----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:45:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.528399956942473 1.459772395759772 4.624219753333329 b -2.528399956942468 1.459772395759772 4.624219753333329 c 0.000000000000002 -2.919544791519548 4.624219753333329 Atomic positions (fractional): *1 O 0.95275630912913 0.56184865134950 0.22540051393451 15.999 2 O 0.22540051393451 0.95275630912913 0.56184865134950 15.999 3 O 0.56184865134950 0.22540051393451 0.95275630912913 15.999 4 O 0.04724369087087 0.43815134865051 0.77459948606549 15.999 5 O 0.43815134865050 0.77459948606549 0.04724369087087 15.999 6 O 0.77459948606549 0.04724369087087 0.43815134865050 15.999 *7 Mg 0.64495152185481 0.64495152185482 0.64495152185481 24.305 8 Mg 0.35504847814519 0.35504847814519 0.35504847814519 24.305 *9 Ti 0.85569734328575 0.85569734328576 0.85569734328575 47.867 10 Ti 0.14430265671424 0.14430265671425 0.14430265671424 47.867 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.056799913884941 0.000000000000000 0.000000000000000 b -2.528399956942470 4.379317187279320 0.000000000000000 c 0.000000000000000 0.000000000000000 13.872659260000001 Atomic positions (fractional): *1 O 0.03942115099142 0.68793464420320 0.91333515813771 15.999 > 1 2 O 0.31206535579680 0.35148650678822 0.91333515813771 15.999 > 2 3 O 0.64851349321178 0.96057884900858 0.91333515813771 15.999 > 3 4 O 0.29391218234192 0.97873202246347 0.75333150852895 15.999 > 4 5 O 0.68481984012155 0.70608781765809 0.75333150852895 15.999 > 5 6 O 0.02126797753654 0.31518015987845 0.75333150852895 15.999 > 6 7 O 0.70608781765809 0.02126797753654 0.24666849147105 15.999 > 1 8 O 0.97873202246347 0.68481984012155 0.24666849147105 15.999 > 2 9 O 0.31518015987845 0.29391218234192 0.24666849147105 15.999 > 3 10 O 0.96057884900858 0.31206535579680 0.08666484186229 15.999 > 4 11 O 0.35148650678822 0.03942115099142 0.08666484186229 15.999 > 5 12 O 0.68793464420320 0.64851349321178 0.08666484186229 15.999 > 6 13 O 0.37275448432475 0.35460131086987 0.58000182480438 15.999 > 1 14 O 0.64539868913013 0.01815317345488 0.58000182480438 15.999 > 2 15 O 0.98184682654512 0.62724551567525 0.58000182480438 15.999 > 3 16 O 0.62724551567525 0.64539868913013 0.41999817519562 15.999 > 4 17 O 0.01815317345488 0.37275448432475 0.41999817519562 15.999 > 5 18 O 0.35460131086987 0.98184682654512 0.41999817519562 15.999 > 6 *19 Mg 0.66666666666667 0.33333333333333 0.97828485518815 24.305 > 7 20 Mg 0.66666666666667 0.33333333333333 0.68838181147852 24.305 > 8 21 Mg 0.33333333333333 0.66666666666667 0.31161818852148 24.305 > 7 22 Mg 0.33333333333333 0.66666666666667 0.02171514481185 24.305 > 8 23 Mg 0.00000000000000 0.00000000000000 0.64495152185481 24.305 > 7 24 Mg 0.00000000000000 0.00000000000000 0.35504847814519 24.305 > 8 *25 Ti 0.00000000000000 0.00000000000000 0.85569734328575 47.867 > 9 26 Ti 0.33333333333333 0.66666666666667 0.81096932338091 47.867 > 10 27 Ti 0.66666666666667 0.33333333333333 0.18903067661909 47.867 > 9 28 Ti 0.00000000000000 0.00000000000000 0.14430265671424 47.867 > 10 29 Ti 0.33333333333333 0.66666666666667 0.52236400995242 47.867 > 9 30 Ti 0.66666666666667 0.33333333333333 0.47763599004758 47.867 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.113599827769882 0.000000000000000 0.000000000000000 b -5.056799913884940 8.758634374558641 0.000000000000000 c 0.000000000000000 0.000000000000000 13.872659260000001 Atomic positions (fractional): *1 O 0.01971057549571 0.34396732210160 0.91333515813771 15.999 > 1 2 O 0.51971057549571 0.34396732210160 0.91333515813771 15.999 > 1 3 O 0.01971057549571 0.84396732210160 0.91333515813771 15.999 > 1 4 O 0.51971057549571 0.84396732210160 0.91333515813771 15.999 > 1 5 O 0.15603267789840 0.17574325339411 0.91333515813771 15.999 > 2 6 O 0.65603267789840 0.17574325339411 0.91333515813771 15.999 > 2 7 O 0.15603267789840 0.67574325339411 0.91333515813771 15.999 > 2 8 O 0.65603267789840 0.67574325339411 0.91333515813771 15.999 > 2 9 O 0.32425674660589 0.48028942450429 0.91333515813771 15.999 > 3 10 O 0.82425674660589 0.48028942450429 0.91333515813771 15.999 > 3 11 O 0.32425674660589 0.98028942450429 0.91333515813771 15.999 > 3 12 O 0.82425674660589 0.98028942450429 0.91333515813771 15.999 > 3 13 O 0.14695609117096 0.48936601123173 0.75333150852895 15.999 > 4 14 O 0.64695609117096 0.48936601123173 0.75333150852895 15.999 > 4 15 O 0.14695609117096 0.98936601123173 0.75333150852895 15.999 > 4 16 O 0.64695609117096 0.98936601123173 0.75333150852895 15.999 > 4 17 O 0.34240992006078 0.35304390882904 0.75333150852895 15.999 > 5 18 O 0.84240992006078 0.35304390882904 0.75333150852895 15.999 > 5 19 O 0.34240992006078 0.85304390882904 0.75333150852895 15.999 > 5 20 O 0.84240992006078 0.85304390882904 0.75333150852895 15.999 > 5 21 O 0.01063398876827 0.15759007993922 0.75333150852895 15.999 > 6 22 O 0.51063398876827 0.15759007993922 0.75333150852895 15.999 > 6 23 O 0.01063398876827 0.65759007993922 0.75333150852895 15.999 > 6 24 O 0.51063398876827 0.65759007993922 0.75333150852895 15.999 > 6 25 O 0.35304390882904 0.01063398876827 0.24666849147105 15.999 > 1 26 O 0.85304390882904 0.01063398876827 0.24666849147105 15.999 > 1 27 O 0.35304390882904 0.51063398876827 0.24666849147105 15.999 > 1 28 O 0.85304390882904 0.51063398876827 0.24666849147105 15.999 > 1 29 O 0.48936601123173 0.34240992006078 0.24666849147105 15.999 > 2 30 O 0.98936601123173 0.34240992006078 0.24666849147105 15.999 > 2 31 O 0.48936601123173 0.84240992006078 0.24666849147105 15.999 > 2 32 O 0.98936601123173 0.84240992006078 0.24666849147105 15.999 > 2 33 O 0.15759007993922 0.14695609117096 0.24666849147105 15.999 > 3 34 O 0.65759007993922 0.14695609117096 0.24666849147105 15.999 > 3 35 O 0.15759007993922 0.64695609117096 0.24666849147105 15.999 > 3 36 O 0.65759007993922 0.64695609117096 0.24666849147105 15.999 > 3 37 O 0.48028942450429 0.15603267789840 0.08666484186229 15.999 > 4 38 O 0.98028942450429 0.15603267789840 0.08666484186229 15.999 > 4 39 O 0.48028942450429 0.65603267789840 0.08666484186229 15.999 > 4 40 O 0.98028942450429 0.65603267789840 0.08666484186229 15.999 > 4 41 O 0.17574325339411 0.01971057549571 0.08666484186229 15.999 > 5 42 O 0.67574325339411 0.01971057549571 0.08666484186229 15.999 > 5 43 O 0.17574325339411 0.51971057549571 0.08666484186229 15.999 > 5 44 O 0.67574325339411 0.51971057549571 0.08666484186229 15.999 > 5 45 O 0.34396732210160 0.32425674660589 0.08666484186229 15.999 > 6 46 O 0.84396732210160 0.32425674660589 0.08666484186229 15.999 > 6 47 O 0.34396732210160 0.82425674660589 0.08666484186229 15.999 > 6 48 O 0.84396732210160 0.82425674660589 0.08666484186229 15.999 > 6 49 O 0.18637724216238 0.17730065543493 0.58000182480438 15.999 > 1 50 O 0.68637724216238 0.17730065543493 0.58000182480438 15.999 > 1 51 O 0.18637724216238 0.67730065543493 0.58000182480438 15.999 > 1 52 O 0.68637724216238 0.67730065543493 0.58000182480438 15.999 > 1 53 O 0.32269934456507 0.00907658672744 0.58000182480438 15.999 > 2 54 O 0.82269934456507 0.00907658672744 0.58000182480438 15.999 > 2 55 O 0.32269934456507 0.50907658672744 0.58000182480438 15.999 > 2 56 O 0.82269934456507 0.50907658672744 0.58000182480438 15.999 > 2 57 O 0.49092341327256 0.31362275783762 0.58000182480438 15.999 > 3 58 O 0.99092341327256 0.31362275783762 0.58000182480438 15.999 > 3 59 O 0.49092341327256 0.81362275783762 0.58000182480438 15.999 > 3 60 O 0.99092341327256 0.81362275783762 0.58000182480438 15.999 > 3 61 O 0.31362275783762 0.32269934456507 0.41999817519562 15.999 > 4 62 O 0.81362275783762 0.32269934456507 0.41999817519562 15.999 > 4 63 O 0.31362275783762 0.82269934456507 0.41999817519562 15.999 > 4 64 O 0.81362275783762 0.82269934456507 0.41999817519562 15.999 > 4 65 O 0.00907658672744 0.18637724216238 0.41999817519562 15.999 > 5 66 O 0.50907658672744 0.18637724216238 0.41999817519562 15.999 > 5 67 O 0.00907658672744 0.68637724216238 0.41999817519562 15.999 > 5 68 O 0.50907658672744 0.68637724216238 0.41999817519562 15.999 > 5 69 O 0.17730065543493 0.49092341327256 0.41999817519562 15.999 > 6 70 O 0.67730065543493 0.49092341327256 0.41999817519562 15.999 > 6 71 O 0.17730065543493 0.99092341327256 0.41999817519562 15.999 > 6 72 O 0.67730065543493 0.99092341327256 0.41999817519562 15.999 > 6 *73 Mg 0.33333333333333 0.16666666666667 0.97828485518815 24.305 > 7 74 Mg 0.83333333333333 0.16666666666667 0.97828485518815 24.305 > 7 75 Mg 0.33333333333333 0.66666666666667 0.97828485518815 24.305 > 7 76 Mg 0.83333333333333 0.66666666666667 0.97828485518815 24.305 > 7 77 Mg 0.33333333333333 0.16666666666667 0.68838181147852 24.305 > 8 78 Mg 0.83333333333333 0.16666666666667 0.68838181147852 24.305 > 8 79 Mg 0.33333333333333 0.66666666666667 0.68838181147852 24.305 > 8 80 Mg 0.83333333333333 0.66666666666667 0.68838181147852 24.305 > 8 81 Mg 0.16666666666667 0.33333333333333 0.31161818852148 24.305 > 7 82 Mg 0.66666666666667 0.33333333333333 0.31161818852148 24.305 > 7 83 Mg 0.16666666666667 0.83333333333333 0.31161818852148 24.305 > 7 84 Mg 0.66666666666667 0.83333333333333 0.31161818852148 24.305 > 7 85 Mg 0.16666666666667 0.33333333333333 0.02171514481185 24.305 > 8 86 Mg 0.66666666666667 0.33333333333333 0.02171514481185 24.305 > 8 87 Mg 0.16666666666667 0.83333333333333 0.02171514481185 24.305 > 8 88 Mg 0.66666666666667 0.83333333333333 0.02171514481185 24.305 > 8 89 Mg 0.00000000000000 0.00000000000000 0.64495152185481 24.305 > 7 90 Mg 0.50000000000000 0.00000000000000 0.64495152185481 24.305 > 7 91 Mg 0.00000000000000 0.50000000000000 0.64495152185481 24.305 > 7 92 Mg 0.50000000000000 0.50000000000000 0.64495152185481 24.305 > 7 93 Mg 0.00000000000000 0.00000000000000 0.35504847814519 24.305 > 8 94 Mg 0.50000000000000 0.00000000000000 0.35504847814519 24.305 > 8 95 Mg 0.00000000000000 0.50000000000000 0.35504847814519 24.305 > 8 96 Mg 0.50000000000000 0.50000000000000 0.35504847814519 24.305 > 8 *97 Ti 0.00000000000000 0.00000000000000 0.85569734328575 47.867 > 9 98 Ti 0.50000000000000 0.00000000000000 0.85569734328575 47.867 > 9 99 Ti 0.00000000000000 0.50000000000000 0.85569734328575 47.867 > 9 100 Ti 0.50000000000000 0.50000000000000 0.85569734328575 47.867 > 9 101 Ti 0.16666666666667 0.33333333333333 0.81096932338091 47.867 > 10 102 Ti 0.66666666666667 0.33333333333333 0.81096932338091 47.867 > 10 103 Ti 0.16666666666667 0.83333333333333 0.81096932338091 47.867 > 10 104 Ti 0.66666666666667 0.83333333333333 0.81096932338091 47.867 > 10 105 Ti 0.33333333333333 0.16666666666667 0.18903067661909 47.867 > 9 106 Ti 0.83333333333333 0.16666666666667 0.18903067661909 47.867 > 9 107 Ti 0.33333333333333 0.66666666666667 0.18903067661909 47.867 > 9 108 Ti 0.83333333333333 0.66666666666667 0.18903067661909 47.867 > 9 109 Ti 0.00000000000000 0.00000000000000 0.14430265671424 47.867 > 10 110 Ti 0.50000000000000 0.00000000000000 0.14430265671424 47.867 > 10 111 Ti 0.00000000000000 0.50000000000000 0.14430265671424 47.867 > 10 112 Ti 0.50000000000000 0.50000000000000 0.14430265671424 47.867 > 10 113 Ti 0.16666666666667 0.33333333333333 0.52236400995242 47.867 > 9 114 Ti 0.66666666666667 0.33333333333333 0.52236400995242 47.867 > 9 115 Ti 0.16666666666667 0.83333333333333 0.52236400995242 47.867 > 9 116 Ti 0.66666666666667 0.83333333333333 0.52236400995242 47.867 > 9 117 Ti 0.33333333333333 0.16666666666667 0.47763599004758 47.867 > 10 118 Ti 0.83333333333333 0.16666666666667 0.47763599004758 47.867 > 10 119 Ti 0.33333333333333 0.66666666666667 0.47763599004758 47.867 > 10 120 Ti 0.83333333333333 0.66666666666667 0.47763599004758 47.867 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2365683 -0.0000001 0.0000000 0.0000001 5.2365683 0.0000000 0.0000000 0.0000000 3.9469331 -------------------------- Born effective charges -------------------------- 1 O -2.7917555 0.9404306 0.0035670 0.9875885 -2.4373714 0.5327850 0.0408009 0.5413200 -1.8597576 2 O -1.6911106 -0.3521309 -0.4631888 -0.3049730 -3.5380162 -0.2633034 -0.4891973 -0.2353254 -1.8597576 3 O -3.3608242 -0.6590366 0.4596218 -0.6118787 -1.8683026 -0.2694816 0.4483964 -0.3059946 -1.8597576 4 O -2.7917555 0.9404306 0.0035670 0.9875885 -2.4373714 0.5327850 0.0408009 0.5413200 -1.8597576 5 O -3.3608242 -0.6590366 0.4596218 -0.6118787 -1.8683026 -0.2694816 0.4483964 -0.3059946 -1.8597576 6 O -1.6911106 -0.3521309 -0.4631888 -0.3049730 -3.5380162 -0.2633034 -0.4891973 -0.2353254 -1.8597576 7 Mg 2.2785514 0.0314275 0.0000000 -0.0314275 2.2785514 0.0000000 0.0000000 0.0000000 2.7170522 8 Mg 2.2785514 0.0314275 0.0000000 -0.0314275 2.2785514 0.0000000 0.0000000 0.0000000 2.7170522 9 Ti 5.5651389 0.0393093 0.0000000 -0.0393093 5.5651389 0.0000000 0.0000000 0.0000000 2.8622204 10 Ti 5.5651389 0.0393093 0.0000000 -0.0393093 5.5651389 0.0000000 0.0000000 0.0000000 2.8622204 ---------------------------------------------------------------------------- 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: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 464 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.016 Solver_block: 100 / 240 - Time: 1.097 Solver_block: 200 / 240 - Time: 1.062 Solver_block: 240 / 240 - Time: 0.481 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.669 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 464 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), 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 2026-01-07 19:45:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:45:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.528399956942473 1.459772395759772 4.624219753333329 b -2.528399956942468 1.459772395759772 4.624219753333329 c 0.000000000000002 -2.919544791519548 4.624219753333329 Atomic positions (fractional): 1 O 0.95275630912913 0.56184865134950 0.22540051393451 15.999 2 O 0.22540051393451 0.95275630912913 0.56184865134950 15.999 3 O 0.56184865134950 0.22540051393451 0.95275630912913 15.999 4 O 0.04724369087087 0.43815134865051 0.77459948606549 15.999 5 O 0.43815134865050 0.77459948606549 0.04724369087087 15.999 6 O 0.77459948606549 0.04724369087087 0.43815134865050 15.999 7 Mg 0.64495152185481 0.64495152185482 0.64495152185481 24.305 8 Mg 0.35504847814519 0.35504847814519 0.35504847814519 24.305 9 Ti 0.85569734328575 0.85569734328576 0.85569734328575 47.867 10 Ti 0.14430265671424 0.14430265671425 0.14430265671424 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.113599827769882 0.000000000000000 0.000000000000000 b -5.056799913884940 8.758634374558641 0.000000000000000 c 0.000000000000000 0.000000000000000 13.872659260000001 Atomic positions (fractional): 1 O 0.01971057549571 0.34396732210160 0.91333515813771 15.999 > 1 2 O 0.51971057549571 0.34396732210160 0.91333515813771 15.999 > 1 3 O 0.01971057549571 0.84396732210160 0.91333515813771 15.999 > 1 4 O 0.51971057549571 0.84396732210160 0.91333515813771 15.999 > 1 5 O 0.15603267789840 0.17574325339411 0.91333515813771 15.999 > 5 6 O 0.65603267789840 0.17574325339411 0.91333515813771 15.999 > 5 7 O 0.15603267789840 0.67574325339411 0.91333515813771 15.999 > 5 8 O 0.65603267789840 0.67574325339411 0.91333515813771 15.999 > 5 9 O 0.32425674660589 0.48028942450429 0.91333515813771 15.999 > 9 10 O 0.82425674660589 0.48028942450429 0.91333515813771 15.999 > 9 11 O 0.32425674660589 0.98028942450429 0.91333515813771 15.999 > 9 12 O 0.82425674660589 0.98028942450429 0.91333515813771 15.999 > 9 13 O 0.14695609117096 0.48936601123173 0.75333150852895 15.999 > 13 14 O 0.64695609117096 0.48936601123173 0.75333150852895 15.999 > 13 15 O 0.14695609117096 0.98936601123173 0.75333150852895 15.999 > 13 16 O 0.64695609117096 0.98936601123173 0.75333150852895 15.999 > 13 17 O 0.34240992006078 0.35304390882904 0.75333150852895 15.999 > 17 18 O 0.84240992006078 0.35304390882904 0.75333150852895 15.999 > 17 19 O 0.34240992006078 0.85304390882904 0.75333150852895 15.999 > 17 20 O 0.84240992006078 0.85304390882904 0.75333150852895 15.999 > 17 21 O 0.01063398876827 0.15759007993922 0.75333150852895 15.999 > 21 22 O 0.51063398876827 0.15759007993922 0.75333150852895 15.999 > 21 23 O 0.01063398876827 0.65759007993922 0.75333150852895 15.999 > 21 24 O 0.51063398876827 0.65759007993922 0.75333150852895 15.999 > 21 25 O 0.35304390882904 0.01063398876827 0.24666849147105 15.999 > 1 26 O 0.85304390882904 0.01063398876827 0.24666849147105 15.999 > 1 27 O 0.35304390882904 0.51063398876827 0.24666849147105 15.999 > 1 28 O 0.85304390882904 0.51063398876827 0.24666849147105 15.999 > 1 29 O 0.48936601123173 0.34240992006078 0.24666849147105 15.999 > 5 30 O 0.98936601123173 0.34240992006078 0.24666849147105 15.999 > 5 31 O 0.48936601123173 0.84240992006078 0.24666849147105 15.999 > 5 32 O 0.98936601123173 0.84240992006078 0.24666849147105 15.999 > 5 33 O 0.15759007993922 0.14695609117096 0.24666849147105 15.999 > 9 34 O 0.65759007993922 0.14695609117096 0.24666849147105 15.999 > 9 35 O 0.15759007993922 0.64695609117096 0.24666849147105 15.999 > 9 36 O 0.65759007993922 0.64695609117096 0.24666849147105 15.999 > 9 37 O 0.48028942450429 0.15603267789840 0.08666484186229 15.999 > 13 38 O 0.98028942450429 0.15603267789840 0.08666484186229 15.999 > 13 39 O 0.48028942450429 0.65603267789840 0.08666484186229 15.999 > 13 40 O 0.98028942450429 0.65603267789840 0.08666484186229 15.999 > 13 41 O 0.17574325339411 0.01971057549571 0.08666484186229 15.999 > 17 42 O 0.67574325339411 0.01971057549571 0.08666484186229 15.999 > 17 43 O 0.17574325339411 0.51971057549571 0.08666484186229 15.999 > 17 44 O 0.67574325339411 0.51971057549571 0.08666484186229 15.999 > 17 45 O 0.34396732210160 0.32425674660589 0.08666484186229 15.999 > 21 46 O 0.84396732210160 0.32425674660589 0.08666484186229 15.999 > 21 47 O 0.34396732210160 0.82425674660589 0.08666484186229 15.999 > 21 48 O 0.84396732210160 0.82425674660589 0.08666484186229 15.999 > 21 49 O 0.18637724216238 0.17730065543493 0.58000182480438 15.999 > 1 50 O 0.68637724216238 0.17730065543493 0.58000182480438 15.999 > 1 51 O 0.18637724216238 0.67730065543493 0.58000182480438 15.999 > 1 52 O 0.68637724216238 0.67730065543493 0.58000182480438 15.999 > 1 53 O 0.32269934456507 0.00907658672744 0.58000182480438 15.999 > 5 54 O 0.82269934456507 0.00907658672744 0.58000182480438 15.999 > 5 55 O 0.32269934456507 0.50907658672744 0.58000182480438 15.999 > 5 56 O 0.82269934456507 0.50907658672744 0.58000182480438 15.999 > 5 57 O 0.49092341327256 0.31362275783762 0.58000182480438 15.999 > 9 58 O 0.99092341327256 0.31362275783762 0.58000182480438 15.999 > 9 59 O 0.49092341327256 0.81362275783762 0.58000182480438 15.999 > 9 60 O 0.99092341327256 0.81362275783762 0.58000182480438 15.999 > 9 61 O 0.31362275783762 0.32269934456507 0.41999817519562 15.999 > 13 62 O 0.81362275783762 0.32269934456507 0.41999817519562 15.999 > 13 63 O 0.31362275783762 0.82269934456507 0.41999817519562 15.999 > 13 64 O 0.81362275783762 0.82269934456507 0.41999817519562 15.999 > 13 65 O 0.00907658672744 0.18637724216238 0.41999817519562 15.999 > 17 66 O 0.50907658672744 0.18637724216238 0.41999817519562 15.999 > 17 67 O 0.00907658672744 0.68637724216238 0.41999817519562 15.999 > 17 68 O 0.50907658672744 0.68637724216238 0.41999817519562 15.999 > 17 69 O 0.17730065543493 0.49092341327256 0.41999817519562 15.999 > 21 70 O 0.67730065543493 0.49092341327256 0.41999817519562 15.999 > 21 71 O 0.17730065543493 0.99092341327256 0.41999817519562 15.999 > 21 72 O 0.67730065543493 0.99092341327256 0.41999817519562 15.999 > 21 73 Mg 0.33333333333333 0.16666666666667 0.97828485518815 24.305 > 73 74 Mg 0.83333333333333 0.16666666666667 0.97828485518815 24.305 > 73 75 Mg 0.33333333333333 0.66666666666667 0.97828485518815 24.305 > 73 76 Mg 0.83333333333333 0.66666666666667 0.97828485518815 24.305 > 73 77 Mg 0.33333333333333 0.16666666666667 0.68838181147852 24.305 > 77 78 Mg 0.83333333333333 0.16666666666667 0.68838181147852 24.305 > 77 79 Mg 0.33333333333333 0.66666666666667 0.68838181147852 24.305 > 77 80 Mg 0.83333333333333 0.66666666666667 0.68838181147852 