061 3.079 ( 6.219 -2.699 4.494) 8.134 3.140 ( -2.635 -11.136 0.707) 11.465 3.387 ( -0.087 -15.445 2.062) 15.583 3.551 ( 3.719 -13.743 8.409) 16.535 3.826 ( -8.801 -9.941 -3.844) 13.822 4.121 ( 5.488 -3.289 -10.080) 11.939 4.344 ( -0.991 -0.649 -11.617) 11.677 5.165 ( 3.863 -2.647 15.048) 15.760 5.735 ( -8.483 0.882 -4.603) 9.692 6.430 ( 5.143 4.933 7.636) 10.445 7.102 ( -6.327 -18.458 2.094) 19.624 7.823 ( 0.262 4.480 -6.011) 7.502 8.611 ( -1.249 -1.638 -13.935) 14.087 8.946 ( 0.572 1.195 -6.099) 6.242 9.507 ( 4.356 -14.871 1.539) 15.572 11.328 ( -4.345 -3.195 -2.663) 6.015 11.599 ( -1.507 -2.528 0.195) 2.949 11.904 ( -3.711 2.762 15.290) 15.974 12.575 ( -2.257 10.797 -3.142) 11.469 13.328 ( 6.805 -8.900 1.188) 11.266 13.584 ( -3.379 -22.685 3.771) 23.243 14.554 ( -3.294 -2.734 -13.088) 13.770 14.895 ( 2.822 22.313 -1.888) 22.570 16.521 ( -2.519 4.978 -3.257) 6.460 16.859 ( 3.470 18.713 1.572) 19.097 17.636 ( -4.577 -16.196 6.271) 17.961 18.552 ( 8.914 -13.731 5.926) 17.410 ======================= Grid point 852 (407/481) ======================= q-point: ( 0.44 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 14.488 -11.750 2.122) 18.774 2.838 ( 6.504 -15.541 -7.029) 18.255 3.089 ( -3.685 -8.482 2.080) 9.479 3.232 ( 8.384 -8.009 5.929) 13.023 3.387 ( 1.876 -13.840 2.384) 14.168 3.702 ( 1.739 -15.970 -0.431) 16.071 3.807 ( 1.658 -11.201 3.464) 11.841 4.003 ( -7.633 -10.802 1.447) 13.306 4.278 ( -1.536 -17.545 -9.011) 19.783 4.337 ( -2.646 -4.466 -11.009) 12.171 5.302 ( 3.377 -4.107 14.466) 15.413 5.691 ( -3.477 -1.442 -3.320) 5.019 6.384 ( 4.867 5.599 7.586) 10.611 7.292 ( -2.548 -0.238 -3.358) 4.222 7.861 ( -2.721 -14.710 -1.784) 15.065 8.611 ( 1.815 -2.743 -11.632) 12.089 8.868 ( -0.842 3.250 -4.510) 5.622 9.885 ( 3.931 -19.268 4.685) 20.215 11.393 ( -0.776 -5.051 -0.021) 5.110 11.679 ( -0.879 -6.743 0.053) 6.800 11.920 ( -2.072 -2.226 10.271) 10.712 12.338 ( -4.617 10.003 -3.100) 11.445 13.487 ( 8.448 -2.156 1.513) 8.849 13.981 ( -2.273 -18.693 2.748) 19.030 14.462 ( -2.441 12.439 -2.449) 12.911 14.659 ( -1.587 -4.197 -10.007) 10.967 16.361 ( 1.332 12.512 -0.904) 12.615 16.507 ( -4.794 14.715 0.855) 15.500 17.931 ( -1.555 -13.785 2.866) 14.165 18.831 ( 7.873 -8.894 4.278) 12.625 ======================= Grid point 853 (408/481) ======================= q-point: ( 0.50 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 11.132 -8.989 3.860) 14.820 3.031 ( 1.974 -5.610 -5.047) 7.800 3.239 ( 1.567 -7.652 2.599) 8.232 3.440 ( 2.052 -8.962 2.093) 9.429 3.661 ( 8.452 -11.020 1.749) 13.998 3.936 ( -0.272 -10.664 -4.078) 11.421 4.099 ( -2.311 -16.836 0.092) 16.994 4.148 ( -1.391 -10.077 0.965) 10.218 4.422 ( -5.942 -10.384 -4.679) 12.846 4.616 ( -5.189 -19.511 -3.485) 20.488 5.442 ( 1.448 -4.444 11.613) 12.518 5.722 ( 0.419 -3.633 -3.166) 4.837 6.338 ( 4.513 4.627 8.018) 10.299 7.123 ( -1.772 11.587 -7.369) 13.845 8.233 ( -3.819 -22.108 1.614) 22.493 8.651 ( 9.872 -1.239 -8.712) 13.225 8.838 ( -6.337 -4.884 -1.147) 8.083 10.245 ( 3.683 -14.046 5.051) 15.374 11.468 ( -0.432 -1.611 5.560) 5.805 11.787 ( 1.421 -1.988 -4.486) 5.108 12.033 ( 0.773 -7.126 3.916) 8.167 12.232 ( -7.075 -7.500 -0.735) 10.337 13.516 ( 6.807 3.381 0.143) 7.602 14.066 ( -3.907 10.877 0.308) 11.562 14.402 ( 3.478 -9.823 1.093) 10.477 14.777 ( -4.506 -10.794 -7.741) 14.026 16.054 ( -0.187 17.137 1.275) 17.186 16.322 ( -4.560 4.854 -0.772) 6.705 18.132 ( -0.515 -7.482 1.289) 7.610 19.004 ( 6.329 -4.000 2.603) 7.927 ======================= Grid point 854 (409/481) ======================= q-point: ( 0.56 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 5.308 -2.292 3.528) 6.773 3.096 ( -1.078 -3.006 -1.405) 3.489 3.377 ( 3.664 -4.679 0.564) 5.970 3.603 ( 1.034 -7.301 -1.611) 7.548 3.899 ( 10.729 -8.026 0.516) 13.409 4.113 ( -2.297 -10.221 -2.592) 10.792 4.335 ( -6.368 -15.417 -0.882) 16.703 4.395 ( 2.618 -10.527 0.772) 10.875 4.637 ( -1.944 -15.519 -0.007) 15.641 4.867 ( -7.858 -11.900 -1.886) 14.384 5.542 ( 0.565 -1.507 7.999) 8.159 5.807 ( 1.189 -6.308 -3.532) 7.326 6.328 ( 4.655 2.199 8.050) 9.556 6.852 ( -2.644 12.533 -6.953) 14.574 8.516 ( 1.097 -7.522 -1.027) 7.670 8.713 ( 0.509 -4.031 -1.058) 4.198 9.027 ( 0.142 -17.156 -0.365) 17.160 10.460 ( 2.747 -4.942 3.625) 6.717 11.474 ( -3.435 2.377 9.065) 9.981 11.749 ( 3.588 1.471 -8.691) 9.517 12.244 ( 0.123 -13.731 2.111) 13.892 12.484 ( -3.009 -18.007 -0.456) 18.262 13.476 ( 3.709 3.003 -0.872) 4.852 13.808 ( -2.998 12.886 0.645) 13.246 14.601 ( 6.068 -6.353 0.328) 8.791 14.910 ( -5.758 -7.926 -3.882) 10.538 15.795 ( -1.277 9.661 0.665) 9.768 16.227 ( -2.829 3.013 -0.166) 4.136 18.220 ( -0.360 -2.200 0.410) 2.266 19.077 ( 4.601 0.105 1.366) 4.800 ======================= Grid point 855 (410/481) ======================= q-point: ( 0.62 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 0.667 1.630 1.461) 2.288 3.134 ( -1.218 -2.150 0.142) 2.475 3.459 ( 1.303 -1.954 2.017) 3.096 3.708 ( 2.782 -3.798 -4.985) 6.857 4.093 ( 8.756 -6.436 0.827) 10.898 4.261 ( -3.475 -7.798 -1.736) 8.712 4.541 ( -0.063 -6.832 3.054) 7.484 4.635 ( -1.315 -15.585 1.613) 15.723 4.902 ( -2.148 -10.203 -6.779) 12.437 4.989 ( -4.991 -9.375 2.728) 10.966 5.547 ( 0.664 3.308 3.735) 5.033 5.942 ( 0.642 -7.875 -2.002) 8.151 6.347 ( 3.869 1.620 5.256) 6.724 6.606 ( -2.697 9.315 -3.958) 10.475 8.593 ( 8.327 -0.106 -1.058) 8.395 8.771 ( -9.268 -4.027 0.826) 10.139 9.391 ( 2.952 -18.736 0.924) 18.990 10.478 ( 1.244 4.993 1.451) 5.347 11.433 ( -4.395 1.250 7.124) 8.464 11.752 ( 4.435 -0.958 -6.602) 8.011 12.533 ( 0.022 -15.856 1.259) 15.906 12.774 ( -0.790 -13.567 -0.944) 13.623 13.464 ( 1.705 -0.157 -0.963) 1.964 13.570 ( -2.170 10.998 0.931) 11.249 14.692 ( 5.109 0.596 -0.176) 5.147 14.983 ( -4.730 -5.015 -1.216) 7.000 15.691 ( -0.869 1.237 -0.161) 1.520 16.170 ( -1.474 1.978 0.300) 2.484 18.226 ( -0.451 1.003 -0.007) 1.100 19.070 ( 2.777 2.942 0.598) 4.090 ======================= Grid point 856 (411/481) ======================= q-point: ( 0.69 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -0.974 2.211 0.439) 2.456 3.166 ( -0.717 -1.729 0.515) 1.941 3.479 ( -0.582 0.790 3.043) 3.197 3.742 ( 2.497 -0.206 -6.181) 6.670 4.230 ( 6.306 -2.405 1.724) 6.965 4.346 ( -3.319 -3.868 -1.874) 5.430 4.656 ( 1.618 -3.617 5.242) 6.571 4.908 ( -0.816 -12.455 2.677) 12.766 4.918 ( -6.139 -0.896 -6.080) 8.687 5.218 ( 1.358 -12.027 -0.443) 12.112 5.464 ( 0.623 6.053 0.898) 6.151 6.072 ( 0.088 -5.734 -0.722) 5.780 6.307 ( 0.706 5.115 0.102) 5.164 6.480 ( -0.320 2.839 0.753) 2.955 8.621 ( 7.421 3.176 0.349) 8.079 8.766 ( -8.065 -2.338 0.089) 8.397 9.739 ( 1.964 -16.399 0.921) 16.542 10.311 ( -0.068 12.919 -0.237) 12.921 11.438 ( -3.919 -1.681 6.499) 7.773 11.758 ( 4.003 1.035 -5.795) 7.118 12.820 ( -0.019 -13.695 0.491) 13.704 12.982 ( -0.042 -9.401 -0.633) 9.423 13.385 ( -0.791 7.611 0.989) 7.715 13.465 ( 0.553 1.273 -0.717) 1.562 14.628 ( 0.692 7.534 -0.195) 7.569 15.081 ( -0.644 -7.851 -0.264) 7.881 15.710 ( -0.325 -2.839 -0.281) 2.871 16.134 ( -0.628 1.325 0.353) 1.508 18.192 ( -0.407 1.948 -0.117) 1.993 19.013 ( 1.167 4.227 0.170) 4.388 ======================= Grid point 857 (412/481) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -0.847 1.953 0.390) 2.164 3.193 ( -0.388 -1.329 0.579) 1.501 3.446 ( -1.227 3.270 3.374) 4.856 3.709 ( 1.842 2.759 -6.020) 6.873 4.258 ( 2.822 2.370 1.322) 3.915 4.342 ( -1.389 2.843 -1.810) 3.645 4.718 ( 1.586 0.658 6.379) 6.606 4.855 ( -3.468 1.816 -6.321) 7.435 5.095 ( -0.892 -6.492 2.441) 6.992 5.348 ( 1.108 3.511 1.409) 3.943 5.449 ( 1.250 -9.257 -2.433) 9.653 6.139 ( -0.547 -1.391 0.421) 1.553 6.210 ( 0.144 4.393 -0.460) 4.419 6.445 ( -0.167 1.868 0.120) 1.880 8.530 ( -0.060 7.667 0.573) 7.689 8.819 ( 0.180 -5.094 -0.393) 5.112 10.005 ( 4.898 9.841 0.465) 11.003 10.031 ( -4.774 -4.361 -0.994) 6.542 11.476 ( -4.131 -2.029 7.582) 8.870 11.726 ( 3.938 2.226 -6.788) 8.157 12.995 ( -0.010 -3.199 0.076) 3.200 13.073 ( 0.143 2.545 -0.181) 2.555 13.316 ( -0.187 -1.340 1.144) 1.772 13.460 ( -0.210 -3.843 -0.774) 3.926 14.444 ( 0.224 11.521 -0.096) 11.523 15.248 ( 0.212 -9.296 -0.275) 9.303 15.768 ( -0.097 -3.195 -0.059) 3.197 16.118 ( -0.363 0.073 0.416) 0.557 18.159 ( -0.002 1.125 -0.085) 1.128 18.936 ( 0.169 4.186 -0.127) 4.191 ======================= Grid point 858 (413/481) ======================= q-point: (-0.19 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -0.431 2.465 0.637) 2.582 3.210 ( -0.217 -0.072 0.947) 0.974 3.369 ( -0.864 5.248 3.210) 6.212 3.627 ( 2.421 5.018 -5.695) 7.967 4.184 ( 1.719 11.757 1.203) 11.942 4.211 ( -1.697 4.726 -2.543) 5.628 4.663 ( -0.053 7.338 4.611) 8.667 4.799 ( 0.492 1.361 -4.439) 4.669 5.151 ( -0.904 0.545 1.501) 1.835 5.303 ( 1.255 2.374 1.126) 2.912 5.583 ( -0.367 -2.695 -0.944) 2.878 6.127 ( -0.555 2.533 0.456) 2.633 6.174 ( 0.761 -2.109 -0.382) 2.275 6.403 ( -0.462 1.994 -0.242) 2.061 8.387 ( -1.432 6.358 0.258) 6.522 8.923 ( 2.795 -4.523 -0.547) 5.345 9.652 ( -1.268 19.176 -0.789) 19.234 10.199 ( 0.439 -5.765 0.026) 5.781 11.509 ( -5.048 -1.154 9.022) 10.402 11.694 ( 4.541 0.665 -8.345) 9.524 12.876 ( -0.518 15.817 -0.120) 15.826 12.964 ( 0.433 4.927 0.115) 4.947 13.385 ( 0.150 -2.323 0.516) 2.385 13.617 ( -2.081 -11.847 -0.169) 12.029 14.241 ( 2.785 9.457 -0.146) 9.860 15.398 ( -0.672 -6.268 -0.762) 6.349 15.820 ( -0.477 -2.556 0.071) 2.601 16.137 ( -0.453 -2.267 1.031) 2.532 18.153 ( 0.783 -0.243 -0.017) 0.820 18.862 ( 0.080 3.786 -0.478) 3.817 ======================= Grid point 859 (414/481) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -0.223 4.037 1.186) 4.214 3.163 ( 1.329 7.309 2.952) 7.994 3.294 ( -0.885 1.828 1.181) 2.349 3.517 ( 3.966 6.682 -5.910) 9.763 3.887 ( -0.498 18.215 -2.008) 18.332 4.111 ( 0.166 6.260 0.719) 6.304 4.515 ( 0.460 9.304 2.140) 9.558 4.742 ( 0.752 4.725 -2.594) 5.443 5.090 ( -0.898 5.383 1.382) 5.630 5.247 ( 1.655 6.441 1.463) 6.809 5.514 ( -1.784 7.128 0.060) 7.348 6.026 ( -1.348 6.939 -0.580) 7.093 6.280 ( -6.375 -5.878 -4.797) 9.910 6.435 ( 7.898 -6.930 4.788) 11.547 8.301 ( -0.810 1.885 0.166) 2.059 8.969 ( 3.782 3.965 -0.765) 5.533 9.315 ( -2.808 13.089 -0.501) 13.396 10.242 ( 1.120 1.565 0.363) 1.958 11.518 ( -5.513 -0.006 8.701) 10.301 11.707 ( 4.597 -2.021 -8.370) 9.761 12.538 ( -0.658 18.716 0.040) 18.728 12.848 ( -0.179 7.555 0.014) 7.557 13.334 ( 0.858 7.936 0.217) 7.985 13.832 ( -4.018 -12.529 0.265) 13.160 14.180 ( 5.762 -0.454 -0.319) 5.788 15.442 ( -1.481 0.934 -1.992) 2.652 15.869 ( -1.948 -3.754 0.452) 4.254 16.211 ( -0.655 -5.548 2.037) 5.946 18.171 ( 1.565 -0.685 0.081) 1.710 18.788 ( 1.019 4.462 -0.885) 4.662 ======================= Grid point 860 (415/481) ======================= q-point: (-0.06 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -0.866 6.690 2.412) 7.164 3.000 ( 5.352 11.930 3.181) 13.456 3.271 ( -1.871 1.786 0.351) 2.610 3.369 ( 4.256 10.348 -8.651) 14.143 3.539 ( 3.155 16.792 0.152) 17.087 3.976 ( -0.222 8.777 1.933) 8.990 4.334 ( 0.068 11.036 0.968) 11.079 4.598 ( -1.001 9.256 -3.089) 9.809 4.950 ( -1.504 10.098 -0.560) 10.225 5.044 ( 3.471 16.780 4.019) 17.600 5.389 ( -2.147 4.636 0.992) 5.205 5.880 ( -0.682 6.478 -1.021) 6.593 6.287 ( -8.342 -3.188 -3.751) 9.686 6.737 ( 9.068 -15.344 3.512) 18.166 8.316 ( 0.557 -3.597 0.130) 3.642 8.740 ( 1.367 19.112 -0.745) 19.175 9.185 ( -2.093 2.059 -0.995) 3.100 10.163 ( 1.764 7.995 1.194) 8.274 11.505 ( -6.768 0.678 8.433) 10.835 11.753 ( 5.573 -2.346 -8.608) 10.520 12.208 ( -0.879 15.215 0.652) 15.254 12.675 ( -1.578 10.191 0.112) 10.313 13.178 ( 3.652 8.038 0.308) 8.834 14.039 ( -3.913 -12.024 0.387) 12.651 14.261 ( 4.745 -2.966 -0.203) 5.599 15.333 ( -1.043 8.313 -4.084) 9.320 15.950 ( -3.697 -6.446 1.252) 7.536 16.350 ( -1.398 -9.017 2.638) 9.498 18.184 ( 1.422 0.755 0.263) 1.631 18.690 ( 3.212 7.211 -1.010) 7.958 ======================= Grid point 867 (416/481) ======================= q-point: ( 0.31 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 13.747 0.000 -9.457) 16.686 2.053 ( 14.948 0.000 -1.605) 15.033 2.350 ( 7.441 0.000 6.992) 10.210 2.828 ( -8.395 -0.000 -5.047) 9.795 3.036 ( 1.253 0.000 3.428) 3.649 3.077 ( 0.058 0.000 3.840) 3.840 3.246 ( 8.862 0.000 8.191) 12.068 3.690 ( -9.903 -0.000 -1.711) 10.050 4.111 ( 7.398 0.000 -8.097) 10.968 4.364 ( 2.614 0.000 -13.483) 13.734 5.129 ( 5.534 0.000 16.259) 17.175 5.770 ( -12.824 -0.000 -5.334) 13.889 6.592 ( 5.087 0.000 9.852) 11.088 6.593 ( -5.881 -0.000 0.134) 5.883 7.975 ( -0.306 -0.000 -4.422) 4.433 8.586 ( -1.707 -0.000 -16.856) 16.943 8.765 ( -0.022 -0.000 -0.328) 0.329 9.375 ( 2.692 0.000 -9.199) 9.585 11.281 ( -11.285 -0.000 -2.911) 11.654 11.591 ( 3.753 0.000 -1.648) 4.099 12.039 ( -5.798 -0.000 20.764) 21.558 12.826 ( -1.278 -0.000 -3.023) 3.282 12.946 ( -0.276 -0.000 0.461) 0.537 13.079 ( 0.856 0.000 -0.296) 0.906 14.538 ( 0.256 0.000 -12.284) 12.287 15.658 ( 3.219 0.000 -4.134) 5.240 16.441 ( -0.241 -0.000 -0.034) 0.243 16.924 ( 2.727 0.000 0.420) 2.759 17.827 ( 6.308 0.000 15.757) 16.972 17.949 ( 0.166 0.000 0.012) 0.167 ======================= Grid point 868 (417/481) ======================= q-point: ( 0.38 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 9.297 -19.057 -6.698) 22.237 2.114 ( 18.390 -0.073 0.484) 18.396 2.585 ( 7.424 -14.390 4.899) 16.917 2.892 ( -6.780 -11.992 -3.000) 14.099 3.078 ( 1.083 -1.782 4.195) 4.684 3.142 ( -2.496 -8.774 2.021) 9.343 3.394 ( 5.480 -7.731 8.349) 12.630 3.650 ( -9.380 -2.480 -1.204) 9.777 4.100 ( 1.827 0.906 -9.616) 9.830 4.322 ( 4.913 1.159 -16.417) 17.176 5.231 ( 7.327 -0.196 18.977) 20.343 5.679 ( -9.370 0.396 -4.084) 10.229 6.560 ( 3.801 2.295 6.235) 7.655 6.755 ( -5.055 -12.633 3.654) 14.089 7.908 ( 0.408 4.963 -5.806) 7.649 8.526 ( -2.402 -0.866 -14.995) 15.211 8.857 ( -0.227 -7.568 -2.282) 7.908 9.365 ( 2.493 -2.639 -6.949) 7.841 11.227 ( -9.392 -1.955 -1.411) 9.696 11.604 ( 6.421 1.109 -1.890) 6.785 12.010 ( -6.321 4.852 17.863) 19.559 12.729 ( -2.325 7.304 -2.032) 7.930 13.127 ( 1.281 -15.230 0.523) 15.293 13.208 ( -0.781 -13.415 1.176) 13.489 14.489 ( -0.139 0.817 -12.349) 12.377 15.362 ( 2.645 24.601 -2.299) 24.850 16.517 ( -3.162 -2.415 -2.389) 4.641 17.065 ( 7.754 -8.398 0.553) 11.444 17.540 ( -4.683 15.136 7.980) 17.740 18.315 ( 6.084 -18.574 6.214) 20.510 ======================= Grid point 869 (418/481) ======================= q-point: ( 0.44 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 18.669 -6.982 2.719) 20.117 2.478 ( 6.379 -22.858 -4.920) 24.236 2.890 ( 0.339 -11.686 0.711) 11.712 3.120 ( -1.337 -15.036 3.111) 15.413 3.174 ( 4.391 -5.717 5.674) 9.174 3.393 ( -1.611 -16.859 1.333) 16.988 3.641 ( 1.101 -12.432 7.521) 14.572 3.691 ( -9.298 -10.486 -3.412) 14.424 4.050 ( -5.326 -1.408 -11.411) 12.671 4.285 ( 6.918 0.447 -14.491) 16.064 5.333 ( 4.223 -0.747 16.317) 16.872 5.640 ( -2.666 -1.066 -1.320) 3.160 6.542 ( 5.097 5.037 7.490) 10.365 7.041 ( -6.000 -18.797 1.263) 19.772 7.782 ( 0.284 4.909 -7.108) 8.643 8.502 ( -2.489 -3.111 -11.572) 12.239 8.908 ( 0.290 1.016 -6.883) 6.964 9.559 ( 3.074 -17.221 0.847) 17.514 11.252 ( -5.741 -6.137 -0.988) 8.461 11.627 ( 6.063 -0.595 -0.558) 6.118 11.947 ( -6.040 2.834 13.571) 15.122 12.527 ( -2.795 11.704 -1.839) 12.173 13.402 ( 4.747 -11.557 1.026) 12.536 13.573 ( -2.480 -22.980 2.820) 23.285 14.437 ( -1.953 -0.873 -12.321) 12.505 14.908 ( 1.541 22.883 -1.594) 22.990 16.465 ( -3.421 3.656 -2.128) 5.441 16.919 ( 4.431 23.847 1.489) 24.301 17.622 ( -3.706 -17.970 4.359) 18.859 18.676 ( 6.165 -13.859 4.935) 15.951 ======================= Grid point 870 (419/481) ======================= q-point: ( 0.50 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 17.008 -9.510 4.205) 19.935 2.867 ( 4.690 -14.485 -3.877) 15.711 3.049 ( -5.774 -10.153 3.061) 12.075 3.322 ( 3.016 -6.371 1.043) 7.126 3.458 ( 5.420 -15.097 5.738) 17.036 3.685 ( -3.952 -15.798 -1.825) 16.386 3.834 ( 0.482 -9.147 1.058) 9.221 3.939 ( -4.089 -12.844 -0.219) 13.481 4.110 ( -9.410 -16.377 -10.565) 21.642 4.317 ( 3.853 -5.934 -6.702) 9.745 5.422 ( 0.735 -2.652 11.464) 11.790 5.671 ( 2.493 -1.836 0.504) 3.137 6.490 ( 4.124 5.699 8.036) 10.680 7.227 ( -3.281 0.266 -5.793) 6.663 7.824 ( -1.632 -15.494 -1.600) 15.661 8.546 ( -1.071 -6.505 -8.450) 10.717 8.835 ( 0.797 3.668 -5.483) 6.645 9.955 ( 3.024 -20.061 3.915) 20.661 11.377 ( -1.715 -8.768 -0.198) 8.937 11.701 ( 3.907 -4.081 0.832) 5.711 11.947 ( -4.473 -2.889 8.577) 10.095 12.271 ( -3.525 11.777 -2.275) 12.502 13.581 ( 5.943 -2.572 1.338) 6.612 13.974 ( -1.762 -18.064 2.290) 18.294 14.409 ( -1.677 2.881 -5.769) 6.663 14.592 ( -0.932 4.393 -5.614) 7.189 16.353 ( -1.310 6.666 -1.161) 6.892 16.481 ( -1.297 21.910 1.402) 21.993 17.934 ( -0.808 -14.000 2.124) 14.184 18.932 ( 5.153 -8.486 3.195) 10.430 ======================= Grid point 871 (420/481) ======================= q-point: ( 0.56 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 10.311 -5.019 5.636) 12.778 3.015 ( -0.767 -4.307 -1.655) 4.678 3.271 ( 1.911 -10.302 1.375) 10.568 3.446 ( -1.728 -7.792 -0.899) 8.031 3.762 ( 5.325 -12.520 2.672) 13.865 3.919 ( 2.790 -9.380 -5.634) 11.292 3.997 ( -7.384 -14.148 -1.276) 16.010 4.185 ( 0.592 -13.613 0.335) 13.630 4.339 ( -2.256 -14.600 -4.785) 15.528 4.549 ( -3.946 -16.644 0.157) 17.106 5.522 ( -0.284 -3.826 9.691) 10.423 5.722 ( 2.631 -2.327 -2.491) 4.306 6.446 ( 4.088 4.287 9.144) 10.895 7.039 ( -3.150 11.567 -9.013) 14.999 8.206 ( -2.217 -21.387 1.214) 21.535 8.695 ( 5.393 -10.785 -6.910) 13.898 8.767 ( -3.338 0.459 -1.041) 3.526 10.311 ( 2.444 -13.889 4.017) 14.664 11.500 ( -0.220 -2.916 4.928) 5.730 11.776 ( 1.114 0.606 -3.248) 3.486 12.065 ( 0.683 -6.232 2.961) 6.933 12.155 ( -4.962 -9.756 -0.782) 10.974 13.579 ( 3.936 4.751 -0.129) 6.171 14.030 ( -2.451 10.601 0.333) 10.886 14.454 ( 4.193 -11.171 1.178) 11.990 14.678 ( -4.302 -11.121 -6.705) 13.680 16.061 ( 0.134 18.429 0.894) 18.452 16.272 ( -3.210 3.961 -0.342) 5.110 18.135 ( -0.155 -7.277 0.936) 7.338 19.077 ( 3.730 -3.482 1.711) 5.382 ======================= Grid point 872 (421/481) ======================= q-point: ( 0.62 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 2.698 1.642 3.359) 4.611 3.074 ( -2.183 -3.474 0.352) 4.118 3.411 ( 0.783 -4.392 1.135) 4.603 3.604 ( 2.196 -7.989 -3.019) 8.818 3.993 ( 4.098 -8.986 -0.437) 9.886 4.071 ( -0.361 -8.840 -3.579) 9.544 4.280 ( -2.282 -18.099 0.287) 18.244 4.417 ( -0.297 -10.791 2.653) 11.116 4.623 ( 0.662 -15.904 -4.375) 16.508 4.790 ( -4.055 -11.003 1.781) 11.861 5.596 ( -0.172 -0.234 7.258) 7.264 5.795 ( 0.922 -6.357 -4.067) 7.603 6.437 ( 4.339 2.776 8.942) 10.320 6.764 ( -3.738 11.662 -8.102) 14.683 8.509 ( -1.519 -11.783 0.286) 11.884 8.716 ( 1.279 1.534 -1.520) 2.510 9.031 ( 1.152 -20.525 -0.856) 20.575 10.505 ( 1.378 -4.063 2.451) 4.941 11.497 ( -3.164 4.337 9.248) 10.694 11.728 ( 2.645 -0.264 -8.420) 8.830 12.258 ( 0.161 -13.334 1.598) 13.431 12.456 ( -1.215 -18.941 -0.465) 18.986 13.500 ( 1.273 3.934 -0.715) 4.197 13.788 ( -0.929 12.719 0.394) 12.759 14.671 ( 5.046 -6.592 0.630) 8.326 14.823 ( -4.689 -8.640 -3.241) 10.351 15.790 ( -0.150 10.145 0.222) 10.148 16.200 ( -1.847 2.346 0.343) 3.006 18.219 ( -0.060 -1.934 0.256) 1.952 19.122 ( 2.041 0.609 0.694) 2.240 ======================= Grid point 873 (422/481) ======================= q-point: (-0.31 -0.69 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -0.666 3.102 1.273) 3.418 3.123 ( -1.503 -2.612 1.154) 3.227 3.473 ( -1.709 -1.905 2.567) 3.625 3.712 ( 3.792 -3.060 -5.582) 7.410 4.171 ( 2.612 -8.396 -0.195) 8.795 4.206 ( -2.206 -6.535 -1.365) 7.031 4.576 ( 0.942 -9.328 4.425) 10.367 4.641 ( 1.059 -15.112 0.529) 15.158 4.810 ( -4.379 -5.933 -4.703) 8.746 4.995 ( 1.944 -12.159 0.994) 12.353 5.573 ( 0.082 4.078 2.533) 4.801 5.933 ( -0.116 -8.218 -1.443) 8.344 6.423 ( 3.177 5.156 4.892) 7.786 6.544 ( -3.168 5.867 -4.084) 7.820 8.647 ( -4.813 -3.994 1.092) 6.349 8.710 ( 4.780 -0.388 -1.237) 4.953 9.416 ( 0.600 -19.168 0.239) 19.179 10.495 ( 0.420 5.919 0.657) 5.971 11.433 ( -3.583 1.840 6.867) 7.961 11.753 ( 2.999 -1.758 -6.122) 7.040 12.540 ( -0.054 -15.637 0.897) 15.663 12.763 ( -0.101 -13.849 -0.610) 13.863 13.466 ( -0.647 0.094 -0.250) 0.700 13.565 ( 0.648 10.830 0.210) 10.852 14.726 ( 0.425 2.110 -0.290) 2.172 14.944 ( -0.180 -6.816 -0.706) 6.855 15.686 ( 0.291 1.400 -0.306) 1.462 16.159 ( -0.866 1.570 0.689) 1.921 18.223 ( 0.053 1.172 -0.031) 1.174 19.091 ( 0.409 3.307 0.138) 3.335 ======================= Grid point 874 (423/481) ======================= q-point: (-0.25 -0.69 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -0.802 2.376 0.955) 2.683 3.162 ( -0.767 -1.932 0.984) 2.300 3.482 ( -2.475 0.486 2.949) 3.880 3.734 ( 2.836 0.465 -5.617) 6.310 4.268 ( -3.282 -2.335 -1.603) 4.336 4.316 ( 2.332 -4.434 0.679) 5.056 4.712 ( 1.228 -4.239 2.782) 5.217 4.833 ( -2.143 -0.632 -0.758) 2.359 4.924 ( 1.152 -12.507 1.133) 12.611 5.231 ( 2.080 -11.509 -1.795) 11.832 5.474 ( 0.454 6.401 0.115) 6.418 6.064 ( -0.802 -5.882 -0.123) 5.937 6.311 ( 0.050 6.345 -0.261) 6.351 6.480 ( -0.472 1.777 0.736) 1.980 8.617 ( -8.060 2.317 0.663) 8.412 8.773 ( 8.906 -1.561 -0.518) 9.057 9.749 ( -1.035 -16.417 0.092) 16.450 10.310 ( 0.184 13.496 -0.169) 13.498 11.438 ( -3.500 -1.693 6.474) 7.552 11.759 ( 2.748 0.903 -5.829) 6.507 12.823 ( 0.023 -13.538 0.255) 13.540 12.978 ( -0.143 -9.576 -0.252) 9.580 13.386 ( -0.227 7.040 0.922) 7.104 13.464 ( 0.111 1.878 -0.634) 1.985 14.629 ( -0.269 7.492 -0.286) 7.503 15.081 ( 0.811 -7.961 -0.205) 8.005 15.708 ( 0.409 -2.774 -0.178) 2.810 16.131 ( -0.328 1.223 0.583) 1.394 18.191 ( 0.438 1.968 -0.073) 2.018 19.016 ( -0.705 4.342 -0.105) 4.400 ======================= Grid point 875 (424/481) ======================= q-point: (-0.19 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -0.185 1.906 1.108) 2.212 3.192 ( -0.469 -1.391 0.630) 1.598 3.449 ( -1.847 2.650 2.796) 4.272 3.700 ( 2.635 2.885 -4.484) 5.948 4.251 ( -3.017 1.397 -2.506) 4.163 4.340 ( 1.399 3.569 0.875) 3.932 4.774 ( -0.281 -2.096 -2.187) 3.042 4.802 ( 1.196 4.627 4.248) 6.394 5.107 ( 0.451 -5.782 1.968) 6.124 5.370 ( 2.249 3.775 -0.715) 4.452 5.440 ( -0.010 -9.642 -2.428) 9.943 6.131 ( -1.347 -1.705 0.638) 2.265 6.212 ( 0.639 4.217 -0.199) 4.270 6.441 ( -0.800 2.199 0.252) 2.354 8.495 ( -5.451 5.970 0.199) 8.087 8.867 ( 7.379 -3.466 -0.279) 8.157 9.952 ( -6.040 5.190 -1.422) 8.089 10.072 ( 4.415 0.398 1.105) 4.569 11.477 ( -4.339 -2.030 7.468) 8.872 11.723 ( 3.398 2.128 -6.982) 8.051 12.996 ( 0.060 -3.011 0.039) 3.012 13.072 ( -0.083 2.216 -0.224) 2.229 13.324 ( 0.534 -1.274 0.649) 1.526 13.442 ( -2.218 -3.244 -0.072) 3.930 14.460 ( 2.584 10.624 -0.289) 10.937 15.241 ( -0.912 -8.770 -0.336) 8.823 15.767 ( -0.020 -2.964 0.096) 2.965 16.118 ( -0.102 0.023 0.557) 0.567 18.166 ( 1.165 0.999 -0.023) 1.534 18.931 ( -0.896 3.997 -0.241) 4.103 ======================= Grid point 876 (425/481) ======================= q-point: (-0.12 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 0.277 2.461 1.326) 2.809 3.211 ( -0.420 -0.504 0.272) 0.710 3.382 ( -0.183 4.717 2.362) 5.279 3.632 ( 3.663 4.817 -3.528) 7.005 4.134 ( -3.596 9.329 -5.102) 11.224 4.240 ( 2.075 6.796 3.210) 7.797 4.695 ( 1.484 7.939 2.303) 8.398 4.784 ( 0.126 0.950 -1.281) 1.600 5.158 ( -0.219 1.092 2.365) 2.614 5.329 ( 2.763 2.257 -0.580) 3.614 5.557 ( -2.665 -2.442 -1.719) 4.003 6.112 ( -1.897 3.186 -0.047) 3.709 6.175 ( 0.650 -0.691 -1.512) 1.785 6.416 ( 1.251 -0.507 2.186) 2.569 8.361 ( -2.699 5.058 -0.005) 5.733 8.976 ( 6.147 -3.535 -0.229) 7.094 9.620 ( -3.488 19.024 -0.263) 19.343 10.214 ( 1.657 -5.575 0.503) 5.838 11.506 ( -5.597 -1.088 8.742) 10.437 11.690 ( 4.508 0.627 -8.490) 9.633 12.864 ( -1.311 15.417 -0.049) 15.472 12.972 ( 0.899 5.569 -0.119) 5.642 13.391 ( 0.573 -2.162 0.154) 2.241 13.579 ( -4.359 -11.360 0.419) 12.175 14.295 ( 6.413 8.314 -0.362) 10.506 15.370 ( -2.976 -5.773 -0.946) 6.563 15.811 ( -1.139 -2.046 0.148) 2.347 16.141 ( -0.065 -2.383 1.139) 2.642 18.170 ( 2.005 -0.406 0.042) 2.046 18.859 ( 0.038 3.302 -0.381) 3.324 ======================= Grid point 878 (426/481) ======================= q-point: (-0.06 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 0.757 4.038 1.859) 4.509 3.190 ( 1.559 3.899 -0.503) 4.229 3.300 ( 0.295 3.916 1.934) 4.377 3.538 ( 5.249 6.977 -3.602) 9.445 3.853 ( -1.640 15.727 -3.966) 16.302 4.136 ( 1.455 7.196 3.463) 8.117 4.545 ( 1.903 10.127 2.878) 10.699 4.720 ( -0.826 5.180 -4.054) 6.629 5.088 ( -2.053 6.194 2.113) 6.859 5.289 ( 4.005 5.482 1.295) 6.911 5.481 ( -3.769 6.209 -0.454) 7.278 6.001 ( -2.158 6.780 -0.437) 7.129 6.186 ( -4.261 -1.655 -3.972) 6.056 6.553 ( 6.918 -10.398 3.959) 13.102 8.294 ( -0.007 0.919 -0.099) 0.924 9.024 ( 5.869 5.231 -0.085) 7.863 9.265 ( -5.345 13.160 -0.070) 14.204 10.268 ( 2.336 1.318 1.136) 2.912 11.508 ( -6.108 0.329 8.713) 10.646 11.703 ( 4.723 -2.173 -8.866) 10.278 12.529 ( -0.995 18.385 0.342) 18.415 12.846 ( -0.360 8.298 0.013) 8.306 13.349 ( 1.635 6.753 -0.073) 6.948 13.780 ( -4.997 -12.608 0.545) 13.573 14.259 ( 8.071 0.137 -0.489) 8.087 15.395 ( -3.973 0.845 -2.470) 4.754 15.843 ( -3.065 -3.027 0.562) 4.344 16.218 ( -0.439 -5.450 1.947) 5.804 18.196 ( 2.328 -0.593 0.137) 2.406 18.801 ( 2.090 3.640 -0.389) 4.215 ======================= Grid point 885 (427/481) ======================= q-point: ( 0.38 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 11.083 0.000 -6.105) 12.654 2.258 ( 19.591 0.000 1.786) 19.672 2.490 ( 8.600 0.000 5.189) 10.044 2.693 ( -8.739 -0.000 -4.564) 9.859 3.055 ( -6.015 -0.000 4.624) 7.587 3.060 ( -0.459 -0.000 2.171) 2.219 3.370 ( 1.219 0.000 3.179) 3.404 3.592 ( -6.162 -0.000 4.155) 7.432 4.077 ( -3.040 -0.000 -10.171) 10.616 4.319 ( 9.603 0.000 -18.161) 20.543 5.341 ( 5.956 0.000 19.371) 20.266 5.625 ( -5.419 -0.000 -1.453) 5.610 6.532 ( -4.616 -0.000 0.148) 4.618 6.706 ( 3.265 0.000 9.202) 9.764 7.942 ( 0.744 0.000 -6.450) 6.493 8.453 ( -2.891 -0.000 -14.316) 14.605 8.763 ( -0.012 -0.000 -0.320) 0.320 9.323 ( -0.103 -0.000 -10.570) 10.571 11.152 ( -8.737 -0.000 0.216) 8.739 11.665 ( 10.819 0.000 -2.857) 11.190 12.082 ( -9.305 -0.000 17.423) 19.752 12.783 ( -3.027 -0.000 -1.325) 3.305 12.946 ( -0.236 -0.000 0.453) 0.510 13.086 ( 0.671 0.000 -0.291) 0.732 14.467 ( 1.173 0.000 -11.354) 11.414 15.661 ( 1.588 0.000 -3.089) 3.474 16.438 ( -0.195 -0.000 -0.043) 0.199 16.949 ( 0.675 0.000 1.559) 1.699 17.951 ( 0.140 0.000 0.022) 0.142 17.983 ( 4.879 0.000 11.076) 12.103 ======================= Grid point 886 (428/481) ======================= q-point: ( 0.44 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 7.414 -17.275 -3.754) 19.170 2.357 ( 20.708 -0.236 2.332) 20.840 2.673 ( 2.247 -11.597 0.842) 11.843 2.820 ( -1.912 -16.043 0.476) 16.163 3.073 ( -6.795 -5.292 6.418) 10.741 3.147 ( 0.529 -8.031 2.115) 8.322 3.413 ( -6.068 -6.096 -1.963) 8.822 3.597 ( -3.040 -1.818 5.289) 6.366 3.999 ( -4.673 1.728 -10.627) 11.737 4.306 ( 9.661 1.380 -15.860) 18.622 5.394 ( -2.475 0.563 10.931) 11.222 5.636 ( 5.173 -0.229 6.640) 8.420 6.616 ( 0.886 -7.192 1.810) 7.469 6.746 ( -2.308 -3.147 6.711) 7.764 7.870 ( 1.049 5.249 -8.446) 9.999 8.405 ( -3.208 -1.465 -10.639) 11.209 8.837 ( -0.275 -5.721 -2.909) 6.424 9.333 ( 0.307 -6.645 -6.843) 9.543 11.133 ( -6.225 -2.599 0.743) 6.787 11.697 ( 11.463 2.318 -2.231) 11.906 12.022 ( -9.734 4.420 13.256) 17.030 12.692 ( -2.559 7.227 0.211) 7.670 13.137 ( 0.005 -17.582 0.725) 17.597 13.208 ( -0.111 -12.200 0.418) 12.208 14.417 ( 0.975 1.982 -10.900) 11.122 15.372 ( 1.433 24.235 -1.814) 24.345 16.474 ( -2.302 -0.546 -1.214) 2.659 17.148 ( 5.375 -14.912 1.181) 15.896 17.531 ( -3.736 22.139 4.548) 22.908 18.411 ( 3.937 -19.415 4.838) 20.392 ======================= Grid point 887 (429/481) ======================= q-point: ( 0.50 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 7.553 -18.007 -0.087) 19.527 2.557 ( 13.564 -10.435 0.670) 17.126 2.878 ( -1.712 -8.082 3.070) 8.813 3.139 ( 0.492 -15.285 2.260) 15.459 3.269 ( 3.605 -12.275 6.886) 14.529 3.359 ( -4.130 -15.037 0.327) 15.598 3.540 ( -10.060 -15.258 -4.430) 18.805 3.681 ( -2.955 -8.846 2.268) 9.599 3.915 ( -2.589 0.535 -9.715) 10.069 4.283 ( 5.692 0.619 -10.704) 12.139 5.406 ( -3.419 -1.580 5.694) 6.827 5.702 ( 7.554 0.540 8.400) 11.310 6.641 ( 3.601 5.082 6.834) 9.246 6.982 ( -4.740 -18.614 0.035) 19.208 7.735 ( 0.503 4.737 -8.541) 9.779 8.408 ( -3.057 -3.960 -6.706) 8.367 8.865 ( 0.254 0.671 -6.699) 6.737 9.589 ( 1.471 -19.851 0.314) 19.908 11.195 ( -3.572 -7.175 0.313) 8.021 11.716 ( 9.114 1.025 -0.855) 9.211 11.940 ( -7.776 2.143 9.066) 12.135 12.492 ( -2.307 12.427 0.514) 12.649 13.452 ( 2.749 -13.478 0.890) 13.785 13.563 ( -1.839 -23.622 2.011) 23.778 14.349 ( -0.105 0.850 -10.621) 10.655 14.911 ( 0.739 23.262 -1.219) 23.306 16.420 ( -2.468 3.497 -0.899) 4.373 16.971 ( 2.571 27.282 1.280) 27.433 17.613 ( -1.848 -20.027 2.662) 20.287 18.759 ( 3.511 -13.932 3.233) 14.727 ======================= Grid point 888 (430/481) ======================= q-point: ( 0.56 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 8.098 -8.102 4.052) 12.150 2.897 ( 3.044 -13.671 -0.902) 14.035 3.024 ( 0.069 -10.588 4.889) 11.662 3.315 ( -3.758 -5.253 -3.522) 7.357 3.554 ( 3.267 -12.711 5.345) 14.171 3.613 ( -3.539 -16.714 -0.935) 17.110 3.845 ( 0.618 -10.430 0.272) 10.452 3.887 ( -3.525 -14.298 -1.991) 14.860 3.971 ( -3.137 -17.382 -8.512) 19.607 4.316 ( 1.773 -6.112 -3.565) 7.294 5.463 ( -1.884 -4.117 5.104) 6.822 5.742 ( 5.020 1.464 3.852) 6.495 6.583 ( 2.674 5.015 7.855) 9.696 7.144 ( -3.495 1.806 -6.799) 7.855 7.805 ( 0.196 -16.900 -1.729) 16.989 8.481 ( -2.934 -7.895 -3.643) 9.177 8.813 ( 1.843 2.570 -5.716) 6.532 10.003 ( 1.358 -20.923 2.572) 21.124 11.358 ( -1.331 -10.852 0.304) 10.938 11.765 ( 5.000 -1.593 0.459) 5.268 11.935 ( -4.261 -3.692 5.008) 7.541 12.232 ( -1.905 12.770 -0.101) 12.912 13.638 ( 2.275 -2.726 1.110) 3.720 13.972 ( -0.920 -17.209 1.919) 17.340 14.357 ( 0.535 -5.018 -7.104) 8.714 14.558 ( -0.540 10.945 -2.370) 11.212 16.329 ( -1.656 4.489 -0.174) 4.788 16.483 ( -0.125 24.886 0.984) 24.906 17.941 ( 0.001 -14.042 1.261) 14.099 18.992 ( 2.469 -8.262 1.691) 8.787 ======================= Grid point 889 (431/481) ======================= q-point: (-0.38 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 0.180 -3.913 6.329) 7.443 2.992 ( -2.200 -1.624 -0.975) 2.903 3.312 ( 2.938 -8.435 2.102) 9.177 3.396 ( -1.920 -12.168 -4.036) 12.963 3.806 ( -0.549 -10.889 2.951) 11.295 3.904 ( 0.352 -14.126 -4.258) 14.758 3.964 ( 3.368 -9.164 -3.429) 10.348 4.170 ( -3.480 -15.270 3.598) 16.070 4.296 ( 0.202 -17.953 -5.623) 18.814 4.536 ( 0.652 -14.855 1.216) 14.919 5.565 ( -1.389 -5.232 6.840) 8.723 5.736 ( 2.028 0.947 -2.583) 3.418 6.547 ( 2.744 3.397 8.054) 9.162 6.940 ( -3.359 11.793 -7.753) 14.508 8.200 ( 0.049 -20.541 0.798) 20.556 8.656 ( -6.649 -13.011 0.805) 14.634 8.776 ( 6.838 -0.203 -5.999) 9.099 10.350 ( 0.520 -13.840 2.253) 14.032 11.525 ( -0.755 -5.175 3.922) 6.537 11.765 ( -0.234 4.876 -2.096) 5.312 12.087 ( 0.373 -6.795 1.857) 7.054 12.118 ( -0.265 -10.831 -0.597) 10.851 13.602 ( -0.038 5.508 -0.126) 5.510 14.017 ( 0.054 10.287 0.215) 10.290 14.514 ( 4.441 -11.913 1.703) 12.828 14.590 ( -3.480 -11.259 -5.837) 13.151 16.068 ( 0.245 18.980 0.423) 18.987 16.246 ( -1.440 3.504 0.604) 3.836 18.140 ( 0.239 -7.060 0.452) 7.079 19.111 ( 0.960 -3.156 0.498) 3.336 ======================= Grid point 890 (432/481) ======================= q-point: (-0.31 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( -2.150 3.411 1.630) 4.349 3.048 ( -3.871 -4.809 2.484) 6.655 3.406 ( -2.717 -4.160 1.246) 5.122 3.622 ( 5.120 -8.028 -4.322) 10.457 3.980 ( -4.407 -9.420 0.488) 10.412 4.068 ( 2.520 -8.444 -3.471) 9.471 4.283 ( 2.238 -18.712 0.149) 18.846 4.429 ( -1.400 -12.150 2.907) 12.571 4.591 ( -0.066 -14.288 -3.132) 14.627 4.803 ( 3.355 -11.541 1.144) 12.073 5.631 ( -1.285 1.032 5.529) 5.769 5.775 ( 0.409 -6.895 -3.856) 7.910 6.534 ( 1.985 2.216 5.793) 6.512 6.671 ( -2.829 11.955 -5.274) 13.369 8.491 ( -2.706 -10.346 1.860) 10.855 8.719 ( 1.195 -1.236 -1.737) 2.444 9.040 ( 1.614 -20.116 -1.604) 20.244 10.522 ( -0.332 -3.720 0.826) 3.825 11.521 ( -3.330 5.993 9.241) 11.506 11.700 ( 2.010 -2.040 -8.026) 8.522 12.268 ( 0.061 -13.016 0.751) 13.037 12.453 ( 1.036 -18.819 -0.173) 18.849 13.495 ( -1.551 4.071 -0.238) 4.363 13.793 ( 1.527 12.601 -0.064) 12.693 14.690 ( -3.393 -5.027 -0.879) 6.128 14.794 ( 3.824 -10.526 -0.823) 11.229 15.794 ( 0.945 10.263 -0.229) 10.309 16.190 ( -0.640 2.137 1.224) 2.545 18.222 ( 0.299 -1.790 0.042) 1.815 19.132 ( -0.696 0.849 -0.196) 1.115 ======================= Grid point 891 (433/481) ======================= q-point: (-0.25 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -1.995 2.776 1.217) 3.628 3.115 ( -1.823 -3.172 2.228) 4.283 3.453 ( -4.282 -2.344 2.212) 5.359 3.720 ( 4.040 -2.155 -5.901) 7.468 4.117 ( -6.487 -8.303 -1.388) 10.628 4.234 ( 3.043 -7.249 0.626) 7.887 4.588 ( -2.100 -9.404 -0.017) 9.636 4.661 ( 2.717 -15.617 -0.986) 15.882 4.786 ( 1.634 -6.293 3.216) 7.253 5.032 ( 4.740 -10.749 -1.399) 11.831 5.580 ( -0.768 4.371 0.819) 4.513 5.922 ( -0.631 -8.361 -0.403) 8.395 6.445 ( -2.739 8.326 -3.651) 9.495 6.518 ( 1.531 2.574 3.917) 4.931 8.564 ( -8.567 -1.854 1.582) 8.907 8.797 ( 9.554 -3.049 -1.606) 10.157 9.407 ( -1.799 -18.894 -0.610) 18.989 10.496 ( -0.506 5.960 -0.231) 5.986 11.441 ( -2.997 2.272 6.882) 7.843 11.740 ( 1.798 -2.202 -5.980) 6.621 12.543 ( -0.196 -15.570 0.365) 15.575 12.764 ( 0.695 -13.476 -0.088) 13.494 13.449 ( -2.255 0.361 0.461) 2.329 13.585 ( 2.720 10.455 -0.463) 10.813 14.695 ( -4.776 1.012 -0.487) 4.906 14.972 ( 4.883 -6.011 -0.183) 7.746 15.694 ( 1.430 1.607 -0.420) 2.192 16.159 ( -0.201 1.590 1.255) 2.036 18.226 ( 0.542 1.146 -0.062) 1.270 19.081 ( -1.961 3.289 -0.436) 3.855 ======================= Grid point 892 (434/481) ======================= q-point: (-0.19 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -0.597 1.905 1.578) 2.545 3.161 ( -0.648 -1.990 1.296) 2.462 3.461 ( -4.034 -0.418 2.382) 4.703 3.734 ( 3.145 0.599 -4.584) 5.592 4.191 ( -6.224 -4.175 -2.985) 8.068 4.355 ( 2.232 -3.051 1.521) 4.075 4.689 ( -2.388 -4.766 -3.019) 6.127 4.883 ( 3.983 -0.356 7.327) 8.348 4.949 ( 2.670 -12.287 -0.344) 12.579 5.243 ( 2.620 -10.088 -2.593) 10.740 5.476 ( 0.265 5.933 -1.017) 6.026 6.053 ( -1.290 -5.808 0.586) 5.979 6.303 ( -0.951 5.208 -0.651) 5.334 6.480 ( -0.252 2.660 0.734) 2.771 8.520 ( -8.388 1.302 0.380) 8.497 8.887 ( 10.448 -0.749 -0.572) 10.491 9.718 ( -3.527 -16.080 -0.845) 16.484 10.312 ( 0.226 12.732 -0.049) 12.734 11.443 ( -3.392 -1.358 6.804) 7.723 11.746 ( 1.979 0.558 -6.236) 6.566 12.824 ( 0.105 -13.613 -0.018) 13.613 12.975 ( -0.223 -9.239 0.170) 9.243 13.392 ( 0.041 5.641 0.954) 5.721 13.460 ( 0.106 3.843 -0.637) 3.897 14.616 ( -1.639 4.942 -0.353) 5.218 15.098 ( 2.426 -5.923 -0.201) 6.404 15.717 ( 1.115 -2.418 -0.058) 2.663 16.134 ( -0.068 1.321 0.858) 1.577 18.200 ( 1.058 1.764 -0.018) 2.057 18.996 ( -2.321 3.966 -0.419) 4.614 ======================= Grid point 893 (435/481) ======================= q-point: (-0.12 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 0.312 1.756 1.749) 2.498 3.191 ( -0.387 -1.211 0.535) 1.379 3.440 ( -2.228 1.432 1.860) 3.236 3.711 ( 3.432 2.500 -2.629) 4.994 4.181 ( -4.528 0.816 -4.212) 6.238 4.367 ( 1.516 3.417 1.845) 4.168 4.732 ( -1.094 -2.076 -4.089) 4.715 4.881 ( 2.842 5.380 7.721) 9.831 5.130 ( 1.445 -5.356 1.297) 5.697 5.387 ( 1.715 2.915 -1.815) 3.838 5.418 ( -0.101 -8.172 -3.060) 8.727 6.117 ( -1.735 -1.554 0.792) 2.460 6.222 ( 1.108 3.625 0.158) 3.793 6.431 ( -1.155 1.725 0.293) 2.097 8.429 ( -5.404 3.875 -0.032) 6.650 8.961 ( 8.349 -1.811 -0.246) 8.546 9.873 ( -5.802 3.857 -1.297) 7.087 10.124 ( 3.170 1.019 1.139) 3.519 11.475 ( -4.678 -1.684 7.604) 9.085 11.713 ( 3.327 1.677 -7.356) 8.246 12.997 ( 0.079 -2.386 0.014) 2.387 13.069 ( -0.196 1.536 -0.254) 1.569 13.337 ( 1.283 -0.964 0.098) 1.607 13.411 ( -3.322 -2.106 0.620) 3.982 14.495 ( 3.484 8.192 -0.426) 8.912 15.224 ( -1.486 -7.021 -0.373) 7.186 15.769 ( 0.064 -2.281 0.208) 2.291 16.122 ( 0.040 -0.059 0.665) 0.668 18.184 ( 1.739 0.678 0.033) 1.867 18.915 ( -1.444 3.244 -0.337) 3.567 ======================= Grid point 894 (436/481) ======================= q-point: (-0.06 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 0.973 2.306 1.946) 3.170 3.205 ( -0.613 -0.405 -0.105) 0.742 3.394 ( 0.411 3.468 0.773) 3.576 3.665 ( 4.661 4.268 -1.089) 6.414 4.055 ( -3.370 8.792 -5.740) 11.028 4.288 ( 2.292 6.306 3.618) 7.622 4.717 ( 1.649 3.156 -2.733) 4.489 4.788 ( -0.607 6.624 4.408) 7.980 5.171 ( -0.476 2.133 2.305) 3.176 5.359 ( 3.439 1.295 -1.202) 3.866 5.500 ( -4.455 -1.849 -2.745) 5.550 6.088 ( -2.127 3.620 0.224) 4.204 6.175 ( 1.453 