24.305 > 77 81 Mg 0.16666666666667 0.33333333333333 0.31161818852148 24.305 > 73 82 Mg 0.66666666666667 0.33333333333333 0.31161818852148 24.305 > 73 83 Mg 0.16666666666667 0.83333333333333 0.31161818852148 24.305 > 73 84 Mg 0.66666666666667 0.83333333333333 0.31161818852148 24.305 > 73 85 Mg 0.16666666666667 0.33333333333333 0.02171514481185 24.305 > 77 86 Mg 0.66666666666667 0.33333333333333 0.02171514481185 24.305 > 77 87 Mg 0.16666666666667 0.83333333333333 0.02171514481185 24.305 > 77 88 Mg 0.66666666666667 0.83333333333333 0.02171514481185 24.305 > 77 89 Mg 0.00000000000000 0.00000000000000 0.64495152185481 24.305 > 73 90 Mg 0.50000000000000 0.00000000000000 0.64495152185481 24.305 > 73 91 Mg 0.00000000000000 0.50000000000000 0.64495152185481 24.305 > 73 92 Mg 0.50000000000000 0.50000000000000 0.64495152185481 24.305 > 73 93 Mg 0.00000000000000 0.00000000000000 0.35504847814519 24.305 > 77 94 Mg 0.50000000000000 0.00000000000000 0.35504847814519 24.305 > 77 95 Mg 0.00000000000000 0.50000000000000 0.35504847814519 24.305 > 77 96 Mg 0.50000000000000 0.50000000000000 0.35504847814519 24.305 > 77 97 Ti 0.00000000000000 0.00000000000000 0.85569734328575 47.867 > 97 98 Ti 0.50000000000000 0.00000000000000 0.85569734328575 47.867 > 97 99 Ti 0.00000000000000 0.50000000000000 0.85569734328575 47.867 > 97 100 Ti 0.50000000000000 0.50000000000000 0.85569734328575 47.867 > 97 101 Ti 0.16666666666667 0.33333333333333 0.81096932338091 47.867 > 101 102 Ti 0.66666666666667 0.33333333333333 0.81096932338091 47.867 > 101 103 Ti 0.16666666666667 0.83333333333333 0.81096932338091 47.867 > 101 104 Ti 0.66666666666667 0.83333333333333 0.81096932338091 47.867 > 101 105 Ti 0.33333333333333 0.16666666666667 0.18903067661909 47.867 > 97 106 Ti 0.83333333333333 0.16666666666667 0.18903067661909 47.867 > 97 107 Ti 0.33333333333333 0.66666666666667 0.18903067661909 47.867 > 97 108 Ti 0.83333333333333 0.66666666666667 0.18903067661909 47.867 > 97 109 Ti 0.00000000000000 0.00000000000000 0.14430265671424 47.867 > 101 110 Ti 0.50000000000000 0.00000000000000 0.14430265671424 47.867 > 101 111 Ti 0.00000000000000 0.50000000000000 0.14430265671424 47.867 > 101 112 Ti 0.50000000000000 0.50000000000000 0.14430265671424 47.867 > 101 113 Ti 0.16666666666667 0.33333333333333 0.52236400995242 47.867 > 97 114 Ti 0.66666666666667 0.33333333333333 0.52236400995242 47.867 > 97 115 Ti 0.16666666666667 0.83333333333333 0.52236400995242 47.867 > 97 116 Ti 0.66666666666667 0.83333333333333 0.52236400995242 47.867 > 97 117 Ti 0.33333333333333 0.16666666666667 0.47763599004758 47.867 > 101 118 Ti 0.83333333333333 0.16666666666667 0.47763599004758 47.867 > 101 119 Ti 0.33333333333333 0.66666666666667 0.47763599004758 47.867 > 101 120 Ti 0.83333333333333 0.66666666666667 0.47763599004758 47.867 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2365683 -0.0000001 0.0000000 0.0000001 5.2365683 0.0000000 0.0000000 0.0000000 3.9469331 -------------------------- Born effective charges -------------------------- 1 O -2.7917555 0.9404306 0.0035670 0.9875885 -2.4373714 0.5327850 0.0408009 0.5413200 -1.8597576 2 O -1.6911106 -0.3521309 -0.4631888 -0.3049730 -3.5380162 -0.2633034 -0.4891973 -0.2353254 -1.8597576 3 O -3.3608242 -0.6590366 0.4596218 -0.6118787 -1.8683026 -0.2694816 0.4483964 -0.3059946 -1.8597576 4 O -2.7917555 0.9404306 0.0035670 0.9875885 -2.4373714 0.5327850 0.0408009 0.5413200 -1.8597576 5 O -3.3608242 -0.6590366 0.4596218 -0.6118787 -1.8683026 -0.2694816 0.4483964 -0.3059946 -1.8597576 6 O -1.6911106 -0.3521309 -0.4631888 -0.3049730 -3.5380162 -0.2633034 -0.4891973 -0.2353254 -1.8597576 7 Mg 2.2785514 0.0314275 0.0000000 -0.0314275 2.2785514 0.0000000 0.0000000 0.0000000 2.7170522 8 Mg 2.2785514 0.0314275 0.0000000 -0.0314275 2.2785514 0.0000000 0.0000000 0.0000000 2.7170522 9 Ti 5.5651389 0.0393093 0.0000000 -0.0393093 5.5651389 0.0000000 0.0000000 0.0000000 2.8622204 10 Ti 5.5651389 0.0393093 0.0000000 -0.0393093 5.5651389 0.0000000 0.0000000 0.0000000 2.8622204 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yxy) -0.00000002 (yxy) -0.00000002 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (xy) 0.00000005 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:45:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:45:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.528399956942473 1.459772395759772 4.624219753333329 b -2.528399956942468 1.459772395759772 4.624219753333329 c 0.000000000000002 -2.919544791519548 4.624219753333329 Atomic positions (fractional): 1 O 0.95275630912913 0.56184865134950 0.22540051393451 15.999 2 O 0.22540051393451 0.95275630912913 0.56184865134950 15.999 3 O 0.56184865134950 0.22540051393451 0.95275630912913 15.999 4 O 0.04724369087087 0.43815134865051 0.77459948606549 15.999 5 O 0.43815134865050 0.77459948606549 0.04724369087087 15.999 6 O 0.77459948606549 0.04724369087087 0.43815134865050 15.999 7 Mg 0.64495152185481 0.64495152185482 0.64495152185481 24.305 8 Mg 0.35504847814519 0.35504847814519 0.35504847814519 24.305 9 Ti 0.85569734328575 0.85569734328576 0.85569734328575 47.867 10 Ti 0.14430265671424 0.14430265671425 0.14430265671424 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.113599827769882 0.000000000000000 0.000000000000000 b -5.056799913884940 8.758634374558641 0.000000000000000 c 0.000000000000000 0.000000000000000 13.872659260000001 Atomic positions (fractional): 1 O 0.01971057549571 0.34396732210160 0.91333515813771 15.999 > 1 2 O 0.51971057549571 0.34396732210160 0.91333515813771 15.999 > 1 3 O 0.01971057549571 0.84396732210160 0.91333515813771 15.999 > 1 4 O 0.51971057549571 0.84396732210160 0.91333515813771 15.999 > 1 5 O 0.15603267789840 0.17574325339411 0.91333515813771 15.999 > 5 6 O 0.65603267789840 0.17574325339411 0.91333515813771 15.999 > 5 7 O 0.15603267789840 0.67574325339411 0.91333515813771 15.999 > 5 8 O 0.65603267789840 0.67574325339411 0.91333515813771 15.999 > 5 9 O 0.32425674660589 0.48028942450429 0.91333515813771 15.999 > 9 10 O 0.82425674660589 0.48028942450429 0.91333515813771 15.999 > 9 11 O 0.32425674660589 0.98028942450429 0.91333515813771 15.999 > 9 12 O 0.82425674660589 0.98028942450429 0.91333515813771 15.999 > 9 13 O 0.14695609117096 0.48936601123173 0.75333150852895 15.999 > 13 14 O 0.64695609117096 0.48936601123173 0.75333150852895 15.999 > 13 15 O 0.14695609117096 0.98936601123173 0.75333150852895 15.999 > 13 16 O 0.64695609117096 0.98936601123173 0.75333150852895 15.999 > 13 17 O 0.34240992006078 0.35304390882904 0.75333150852895 15.999 > 17 18 O 0.84240992006078 0.35304390882904 0.75333150852895 15.999 > 17 19 O 0.34240992006078 0.85304390882904 0.75333150852895 15.999 > 17 20 O 0.84240992006078 0.85304390882904 0.75333150852895 15.999 > 17 21 O 0.01063398876827 0.15759007993922 0.75333150852895 15.999 > 21 22 O 0.51063398876827 0.15759007993922 0.75333150852895 15.999 > 21 23 O 0.01063398876827 0.65759007993922 0.75333150852895 15.999 > 21 24 O 0.51063398876827 0.65759007993922 0.75333150852895 15.999 > 21 25 O 0.35304390882904 0.01063398876827 0.24666849147105 15.999 > 1 26 O 0.85304390882904 0.01063398876827 0.24666849147105 15.999 > 1 27 O 0.35304390882904 0.51063398876827 0.24666849147105 15.999 > 1 28 O 0.85304390882904 0.51063398876827 0.24666849147105 15.999 > 1 29 O 0.48936601123173 0.34240992006078 0.24666849147105 15.999 > 5 30 O 0.98936601123173 0.34240992006078 0.24666849147105 15.999 > 5 31 O 0.48936601123173 0.84240992006078 0.24666849147105 15.999 > 5 32 O 0.98936601123173 0.84240992006078 0.24666849147105 15.999 > 5 33 O 0.15759007993922 0.14695609117096 0.24666849147105 15.999 > 9 34 O 0.65759007993922 0.14695609117096 0.24666849147105 15.999 > 9 35 O 0.15759007993922 0.64695609117096 0.24666849147105 15.999 > 9 36 O 0.65759007993922 0.64695609117096 0.24666849147105 15.999 > 9 37 O 0.48028942450429 0.15603267789840 0.08666484186229 15.999 > 13 38 O 0.98028942450429 0.15603267789840 0.08666484186229 15.999 > 13 39 O 0.48028942450429 0.65603267789840 0.08666484186229 15.999 > 13 40 O 0.98028942450429 0.65603267789840 0.08666484186229 15.999 > 13 41 O 0.17574325339411 0.01971057549571 0.08666484186229 15.999 > 17 42 O 0.67574325339411 0.01971057549571 0.08666484186229 15.999 > 17 43 O 0.17574325339411 0.51971057549571 0.08666484186229 15.999 > 17 44 O 0.67574325339411 0.51971057549571 0.08666484186229 15.999 > 17 45 O 0.34396732210160 0.32425674660589 0.08666484186229 15.999 > 21 46 O 0.84396732210160 0.32425674660589 0.08666484186229 15.999 > 21 47 O 0.34396732210160 0.82425674660589 0.08666484186229 15.999 > 21 48 O 0.84396732210160 0.82425674660589 0.08666484186229 15.999 > 21 49 O 0.18637724216238 0.17730065543493 0.58000182480438 15.999 > 1 50 O 0.68637724216238 0.17730065543493 0.58000182480438 15.999 > 1 51 O 0.18637724216238 0.67730065543493 0.58000182480438 15.999 > 1 52 O 0.68637724216238 0.67730065543493 0.58000182480438 15.999 > 1 53 O 0.32269934456507 0.00907658672744 0.58000182480438 15.999 > 5 54 O 0.82269934456507 0.00907658672744 0.58000182480438 15.999 > 5 55 O 0.32269934456507 0.50907658672744 0.58000182480438 15.999 > 5 56 O 0.82269934456507 0.50907658672744 0.58000182480438 15.999 > 5 57 O 0.49092341327256 0.31362275783762 0.58000182480438 15.999 > 9 58 O 0.99092341327256 0.31362275783762 0.58000182480438 15.999 > 9 59 O 0.49092341327256 0.81362275783762 0.58000182480438 15.999 > 9 60 O 0.99092341327256 0.81362275783762 0.58000182480438 15.999 > 9 61 O 0.31362275783762 0.32269934456507 0.41999817519562 15.999 > 13 62 O 0.81362275783762 0.32269934456507 0.41999817519562 15.999 > 13 63 O 0.31362275783762 0.82269934456507 0.41999817519562 15.999 > 13 64 O 0.81362275783762 0.82269934456507 0.41999817519562 15.999 > 13 65 O 0.00907658672744 0.18637724216238 0.41999817519562 15.999 > 17 66 O 0.50907658672744 0.18637724216238 0.41999817519562 15.999 > 17 67 O 0.00907658672744 0.68637724216238 0.41999817519562 15.999 > 17 68 O 0.50907658672744 0.68637724216238 0.41999817519562 15.999 > 17 69 O 0.17730065543493 0.49092341327256 0.41999817519562 15.999 > 21 70 O 0.67730065543493 0.49092341327256 0.41999817519562 15.999 > 21 71 O 0.17730065543493 0.99092341327256 0.41999817519562 15.999 > 21 72 O 0.67730065543493 0.99092341327256 0.41999817519562 15.999 > 21 73 Mg 0.33333333333333 0.16666666666667 0.97828485518815 24.305 > 73 74 Mg 0.83333333333333 0.16666666666667 0.97828485518815 24.305 > 73 75 Mg 0.33333333333333 0.66666666666667 0.97828485518815 24.305 > 73 76 Mg 0.83333333333333 0.66666666666667 0.97828485518815 24.305 > 73 77 Mg 0.33333333333333 0.16666666666667 0.68838181147852 24.305 > 77 78 Mg 0.83333333333333 0.16666666666667 0.68838181147852 24.305 > 77 79 Mg 0.33333333333333 0.66666666666667 0.68838181147852 24.305 > 77 80 Mg 0.83333333333333 0.66666666666667 0.68838181147852 24.305 > 77 81 Mg 0.16666666666667 0.33333333333333 0.31161818852148 24.305 > 73 82 Mg 0.66666666666667 0.33333333333333 0.31161818852148 24.305 > 73 83 Mg 0.16666666666667 0.83333333333333 0.31161818852148 24.305 > 73 84 Mg 0.66666666666667 0.83333333333333 0.31161818852148 24.305 > 73 85 Mg 0.16666666666667 0.33333333333333 0.02171514481185 24.305 > 77 86 Mg 0.66666666666667 0.33333333333333 0.02171514481185 24.305 > 77 87 Mg 0.16666666666667 0.83333333333333 0.02171514481185 24.305 > 77 88 Mg 0.66666666666667 0.83333333333333 0.02171514481185 24.305 > 77 89 Mg 0.00000000000000 0.00000000000000 0.64495152185481 24.305 > 73 90 Mg 0.50000000000000 0.00000000000000 0.64495152185481 24.305 > 73 91 Mg 0.00000000000000 0.50000000000000 0.64495152185481 24.305 > 73 92 Mg 0.50000000000000 0.50000000000000 0.64495152185481 24.305 > 73 93 Mg 0.00000000000000 0.00000000000000 0.35504847814519 24.305 > 77 94 Mg 0.50000000000000 0.00000000000000 0.35504847814519 24.305 > 77 95 Mg 0.00000000000000 0.50000000000000 0.35504847814519 24.305 > 77 96 Mg 0.50000000000000 0.50000000000000 0.35504847814519 24.305 > 77 97 Ti 0.00000000000000 0.00000000000000 0.85569734328575 47.867 > 97 98 Ti 0.50000000000000 0.00000000000000 0.85569734328575 47.867 > 97 99 Ti 0.00000000000000 0.50000000000000 0.85569734328575 47.867 > 97 100 Ti 0.50000000000000 0.50000000000000 0.85569734328575 47.867 > 97 101 Ti 0.16666666666667 0.33333333333333 0.81096932338091 47.867 > 101 102 Ti 0.66666666666667 0.33333333333333 0.81096932338091 47.867 > 101 103 Ti 0.16666666666667 0.83333333333333 0.81096932338091 47.867 > 101 104 Ti 0.66666666666667 0.83333333333333 0.81096932338091 47.867 > 101 105 Ti 0.33333333333333 0.16666666666667 0.18903067661909 47.867 > 97 106 Ti 0.83333333333333 0.16666666666667 0.18903067661909 47.867 > 97 107 Ti 0.33333333333333 0.66666666666667 0.18903067661909 47.867 > 97 108 Ti 0.83333333333333 0.66666666666667 0.18903067661909 47.867 > 97 109 Ti 0.00000000000000 0.00000000000000 0.14430265671424 47.867 > 101 110 Ti 0.50000000000000 0.00000000000000 0.14430265671424 47.867 > 101 111 Ti 0.00000000000000 0.50000000000000 0.14430265671424 47.867 > 101 112 Ti 0.50000000000000 0.50000000000000 0.14430265671424 47.867 > 101 113 Ti 0.16666666666667 0.33333333333333 0.52236400995242 47.867 > 97 114 Ti 0.66666666666667 0.33333333333333 0.52236400995242 47.867 > 97 115 Ti 0.16666666666667 0.83333333333333 0.52236400995242 47.867 > 97 116 Ti 0.66666666666667 0.83333333333333 0.52236400995242 47.867 > 97 117 Ti 0.33333333333333 0.16666666666667 0.47763599004758 47.867 > 101 118 Ti 0.83333333333333 0.16666666666667 0.47763599004758 47.867 > 101 119 Ti 0.33333333333333 0.66666666666667 0.47763599004758 47.867 > 101 120 Ti 0.83333333333333 0.66666666666667 0.47763599004758 47.867 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2365683 -0.0000001 0.0000000 0.0000001 5.2365683 0.0000000 0.0000000 0.0000000 3.9469331 -------------------------- Born effective charges -------------------------- 1 O -2.7917555 0.9404306 0.0035670 0.9875885 -2.4373714 0.5327850 0.0408009 0.5413200 -1.8597576 2 O -1.6911106 -0.3521309 -0.4631888 -0.3049730 -3.5380162 -0.2633034 -0.4891973 -0.2353254 -1.8597576 3 O -3.3608242 -0.6590366 0.4596218 -0.6118787 -1.8683026 -0.2694816 0.4483964 -0.3059946 -1.8597576 4 O -2.7917555 0.9404306 0.0035670 0.9875885 -2.4373714 0.5327850 0.0408009 0.5413200 -1.8597576 5 O -3.3608242 -0.6590366 0.4596218 -0.6118787 -1.8683026 -0.2694816 0.4483964 -0.3059946 -1.8597576 6 O -1.6911106 -0.3521309 -0.4631888 -0.3049730 -3.5380162 -0.2633034 -0.4891973 -0.2353254 -1.8597576 7 Mg 2.2785514 0.0314275 0.0000000 -0.0314275 2.2785514 0.0000000 0.0000000 0.0000000 2.7170522 8 Mg 2.2785514 0.0314275 0.0000000 -0.0314275 2.2785514 0.0000000 0.0000000 0.0000000 2.7170522 9 Ti 5.5651389 0.0393093 0.0000000 -0.0393093 5.5651389 0.0000000 0.0000000 0.0000000 2.8622204 10 Ti 5.5651389 0.0393093 0.0000000 -0.0393093 5.5651389 0.0000000 0.0000000 0.0000000 2.8622204 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yxy) -0.00000002 (yxy) -0.00000002 (yyx) 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 ... [ 12 12 12 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.89, Number of G-points: 297, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 294 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 6.724 ( 0.000 0.000 0.000) 0.000 7.892 ( 0.000 0.000 0.000) 0.000 7.892 ( 0.000 0.000 0.000) 0.000 8.283 ( 0.000 0.000 0.000) 0.000 8.283 ( 0.000 0.000 0.000) 0.000 8.930 ( 0.000 0.000 0.000) 0.000 9.022 ( 0.000 0.000 0.000) 0.000 9.447 ( 0.000 0.000 0.000) 0.000 9.447 ( 0.000 0.000 0.000) 0.000 9.563 ( 0.000 0.000 0.000) 0.000 9.563 ( 0.000 0.000 0.000) 0.000 10.423 ( 0.000 0.000 0.000) 0.000 10.423 ( 0.000 0.000 0.000) 0.000 11.417 ( 0.000 0.000 0.000) 0.000 11.982 ( 0.000 0.000 0.000) 0.000 13.008 ( 0.000 0.000 0.000) 0.000 13.008 ( 0.000 0.000 0.000) 0.000 14.266 ( 0.000 0.000 0.000) 0.000 14.266 ( 0.000 0.000 0.000) 0.000 14.471 ( 0.000 0.000 0.000) 0.000 14.984 ( 0.000 0.000 0.000) 0.000 16.392 ( 0.000 0.000 0.000) 0.000 16.392 ( 0.000 0.000 0.000) 0.000 19.262 ( 0.000 0.000 0.000) 0.000 19.262 ( 0.000 0.000 0.000) 0.000 20.992 ( 0.000 0.000 0.000) 0.000 21.088 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 31.362 24.884 11.628) 41.689 0.913 ( 31.990 27.919 18.655) 46.378 1.837 ( 80.504 38.746 20.426) 91.648 6.614 ( -9.087 -5.354 -1.592) 10.666 7.766 ( -6.706 -5.698 -9.353) 12.842 8.059 ( -26.191 7.995 -14.540) 31.005 8.250 ( -6.183 -10.809 14.681) 19.251 8.334 ( 9.680 -11.159 -4.123) 15.337 8.804 ( -10.899 -2.616 -8.802) 14.251 9.121 ( -1.051 -3.175 20.604) 20.874 9.403 ( 0.869 -0.212 -2.140) 2.319 9.496 ( 10.384 -2.592 -11.772) 15.910 9.779 ( 8.644 9.701 5.569) 14.137 10.388 ( -5.163 4.682 -0.147) 6.971 10.506 ( 5.684 5.084 2.366) 7.985 11.360 ( -2.946 -1.247 1.491) 3.530 11.393 ( 6.584 2.152 -1.212) 7.032 12.029 ( -1.261 0.090 6.838) 6.953 12.970 ( -0.387 -3.323 -6.096) 6.954 14.071 ( -11.434 -11.633 3.087) 16.601 14.181 ( -14.492 15.005 -9.730) 23.018 14.324 ( 2.541 -6.439 -20.694) 21.821 14.602 ( 10.534 1.289 -4.399) 11.488 15.150 ( -5.820 -3.910 37.843) 38.487 16.440 ( 5.080 0.620 0.246) 5.123 19.198 ( -5.852 1.147 -6.443) 8.779 19.297 ( 3.443 -0.224 2.575) 4.305 20.905 ( 12.779 4.965 -39.433) 41.748 21.094 ( 1.842 -0.105 2.332) 2.974 23.739 ( 5.787 3.612 -28.271) 29.082 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 32.324 22.303 10.671) 40.695 1.803 ( 30.175 28.608 16.796) 44.845 3.614 ( 76.351 36.892 18.691) 86.833 6.336 ( -13.809 -8.616 -2.288) 16.437 7.487 ( -9.921 -8.253 -18.213) 22.322 7.561 ( -28.610 -1.638 -0.510) 28.661 8.106 ( -7.184 -11.185 7.266) 15.150 8.353 ( 3.733 -6.954 -2.290) 8.218 8.453 ( -18.338 -8.992 0.402) 20.428 9.183 ( 0.454 1.026 4.990) 5.115 9.416 ( 2.011 -0.152 -5.699) 6.045 9.570 ( 7.991 -3.309 -5.014) 9.998 9.962 ( 4.122 1.590 1.932) 4.822 10.396 ( -2.912 9.350 1.193) 9.865 10.687 ( 5.159 8.193 -0.183) 9.683 11.309 ( -1.877 1.016 6.369) 6.717 11.584 ( 9.579 1.048 5.137) 10.920 12.042 ( -0.337 3.095 -1.423) 3.423 12.866 ( -1.439 -3.859 -10.636) 11.406 13.744 ( -15.473 -16.190 6.249) 23.250 14.019 ( -12.170 15.146 -14.772) 24.407 14.151 ( -6.798 -4.441 -6.160) 10.192 14.718 ( 3.634 -2.977 5.543) 7.267 15.266 ( 1.445 -2.353 21.743) 21.918 16.564 ( 8.480 0.848 0.768) 8.557 19.024 ( -9.559 0.875 -11.757) 15.178 19.400 ( 5.906 0.625 5.087) 7.820 20.855 ( -0.808 -0.386 -15.625) 15.651 21.222 ( 12.189 1.382 -3.501) 12.757 23.671 ( -1.146 -0.092 -13.066) 13.116 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 31.944 18.944 8.388) 38.074 2.648 ( 27.696 28.589 14.817) 42.473 5.231 ( 65.026 31.297 14.533) 73.614 6.011 ( -13.101 -8.624 -1.584) 15.764 7.019 ( -25.392 1.297 -11.220) 27.791 7.194 ( -8.356 -15.762 -3.691) 18.218 7.749 ( -24.220 -12.032 -3.170) 27.229 8.160 ( -4.316 -7.650 7.636) 11.639 8.377 ( 3.225 -5.643 1.303) 6.629 9.216 ( 0.064 4.859 -4.446) 6.587 9.362 ( -1.776 -3.277 -8.555) 9.331 9.643 ( 6.981 -6.703 4.559) 10.698 10.026 ( -1.162 6.564 1.327) 6.797 10.415 ( -2.410 0.394 1.930) 3.113 10.775 ( -0.754 8.160 -6.169) 10.257 11.406 ( 0.231 5.764 8.243) 10.061 11.692 ( 3.419 -8.452 4.958) 10.378 12.118 ( 3.847 10.640 -2.860) 11.670 12.755 ( 0.350 -1.514 -11.643) 11.747 13.360 ( -17.173 -12.032 4.555) 21.457 13.861 ( -5.792 -3.876 -12.753) 14.533 14.004 ( -10.762 11.365 1.746) 15.749 14.735 ( -1.807 -6.386 11.258) 13.069 15.404 ( 4.683 -1.987 13.166) 14.114 16.737 ( 10.577 0.459 2.172) 10.807 18.766 ( -11.534 -0.691 -15.791) 19.567 19.558 ( 6.854 2.265 7.131) 10.147 20.718 ( -5.009 -1.234 -9.289) 10.625 21.433 ( 14.301 0.556 -4.351) 14.958 23.540 ( -5.521 -2.265 -8.248) 10.180 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 28.259 16.313 4.522) 32.942 3.432 ( 25.422 25.891 13.880) 38.850 5.700 ( -12.896 -8.187 -1.527) 15.351 6.163 ( 2.560 2.768 -0.265) 3.779 6.701 ( -10.284 4.046 -8.261) 13.798 6.930 ( -5.184 -20.638 -2.344) 21.408 7.466 ( 17.461 11.864 6.128) 21.981 8.143 ( 0.958 -3.628 10.412) 11.068 8.382 ( 1.644 -3.324 0.984) 3.837 9.178 ( -0.991 -7.037 -16.356) 17.834 9.250 ( -5.153 7.569 0.456) 9.168 9.726 ( 6.751 -7.972 8.414) 13.413 10.057 ( -2.976 8.948 -6.778) 11.613 10.381 ( -2.779 -3.381 10.045) 10.957 10.760 ( -6.848 7.058 -4.501) 10.815 11.380 ( -3.162 -4.306 -9.451) 10.856 11.666 ( -5.167 -3.891 9.802) 11.744 12.267 ( 3.808 7.667 -4.620) 9.727 12.727 ( 4.805 -1.901 -6.152) 8.034 13.071 ( -11.498 -1.747 5.078) 12.690 13.625 ( -8.736 -6.011 -6.707) 12.547 14.015 ( -3.573 11.673 1.185) 12.265 14.691 ( -3.240 -8.128 12.486) 15.247 15.529 ( 4.487 -1.278 7.812) 9.099 16.943 ( 11.668 -0.355 4.763) 12.608 18.450 ( -12.481 -2.112 -17.774) 21.821 19.743 ( 6.325 3.414 7.931) 10.704 20.570 ( -5.494 -0.900 -6.825) 8.808 21.633 ( 12.450 -0.467 -3.741) 13.008 23.358 ( -7.701 -3.189 -5.706) 10.101 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( 18.850 12.439 0.854) 22.601 4.147 ( 24.600 20.663 13.633) 34.899 5.334 ( -18.999 -10.759 -6.270) 22.716 5.937 ( -12.867 -6.173 1.374) 14.338 6.343 ( -16.204 -8.179 -10.439) 20.939 6.737 ( 0.820 -6.969 -0.260) 7.022 8.164 ( 7.171 4.571 10.541) 13.544 8.320 ( 9.943 3.299 2.325) 10.731 8.446 ( 22.959 9.159 2.779) 24.874 9.007 ( 1.650 -2.643 -7.463) 8.087 9.264 ( -0.396 4.533 -1.468) 4.781 9.810 ( 5.677 -7.223 8.325) 12.398 9.995 ( -7.149 4.253 -8.525) 11.911 10.387 ( -5.877 1.818 13.226) 14.587 10.591 ( -12.268 -0.987 -6.669) 13.998 11.213 ( -0.891 -5.719 -11.832) 13.172 11.554 ( -8.469 -1.590 4.694) 9.813 12.299 ( 0.970 -0.470 -5.069) 5.183 12.802 ( 5.724 -0.380 2.097) 6.108 13.002 ( -3.619 4.938 2.224) 6.514 13.410 ( -7.079 -3.852 -3.530) 8.799 14.092 ( 0.033 8.110 0.394) 8.120 14.637 ( -2.249 -6.614 8.833) 11.262 15.614 ( 2.495 -0.528 3.742) 4.529 17.161 ( 10.339 -0.667 6.795) 12.390 18.129 ( -10.913 -1.900 -14.975) 18.627 19.909 ( 4.356 2.828 6.249) 8.126 20.448 ( -3.939 -0.570 -4.769) 6.212 21.779 ( 7.727 -0.653 -2.214) 8.064 23.184 ( -6.032 -2.349 -3.164) 7.205 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.929 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 4.801 ( -0.000 -0.000 -0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 6.115 ( 0.000 0.000 0.000) 0.000 6.725 ( 0.000 0.000 0.000) 0.000 8.286 ( 0.000 0.000 0.000) 0.000 8.298 ( -0.000 -0.000 -0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 9.189 ( 0.000 0.000 0.000) 0.000 9.380 ( 0.000 0.000 0.000) 0.000 9.790 ( 0.000 -0.000 0.000) 0.000 9.874 ( 0.000 0.000 0.000) 0.000 10.317 ( -0.000 0.000 0.000) 0.000 10.468 ( 0.000 0.000 0.000) 0.000 11.141 ( 0.000 0.000 0.000) 0.000 11.483 ( 0.000 0.000 0.000) 0.000 12.284 ( 0.000 0.000 0.000) 0.000 12.865 ( 0.000 0.000 0.000) 0.000 13.012 ( 0.000 0.000 0.000) 0.000 13.312 ( 0.000 0.000 0.000) 0.000 14.139 ( 0.000 0.000 0.000) 0.000 14.611 ( 0.000 0.000 0.000) 0.000 15.643 ( 0.000 0.000 0.000) 0.000 17.288 ( 0.000 0.000 0.000) 0.000 17.958 ( 0.000 0.000 0.000) 0.000 19.985 ( 0.000 -0.000 0.000) 0.000 20.392 ( 0.000 0.000 0.000) 0.000 21.835 ( 0.000 -0.000 0.000) 0.000 23.108 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 19.470 39.041 22.007) 48.863 1.180 ( 4.625 35.124 40.635) 53.910 1.906 ( -13.046 79.509 30.027) 85.986 6.602 ( -0.102 -10.432 -2.549) 10.740 7.643 ( -2.407 -14.480 -19.659) 24.535 7.808 ( 12.176 -9.342 -21.251) 26.213 8.336 ( -3.569 -2.754 8.795) 9.883 8.538 ( -10.819 -5.080 13.347) 17.916 8.786 ( 4.613 0.560 -11.399) 12.310 9.056 ( -0.663 -14.713 10.603) 18.148 9.397 ( -8.745 -1.934 -0.547) 8.973 9.643 ( -4.248 14.475 -8.002) 17.076 9.828 ( 2.904 8.966 16.176) 18.721 10.344 ( 13.133 -5.816 2.144) 14.522 10.441 ( 1.741 8.623 -4.429) 9.849 11.342 ( -0.678 -4.304 -4.651) 6.373 11.478 ( 0.212 12.236 8.003) 14.623 12.037 ( 1.185 -9.070 7.167) 11.621 13.012 ( -7.293 1.267 -1.938) 7.651 13.828 ( 15.052 -6.659 -26.660) 31.331 14.203 ( -5.509 -6.069 -0.283) 8.202 14.320 ( 1.753 0.888 -9.015) 9.227 14.631 ( -1.186 13.825 -1.690) 13.978 15.291 ( 0.514 -24.552 38.467) 45.638 16.493 ( -4.378 6.557 6.163) 10.007 19.192 ( 1.169 -2.281 -7.685) 8.101 19.274 ( 2.931 1.016 0.462) 3.137 20.607 ( -5.413 41.094 -61.536) 74.194 21.107 ( -0.656 1.620 1.931) 2.605 23.509 ( 0.469 16.735 -34.530) 38.374 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 10.029 30.095 34.897) 47.161 1.930 ( 13.936 40.699 24.987) 49.749 3.137 ( 47.281 64.546 22.092) 83.005 6.397 ( -8.052 -13.168 -3.215) 15.766 7.345 ( -1.821 -16.182 -21.037) 26.603 7.762 ( 6.542 -17.171 -13.785) 22.971 8.111 ( -24.075 -3.679 2.248) 24.458 8.346 ( -2.525 -3.452 7.431) 8.574 8.657 ( -13.787 -10.296 1.198) 17.249 9.067 ( 4.982 -6.118 5.014) 9.348 9.360 ( 4.515 -3.439 0.324) 5.685 9.581 ( -7.127 9.206 -9.960) 15.321 9.984 ( 2.479 10.720 4.064) 11.729 10.477 ( 6.627 3.174 -6.502) 9.812 10.662 ( 2.819 3.077 13.005) 13.658 11.298 ( 5.470 -2.414 -0.436) 5.994 11.654 ( -1.099 13.773 9.571) 16.808 12.017 ( 1.968 -5.649 1.726) 6.226 12.815 ( -7.536 -1.086 -12.092) 14.289 13.877 ( 6.830 -9.818 -11.569) 16.639 13.934 ( -12.685 -9.474 -3.235) 16.160 14.309 ( 0.453 -1.509 1.911) 2.477 14.728 ( -2.610 13.061 -1.051) 13.360 15.294 ( 0.774 -19.116 29.553) 35.206 16.541 ( -0.496 8.777 2.602) 9.168 19.067 ( -4.337 -4.769 -9.361) 11.366 19.384 ( 3.827 4.737 2.723) 6.671 20.642 ( 7.708 16.210 -38.229) 42.233 21.138 ( 1.046 2.828 2.144) 3.700 23.521 ( 6.014 2.433 -20.476) 21.479 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 13.401 26.455 28.639) 41.227 2.706 ( 18.085 38.227 18.707) 46.242 4.685 ( 56.184 49.389 17.634) 76.856 6.093 ( -10.547 -12.397 -2.513) 16.470 7.020 ( -4.247 -16.139 -19.370) 25.567 7.444 ( -19.840 -9.313 -5.470) 22.590 7.815 ( -4.873 -12.915 -1.217) 13.857 8.215 ( -18.805 -16.236 3.410) 25.077 8.368 ( -0.503 1.868 2.056) 2.823 9.107 ( 3.837 -4.254 -0.980) 5.812 9.390 ( 1.446 -4.621 2.017) 5.245 9.538 ( 0.482 5.913 -8.278) 10.185 10.155 ( 0.813 11.942 5.008) 12.975 10.503 ( -6.252 -0.197 1.457) 6.422 10.710 ( 7.025 -2.069 -7.286) 10.331 11.488 ( 6.062 5.020 11.177) 13.670 11.718 ( -7.592 6.021 2.364) 9.974 12.082 ( 7.797 0.632 3.465) 8.555 12.636 ( -1.025 -3.838 -14.564) 15.096 13.581 ( -17.065 -7.071 0.155) 18.472 13.784 ( 0.069 -8.324 -9.217) 12.420 14.293 ( -6.716 4.047 5.239) 9.430 14.779 ( -2.751 4.331 4.073) 6.551 15.317 ( 4.989 -18.819 24.002) 30.905 16.671 ( 4.105 9.434 0.547) 10.303 18.845 ( -9.298 -2.843 -14.571) 17.517 19.536 ( 5.301 6.069 6.133) 10.127 20.644 ( 3.204 3.500 -22.735) 23.224 21.242 ( 7.134 4.084 -0.819) 8.261 23.473 ( 1.619 -4.122 -13.490) 14.198 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 16.632 23.050 19.721) 34.595 3.456 ( 18.615 33.364 15.575) 41.258 5.782 ( -4.967 -5.716 0.347) 7.581 5.987 ( 28.305 20.357 7.817) 35.731 6.687 ( -2.260 -17.245 -14.804) 22.840 7.019 ( -20.023 -0.214 -3.849) 20.391 7.524 ( -9.819 -3.242 -0.643) 10.361 7.985 ( 5.818 -15.415 7.605) 18.146 8.406 ( 0.091 3.299 1.112) 3.483 9.074 ( -0.974 -1.164 -11.291) 11.393 9.357 ( -1.900 -2.190 2.129) 3.597 9.596 ( 4.961 -1.239 2.955) 5.906 10.211 ( -8.432 7.619 -5.518) 12.633 10.429 ( 0.097 -0.699 9.420) 9.446 10.786 ( 7.774 -1.417 -7.547) 10.927 11.400 ( -16.062 0.157 -7.936) 17.916 11.816 ( 1.680 4.181 14.850) 15.519 12.210 ( 4.136 -0.687 -1.992) 4.642 12.558 ( 5.609 -4.128 -8.934) 11.328 13.271 ( -13.014 -2.338 -2.364) 13.432 13.637 ( -4.586 -6.789 -2.927) 8.700 14.250 ( -8.352 7.409 5.725) 12.547 14.760 ( -4.875 -2.363 8.099) 9.744 15.396 ( 9.084 -16.933 19.136) 27.119 16.853 ( 6.775 9.245 0.603) 11.478 18.549 ( -12.534 -0.604 -16.940) 21.081 19.735 ( 5.830 6.233 8.109) 11.773 20.559 ( -1.049 0.152 -15.512) 15.549 21.422 ( 10.792 3.231 -1.950) 11.433 23.343 ( -2.005 -7.041 -9.916) 12.326 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.578 ( 15.479 19.854 11.265) 27.581 4.127 ( 17.256 26.447 13.764) 34.448 5.511 ( -16.182 -9.575 -0.343) 18.806 6.078 ( -12.819 -7.806 -1.641) 15.099 6.412 ( -5.549 -16.074 -11.403) 20.475 6.706 ( -11.659 -2.430 -2.435) 12.156 7.977 ( 31.551 25.014 7.661) 40.986 8.084 ( 14.978 -8.419 7.622) 18.796 8.443 ( -0.273 4.044 1.848) 4.455 8.923 ( -4.433 -0.383 -15.747) 16.364 9.335 ( -1.030 0.028 2.720) 2.909 9.691 ( 4.957 -5.199 9.666) 12.043 10.083 ( -5.175 3.374 -8.505) 10.512 10.513 ( -1.519 5.186 5.598) 7.781 10.828 ( 0.929 -2.932 2.424) 3.916 11.025 ( -15.596 -6.893 -14.974) 22.692 11.826 ( -12.579 5.950 2.683) 14.172 12.221 ( 3.966 -5.493 1.967) 7.055 12.625 ( 10.405 -5.382 -2.528) 11.984 13.087 ( -5.367 -2.244 -4.236) 7.196 13.483 ( -6.893 -1.983 -1.308) 7.291 14.233 ( -5.793 4.884 6.304) 9.857 14.693 ( -4.861 -2.645 6.271) 8.364 15.499 ( 8.379 -14.533 15.051) 22.538 17.076 ( 8.538 8.822 2.410) 12.511 18.243 ( -12.952 2.133 -14.855) 19.824 19.919 ( 3.605 4.579 7.871) 9.793 20.446 ( -1.922 0.180 -12.692) 12.838 21.623 ( 10.558 3.001 -0.421) 10.985 23.176 ( -2.596 -7.807 -7.266) 10.977 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.959 ( 3.511 11.386 4.549) 12.754 4.691 ( 16.736 16.088 12.412) 26.325 5.043 ( -25.938 -9.966 -4.879) 28.212 5.788 ( -5.893 -10.593 0.344) 12.126 6.179 ( -5.740 3.273 -5.061) 8.323 6.641 ( 5.607 -4.091 1.095) 7.027 8.231 ( 6.278 -3.705 4.303) 8.465 8.335 ( -3.910 -3.274 2.340) 5.611 8.639 ( 6.539 8.059 -10.823) 14.994 9.038 ( 22.106 10.759 -0.680) 24.594 9.376 ( 2.877 5.637 4.278) 7.640 9.732 ( -0.615 -9.778 7.511) 12.345 10.005 ( -6.292 4.935 -4.712) 9.282 10.476 ( -17.892 -2.441 -8.388) 19.911 10.532 ( -9.768 4.082 -1.079) 10.642 10.923 ( 11.249 -10.679 0.947) 15.539 11.685 ( -10.702 8.450 0.751) 13.656 12.268 ( 2.771 -2.754 6.410) 7.506 12.716 ( 9.539 -8.003 -3.379) 12.902 12.968 ( -0.588 -7.309 -4.111) 8.407 13.376 ( -5.046 3.141 -1.668) 6.173 14.197 ( -5.389 -2.465 6.520) 8.811 14.643 ( -2.834 2.813 -1.398) 4.231 15.559 ( 5.392 -13.262 10.719) 17.885 17.299 ( 4.815 9.557 -0.060) 10.702 18.031 ( -7.338 4.730 -4.222) 9.698 20.002 ( -1.062 0.375 2.260) 2.525 20.374 ( 0.433 1.707 -7.485) 7.689 21.805 ( 6.247 3.839 1.977) 7.594 23.053 ( 1.267 -6.598 -4.526) 8.101 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.886 ( -16.062 -7.511 2.323) 17.883 4.418 ( -31.558 -8.869 -7.692) 33.671 5.173 ( 17.324 8.570 10.007) 21.765 5.771 ( 9.100 1.893 -4.647) 10.391 6.282 ( 9.185 11.037 8.276) 16.573 6.741 ( 5.789 0.868 1.957) 6.172 8.096 ( -4.423 -7.747 -9.567) 13.081 8.354 ( 0.618 -2.141 2.823) 3.596 8.767 ( 1.991 6.970 -2.730) 7.746 9.125 ( -26.120 -6.861 -1.314) 27.038 9.306 ( -6.909 -2.040 -1.723) 7.407 9.783 ( 14.537 -4.534 6.761) 16.661 9.954 ( -0.960 11.295 -3.109) 11.754 10.232 ( -1.340 -0.934 -10.683) 10.807 10.555 ( 2.131 3.756 4.002) 5.887 11.050 ( 13.141 -6.703 2.337) 14.936 11.669 ( -5.265 11.489 4.795) 13.518 12.313 ( 1.178 -6.479 8.335) 10.623 12.750 ( 6.233 -2.429 -6.186) 9.112 12.878 ( 1.517 -9.466 -3.279) 10.132 13.380 ( 2.288 4.413 0.302) 4.980 14.085 ( -6.052 -7.841 5.210) 11.191 14.634 ( -0.408 7.165 -9.069) 11.565 15.551 ( 2.630 -13.224 6.578) 15.002 17.332 ( -8.549 10.647 -10.223) 17.057 18.109 ( 6.191 6.028 13.313) 15.872 19.924 ( -4.624 -2.534 -5.708) 7.771 20.408 ( 3.464 2.004 0.107) 4.003 21.895 ( -1.987 3.379 3.029) 4.954 23.064 ( 8.348 -3.434 -1.395) 9.134 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( -25.464 -19.611 1.580) 32.180 3.746 ( -36.690 -4.783 -6.772) 37.615 5.541 ( 15.040 4.360 3.585) 16.064 6.000 ( 16.108 1.629 -0.718) 16.206 6.692 ( 8.944 14.015 11.263) 20.082 6.886 ( 11.787 5.308 2.437) 13.155 7.837 ( -27.189 -12.604 -8.667) 31.197 8.074 ( -15.358 -3.761 -13.517) 20.802 8.490 ( -8.033 2.603 3.119) 9.002 9.008 ( 10.480 -7.321 -5.148) 13.782 9.336 ( 1.747 4.592 7.924) 9.324 9.844 ( -4.336 4.755 0.849) 6.491 10.074 ( -3.049 2.524 3.896) 5.554 10.233 ( 10.333 1.515 -7.116) 12.638 10.647 ( 4.104 -1.670 3.103) 5.409 11.229 ( 12.316 -3.996 -2.553) 13.197 11.759 ( -2.134 11.987 5.756) 13.467 12.236 ( -2.571 -15.060 5.398) 16.203 12.782 ( -0.240 -8.829 1.949) 9.045 12.901 ( 10.615 11.384 -5.599) 16.542 13.537 ( 10.181 3.470 3.452) 11.296 13.933 ( -4.805 -9.395 3.376) 11.079 14.652 ( 1.637 8.178 -12.699) 15.193 15.475 ( 0.479 -13.830 2.682) 14.096 17.169 ( -13.926 9.975 -10.568) 20.127 18.408 ( 9.847 5.881 16.962) 20.476 19.769 ( -5.627 -2.825 -7.477) 9.775 20.511 ( 5.701 1.438 3.355) 6.769 21.839 ( -8.873 1.137 2.122) 9.193 23.226 ( 12.284 -0.219 1.390) 12.364 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -31.000 -22.784 1.179) 38.490 3.037 ( -41.515 -1.602 -4.479) 41.787 5.819 ( 6.555 1.533 -0.223) 6.735 5.930 ( -33.377 -12.838 -5.939) 36.251 6.729 ( 6.883 0.699 5.937) 9.116 7.262 ( 4.436 10.779 0.723) 11.678 7.462 ( 17.634 8.355 1.535) 19.574 8.018 ( 8.888 -2.387 -6.289) 11.146 8.471 ( -1.782 3.708 -0.983) 4.230 9.021 ( 6.609 -11.489 -4.066) 13.864 9.503 ( 4.286 6.776 6.993) 10.639 9.782 ( -7.703 5.676 -5.214) 10.897 10.057 ( -4.055 7.223 2.135) 8.554 10.355 ( 3.840 -5.260 6.607) 9.277 10.701 ( 3.078 -2.926 2.908) 5.147 11.278 ( 2.892 -4.986 -8.751) 10.479 11.868 ( -3.087 12.984 1.881) 13.478 12.058 ( -3.501 -16.448 5.029) 17.552 12.750 ( 4.473 -5.778 3.471) 8.089 13.238 ( 13.611 18.893 -0.647) 23.294 13.757 ( 7.947 -8.182 0.166) 11.407 13.845 ( 4.780 -0.215 9.058) 10.244 14.690 ( 2.766 7.842 -12.151) 14.724 15.336 ( -1.220 -14.731 -1.735) 14.883 16.960 ( -14.571 7.676 -7.890) 18.262 18.709 ( 8.935 4.678 13.706) 17.017 19.608 ( -5.895 -2.422 -5.676) 8.534 20.660 ( 7.456 1.503 4.842) 9.016 21.668 ( -12.236 -1.045 0.149) 12.281 23.445 ( 11.336 0.943 3.026) 11.771 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -35.496 -18.737 2.747) 40.232 2.302 ( -45.511 1.685 -0.017) 45.542 4.582 ( -79.683 -16.090 -12.080) 82.184 6.141 ( 17.017 3.016 0.347) 17.286 7.126 ( 26.485 1.441 7.205) 27.486 7.472 ( 9.734 6.896 4.471) 12.740 7.865 ( 18.335 0.042 -4.145) 18.798 8.240 ( 17.740 6.368 1.362) 18.897 8.466 ( -1.091 3.902 -5.059) 6.481 8.992 ( 5.133 -10.268 -2.207) 11.690 9.585 ( -6.119 5.305 -6.317) 10.270 9.727 ( 0.746 4.841 3.792) 6.194 10.064 ( -6.247 4.725 -2.313) 8.167 10.337 ( -3.458 -6.434 13.207) 15.092 10.692 ( -2.788 -4.292 1.413) 5.310 11.220 ( 1.899 -1.151 -4.116) 4.677 11.783 ( -13.820 -0.192 -1.820) 13.941 11.991 ( 2.706 -3.039 3.699) 5.499 12.862 ( 7.630 1.515 2.163) 8.074 13.662 ( 14.393 17.005 2.825) 22.457 13.723 ( 7.227 -11.293 0.495) 13.417 14.112 ( 11.517 2.875 10.145) 15.615 14.745 ( 1.709 7.569 -5.896) 9.745 15.134 ( -2.172 -15.721 -7.798) 17.682 16.748 ( -13.018 4.303 -5.599) 14.810 18.955 ( 7.664 4.406 8.630) 12.354 19.462 ( -5.576 -2.998 -2.711) 6.887 20.832 ( 7.599 1.426 5.231) 9.335 21.434 ( -12.856 -2.062 -2.604) 13.278 23.637 ( 8.331 0.639 3.658) 9.121 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -38.401 -5.529 7.728) 39.559 1.590 ( -47.697 5.430 8.161) 48.694 3.019 ( -89.019 -0.608 -7.494) 89.336 6.433 ( 15.641 -0.071 -0.363) 15.645 7.578 ( 20.658 -0.256 0.251) 20.661 7.778 ( 17.773 2.141 13.708) 22.547 8.059 ( 12.957 -2.798 -6.316) 14.683 8.399 ( -0.716 0.518 -11.683) 11.716 8.649 ( 18.016 1.878 2.537) 18.290 8.978 ( 1.632 -2.331 1.770) 3.351 9.472 ( -4.330 4.986 -10.184) 12.138 9.797 ( -13.778 -11.478 0.350) 17.936 9.823 ( -2.868 4.493 -2.536) 5.903 10.384 ( -2.244 4.416 15.781) 16.541 10.570 ( -7.382 -1.014 0.163) 7.453 11.283 ( 5.608 0.218 0.978) 5.697 11.542 ( -11.485 -2.455 -0.108) 11.745 12.013 ( -0.577 1.101 0.460) 1.325 12.972 ( 3.195 1.680 -4.969) 6.142 13.807 ( 16.245 -13.371 8.824) 22.815 14.072 ( 10.722 18.023 -0.646) 20.981 14.332 ( 7.699 -0.942 2.453) 8.135 14.791 ( -6.560 -2.693 2.297) 7.454 14.926 ( 2.947 -2.998 -4.973) 6.512 16.554 ( -9.597 0.897 -4.038) 10.451 19.149 ( 5.893 5.255 2.316) 8.228 19.336 ( -4.119 -5.047 0.622) 6.545 20.981 ( 6.071 0.138 1.977) 6.386 21.195 ( -10.675 -0.508 -6.493) 12.505 23.770 ( 5.418 0.203 0.216) 5.426 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -11.058 34.216 13.877) 38.544 1.827 ( -12.716 32.423 33.165) 48.093 3.354 ( -45.765 66.987 28.674) 86.046 6.407 ( 7.439 -12.701 -2.969) 15.016 7.297 ( 4.047 -23.965 -24.312) 34.377 7.544 ( 3.532 -5.488 -11.702) 13.399 8.293 ( 8.690 -11.863 13.862) 20.210 8.542 ( 10.965 -7.568 -6.275) 14.727 8.619 ( 6.443 2.991 10.295) 12.507 9.012 ( -4.507 -13.505 3.869) 14.754 9.572 ( -8.433 6.106 -7.729) 12.966 9.633 ( 9.152 12.248 -3.120) 15.605 10.016 ( 2.913 10.787 6.603) 12.978 10.187 ( -6.254 -9.119 -2.421) 11.320 10.533 ( -4.742 5.713 0.449) 7.438 11.298 ( -1.475 -4.126 1.025) 4.500 11.625 ( -3.783 5.591 7.508) 10.097 11.980 ( 1.429 -1.528 -3.099) 3.739 12.997 ( 11.914 4.186 -1.849) 12.762 13.553 ( -10.912 -17.350 -18.664) 27.720 14.069 ( 14.235 -3.758 0.717) 14.740 14.170 ( 6.788 -3.913 -8.599) 11.633 14.759 ( -3.995 5.280 1.140) 6.718 15.312 ( -2.311 -14.629 26.605) 30.449 16.686 ( -1.261 13.151 10.544) 16.904 18.997 ( 9.037 -1.973 -12.632) 15.657 19.347 ( -7.723 0.555 -0.071) 7.743 20.732 ( -4.932 10.816 -26.715) 29.240 21.208 ( -5.114 10.094 -1.107) 11.370 23.509 ( -5.849 2.522 -21.265) 22.198 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 17.638 38.452 21.896) 47.635 2.291 ( 4.246 32.841 35.903) 48.843 3.711 ( -11.578 73.529 26.105) 78.880 6.308 ( -0.279 -15.645 -3.155) 15.963 7.013 ( 3.939 -20.370 -21.730) 30.045 7.450 ( 2.726 -8.901 -13.120) 16.087 8.334 ( 2.742 -9.032 5.550) 10.950 8.417 ( -14.927 -6.519 -2.138) 16.428 8.665 ( 0.467 -17.328 8.914) 19.492 8.990 ( 4.415 -2.029 4.550) 6.656 9.370 ( -8.536 1.903 -4.197) 9.700 9.706 ( -7.644 2.162 -6.614) 10.337 10.064 ( 2.269 3.622 4.246) 6.024 10.227 ( 11.552 0.028 -10.098) 15.344 10.806 ( 8.445 17.677 14.482) 24.362 11.169 ( -2.671 -6.123 -5.806) 8.851 11.707 ( 8.614 -6.210 12.238) 16.203 12.009 ( -1.620 8.134 -4.407) 9.391 12.965 ( -17.022 -1.680 -8.542) 19.119 13.413 ( 21.086 -11.932 -8.901) 25.811 14.054 ( -5.851 -8.073 -0.586) 9.987 14.182 ( 4.150 -5.892 -4.231) 8.357 14.844 ( 5.631 10.370 -1.781) 11.934 15.296 ( -2.428 -14.948 25.835) 29.946 16.783 ( -9.285 11.751 12.694) 19.632 19.004 ( -0.710 -3.993 -13.033) 13.649 19.315 ( 6.825 2.444 0.826) 7.296 20.605 ( -4.800 16.519 -30.746) 35.231 21.223 ( -3.784 8.644 0.742) 9.465 23.360 ( 0.536 1.311 -18.888) 18.941 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 7.300 31.359 29.055) 43.369 2.944 ( 11.983 32.553 26.888) 43.889 4.651 ( 24.807 65.125 18.848) 72.194 6.090 ( -5.863 -13.825 -2.660) 15.251 6.753 ( 1.343 -18.455 -18.741) 26.337 7.310 ( 2.509 -14.162 -11.561) 18.454 8.017 ( -20.383 -6.568 -0.019) 21.415 8.328 ( -2.354 -6.243 -0.230) 6.676 8.429 ( -11.339 -14.493 6.221) 19.425 9.011 ( 1.494 -8.330 4.360) 9.520 9.328 ( 1.950 1.196 -2.318) 3.257 9.575 ( -3.795 3.940 -6.774) 8.707 10.190 ( 9.505 -6.397 5.624) 12.763 10.395 ( 9.918 12.838 -15.594) 22.502 10.777 ( -16.889 -2.673 1.786) 17.193 11.383 ( 17.631 3.643 11.393) 21.305 11.900 ( 10.313 -6.853 2.872) 12.711 11.997 ( -6.198 11.101 2.584) 12.974 12.610 ( -11.788 -4.372 -13.191) 18.223 13.531 ( 9.265 -11.722 -6.892) 16.454 13.806 ( -12.429 -5.769 1.560) 13.791 14.235 ( 9.250 -7.944 3.925) 12.809 15.002 ( -2.864 16.202 -1.566) 16.527 15.243 ( -2.123 -18.774 24.474) 30.918 16.815 ( -7.157 11.898 9.338) 16.733 18.823 ( -4.136 -6.388 -12.485) 14.621 19.519 ( 9.281 6.011 2.918) 11.436 20.520 ( -0.630 11.618 -28.187) 30.494 21.262 ( -1.310 7.672 1.248) 7.882 23.286 ( 3.786 -5.004 -15.098) 16.350 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 4.665 27.641 26.547) 38.608 3.602 ( 14.098 30.563 19.516) 38.907 5.768 ( 24.678 37.659 10.831) 46.309 5.870 ( -1.109 -5.964 1.645) 6.286 6.476 ( -2.453 -15.285 -16.243) 22.438 7.122 ( -1.820 -10.124 -10.574) 14.751 7.678 ( -15.582 -1.561 -2.440) 15.850 7.958 ( -13.092 -17.165 9.700) 23.667 8.397 ( 2.718 1.073 -3.728) 4.737 8.969 ( 2.865 -10.618 -1.084) 11.051 9.349 ( 0.103 -1.285 0.857) 1.548 9.583 ( 1.722 6.624 -2.489) 7.283 10.316 ( 10.599 -8.489 -0.117) 13.580 10.447 ( -11.428 -3.878 -1.535) 12.165 10.591 ( 3.721 10.595 -9.359) 14.618 11.679 ( -5.171 5.894 1.440) 7.972 11.814 ( 2.649 -5.171 9.582) 11.206 12.133 ( 2.858 0.816 1.635) 3.393 12.398 ( 1.125 -3.230 -11.191) 11.702 13.367 ( -7.978 -9.715 -9.081) 15.508 13.657 ( -4.136 -3.797 5.312) 7.729 14.330 ( 5.477 -6.959 7.626) 11.687 14.989 ( -13.613 10.028 2.575) 17.102 15.236 ( 4.651 -14.756 22.146) 27.015 16.901 ( -0.444 10.573 4.693) 11.576 18.606 ( -6.974 -3.140 -13.879) 15.847 19.754 ( 7.113 8.230 7.010) 12.941 20.449 ( 0.917 5.003 -23.721) 24.260 21.352 ( 3.277 7.018 0.803) 7.787 23.186 ( 2.356 -9.647 -12.281) 15.793 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.717 ( 6.096 25.377 18.842) 32.190 4.201 ( 13.786 24.191 14.355) 31.326 5.673 ( -11.020 -5.753 4.582) 13.248 6.147 ( 0.409 -21.973 3.248) 22.215 6.254 ( -8.972 5.134 -13.467) 16.977 6.914 ( -14.703 -2.865 -11.418) 18.835 7.715 ( 21.530 11.917 4.062) 24.941 7.915 ( 9.194 2.109 9.990) 13.740 8.426 ( 3.286 0.002 -5.250) 6.194 8.879 ( 0.101 -6.988 -9.093) 11.468 9.320 ( -1.132 -4.950 4.128) 6.544 9.705 ( 3.006 6.958 5.580) 9.412 10.160 ( -9.566 -0.904 -6.117) 11.390 10.474 ( 15.177 -12.675 -1.342) 19.819 10.669 ( -2.425 9.813 -4.746) 11.167 11.396 ( -23.606 5.114 -4.437) 24.557 12.019 ( 4.757 -0.543 9.314) 10.473 12.066 ( 0.612 -10.335 0.103) 10.354 12.412 ( 5.836 -0.777 -6.263) 8.596 13.085 ( -6.859 -10.637 -8.109) 15.031 13.583 ( -5.846 -0.830 3.257) 6.743 14.358 ( -0.964 -5.175 8.552) 10.042 14.854 ( -10.837 2.818 3.151) 11.632 15.334 ( 5.385 -11.043 19.860) 23.353 17.061 ( 5.569 9.639 2.772) 11.472 18.380 ( -9.753 2.432 -12.711) 16.205 19.973 ( 3.329 7.077 9.616) 12.395 20.362 ( 0.979 2.495 -20.639) 20.813 21.516 ( 7.821 6.683 1.482) 10.394 23.040 ( 0.916 -11.918 -9.996) 15.582 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.110 ( 1.954 19.724 10.441) 22.402 4.668 ( 11.757 13.553 9.888) 20.486 5.360 ( -21.302 -6.047 2.383) 22.272 5.812 ( -13.333 -17.457 0.804) 21.981 6.213 ( 4.163 7.698 -5.913) 10.562 6.597 ( -7.810 -5.414 -3.326) 10.068 8.060 ( 14.725 -3.654 7.573) 16.957 8.305 ( 5.157 -3.222 -0.036) 6.082 8.496 ( 10.314 6.911 -14.194) 18.858 8.854 ( 11.200 11.754 -3.677) 16.647 9.299 ( 4.254 -9.369 6.156) 11.990 9.836 ( -2.741 8.391 8.887) 12.526 10.049 ( -0.090 2.597 -6.550) 7.047 10.560 ( 6.584 -7.926 -7.669) 12.845 10.640 ( -6.461 4.691 -1.059) 8.054 10.987 ( -24.970 0.751 0.103) 24.982 11.897 ( -7.795 2.367 -2.390) 8.490 12.179 ( 8.467 -12.649 12.733) 19.845 12.477 ( 7.081 0.914 -6.725) 9.808 12.854 ( -1.839 -13.616 -6.043) 15.010 13.489 ( -6.512 1.683 -0.746) 6.767 14.304 ( -5.240 -6.095 8.487) 11.688 14.743 ( -6.581 3.313 -1.779) 7.579 15.411 ( 4.106 -12.945 16.205) 21.143 17.291 ( 8.152 10.180 1.608) 13.141 18.205 ( -9.046 7.209 -6.139) 13.095 20.051 ( -3.074 0.213 0.576) 3.135 20.329 ( 2.544 5.485 -9.468) 11.234 21.745 ( 9.121 7.549 3.543) 12.358 22.892 ( 2.476 -12.182 -8.052) 14.811 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.138 ( -16.831 -0.708 4.199) 17.361 4.826 ( -20.319 0.728 -1.420) 20.381 5.090 ( 3.007 4.994 9.494) 11.141 5.623 ( 4.669 -2.811 -4.534) 7.089 6.325 ( 2.649 8.491 4.458) 9.949 6.617 ( 10.566 0.485 3.038) 11.005 8.063 ( -7.174 -11.624 -8.277) 15.971 8.312 ( 5.014 -2.128 5.335) 7.624 8.585 ( 11.153 1.072 -12.378) 16.696 9.207 ( 7.093 3.796 1.951) 8.278 9.465 ( 21.875 -1.929 5.386) 22.611 9.768 ( -30.601 7.280 1.794) 31.506 10.067 ( -0.229 6.762 -4.240) 7.985 10.252 ( -11.413 -2.168 -11.895) 16.626 10.619 ( -4.072 3.145 1.861) 5.472 10.856 ( 5.836 -3.009 5.188) 8.368 11.833 ( -2.295 -0.570 4.208) 4.827 12.228 ( 3.825 -10.734 7.536) 13.662 12.597 ( 7.923 6.799 -6.520) 12.309 12.704 ( 3.286 -14.178 -2.161) 14.713 13.415 ( -2.922 2.350 -1.990) 4.245 14.177 ( -8.014 -7.088 7.106) 12.844 14.675 ( -3.254 5.126 -7.591) 9.720 15.412 ( 2.216 -15.313 11.746) 19.426 17.464 ( -0.077 11.478 -7.619) 13.776 18.201 ( -0.194 9.031 8.614) 12.482 19.934 ( -4.610 -2.853 -8.583) 10.152 20.396 ( 1.617 4.683 1.084) 5.072 21.952 ( 2.997 6.503 4.205) 8.304 22.834 ( 9.391 -9.163 -5.747) 14.323 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.700 ( -27.379 -12.672 3.436) 30.364 4.332 ( -35.477 4.022 -0.993) 35.718 5.359 ( 13.168 2.496 5.795) 14.602 5.743 ( 13.484 -0.245 -4.990) 14.380 6.618 ( 17.744 6.266 8.056) 20.469 6.844 ( 6.930 9.495 4.762) 12.683 7.792 ( -3.846 -12.599 -6.852) 14.848 8.313 ( -6.433 0.951 -6.430) 9.145 8.722 ( 11.267 -3.473 -5.805) 13.142 8.986 ( -49.065 -3.830 -3.847) 49.364 9.312 ( 5.109 -1.501 5.622) 7.744 9.799 ( 13.812 -1.900 -2.724) 14.206 10.168 ( 2.249 10.852 0.901) 11.119 10.190 ( -3.106 9.164 0.375) 9.683 10.608 ( 1.473 0.015 1.007) 1.784 10.999 ( 10.093 -2.737 1.122) 10.517 11.832 ( 2.861 -9.060 7.141) 11.885 12.211 ( -2.597 -1.344 4.214) 5.129 12.606 ( 5.143 -12.272 -5.264) 14.310 12.848 ( 10.594 12.551 1.021) 16.457 13.440 ( 4.745 1.327 0.103) 4.928 14.005 ( -8.888 -6.544 5.005) 12.119 14.642 ( -0.498 6.362 -10.574) 12.351 15.337 ( 0.456 -17.166 7.776) 18.850 17.411 ( -10.274 11.165 -12.993) 19.976 18.437 ( 7.065 8.709 15.091) 18.802 19.775 ( -4.379 -3.614 -8.098) 9.890 20.479 ( 2.634 2.735 3.787) 5.362 21.974 ( -5.903 0.573 0.632) 5.965 22.976 ( 16.123 -2.284 -1.887) 16.393 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( -31.823 -12.034 4.223) 34.283 3.749 ( -41.078 5.815 1.856) 41.529 5.610 ( 13.841 0.655 1.280) 13.916 5.968 ( 13.317 -4.319 0.484) 14.008 6.873 ( 1.572 -2.950 -2.010) 3.901 7.162 ( 9.942 15.664 10.810) 21.473 7.572 ( -11.293 -7.269 -6.881) 15.091 7.884 ( -17.906 0.096 -11.882) 21.490 8.520 ( -5.728 -2.117 0.814) 6.161 8.816 ( 6.881 -3.275 -2.074) 7.898 9.451 ( 7.783 0.525 5.963) 9.819 9.821 ( 0.573 -3.782 -12.486) 13.059 10.233 ( -4.043 7.744 -1.522) 8.868 10.306 ( 3.000 1.370 10.301) 10.816 10.701 ( 1.737 5.387 7.697) 9.554 11.122 ( 8.043 -1.062 -3.448) 8.815 11.828 ( 5.342 -14.975 5.966) 16.982 12.176 ( -7.950 7.764 2.403) 11.369 12.577 ( 7.568 -8.855 -1.706) 11.773 13.202 ( 13.723 16.747 1.708) 21.718 13.567 ( 8.222 -3.406 1.066) 8.963 13.858 ( -3.762 -3.205 5.137) 7.128 14.660 ( 1.958 8.000 -9.553) 12.613 15.194 ( -1.426 -18.614 3.878) 19.068 17.224 ( -14.115 8.331 -11.525) 20.037 18.715 ( 7.030 7.885 10.158) 14.655 19.630 ( -4.298 -4.676 -3.406) 7.207 20.591 ( 5.503 1.738 4.386) 7.248 21.814 ( -9.699 -3.135 -3.813) 10.883 23.240 ( 15.547 1.230 0.243) 15.598 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -34.934 -4.941 6.538) 35.883 3.121 ( -44.640 6.405 5.525) 45.434 5.630 ( -54.643 -3.342 -3.416) 54.851 5.869 ( 15.735 -0.573 -0.176) 15.746 6.830 ( 11.992 1.986 3.783) 12.731 7.332 ( 10.114 -3.347 -2.366) 10.913 7.634 ( 8.923 9.768 -1.700) 13.339 7.904 ( 21.316 -7.171 -3.199) 22.716 8.458 ( -1.316 -2.047 -2.366) 3.394 8.896 ( 3.485 3.664 2.126) 5.486 9.588 ( 1.948 -0.720 -5.316) 5.707 9.717 ( 2.728 -0.500 -4.582) 5.356 10.138 ( -7.167 -7.618 1.199) 10.528 10.428 ( 3.728 0.761 6.841) 7.828 10.782 ( -5.021 8.660 4.594) 11.014 11.210 ( 0.868 3.884 3.673) 5.415 11.774 ( 2.892 -17.974 4.532) 18.761 12.120 ( -9.235 10.352 -0.753) 13.893 12.699 ( 12.244 0.454 -1.467) 12.340 13.506 ( 4.139 -13.004 3.622) 14.119 13.650 ( 11.768 17.397 -3.046) 21.223 13.981 ( 10.956 0.751 8.473) 13.871 14.755 ( 4.022 10.730 -3.764) 12.061 14.986 ( -3.521 -18.513 0.455) 18.851 16.978 ( -14.882 3.825 -8.836) 17.725 18.933 ( 6.683 6.975 1.487) 9.774 19.498 ( -5.081 -6.371 2.608) 8.556 20.738 ( 7.544 0.607 3.332) 8.270 21.576 ( -11.178 -2.360 -7.489) 13.661 23.484 ( 12.074 1.245 -0.016) 12.138 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -35.281 7.840 11.468) 37.918 2.465 ( -46.416 4.141 7.878) 47.262 4.502 ( -78.918 17.512 2.602) 80.880 6.130 ( 17.336 -3.122 -1.353) 17.667 7.209 ( 23.898 -1.033 4.322) 24.308 7.478 ( 16.536 -12.067 -3.076) 20.701 7.841 ( 10.826 7.386 -3.424) 13.546 8.216 ( 24.359 -9.728 -2.594) 26.357 8.385 ( -2.150 -2.466 -4.484) 5.551 9.039 ( 1.815 10.936 6.860) 13.036 9.481 ( -1.597 -0.721 -10.370) 10.517 9.741 ( -1.690 -6.424 -12.952) 14.556 9.961 ( -5.860 -3.339 13.234) 14.853 10.490 ( 0.868 -4.609 3.809) 6.042 10.774 ( -8.699 11.096 0.065) 14.099 11.270 ( -1.258 1.656 9.216) 9.447 11.651 ( -3.836 -9.587 4.827) 11.399 12.081 ( -4.846 6.956 -1.889) 8.685 12.866 ( 6.274 3.243 -10.062) 12.293 13.489 ( 12.004 -14.215 7.803) 20.175 13.991 ( 13.269 9.363 -7.733) 17.987 14.185 ( 6.857 -4.720 5.360) 9.901 14.739 ( -2.440 -13.756 -1.368) 14.037 14.994 ( 4.530 15.808 10.677) 19.607 16.717 ( -12.822 0.297 -5.773) 14.065 19.066 ( 6.306 0.226 -8.994) 10.987 19.394 ( -5.011 -2.609 8.887) 10.531 20.861 ( 6.583 -2.018 -2.172) 7.219 21.342 ( -10.884 3.615 -8.351) 14.187 23.647 ( 7.844 -0.101 -3.471) 8.579 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -27.166 24.174 9.753) 37.649 2.557 ( -18.187 28.544 26.602) 43.048 4.887 ( -49.036 53.957 21.122) 75.908 6.116 ( 10.612 -12.150 -2.141) 16.273 6.850 ( 5.965 -21.680 -19.898) 30.026 7.367 ( 6.811 -1.211 -7.196) 9.982 7.962 ( 20.802 -17.920 3.564) 27.686 8.283 ( 9.169 -6.066 6.345) 12.694 8.584 ( 6.989 0.839 7.955) 10.623 9.000 ( -7.043 -9.866 -1.631) 12.231 9.512 ( 11.776 13.316 -11.399) 21.117 9.724 ( -5.078 0.295 -3.749) 6.319 9.986 ( 3.213 4.702 -1.624) 5.922 10.328 ( -10.246 -5.854 8.022) 14.268 10.625 ( -2.639 2.232 -5.602) 6.582 11.347 ( -4.329 -2.856 7.631) 9.227 11.797 ( -12.873 -5.528 -2.836) 14.294 11.916 ( 6.268 6.883 -1.957) 9.513 12.784 ( 9.200 -1.326 -4.825) 10.472 13.481 ( -1.921 -11.303 -12.619) 17.050 13.810 ( 9.775 -3.358 6.195) 12.050 13.944 ( 7.975 -7.572 -7.017) 13.045 14.859 ( -1.963 1.376 3.860) 4.543 15.383 ( -4.118 -11.560 19.730) 23.235 16.914 ( 0.857 19.306 12.698) 23.123 18.732 ( 9.619 -3.952 -15.069) 18.309 19.499 ( -9.110 1.566 0.250) 9.247 20.671 ( 1.823 -0.419 -13.253) 13.385 21.418 ( -6.896 13.510 -2.958) 15.454 23.457 ( -1.640 -4.380 -13.883) 14.650 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 4.947 38.565 18.161) 42.913 2.820 ( -5.850 31.563 29.347) 43.493 4.892 ( -31.049 58.213 21.982) 69.541 6.098 ( 4.968 -14.974 -2.712) 16.008 6.626 ( 4.496 -16.682 -18.519) 25.327 7.327 ( -2.279 -3.338 -9.275) 10.117 8.110 ( 13.684 -14.699 2.886) 20.289 8.429 ( 9.672 -7.077 6.100) 13.447 8.538 ( -6.486 -16.287 3.174) 17.816 8.923 ( 3.082 -3.847 3.442) 6.011 9.508 ( -7.006 -2.679 -9.202) 11.872 9.771 ( 1.528 9.106 -8.977) 12.878 9.955 ( -2.608 -11.822 0.716) 12.127 10.192 ( -2.687 7.980 -3.274) 9.034 10.782 ( 13.545 10.851 3.735) 17.753 11.289 ( -8.582 0.648 5.626) 10.282 11.558 ( 0.747 -11.982 0.317) 12.010 12.076 ( 1.811 10.100 -2.730) 10.618 12.941 ( 16.855 -10.613 -4.526) 20.426 13.161 ( -14.018 -3.222 -7.953) 16.436 13.924 ( 7.464 -8.190 -1.794) 11.226 14.042 ( 7.726 -3.523 -2.720) 8.916 14.814 ( 0.883 1.561 -0.974) 2.041 15.379 ( -2.286 -9.359 24.066) 25.922 17.152 ( -6.322 17.360 17.978) 25.779 18.811 ( 10.468 0.294 -16.594) 19.622 19.324 ( -7.297 -1.905 -1.556) 7.700 20.612 ( -0.818 4.226 -16.360) 16.916 21.417 ( -6.641 12.646 -2.093) 14.437 23.275 ( -3.245 -4.114 -15.913) 16.753 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 14.556 33.451 21.528) 42.359 3.280 ( 3.480 30.886 27.758) 41.672 5.234 ( -5.577 52.172 16.243) 54.926 5.999 ( 0.172 -9.809 -0.918) 9.853 6.460 ( 2.351 -10.223 -14.973) 18.281 7.149 ( -4.589 -8.540 -8.659) 12.999 8.163 ( -0.436 -7.860 -0.401) 7.882 8.244 ( -4.771 -16.459 1.874) 17.238 8.457 ( -2.982 -10.064 5.209) 11.718 8.924 ( 1.908 -9.676 -0.236) 9.865 9.343 ( -4.716 0.284 -4.852) 6.773 9.651 ( -5.248 -2.757 -3.086) 6.684 9.861 ( 7.132 -13.193 -5.208) 15.876 10.373 ( 8.031 19.209 -8.953) 22.664 10.998 ( -6.981 -5.530 -4.076) 9.794 11.237 ( 6.502 4.897 14.057) 16.243 11.650 ( 14.336 -4.285 5.604) 15.978 12.126 ( -1.115 6.005 -5.338) 8.111 12.741 ( -15.064 -8.137 -7.494) 18.689 13.187 ( 14.801 -8.153 -1.286) 16.947 13.911 ( -5.226 -6.022 -0.839) 8.018 14.033 ( 6.824 -5.521 -0.445) 8.789 14.984 ( 12.083 5.205 1.263) 13.217 15.362 ( -6.841 -6.536 19.143) 21.354 17.237 ( -15.427 15.541 19.186) 29.114 18.742 ( -2.861 -4.728 -15.940) 16.871 19.376 ( 12.682 3.163 -0.326) 13.074 20.519 ( -3.852 6.869 -19.318) 20.861 21.416 ( -5.648 10.882 -1.214) 12.320 23.108 ( 0.219 -6.482 -14.541) 15.922 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( 7.704 24.441 20.119) 32.580 3.819 ( 7.925 28.267 23.872) 37.838 5.739 ( 12.518 5.775 1.748) 13.896 5.984 ( -1.471 10.067 9.967) 14.243 6.357 ( -1.716 14.316 -12.636) 19.172 6.954 ( -0.964 -9.248 -9.040) 12.968 7.879 ( -11.870 -10.155 2.279) 15.786 8.097 ( -14.859 -14.662 6.555) 21.880 8.300 ( 2.123 -3.664 -7.656) 8.749 8.811 ( 0.617 -13.060 -3.059) 13.428 9.326 ( 2.094 0.834 -1.158) 2.534 9.610 ( 1.285 1.441 0.981) 2.166 9.889 ( 16.073 -11.983 -8.493) 21.773 10.610 ( 4.018 10.931 -6.610) 13.391 10.692 ( -16.254 0.632 -2.543) 16.464 11.499 ( 16.074 -11.009 12.237) 23.006 11.852 ( 2.994 4.318 -2.876) 5.990 12.150 ( 3.294 2.539 0.561) 4.197 12.389 ( -13.175 -4.543 -6.127) 15.224 13.248 ( 3.753 -12.746 -3.321) 13.696 13.739 ( -6.244 -3.488 1.913) 7.403 14.150 ( 9.997 -5.511 4.108) 12.132 15.175 ( 0.248 -13.341 19.971) 24.018 15.309 ( -3.979 14.778 -1.433) 15.371 17.198 ( -16.472 12.058 15.415) 25.580 18.560 ( -2.310 -4.536 -12.264) 13.279 19.679 ( 15.534 6.896 2.357) 17.159 20.392 ( -4.078 5.858 -20.568) 21.771 21.434 ( -2.784 9.348 -0.548) 9.769 22.971 ( 2.240 -10.267 -12.448) 16.290 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.971 ( 6.073 20.198 13.254) 24.910 4.330 ( 7.746 22.528 19.721) 30.926 5.801 ( -0.848 -0.597 4.440) 4.560 5.940 ( -2.629 -18.389 3.327) 18.871 6.476 ( -11.179 14.032 -8.408) 19.814 6.909 ( 2.178 2.135 -11.351) 11.753 7.680 ( -5.209 1.163 0.460) 5.357 7.875 ( 3.148 -0.298 9.121) 9.653 8.277 ( 5.425 -7.501 -8.881) 12.828 8.707 ( 3.316 -8.467 -5.260) 10.505 9.337 ( -1.128 -1.493 0.599) 1.965 9.713 ( 6.403 2.078 3.960) 7.810 10.056 ( 18.104 -4.683 -4.587) 19.255 10.327 ( -14.629 -5.594 -3.886) 16.137 10.783 ( -0.139 13.302 -4.656) 14.094 11.680 ( 10.702 -18.254 7.452) 22.434 11.752 ( -9.518 3.329 -4.395) 10.999 12.145 ( -6.663 1.977 -2.583) 7.415 12.316 ( 6.433 0.241 0.783) 6.485 13.033 ( -7.316 -15.011 -6.604) 17.957 13.674 ( -3.236 -1.783 4.472) 5.801 14.269 ( 7.351 -6.619 5.148) 11.152 15.035 ( -9.514 -11.510 13.595) 20.194 15.436 ( -3.235 13.537 4.414) 14.601 17.165 ( -6.557 7.809 9.867) 14.190 18.432 ( -3.177 0.190 -8.963) 9.511 20.013 ( 11.039 9.088 8.019) 16.394 20.252 ( -2.416 2.893 -21.729) 22.053 21.512 ( 2.461 8.663 0.438) 9.016 22.827 ( 2.008 -13.119 -10.451) 16.893 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.306 ( 5.616 15.811 5.437) 17.638 4.712 ( 4.824 14.279 14.568) 20.962 5.625 ( -15.399 -9.528 7.843) 19.734 5.861 ( -3.425 -6.952 4.217) 8.823 6.272 ( -9.552 9.388 -7.398) 15.301 6.674 ( -12.003 -8.143 -8.479) 16.801 7.812 ( 14.355 -1.457 4.575) 15.137 8.144 ( 8.726 -4.991 -0.537) 10.067 8.265 ( 12.265 2.881 -15.665) 20.103 8.761 ( 9.694 6.986 0.603) 11.964 9.265 ( -4.439 -5.370 3.033) 7.598 9.871 ( 8.882 -1.328 2.660) 9.366 10.085 ( -6.551 1.928 -5.592) 8.826 10.333 ( 14.351 4.896 2.236) 15.327 10.805 ( -6.501 7.029 -3.173) 10.086 11.390 ( -23.042 -0.755 -5.490) 23.699 11.787 ( 10.383 -22.115 6.570) 25.299 12.092 ( -1.902 5.971 -2.219) 6.648 12.418 ( 4.164 2.321 1.456) 4.985 12.724 ( -5.578 -16.670 -5.902) 18.543 13.604 ( -6.118 -0.666 1.200) 6.270 14.311 ( 1.727 -7.006 4.969) 8.762 14.859 ( -7.663 -6.337 4.730) 11.012 15.478 ( -7.407 5.056 9.308) 12.926 17.274 ( 4.760 7.071 6.030) 10.441 18.351 ( -4.677 5.427 -4.515) 8.468 20.083 ( -4.519 -0.500 -13.929) 14.652 20.302 ( 6.591 9.037 3.746) 11.795 21.699 ( 8.563 9.731 2.652) 13.231 22.667 ( 2.035 -14.639 -9.037) 17.324 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.405 ( -9.270 0.630 1.538) 9.418 4.961 ( 3.078 9.749 10.027) 14.320 5.381 ( -15.071 2.908 2.703) 15.585 5.576 ( -13.141 -6.847 -0.861) 14.843 6.370 ( 1.699 4.107 -0.747) 4.507 6.479 ( 6.181 -0.449 1.426) 6.359 7.944 ( 2.425 -13.424 -5.073) 14.554 8.198 ( 11.161 -1.377 6.782) 13.132 8.365 ( 6.966 3.739 -18.484) 20.104 9.139 ( 16.717 -4.385 5.383) 18.101 9.187 ( 2.532 7.769 2.329) 8.497 9.989 ( 8.638 -0.293 -2.756) 9.071 10.109 ( 1.469 11.781 0.328) 11.877 10.490 ( -16.004 5.892 -7.025) 18.445 10.720 ( -1.209 1.943 5.489) 5.947 10.930 ( -20.158 -5.516 -2.078) 21.002 11.727 ( 4.477 -19.352 3.484) 20.166 12.158 ( 3.497 3.632 1.090) 5.158 12.469 ( 2.279 -13.548 -5.657) 14.857 12.575 ( 4.473 4.680 2.898) 7.093 13.492 ( -6.096 0.227 -1.658) 6.322 14.254 ( -3.965 -6.550 4.404) 8.833 14.728 ( -4.376 -1.729 -2.638) 5.394 15.415 ( -7.519 -3.524 9.743) 12.802 17.469 ( 5.970 7.880 -1.445) 9.991 18.354 ( -2.060 8.763 4.484) 10.057 19.909 ( -3.845 -2.733 -14.560) 15.305 20.461 ( 0.223 6.131 6.868) 9.209 21.977 ( 7.617 10.698 5.189) 14.121 22.535 ( 7.008 -13.989 -8.660) 17.883 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.075 ( -24.792 -7.869 4.632) 26.420 4.929 ( -27.416 9.244 -0.318) 28.934 5.277 ( 3.462 4.321 8.124) 9.831 5.496 ( 8.117 -4.387 -7.967) 12.190 6.423 ( 9.743 -5.291 4.533) 11.978 6.765 ( 15.419 7.310 1.910) 17.171 7.748 ( -6.612 -8.130 -4.504) 11.406 8.321 ( 1.452 2.974 -6.130) 6.967 8.494 ( 12.058 0.313 0.503) 12.073 9.174 ( 6.271 -7.642 3.683) 10.549 9.506 ( 13.016 2.043 -5.775) 14.386 9.830 ( -47.980 0.200 -3.811) 48.132 10.203 ( 7.943 10.074 3.186) 13.218 10.305 ( 4.102 12.903 -0.267) 13.542 10.619 ( -4.642 -1.680 -1.097) 5.057 10.856 ( 4.653 -7.387 5.579) 10.361 11.656 ( 4.896 -15.525 3.594) 16.671 12.251 ( 3.667 0.416 0.409) 3.713 12.374 ( 4.460 -10.422 -1.627) 11.453 12.797 ( 9.628 11.863 0.444) 15.284 13.422 ( -1.380 0.953 -0.269) 1.699 14.120 ( -7.725 -5.458 3.116) 9.959 14.653 ( -1.514 2.452 -6.284) 6.913 15.291 ( -6.372 -9.479 8.026) 13.960 17.537 ( -2.771 7.945 -10.645) 13.569 18.513 ( 4.027 9.052 11.343) 15.061 19.743 ( -2.837 -4.413 -10.050) 11.337 20.530 ( -1.372 3.096 6.747) 7.550 22.066 ( -5.405 -0.450 -0.062) 5.424 22.644 ( 19.431 -1.594 -3.203) 19.758 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.583 ( -30.242 -4.911 6.854) 31.395 4.475 ( -36.410 8.525 0.818) 37.404 5.436 ( 8.508 -0.061 1.056) 8.573 5.652 ( 17.876 -3.209 0.760) 18.177 6.589 ( 15.369 -7.590 -3.268) 17.450 7.102 ( 19.241 0.363 -0.341) 19.247 7.568 ( -8.706 0.424 1.411) 8.830 8.282 ( -10.399 6.395 -7.994) 14.592 8.694 ( 9.121 2.372 4.775) 10.565 8.850 ( -42.450 -2.448 -7.042) 43.100 9.377 ( 4.258 -1.932 11.140) 12.081 9.608 ( 7.116 -5.883 -12.262) 15.349 10.263 ( -2.863 -3.756 -0.337) 4.735 10.427 ( -2.695 9.695 -1.203) 10.134 10.762 ( 5.795 3.591 8.640) 11.006 10.970 ( 13.406 5.965 7.055) 16.281 11.611 ( 4.897 -15.872 1.640) 16.691 12.271 ( 5.163 -8.550 -1.352) 10.079 12.405 ( 1.833 3.947 1.468) 4.593 13.090 ( 13.564 9.035 -2.742) 16.527 13.479 ( 4.128 3.263 3.941) 6.574 13.952 ( -7.836 -3.995 2.268) 9.083 14.661 ( 1.473 7.357 -5.508) 9.307 15.122 ( -6.048 -12.937 5.322) 15.241 17.423 ( -10.118 6.193 -12.371) 17.140 18.728 ( 5.534 6.461 4.672) 9.705 19.623 ( -2.067 -5.390 -0.471) 5.792 20.579 ( 1.009 0.901 5.419) 5.586 21.896 ( -8.266 -4.476 -5.420) 10.851 22.976 ( 18.480 3.312 -0.165) 18.775 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( -32.192 2.711 8.759) 33.473 3.915 ( -40.711 5.542 2.901) 41.189 5.606 ( 13.111 -1.882 -0.327) 13.249 5.940 ( 11.487 -0.392 6.763) 13.336 6.717 ( 11.464 -4.411 -9.225) 15.362 7.265 ( 5.754 -17.125 -6.883) 19.333 7.552 ( -2.663 11.815 8.214) 14.635 7.821 ( -28.160 7.864 -9.126) 30.628 8.464 ( -4.219 -3.854 0.300) 5.722 8.919 ( 6.324 10.437 7.012) 14.075 9.498 ( 1.837 -3.420 -7.944) 8.842 9.574 ( 7.788 -4.612 -1.027) 9.109 10.183 ( -2.431 -7.672 7.490) 10.994 10.395 ( -2.231 -0.784 -2.792) 3.659 10.905 ( 3.746 8.069 -3.465) 9.547 11.322 ( 2.921 11.901 17.995) 21.771 11.535 ( 5.972 -17.338 -0.967) 18.363 12.266 ( 1.701 -2.457 -2.506) 3.899 12.521 ( 6.839 5.118 1.376) 8.652 13.310 ( 9.299 -6.579 -1.848) 11.540 13.607 ( 4.350 7.433 -3.414) 9.264 13.917 ( 4.315 0.643 9.708) 10.643 14.760 ( 1.933 4.844 -2.841) 5.939 14.944 ( -3.542 -4.867 4.793) 7.694 17.191 ( -14.154 2.276 -10.236) 17.615 18.847 ( 6.043 0.635 -8.146) 10.162 19.562 ( -3.800 -3.689 9.987) 11.305 20.650 ( 4.595 -1.221 2.687) 5.461 21.681 ( -9.164 -0.722 -7.770) 12.036 23.274 ( 14.535 1.987 -0.794) 14.691 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -31.518 13.029 11.353) 35.945 3.279 ( -43.541 2.165 4.897) 43.869 5.768 ( -17.258 7.931 2.180) 19.118 5.862 ( -11.910 6.702 4.205) 14.298 6.866 ( 16.941 -0.012 -0.255) 16.943 7.092 ( 6.086 -14.058 -7.644) 17.120 7.591 ( 14.269 -12.156 -6.474) 19.831 7.885 ( 9.443 11.901 3.420) 15.573 8.388 ( -2.238 -2.896 -0.314) 3.674 9.163 ( 2.706 12.935 6.804) 14.864 9.387 ( 1.722 -4.612 -11.696) 