2.325 -1.686) 3.219 6.450 ( 1.330 -4.567 2.828) 5.534 8.335 ( -1.398 3.343 -0.056) 3.624 9.047 ( 5.679 -2.728 0.002) 6.300 9.575 ( -3.804 18.910 0.294) 19.291 10.241 ( 2.173 -5.672 0.797) 6.126 11.496 ( -5.981 -0.891 8.501) 10.433 11.687 ( 4.814 0.519 -8.516) 9.797 12.847 ( -1.526 15.126 0.092) 15.203 12.982 ( 0.961 6.174 -0.389) 6.261 13.400 ( 0.894 -1.916 -0.168) 2.121 13.529 ( -4.707 -10.879 0.834) 11.883 14.376 ( 7.659 6.721 -0.465) 10.201 15.319 ( -4.567 -4.665 -0.970) 6.600 15.796 ( -1.601 -1.124 0.151) 1.962 16.148 ( -0.012 -2.527 1.079) 2.748 18.196 ( 2.185 -0.641 0.059) 2.278 18.860 ( 0.672 2.225 -0.217) 2.334 ======================= Grid point 902 (437/481) ======================= q-point: ( 0.44 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 7.879 0.000 -2.869) 8.385 2.502 ( 18.230 0.000 1.924) 18.331 2.530 ( -6.372 -0.000 -2.823) 6.970 2.647 ( 5.441 0.000 2.316) 5.913 3.027 ( -6.189 -0.000 10.525) 12.209 3.058 ( -1.453 -0.000 1.087) 1.815 3.320 ( -6.201 -0.000 -2.609) 6.728 3.574 ( -4.529 -0.000 1.393) 4.738 3.967 ( -2.419 -0.000 -7.906) 8.268 4.323 ( 8.010 0.000 -14.433) 16.507 5.388 ( -7.059 -0.000 3.838) 8.035 5.726 ( 10.633 0.000 13.586) 17.252 6.491 ( -2.533 -0.000 0.129) 2.537 6.787 ( 1.301 0.000 7.246) 7.362 7.900 ( 1.265 0.000 -10.342) 10.419 8.342 ( -3.249 -0.000 -7.580) 8.247 8.761 ( 0.010 0.000 -0.276) 0.276 9.242 ( -1.644 -0.000 -9.756) 9.894 11.084 ( -4.260 -0.000 1.629) 4.560 11.795 ( 14.284 0.000 -2.548) 14.510 12.047 ( -12.642 -0.000 10.742) 16.589 12.750 ( -2.540 -0.000 1.731) 3.073 12.946 ( -0.181 -0.000 0.410) 0.448 13.091 ( 0.402 0.000 -0.268) 0.483 14.414 ( 1.601 0.000 -9.577) 9.710 15.657 ( 0.800 0.000 -2.205) 2.345 16.436 ( -0.112 -0.000 -0.040) 0.118 16.963 ( -0.303 -0.000 2.096) 2.117 17.952 ( 0.086 0.000 0.020) 0.088 18.086 ( 2.913 0.000 6.717) 7.321 ======================= Grid point 903 (438/481) ======================= q-point: ( 0.50 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 3.347 -15.643 -1.652) 16.082 2.544 ( 4.154 -2.933 -0.771) 5.143 2.699 ( 7.399 -13.259 2.112) 15.330 2.848 ( 2.015 -15.463 1.928) 15.713 3.024 ( -6.978 -3.677 5.166) 9.429 3.190 ( 3.024 -9.110 6.362) 11.515 3.315 ( -6.247 -4.406 -2.079) 7.922 3.551 ( -6.102 -1.998 -4.792) 8.012 3.920 ( 0.496 1.958 -4.557) 4.984 4.298 ( 3.096 1.445 -10.702) 11.234 5.370 ( -4.202 -0.962 2.275) 4.874 5.811 ( 8.710 1.692 11.352) 14.408 6.619 ( -0.458 -13.689 0.192) 13.698 6.778 ( -0.235 3.338 6.100) 6.957 7.816 ( 0.776 5.263 -10.920) 12.147 8.320 ( -2.933 -1.672 -3.748) 5.044 8.813 ( -0.190 -3.791 -3.006) 4.842 9.289 ( -0.717 -10.381 -4.954) 11.524 11.092 ( -2.187 -2.504 1.414) 3.613 11.821 ( 9.949 4.042 -1.513) 10.845 11.972 ( -7.933 2.733 6.755) 10.772 12.675 ( -2.166 7.329 2.577) 8.066 13.140 ( -0.391 -18.556 0.914) 18.582 13.210 ( 0.347 -11.782 -0.102) 11.787 14.366 ( 1.307 2.658 -8.674) 9.166 15.373 ( 0.600 24.009 -1.348) 24.054 16.448 ( -1.217 0.584 -0.330) 1.390 17.199 ( 1.378 -20.560 1.729) 20.679 17.523 ( -0.869 27.670 1.940) 27.751 18.470 ( 2.007 -19.643 2.789) 19.942 ======================= Grid point 904 (439/481) ======================= q-point: (-0.44 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 0.013 -22.403 -0.726) 22.415 2.641 ( -3.836 -6.697 1.820) 7.930 2.986 ( 14.018 -5.749 7.034) 16.705 3.103 ( -8.376 -11.119 -3.733) 14.413 3.290 ( -0.679 -24.737 3.538) 24.998 3.388 ( 0.591 -10.575 0.541) 10.606 3.425 ( -1.502 -9.639 1.696) 9.901 3.617 ( -4.357 -12.596 -4.396) 14.035 3.881 ( 2.784 1.316 -3.920) 4.985 4.256 ( -1.094 -0.229 -6.117) 6.218 5.397 ( -1.336 -2.822 2.459) 3.975 5.834 ( 4.697 3.007 5.546) 7.865 6.711 ( 0.908 4.995 5.476) 7.468 6.941 ( -1.292 -17.597 -0.655) 17.657 7.684 ( 0.534 3.375 -7.983) 8.683 8.347 ( -2.805 -3.940 -1.157) 4.973 8.829 ( 0.577 0.263 -5.185) 5.224 9.598 ( -0.041 -21.712 0.097) 21.712 11.175 ( -0.511 -7.118 0.812) 7.182 11.779 ( -1.183 1.584 0.209) 1.989 11.935 ( 3.690 1.824 2.815) 4.987 12.476 ( -2.447 12.869 2.459) 13.328 13.476 ( 0.396 -14.110 0.352) 14.120 13.561 ( -0.296 -24.288 1.729) 24.351 14.294 ( 1.303 1.693 -8.041) 8.320 14.909 ( 0.172 23.388 -0.854) 23.404 16.397 ( -1.117 3.584 0.226) 3.761 16.991 ( -0.484 28.395 1.093) 28.420 17.618 ( 0.779 -20.660 1.095) 20.704 18.802 ( 1.297 -13.885 1.235) 14.000 ======================= Grid point 905 (440/481) ======================= q-point: (-0.38 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -10.442 -9.324 4.142) 14.599 2.893 ( -3.646 -14.553 -0.610) 15.015 3.116 ( 3.733 -7.611 -1.226) 8.565 3.241 ( 1.215 -5.426 0.873) 5.628 3.585 ( 1.176 -13.976 1.880) 14.151 3.622 ( 1.267 -12.732 -0.276) 12.797 3.832 ( -2.177 -20.780 2.497) 21.042 3.881 ( 2.793 -7.844 -1.228) 8.416 3.912 ( 1.240 -15.312 -5.130) 16.196 4.305 ( -0.770 -8.714 -2.229) 9.028 5.474 ( -0.450 -4.820 3.359) 5.892 5.794 ( 0.781 3.691 -0.258) 3.781 6.645 ( 0.240 3.985 4.117) 5.735 7.075 ( -1.745 3.807 -2.710) 4.988 7.806 ( 2.118 -18.543 -2.019) 18.773 8.433 ( -3.963 -7.410 1.314) 8.505 8.803 ( 2.578 1.144 -4.875) 5.632 10.019 ( -0.693 -21.448 0.991) 21.482 11.353 ( -0.193 -10.988 0.875) 11.025 11.777 ( -3.098 -2.412 -0.625) 3.976 11.966 ( 6.263 -1.871 2.001) 6.836 12.216 ( -1.960 12.645 1.357) 12.868 13.644 ( -2.205 -2.378 0.600) 3.298 13.982 ( 0.693 -16.769 1.535) 16.853 14.334 ( 3.144 -8.538 -5.964) 10.879 14.544 ( -0.283 13.365 -0.675) 13.385 16.317 ( -0.828 4.394 0.984) 4.578 16.487 ( -0.210 24.940 0.602) 24.949 17.951 ( 0.839 -13.783 0.320) 13.812 19.012 ( -0.013 -8.012 -0.107) 8.013 ======================= Grid point 906 (441/481) ======================= q-point: (-0.31 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( -11.086 -8.830 1.404) 14.242 2.933 ( -6.866 0.184 2.571) 7.334 3.314 ( -1.007 -5.080 -1.704) 5.452 3.432 ( 7.369 -13.976 0.290) 15.803 3.793 ( -4.517 -8.595 0.925) 9.753 3.885 ( 1.100 -11.732 -3.893) 12.410 3.994 ( 5.757 -12.180 -1.883) 13.603 4.167 ( -2.179 -15.183 3.724) 15.784 4.284 ( 2.648 -18.115 -1.174) 18.345 4.563 ( 2.874 -16.283 -0.435) 16.540 5.589 ( -0.997 -6.099 5.211) 8.083 5.722 ( -0.683 2.421 -4.490) 5.147 6.585 ( -1.654 2.898 -0.815) 3.435 6.891 ( -0.252 12.039 1.608) 12.148 8.219 ( 2.529 -19.984 0.269) 20.145 8.579 ( -8.711 -10.236 3.353) 13.853 8.820 ( 7.098 -3.892 -5.405) 9.734 10.352 ( -1.675 -13.900 0.184) 14.002 11.534 ( -1.281 -6.912 2.580) 7.488 11.741 ( -2.037 6.397 -0.756) 6.756 12.099 ( 0.365 -3.702 0.113) 3.722 12.142 ( 4.604 -13.001 0.104) 13.792 13.578 ( -3.872 5.360 0.038) 6.612 14.034 ( 2.481 10.300 0.002) 10.594 14.511 ( -3.641 -9.400 -3.520) 10.678 14.588 ( 5.703 -13.749 0.943) 14.915 16.072 ( 0.283 18.393 -0.153) 18.396 16.248 ( 0.379 3.759 1.935) 4.245 18.146 ( 0.607 -6.858 -0.095) 6.885 19.105 ( -1.715 -2.922 -0.963) 3.522 ======================= Grid point 907 (442/481) ======================= q-point: (-0.25 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( -6.201 0.929 -0.704) 6.309 3.019 ( -5.878 -6.589 5.724) 10.523 3.375 ( -3.310 -3.391 0.378) 4.754 3.652 ( 5.077 -6.211 -5.625) 9.798 3.914 ( -7.075 -8.361 -0.630) 10.971 4.077 ( 1.495 -10.656 -0.086) 10.760 4.328 ( 5.218 -16.794 -0.065) 17.586 4.414 ( -2.322 -12.191 -0.138) 12.410 4.605 ( 2.896 -14.336 1.468) 14.699 4.862 ( 5.978 -12.245 -0.244) 13.628 5.634 ( -2.547 2.156 1.851) 3.816 5.760 ( 0.392 -8.018 -1.698) 8.205 6.494 ( -5.121 3.543 -7.448) 9.708 6.694 ( 2.799 10.488 7.654) 13.282 8.468 ( -4.281 -5.578 3.174) 7.715 8.724 ( 1.987 -9.027 -1.904) 9.437 9.047 ( 1.945 -16.720 -2.198) 16.975 10.508 ( -2.112 -4.017 -0.856) 4.618 11.541 ( -3.707 6.851 9.071) 11.957 11.670 ( 1.797 -3.351 -7.542) 8.446 12.269 ( -0.060 -12.835 -0.227) 12.837 12.477 ( 3.073 -17.635 0.188) 17.902 13.464 ( -3.676 3.396 0.240) 5.010 13.820 ( 3.299 12.580 -0.466) 13.013 14.620 ( -6.103 -4.878 -1.391) 7.936 14.862 ( 6.616 -10.325 0.577) 12.276 15.809 ( 1.973 10.005 -0.647) 10.218 16.201 ( 0.463 2.404 2.251) 3.326 18.226 ( 0.545 -1.785 -0.182) 1.875 19.104 ( -3.206 0.827 -1.223) 3.529 ======================= Grid point 908 (443/481) ======================= q-point: (-0.19 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -2.854 0.855 1.196) 3.210 3.110 ( -2.306 -3.986 3.365) 5.703 3.408 ( -5.195 -2.607 1.473) 5.997 3.726 ( 3.637 -1.920 -5.604) 6.951 4.020 ( -7.975 -7.912 -2.533) 11.516 4.270 ( 1.876 -7.760 1.746) 8.172 4.551 ( -2.504 -7.768 -1.128) 8.239 4.694 ( 4.357 -16.006 -1.825) 16.688 4.850 ( 3.017 -8.444 5.442) 10.489 5.088 ( 6.761 -8.638 -1.614) 11.088 5.566 ( -1.631 4.039 -0.804) 4.430 5.915 ( -0.473 -8.132 0.541) 8.164 6.365 ( -4.925 3.850 -5.108) 8.073 6.577 ( 2.456 6.691 4.868) 8.631 8.478 ( -8.054 -0.498 1.470) 8.202 8.901 ( 9.982 -5.037 -1.484) 11.279 9.368 ( -3.671 -17.989 -1.464) 18.418 10.480 ( -1.561 5.117 -1.036) 5.449 11.455 ( -2.794 2.562 7.306) 8.231 11.717 ( 1.347 -2.325 -6.272) 6.823 12.541 ( -0.215 -15.690 -0.152) 15.692 12.777 ( 1.297 -12.493 0.372) 12.566 13.424 ( -2.693 -0.240 0.833) 2.829 13.618 ( 3.594 10.730 -0.779) 11.342 14.623 ( -6.859 -0.557 -0.367) 6.891 15.040 ( 6.733 -4.660 0.008) 8.188 15.713 ( 2.442 1.845 -0.499) 3.101 16.170 ( 0.278 2.033 1.813) 2.739 18.234 ( 0.725 0.956 -0.078) 1.203 19.042 ( -3.839 2.862 -1.047) 4.902 ======================= Grid point 909 (444/481) ======================= q-point: (-0.12 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -0.737 0.958 1.832) 2.194 3.164 ( -0.377 -1.952 1.409) 2.437 3.424 ( -4.582 -1.537 1.925) 5.202 3.747 ( 3.607 0.157 -3.355) 4.929 4.092 ( -6.655 -5.250 -3.766) 9.276 4.385 ( 1.188 -2.788 1.554) 3.406 4.648 ( -1.724 -4.688 -1.893) 5.342 4.977 ( 3.095 -11.029 -1.146) 11.512 4.979 ( 3.376 -1.704 6.898) 7.867 5.261 ( 3.083 -7.247 -1.884) 8.098 5.468 ( 0.306 4.702 -2.212) 5.205 6.045 ( -1.018 -5.484 1.054) 5.676 6.278 ( -2.528 2.168 -0.968) 3.468 6.487 ( 0.647 4.923 0.649) 5.007 8.434 ( -6.786 0.725 0.183) 6.827 8.998 ( 9.133 -0.287 -0.680) 9.163 9.662 ( -4.415 -15.952 -1.620) 16.631 10.312 ( -0.245 11.098 -0.052) 11.101 11.450 ( -3.620 -0.744 7.492) 8.354 11.725 ( 2.075 0.071 -6.912) 7.217 12.826 ( 0.339 -13.866 -0.237) 13.872 12.975 ( -0.324 -8.513 0.523) 8.535 13.397 ( -0.393 3.272 1.155) 3.492 13.461 ( 1.107 7.055 -0.847) 7.192 14.584 ( -3.583 1.154 -0.307) 3.777 15.134 ( 4.088 -2.786 -0.251) 4.954 15.733 ( 1.673 -1.795 0.017) 2.454 16.140 ( 0.017 1.595 1.071) 1.921 18.213 ( 1.055 1.424 0.034) 1.773 18.960 ( -3.171 3.084 -0.701) 4.478 ======================= Grid point 910 (445/481) ======================= q-point: (-0.06 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 0.328 1.278 1.969) 2.370 3.191 ( -0.148 -0.802 0.297) 0.868 3.425 ( -2.145 0.059 1.268) 2.492 3.743 ( 4.143 1.788 -1.343) 4.708 4.100 ( -4.063 0.206 -4.539) 6.096 4.397 ( 1.393 2.567 1.954) 3.514 4.696 ( -1.257 -2.161 -2.775) 3.735 4.961 ( 1.953 6.692 7.709) 10.393 5.153 ( 1.834 -5.323 -0.498) 5.652 5.365 ( -3.649 -3.564 -0.064) 5.101 5.418 ( 3.909 -0.047 -4.898) 6.267 6.104 ( -1.321 -1.026 0.869) 1.885 6.237 ( 1.041 2.087 0.289) 2.350 6.420 ( -0.915 1.276 0.241) 1.588 8.377 ( -3.213 2.022 -0.046) 3.797 9.043 ( 5.530 -0.708 -0.244) 5.581 9.808 ( -3.807 2.777 -1.080) 4.834 10.159 ( 1.754 0.605 0.928) 2.074 11.471 ( -4.943 -1.116 7.915) 9.399 11.704 ( 3.764 1.004 -7.696) 8.626 12.998 ( 0.034 -1.275 0.017) 1.275 13.065 ( -0.131 0.512 -0.252) 0.586 13.356 ( 2.003 -0.434 -0.369) 2.083 13.377 ( -3.385 -0.927 1.088) 3.674 14.528 ( 2.439 4.481 -0.432) 5.120 15.206 ( -1.090 -4.007 -0.366) 4.169 15.771 ( 0.102 -1.252 0.211) 1.273 16.127 ( -0.014 -0.110 0.676) 0.685 18.203 ( 1.326 0.298 0.050) 1.360 18.897 ( -1.094 1.955 -0.357) 2.269 ======================= Grid point 919 (446/481) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 0.058 0.000 -1.283) 1.284 2.451 ( -2.434 -0.000 -1.004) 2.632 2.623 ( -2.283 -0.000 1.172) 2.566 2.711 ( 2.027 0.000 0.561) 2.103 3.051 ( -0.066 -0.000 0.553) 0.557 3.106 ( 8.130 0.000 12.248) 14.701 3.247 ( -3.548 -0.000 -0.214) 3.554 3.483 ( -4.979 -0.000 -7.871) 9.314 3.937 ( 1.770 0.000 -1.971) 2.649 4.284 ( -2.618 -0.000 -8.135) 8.546 5.350 ( -1.007 -0.000 1.500) 1.806 5.910 ( 6.071 0.000 8.329) 10.307 6.477 ( 0.017 0.000 0.076) 0.078 6.835 ( 0.465 0.000 4.727) 4.750 7.834 ( 0.315 0.000 -11.385) 11.389 8.284 ( -2.237 -0.000 -0.451) 2.282 8.759 ( 0.041 0.000 -0.205) 0.209 9.168 ( -1.464 -0.000 -6.151) 6.323 11.070 ( -0.221 -0.000 1.541) 1.557 11.898 ( -6.093 -0.000 1.429) 6.259 12.001 ( 8.403 0.000 1.095) 8.474 12.745 ( -1.689 -0.000 3.518) 3.902 12.947 ( -0.118 -0.000 0.340) 0.360 13.092 ( 0.087 0.000 -0.229) 0.245 14.375 ( 1.134 0.000 -7.086) 7.176 15.651 ( 0.231 0.000 -1.485) 1.503 16.435 ( -0.004 -0.000 -0.025) 0.025 16.969 ( -1.127 -0.000 2.135) 2.415 17.953 ( 0.012 0.000 0.007) 0.014 18.144 ( 1.736 0.000 2.940) 3.414 ======================= Grid point 920 (447/481) ======================= q-point: (-0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -4.108 -15.675 -0.718) 16.220 2.510 ( -7.897 -3.704 2.280) 9.016 2.736 ( -5.033 -17.127 -1.259) 17.896 2.857 ( -1.974 -15.118 0.975) 15.278 3.054 ( 7.935 -0.813 1.457) 8.108 3.259 ( -1.191 -3.507 0.784) 3.786 3.321 ( 8.604 -9.882 7.920) 15.311 3.441 ( -2.389 -0.715 -6.496) 6.959 3.924 ( 2.686 1.951 -2.075) 3.915 4.222 ( -7.593 0.652 -4.478) 8.839 5.369 ( 1.994 -1.022 1.744) 2.839 5.923 ( 1.650 2.650 2.010) 3.712 6.619 ( 0.381 -13.598 0.237) 13.605 6.815 ( 1.324 3.366 3.301) 4.897 7.752 ( -0.280 4.721 -8.133) 9.408 8.287 ( -1.731 -1.351 1.445) 2.629 8.796 ( 0.187 -2.499 -1.913) 3.153 9.257 ( -0.877 -12.514 -1.906) 12.688 11.097 ( 1.469 -2.273 1.091) 2.918 11.800 ( -10.455 3.385 1.335) 11.070 12.040 ( 13.543 3.186 -0.943) 13.945 12.670 ( -2.416 7.839 3.436) 8.894 13.142 ( -0.338 -18.510 0.917) 18.536 13.216 ( 0.891 -12.261 -0.430) 12.301 14.331 ( 0.993 2.776 -5.805) 6.510 15.368 ( -0.166 23.898 -0.891) 23.915 16.440 ( -0.178 0.956 0.417) 1.058 17.198 ( -3.641 -19.194 1.803) 19.620 17.543 ( 3.195 26.105 0.066) 26.300 18.496 ( 0.608 -19.498 0.476) 19.513 ======================= Grid point 921 (448/481) ======================= q-point: (-0.38 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -7.501 -20.336 0.273) 21.677 2.545 ( -14.300 -9.558 2.911) 17.445 2.960 ( -7.284 -9.697 -4.985) 13.112 3.154 ( 4.425 -9.817 0.888) 10.805 3.340 ( 6.247 -23.721 1.883) 24.602 3.370 ( 0.362 -9.859 2.300) 10.130 3.476 ( 2.536 -7.007 -1.964) 7.706 3.610 ( 6.457 -13.038 5.953) 15.720 3.895 ( 3.803 1.463 -4.585) 6.134 4.172 ( -8.907 -2.622 -1.232) 9.367 5.420 ( 2.548 -2.324 2.523) 4.273 5.855 ( -2.486 3.670 -3.709) 5.779 6.722 ( -2.610 3.393 0.586) 4.320 6.960 ( 4.000 -14.493 1.746) 15.136 7.649 ( 0.451 1.449 -3.796) 4.088 8.327 ( -1.961 -3.304 3.148) 4.967 8.813 ( 1.114 0.052 -2.555) 2.788 9.590 ( -1.468 -22.228 0.075) 22.277 11.191 ( 2.258 -6.524 0.895) 6.961 11.713 ( -7.626 -0.125 -0.071) 7.628 12.045 ( 12.004 3.228 -1.678) 12.543 12.463 ( -3.417 13.092 3.504) 13.977 13.463 ( -2.466 -14.133 -0.260) 14.349 13.584 ( 2.282 -23.821 1.255) 23.963 14.273 ( 2.441 1.152 -4.665) 5.390 14.904 ( -0.392 23.248 -0.491) 23.257 16.397 ( 0.125 3.664 1.350) 3.907 16.974 ( -3.537 26.607 0.894) 26.856 17.645 ( 3.403 -18.984 -0.396) 19.291 18.806 ( -0.559 -13.594 -1.090) 13.649 ======================= Grid point 922 (449/481) ======================= q-point: (-0.31 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -18.189 -11.381 1.422) 21.503 2.802 ( -10.881 -11.365 1.357) 15.792 3.108 ( 2.479 -12.817 -2.760) 13.343 3.310 ( 1.842 -5.450 2.418) 6.240 3.573 ( -4.175 -11.531 -4.357) 13.015 3.654 ( 5.277 -13.579 0.454) 14.575 3.857 ( 4.135 -10.422 0.985) 11.256 3.901 ( 1.943 -13.763 3.353) 14.298 3.961 ( 8.303 -15.059 0.619) 17.207 4.263 ( -4.738 -13.220 -1.053) 14.083 5.503 ( 1.825 -4.152 3.024) 5.451 5.750 ( -4.343 3.191 -6.050) 8.102 6.628 ( -3.191 4.061 -3.621) 6.307 7.084 ( 1.347 5.082 5.711) 7.762 7.825 ( 3.514 -19.962 -2.188) 20.387 8.408 ( -4.250 -5.490 5.593) 8.916 8.809 ( 3.221 -0.073 -3.345) 4.644 10.000 ( -2.728 -21.411 -0.536) 21.591 11.363 ( 0.590 -9.731 1.302) 9.836 11.723 ( -3.738 -4.138 -1.327) 5.733 12.068 ( 9.597 -0.457 -2.005) 9.814 12.203 ( -2.447 12.307 3.262) 12.965 13.597 ( -5.979 -1.848 -0.029) 6.258 14.007 ( 2.292 -16.710 0.542) 16.876 14.353 ( 5.558 -8.511 -3.358) 10.706 14.540 ( -0.323 12.896 0.460) 12.909 16.321 ( -0.228 5.311 1.948) 5.662 16.487 ( -0.206 23.039 0.612) 23.048 17.964 ( 1.655 -13.177 -0.659) 13.297 18.990 ( -2.302 -7.668 -2.244) 8.314 ======================= Grid point 923 (450/481) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -14.174 -9.777 -3.131) 17.502 2.877 ( -10.173 -5.354 9.099) 14.661 3.296 ( -0.018 -4.660 -2.478) 5.278 3.497 ( 3.985 -11.342 -2.274) 12.235 3.713 ( -7.082 -8.718 -2.667) 11.544 3.880 ( 0.585 -10.157 -0.477) 10.186 4.086 ( 9.377 -13.486 0.611) 16.437 4.157 ( -1.334 -13.027 0.584) 13.108 4.341 ( 5.222 -16.302 2.947) 17.369 4.590 ( 2.338 -19.609 -0.272) 19.749 5.617 ( 0.335 -5.763 4.438) 7.281 5.661 ( -3.239 1.321 -6.785) 7.633 6.508 ( -4.964 4.109 -7.843) 10.150 6.945 ( 1.804 11.196 8.979) 14.464 8.260 ( 4.690 -20.197 -0.627) 20.744 8.501 ( -9.511 -7.164 5.194) 12.991 8.869 ( 6.674 -5.504 -3.965) 9.516 10.315 ( -3.622 -14.025 -1.676) 14.582 11.531 ( -1.274 -7.250 0.973) 7.425 11.714 ( -2.742 5.549 1.181) 6.301 12.098 ( 0.514 -3.805 -1.957) 4.310 12.215 ( 7.104 -10.854 0.674) 12.990 13.517 ( -6.489 4.388 0.085) 7.834 14.071 ( 3.852 10.560 -0.150) 11.242 14.450 ( -2.948 -8.149 -3.141) 9.217 14.667 ( 6.055 -13.999 2.149) 15.403 16.073 ( 0.481 16.837 -0.660) 16.856 16.278 ( 1.776 4.575 3.316) 5.923 18.153 ( 0.878 -6.643 -0.627) 6.730 19.060 ( -4.086 -2.830 -2.624) 5.620 ======================= Grid point 924 (451/481) ======================= q-point: (-0.19 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -7.162 -3.830 -1.327) 8.229 2.988 ( -7.748 -7.876 8.695) 14.059 3.338 ( -2.610 -2.225 -0.898) 3.546 3.654 ( 1.839 -5.858 -6.447) 8.903 3.814 ( -7.391 -7.688 -3.010) 11.081 4.107 ( 2.178 -11.358 2.702) 11.876 4.359 ( -2.309 -11.234 -0.468) 11.479 4.418 ( 6.002 -15.144 -0.912) 16.316 4.662 ( 4.399 -14.017 2.170) 14.851 4.934 ( 6.050 -13.576 0.721) 14.881 5.598 ( -3.401 1.493 -1.851) 4.150 5.764 ( 0.976 -7.903 0.672) 7.991 6.375 ( -5.922 3.555 -8.083) 10.632 6.779 ( 2.187 10.503 8.044) 13.409 8.431 ( -6.190 -0.908 3.663) 7.249 8.743 ( 3.466 -17.056 -2.001) 17.519 9.057 ( 2.427 -11.764 -2.353) 12.240 10.464 ( -3.616 -4.796 -2.186) 6.392 11.556 ( -4.247 6.620 9.192) 12.098 11.643 ( 2.237 -3.787 -7.394) 8.603 12.264 ( -0.037 -12.787 -1.042) 12.829 12.522 ( 4.257 -15.822 0.303) 16.388 13.416 ( -4.923 1.990 0.504) 5.334 13.860 ( 4.217 12.665 -0.674) 13.365 14.539 ( -6.397 -3.902 -0.969) 7.555 14.946 ( 6.999 -10.295 1.022) 12.491 15.831 ( 2.884 9.432 -0.975) 9.911 16.229 ( 1.154 3.120 3.155) 4.585 18.231 ( 0.519 -1.854 -0.357) 1.958 19.044 ( -5.095 0.458 -2.294) 5.606 ======================= Grid point 925 (452/481) ======================= q-point: (-0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( -3.127 -1.488 0.995) 3.603 3.105 ( -3.132 -5.169 4.666) 7.636 3.359 ( -4.245 -2.416 0.729) 4.939 3.731 ( 3.072 -3.006 -4.512) 6.232 3.903 ( -8.124 -8.077 -4.045) 12.148 4.299 ( 1.119 -7.176 1.455) 7.407 4.523 ( -1.820 -7.642 0.444) 7.868 4.727 ( 3.614 -15.000 -3.062) 15.730 4.918 ( 3.154 -9.437 4.221) 10.808 5.167 ( 7.314 -7.156 0.402) 10.241 5.534 ( -2.407 3.180 -1.881) 4.410 5.920 ( 0.574 -7.595 0.911) 7.671 6.272 ( -5.489 1.310 -4.559) 7.254 6.632 ( 1.750 8.676 3.879) 9.664 8.399 ( -7.035 0.084 1.218) 7.140 9.007 ( 9.752 -5.982 -1.356) 11.521 9.306 ( -4.742 -16.902 -2.196) 17.692 10.447 ( -2.580 3.669 -1.613) 4.766 11.472 ( -3.153 2.762 8.227) 9.233 11.691 ( 2.008 -2.259 -7.038) 7.660 12.537 ( -0.028 -16.006 -0.509) 16.014 12.797 ( 1.521 -11.136 0.581) 11.254 13.399 ( -2.706 -1.462 1.024) 3.242 13.656 ( 4.044 11.331 -0.929) 12.067 14.535 ( -7.823 -1.351 -0.106) 7.939 15.123 ( 7.315 -3.836 0.074) 8.260 15.743 ( 3.207 2.144 -0.536) 3.895 16.188 ( 0.386 2.798 2.185) 3.571 18.240 ( 0.360 0.717 -0.069) 0.805 18.982 ( -4.765 1.975 -1.601) 5.400 ======================= Grid point 926 (453/481) ======================= q-point: (-0.06 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -1.333 -0.190 1.448) 1.978 3.171 ( -0.197 -1.926 1.427) 2.405 3.387 ( -3.876 -2.446 1.943) 4.978 3.772 ( 4.181 -0.491 -2.744) 5.025 3.993 ( -5.846 -6.806 -3.549) 9.648 4.401 ( 0.152 -2.994 0.521) 3.043 4.625 ( -1.315 -4.114 0.232) 4.326 4.986 ( 1.972 -12.011 -4.571) 13.002 5.058 ( 1.807 -1.382 6.978) 7.339 5.293 ( 2.759 -2.697 1.209) 4.043 5.455 ( 0.909 2.666 -3.555) 4.536 6.046 ( 0.139 -4.906 1.121) 5.035 6.234 ( -3.725 -0.975 -0.899) 3.954 6.501 ( 1.180 6.694 0.120) 6.798 8.368 ( -4.514 -0.278 0.105) 4.524 9.080 ( 5.314 0.940 -0.763) 5.450 9.605 ( -2.745 -16.641 -2.113) 16.998 10.304 ( -1.048 9.238 -0.215) 9.299 11.458 ( -4.030 -0.031 8.369) 9.288 11.705 ( 2.956 -0.419 -7.631) 8.194 12.830 ( 0.725 -14.187 -0.348) 14.209 12.974 ( -0.463 -7.641 0.733) 7.690 13.396 ( -1.143 1.767 1.314) 2.480 13.477 ( 2.742 9.409 -1.077) 9.859 14.529 ( -5.607 -2.349 -0.158) 6.081 15.188 ( 5.302 0.166 -0.307) 5.314 15.754 ( 1.976 -0.938 0.020) 2.188 16.147 ( -0.132 1.964 1.145) 2.277 18.222 ( 0.228 1.092 0.056) 1.117 18.918 ( -2.924 1.718 -0.878) 3.503 ======================= Grid point 936 (454/481) ======================= q-point: (-0.44 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -9.982 -0.000 -0.296) 9.986 2.477 ( 5.493 0.000 2.178) 5.909 2.492 ( -19.691 -0.000 2.535) 19.854 2.691 ( -4.167 -0.000 -1.941) 4.597 3.068 ( 2.155 0.000 0.137) 2.160 3.220 ( 0.798 0.000 -2.114) 2.259 3.289 ( 7.169 0.000 -2.736) 7.674 3.463 ( 8.944 0.000 8.094) 12.063 3.954 ( 2.810 0.000 -2.040) 3.472 4.157 ( -12.830 -0.000 -1.280) 12.894 5.390 ( 5.524 0.000 1.843) 5.823 5.946 ( -2.645 -0.000 -4.293) 5.042 6.492 ( 2.556 0.000 0.006) 2.556 6.864 ( 0.877 0.000 1.220) 1.502 7.773 ( -1.027 -0.000 -4.677) 4.788 8.277 ( -0.645 -0.000 2.760) 2.834 8.759 ( 0.076 0.000 -0.117) 0.139 9.134 ( -0.536 -0.000 -0.540) 0.761 11.096 ( 3.266 0.000 0.814) 3.365 11.770 ( -12.791 -0.000 0.805) 12.816 12.167 ( 16.684 0.000 -2.465) 16.866 12.751 ( -1.414 -0.000 3.145) 3.449 12.948 ( -0.057 -0.000 0.253) 0.259 13.090 ( -0.226 -0.000 -0.180) 0.289 14.347 ( 0.460 0.000 -3.951) 3.978 15.642 ( -0.424 -0.000 -0.801) 0.906 16.436 ( 0.109 0.000 -0.004) 0.109 16.964 ( -2.125 -0.000 1.962) 2.892 17.953 ( -0.066 -0.000 -0.012) 0.067 18.169 ( 1.323 0.000 -0.838) 1.566 ======================= Grid point 937 (455/481) ======================= q-point: (-0.38 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -10.409 -17.820 0.880) 20.656 2.357 ( -21.292 -0.863 2.570) 21.464 2.688 ( -0.357 -13.098 -1.290) 13.166 2.824 ( -3.020 -17.252 0.318) 17.517 3.142 ( 5.345 -6.782 -0.292) 8.640 3.251 ( -0.916 -4.068 -3.980) 5.765 3.352 ( 2.098 -5.059 -0.864) 5.544 3.589 ( 15.937 -2.265 9.737) 18.813 3.940 ( 3.526 2.190 -4.232) 5.928 4.079 ( -14.576 -0.430 3.095) 14.907 5.434 ( 6.383 -0.125 2.550) 6.875 5.867 ( -6.492 2.518 -9.791) 12.014 6.630 ( 1.201 -10.586 -0.038) 10.654 6.848 ( 2.764 0.616 -1.122) 3.047 7.715 ( -1.292 4.220 0.262) 4.421 8.295 ( -0.099 -1.035 3.906) 4.042 8.795 ( 0.626 -2.311 0.046) 2.395 9.244 ( -1.158 -12.305 1.314) 12.429 11.138 ( 4.579 -2.029 0.649) 5.051 11.680 ( -9.877 1.598 -0.013) 10.005 12.193 ( 14.398 4.887 -4.125) 15.754 12.661 ( -3.175 8.553 3.655) 9.828 13.142 ( -0.596 -17.160 0.616) 17.181 13.227 ( 1.910 -14.136 -0.869) 14.291 14.314 ( 0.910 2.367 -2.290) 3.417 15.357 ( -1.059 23.860 -0.394) 23.887 16.449 ( 0.671 0.633 1.206) 1.519 17.145 ( -7.022 -12.761 1.418) 14.634 17.593 ( 5.722 19.456 -1.349) 20.325 18.491 ( -0.497 -18.972 -2.353) 19.123 ======================= Grid point 938 (456/481) ======================= q-point: (-0.31 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -21.258 -8.447 1.352) 22.915 2.405 ( -11.107 -22.296 1.926) 24.983 2.893 ( -2.513 -11.182 -0.196) 11.463 3.146 ( -1.683 -13.817 -0.867) 13.947 3.331 ( -3.011 -8.117 -7.167) 11.239 3.412 ( 3.233 -16.297 -0.542) 16.623 3.558 ( 6.526 -15.807 7.650) 18.734 3.787 ( 13.083 -7.584 3.079) 15.433 3.906 ( 4.823 1.134 -4.595) 6.757 4.054 ( -12.295 -4.216 6.491) 14.528 5.486 ( 5.400 -0.906 2.617) 6.069 5.738 ( -8.113 2.319 -11.066) 13.916 6.668 ( -4.050 3.225 -4.157) 6.640 7.039 ( 6.363 -13.104 2.429) 14.769 7.646 ( -0.130 0.376 2.076) 2.114 8.343 ( -0.580 -2.487 6.177) 6.684 8.821 ( 1.459 0.138 0.292) 1.495 9.565 ( -2.957 -21.471 0.025) 21.673 11.235 ( 3.908 -5.378 1.118) 6.741 11.633 ( -4.763 -1.886 -0.944) 5.209 12.157 ( 10.777 4.355 -6.496) 13.316 12.448 ( -3.831 12.816 5.518) 14.470 13.419 ( -4.670 -12.620 -0.516) 13.466 13.626 ( 4.357 -23.286 -0.511) 23.696 14.291 ( 3.788 -0.634 -0.485) 3.871 14.893 ( -1.122 22.867 -0.127) 22.895 16.416 ( 0.950 3.762 2.571) 4.655 16.925 ( -5.610 22.866 0.754) 23.556 17.689 ( 5.342 -15.975 -1.888) 16.950 18.773 ( -2.350 -13.059 -3.989) 13.856 ======================= Grid point 939 (457/481) ======================= q-point: (-0.25 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -18.773 -13.103 -0.476) 22.899 2.688 ( -13.353 -12.154 6.964) 19.353 3.129 ( 2.538 -13.148 -1.563) 13.481 3.312 ( -1.802 -7.849 -1.112) 8.130 3.477 ( -4.698 -11.232 -5.876) 13.519 3.685 ( -0.135 -11.940 0.191) 11.942 3.882 ( 2.150 -10.558 -3.772) 11.416 4.007 ( 9.491 -7.892 1.784) 12.471 4.109 ( 11.976 -15.206 8.734) 21.235 4.182 ( -8.748 -18.684 1.366) 20.675 5.549 ( 3.601 -2.780 -1.829) 4.904 5.634 ( -6.713 0.779 -4.917) 8.357 6.541 ( -4.749 4.948 -7.345) 10.049 7.159 ( 2.093 5.613 9.032) 10.838 7.855 ( 3.807 -20.904 -1.881) 21.331 8.410 ( -3.617 -2.610 8.593) 9.682 8.833 ( 3.688 -1.089 -1.667) 4.192 9.951 ( -4.349 -20.932 -1.757) 21.451 11.380 ( 0.571 -7.722 1.407) 7.870 11.688 ( -0.897 -4.856 -0.849) 5.011 12.112 ( 3.186 3.109 -8.014) 9.168 12.238 ( 3.112 7.924 6.623) 10.786 13.511 ( -8.299 -1.475 -0.581) 8.449 14.039 ( 3.498 -16.438 -1.305) 16.856 14.416 ( 7.453 -4.892 -0.664) 8.940 14.541 ( -0.865 9.234 1.888) 9.464 16.331 ( -0.674 7.841 2.115) 8.149 16.496 ( 0.710 18.702 1.609) 18.785 17.980 ( 2.396 -12.257 -1.627) 12.594 18.928 ( -4.460 -7.383 -4.758) 9.851 ======================= Grid point 940 (458/481) ======================= q-point: (-0.19 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -12.060 -12.974 -1.788) 17.803 2.816 ( -12.444 -8.027 12.087) 19.116 3.274 ( -0.663 -3.698 -3.238) 4.960 3.473 ( -4.123 -10.128 -5.887) 12.419 3.634 ( -1.285 -8.228 -4.309) 9.376 3.897 ( 1.016 -12.855 3.313) 13.314 4.103 ( -2.261 -12.883 -3.575) 13.559 4.228 ( 8.595 -10.011 1.243) 13.253 4.420 ( 3.710 -15.205 3.639) 16.068 4.628 ( 3.797 -22.104 2.669) 22.586 5.565 ( -3.817 -1.393 -8.830) 9.720 5.658 ( 1.475 -4.317 4.833) 6.646 6.392 ( -5.188 4.801 -8.427) 10.999 7.025 ( 0.860 11.106 9.463) 14.616 8.313 ( 5.553 -22.538 -2.236) 23.319 8.432 ( -8.917 -1.786 6.955) 11.449 8.922 ( 6.199 -6.012 -2.422) 8.969 10.250 ( -4.886 -14.164 -2.904) 15.262 11.522 ( -0.468 -6.731 -0.328) 6.756 11.694 ( -3.194 4.671 3.111) 6.457 12.088 ( 1.195 -4.680 -3.731) 6.103 12.305 ( 7.155 -8.799 0.761) 11.366 13.432 ( -7.921 2.917 -0.138) 8.442 14.117 ( 4.239 10.672 -0.208) 11.485 14.401 ( -2.318 -6.114 -2.512) 7.005 14.756 ( 6.295 -14.065 2.948) 15.689 16.075 ( 0.879 14.863 -1.002) 14.922 16.330 ( 2.503 5.574 4.486) 7.580 18.158 ( 0.988 -6.347 -1.058) 6.510 18.978 ( -5.922 -3.094 -4.380) 7.989 ======================= Grid point 941 (459/481) ======================= q-point: (-0.12 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -5.686 -7.504 -0.726) 9.443 2.954 ( -9.296 -9.212 10.944) 17.061 3.305 ( -1.435 -1.825 -1.934) 3.022 3.596 ( -5.497 -9.120 -4.731) 11.652 3.729 ( -1.178 -5.131 -6.347) 8.246 4.155 ( 2.466 -9.850 2.143) 10.378 4.318 ( -2.702 -13.370 -0.558) 13.651 4.476 ( 3.649 -12.264 -1.091) 12.842 4.732 ( 5.210 -13.568 2.231) 14.704 5.013 ( 5.721 -14.831 2.517) 16.094 5.538 ( -3.738 0.085 -3.470) 5.102 5.789 ( 1.940 -7.126 1.367) 7.511 6.259 ( -5.183 3.119 -6.761) 9.072 6.844 ( 0.385 11.148 6.596) 12.959 8.377 ( -6.778 1.361 3.464) 7.732 8.773 ( 3.936 -21.701 -2.343) 22.179 9.074 ( 3.056 -6.880 -1.974) 7.783 10.398 ( -4.528 -5.763 -2.903) 7.883 11.564 ( -5.512 5.262 10.186) 12.721 11.626 ( 4.023 -3.155 -8.140) 9.613 12.256 ( 0.117 -12.856 -1.597) 12.955 12.575 ( 4.409 -13.937 0.141) 14.619 13.358 ( -5.537 0.028 0.522) 5.562 13.907 ( 4.562 12.771 -0.710) 13.580 14.460 ( -6.419 -2.412 -0.472) 6.873 15.036 ( 7.090 -10.202 1.301) 12.491 15.862 ( 3.584 8.673 -1.152) 9.455 16.267 ( 1.226 4.214 3.712) 5.748 18.232 ( 0.097 -1.857 -0.437) 1.910 18.960 ( -5.976 -0.406 -3.271) 6.824 ======================= Grid point 942 (460/481) ======================= q-point: (-0.06 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -3.063 -3.102 0.467) 4.384 3.098 ( -4.183 -6.592 6.154) 9.940 3.325 ( -1.939 -2.019 0.017) 2.800 3.736 ( 0.914 -7.418 -1.687) 7.662 3.787 ( -4.872 -6.311 -6.418) 10.235 4.306 ( -0.530 -6.404 -1.196) 6.536 4.522 ( -0.352 -7.522 3.480) 8.296 4.727 ( 0.566 -14.133 -4.460) 14.830 4.983 ( 3.791 -9.009 3.299) 10.316 5.258 ( 6.443 -6.556 2.467) 9.517 5.487 ( -2.950 2.013 -2.552) 4.390 5.941 ( 2.030 -7.051 0.719) 7.373 6.183 ( -4.906 -0.165 -3.233) 5.878 6.664 ( 0.154 9.621 2.291) 9.891 8.334 ( -5.226 -0.057 0.987) 5.319 9.103 ( 7.841 -3.953 -1.193) 8.862 9.234 ( -4.236 -17.802 -2.786) 18.510 10.400 ( -3.288 2.029 -1.893) 4.303 11.489 ( -4.060 2.804 9.412) 10.627 11.674 ( 3.675 -2.003 -8.030) 9.055 12.535 ( 0.294 -16.504 -0.676) 16.520 12.818 ( 1.377 -9.715 0.521) 9.826 13.375 ( -2.528 -3.039 1.086) 4.100 13.699 ( 4.386 11.905 -0.976) 12.725 14.441 ( -8.395 -1.453 0.152) 8.521 15.209 ( 7.359 -3.284 0.125) 8.059 15.779 ( 3.587 2.555 -0.515) 4.434 16.206 ( 0.053 3.703 2.272) 4.344 18.239 ( -0.617 0.580 -0.050) 0.849 18.916 ( -4.448 0.609 -1.984) 4.908 ======================= Grid point 953 (461/481) ======================= q-point: (-0.38 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -15.115 -0.000 2.339) 15.295 2.245 ( -24.700 -0.000 2.876) 24.867 2.565 ( 2.281 0.000 -0.553) 2.347 2.621 ( -1.010 -0.000 0.701) 1.229 3.091 ( 1.892 0.000 -0.892) 2.091 3.186 ( -0.578 -0.000 -7.436) 7.459 3.322 ( 0.029 0.000 4.939) 4.940 3.689 ( 14.898 0.000 3.590) 15.325 3.972 ( 3.874 0.000 -3.264) 5.066 4.014 ( -12.254 -0.000 8.183) 14.735 5.490 ( 8.445 0.000 3.150) 9.013 5.801 ( -9.890 -0.000 -15.336) 18.248 6.534 ( 4.611 0.000 -0.056) 4.612 6.860 ( -0.085 -0.000 -4.601) 4.602 7.757 ( -2.027 -0.000 5.325) 5.697 8.303 ( 1.335 0.000 4.184) 4.392 8.759 ( 0.106 0.000 -0.027) 0.110 9.145 ( -0.418 -0.000 4.983) 5.001 11.155 ( 6.221 0.000 0.479) 6.239 11.641 ( -9.155 -0.000 -0.138) 9.156 12.325 ( 14.690 0.000 -6.198) 15.944 12.752 ( -1.656 -0.000 2.549) 3.039 12.949 ( -0.008 -0.000 0.162) 0.162 13.084 ( -0.493 -0.000 -0.129) 0.510 14.337 ( 0.487 0.000 -0.233) 0.540 15.629 ( -1.367 -0.000 -0.024) 1.367 16.438 ( 0.203 0.000 0.013) 0.203 16.945 ( -3.422 -0.000 1.866) 3.897 17.951 ( -0.132 -0.000 -0.027) 0.134 18.163 ( 1.169 0.000 -5.540) 5.662 ======================= Grid point 954 (462/481) ======================= q-point: (-0.31 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -13.780 -20.467 3.881) 24.977 2.099 ( -24.234 -0.730 2.411) 24.365 2.652 ( -4.761 -10.917 -2.315) 12.133 2.835 ( 3.506 -16.143 2.660) 16.732 3.171 ( 0.096 -7.818 -1.716) 8.005 3.193 ( -1.560 -4.418 -5.569) 7.278 3.396 ( -1.732 -7.074 7.428) 10.403 3.756 ( 6.403 -1.016 -7.644) 10.023 3.965 ( 2.256 1.620 0.453) 2.814 4.010 ( 0.435 0.022 13.118) 13.126 5.539 ( 7.968 1.111 1.559) 8.195 5.671 ( -10.780 1.047 -14.589) 18.170 6.638 ( 0.501 -4.345 -1.745) 4.710 6.861 ( 3.365 -5.566 -5.302) 8.391 7.724 ( -2.338 4.276 8.231) 9.565 8.338 ( 2.030 -0.885 5.770) 6.180 8.809 ( 0.758 -3.185 1.603) 3.645 9.243 ( -2.257 -10.013 3.965) 11.003 11.209 ( 6.391 -1.485 0.919) 6.625 11.590 ( -4.597 0.170 -0.439) 4.621 12.297 ( 10.655 6.432 -9.562) 15.695 12.650 ( -3.653 8.867 5.359) 10.986 13.133 ( -1.609 -14.483 0.225) 14.573 13.249 ( 3.395 -17.160 -2.012) 17.608 14.326 ( 1.658 1.495 1.732) 2.825 15.337 ( -2.261 23.861 0.150) 23.969 16.471 ( 1.211 -0.283 2.170) 2.501 17.060 ( -8.792 -7.125 1.014) 11.362 17.652 ( 6.741 13.398 -2.924) 15.280 18.450 ( -1.765 -18.065 -6.051) 19.133 ======================= Grid point 955 (463/481) ======================= q-point: (-0.25 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -21.011 -8.796 1.866) 22.854 2.295 ( -12.741 -23.216 6.208) 27.201 2.868 ( -2.902 -14.322 0.663) 14.628 3.135 ( -0.017 -12.231 0.149) 12.232 3.232 ( -4.846 -6.926 -8.014) 11.648 3.425 ( 0.411 -15.384 -1.480) 15.460 3.653 ( -3.372 -19.060 9.094) 21.386 3.780 ( -0.657 -4.526 -11.059) 11.967 3.982 ( 2.467 -2.869 2.538) 4.556 4.103 ( 10.647 -1.941 12.260) 16.353 5.509 ( -3.699 0.171 -16.283) 16.698 5.616 ( 1.311 0.285 5.826) 5.978 6.581 ( -4.509 4.381 -6.810) 9.269 7.127 ( 6.819 -14.060 0.653) 15.640 7.667 ( -1.694 0.485 6.701) 6.929 8.395 ( 1.250 -1.448 8.411) 8.626 8.847 ( 1.309 0.329 2.420) 2.771 9.522 ( -4.376 -20.008 -0.155) 20.482 11.289 ( 3.348 -3.596 1.601) 5.168 11.605 ( 1.374 -3.108 -0.728) 3.475 12.189 ( 5.288 5.842 -11.976) 14.336 12.459 ( -1.983 10.975 8.068) 13.765 13.349 ( -6.476 -10.112 -0.757) 12.031 13.675 ( 6.230 -22.876 -3.350) 23.945 14.354 ( 4.818 -2.915 3.939) 6.872 14.875 ( -2.029 22.244 0.172) 22.337 16.449 ( 0.894 4.206 3.728) 5.691 16.861 ( -6.055 18.184 1.001) 19.192 17.741 ( 6.512 -13.014 -3.486) 14.964 18.696 ( -4.417 -12.477 -7.520) 15.222 ======================= Grid point 956 (464/481) ======================= q-point: (-0.19 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -14.834 -15.166 1.446) 21.264 2.585 ( -14.966 -13.382 11.571) 23.172 3.137 ( 1.003 -12.046 -1.915) 12.238 3.231 ( -7.470 -7.225 -7.275) 12.686 3.429 ( 1.271 -12.931 -2.923) 13.318 3.671 ( -1.744 -11.971 0.204) 12.099 3.868 ( 0.949 -9.139 -5.893) 10.916 4.044 ( -9.455 -20.013 3.501) 22.410 4.150 ( 5.751 -11.294 1.981) 12.828 4.324 ( 13.070 -12.291 8.800) 19.983 5.457 ( -4.093 -2.894 -14.252) 15.108 5.653 ( 2.901 -0.233 7.430) 7.980 6.434 ( -4.411 5.376 -7.958) 10.568 7.238 ( 1.141 6.342 8.392) 10.580 7.884 ( 2.777 -21.336 -0.962) 21.538 8.437 ( -2.140 0.692 9.662) 9.920 8.871 ( 3.788 -2.145 -0.207) 4.358 9.880 ( -5.208 -20.314 -2.436) 21.111 11.396 ( 0.817 -6.054 1.177) 6.222 11.689 ( 0.625 -3.422 0.785) 3.566 12.076 ( 1.595 3.418 -8.980) 9.740 12.322 ( 3.788 5.052 4.971) 8.036 13.402 ( -9.326 -1.303 -1.174) 9.490 14.070 ( 4.625 -15.608 -3.227) 16.596 14.497 ( 4.811 11.862 -1.051) 12.843 14.558 ( 1.564 -7.695 5.581) 9.633 16.328 ( -1.817 10.779 1.176) 10.994 16.531 ( 2.260 13.491 3.848) 14.210 17.998 ( 3.020 -11.123 -2.516) 11.797 18.824 ( -6.474 -7.529 -7.463) 12.421 ======================= Grid point 957 (465/481) ======================= q-point: (-0.12 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -7.891 -15.406 0.618) 17.320 2.752 ( -13.572 -9.933 14.476) 22.190 3.232 ( -2.945 -4.314 -4.288) 6.758 3.361 ( -6.002 -9.565 -5.683) 12.642 3.606 ( 1.896 -6.524 -7.470) 10.098 3.948 ( 2.358 -16.449 5.459) 17.491 4.040 ( -2.497 -10.965 -6.044) 12.767 4.290 ( 0.148 -10.569 0.935) 10.611 4.477 ( 3.253 -17.779 3.083) 18.336 4.721 ( 7.025 -18.887 4.732) 20.699 5.466 ( -2.865 -3.587 -8.563) 9.716 5.712 ( 2.045 -2.786 4.674) 5.813 6.288 ( -3.389 4.910 -7.086) 9.263 7.082 ( -1.262 11.524 7.944) 14.054 8.334 ( -1.441 -21.295 -0.226) 21.345 8.410 ( -0.564 0.092 4.243) 4.282 8.979 ( 5.591 -5.909 -1.052) 8.202 10.169 ( -5.273 -14.259 -3.311) 15.559 11.520 ( 0.906 -5.919 -0.675) 6.026 11.678 ( -3.781 3.923 4.072) 6.802 12.078 ( 2.103 -5.139 -4.984) 7.461 12.386 ( 5.790 -7.749 0.745) 9.702 13.335 ( -8.392 1.238 -0.631) 8.507 14.164 ( 3.904 10.269 -0.219) 10.988 14.363 ( -1.806 -3.626 -1.905) 4.476 14.850 ( 6.304 -13.823 3.362) 15.560 16.081 ( 1.365 12.742 -1.166) 12.868 16.392 ( 2.487 6.796 5.308) 8.974 18.161 ( 0.902 -5.856 -1.296) 6.065 18.868 ( -6.924 -4.033 -6.002) 10.011 ======================= Grid point 958 (466/481) ======================= q-point: (-0.06 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -3.539 -9.026 -0.132) 9.696 2.920 ( -9.924 -10.551 12.463) 19.109 3.282 ( -0.053 -2.710 -2.179) 3.477 3.488 ( -7.247 -11.172 -3.623) 13.801 3.689 ( 1.756 -4.603 -7.859) 9.275 4.162 ( -0.973 -7.576 -3.554) 8.424 4.322 ( 2.038 -16.394 3.536) 16.894 4.478 ( -1.876 -10.185 -0.923) 10.397 4.810 ( 5.308 -13.478 2.478) 14.696 5.094 ( 4.592 -15.246 2.843) 16.174 5.472 ( -3.322 -0.703 -3.646) 4.982 5.823 ( 2.279 -6.615 1.097) 7.082 6.175 ( -2.386 3.052 -4.296) 5.785 6.871 ( -2.290 11.724 4.520) 12.772 8.326 ( -5.469 2.034 3.054) 6.586 8.796 ( 2.775 -22.600 -3.063) 22.975 9.103 ( 3.730 -3.754 -1.259) 5.440 10.324 ( -4.714 -6.639 -2.978) 