12.690 9.627 ( 2.034 -4.695 -4.176) 6.604 10.116 ( -6.968 -4.897 15.728) 17.886 10.378 ( 5.590 -2.715 -5.621) 8.379 10.931 ( -4.223 2.913 -7.080) 8.743 11.446 ( -4.533 0.773 11.358) 12.254 11.540 ( 7.018 -5.516 5.988) 10.749 12.239 ( -5.149 4.401 -1.570) 6.953 12.720 ( 9.536 5.546 -6.632) 12.871 13.254 ( 3.022 -14.783 3.015) 15.387 13.767 ( 11.921 2.158 -9.811) 15.590 14.100 ( 4.905 -3.414 10.184) 11.808 14.654 ( -0.930 -9.811 2.221) 10.102 15.141 ( 5.437 19.204 9.407) 22.064 16.904 ( -14.142 -0.501 -6.262) 15.475 18.846 ( 6.603 -7.348 -15.496) 18.377 19.546 ( -5.257 1.757 12.627) 13.790 20.717 ( 5.509 -3.647 -2.707) 7.140 21.511 ( -8.926 6.640 -6.984) 13.136 23.472 ( 10.131 -0.966 -3.379) 10.723 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -29.217 18.141 6.731) 35.043 3.278 ( -20.614 25.173 21.436) 38.964 5.811 ( 11.188 -10.973 -1.089) 15.709 6.000 ( -20.428 11.998 0.522) 23.697 6.574 ( -3.652 0.325 -9.053) 9.767 7.265 ( 12.865 3.197 0.754) 13.278 7.466 ( 8.630 -2.079 2.659) 9.266 8.192 ( 1.173 -6.864 11.452) 13.403 8.508 ( 5.863 -0.954 2.968) 6.640 9.040 ( -8.625 -7.232 -2.079) 11.446 9.336 ( 13.802 9.255 -11.101) 19.985 9.718 ( -5.608 -6.495 -11.762) 14.559 10.031 ( 2.387 9.191 4.551) 10.530 10.439 ( -2.802 -6.031 10.854) 12.729 10.623 ( -1.544 -0.945 -5.740) 6.018 11.372 ( 2.400 -4.603 -1.040) 5.295 11.804 ( -1.532 -7.087 -4.756) 8.671 11.964 ( -6.251 1.412 -4.699) 7.947 12.696 ( -2.191 -0.866 -0.196) 2.364 13.221 ( 13.136 -5.803 -2.738) 14.619 13.693 ( 8.924 -6.317 -5.263) 12.134 13.804 ( -6.345 -4.883 3.104) 8.587 14.894 ( 2.692 0.343 7.506) 7.982 15.454 ( -5.080 -10.642 12.904) 17.481 17.172 ( 2.568 22.713 15.370) 27.545 18.425 ( 10.501 -5.101 -16.964) 20.593 19.670 ( -9.484 1.255 0.246) 9.570 20.546 ( 3.231 -2.106 -8.085) 8.958 21.629 ( -5.756 12.127 -3.352) 13.836 23.321 ( 1.970 -7.787 -9.625) 12.536 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -8.907 31.362 15.284) 36.007 3.410 ( -11.289 29.311 22.252) 38.493 5.753 ( -9.147 -3.175 -4.123) 10.524 5.891 ( 0.571 0.442 4.240) 4.301 6.497 ( -7.538 13.931 -6.474) 17.112 7.366 ( -4.871 4.924 -1.048) 7.005 7.678 ( 20.442 -9.953 2.012) 22.825 8.236 ( 5.361 -12.524 12.938) 18.788 8.512 ( -1.192 -5.897 -2.685) 6.588 8.871 ( -2.219 -6.982 0.504) 7.344 9.377 ( 0.051 -15.834 -10.955) 19.254 9.721 ( 9.484 17.167 -14.692) 24.506 10.059 ( -10.021 -0.505 3.200) 10.532 10.320 ( -8.076 -3.033 4.708) 9.828 10.692 ( 8.184 6.216 -0.110) 10.278 11.359 ( 0.758 -6.079 5.431) 8.187 11.487 ( -5.201 -7.910 -10.799) 14.361 12.109 ( 4.828 8.281 -0.740) 9.614 12.649 ( 3.857 -9.163 0.223) 9.944 13.224 ( -3.171 -4.734 -8.681) 10.384 13.704 ( 7.924 -8.140 -0.267) 11.363 13.871 ( 8.202 0.819 2.287) 8.554 14.836 ( -4.561 -2.969 -2.150) 5.851 15.463 ( 0.453 -7.001 23.688) 24.705 17.520 ( -1.334 22.096 20.514) 30.180 18.501 ( 14.033 -0.517 -17.359) 22.328 19.450 ( -12.730 -3.565 -5.635) 14.371 20.545 ( 2.273 1.614 -8.210) 8.671 21.625 ( -6.116 11.175 -2.876) 13.060 23.171 ( -1.799 -8.752 -12.806) 15.615 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 7.925 30.839 19.546) 37.362 3.718 ( -2.418 31.670 20.101) 37.589 5.574 ( -2.462 -5.156 -5.443) 7.891 5.940 ( 4.145 -5.377 4.880) 8.361 6.530 ( -8.156 26.325 -2.708) 27.692 7.226 ( -13.603 3.051 -2.571) 14.176 7.923 ( 16.216 -7.974 2.669) 18.267 8.173 ( -3.202 -21.726 10.567) 24.371 8.447 ( -0.578 2.357 -4.763) 5.346 8.781 ( 0.572 -12.467 -1.046) 12.523 9.203 ( 7.769 -14.152 -14.349) 21.600 9.648 ( -12.976 -7.372 -5.985) 16.080 9.908 ( -10.621 1.041 3.629) 11.272 10.353 ( 7.503 13.612 -5.849) 16.607 10.882 ( 8.087 -2.346 0.611) 8.442 11.324 ( -2.468 -5.183 -3.621) 6.787 11.478 ( 9.430 3.467 9.455) 13.797 12.154 ( -2.784 1.998 -4.173) 5.400 12.698 ( 8.717 -9.366 2.171) 12.978 13.012 ( -5.560 -5.509 -8.897) 11.849 13.804 ( 8.977 -4.080 1.684) 10.003 13.950 ( 0.678 -2.922 -1.024) 3.170 14.848 ( 8.333 3.684 -0.552) 9.128 15.519 ( -4.154 -5.796 21.901) 23.033 17.763 ( -10.276 19.867 23.848) 32.696 18.595 ( 6.665 -0.304 -19.469) 20.581 19.229 ( 0.394 -4.075 -5.221) 6.635 20.525 ( -1.852 3.623 -10.027) 10.821 21.606 ( -6.138 9.590 -2.445) 11.645 22.969 ( -2.011 -9.108 -13.456) 16.373 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 9.084 16.841 15.772) 24.797 4.154 ( 3.206 32.210 18.448) 37.257 5.554 ( 8.385 -3.453 -3.127) 9.592 5.966 ( 3.331 -9.686 5.959) 11.850 6.661 ( -2.873 18.330 -5.258) 19.285 7.039 ( -15.535 20.068 -3.332) 25.596 7.887 ( -5.344 -24.239 9.721) 26.657 8.084 ( 4.010 -4.417 -0.983) 6.047 8.337 ( -12.270 -3.332 -3.422) 13.167 8.641 ( 1.721 -11.953 -6.829) 13.874 9.214 ( 15.223 -10.652 -7.112) 19.894 9.415 ( -1.439 -6.674 -2.339) 7.217 9.787 ( -4.989 3.142 0.743) 5.942 10.571 ( 5.947 7.680 -6.876) 11.900 10.859 ( -4.350 -2.993 -3.553) 6.364 11.267 ( 4.193 -7.665 4.934) 10.034 11.790 ( 12.213 5.840 7.950) 15.699 12.086 ( -0.007 -1.722 -5.464) 5.729 12.562 ( -13.165 -5.413 -1.465) 14.310 12.997 ( 10.657 -9.242 -2.967) 14.415 13.803 ( -4.666 -4.187 -0.208) 6.273 13.988 ( 7.767 -1.078 2.592) 8.259 15.095 ( 11.916 3.363 4.045) 13.025 15.483 ( -6.753 -1.629 12.550) 14.344 17.806 ( -23.755 16.312 22.593) 36.617 18.471 ( -1.237 -3.426 -14.422) 14.875 19.400 ( 21.232 1.806 -4.751) 21.831 20.426 ( -5.852 3.386 -11.742) 13.549 21.583 ( -5.055 8.523 -2.147) 10.140 22.785 ( -0.111 -10.047 -11.720) 15.438 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.015 ( 8.888 7.590 5.140) 12.768 4.608 ( 3.251 26.239 19.041) 32.582 5.689 ( 8.478 -2.572 2.620) 9.239 5.941 ( -1.027 -7.829 9.152) 12.087 6.604 ( -3.675 -4.056 -8.586) 10.182 7.082 ( -13.974 29.451 -9.263) 33.889 7.701 ( 0.370 -9.919 5.618) 11.405 7.989 ( -9.848 -11.373 4.489) 15.699 8.038 ( -1.618 -6.770 -12.277) 14.113 8.593 ( 2.886 0.880 -3.342) 4.502 9.315 ( 3.150 -2.190 -1.033) 3.973 9.448 ( 17.274 -11.517 -1.318) 20.803 9.876 ( 7.434 9.448 3.262) 12.457 10.440 ( -10.573 -8.509 -8.467) 15.996 10.864 ( 1.499 8.989 -3.537) 9.775 11.333 ( 10.277 -13.858 6.875) 18.572 11.913 ( -6.031 4.607 -5.497) 9.371 12.149 ( 10.529 -3.260 2.124) 11.225 12.312 ( -10.145 -0.430 0.272) 10.158 12.952 ( -2.121 -13.329 -3.159) 13.861 13.716 ( -2.335 -1.617 2.088) 3.525 14.122 ( 7.530 -2.429 3.034) 8.474 15.163 ( -7.675 -10.885 16.271) 21.027 15.553 ( 5.479 14.408 -5.858) 16.490 17.602 ( -25.731 8.744 16.424) 31.754 18.406 ( 0.803 0.517 -4.610) 4.708 19.787 ( 23.289 4.802 -7.095) 24.815 20.280 ( -6.500 2.258 -7.817) 10.414 21.590 ( -1.876 8.205 -1.571) 8.562 22.627 ( 0.569 -11.172 -9.013) 14.366 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.242 ( 11.408 3.631 -2.607) 12.252 4.954 ( -0.493 17.542 16.834) 24.317 5.717 ( -2.874 -9.906 6.030) 11.948 5.933 ( -2.297 2.404 9.289) 9.866 6.443 ( -5.716 -1.826 -8.688) 10.559 6.847 ( -23.076 2.396 -5.977) 23.958 7.660 ( 2.795 -4.384 -1.244) 5.346 7.931 ( 6.214 -10.859 1.291) 12.578 8.014 ( 11.078 8.331 -15.309) 20.652 8.709 ( 6.338 6.726 4.105) 10.112 9.296 ( -1.303 -3.003 0.431) 3.301 9.640 ( 14.775 -7.147 1.250) 16.461 10.132 ( -2.850 0.781 -7.219) 7.800 10.231 ( 9.809 8.611 4.762) 13.894 10.915 ( -1.454 4.592 -4.113) 6.334 11.390 ( 9.072 -17.807 6.831) 21.120 11.708 ( -14.604 0.342 -8.949) 17.131 12.175 ( -2.126 0.928 -1.332) 2.675 12.336 ( 5.598 -0.917 3.489) 6.659 12.690 ( -9.394 -12.534 -1.918) 15.781 13.679 ( -3.223 -1.233 1.138) 3.633 14.212 ( 5.137 -4.105 1.926) 6.852 14.969 ( -10.780 -10.448 10.279) 18.194 15.704 ( -2.171 14.047 -5.525) 15.250 17.434 ( -12.005 5.012 14.708) 19.636 18.416 ( -0.549 4.025 -0.388) 4.081 19.973 ( 4.478 -0.835 -24.724) 25.140 20.317 ( 6.969 6.063 13.087) 16.018 21.683 ( 4.858 8.974 -0.381) 10.212 22.475 ( -0.408 -11.736 -6.501) 13.422 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.394 ( 6.860 -1.950 -4.985) 8.701 5.128 ( -2.541 8.104 10.980) 13.882 5.527 ( -10.182 -8.208 3.467) 13.530 5.915 ( -15.168 4.864 4.159) 16.463 6.329 ( 1.093 -0.945 -5.786) 5.964 6.499 ( -11.855 0.027 -0.915) 11.890 7.724 ( 8.629 -7.745 1.080) 11.645 8.037 ( 10.924 1.630 5.117) 12.173 8.172 ( 9.762 7.793 -18.441) 22.273 8.910 ( 9.507 -5.362 4.645) 11.862 9.266 ( -0.951 3.867 3.470) 5.282 9.801 ( 11.540 -1.980 1.125) 11.762 10.111 ( 4.959 7.548 -6.130) 10.915 10.566 ( 9.337 7.363 3.175) 12.307 10.836 ( -7.773 -0.840 -1.834) 8.031 11.249 ( -20.092 -7.077 -1.747) 21.373 11.474 ( 3.782 -12.669 -1.270) 13.282 12.162 ( 0.573 0.907 -0.588) 1.223 12.294 ( -2.668 -12.812 -3.151) 13.461 12.594 ( 2.790 5.017 5.376) 7.865 13.587 ( -6.219 -0.369 -1.614) 6.435 14.228 ( 1.325 -5.384 0.434) 5.562 14.775 ( -7.070 -6.797 3.368) 10.370 15.662 ( -12.349 8.234 -1.428) 14.911 17.473 ( 0.535 4.844 8.447) 9.752 18.470 ( -0.050 6.847 4.062) 7.962 19.820 ( -1.005 -4.186 -20.076) 20.532 20.549 ( 3.223 4.189 11.475) 12.633 21.934 ( 13.504 10.821 1.628) 17.381 22.310 ( -1.987 -11.529 -5.067) 12.749 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.323 ( -8.831 -6.610 0.418) 11.039 5.181 ( 0.081 -0.801 0.905) 1.211 5.338 ( -3.649 -5.073 -3.404) 7.115 5.625 ( -25.398 10.270 2.101) 27.476 6.293 ( 0.955 -6.307 3.288) 7.176 6.541 ( 12.318 0.160 -3.986) 12.948 7.778 ( -0.483 1.577 4.311) 4.615 8.255 ( 6.767 4.633 -7.209) 10.919 8.326 ( 11.712 4.954 0.951) 12.752 8.974 ( 9.171 -11.375 5.599) 15.647 9.367 ( 4.518 3.590 -3.226) 6.611 10.111 ( 18.101 9.768 8.452) 22.237 10.281 ( 5.145 11.056 -9.153) 15.247 10.472 ( -21.395 -1.244 -3.011) 21.642 10.731 ( -10.869 -13.686 2.940) 17.722 10.791 ( -10.520 -1.357 1.005) 10.654 11.452 ( 5.777 -11.434 -0.848) 12.839 12.121 ( -0.232 -10.939 1.075) 10.994 12.260 ( 7.400 2.335 -0.425) 7.771 12.776 ( 6.048 9.679 1.643) 11.531 13.484 ( -4.418 1.543 -1.156) 4.820 14.159 ( -2.730 -6.125 -0.885) 6.764 14.665 ( -2.258 -1.104 -0.632) 2.592 15.477 ( -15.114 1.812 1.781) 15.326 17.563 ( 0.478 5.126 -2.157) 5.582 18.595 ( 2.341 7.144 6.934) 10.227 19.657 ( -0.302 -5.869 -12.221) 13.561 20.634 ( -2.161 0.429 8.969) 9.236 22.128 ( -5.071 -8.360 -3.759) 10.475 22.322 ( 18.911 9.561 1.750) 21.262 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.032 ( -21.255 -3.354 6.385) 22.445 5.016 ( -17.880 -2.547 -6.330) 19.138 5.283 ( 3.570 -3.683 -3.639) 6.289 5.494 ( 0.225 7.413 4.881) 8.879 6.314 ( 6.187 -4.581 0.496) 7.714 6.717 ( 16.401 -9.513 -5.958) 19.875 7.783 ( -7.512 8.575 4.807) 12.372 8.334 ( 2.415 4.740 -5.409) 7.587 8.598 ( 12.074 4.876 10.163) 16.518 9.097 ( 7.621 -3.133 0.826) 8.281 9.405 ( 3.585 -1.028 -9.163) 9.893 9.775 ( -42.653 -1.685 -1.417) 42.709 10.290 ( -6.844 -8.360 2.066) 11.000 10.518 ( 3.507 12.640 -2.710) 13.394 10.690 ( 0.480 -6.871 0.757) 6.929 10.814 ( 23.888 6.348 12.731) 27.803 11.416 ( 3.533 -9.793 -0.948) 10.453 12.045 ( 3.984 -13.851 1.635) 14.505 12.435 ( 5.398 8.854 0.353) 10.375 12.956 ( 7.372 6.324 -4.838) 10.851 13.499 ( 1.941 4.454 3.470) 5.970 14.023 ( -5.279 -5.911 -1.104) 8.001 14.680 ( 1.771 6.209 -1.079) 6.546 15.240 ( -14.112 -2.883 2.524) 14.623 17.536 ( -5.733 4.656 -8.223) 11.053 18.705 ( 2.538 1.134 -2.266) 3.587 19.586 ( 1.909 -4.105 2.391) 5.120 20.624 ( -2.437 -2.575 5.908) 6.890 21.940 ( -6.300 -5.326 -4.781) 9.535 22.725 ( 17.660 7.911 1.669) 19.423 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.683 ( -26.329 4.659 8.754) 28.135 4.553 ( -31.171 -1.020 -1.889) 31.245 5.361 ( 12.181 -4.848 -2.326) 13.315 5.725 ( 15.571 3.116 5.049) 16.663 6.411 ( 10.614 -0.798 -5.474) 11.969 6.803 ( 14.776 -18.239 -7.017) 24.500 7.796 ( -5.015 11.348 5.805) 13.697 8.341 ( -5.746 4.658 -3.249) 8.079 8.755 ( -39.583 2.424 -2.438) 39.732 8.947 ( 7.826 9.642 10.132) 16.027 9.341 ( 0.551 -1.832 -16.267) 16.379 9.463 ( 3.980 -4.595 10.955) 12.529 10.166 ( -0.116 -5.754 4.585) 7.358 10.458 ( -7.625 -6.490 3.060) 10.470 10.819 ( 9.565 8.652 -8.166) 15.265 11.189 ( 14.168 -14.697 -3.685) 20.744 11.522 ( 4.264 12.075 18.877) 22.811 12.020 ( 10.637 -12.639 -1.580) 16.595 12.577 ( 0.741 9.894 0.153) 9.922 13.093 ( 9.234 -0.379 -4.918) 10.469 13.590 ( 1.244 0.439 -1.754) 2.195 13.935 ( 0.483 -0.685 6.333) 6.388 14.777 ( -1.186 3.673 -2.220) 4.452 15.054 ( -5.520 4.883 5.517) 9.206 17.367 ( -12.070 1.921 -8.689) 14.996 18.662 ( 3.417 -7.989 -13.945) 16.430 19.650 ( 0.509 0.365 13.377) 13.392 20.597 ( 0.615 -4.365 1.913) 4.805 21.775 ( -6.968 0.586 -5.107) 8.659 23.054 ( 14.503 3.855 -0.043) 15.007 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( -26.932 13.475 9.155) 31.476 3.980 ( -37.030 -0.379 2.903) 37.146 5.530 ( 14.695 -5.147 -1.732) 15.666 6.047 ( 16.101 -2.733 5.385) 17.197 6.598 ( 14.848 5.931 -7.720) 17.755 6.789 ( 11.541 -19.966 -8.114) 24.447 7.850 ( -27.553 12.413 6.615) 30.935 7.998 ( -17.147 14.474 1.561) 22.493 8.399 ( -3.179 -3.679 1.769) 5.174 9.187 ( 7.103 -6.279 -1.834) 9.656 9.274 ( 0.248 8.373 -6.226) 10.437 9.559 ( 3.879 0.919 4.872) 6.296 10.225 ( 6.354 -1.562 -1.051) 6.627 10.279 ( -8.537 -7.272 10.669) 15.478 10.892 ( 2.171 -6.359 -7.311) 9.930 11.264 ( 12.516 0.632 -10.220) 16.170 11.648 ( -3.588 -7.070 15.815) 17.691 12.208 ( 11.871 4.606 -0.537) 12.745 12.667 ( 0.901 7.759 -0.631) 7.837 13.132 ( 0.712 -8.468 -0.786) 8.535 13.564 ( 5.316 -2.876 -7.485) 9.621 14.073 ( 4.269 -0.155 10.320) 11.169 14.628 ( -5.001 -6.738 0.377) 8.400 15.285 ( 6.143 19.267 8.909) 22.098 17.098 ( -14.337 -0.596 -5.163) 15.250 18.545 ( 6.200 -11.623 -17.834) 22.172 19.725 ( -3.620 2.992 13.300) 14.104 20.585 ( 3.374 -4.884 -2.798) 6.563 21.670 ( -6.501 6.978 -4.489) 10.540 23.269 ( 10.696 -0.879 -2.496) 11.019 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( -24.365 14.514 3.628) 28.592 3.970 ( -22.049 21.583 17.678) 35.560 5.463 ( 14.996 -13.925 -5.155) 21.104 5.984 ( 3.343 -7.631 -1.454) 8.457 6.506 ( 16.628 -1.294 -8.985) 18.944 6.845 ( 11.839 -8.571 -2.453) 14.820 8.031 ( -20.897 13.201 12.804) 27.837 8.304 ( -8.913 12.340 9.474) 17.930 8.430 ( -1.548 3.966 -3.247) 5.354 9.055 ( 0.552 -8.283 -0.177) 8.303 9.194 ( 2.393 9.579 -5.768) 11.435 9.688 ( -7.686 -6.728 -12.827) 16.398 10.090 ( 5.068 7.697 6.191) 11.102 10.446 ( 2.541 -6.158 11.126) 12.968 10.574 ( 2.726 -3.119 -4.287) 5.961 11.190 ( 6.282 -8.530 -6.430) 12.392 11.697 ( 7.019 -0.257 -1.153) 7.118 12.043 ( -12.889 -6.475 -15.684) 21.308 12.781 ( -5.490 -1.516 3.765) 6.827 13.002 ( 6.613 -4.636 3.925) 8.980 13.488 ( 7.126 -2.884 -1.806) 7.897 13.902 ( -8.037 -2.887 -0.052) 8.540 14.871 ( 6.886 0.961 9.282) 11.597 15.494 ( -5.310 -11.254 6.063) 13.842 17.427 ( 5.625 22.022 17.458) 28.660 18.109 ( 8.889 -4.490 -15.349) 18.296 19.824 ( -8.740 -0.444 -2.078) 8.994 20.448 ( 2.736 0.249 -3.969) 4.827 21.785 ( -3.242 8.488 -3.260) 9.653 23.154 ( 2.078 -8.584 -6.087) 10.727 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( -14.670 23.764 11.728) 30.290 4.006 ( -14.423 26.341 16.536) 34.283 5.500 ( 10.007 -14.765 -5.876) 18.780 5.914 ( -2.824 -5.255 0.789) 6.018 6.684 ( 4.228 10.882 -9.524) 15.067 7.000 ( 25.318 -18.352 -0.508) 31.274 7.907 ( -15.634 5.900 13.491) 21.477 8.330 ( -15.219 19.265 6.066) 25.289 8.414 ( 4.822 -2.840 -4.310) 7.064 8.883 ( -7.298 -7.682 -0.083) 10.596 9.169 ( -3.201 -17.510 -10.435) 20.633 9.660 ( 8.058 17.619 -8.589) 21.193 10.204 ( -2.914 3.792 1.510) 5.015 10.425 ( -5.441 -8.220 9.626) 13.779 10.626 ( 5.898 4.722 -1.120) 7.638 11.225 ( 9.471 -8.789 -1.396) 12.996 11.442 ( -11.191 -11.080 -12.627) 20.186 12.030 ( 10.140 6.398 -4.432) 12.783 12.632 ( -7.837 -9.695 3.795) 13.032 13.098 ( 6.236 -4.322 -3.085) 8.190 13.536 ( 4.427 -4.516 0.680) 6.360 13.845 ( 0.339 2.749 3.002) 4.084 14.861 ( -4.676 -5.292 -2.397) 7.457 15.501 ( 4.438 -5.583 20.831) 22.018 17.850 ( 3.642 22.257 22.089) 31.568 18.154 ( 12.372 -2.036 -17.142) 21.238 19.585 ( -12.943 -4.254 -9.030) 16.345 20.497 ( 2.472 4.263 -2.853) 5.694 21.785 ( -4.165 8.127 -3.348) 9.727 23.022 ( -0.575 -11.418 -9.300) 14.738 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.526 ( -1.284 24.272 16.856) 29.578 4.189 ( -6.541 30.440 12.834) 33.676 5.447 ( 2.718 -8.852 -5.766) 10.908 5.853 ( 0.239 -5.919 5.878) 8.345 6.736 ( 0.078 4.508 -7.492) 8.744 7.286 ( 21.247 -5.354 -3.410) 22.175 7.785 ( -8.401 -5.459 13.757) 17.018 8.249 ( -12.215 8.585 2.395) 15.121 8.447 ( -0.186 3.668 -6.911) 7.826 8.707 ( -5.737 -8.196 1.883) 10.180 8.877 ( 0.128 -14.259 -14.765) 20.527 9.754 ( -8.372 -3.405 -3.964) 9.869 10.141 ( -11.093 1.756 5.839) 12.658 10.336 ( 2.650 6.361 -2.697) 7.400 10.752 ( 5.146 -1.974 0.031) 5.511 11.222 ( 4.291 -2.734 -2.634) 5.729 11.387 ( 9.793 -0.485 -0.003) 9.805 12.192 ( 0.981 1.943 -1.738) 2.785 12.480 ( 4.956 -9.744 2.155) 11.142 13.005 ( -5.677 -7.176 -8.365) 12.397 13.634 ( 9.091 -2.490 4.254) 10.341 13.923 ( 1.771 2.276 1.631) 3.313 14.778 ( 2.244 0.636 -2.278) 3.260 15.640 ( 0.209 -5.090 22.958) 23.517 18.192 ( -1.224 17.206 15.881) 23.447 18.285 ( 15.325 2.077 -10.743) 18.831 19.245 ( -13.164 -6.272 -10.565) 18.007 20.544 ( -0.817 5.561 -4.370) 7.119 21.759 ( -5.063 6.374 -2.615) 8.550 22.825 ( -1.616 -11.823 -11.349) 16.468 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.815 ( 2.454 10.605 12.874) 16.859 4.525 ( 0.727 33.586 10.465) 35.186 5.427 ( 3.687 0.973 -0.095) 3.814 5.869 ( 3.029 -6.250 7.799) 10.443 6.687 ( -0.939 -4.430 -6.449) 7.880 7.459 ( -1.274 16.948 -11.501) 20.521 7.715 ( 3.252 -21.716 14.537) 26.334 8.095 ( -10.797 -4.049 -3.190) 11.964 8.437 ( 2.190 6.205 -4.350) 7.888 8.547 ( -6.595 -6.602 -0.559) 9.348 8.775 ( 7.777 -8.217 -7.685) 13.677 9.493 ( -10.179 -4.050 -1.635) 11.077 9.949 ( -10.962 -2.029 4.432) 11.997 10.515 ( 4.340 8.540 -4.617) 10.634 10.766 ( 4.168 -6.789 -1.957) 8.204 11.241 ( -0.400 1.280 -3.402) 3.657 11.641 ( 15.347 1.481 7.974) 17.358 12.089 ( -4.900 -4.825 0.376) 6.887 12.628 ( 8.008 -3.193 3.582) 9.335 12.760 ( -3.838 -6.725 -10.955) 13.415 13.764 ( 5.300 -3.838 2.899) 7.157 13.948 ( -0.407 2.846 1.137) 3.092 14.939 ( 12.663 6.794 -1.524) 14.451 15.658 ( -6.775 -6.205 19.422) 21.485 18.319 ( 6.497 0.476 -13.682) 15.154 18.474 ( -15.186 17.529 21.273) 31.471 19.040 ( 9.922 -6.199 -9.725) 15.214 20.500 ( -5.816 3.614 -6.913) 9.731 21.716 ( -4.652 4.855 -1.965) 7.005 22.632 ( -0.708 -10.143 -10.517) 14.628 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( 4.057 1.007 2.724) 4.989 4.909 ( 1.851 25.829 11.469) 28.322 5.586 ( 7.461 4.943 5.591) 10.553 5.910 ( 2.477 -4.822 7.825) 9.520 6.559 ( -2.724 -6.425 -6.350) 9.435 7.483 ( -7.805 14.199 -14.809) 21.951 7.607 ( 0.721 -12.470 3.219) 12.899 7.852 ( -4.229 -11.176 -0.404) 11.956 8.249 ( -18.285 -1.566 -2.388) 18.507 8.613 ( 0.870 11.254 2.378) 11.535 8.901 ( 23.191 -12.009 -1.803) 26.178 9.354 ( -3.655 -1.170 -1.821) 4.248 9.907 ( 1.743 5.114 6.877) 8.745 10.437 ( -6.749 -7.421 -10.130) 14.256 10.812 ( 5.589 -1.222 -1.045) 5.816 11.232 ( -0.152 0.305 1.445) 1.484 11.929 ( 13.243 -2.919 4.275) 14.219 12.000 ( -3.594 0.520 -0.602) 3.681 12.468 ( -10.074 -2.329 -2.020) 10.535 12.803 ( 6.475 -6.515 -2.281) 9.464 13.755 ( -2.142 -1.457 0.769) 2.702 14.023 ( 4.585 0.725 2.480) 5.263 15.200 ( 7.580 2.753 2.824) 8.544 15.579 ( -4.207 -0.779 6.841) 8.068 18.166 ( -16.360 0.679 -4.074) 16.873 18.474 ( -10.814 10.527 16.499) 22.360 19.316 ( 27.377 -1.029 -10.379) 29.296 20.368 ( -6.607 1.312 -5.592) 8.755 21.686 ( -2.888 4.666 -1.628) 5.724 22.487 ( -0.141 -7.951 -7.103) 10.663 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.054 ( 8.681 -0.882 -3.572) 9.429 5.183 ( 0.740 12.214 10.087) 15.858 5.704 ( -0.311 -3.403 4.801) 5.893 5.967 ( 3.673 -2.405 5.165) 6.778 6.427 ( -3.305 -2.510 -5.310) 6.739 7.259 ( -19.164 3.227 -1.959) 19.532 7.537 ( 1.076 -8.716 -6.158) 10.726 7.825 ( 5.796 3.077 -2.906) 7.177 7.990 ( -11.145 7.794 -1.566) 13.690 8.710 ( 1.805 3.229 1.833) 4.129 9.166 ( 16.503 -10.902 1.175) 19.813 9.359 ( 8.111 1.084 0.474) 8.197 10.148 ( 3.543 6.290 2.274) 7.569 10.175 ( 0.768 -1.837 -4.552) 4.968 10.855 ( 3.815 -4.833 -1.571) 6.354 11.251 ( 1.057 -2.403 4.037) 4.816 11.849 ( -9.137 -2.397 -7.846) 12.280 12.090 ( 5.097 -2.179 -1.922) 5.867 12.377 ( -2.037 2.756 5.772) 6.713 12.719 ( -5.779 -7.568 -0.913) 9.566 13.719 ( -2.260 0.532 -0.134) 2.325 14.106 ( 4.750 -2.450 1.123) 5.461 15.133 ( -12.127 -9.357 10.235) 18.422 15.701 ( 9.143 11.669 -11.042) 18.485 17.884 ( -21.218 