8.670 11.562 ( -6.365 3.250 10.041) 12.324 11.631 ( 5.893 -1.769 -7.792) 9.929 12.246 ( 0.293 -13.065 -1.875) 13.202 12.623 ( 3.755 -12.341 -0.138) 12.900 13.296 ( -5.627 -2.291 0.347) 6.085 13.955 ( 4.545 12.746 -0.631) 13.547 14.385 ( -6.248 -0.570 -0.057) 6.275 15.127 ( 6.914 -10.033 1.399) 12.265 15.898 ( 3.904 7.902 -1.133) 8.886 16.303 ( 0.649 5.555 3.836) 6.782 18.226 ( -0.701 -1.626 -0.411) 1.818 18.867 ( -5.577 -1.881 -3.971) 7.100 ======================= Grid point 970 (467/481) ======================= q-point: (-0.31 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -17.744 -0.000 6.073) 18.754 1.982 ( -24.396 -0.000 5.017) 24.907 2.476 ( -6.722 -0.000 -5.604) 8.752 2.724 ( 8.128 0.000 5.204) 9.651 3.094 ( 0.286 0.000 -2.212) 2.230 3.113 ( -8.636 -0.000 0.640) 8.660 3.322 ( -6.426 -0.000 3.443) 7.290 3.758 ( 5.430 0.000 -8.949) 10.468 3.983 ( 0.145 0.000 0.760) 0.774 4.099 ( 9.821 0.000 12.518) 15.911 5.536 ( -8.896 -0.000 -21.561) 23.324 5.634 ( 6.397 0.000 7.350) 9.744 6.595 ( 5.852 0.000 -0.092) 5.853 6.795 ( -2.950 -0.000 -9.664) 10.104 7.787 ( -3.068 -0.000 11.633) 12.031 8.366 ( 3.733 0.000 6.015) 7.079 8.761 ( 0.128 0.000 0.050) 0.137 9.180 ( -1.745 -0.000 8.432) 8.611 11.242 ( 7.340 0.000 1.341) 7.461 11.573 ( -1.455 -0.000 -0.043) 1.455 12.406 ( 9.770 0.000 -13.197) 16.419 12.749 ( -2.495 -0.000 4.009) 4.722 12.950 ( 0.023 0.000 0.081) 0.084 13.077 ( -0.674 -0.000 -0.082) 0.679 14.359 ( 1.324 0.000 3.614) 3.849 15.608 ( -2.893 -0.000 0.845) 3.014 16.440 ( 0.260 0.000 0.020) 0.261 16.908 ( -5.253 -0.000 1.917) 5.592 17.949 ( -0.170 -0.000 -0.032) 0.173 18.118 ( 0.782 0.000 -11.604) 11.630 ======================= Grid point 971 (468/481) ======================= q-point: (-0.25 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -16.268 -22.037 7.355) 28.361 1.858 ( -20.789 -1.985 5.776) 21.667 2.567 ( -5.587 -13.476 -3.727) 15.057 2.906 ( 2.986 -10.961 4.325) 12.155 3.108 ( -5.735 -2.968 -2.281) 6.849 3.153 ( -6.442 -9.872 1.834) 11.930 3.358 ( -8.062 -8.624 -0.463) 11.815 3.755 ( 5.359 0.761 -5.877) 7.990 3.980 ( 1.995 0.235 0.154) 2.015 4.194 ( 10.726 0.118 10.692) 15.145 5.408 ( -8.248 -0.070 -20.003) 21.637 5.692 ( 7.896 1.535 8.885) 11.985 6.605 ( -2.120 2.874 -5.690) 6.718 6.870 ( 4.608 -13.398 -5.017) 15.030 7.758 ( -3.858 4.795 11.983) 13.471 8.419 ( 4.366 -0.678 7.576) 8.770 8.830 ( 0.607 -4.686 2.167) 5.198 9.238 ( -4.087 -6.611 5.489) 9.515 11.287 ( 4.998 -0.206 1.956) 5.371 11.587 ( 5.008 -0.772 0.131) 5.069 12.304 ( 5.142 7.707 -15.419) 17.989 12.650 ( -4.084 8.141 7.683) 11.916 13.107 ( -2.818 -11.378 -0.064) 11.722 13.277 ( 4.837 -20.067 -3.846) 20.997 14.374 ( 2.218 0.396 5.477) 5.922 15.304 ( -3.978 23.765 0.649) 24.105 16.504 ( 1.197 -1.525 3.287) 3.816 16.958 ( -9.539 -3.808 0.711) 10.296 17.707 ( 7.085 8.804 -5.009) 12.361 18.366 ( -3.613 -16.754 -10.175) 19.932 ======================= Grid point 972 (469/481) ======================= q-point: (-0.19 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -16.044 -10.332 5.722) 19.922 2.196 ( -13.737 -23.237 10.465) 28.951 2.832 ( -2.794 -17.336 -1.574) 17.630 3.092 ( -5.777 -2.186 -8.535) 10.536 3.143 ( -5.701 -15.021 1.897) 16.178 3.409 ( -1.212 -15.570 -0.769) 15.636 3.561 ( -10.923 -18.360 0.078) 21.363 3.774 ( 1.403 -2.687 0.116) 3.033 4.047 ( 6.983 -5.238 1.052) 8.793 4.303 ( 10.549 -2.662 7.299) 13.101 5.331 ( -4.328 -2.200 -16.014) 16.734 5.726 ( 5.996 2.246 9.026) 11.067 6.482 ( -3.577 4.881 -7.741) 9.826 7.205 ( 6.942 -15.223 -1.124) 16.769 7.687 ( -4.351 1.108 9.308) 10.335 8.481 ( 3.137 0.065 9.493) 9.998 8.879 ( 0.645 0.399 3.509) 3.590 9.463 ( -5.272 -18.618 -0.368) 19.353 11.333 ( 2.636 -2.150 1.883) 3.888 11.652 ( 5.816 -1.873 0.555) 6.135 12.142 ( 2.888 5.985 -13.796) 15.313 12.492 ( -2.303 8.780 7.832) 11.989 13.262 ( -7.322 -7.506 -1.188) 10.553 13.726 ( 8.195 -22.578 -6.220) 24.812 14.442 ( 2.998 -4.697 7.364) 9.235 14.850 ( -2.263 21.028 0.255) 21.151 16.477 ( -1.040 5.705 3.899) 6.988 16.812 ( -3.783 12.521 2.623) 13.340 17.791 ( 7.092 -10.839 -5.332) 14.008 18.569 ( -6.912 -12.155 -11.008) 17.796 ======================= Grid point 973 (470/481) ======================= q-point: (-0.12 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -8.979 -16.743 5.001) 19.645 2.498 ( -15.302 -14.247 15.301) 25.908 3.069 ( -9.685 -6.585 -9.810) 15.277 3.132 ( 0.725 -12.129 -2.506) 12.407 3.422 ( 0.681 -13.402 -5.480) 14.495 3.659 ( -0.797 -14.203 0.571) 14.236 3.820 ( -2.302 -11.955 -5.732) 13.456 3.961 ( -9.542 -19.330 8.551) 23.191 4.241 ( 7.534 -9.914 -0.108) 12.452 4.505 ( 9.390 -11.043 5.266) 15.422 5.335 ( -1.377 -4.671 -11.468) 12.459 5.740 ( 2.846 1.765 7.370) 8.095 6.348 ( -1.310 5.185 -6.719) 8.587 7.292 ( -0.665 7.759 6.822) 10.353 7.904 ( 1.128 -21.592 0.117) 21.622 8.484 ( -0.556 3.977 8.648) 9.535 8.916 ( 3.536 -3.402 0.920) 4.992 9.803 ( -5.160 -19.774 -2.449) 20.582 11.420 ( 2.432 -5.014 1.056) 5.672 11.695 ( -1.942 -0.358 2.133) 2.907 12.049 ( 4.874 1.745 -9.666) 10.965 12.383 ( 1.350 3.392 4.308) 5.647 13.284 ( -9.133 -1.203 -1.913) 9.409 14.105 ( 5.895 -14.192 -4.538) 16.023 14.497 ( -2.818 13.185 0.867) 13.510 14.657 ( 6.975 -9.963 5.317) 13.273 16.308 ( -2.220 11.156 0.236) 11.377 16.596 ( 3.057 10.971 6.120) 12.929 18.017 ( 3.521 -9.932 -3.234) 11.022 18.681 ( -8.119 -8.557 -9.803) 15.338 ======================= Grid point 974 (471/481) ======================= q-point: (-0.06 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -3.430 -16.211 2.721) 16.792 2.697 ( -13.484 -11.148 16.350) 23.946 3.135 ( -6.960 -9.532 -5.923) 13.205 3.294 ( -0.396 -6.131 -4.018) 7.341 3.566 ( 0.688 -6.372 -9.467) 11.433 3.963 ( -2.190 -13.379 -6.211) 14.912 4.021 ( 3.078 -15.018 3.601) 15.748 4.268 ( -5.053 -13.162 4.239) 14.722 4.539 ( 4.057 -18.002 1.906) 18.552 4.823 ( 5.272 -15.692 2.742) 16.780 5.392 ( -0.939 -4.456 -6.702) 8.103 5.759 ( 0.871 -1.479 3.761) 4.134 6.235 ( 1.316 4.832 -4.099) 6.471 7.097 ( -4.162 12.314 5.907) 14.278 8.307 ( -3.798 -12.910 3.194) 13.831 8.443 ( 2.958 -5.464 -0.524) 6.235 9.036 ( 4.856 -5.532 -0.065) 7.361 10.088 ( -4.880 -14.251 -2.985) 15.357 11.535 ( 1.859 -4.575 0.363) 4.951 11.660 ( -3.551 2.311 3.357) 5.405 12.071 ( 2.641 -4.704 -5.406) 7.637 12.447 ( 3.839 -7.476 0.772) 8.439 13.233 ( -7.943 -0.405 -1.255) 8.052 14.203 ( 3.079 9.262 -0.217) 9.763 14.334 ( -1.439 -1.000 -1.238) 2.146 14.944 ( 5.974 -13.492 3.054) 15.068 16.091 ( 1.728 10.675 -1.111) 10.871 16.454 ( 1.761 8.397 5.697) 10.299 18.162 ( 0.633 -5.031 -1.258) 5.224 18.743 ( -6.763 -5.922 -7.146) 11.484 ======================= Grid point 987 (472/481) ======================= q-point: (-0.25 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -19.211 -0.000 9.828) 21.579 1.763 ( -21.310 -0.000 9.899) 23.497 2.368 ( -4.837 -0.000 -5.921) 7.645 2.848 ( 7.022 0.000 5.051) 8.650 2.983 ( -22.987 -0.000 15.589) 27.774 3.069 ( -1.205 -0.000 -3.422) 3.628 3.222 ( -4.976 -0.000 -11.770) 12.778 3.781 ( 5.016 0.000 -5.150) 7.189 3.998 ( 3.404 0.000 -1.041) 3.560 4.285 ( 9.128 0.000 7.812) 12.014 5.299 ( -5.781 -0.000 -18.030) 18.934 5.797 ( 10.202 0.000 10.510) 14.647 6.665 ( 6.141 0.000 -0.100) 6.142 6.672 ( -5.618 -0.000 -11.440) 12.745 7.829 ( -4.621 -0.000 13.455) 14.227 8.468 ( 5.928 0.000 7.555) 9.603 8.763 ( 0.136 0.000 0.103) 0.171 9.208 ( -3.789 -0.000 9.250) 9.996 11.329 ( 4.960 0.000 2.544) 5.575 11.630 ( 11.220 0.000 1.055) 11.269 12.375 ( 4.343 0.000 -19.619) 20.094 12.744 ( -4.357 -0.000 6.022) 7.433 12.951 ( 0.031 0.000 0.024) 0.039 13.068 ( -0.740 -0.000 -0.048) 0.742 14.409 ( 0.903 0.000 6.582) 6.643 15.569 ( -5.549 -0.000 1.575) 5.768 16.444 ( 0.272 0.000 0.015) 0.273 16.845 ( -7.694 -0.000 1.774) 7.896 17.947 ( -0.174 -0.000 -0.024) 0.176 18.025 ( 0.085 0.000 -17.636) 17.636 ======================= Grid point 988 (473/481) ======================= q-point: (-0.19 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -16.272 -18.342 10.821) 26.801 1.706 ( -15.772 -9.473 11.158) 21.517 2.484 ( -3.846 -14.939 -4.645) 16.110 2.896 ( -16.269 -5.248 12.527) 21.193 3.020 ( -5.703 1.180 -9.680) 11.297 3.096 ( -3.342 -14.922 8.157) 17.331 3.259 ( -2.374 -10.054 -9.027) 13.719 3.771 ( 0.474 0.917 -2.872) 3.051 4.032 ( 7.099 -1.372 0.540) 7.250 4.353 ( 7.963 -0.101 3.748) 8.802 5.232 ( -1.400 -0.892 -14.029) 14.126 5.859 ( 8.963 3.422 10.891) 14.514 6.524 ( -2.754 4.438 -7.935) 9.500 6.903 ( 5.634 -16.755 -3.038) 17.936 7.785 ( -6.074 5.555 12.847) 15.258 8.535 ( 6.328 -0.370 8.181) 10.350 8.850 ( 0.352 -6.231 2.065) 6.573 9.218 ( -5.835 -3.204 5.768) 8.808 11.352 ( 4.325 0.812 2.336) 4.982 11.701 ( 12.028 1.252 1.382) 12.172 12.234 ( 3.300 7.030 -17.375) 19.031 12.645 ( -6.450 7.076 8.304) 12.674 13.070 ( -3.169 -8.207 -0.305) 8.803 13.311 ( 6.478 -22.690 -5.587) 24.248 14.433 ( -0.862 -0.457 7.904) 7.964 15.252 ( -5.845 22.946 0.888) 23.696 16.536 ( -0.291 -2.035 4.046) 4.538 16.857 ( -8.149 -4.143 0.784) 9.175 17.746 ( 6.894 5.183 -8.073) 11.814 18.234 ( -5.857 -14.612 -12.312) 19.985 ======================= Grid point 989 (474/481) ======================= q-point: (-0.12 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -9.365 -11.632 10.974) 18.532 2.119 ( -13.178 -23.336 13.670) 30.085 2.771 ( -4.668 -17.278 -5.689) 18.780 2.948 ( -6.759 -3.549 -11.304) 13.640 3.059 ( -12.944 -18.221 8.094) 23.771 3.402 ( 0.161 -14.242 -0.716) 14.261 3.474 ( -3.119 -16.356 -0.595) 16.661 3.771 ( -2.629 -3.297 1.195) 4.383 4.146 ( 8.390 -5.341 0.751) 9.974 4.427 ( 6.372 -3.672 0.244) 7.358 5.226 ( 1.480 -2.719 -10.061) 10.526 5.849 ( 3.731 4.751 8.809) 10.681 6.417 ( 1.540 4.314 -5.927) 7.491 7.276 ( 7.441 -15.694 -2.320) 17.522 7.683 ( -7.915 1.744 10.502) 13.266 8.589 ( 4.486 2.243 8.978) 10.284 8.905 ( -0.263 0.140 3.761) 3.773 9.399 ( -5.213 -17.873 -0.422) 18.622 11.386 ( 4.713 -1.279 1.855) 5.224 11.706 ( 0.915 2.207 0.473) 2.436 12.113 ( 8.702 4.364 -12.071) 15.507 12.499 ( -5.325 6.906 7.263) 11.349 13.169 ( -6.664 -5.051 -1.809) 8.556 13.786 ( 10.762 -22.350 -8.375) 26.182 14.489 ( -5.824 -4.370 8.849) 11.459 14.840 ( 1.046 17.201 0.310) 17.236 16.467 ( -4.094 7.401 2.232) 8.748 16.823 ( 0.637 7.151 6.442) 9.645 17.831 ( 7.181 -9.970 -7.838) 14.574 18.394 ( -9.445 -12.088 -12.647) 19.881 ======================= Grid point 990 (475/481) ======================= q-point: (-0.06 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -3.161 -17.092 8.503) 19.350 2.438 ( -14.171 -14.653 18.295) 27.391 2.889 ( -9.007 -7.812 -10.800) 16.087 3.111 ( -0.953 -13.479 -5.087) 14.439 3.370 ( -1.719 -13.262 -6.213) 14.746 3.646 ( -0.801 -15.603 -2.943) 15.898 3.777 ( -0.719 -15.127 0.671) 15.159 3.936 ( -5.611 -16.257 9.318) 19.561 4.315 ( 5.804 -8.746 -1.204) 10.566 4.600 ( 4.220 -11.531 -0.576) 12.292 5.280 ( 2.308 -4.560 -6.811) 8.515 5.799 ( -0.558 3.504 5.455) 6.507 6.336 ( 5.473 5.037 -2.952) 8.002 7.310 ( -3.280 10.136 5.504) 11.991 7.914 ( 0.216 -22.227 0.522) 22.234 8.533 ( 0.177 6.965 6.366) 9.437 8.964 ( 3.233 -4.688 1.649) 5.929 9.732 ( -4.381 -19.333 -1.907) 19.914 11.469 ( 4.622 -3.917 1.223) 6.181 11.664 ( -5.475 0.601 1.715) 5.769 12.064 ( 7.708 2.795 -8.274) 11.648 12.411 ( -1.165 1.261 3.961) 4.317 13.169 ( -7.723 -0.999 -2.644) 8.224 14.149 ( 7.382 -12.060 -5.108) 15.034 14.454 ( -6.438 7.764 2.430) 10.374 14.768 ( 6.708 -7.054 3.708) 10.417 16.284 ( -1.764 9.708 -0.186) 9.869 16.677 ( 2.800 11.149 7.734) 13.855 18.037 ( 3.961 -8.859 -3.654) 10.370 18.511 ( -8.959 -10.734 -10.984) 17.780 ======================= Grid point 1004 (476/481) ======================= q-point: (-0.19 -0.19 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -19.053 -0.000 12.389) 22.727 1.630 ( -16.603 -0.000 16.895) 23.687 2.292 ( -1.767 -0.000 -5.116) 5.412 2.809 ( -27.240 -0.000 21.470) 34.684 2.938 ( 2.154 0.000 2.553) 3.340 3.035 ( 0.696 0.000 -2.483) 2.579 3.059 ( -6.223 -0.000 -17.475) 18.550 3.763 ( -2.467 -0.000 -4.495) 5.128 4.070 ( 8.773 0.000 1.125) 8.845 4.406 ( 7.750 0.000 -0.546) 7.770 5.190 ( 2.683 0.000 -10.171) 10.519 6.000 ( 10.622 0.000 11.695) 15.799 6.538 ( -3.345 -0.000 -9.288) 9.872 6.733 ( 5.515 0.000 -0.088) 5.515 7.852 ( -6.770 -0.000 13.259) 14.887 8.597 ( 7.242 0.000 7.433) 10.378 8.765 ( 0.132 0.000 0.125) 