2.987 12.896) 25.008 18.502 ( -4.463 6.451 8.158) 11.318 19.605 ( 18.671 -4.817 -22.387) 29.546 20.337 ( 3.073 2.555 6.873) 7.950 21.703 ( 0.811 5.309 -1.359) 5.540 22.382 ( -1.352 -5.656 -2.829) 6.466 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.175 ( 10.544 -2.397 -6.588) 12.662 5.253 ( -2.685 -5.331 6.251) 8.643 5.589 ( -6.505 -9.108 -0.676) 11.213 6.011 ( 3.892 -1.821 -3.469) 5.523 6.345 ( -5.385 3.056 0.127) 6.193 6.904 ( -27.915 6.944 1.298) 28.795 7.562 ( 8.779 -0.414 7.070) 11.279 7.984 ( 9.355 9.035 -6.787) 14.670 8.009 ( 1.732 10.040 -2.473) 10.484 8.754 ( 4.716 -8.042 1.752) 9.486 9.258 ( 5.970 -5.600 3.355) 8.846 9.580 ( 14.006 -1.166 1.909) 14.184 10.057 ( 3.399 4.499 -7.008) 8.994 10.486 ( 9.516 7.775 3.217) 12.702 10.828 ( 1.811 -8.945 -1.135) 9.197 11.257 ( 0.795 -4.992 4.807) 6.976 11.558 ( -16.215 -2.734 -10.102) 19.299 12.089 ( 2.233 -0.930 -5.626) 6.124 12.366 ( -10.347 -3.478 6.141) 12.524 12.623 ( 2.330 2.830 4.328) 5.671 13.665 ( -4.620 0.919 -2.522) 5.343 14.138 ( 3.059 -4.739 -0.961) 5.722 14.885 ( -11.524 -8.247 5.612) 15.242 15.822 ( 0.060 10.754 -14.009) 17.660 17.713 ( -14.400 3.336 18.548) 23.717 18.561 ( -0.939 6.609 6.245) 9.141 19.581 ( 7.270 -9.016 -24.539) 27.135 20.543 ( 8.458 0.784 11.413) 14.227 21.812 ( 7.780 4.460 -1.717) 9.131 22.304 ( -3.397 -0.834 1.781) 3.925 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.236 ( 6.334 -7.041 -6.967) 11.757 5.121 ( -0.519 -15.634 0.575) 15.653 5.351 ( -8.695 -8.946 -4.587) 13.292 6.029 ( -1.440 2.966 -5.915) 6.772 6.292 ( -6.937 6.942 2.370) 10.096 6.572 ( -18.906 5.065 3.242) 19.840 7.825 ( 8.388 7.241 13.384) 17.376 8.124 ( 5.258 4.914 -6.156) 9.470 8.227 ( 10.683 12.950 -3.061) 17.065 8.764 ( 7.027 -10.739 5.565) 13.988 9.308 ( 4.098 -5.414 1.513) 6.957 9.883 ( 21.412 2.331 6.317) 22.446 10.216 ( 8.556 10.593 -6.909) 15.269 10.551 ( -4.406 -5.986 -1.317) 7.549 10.731 ( -1.893 -8.569 -0.447) 8.787 11.145 ( -23.793 -1.127 -6.634) 24.726 11.257 ( 3.637 -7.959 0.343) 8.758 12.152 ( -10.636 -6.921 5.445) 13.809 12.169 ( 7.437 7.568 -1.582) 10.728 12.790 ( 5.014 7.640 4.337) 10.115 13.565 ( -5.401 1.480 -3.992) 6.877 14.102 ( 0.339 -6.256 -2.778) 6.853 14.712 ( -5.033 -2.864 2.586) 6.342 15.733 ( -10.989 6.804 -11.031) 16.992 17.672 ( -7.071 3.684 11.701) 14.159 18.653 ( 0.714 4.774 2.653) 5.509 19.472 ( 5.736 -8.614 -13.447) 16.969 20.675 ( 1.977 -4.201 8.051) 9.294 21.957 ( 7.902 -4.613 -3.340) 9.740 22.338 ( 1.303 11.431 6.312) 13.123 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.167 ( 0.240 -10.791 -2.648) 11.114 5.005 ( 0.203 -9.639 -1.975) 9.841 5.124 ( -0.599 -11.083 -7.908) 13.628 5.873 ( -20.313 12.881 -2.561) 24.189 6.341 ( 2.828 4.330 3.312) 6.141 6.415 ( -3.485 -3.963 0.329) 5.288 8.013 ( -5.106 9.224 8.213) 13.364 8.218 ( 9.615 -0.316 -6.692) 11.719 8.548 ( 11.031 14.351 8.442) 19.972 8.896 ( 12.216 -3.912 4.882) 13.725 9.308 ( 2.801 -6.163 -0.754) 6.812 10.198 ( -5.764 -9.656 -9.051) 14.435 10.342 ( -4.870 -7.436 3.050) 9.397 10.409 ( 17.369 3.783 0.593) 17.786 10.641 ( -3.575 0.482 3.804) 5.243 10.744 ( -14.156 3.330 -5.046) 15.393 11.280 ( 6.922 -2.547 3.027) 7.973 11.970 ( -6.209 -9.920 5.855) 13.086 12.416 ( 8.769 12.939 0.150) 15.631 12.922 ( 1.675 5.869 -2.167) 6.477 13.518 ( 0.358 2.240 -1.385) 2.658 14.006 ( -1.914 -6.424 -2.761) 7.249 14.708 ( 1.550 4.741 1.999) 5.373 15.496 ( -15.700 3.082 -7.098) 17.504 17.649 ( -6.546 4.228 2.737) 8.260 18.634 ( -0.854 -5.808 -10.180) 11.751 19.505 ( 7.511 -1.801 5.489) 9.476 20.648 ( -1.896 -7.243 4.055) 8.515 21.933 ( -1.023 -5.145 -1.477) 5.450 22.608 ( 10.048 12.757 4.714) 16.910 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.038 ( -6.623 -5.225 2.931) 8.930 4.838 ( -12.548 -2.644 -0.690) 12.842 5.070 ( 12.585 -13.582 -8.718) 20.466 5.710 ( -9.332 11.332 -1.033) 14.716 6.340 ( 1.205 -5.678 -2.192) 6.205 6.467 ( 5.513 1.492 2.619) 6.283 8.021 ( -6.328 7.469 7.546) 12.360 8.315 ( 5.356 0.074 -4.287) 6.861 8.909 ( 8.926 6.773 9.034) 14.392 9.038 ( 3.229 1.896 -3.959) 5.450 9.331 ( 6.300 -0.229 1.979) 6.607 9.723 ( -31.491 -1.647 -3.496) 31.727 10.144 ( -3.939 -10.293 4.096) 11.757 10.511 ( -3.272 -8.229 2.660) 9.247 10.648 ( 9.599 -11.089 -3.798) 15.150 10.834 ( 10.068 11.508 -9.869) 18.199 11.601 ( 16.862 13.677 15.897) 26.909 11.811 ( -3.797 -13.918 5.185) 15.330 12.645 ( 3.643 12.142 -0.741) 12.699 12.966 ( 3.371 2.994 -5.831) 7.370 13.545 ( 1.107 -2.660 -2.719) 3.962 13.939 ( 1.145 -1.790 2.732) 3.461 14.825 ( 0.676 6.112 -0.324) 6.157 15.260 ( -10.094 6.362 -1.263) 11.998 17.543 ( -11.287 2.889 -2.337) 11.883 18.431 ( 0.195 -14.944 -16.303) 22.116 19.696 ( 5.825 3.002 13.403) 14.919 20.557 ( -1.478 -7.432 0.404) 7.588 21.853 ( -4.015 -0.557 -0.664) 4.107 22.901 ( 10.371 7.510 1.984) 12.958 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.883 ( -14.345 4.762 3.930) 15.618 4.521 ( -26.068 1.540 5.278) 26.641 5.162 ( 18.408 -11.037 -7.595) 22.767 5.777 ( 8.884 0.477 0.488) 8.910 6.311 ( 8.988 -10.860 -8.947) 16.696 6.595 ( 3.173 6.816 3.836) 8.440 8.079 ( -2.051 8.605 9.454) 12.948 8.343 ( 0.807 -0.698 -1.609) 1.930 8.798 ( -21.440 0.610 -5.983) 22.267 9.071 ( -7.758 4.661 -0.303) 9.056 9.334 ( -8.185 3.695 -0.682) 9.007 9.558 ( 8.166 7.712 9.453) 14.681 10.083 ( 4.157 -8.823 -2.038) 9.964 10.402 ( -5.305 -6.409 11.295) 14.028 10.624 ( 9.671 -16.153 -8.364) 20.601 11.058 ( 10.410 13.161 -12.464) 20.903 11.638 ( -3.073 -15.814 5.683) 17.083 12.090 ( 13.570 10.937 11.473) 20.866 12.758 ( -0.801 9.398 -1.095) 9.496 13.032 ( 4.482 -0.773 -2.403) 5.144 13.448 ( -1.288 -6.919 -5.844) 9.148 14.057 ( 6.096 2.054 7.902) 10.189 14.694 ( -9.990 -4.318 -3.943) 11.576 15.406 ( 5.958 16.877 6.568) 19.065 17.308 ( -14.700 -0.678 -2.481) 14.923 18.228 ( 4.553 -13.815 -15.866) 21.525 19.862 ( 0.469 3.442 11.765) 12.267 20.482 ( 0.969 -5.559 -2.755) 6.280 21.796 ( -4.034 3.893 -1.087) 5.711 23.101 ( 7.979 1.521 -0.623) 8.147 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.877 ( -11.460 10.018 0.958) 15.251 4.619 ( -22.012 17.430 14.105) 31.421 5.001 ( 20.048 -11.684 -8.286) 24.640 5.854 ( 8.712 -6.563 4.424) 11.770 6.174 ( 7.188 2.600 -3.365) 8.352 6.684 ( 1.203 -6.675 -4.532) 8.157 8.237 ( -1.396 -3.702 -3.222) 5.102 8.272 ( -1.126 -3.983 2.862) 5.032 8.802 ( 2.617 12.407 1.824) 12.810 9.113 ( -9.726 2.851 -2.255) 10.383 9.365 ( -12.802 11.679 2.510) 17.510 9.667 ( -0.523 -8.374 -3.716) 9.176 10.020 ( 11.973 1.506 2.912) 12.413 10.385 ( 2.633 2.706 5.743) 6.873 10.477 ( 2.687 2.004 -5.482) 6.425 11.031 ( -2.488 -13.121 2.709) 13.627 11.610 ( 6.107 9.107 -2.718) 11.297 12.071 ( -12.139 -9.066 -17.411) 23.080 12.823 ( -1.729 -7.282 3.173) 8.129 12.964 ( -2.442 -3.483 4.250) 6.012 13.406 ( 4.179 4.475 2.993) 6.815 13.998 ( -7.785 -2.460 -3.824) 9.016 14.798 ( 10.062 2.391 7.897) 13.012 15.481 ( -5.435 -13.550 -0.948) 14.630 17.505 ( 13.997 7.898 6.658) 17.397 17.992 ( -0.836 8.212 3.023) 8.791 19.902 ( -5.547 -2.796 -7.398) 9.660 20.425 ( 1.274 4.087 0.570) 4.319 21.846 ( 0.488 2.450 -1.920) 3.150 23.054 ( -2.305 -5.906 -2.425) 6.787 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.815 ( -12.938 17.941 6.622) 23.089 4.577 ( -16.031 21.904 12.607) 29.929 5.135 ( 14.648 -10.709 -4.450) 18.683 5.946 ( 1.669 -2.327 6.491) 7.094 6.377 ( 20.708 -3.425 -4.011) 21.369 6.616 ( 4.860 -8.778 -7.539) 12.550 8.138 ( -8.816 -3.452 8.482) 12.712 8.245 ( 4.816 -5.697 -5.962) 9.549 8.909 ( -9.128 12.682 -8.770) 17.919 8.916 ( -8.567 -6.882 1.013) 11.036 9.131 ( -14.191 1.745 -5.938) 15.482 9.750 ( 0.267 18.864 7.108) 20.160 10.234 ( 5.575 3.483 1.417) 6.725 10.449 ( 0.353 -5.268 6.854) 8.652 10.569 ( 5.864 6.130 -0.974) 8.539 10.937 ( 7.925 -12.924 -1.025) 15.194 11.494 ( -16.318 -10.645 -11.853) 22.805 11.890 ( 8.730 7.065 -9.429) 14.664 12.672 ( -6.900 -12.802 1.908) 14.668 12.972 ( 3.514 -3.751 3.583) 6.266 13.495 ( 0.440 1.277 2.838) 3.143 13.900 ( -1.857 2.354 0.398) 3.024 14.858 ( -3.145 -6.443 -1.596) 7.345 15.441 ( 8.986 -5.566 12.740) 16.554 17.786 ( 13.711 -2.849 -5.025) 14.878 18.178 ( 1.043 19.280 15.448) 24.728 19.674 ( -10.235 -4.287 -11.820) 16.212 20.511 ( 1.876 7.453 -0.015) 7.685 21.867 ( -0.541 4.356 -2.674) 5.140 22.896 ( -3.752 -11.103 -5.330) 12.875 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.891 ( -6.871 18.169 12.152) 22.913 4.653 ( -9.215 25.980 7.573) 28.588 5.253 ( 10.519 -4.207 -0.560) 11.343 5.931 ( -6.372 0.059 8.484) 10.611 6.579 ( 9.118 -13.195 -5.858) 17.076 6.732 ( 27.645 -4.363 -5.766) 28.575 7.977 ( -12.763 -4.789 9.790) 16.783 8.239 ( 5.795 -5.736 -8.220) 11.579 8.575 ( -13.614 -17.130 -7.066) 22.994 8.721 ( -7.850 1.923 -9.378) 12.380 9.061 ( -12.920 21.353 0.402) 24.961 9.883 ( -10.911 5.099 3.347) 12.501 10.324 ( -3.598 0.481 7.000) 7.885 10.345 ( -0.192 1.642 -1.459) 2.205 10.682 ( 1.686 0.152 -1.725) 2.417 11.070 ( 15.321 -5.985 6.238) 17.592 11.225 ( 1.030 1.323 -8.214) 8.383 12.089 ( 11.339 6.499 -5.596) 14.217 12.409 ( -7.880 -15.375 0.870) 17.299 12.963 ( -1.357 -5.784 -3.315) 6.803 13.535 ( 3.947 -1.268 5.222) 6.668 13.953 ( 0.877 5.213 2.617) 5.899 14.741 ( -0.471 -2.463 -2.979) 3.894 15.659 ( 8.133 -4.476 18.473) 20.675 17.899 ( 12.933 -3.247 -14.814) 19.931 18.485 ( 2.357 13.626 18.944) 23.454 19.375 ( -13.414 -2.098 -9.373) 16.498 20.602 ( -0.118 8.303 -2.465) 8.662 21.866 ( -3.414 4.467 -1.806) 5.905 22.676 ( -2.911 -13.555 -8.102) 16.058 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.998 ( -5.447 7.684 10.707) 14.260 4.877 ( -0.760 30.150 3.645) 30.379 5.402 ( 6.290 4.709 3.507) 8.605 5.888 ( -4.078 -0.839 9.909) 10.748 6.547 ( 4.839 -10.314 -6.006) 12.879 7.112 ( 27.951 -8.680 -5.157) 29.719 7.748 ( -11.118 -6.878 0.018) 13.074 8.163 ( -11.781 -16.176 -3.023) 20.238 8.233 ( 7.228 -8.239 -5.397) 12.217 8.614 ( -5.235 5.759 -4.758) 9.122 9.033 ( -15.034 20.083 0.687) 25.096 9.627 ( -13.465 -3.938 -1.688) 14.130 10.116 ( -10.491 -8.411 6.120) 14.774 10.576 ( 3.344 15.508 0.500) 15.872 10.638 ( -0.914 -6.273 -2.202) 6.710 11.221 ( 2.862 4.284 -3.434) 6.192 11.428 ( 16.957 0.014 7.166) 18.409 12.124 ( -5.615 -8.096 2.458) 10.155 12.374 ( 15.184 0.987 -4.513) 15.871 12.787 ( -7.715 -6.396 -6.129) 11.747 13.653 ( 6.700 -2.244 4.923) 8.612 14.016 ( -1.298 5.276 1.977) 5.782 14.805 ( 8.776 5.093 -2.921) 10.559 15.786 ( -0.736 -7.136 19.730) 20.994 18.000 ( 15.040 -1.961 -20.318) 25.355 18.706 ( 5.966 0.799 6.822) 9.098 19.134 ( -16.470 7.682 8.112) 19.901 20.600 ( -5.543 5.298 -6.192) 9.856 21.816 ( -5.225 1.915 -0.445) 5.583 22.482 ( 0.090 -10.487 -8.428) 13.454 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.987 ( -4.848 0.757 4.666) 6.771 5.158 ( 0.534 20.307 2.317) 20.445 5.590 ( 5.310 8.480 4.344) 10.908 5.904 ( -0.629 -0.465 7.736) 7.776 6.477 ( 1.266 -7.173 -4.351) 8.485 7.371 ( 14.698 -7.636 -3.100) 16.851 7.523 ( -4.090 -4.737 -8.867) 10.853 7.878 ( -7.873 -9.662 4.104) 13.122 8.263 ( 12.247 -14.331 -5.639) 19.677 8.605 ( -2.189 9.747 2.709) 10.351 8.949 ( -16.192 15.073 0.175) 22.122 9.420 ( -7.755 -2.664 -1.454) 8.328 9.987 ( -2.350 0.128 7.788) 8.136 10.442 ( -9.221 -7.651 -7.705) 14.245 10.740 ( 3.027 4.981 0.265) 5.834 11.253 ( 0.008 2.526 -2.713) 3.707 11.728 ( 13.035 -0.560 7.279) 14.940 12.042 ( -1.353 -1.944 4.143) 4.773 12.533 ( -1.332 -3.858 -9.606) 10.438 12.635 ( 5.713 0.955 1.162) 5.908 13.733 ( 3.086 -2.478 2.146) 4.502 14.042 ( -1.949 4.130 1.246) 4.734 15.051 ( 13.934 8.581 -4.913) 17.085 15.732 ( -8.922 -8.739 15.981) 20.282 18.089 ( 10.170 -1.486 -15.929) 18.957 18.769 ( 9.008 -7.285 -11.835) 16.562 19.118 ( -12.590 13.920 26.833) 32.746 20.457 ( -8.203 0.555 -7.929) 11.422 21.748 ( -3.076 -0.181 -0.072) 3.083 22.384 ( 1.242 -4.531 -4.967) 6.837 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( 0.000 0.000 0.000) 0.000 5.266 ( -0.000 0.000 0.000) 0.000 5.713 ( -0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 6.433 ( -0.000 0.000 0.000) 0.000 7.402 ( -0.000 0.000 0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 7.776 ( 0.000 -0.000 0.000) 0.000 8.272 ( -0.000 0.000 0.000) 0.000 8.772 ( -0.000 0.000 -0.000) 0.000 8.774 ( 0.000 -0.000 0.000) 0.000 9.323 ( 0.000 0.000 0.000) 0.000 10.134 ( 0.000 0.000 0.000) 0.000 10.162 ( -0.000 -0.000 -0.000) 0.000 10.789 ( 0.000 0.000 0.000) 0.000 11.255 ( 0.000 0.000 0.000) 0.000 11.878 ( 0.000 0.000 0.000) 0.000 12.036 ( 0.000 0.000 0.000) 0.000 12.434 ( 0.000 0.000 0.000) 0.000 12.724 ( 0.000 0.000 0.000) 0.000 13.749 ( -0.000 0.000 0.000) 0.000 14.049 ( 0.000 0.000 0.000) 0.000 15.247 ( 0.000 0.000 0.000) 0.000 15.613 ( -0.000 0.000 0.000) 0.000 18.114 ( 0.000 0.000 0.000) 0.000 18.773 ( -0.000 0.000 0.000) 0.000 19.185 ( -0.000 0.000 0.000) 0.000 20.344 ( 0.000 0.000 0.000) 0.000 21.721 ( -0.000 0.000 0.000) 0.000 22.360 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -0.000 0.000 45.392) 45.392 0.821 ( -0.000 0.000 45.392) 45.392 1.485 ( -0.000 0.000 81.586) 81.586 6.701 ( 0.000 -0.000 -2.368) 2.368 7.654 ( 0.000 -0.000 -20.166) 20.166 7.654 ( 0.000 -0.000 -20.166) 20.166 8.448 ( -0.000 0.000 11.517) 11.517 8.448 ( -0.000 0.000 11.517) 11.517 8.840 ( 0.000 -0.000 -9.611) 9.611 9.280 ( 0.000 0.000 -10.818) 10.818 9.280 ( 0.000 0.000 -10.818) 10.818 9.726 ( -0.000 0.000 11.618) 11.618 9.726 ( -0.000 0.000 11.618) 11.618 10.509 ( -0.000 0.000 8.687) 8.687 10.509 ( -0.000 0.000 8.687) 8.687 11.021 ( 0.000 -0.000 -0.450) 0.450 11.364 ( 0.000 -0.000 -6.200) 6.200 12.843 ( 0.000 -0.000 -5.889) 5.889 12.942 ( 0.000 0.000 -7.040) 7.040 12.942 ( 0.000 0.000 -7.040) 7.040 14.282 ( -0.000 -0.000 1.653) 1.653 14.282 ( 0.000 0.000 1.653) 1.653 14.549 ( -0.000 0.000 7.867) 7.867 16.449 ( -0.000 0.000 6.233) 6.233 16.449 ( -0.000 0.000 6.233) 6.233 18.174 ( 0.000 -0.000 -2.387) 2.387 19.221 ( 0.000 -0.000 -4.593) 4.593 19.221 ( 0.000 -0.000 -4.593) 4.593 21.105 ( -0.000 0.000 1.910) 1.910 22.998 ( -0.000 0.000 0.100) 0.100 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 7.546 34.412 31.162) 47.034 1.610 ( 26.019 8.510 43.711) 51.576 2.550 ( 56.162 22.386 55.280) 81.922 6.561 ( -9.487 -5.611 -3.706) 11.628 7.408 ( -6.803 -5.600 -25.769) 27.234 7.658 ( -4.454 13.015 -22.368) 26.260 8.341 ( 2.255 -20.273 1.147) 20.430 8.556 ( -11.558 -5.649 9.030) 15.717 8.711 ( -2.161 1.988 1.540) 3.316 9.188 ( 3.208 -8.645 -7.422) 11.837 9.354 ( -3.540 10.636 -1.448) 11.303 9.623 ( -2.454 -2.443 9.143) 9.776 9.817 ( 4.997 -10.930 4.823) 12.950 10.326 ( -3.004 10.146 2.899) 10.971 10.667 ( -3.095 9.833 9.873) 14.274 11.302 ( 5.541 0.556 -5.837) 8.067 11.434 ( 12.269 6.031 1.067) 13.713 12.199 ( -17.943 -4.210 8.932) 20.481 12.818 ( 1.917 -11.982 -9.947) 15.691 13.607 ( 10.752 21.058 -29.971) 38.175 14.140 ( -10.020 -9.570 1.999) 13.999 14.271 ( -7.877 2.734 2.322) 8.655 14.660 ( 7.907 0.280 6.085) 9.981 15.824 ( -23.315 -8.187 32.883) 41.133 16.502 ( 7.402 -6.639 6.704) 11.992 19.016 ( -8.519 4.140 -14.239) 17.102 19.300 ( 5.355 4.561 -2.401) 7.433 19.850 ( 66.475 25.277 -54.930) 89.862 21.129 ( 1.195 0.480 2.507) 2.818 23.244 ( 15.468 9.730 -16.110) 24.361 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 16.397 34.493 20.517) 43.354 2.361 ( 23.580 12.514 39.067) 47.316 4.104 ( 65.833 27.713 34.708) 79.414 6.279 ( -12.592 -8.405 -3.652) 15.574 7.053 ( -12.183 -1.897 -25.914) 28.698 7.455 ( -15.218 2.298 -11.221) 19.047 8.147 ( -3.701 -19.551 -5.657) 20.687 8.385 ( -5.745 -5.772 6.039) 10.139 8.564 ( -10.224 -12.630 9.667) 18.908 9.120 ( -2.120 -0.851 -5.098) 5.587 9.315 ( -4.425 3.972 -5.696) 8.235 9.696 ( 6.457 -8.241 13.497) 17.081 9.877 ( 6.045 6.967 -10.515) 13.987 10.471 ( 0.813 8.575 8.958) 12.428 10.661 ( -5.704 5.211 -4.307) 8.846 11.409 ( 2.310 6.147 1.435) 6.722 11.664 ( 10.951 0.370 3.578) 11.526 12.038 ( -8.404 6.451 1.356) 10.681 12.676 ( 1.757 -10.561 -8.807) 13.863 13.613 ( -6.726 7.114 -19.185) 21.538 13.877 ( -8.562 -9.996 3.577) 13.638 14.144 ( -13.253 7.090 1.485) 15.104 14.822 ( 6.483 -0.489 5.230) 8.344 15.720 ( -9.577 -2.805 27.120) 28.898 16.641 ( 11.931 -7.141 7.764) 15.925 18.770 ( -11.375 -0.107 -16.025) 19.652 19.447 ( 7.154 5.848 -0.129) 9.241 20.383 ( 22.587 4.533 -32.941) 40.197 21.208 ( 6.783 0.837 1.569) 7.012 23.381 ( 5.417 4.052 -15.481) 16.895 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 19.777 27.759 13.567) 36.685 3.097 ( 23.057 16.270 31.927) 42.611 5.531 ( 51.609 23.369 17.239) 59.218 5.984 ( -11.271 -7.278 -0.998) 13.454 6.695 ( -12.430 2.332 -19.298) 23.073 7.147 ( -9.054 -9.569 -4.070) 13.788 7.717 ( -22.170 -14.757 -0.848) 26.646 8.318 ( -1.586 -5.298 8.017) 9.739 8.433 ( 4.666 -13.738 3.826) 15.005 9.024 ( -3.297 -0.926 -9.543) 10.139 9.248 ( -4.649 6.408 -6.943) 10.530 9.811 ( 8.008 -9.740 12.101) 17.477 9.942 ( -4.288 12.607 -8.022) 15.546 10.489 ( -1.416 -2.391 -2.048) 3.452 10.709 ( 1.372 9.443 4.297) 10.465 11.373 ( -5.482 -2.842 -10.414) 12.107 11.837 ( 3.248 -0.503 8.384) 9.005 12.042 ( -2.849 14.511 -6.884) 16.312 12.621 ( 5.884 -5.915 -0.745) 8.377 13.344 ( -13.305 -4.993 -6.100) 15.465 13.726 ( -5.291 -5.179 -1.955) 7.658 14.037 ( -10.884 12.278 2.143) 16.547 14.909 ( 1.656 -3.410 7.103) 8.051 15.720 ( -6.305 -1.411 21.476) 22.427 16.850 ( 15.540 -8.154 10.198) 20.297 18.462 ( -12.216 -1.820 -17.474) 21.399 19.635 ( 7.186 7.449 1.119) 10.411 20.450 ( 5.579 -0.506 -20.150) 20.915 21.381 ( 12.255 0.601 -0.798) 12.295 23.343 ( -1.418 0.018 -12.098) 12.181 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 19.363 20.908 7.689) 29.516 3.807 ( 22.067 17.817 25.953) 38.444 5.680 ( -16.126 -7.968 -0.738) 18.002 6.068 ( -1.877 2.443 -9.167) 9.671 6.530 ( -9.231 0.132 -8.693) 12.680 6.926 ( -8.826 -20.120 -0.223) 21.972 7.644 ( 28.577 13.996 13.525) 34.575 8.325 ( 1.624 -4.212 7.562) 8.807 8.431 ( 2.030 -5.780 3.529) 7.070 8.885 ( 0.150 -6.233 -12.758) 14.200 9.219 ( -3.597 9.096 -3.704) 10.459 9.851 ( -7.718 8.728 -4.087) 12.347 9.954 ( 7.020 -6.497 5.872) 11.223 10.462 ( 1.327 -0.117 -4.927) 5.104 10.802 ( -9.638 7.634 10.317) 16.051 11.133 ( -1.397 -10.964 -15.741) 19.234 11.800 ( -10.217 -1.897 3.297) 10.902 12.086 ( -0.596 13.527 -13.982) 19.463 12.737 ( 9.184 -3.229 6.803) 11.876 13.104 ( -7.603 -2.839 -1.320) 8.222 13.548 ( -8.211 -4.614 -1.819) 9.593 14.043 ( -5.366 12.632 2.095) 13.884 14.898 ( -2.130 -7.881 8.912) 12.086 15.730 ( -5.783 1.034 14.669) 15.802 17.110 ( 16.944 -9.433 13.366) 23.553 18.145 ( -11.245 -1.540 -15.359) 19.098 19.820 ( 4.911 8.317 0.295) 9.663 20.382 ( 1.261 -1.851 -13.978) 14.156 21.586 ( 11.937 0.656 -1.102) 12.006 23.217 ( -4.175 -1.731 -9.231) 10.278 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.732 ( 14.289 14.090 3.672) 20.401 4.465 ( 20.878 16.170 20.563) 33.469 5.227 ( -24.661 -11.104 -5.087) 27.520 5.971 ( -5.632 -3.258 2.707) 7.047 6.177 ( -12.479 -9.778 -7.632) 17.595 6.707 ( -0.568 -3.916 -3.259) 5.126 8.304 ( -5.502 -1.921 -5.321) 7.891 8.361 ( 7.028 4.841 10.561) 13.578 8.467 ( 16.605 3.750 -0.947) 17.050 8.926 ( 20.655 -1.434 0.600) 20.713 9.264 ( 0.854 7.892 1.506) 8.079 9.784 ( -4.518 9.313 -9.811) 14.262 10.031 ( 1.979 -9.232 10.057) 13.795 10.439 ( -1.311 1.955 -5.822) 6.280 10.515 ( -21.472 -5.747 -5.067) 22.798 11.100 ( 7.689 -4.328 1.947) 9.035 11.588 ( -11.310 -0.761 -1.101) 11.389 12.126 ( -0.132 13.452 -12.515) 18.373 12.867 ( 5.118 -4.485 4.645) 8.239 13.012 ( -1.480 -0.793 -1.142) 2.031 13.387 ( -4.920 -3.642 0.942) 6.193 14.093 ( -3.575 10.689 -0.033) 11.271 14.802 ( -4.148 -11.653 8.036) 14.750 15.717 ( -6.886 3.761 7.698) 10.992 17.331 ( 9.773 -11.418 10.548) 18.362 17.948 ( -2.566 1.975 -3.440) 4.724 19.925 ( -0.198 6.630 -5.063) 8.344 20.329 ( 3.480 -1.716 -7.691) 8.615 21.759 ( 7.666 1.642 0.101) 7.840 23.095 ( -2.140 -1.273 -6.408) 6.874 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.952 ( -1.934 1.630 2.348) 3.451 4.638 ( -26.130 -16.255 -4.990) 31.176 5.032 ( 17.776 12.587 13.593) 25.675 5.779 ( -2.711 -4.924 -1.144) 5.736 6.172 ( 9.611 4.822 5.831) 12.232 6.695 ( -0.594 3.864 -3.059) 4.964 8.118 ( -5.634 -1.556 -10.712) 12.203 8.398 ( -2.695 1.587 4.323) 5.335 8.713 ( 9.578 -3.797 1.848) 10.468 9.181 ( -2.736 2.036 -0.948) 3.539 9.364 ( -6.736 -5.923 -3.577) 9.657 9.753 ( -8.373 7.626 -3.947) 11.994 9.878 ( 7.650 -3.125 1.675) 8.432 10.245 ( -1.011 -6.754 -8.318) 10.762 10.493 ( 6.555 4.486 5.370) 9.588 11.225 ( 10.101 -6.505 5.054) 13.034 11.469 ( -6.861 8.506 0.439) 10.937 12.195 ( 0.220 14.744 -8.799) 17.171 12.855 ( -1.213 -5.835 -1.329) 6.106 12.991 ( 1.291 -3.059 -2.015) 3.884 13.363 ( 3.438 -2.133 5.018) 6.446 14.110 ( -3.812 6.799 -2.821) 8.290 14.656 ( -3.850 -11.448 4.466) 12.878 15.665 ( -8.607 5.873 2.004) 10.610 17.291 ( -3.636 -10.232 1.936) 11.030 18.103 ( 11.132 2.977 14.386) 18.432 19.874 ( -4.191 2.309 -11.553) 12.504 20.379 ( 6.013 0.383 -1.672) 6.253 21.852 ( 0.257 2.299 1.648) 2.841 23.075 ( 4.111 0.879 -3.783) 5.655 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.690 ( -25.296 -7.536 0.473) 26.399 4.014 ( -23.685 -25.383 -0.459) 34.720 5.439 ( 12.893 9.161 5.269) 16.671 5.898 ( 14.509 6.056 -3.800) 16.175 6.538 ( 18.033 8.471 10.647) 22.589 6.740 ( 1.090 11.045 1.005) 11.145 7.996 ( -2.768 -1.848 -7.623) 8.318 8.241 ( -32.721 -24.622 -5.240) 41.284 8.434 ( -11.821 1.769 1.187) 12.011 9.052 ( 8.942 -0.721 -3.537) 9.643 9.337 ( 2.540 0.617 4.709) 5.385 9.681 ( -7.611 8.997 -4.243) 12.525 10.084 ( 2.802 0.012 -18.505) 18.716 10.181 ( 8.784 -1.214 11.426) 14.463 10.719 ( 11.170 -2.098 7.064) 13.382 11.337 ( 11.518 -9.257 -5.245) 15.680 11.515 ( -5.729 15.939 6.555) 18.162 12.303 ( 0.573 11.876 -3.770) 12.473 12.756 ( -1.262 -1.507 -4.165) 4.606 12.967 ( 3.417 -8.181 -0.842) 8.906 13.506 ( 9.288 1.799 6.594) 11.532 14.061 ( -3.651 0.607 -3.252) 4.927 14.545 ( -0.595 -5.625 -0.289) 5.663 15.569 ( -10.340 6.574 -1.672) 12.366 17.122 ( -6.683 -9.013 2.957) 11.603 18.438 ( 13.005 2.126 18.159) 22.437 19.725 ( -5.578 0.371 -13.309) 14.435 20.493 ( 6.847 1.679 0.462) 7.065 21.827 ( -6.761 1.269 2.617) 7.360 23.196 ( 9.587 3.290 -2.202) 10.372 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( -36.678 -8.307 0.307) 37.609 3.344 ( -25.788 -32.607 3.193) 41.695 5.732 ( 11.346 7.526 1.995) 13.760 6.073 ( -9.198 -1.583 -9.374) 13.228 6.766 ( -0.242 -2.849 0.525) 2.907 7.055 ( 6.109 11.092 8.597) 15.306 7.419 ( 0.543 -6.758 0.912) 6.841 8.000 ( 1.377 2.342 -4.530) 5.282 8.398 ( -3.232 2.929 2.294) 4.928 9.155 ( 7.556 -3.469 -8.591) 11.955 9.449 ( 2.817 2.778 11.170) 11.850 9.625 ( -4.951 6.410 -2.722) 8.545 9.969 ( -0.788 -0.451 -14.107) 14.136 10.398 ( 4.306 4.424 10.776) 12.419 10.860 ( 7.996 -9.361 5.843) 13.627 11.325 ( 2.503 -6.456 -13.692) 15.343 11.606 ( -5.029 14.187 2.452) 15.251 12.300 ( -3.927 -4.526 0.473) 6.011 12.854 ( 4.167 15.263 1.789) 15.922 12.954 ( 9.473 -9.897 -3.486) 14.136 13.761 ( 11.912 4.919 6.767) 14.556 13.995 ( 0.304 -3.760 -1.135) 3.940 14.531 ( 3.017 0.134 -2.857) 4.157 15.427 ( -11.809 5.496 -4.020) 13.631 16.944 ( -7.416 -8.775 4.845) 12.469 18.759 ( 11.912 -0.004 15.409) 19.476 19.554 ( -6.593 1.413 -12.172) 13.914 20.640 ( 7.568 2.801 1.386) 8.188 21.696 ( -10.622 -1.272 2.602) 11.010 23.395 ( 10.787 4.411 -2.291) 11.877 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -41.049 -8.527 5.307) 42.260 2.586 ( -30.476 -33.813 5.741) 45.880 5.040 ( -66.533 -36.226 -5.996) 75.993 6.029 ( 13.955 8.513 0.197) 16.348 6.969 ( 21.425 11.118 -10.552) 26.344 7.332 ( 13.534 8.562 4.183) 16.552 7.851 ( 21.227 6.064 8.759) 23.750 8.095 ( 8.158 10.419 1.097) 13.278 8.391 ( -1.452 1.063 2.240) 2.874 9.130 ( 0.506 -3.076 -9.182) 9.697 9.517 ( -3.108 -1.091 3.404) 4.737 9.661 ( 5.124 0.963 4.580) 6.939 9.919 ( -1.253 6.953 -6.338) 9.491 10.485 ( -4.123 -1.048 6.364) 7.655 10.868 ( -0.678 -10.066 4.456) 11.029 11.199 ( 0.409 -1.695 -10.932) 11.070 11.619 ( -6.374 8.405 -3.861) 11.233 12.170 ( -4.775 -6.914 2.481) 8.761 12.952 ( 3.529 -5.103 8.049) 10.163 13.221 ( 15.080 18.450 -9.102) 25.508 13.967 ( 9.047 -5.663 -2.198) 10.897 14.087 ( 9.223 5.775 7.530) 13.233 14.605 ( 5.009 2.659 1.565) 5.883 15.235 ( -12.588 2.736 -6.205) 14.298 16.771 ( -7.473 -8.450 5.808) 12.688 19.006 ( 10.731 -3.096 9.415) 14.608 19.400 ( -7.397 4.454 -9.058) 12.514 20.805 ( 7.342 3.752 0.990) 8.305 21.494 ( -11.550 -4.669 1.281) 12.524 23.583 ( 8.962 4.165 -4.514) 10.864 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -43.011 -6.908 15.506) 46.240 1.796 ( -34.186 -29.615 13.555) 47.217 3.458 ( -73.391 -45.595 2.103) 86.426 6.349 ( 14.309 8.164 -1.024) 16.506 7.369 ( 20.341 13.648 -16.659) 29.623 7.641 ( 12.830 8.543 -5.678) 16.427 8.142 ( 6.866 6.318 12.091) 15.272 8.391 ( 5.685 -4.900 2.261) 7.838 8.539 ( 18.369 11.457 7.207) 22.817 9.024 ( -4.960 0.376 -7.909) 9.343 9.443 ( 1.025 -8.941 -2.476) 9.334 9.765 ( 0.484 1.100 5.783) 5.907 9.939 ( -4.765 1.620 4.298) 6.618 10.332 ( -7.919 -0.936 -3.870) 8.864 10.697 ( -11.363 -6.070 0.092) 12.883 11.239 ( 5.952 3.255 -2.252) 7.148 11.546 ( -5.747 1.380 3.216) 6.729 12.055 ( -3.924 -3.757 -0.647) 5.471 13.009 ( 3.771 -4.732 3.861) 7.178 13.589 ( 12.312 21.871 -10.108) 27.057 14.071 ( 11.899 -6.160 -0.988) 13.436 14.294 ( 6.001 4.836 -3.574) 8.496 14.779 ( 3.552 4.948 14.928) 16.122 15.004 ( -8.834 -1.843 -4.509) 10.088 16.612 ( -6.452 -7.820 6.102) 11.833 19.160 ( 8.648 -5.075 0.085) 10.028 19.297 ( -6.998 7.437 -3.084) 10.668 20.937 ( 4.359 3.267 -5.327) 7.619 21.253 ( -9.478 -8.224 -2.220) 12.743 23.690 ( 4.881 2.607 -12.381) 13.562 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 25.443 26.184 33.747) 49.717 1.900 ( -7.919 34.334 38.267) 52.018 2.826 ( -8.071 39.925 64.356) 76.163 6.544 ( -0.052 -10.855 -3.588) 11.433 7.214 ( 0.591 -15.000 -25.725) 29.785 7.447 ( 5.958 -0.609 -19.545) 20.442 8.450 ( -13.831 -4.129 3.486) 14.850 8.553 ( 0.909 -7.094 -12.982) 14.822 8.813 ( 2.799 7.123 12.858) 14.963 9.119 ( -5.413 -3.698 -1.102) 6.647 9.352 ( 7.279 6.960 -7.764) 12.716 9.600 ( 4.173 -6.401 6.037) 9.738 9.937 ( -18.006 -3.071 1.661) 18.341 10.433 ( 6.142 -11.873 5.983) 14.646 10.597 ( 15.703 11.018 17.814) 26.179 11.199 ( -3.156 -1.315 -10.775) 11.305 11.550 ( -0.369 24.803 -0.100) 24.806 12.186 ( 5.987 -23.277 7.007) 25.035 12.895 ( -18.330 2.462 -10.691) 21.362 13.336 ( 17.820 13.456 -22.708) 31.848 14.204 ( -3.843 -6.956 0.529) 7.965 14.287 ( 7.389 -4.891 2.203) 9.131 14.681 ( -2.218 4.535 5.229) 7.268 15.888 ( 4.025 -31.657 27.625) 42.208 16.661 ( -9.539 8.558 12.382) 17.820 18.993 ( 11.153 0.004 -14.611) 18.382 19.221 ( 1.410 8.837 -8.424) 12.290 19.548 ( -14.563 64.779 -41.615) 78.360 21.151 ( -0.093 2.029 3.043) 3.658 23.135 ( 0.629 10.057 -9.796) 14.053 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -1.411 35.045 31.516) 47.153 2.410 ( 20.688 29.244 31.835) 47.924 3.800 ( 34.729 40.332 48.321) 71.887 6.328 ( -8.148 -12.674 -4.654) 15.770 6.932 ( -1.124 -12.558 -23.212) 26.415 7.427 ( 6.780 -5.662 -20.993) 22.775 8.102 ( -18.351 -6.446 -3.753) 19.809 8.401 ( -2.547 -6.658 -1.547) 7.294 8.783 ( -14.655 -9.439 9.780) 19.988 9.124 ( 0.980 -0.008 4.159) 4.273 9.421 ( 0.541 -0.260 -0.865) 1.053 9.525 ( -3.024 -14.457 7.249) 16.453 9.871 ( 5.672 20.927 -12.946) 25.253 10.466 ( 9.022 -7.820 3.260) 12.377 10.800 ( -12.435 1.419 1.457) 12.600 11.317 ( 18.407 5.924 3.479) 19.647 11.719 ( -4.516 17.368 -2.115) 18.070 12.146 ( 3.459 -10.958 11.094) 15.972 12.562 ( -10.385 -0.990 -15.076) 18.333 13.542 ( 7.600 4.003 -18.020) 19.962 13.977 ( -11.429 -9.928 2.797) 15.395 14.370 ( 1.468 -0.095 3.378) 3.685 14.758 ( 1.879 5.651 3.868) 7.102 15.830 ( 1.440 -24.989 28.906) 38.237 16.649 ( -7.755 10.687 9.465) 16.247 18.853 ( -8.274 -4.109 -14.093) 16.851 19.396 ( 7.762 7.406 -1.768) 10.873 19.875 ( 19.144 31.369 -41.479) 55.416 21.196 ( 0.502 2.636 3.808) 4.658 23.216 ( 6.821 3.088 -12.366) 14.457 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 2.102 32.262 23.915) 40.214 3.167 ( 17.111 25.592 32.033) 44.428 5.110 ( 46.155 35.373 27.687) 64.406 6.045 ( -7.770 -10.496 -2.784) 13.353 6.653 ( -3.831 -10.292 -19.182) 22.103 7.247 ( -7.844 -7.798 -14.851) 18.517 7.767 ( -9.511 -10.719 -3.875) 14.845 8.308 ( -6.425 -8.635 3.976) 11.474 8.420 ( -11.327 -10.418 3.870) 15.868 9.092 ( -5.108 -2.624 2.009) 6.084 9.351 ( -4.929 6.386 -6.859) 10.588 9.573 ( 11.958 -11.766 9.488) 19.273 10.097 ( 1.858 20.490 -8.288) 22.180 10.533 ( -5.236 -5.248 -10.712) 13.027 10.604 ( 7.297 -7.035 6.241) 11.903 11.508 ( -9.110 8.439 -7.299) 14.404 11.833 ( 5.702 7.723 8.941) 13.118 12.171 ( -3.809 2.793 1.866) 5.079 12.410 ( 7.252 -7.772 -6.165) 12.288 13.436 ( -8.144 -3.953 -11.628) 14.736 13.776 ( -6.147 -5.448 4.126) 9.192 14.357 ( -9.010 9.145 1.971) 12.989 14.866 ( 3.308 -0.003 5.315) 6.260 15.807 ( 1.946 -22.313 29.218) 36.816 16.736 ( 1.178 8.368 6.729) 10.803 18.559 ( -12.125 -1.249 -16.814) 20.768 19.603 ( 7.616 9.965 1.060) 12.587 20.131 ( 14.875 9.007 -31.273) 35.782 21.279 ( 3.991 3.192 3.662) 6.287 23.231 ( 3.746 -2.832 -12.354) 13.216 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( 6.151 26.881 16.478) 32.124 3.854 ( 16.248 23.006 27.459) 39.335 5.793 ( -3.711 -4.542 0.493) 5.886 6.036 ( 3.750 9.424 -5.338) 11.462 6.495 ( 8.422 -8.516 -3.514) 12.482 6.912 ( -13.155 -7.281 -7.277) 16.704 7.577 ( 2.813 1.401 6.921) 7.601 8.136 ( 4.436 -14.843 7.908) 17.393 8.368 ( 1.899 1.490 -5.927) 6.400 8.946 ( -9.041 -3.380 -1.621) 9.787 9.324 ( -2.342 7.153 -4.380) 8.709 9.735 ( 11.265 -8.119 10.258) 17.264 10.090 ( -12.250 6.780 -7.328) 15.803 10.434 ( 1.480 7.310 -8.084) 10.999 10.730 ( 14.088 -12.708 -1.307) 19.018 11.262 ( -20.398 5.873 -5.058) 21.821 11.932 ( -4.847 3.705 -4.376) 7.508 12.166 ( -1.539 7.709 -0.667) 7.890 12.512 ( 13.266 -10.724 4.622) 17.674 13.175 ( -8.651 -5.482 -7.094) 12.459 13.652 ( -7.968 -3.087 3.137) 9.103 14.313 ( -9.442 12.257 1.749) 15.571 14.897 ( -0.870 -5.806 6.271) 8.590 15.818 ( 1.792 -17.903 26.688) 32.187 16.922 ( 8.408 5.050 6.798) 11.934 18.255 ( -12.351 1.572 -15.044) 19.528 19.831 ( 5.795 11.027 2.210) 12.651 20.187 ( 7.442 1.292 -23.886) 25.051 21.436 ( 8.502 3.630 2.770) 9.651 23.148 ( 0.435 -6.027 -11.023) 12.571 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( 7.094 22.254 9.699) 25.291 4.458 ( 15.485 17.321 21.786) 31.850 5.518 ( -22.539 -8.443 0.935) 24.086 6.000 ( 0.978 3.562 -6.594) 7.559 6.243 ( -14.695 -19.153 -6.472) 24.993 6.661 ( -4.636 -5.435 -2.886) 7.705 8.124 ( 26.995 16.103 6.455) 32.089 8.236 ( 11.859 -9.836 8.267) 17.485 8.386 ( 4.633 2.914 -8.007) 9.698 8.755 ( -4.536 -1.899 -0.953) 5.009 9.356 ( 0.159 6.342 0.334) 6.353 9.838 ( -2.104 -3.373 0.536) 4.011 9.965 ( 2.104 1.878 0.315) 2.838 10.481 ( -1.716 8.632 -5.279) 10.263 10.693 ( -4.225 -11.551 -16.972) 20.961 11.012 ( -9.367 -0.698 9.803) 13.577 11.785 ( -10.279 3.958 -5.168) 12.167 12.213 ( -2.165 11.438 -3.244) 12.085 12.640 ( 12.677 -15.071 3.850) 20.066 12.992 ( -2.618 -5.838 -5.625) 8.519 13.498 ( -9.117 -1.397 2.422) 9.536 14.296 ( -7.367 10.227 1.155) 12.657 14.808 ( -4.439 -9.873 5.263) 12.037 15.826 ( -0.597 -13.130 20.642) 24.472 17.162 ( 9.864 2.100 6.122) 11.798 18.045 ( -7.604 5.429 -5.954) 11.079 19.967 ( -0.706 6.439 -6.234) 8.990 20.188 ( 6.373 2.641 -11.151) 13.112 21.648 ( 9.811 4.740 2.707) 11.227 23.023 ( 0.222 -7.031 -9.354) 11.703 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.053 ( -0.653 12.221 5.952) 13.609 4.890 ( -3.713 -1.738 5.895) 7.180 5.046 ( -11.344 2.437 8.522) 14.396 5.771 ( -9.554 -14.450 -2.425) 17.491 6.149 ( 5.908 9.402 1.938) 11.272 6.640 ( 5.755 -0.625 -0.885) 5.856 8.159 ( -8.817 -3.691 -10.104) 13.908 8.430 ( 0.021 -5.088 2.086) 5.499 8.485 ( 15.828 1.143 -1.980) 15.992 9.052 ( 19.973 9.470 0.924) 22.124 9.478 ( 3.568 7.379 7.417) 11.054 9.711 ( -6.219 -2.091 -10.093) 12.038 10.008 ( -6.702 -1.535 4.933) 8.462 10.250 ( -15.813 -5.925 -14.171) 22.045 10.517 ( -0.031 7.739 0.615) 7.763 11.001 ( 5.662 -9.136 4.172) 11.530 11.709 ( -5.815 10.820 2.670) 12.570 12.286 ( -0.458 12.758 -3.853) 13.335 12.660 ( 7.916 -17.088 -2.781) 19.037 12.898 ( 2.180 -7.969 -3.465) 8.958 13.390 ( -4.310 0.255 3.013) 5.264 14.257 ( -7.211 5.295 -0.023) 8.946 14.653 ( -5.183 -9.140 2.327) 10.762 15.789 ( -2.951 -10.620 14.093) 17.891 17.278 ( -0.201 0.980 -1.536) 1.833 18.098 ( 4.784 7.699 10.455) 13.837 19.882 ( -3.546 0.591 -14.160) 14.609 20.302 ( 4.830 5.727 -0.808) 7.535 21.853 ( 5.691 5.781 2.909) 8.618 22.941 ( 4.698 -6.010 -7.744) 10.870 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.968 ( -16.923 -7.412 6.605) 19.620 4.351 ( -33.195 -8.387 0.497) 34.242 5.341 ( 12.193 5.080 8.368) 15.636 5.686 ( 10.098 0.075 -4.873) 11.213 6.459 ( 13.586 13.543 10.965) 22.096 6.760 ( 5.573 3.947 0.232) 6.834 7.938 ( -3.441 -5.798 -7.415) 10.022 8.354 ( -5.213 -8.392 -2.750) 10.255 8.690 ( 5.762 1.616 -5.554) 8.165 9.066 ( -37.234 -7.255 -5.401) 38.317 9.300 ( 6.218 4.080 0.020) 7.437 9.782 ( 5.054 1.994 -6.013) 8.104 9.958 ( 4.233 7.003 -2.683) 8.612 10.123 ( 2.659 1.430 5.121) 5.944 10.617 ( 4.239 0.650 2.264) 4.849 11.067 ( 8.871 -5.165 0.060) 10.265 11.787 ( -3.794 12.435 7.574) 15.046 12.363 ( -0.656 4.184 -2.380) 4.858 12.598 ( 6.905 -7.286 -9.036) 13.506 12.860 ( 3.621 -7.514 -0.184) 8.343 13.422 ( 4.902 1.027 4.288) 6.593 14.151 ( -7.856 -1.709 1.054) 8.108 14.526 ( -2.701 -3.068 -1.488) 4.349 15.697 ( -4.591 -10.156 8.751) 14.170 17.201 ( -7.147 1.567 -3.357) 8.051 18.388 ( 10.029 6.053 15.778) 19.651 19.737 ( -4.186 0.358 -12.564) 13.247 20.427 ( 4.494 4.680 1.031) 6.570 21.939 ( -2.836 3.337 1.504) 4.630 22.997 ( 11.905 -2.158 -6.173) 13.583 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.506 ( -26.233 -21.234 9.433) 35.044 3.724 ( -37.891 -2.778 4.073) 38.210 5.600 ( 11.821 2.365 3.235) 12.482 5.937 ( 16.475 5.130 -6.139) 18.315 6.847 ( 0.459 8.626 2.822) 9.087 6.982 ( 20.902 9.615 10.599) 25.331 7.684 ( -41.438 -15.907 -9.658) 45.425 7.901 ( 1.071 -4.192 -4.015) 5.903 8.523 ( -7.546 2.228 -0.329) 7.875 8.892 ( 9.165 -6.485 -6.806) 13.129 9.438 ( 5.772 3.748 3.052) 7.528 9.751 ( -4.092 2.854 -9.664) 10.876 9.986 ( -2.681 10.724 -6.193) 12.671 10.397 ( 11.146 2.323 15.407) 19.157 10.688 ( 4.990 -2.874 1.968) 6.086 11.146 ( 5.655 -3.300 -5.013) 8.247 11.865 ( -5.778 11.643 5.020) 13.934 12.273 ( -2.014 -11.314 -0.156) 11.493 12.673 ( 9.398 -0.869 -11.093) 14.564 12.928 ( 5.964 7.269 4.694) 10.509 13.603 ( 11.929 0.524 3.442) 12.427 14.009 ( -5.462 -5.541 4.028) 8.761 14.497 ( 0.980 2.492 -2.505) 3.666 15.547 ( -6.077 -11.194 4.412) 13.480 17.059 ( -9.505 0.996 -1.474) 9.670 18.675 ( 9.054 2.937 10.771) 14.374 19.613 ( -4.855 2.207 -7.314) 9.051 20.561 ( 6.123 3.734 1.665) 7.362 21.846 ( -8.773 -1.617 -1.539) 9.052 23.189 ( 14.493 2.007 -5.627) 15.675 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -31.453 -23.957 13.743) 41.858 3.100 ( -41.617 0.490 10.571) 42.942 5.782 ( -43.766 -12.763 -4.372) 45.798 5.851 ( 10.223 2.047 -1.131) 10.487 6.739 ( 4.720 4.200 -4.665) 7.854 7.240 ( 5.522 8.297 -4.825) 11.073 7.546 ( 23.943 4.305 8.551) 25.787 7.990 ( 11.868 -2.407 2.345) 12.334 8.457 ( -3.501 0.877 -1.240) 3.816 8.926 ( 7.223 -6.458 -5.341) 11.064 9.575 ( 0.418 0.005 -1.220) 1.289 9.632 ( -0.297 4.355 -7.588) 8.754 10.037 ( -3.113 12.988 -1.772) 13.473 10.590 ( 4.074 -6.368 12.560) 14.660 10.739 ( 0.066 -2.039 1.773) 2.703 11.149 ( 1.295 2.358 -3.022) 4.046 11.875 ( -9.492 13.382 -0.426) 16.412 12.130 ( -1.295 -14.115 2.643) 14.419 12.736 ( 10.157 -5.965 -6.208) 13.315 13.232 ( 10.209 20.839 0.941) 23.224 13.756 ( 7.269 -8.622 -0.475) 11.287 14.015 ( 6.830 1.236 7.249) 10.037 14.582 ( 4.967 5.743 3.190) 8.236 15.333 ( -7.657 -13.173 0.468) 15.244 16.893 ( -10.286 -0.795 0.503) 10.329 18.868 ( 7.968 0.727 2.154) 8.286 19.527 ( -6.067 3.449 -1.106) 7.066 20.717 ( 7.463 3.155 1.001) 8.164 21.621 ( -11.281 -5.831 -5.317) 13.767 23.406 ( 12.206 3.895 -7.268) 14.730 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -33.993 -18.541 21.842) 44.456 2.502 ( -42.552 1.085 19.884) 46.981 4.476 ( -79.501 -14.690 1.091) 80.854 6.128 ( 16.715 2.519 -1.573) 16.977 7.055 ( 20.954 10.777 -12.864) 26.846 7.473 ( 13.735 9.293 -5.542) 17.485 7.917 ( 18.796 -10.303 8.400) 23.022 8.293 ( 17.299 2.734 3.361) 17.833 8.401 ( 1.068 -0.968 -1.916) 2.397 8.963 ( 4.202 -1.284 0.205) 4.398 9.433 ( -5.548 -0.807 -8.272) 9.993 9.714 ( 2.716 0.555 -6.800) 7.344 10.069 ( -4.783 3.486 5.631) 8.170 10.563 ( -11.202 6.595 2.559) 13.249 10.692 ( 3.321 -12.198 3.130) 13.023 11.227 ( -0.278 7.533 4.768) 8.919 11.795 ( -13.252 8.549 4.148) 16.307 12.016 ( 1.058 -9.526 -0.830) 9.621 12.815 ( 9.075 -4.598 -7.820) 12.832 13.615 ( 10.314 22.432 -3.291) 24.908 13.787 ( 10.872 -11.353 1.834) 15.826 14.203 ( 6.986 4.016 0.407) 8.068 14.835 ( 9.921 9.081 16.723) 21.460 15.051 ( -8.962 -15.368 -2.632) 17.984 16.714 ( -9.741 -3.405 1.857) 10.485 18.993 ( 7.576 0.772 -4.902) 9.056 19.456 ( -6.661 2.348 2.669) 7.550 20.844 ( 5.005 1.123 -6.296) 8.121 21.321 ( -11.551 -6.912 -7.752) 15.534 23.551 ( 6.839 4.172 -12.037) 14.459 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -3.217 24.706 28.260) 37.674 2.537 ( -9.000 22.791 41.183) 47.922 4.019 ( -36.528 49.655 43.813) 75.628 6.344 ( 7.108 -11.929 -3.571) 14.338 6.841 ( 4.344 -17.766 -25.473) 31.359 7.317 ( -1.057 -3.631 -13.332) 13.858 8.337 ( 9.524 -4.206 -11.587) 15.578 8.503 ( 2.418 -8.497 4.729) 10.020 8.840 ( 7.314 1.490 11.973) 14.109 9.082 ( 3.061 -10.263 3.787) 11.360 9.382 ( 5.534 14.211 -10.635) 18.593 9.491 ( -6.421 -2.174 -8.993) 11.262 10.165 ( 12.946 -3.206 9.044) 16.114 10.221 ( -19.684 -8.490 4.363) 21.876 10.602 ( 8.010 5.420 4.420) 10.634 11.284 ( -9.727 1.731 -2.797) 10.268 11.738 ( 0.278 10.562 3.061) 11.000 11.934 ( 3.597 -11.620 -0.772) 12.189 12.925 ( 15.802 8.064 -5.384) 18.539 13.219 ( -15.650 -7.735 -16.476) 24.004 14.087 ( 9.005 -7.372 -1.259) 11.706 14.104 ( 7.990 -6.586 2.805) 10.728 14.790 ( -5.091 1.136 1.840) 5.532 15.784 ( 0.250 -17.529 25.261) 30.748 16.930 ( 0.395 16.961 16.424) 23.613 18.730 ( 9.391 -2.098 -16.444) 19.053 19.302 ( -8.559 1.993 -5.253) 10.239 20.128 ( -18.685 32.739 -35.391) 51.706 21.221 ( -2.393 6.253 2.289) 7.076 23.199 ( -6.537 2.561 -12.129) 14.015 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 23.352 32.518 28.011) 48.861 2.932 ( -1.536 27.932 33.897) 43.949 4.363 ( -10.636 49.741 43.880) 67.177 6.235 ( -0.786 -15.255 -5.717) 16.310 6.622 ( 4.752 -14.863 -20.148) 25.484 7.200 ( 0.355 -3.314 -14.345) 14.727 8.263 ( -5.779 -5.413 -11.792) 14.204 8.364 ( -5.496 -6.593 -2.217) 8.865 8.885 ( -2.396 -16.349 13.158) 21.123 9.106 ( 2.800 -4.268 5.962) 7.849 9.335 ( -1.547 -2.287 0.985) 2.931 9.620 ( -0.064 3.286 -2.715) 4.263 9.896 ( -4.509 9.806 -14.922) 18.416 10.190 ( 7.232 -14.825 1.057) 16.528 11.035 ( 4.660 -0.733 -7.499) 8.859 11.121 ( 2.353 13.773 16.442) 21.577 11.899 ( 12.795 -14.790 6.800) 20.705 11.908 ( -2.095 13.447 -5.574) 14.707 12.775 ( -19.852 -0.819 -10.189) 22.329 13.254 ( 18.363 0.389 -8.994) 20.451 14.052 ( -5.806 -8.718 0.362) 10.481 14.177 ( 11.118 -8.738 2.862) 14.428 14.828 ( 4.089 7.576 0.083) 8.609 15.752 ( -1.642 -18.219 24.207) 30.341 17.065 ( -13.493 14.136 18.375) 26.824 18.745 ( 3.435 -5.313 -15.195) 16.460 19.272 ( 7.669 6.342 -6.274) 11.765 19.982 ( -11.523 33.029 -34.189) 48.915 21.265 ( -1.608 5.797 3.303) 6.863 23.098 ( 0.727 -0.612 -10.289) 10.333 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 11.193 23.374 30.014) 39.655 3.408 ( 6.236 32.290 24.054) 40.744 5.132 ( 18.354 45.481 32.440) 58.803 6.005 ( -4.425 -11.400 -8.483) 14.883 6.453 ( 1.910 -13.535 -11.806) 18.062 7.071 ( 0.860 -8.134 -14.792) 16.903 7.942 ( -17.280 -3.085 -6.072) 18.574 8.280 ( 1.689 -3.361 -4.829) 6.121 8.590 ( -18.153 -21.607 9.711) 29.845 9.076 ( 0.029 -12.620 2.201) 12.810 9.367 ( 5.869 -5.336 5.862) 9.863 9.492 ( -6.850 6.867 -2.547) 10.029 10.071 ( 17.285 3.015 -16.371) 23.998 10.248 ( 6.653 3.165 -1.630) 7.546 10.764 ( -16.039 -4.282 -2.521) 16.791 11.548 ( 10.800 9.387 3.506) 14.733 11.881 ( 2.335 -2.077 0.715) 3.206 12.110 ( 10.793 -0.928 4.743) 11.825 12.405 ( -16.852 -0.545 -7.689) 18.531 13.378 ( 3.450 -3.993 -9.205) 10.611 13.854 ( -6.829 -6.617 3.530) 10.143 14.325 ( 12.072 -8.383 5.295) 15.621 14.976 ( -0.838 14.215 -1.044) 14.278 15.685 ( 0.748 -22.587 23.838) 32.848 17.047 ( -15.500 13.665 