0.182 9.213 ( -5.212 -0.000 8.094) 9.627 11.401 ( 5.571 0.000 1.854) 5.871 11.824 ( 17.842 0.000 1.398) 17.897 12.275 ( 3.556 0.000 -19.506) 19.827 12.727 ( -5.612 -0.000 6.694) 8.736 12.951 ( 0.013 0.000 -0.002) 0.013 13.060 ( -0.679 -0.000 -0.032) 0.680 14.442 ( -5.096 -0.000 8.065) 9.540 15.495 ( -9.074 -0.000 1.693) 9.231 16.447 ( 0.240 0.000 0.003) 0.240 16.755 ( -9.206 -0.000 1.050) 9.266 17.895 ( -0.427 -0.000 -19.805) 19.810 17.945 ( -0.148 -0.000 -0.011) 0.149 ======================= Grid point 1005 (477/481) ======================= q-point: (-0.12 -0.19 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -12.552 -25.470 12.330) 30.956 1.635 ( -12.118 -6.955 17.155) 22.125 2.416 ( -3.403 -13.805 -3.437) 14.628 2.757 ( -18.210 -5.002 10.126) 21.428 2.870 ( -9.403 1.299 -5.300) 10.872 3.131 ( -1.562 -13.319 1.073) 13.453 3.194 ( 1.079 -12.447 -3.386) 12.944 3.727 ( -3.856 -0.055 -2.688) 4.701 4.141 ( 9.221 -1.467 1.760) 9.501 4.431 ( 6.588 0.564 -5.086) 8.342 5.188 ( 4.581 -0.528 -6.717) 8.148 6.007 ( 2.910 6.466 8.351) 10.955 6.486 ( 6.043 2.522 -4.187) 7.772 6.956 ( 6.154 -17.689 -1.899) 18.825 7.784 ( -8.580 6.547 12.364) 16.411 8.667 ( 7.373 -0.209 7.002) 10.170 8.865 ( 0.077 -7.403 1.733) 7.604 9.182 ( -6.497 -0.423 5.176) 8.317 11.429 ( 6.994 0.977 1.138) 7.153 11.809 ( 3.060 7.785 -2.278) 8.669 12.218 ( 14.005 3.584 -10.921) 18.117 12.609 ( -9.025 6.876 8.357) 14.091 13.034 ( -2.519 -5.270 -0.502) 5.862 13.359 ( 9.552 -25.477 -6.930) 28.077 14.426 ( -11.569 -0.720 8.899) 14.613 15.189 ( -5.291 19.972 0.731) 20.674 16.536 ( -4.234 0.218 2.865) 5.117 16.802 ( -2.482 -10.217 2.615) 10.835 17.749 ( 5.061 1.901 -13.041) 14.117 18.085 ( -6.639 -10.332 -8.439) 14.901 ======================= Grid point 1006 (478/481) ======================= q-point: (-0.06 -0.19 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -3.811 -12.351 15.487) 20.172 2.076 ( -10.448 -24.062 14.912) 30.174 2.637 ( -11.482 -12.772 -4.608) 17.782 2.784 ( -5.946 -9.666 -14.490) 18.405 3.017 ( -4.444 -19.022 10.642) 22.244 3.370 ( -1.586 -13.503 -5.651) 14.723 3.486 ( 1.471 -16.091 4.163) 16.686 3.737 ( -4.510 -5.213 1.875) 7.144 4.239 ( 6.627 -3.537 0.264) 7.517 4.459 ( 3.727 -3.884 -7.391) 9.143 5.221 ( 4.919 -2.042 -4.084) 6.712 5.902 ( -2.652 6.201 4.946) 8.364 6.465 ( 10.424 4.492 -0.882) 11.385 7.351 ( 8.944 -15.190 -3.258) 17.926 7.640 ( -11.674 2.196 10.647) 15.952 8.696 ( 4.499 5.424 7.073) 9.984 8.923 ( -0.664 -1.021 3.487) 3.693 9.341 ( -4.181 -17.794 -0.229) 18.280 11.468 ( 7.713 -0.469 0.800) 7.769 11.664 ( -6.577 3.945 -1.126) 7.752 12.192 ( 14.548 6.238 -7.096) 17.347 12.466 ( -8.086 4.842 6.711) 11.570 13.088 ( -4.881 -2.767 -2.327) 6.074 13.870 ( 14.374 -21.781 -9.895) 27.909 14.412 ( -16.754 -3.488 8.642) 19.171 14.880 ( 4.411 11.325 0.605) 12.169 16.425 ( -4.344 6.948 0.792) 8.232 16.903 ( 2.994 5.212 10.259) 11.890 17.845 ( 6.270 -11.920 -12.468) 18.354 18.198 ( -10.542 -10.843 -9.495) 17.857 ======================= Grid point 1022 (479/481) ======================= q-point: (-0.12 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -16.003 -0.000 12.828) 20.510 1.601 ( -11.937 -0.000 23.445) 26.309 2.260 ( 1.037 0.000 -3.483) 3.634 2.659 ( -16.864 -0.000 12.146) 20.783 2.868 ( -12.404 -0.000 -5.355) 13.510 2.909 ( -4.122 -0.000 -3.094) 5.154 3.077 ( 4.370 0.000 1.865) 4.752 3.693 ( -4.048 -0.000 -3.574) 5.400 4.191 ( 8.972 0.000 2.302) 9.262 4.463 ( 8.189 0.000 -9.874) 12.827 5.198 ( 5.678 0.000 -4.140) 7.027 6.113 ( -3.063 -0.000 3.967) 5.012 6.561 ( 14.994 0.000 0.143) 14.994 6.789 ( 4.126 0.000 -0.067) 4.127 7.847 ( -8.347 -0.000 11.852) 14.497 8.726 ( 7.059 0.000 5.762) 9.112 8.768 ( 0.117 0.000 0.112) 0.162 9.200 ( -4.840 -0.000 5.890) 7.624 11.483 ( 7.489 0.000 -0.978) 7.552 11.915 ( -1.077 -0.000 -9.206) 9.269 12.329 ( 21.020 0.000 -5.380) 21.697 12.730 ( 1.231 0.000 7.150) 7.255 12.951 ( -0.027 -0.000 0.009) 0.028 13.052 ( -0.497 -0.000 -0.037) 0.499 14.362 ( -19.363 -0.000 8.462) 21.131 15.393 ( -8.973 -0.000 1.100) 9.040 16.449 ( 0.175 0.000 -0.008) 0.175 16.661 ( -6.994 -0.000 0.399) 7.005 17.766 ( -1.110 -0.000 -15.707) 15.746 17.944 ( -0.101 -0.000 0.001) 0.101 ======================= Grid point 1023 (480/481) ======================= q-point: (-0.06 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -9.473 -31.597 9.995) 34.468 1.657 ( -7.324 -5.036 22.188) 23.902 2.357 ( -5.476 -8.666 1.456) 10.354 2.630 ( -1.764 -1.604 -13.616) 13.823 2.774 ( -11.480 -5.798 15.549) 20.179 3.059 ( -5.673 -14.351 -4.377) 16.041 3.236 ( 2.738 -12.306 3.265) 13.023 3.665 ( -3.898 -0.810 -1.750) 4.349 4.247 ( 6.437 -0.450 1.577) 6.643 4.446 ( 6.566 1.883 -12.679) 14.402 5.222 ( 5.393 -0.372 -1.973) 5.755 6.014 ( -5.761 6.342 2.501) 8.926 6.617 ( 14.681 3.911 1.311) 15.250 7.022 ( 7.179 -18.561 -1.173) 19.936 7.755 ( -8.947 7.864 10.335) 15.771 8.791 ( 6.945 -0.590 4.584) 8.342 8.875 ( -0.176 -8.012 1.418) 8.138 9.143 ( -5.273 1.757 4.025) 6.863 11.515 ( 7.462 0.228 -2.952) 8.028 11.749 ( -5.834 8.968 -3.558) 11.275 12.389 ( 17.942 4.414 -4.054) 18.917 12.566 ( -5.882 10.826 8.754) 15.114 13.005 ( -1.879 -3.083 -0.663) 3.671 13.451 ( 15.347 -27.939 -8.173) 32.908 14.270 ( -24.512 -1.838 8.921) 26.150 15.152 ( -1.676 15.327 0.450) 15.425 16.490 ( -4.750 2.046 1.003) 5.268 16.827 ( 1.671 -17.861 4.742) 18.555 17.678 ( -0.557 0.432 -15.682) 15.698 17.993 ( -3.366 -4.771 -1.619) 6.059 ======================= Grid point 1040 (481/481) ======================= q-point: (-0.06 -0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 1.64e-04 1.64e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -9.235 -0.000 10.876) 14.268 1.651 ( -7.873 -0.000 25.163) 26.366 2.264 ( 2.329 0.000 -2.034) 3.092 2.588 ( 3.427 0.000 -13.379) 13.811 2.727 ( -18.821 -0.000 21.397) 28.497 2.836 ( -4.182 -0.000 -3.200) 5.266 3.132 ( 2.853 0.000 1.515) 3.230 3.632 ( -3.228 -0.000 -1.901) 3.746 4.283 ( 4.079 0.000 1.136) 4.234 4.471 ( 8.270 0.000 -15.583) 17.642 5.244 ( 4.366 0.000 -0.755) 4.431 6.049 ( -7.054 -0.000 0.751) 7.094 6.790 ( 17.419 0.000 2.480) 17.595 6.826 ( 2.200 0.000 -0.045) 2.200 7.829 ( -5.406 -0.000 8.300) 9.905 8.769 ( 0.095 0.000 0.069) 0.118 8.829 ( 5.042 0.000 3.589) 6.189 9.187 ( -2.026 -0.000 3.050) 3.662 11.535 ( 3.896 0.000 -5.914) 7.082 11.806 ( -5.169 -0.000 -4.291) 6.718 12.475 ( 4.676 0.000 -1.369) 4.873 12.943 ( 26.745 0.000 4.027) 27.046 12.951 ( -0.083 -0.000 0.053) 0.098 13.048 ( -0.222 -0.000 -0.063) 0.231 14.122 ( -27.714 -0.000 7.415) 28.688 15.323 ( -3.960 -0.000 0.571) 4.001 16.451 ( 0.090 0.000 -0.013) 0.091 16.607 ( -2.888 -0.000 0.321) 2.906 17.663 ( -3.310 -0.000 -7.967) 8.627 17.943 ( -0.046 -0.000 0.004) 0.046 =================== 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 3/53760 10.0 990.714 318.776 507.316 -0.000 130.565 0.000 3/53760 20.0 240.816 161.987 156.010 -0.000 -9.629 0.000 3/53760 30.0 84.125 79.122 53.676 -0.000 -6.080 0.000 3/53760 40.0 44.675 51.590 28.277 -0.000 -3.651 0.000 3/53760 50.0 29.310 38.924 18.665 -0.000 -2.492 0.000 3/53760 60.0 21.584 31.496 13.901 -0.000 -1.854 0.000 3/53760 70.0 17.025 26.471 11.096 -0.000 -1.462 0.000 3/53760 80.0 14.032 22.786 9.248 -0.000 -1.203 0.000 3/53760 90.0 11.917 19.951 7.933 -0.000 -1.021 0.000 3/53760 100.0 10.344 17.700 6.946 -0.000 -0.888 0.000 3/53760 110.0 9.128 15.874 6.177 -0.000 -0.786 0.000 3/53760 120.0 8.162 14.368 5.561 -0.000 -0.706 0.000 3/53760 130.0 7.376 13.110 5.055 -0.000 -0.642 0.000 3/53760 140.0 6.725 12.045 4.634 -0.000 -0.589 0.000 3/53760 150.0 6.179 11.135 4.277 -0.000 -0.545 0.000 3/53760 160.0 5.713 10.349 3.971 -0.000 -0.508 0.000 3/53760 170.0 5.313 9.666 3.707 -0.000 -0.475 0.000 3/53760 180.0 4.965 9.067 3.476 -0.000 -0.447 0.000 3/53760 190.0 4.660 8.538 3.272 -0.000 -0.423 0.000 3/53760 200.0 4.391 8.067 3.091 -0.000 -0.401 0.000 3/53760 210.0 4.151 7.646 2.930 -0.000 -0.381 0.000 3/53760 220.0 3.937 7.268 2.784 -0.000 -0.364 0.000 3/53760 230.0 3.744 6.925 2.653 -0.000 -0.348 0.000 3/53760 240.0 3.570 6.615 2.534 -0.000 -0.333 0.000 3/53760 250.0 3.411 6.331 2.426 -0.000 -0.320 0.000 3/53760 260.0 3.266 6.071 2.326 -0.000 -0.308 0.000 3/53760 270.0 3.133 5.832 2.235 -0.000 -0.297 0.000 3/53760 280.0 3.011 5.612 2.150 -0.000 -0.286 0.000 3/53760 290.0 2.898 5.408 2.072 -0.000 -0.276 0.000 3/53760 300.0 2.794 5.219 2.000 -0.000 -0.267 0.000 3/53760 310.0 2.697 5.042 1.932 -0.000 -0.259 0.000 3/53760 320.0 2.606 4.878 1.869 -0.000 -0.251 0.000 3/53760 330.0 2.522 4.724 1.810 -0.000 -0.244 0.000 3/53760 340.0 2.443 4.580 1.755 -0.000 -0.236 0.000 3/53760 350.0 2.369 4.444 1.703 -0.000 -0.230 0.000 3/53760 360.0 2.299 4.317 1.654 -0.000 -0.224 0.000 3/53760 370.0 2.234 4.196 1.608 -0.000 -0.218 0.000 3/53760 380.0 2.172 4.083 1.564 -0.000 -0.212 0.000 3/53760 390.0 2.114 3.975 1.523 -0.000 -0.207 0.000 3/53760 400.0 2.058 3.873 1.484 -0.000 -0.202 0.000 3/53760 410.0 2.006 3.776 1.447 -0.000 -0.197 0.000 3/53760 420.0 1.956 3.685 1.412 -0.000 -0.192 0.000 3/53760 430.0 1.909 3.597 1.378 -0.000 -0.188 0.000 3/53760 440.0 1.864 3.514 1.346 -0.000 -0.184 0.000 3/53760 450.0 1.821 3.434 1.316 -0.000 -0.180 0.000 3/53760 460.0 1.780 3.358 1.287 -0.000 -0.176 0.000 3/53760 470.0 1.741 3.286 1.259 -0.000 -0.172 0.000 3/53760 480.0 1.703 3.216 1.232 -0.000 -0.169 0.000 3/53760 490.0 1.667 3.149 1.207 -0.000 -0.165 0.000 3/53760 500.0 1.633 3.086 1.182 -0.000 -0.162 0.000 3/53760 510.0 1.600 3.024 1.159 -0.000 -0.159 0.000 3/53760 520.0 1.569 2.965 1.136 -0.000 -0.156 0.000 3/53760 530.0 1.538 2.909 1.114 -0.000 -0.153 0.000 3/53760 540.0 1.509 2.854 1.093 -0.000 -0.150 0.000 3/53760 550.0 1.481 2.802 1.073 -0.000 -0.148 0.000 3/53760 560.0 1.454 2.751 1.054 -0.000 -0.145 0.000 3/53760 570.0 1.428 2.703 1.035 -0.000 -0.143 0.000 3/53760 580.0 1.403 2.656 1.017 -0.000 -0.140 0.000 3/53760 590.0 1.378 2.610 1.000 -0.000 -0.138 0.000 3/53760 600.0 1.355 2.567 0.983 -0.000 -0.136 0.000 3/53760 610.0 1.332 2.524 0.967 -0.000 -0.133 0.000 3/53760 620.0 1.310 2.483 0.951 -0.000 -0.131 0.000 3/53760 630.0 1.289 2.444 0.936 -0.000 -0.129 0.000 3/53760 640.0 1.269 2.405 0.921 -0.000 -0.127 0.000 3/53760 650.0 1.249 2.368 0.907 -0.000 -0.125 0.000 3/53760 660.0 1.230 2.332 0.893 -0.000 -0.123 0.000 3/53760 670.0 1.211 2.297 0.880 -0.000 -0.122 0.000 3/53760 680.0 1.193 2.263 0.867 -0.000 -0.120 0.000 3/53760 690.0 1.175 2.230 0.854 -0.000 -0.118 0.000 3/53760 700.0 1.158 2.198 0.842 -0.000 -0.116 0.000 3/53760 710.0 1.142 2.167 0.830 -0.000 -0.115 0.000 3/53760 720.0 1.126 2.137 0.818 -0.000 -0.113 0.000 3/53760 730.0 1.110 2.107 0.807 -0.000 -0.112 0.000 3/53760 740.0 1.095 2.079 0.796 -0.000 -0.110 0.000 3/53760 750.0 1.080 2.051 0.785 -0.000 -0.109 0.000 3/53760 760.0 1.066 2.024 0.775 -0.000 -0.107 0.000 3/53760 770.0 1.052 1.998 0.765 -0.000 -0.106 0.000 3/53760 780.0 1.038 1.972 0.755 -0.000 -0.105 0.000 3/53760 790.0 1.025 1.947 0.745 -0.000 -0.103 0.000 3/53760 800.0 1.012 1.923 0.736 -0.000 -0.102 0.000 3/53760 810.0 0.999 1.899 0.727 -0.000 -0.101 0.000 3/53760 820.0 0.987 1.876 0.718 -0.000 -0.100 0.000 3/53760 830.0 0.975 1.853 0.709 -0.000 -0.098 0.000 3/53760 840.0 0.963 1.831 0.701 -0.000 -0.097 0.000 3/53760 850.0 0.952 1.809 0.693 -0.000 -0.096 0.000 3/53760 860.0 0.941 1.788 0.685 -0.000 -0.095 0.000 3/53760 870.0 0.930 1.768 0.677 -0.000 -0.094 0.000 3/53760 880.0 0.919 1.748 0.669 -0.000 -0.093 0.000 3/53760 890.0 0.909 1.728 0.661 -0.000 -0.092 0.000 3/53760 900.0 0.899 1.709 0.654 -0.000 -0.091 0.000 3/53760 910.0 0.889 1.690 0.647 -0.000 -0.090 0.000 3/53760 920.0 0.879 1.671 0.640 -0.000 -0.089 0.000 3/53760 930.0 0.870 1.654 0.633 -0.000 -0.088 0.000 3/53760 940.0 0.860 1.636 0.626 -0.000 -0.087 0.000 3/53760 950.0 0.851 1.619 0.620 -0.000 -0.086 0.000 3/53760 960.0 0.842 1.602 0.613 -0.000 -0.085 0.000 3/53760 970.0 0.833 1.585 0.607 -0.000 -0.084 0.000 3/53760 980.0 0.825 1.569 0.601 -0.000 -0.084 0.000 3/53760 990.0 0.817 1.553 0.594 -0.000 -0.083 0.000 3/53760 1000.0 0.808 1.538 0.589 -0.000 -0.082 0.000 3/53760 Thermal conductivity related properties were written into "kappa-m16167.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:54:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|