16.265) 26.297 18.578 ( -4.612 -5.386 -14.129) 15.809 19.523 ( 14.454 8.970 -3.888) 17.449 19.954 ( -1.105 22.555 -30.938) 38.303 21.318 ( -0.541 4.907 4.061) 6.393 23.052 ( 3.839 -5.432 -10.627) 12.537 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 0.610 23.050 19.313) 30.078 4.016 ( 11.887 24.903 26.314) 38.130 5.799 ( -2.468 4.671 -7.462) 9.143 6.039 ( 16.670 20.000 10.635) 28.125 6.268 ( -0.105 -13.933 -1.633) 14.029 6.907 ( -0.648 -7.442 -12.835) 14.851 7.649 ( -10.449 -0.134 0.763) 10.478 8.141 ( -13.034 -16.562 9.181) 22.988 8.285 ( 3.459 -1.119 -7.724) 8.537 8.933 ( -0.599 -14.831 -2.495) 15.052 9.383 ( -1.524 0.545 0.527) 1.702 9.599 ( 7.592 5.613 5.062) 10.713 10.216 ( 12.509 -12.153 -8.738) 19.507 10.360 ( -6.366 11.466 -6.194) 14.504 10.506 ( -1.133 -0.328 -3.255) 3.462 11.572 ( -11.884 8.045 -8.824) 16.847 11.992 ( 4.481 -2.568 1.559) 5.395 12.175 ( 1.024 -7.806 6.109) 9.965 12.279 ( 4.561 2.748 -0.606) 5.359 13.199 ( -8.160 -8.214 -9.267) 14.830 13.762 ( -4.675 -3.160 5.967) 8.213 14.437 ( 5.066 -4.618 3.999) 7.936 15.005 ( -9.807 10.310 -0.236) 14.231 15.681 ( 7.511 -23.102 25.385) 35.135 17.050 ( -7.881 11.135 11.774) 18.020 18.361 ( -8.184 0.577 -12.753) 15.164 19.832 ( 12.519 11.446 -0.827) 16.983 19.964 ( 2.440 11.232 -25.620) 28.080 21.406 ( 3.058 4.832 4.182) 7.085 22.976 ( 2.967 -9.079 -10.645) 14.302 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.990 ( 2.268 22.026 11.391) 24.900 4.540 ( 9.565 16.028 22.569) 29.287 5.775 ( -8.463 -0.739 5.735) 10.250 5.948 ( -3.180 1.306 -15.506) 15.883 6.247 ( -10.244 -14.969 3.317) 18.440 6.722 ( -9.068 -3.327 -9.283) 13.397 7.844 ( 22.546 6.080 9.280) 25.128 8.032 ( 6.944 -1.619 -0.184) 7.133 8.309 ( 4.053 -0.006 -3.463) 5.331 8.767 ( -1.472 -9.765 -3.253) 10.397 9.367 ( -0.677 -1.042 0.697) 1.425 9.826 ( 8.016 5.261 7.163) 11.968 10.042 ( -11.619 -0.214 -6.680) 13.404 10.392 ( 12.923 -10.136 -5.597) 17.351 10.580 ( -0.974 12.474 -6.334) 14.024 11.325 ( -18.600 3.279 -3.942) 19.293 11.941 ( -6.777 6.422 -4.405) 10.323 12.254 ( 14.669 -20.722 3.390) 25.614 12.349 ( -1.817 6.838 3.804) 8.033 12.932 ( -5.347 -10.429 -8.736) 14.618 13.659 ( -8.735 -2.254 4.762) 10.200 14.455 ( -1.404 -1.360 2.433) 3.121 14.876 ( -10.482 0.680 -0.703) 10.527 15.751 ( 5.660 -20.110 24.993) 32.575 17.154 ( 1.452 9.246 6.985) 11.678 18.198 ( -7.512 6.685 -6.743) 12.107 19.919 ( 1.862 3.434 -23.497) 23.819 20.127 ( 6.812 13.109 3.986) 15.301 21.572 ( 7.951 6.111 4.082) 10.827 22.855 ( 1.945 -11.057 -10.185) 15.158 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.260 ( -0.652 16.440 6.568) 17.715 4.895 ( 6.855 5.648 13.999) 16.579 5.421 ( -24.560 -3.807 4.407) 25.241 5.811 ( -15.751 -17.802 -1.342) 23.808 6.125 ( 10.433 14.229 -2.888) 17.879 6.560 ( -0.317 -3.462 -0.795) 3.567 8.134 ( 2.568 -4.713 -7.505) 9.227 8.192 ( 15.305 -0.206 -8.382) 17.451 8.340 ( 4.078 -9.348 1.860) 10.367 8.889 ( 15.078 14.607 6.161) 21.878 9.360 ( 5.024 -6.248 0.111) 8.019 9.878 ( -6.765 6.664 -4.550) 10.530 10.020 ( 6.221 1.810 3.514) 7.371 10.380 ( -9.129 -0.902 -10.071) 13.622 10.625 ( -1.585 9.364 -0.611) 9.517 11.012 ( -13.826 -4.544 1.550) 14.636 11.892 ( -5.113 7.013 1.694) 8.842 12.288 ( 12.798 -18.607 -3.402) 22.839 12.404 ( -1.859 7.941 2.004) 8.398 12.741 ( 1.007 -12.393 -6.603) 14.078 13.515 ( -8.384 -1.477 3.567) 9.230 14.398 ( -5.103 -2.136 1.692) 5.785 14.699 ( -8.228 -1.999 -2.683) 8.882 15.754 ( 0.866 -19.569 20.878) 28.629 17.299 ( 1.610 8.234 -1.070) 8.458 18.201 ( -0.420 9.949 5.420) 11.337 19.817 ( -0.509 0.425 -18.764) 18.775 20.341 ( 2.017 11.021 4.526) 12.084 21.818 ( 9.233 8.541 4.135) 13.240 22.727 ( 3.941 -11.666 -9.968) 15.843 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.249 ( -16.190 -2.218 7.901) 18.152 4.824 ( -25.399 0.088 1.105) 25.423 5.274 ( 4.156 2.499 10.789) 11.829 5.534 ( 1.088 -5.653 -4.858) 7.533 6.439 ( 10.821 11.089 7.546) 17.234 6.648 ( 10.528 1.549 0.436) 10.651 7.917 ( -7.586 -10.327 -7.591) 14.894 8.251 ( 5.304 -3.473 -12.326) 13.861 8.493 ( 11.331 0.013 2.818) 11.676 9.214 ( 4.724 4.962 -2.138) 7.177 9.486 ( 13.561 -3.131 -6.039) 15.171 9.758 ( -28.947 6.657 1.771) 29.755 10.023 ( -6.490 3.309 -5.867) 9.354 10.148 ( 3.555 6.436 4.617) 8.682 10.619 ( -3.907 1.623 -1.845) 4.616 10.956 ( 4.160 -1.420 6.048) 7.477 11.917 ( 1.007 -0.819 4.494) 4.677 12.272 ( 5.414 -11.509 -2.231) 12.913 12.478 ( 0.889 7.857 -4.931) 9.319 12.671 ( 7.879 -7.361 -3.343) 11.289 13.433 ( -2.418 -0.600 4.251) 4.927 14.267 ( -7.740 -5.173 2.180) 9.561 14.560 ( -4.941 0.755 -3.967) 6.381 15.666 ( -1.853 -19.736 15.463) 25.141 17.320 ( -4.865 7.859 -7.096) 11.653 18.410 ( 6.214 8.855 11.885) 16.071 19.707 ( -1.056 -0.053 -12.224) 12.269 20.467 ( -0.204 7.790 4.089) 8.801 22.011 ( 0.450 6.039 1.988) 6.374 22.699 ( 12.772 -7.316 -8.949) 17.226 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.844 ( -27.210 -14.320 12.104) 33.045 4.355 ( -33.724 4.279 3.379) 34.162 5.456 ( 8.873 -0.100 5.225) 10.297 5.656 ( 16.614 1.683 -4.389) 17.266 6.732 ( 13.238 -5.393 3.188) 14.646 6.918 ( 12.548 15.890 3.917) 20.623 7.705 ( -1.294 -11.495 -3.040) 11.961 8.152 ( -13.048 -0.027 -9.680) 16.247 8.627 ( 1.777 2.117 -5.170) 5.862 8.895 ( -28.865 -4.284 -6.655) 29.930 9.417 ( 1.158 3.479 5.834) 6.891 9.658 ( 5.477 -4.643 -9.591) 11.981 10.110 ( 0.897 13.199 -3.732) 13.745 10.321 ( 3.819 2.331 5.459) 7.059 10.676 ( 6.526 8.676 8.600) 13.850 11.027 ( 3.753 -4.033 1.925) 5.836 11.928 ( 4.166 -11.335 3.129) 12.475 12.243 ( -2.305 1.154 -0.149) 2.582 12.486 ( 4.372 -3.781 -7.054) 9.120 12.854 ( 12.792 9.037 -1.692) 15.754 13.482 ( 4.900 -0.009 4.671) 6.770 14.091 ( -7.836 -6.721 4.094) 11.105 14.514 ( -0.920 4.219 -2.544) 5.012 15.507 ( -3.630 -20.254 10.147) 22.943 17.229 ( -8.865 6.512 -6.964) 13.019 18.643 ( 5.991 5.509 5.725) 9.951 19.650 ( -1.011 0.891 -2.310) 2.675 20.552 ( 1.230 5.021 2.957) 5.955 21.944 ( -8.022 -2.808 -3.947) 9.371 22.901 ( 17.958 1.789 -6.291) 19.112 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( -31.157 -14.427 16.386) 38.045 3.844 ( -37.754 4.749 8.312) 38.949 5.641 ( 11.873 -1.058 2.449) 12.169 5.947 ( 13.114 2.403 -2.227) 13.517 6.794 ( 0.971 -8.478 -6.539) 10.751 7.336 ( 13.861 10.579 -1.307) 17.486 7.436 ( -25.651 0.498 1.227) 25.685 7.763 ( -2.254 -6.994 -2.478) 7.755 8.499 ( -4.058 -0.217 -3.101) 5.112 8.799 ( 4.458 3.119 -0.130) 5.442 9.530 ( 2.835 -1.166 -0.380) 3.089 9.597 ( 1.876 -0.420 -7.691) 7.928 10.202 ( -2.547 12.059 -2.244) 12.528 10.390 ( 7.698 -6.810 0.643) 10.297 10.857 ( -3.161 0.478 4.046) 5.156 11.162 ( 7.227 11.698 10.876) 17.531 11.881 ( 5.359 -16.231 0.141) 17.094 12.200 ( -7.802 6.126 0.305) 9.924 12.509 ( 7.555 -2.760 -6.019) 10.046 13.190 ( 15.552 13.412 -2.650) 20.707 13.584 ( 4.262 -3.872 0.955) 5.837 14.002 ( 0.568 -2.593 9.707) 10.063 14.590 ( 3.842 7.549 2.740) 8.903 15.283 ( -5.421 -20.685 5.314) 22.034 17.076 ( -11.069 3.570 -4.735) 12.558 18.774 ( 5.273 2.476 -4.034) 7.086 19.642 ( -3.382 0.958 5.987) 6.943 20.649 ( 4.430 2.752 0.770) 5.272 21.701 ( -10.725 -6.058 -8.159) 14.775 23.178 ( 15.263 5.020 -6.723) 17.417 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -31.997 -8.929 22.490) 40.116 3.301 ( -40.155 1.689 13.832) 42.504 5.627 ( -56.105 2.038 3.695) 56.264 5.864 ( 13.751 -0.669 -0.229) 13.769 6.747 ( 15.689 6.014 -11.827) 20.547 7.273 ( 10.031 -0.515 -5.673) 11.536 7.659 ( 7.784 -0.755 4.319) 8.934 7.869 ( 24.279 -9.307 -0.439) 26.005 8.430 ( -3.317 -0.976 -0.915) 3.577 8.947 ( 4.473 9.879 2.997) 11.252 9.424 ( -1.869 -4.325 -8.724) 9.915 9.651 ( 1.075 -0.109 -4.276) 4.410 10.230 ( -5.098 4.462 7.319) 9.973 10.467 ( 9.601 -8.867 -0.601) 13.083 10.762 ( -6.723 4.722 -7.021) 10.807 11.424 ( -2.461 11.514 17.438) 21.041 11.810 ( 5.914 -17.868 -0.773) 18.837 12.111 ( -9.916 8.330 0.276) 12.954 12.600 ( 8.107 1.480 -9.407) 12.506 13.509 ( 12.075 -5.404 -5.034) 14.154 13.594 ( 6.556 5.510 0.241) 8.568 14.165 ( 6.968 4.024 10.528) 13.252 14.833 ( 10.164 6.937 11.667) 16.957 15.018 ( -6.396 -14.371 3.280) 16.068 16.879 ( -11.999 -0.344 -2.190) 12.202 18.836 ( 6.682 -0.544 -10.638) 12.575 19.608 ( -6.652 0.161 8.317) 10.652 20.729 ( 4.320 -0.391 -6.489) 7.806 21.417 ( -11.310 -2.539 -8.062) 14.119 23.391 ( 10.164 4.854 -9.413) 14.679 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -19.438 20.420 19.942) 34.532 3.147 ( -13.025 18.484 36.245) 42.720 5.308 ( -37.537 39.587 23.903) 59.561 6.075 ( 9.382 -11.438 -2.093) 14.941 6.489 ( 1.640 -13.502 -18.631) 23.067 7.227 ( 1.640 2.250 -7.650) 8.141 7.968 ( 20.443 -13.520 -2.405) 24.626 8.390 ( 4.477 -2.911 2.049) 5.720 8.748 ( 8.481 -6.992 10.227) 15.013 8.981 ( 1.312 -4.086 1.881) 4.686 9.240 ( 10.565 13.857 -17.231) 24.506 9.586 ( -9.119 -10.156 -7.445) 15.548 10.089 ( 2.378 2.029 7.720) 8.329 10.455 ( -13.070 -5.556 -1.432) 14.274 10.551 ( 2.921 3.714 4.814) 6.745 11.367 ( 0.705 2.051 -7.534) 7.840 11.711 ( -5.368 -15.641 -4.389) 17.109 11.942 ( 0.979 9.028 3.353) 9.680 12.742 ( 6.588 1.252 1.135) 6.802 13.262 ( -5.178 -6.239 -11.284) 13.895 13.849 ( 10.005 -6.148 -2.493) 12.005 13.934 ( 5.859 -6.853 6.320) 11.011 14.887 ( -6.455 -2.468 -0.000) 6.911 15.790 ( 0.986 -12.310 24.033) 27.020 17.199 ( 3.183 23.913 18.643) 30.488 18.436 ( 10.293 -3.981 -17.291) 20.513 19.451 ( -11.840 -0.035 -5.820) 13.193 20.343 ( -5.253 12.266 -22.477) 26.139 21.381 ( -5.470 11.218 -0.394) 12.487 23.212 ( -4.132 -3.365 -12.064) 13.189 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 8.649 34.410 23.800) 42.723 3.408 ( -4.428 20.463 33.676) 39.653 5.325 ( -21.960 36.102 23.311) 48.259 6.039 ( 2.982 -11.516 -3.740) 12.470 6.331 ( 2.539 -7.017 -12.698) 14.729 7.164 ( -5.384 1.577 -8.394) 10.096 8.089 ( 10.215 -9.195 -4.332) 14.410 8.371 ( -3.194 -2.634 -8.085) 9.083 8.732 ( 5.514 -22.726 13.524) 27.014 9.018 ( 3.922 -10.289 5.898) 12.491 9.330 ( 2.377 -5.543 -10.272) 11.911 9.562 ( 4.231 15.069 -9.604) 18.363 9.978 ( -7.061 -10.562 -0.528) 12.716 10.151 ( -12.567 0.901 -1.065) 12.645 10.838 ( 14.120 6.844 0.805) 15.712 11.334 ( -3.227 3.869 -0.951) 5.127 11.610 ( 9.218 -12.226 4.841) 16.059 12.022 ( -3.157 9.051 -2.521) 9.912 12.885 ( 10.904 -7.280 -0.370) 13.116 13.011 ( -9.200 0.137 -9.248) 13.046 13.915 ( 9.679 -7.366 1.034) 12.207 14.032 ( 2.974 -5.420 1.227) 6.303 14.798 ( 1.867 0.716 -0.673) 2.110 15.814 ( -3.372 -10.827 23.782) 26.347 17.518 ( -6.365 20.152 22.419) 30.809 18.497 ( 10.369 -1.234 -17.874) 20.701 19.236 ( -4.748 -0.671 -8.356) 9.634 20.231 ( -8.779 17.833 -24.640) 31.658 21.404 ( -4.359 9.906 0.906) 10.861 23.036 ( -3.249 -5.278 -10.319) 12.037 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( 17.338 29.009 24.104) 41.511 3.763 ( 1.234 22.289 25.041) 33.547 5.531 ( 2.605 16.267 11.912) 20.330 5.998 ( -5.405 12.835 2.046) 14.076 6.246 ( 1.282 -6.326 -6.835) 9.401 6.992 ( -7.347 -3.659 -8.572) 11.868 8.097 ( -3.454 -0.072 -4.897) 5.994 8.174 ( -3.630 -6.936 -7.109) 10.574 8.635 ( -4.255 -24.180 11.269) 27.015 8.927 ( -0.363 -17.377 -0.344) 17.384 9.308 ( 2.944 -3.098 1.183) 4.435 9.586 ( 9.689 -9.448 -7.167) 15.314 9.732 ( -10.482 0.015 -3.527) 11.059 10.246 ( 7.681 18.146 -6.217) 20.662 10.892 ( -6.401 -3.645 -7.965) 10.849 11.441 ( 11.296 -2.323 7.171) 13.580 11.756 ( 7.017 -0.898 5.427) 8.916 12.029 ( 2.418 4.774 -3.724) 6.520 12.649 ( -16.808 -3.915 -3.917) 17.696 13.135 ( 14.836 -5.537 -3.274) 16.171 13.906 ( -5.544 -6.890 0.529) 8.859 14.069 ( 11.552 -5.881 3.828) 13.517 14.971 ( 11.757 8.212 -1.510) 14.420 15.735 ( -9.115 -12.483 20.694) 25.829 17.620 ( -19.460 17.294 22.784) 34.596 18.461 ( 1.798 -4.701 -14.608) 15.450 19.294 ( 14.847 5.113 -9.247) 18.223 20.105 ( -9.174 18.966 -24.541) 32.344 21.431 ( -3.523 7.395 2.448) 8.550 22.893 ( 0.457 -7.785 -9.117) 11.998 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.888 ( 5.419 12.374 15.637) 20.664 4.234 ( 9.552 26.497 22.443) 36.014 5.731 ( 8.306 -3.407 -3.777) 9.740 6.173 ( 0.855 -9.952 2.592) 10.320 6.220 ( -1.230 36.589 5.161) 36.971 6.787 ( -4.181 -4.690 -9.174) 11.119 7.861 ( -13.957 -1.674 -1.354) 14.122 8.143 ( 3.189 -5.688 -8.372) 10.612 8.272 ( -15.041 -18.971 10.397) 26.348 8.728 ( 1.184 -17.667 -6.026) 18.703 9.363 ( 2.836 -2.773 4.320) 5.865 9.653 ( 2.087 2.745 3.571) 4.964 9.732 ( 18.390 -6.302 -7.055) 20.680 10.484 ( 4.769 10.782 -7.595) 14.025 10.611 ( -14.521 0.509 -6.828) 16.054 11.638 ( 14.647 -9.121 2.302) 17.408 11.765 ( -4.901 2.795 -5.539) 7.906 12.202 ( 9.861 1.104 5.448) 11.320 12.335 ( -14.140 -1.855 -1.188) 14.311 13.158 ( -1.433 -9.671 -5.562) 11.248 13.800 ( -1.306 -4.763 4.231) 6.504 14.231 ( 11.424 -6.958 4.610) 14.149 15.227 ( 4.225 14.927 -4.882) 16.263 15.556 ( -6.134 -18.186 19.120) 27.091 17.517 ( -22.737 11.706 19.570) 32.202 18.368 ( -0.978 -0.731 -8.462) 8.550 19.599 ( 18.754 8.553 -13.775) 24.792 20.025 ( -4.223 15.952 -16.115) 23.065 21.467 ( -1.401 5.700 3.537) 6.853 22.779 ( 2.073 -10.128 -8.571) 13.429 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.129 ( 6.230 9.219 5.135) 12.254 4.728 ( 5.578 18.608 23.416) 30.425 5.779 ( 3.801 5.261 -7.348) 9.804 6.056 ( -10.581 -8.128 8.562) 15.854 6.367 ( -8.331 4.163 -3.936) 10.111 6.730 ( -1.639 2.303 -8.309) 8.777 7.719 ( 1.022 0.058 3.973) 4.103 7.920 ( -0.624 -8.206 -6.110) 10.250 8.187 ( 3.983 -9.617 1.264) 10.486 8.636 ( 4.575 -2.984 -1.295) 5.613 9.378 ( -0.154 -3.410 3.328) 4.767 9.768 ( 7.414 -1.198 1.608) 7.680 10.003 ( 15.151 3.029 -1.095) 15.489 10.239 ( -9.789 -6.511 -5.247) 12.875 10.678 ( 0.321 15.596 -7.027) 17.109 11.592 ( -13.989 4.895 -8.549) 17.110 11.790 ( 16.219 -16.931 1.035) 23.469 12.130 ( -8.253 0.827 0.092) 8.295 12.388 ( 5.463 0.175 6.608) 8.576 12.901 ( -10.006 -11.473 -7.444) 16.946 13.761 ( -3.304 -4.574 4.867) 7.451 14.345 ( 7.745 -7.864 3.169) 11.484 15.142 ( -17.443 3.413 -2.301) 17.922 15.596 ( 9.782 -9.610 13.302) 19.104 17.406 ( -13.904 8.074 16.498) 23.037 18.312 ( -3.362 5.411 -4.415) 7.751 19.757 ( 5.728 6.377 -25.994) 27.371 20.171 ( 7.858 14.455 3.594) 16.841 21.556 ( 3.571 5.761 3.886) 7.813 22.656 ( 1.459 -11.669 -8.119) 14.290 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.345 ( 7.774 6.504 0.466) 10.147 5.021 ( -1.229 10.158 17.685) 20.432 5.747 ( -14.920 -9.307 3.668) 17.964 5.898 ( -4.958 1.255 -0.206) 5.118 6.163 ( -9.093 7.334 -3.268) 12.130 6.563 ( -6.050 -4.627 -3.543) 8.401 7.882 ( 13.619 -6.450 1.249) 15.121 7.953 ( 9.915 3.441 -14.744) 18.097 8.146 ( 6.322 -11.713 -0.225) 13.313 8.850 ( 11.944 11.639 8.418) 18.681 9.320 ( -4.568 -4.554 2.563) 6.941 9.849 ( 5.428 -3.867 -4.437) 8.007 9.993 ( 0.067 1.778 -4.420) 4.764 10.390 ( 9.565 9.797 3.042) 14.026 10.739 ( -2.627 9.436 -3.156) 10.291 11.286 ( -20.140 -0.713 -5.685) 20.939 11.847 ( 10.818 -22.343 0.469) 24.828 12.070 ( -2.571 7.747 -0.509) 8.178 12.477 ( 2.458 -3.016 3.939) 5.537 12.604 ( -6.476 -7.845 -6.814) 12.244 13.649 ( -7.493 -4.511 3.728) 9.508 14.369 ( 2.559 -8.006 1.531) 8.543 14.864 ( -14.151 -0.133 -3.741) 14.638 15.684 ( 2.180 -10.773 12.661) 16.766 17.410 ( -5.131 7.585 8.538) 12.521 18.334 ( -1.007 9.377 2.217) 9.688 19.701 ( 1.538 2.208 -21.250) 21.420 20.451 ( 4.190 12.506 6.727) 14.805 21.761 ( 10.338 8.549 3.780) 13.937 22.507 ( 0.649 -12.800 -8.162) 15.195 ======================= Grid point 205 (106/294) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.441 ( -2.444 -2.361 2.704) 4.342 5.116 ( -5.972 6.146 4.720) 9.783 5.447 ( -12.560 -4.344 6.428) 14.763 5.572 ( -19.532 -4.142 0.830) 19.984 6.363 ( 13.065 8.428 -1.463) 15.616 6.498 ( 4.687 -3.797 1.408) 6.194 7.868 ( -2.600 -10.396 -2.688) 11.048 8.040 ( 9.068 5.874 -16.577) 19.787 8.327 ( 14.342 0.231 6.627) 15.801 9.174 ( 10.106 -7.721 -3.030) 13.074 9.252 ( 1.216 9.132 4.933) 10.450 9.941 ( 7.792 7.876 0.450) 11.089 10.071 ( 4.816 5.413 -7.229) 10.235 10.413 ( -16.957 6.018 0.149) 17.994 10.772 ( -10.284 4.150 -0.555) 11.104 10.944 ( -4.770 -5.709 4.176) 8.532 11.758 ( 5.163 -19.488 -0.027) 20.160 12.157 ( 3.795 4.913 -0.751) 6.254 12.393 ( 3.950 -13.922 -3.836) 14.971 12.588 ( 0.675 9.722 -1.403) 9.846 13.515 ( -5.732 -3.259 4.353) 7.901 14.299 ( -2.462 -7.981 0.601) 8.374 14.657 ( -8.293 1.313 -4.298) 9.433 15.622 ( -3.408 -14.445 11.959) 19.060 17.432 ( -4.436 7.675 -1.800) 9.045 18.480 ( 3.291 9.275 7.076) 12.121 19.629 ( 1.569 -0.019 -12.226) 12.326 20.604 ( -1.926 8.240 6.260) 10.526 22.061 ( 6.854 11.333 3.811) 13.782 22.365 ( 7.108 -12.624 -9.553) 17.353 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.218 ( -20.719 -9.688 10.747) 25.271 4.915 ( -24.647 6.845 -2.029) 25.660 5.356 ( 3.963 -5.196 -1.504) 6.705 5.462 ( 3.860 1.995 7.273) 8.472 6.487 ( 7.701 -10.758 2.238) 13.418 6.743 ( 18.926 4.070 -4.277) 19.825 7.712 ( -7.492 -0.896 0.374) 7.555 8.150 ( 5.612 7.678 -9.950) 13.764 8.574 ( 8.443 3.451 5.848) 10.834 9.128 ( -3.551 -2.528 -9.905) 10.822 9.391 ( 6.469 -2.027 -5.043) 8.449 9.797 ( -30.493 -0.128 -0.367) 30.495 10.161 ( 3.316 12.955 -1.776) 13.490 10.391 ( -2.996 4.577 1.670) 5.719 10.688 ( 9.108 8.765 10.498) 16.431 10.943 ( 1.833 -9.132 3.823) 10.068 11.684 ( 6.578 -17.213 -0.471) 18.433 12.229 ( 3.821 -2.049 -1.963) 4.759 12.369 ( 4.049 -4.183 0.811) 5.878 12.733 ( 7.892 11.866 -7.642) 16.170 13.484 ( 0.191 -0.005 6.477) 6.480 14.156 ( -5.625 -7.655 1.095) 9.562 14.573 ( -2.759 4.400 -1.956) 5.549 15.458 ( -5.853 -16.806 9.388) 20.120 17.381 ( -7.197 6.992 -6.203) 11.797 18.639 ( 3.289 4.986 0.700) 6.014 19.632 ( 3.195 0.018 1.044) 3.361 20.643 ( -3.392 4.188 3.842) 6.618 22.018 ( -8.574 -4.815 -4.795) 10.940 22.579 ( 20.298 5.357 -3.741) 21.324 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.791 ( -28.380 -8.012 15.467) 33.300 4.504 ( -31.446 5.188 2.168) 31.944 5.451 ( 11.353 -4.758 1.387) 12.387 5.691 ( 16.109 3.842 3.395) 16.905 6.510 ( 9.891 -12.431 -5.372) 16.770 7.025 ( 19.795 -7.170 -7.741) 22.431 7.634 ( -6.542 6.694 5.025) 10.624 8.171 ( -14.426 8.823 -3.749) 17.321 8.680 ( -22.932 6.181 -7.995) 25.060 8.803 ( 0.151 4.559 2.712) 5.307 9.378 ( 4.849 -8.649 -11.187) 14.949 9.585 ( -1.682 0.163 10.714) 10.846 10.227 ( 0.501 -0.507 -2.721) 2.813 10.385 ( -1.779 11.158 -3.187) 11.739 10.831 ( 0.763 -10.203 1.112) 10.292 11.235 ( 16.261 18.424 17.814) 30.351 11.604 ( 5.025 -18.811 -1.810) 19.555 12.225 ( 3.443 -7.385 -3.780) 8.982 12.427 ( 1.327 5.118 0.800) 5.348 12.975 ( 15.464 7.725 -8.574) 19.296 13.561 ( 1.320 1.862 3.665) 4.318 14.036 ( -1.841 -4.770 7.250) 8.872 14.630 ( 2.347 8.270 2.154) 8.862 15.234 ( -7.082 -16.993 6.491) 19.521 17.257 ( -10.159 4.703 -5.924) 12.666 18.678 ( 2.730 -1.063 -8.785) 9.260 19.720 ( 1.214 0.514 10.942) 11.021 20.639 ( -0.789 0.833 -0.459) 1.236 21.774 ( -10.116 -4.511 -7.019) 13.113 22.931 ( 17.014 7.030 -4.594) 18.974 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( -29.569 -2.567 18.892) 35.182 4.010 ( -35.688 1.086 7.592) 36.503 5.617 ( 12.360 -4.155 1.727) 13.154 6.052 ( 13.109 6.071 5.821) 15.575 6.511 ( 8.455 -5.498 -13.349) 16.731 7.113 ( 9.863 -16.099 -10.093) 21.408 7.706 ( -16.347 11.613 -2.329) 20.187 7.725 ( -14.739 6.977 9.706) 18.977 8.468 ( -3.488 -1.278 -0.285) 3.726 9.006 ( 4.133 14.492 -0.517) 15.079 9.301 ( 3.952 -7.981 -6.212) 10.859 9.628 ( -0.151 -2.425 3.413) 4.190 10.248 ( 6.260 -3.738 -2.529) 7.717 10.412 ( -5.616 4.613 5.759) 9.273 10.788 ( 1.488 1.697 -7.707) 8.031 11.481 ( 7.223 -20.966 -4.398) 22.608 11.692 ( 2.090 14.444 20.611) 25.255 12.183 ( 3.544 -3.816 -6.441) 8.283 12.508 ( 1.935 6.860 -3.319) 7.862 13.223 ( 13.203 -1.951 -6.991) 15.066 13.557 ( 0.441 -0.835 -0.717) 1.185 14.150 ( 7.068 1.119 13.791) 15.538 14.780 ( 3.056 -2.674 3.951) 5.666 15.068 ( -1.378 1.900 9.841) 10.117 17.067 ( -12.526 1.048 -3.562) 13.065 18.630 ( 4.806 -6.640 -14.195) 16.392 19.771 ( -4.575 0.657 12.121) 12.972 20.624 ( 1.877 -2.001 -7.376) 7.870 21.548 ( -10.134 1.606 -5.434) 11.610 23.199 ( 12.495 4.942 -7.089) 15.192 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( -22.147 17.345 12.785) 30.900 3.754 ( -16.691 15.847 29.932) 37.757 5.766 ( 9.687 -15.552 -5.105) 19.020 5.948 ( -5.253 2.968 -4.072) 7.279 6.451 ( -5.062 4.982 -4.721) 8.529 7.263 ( 15.223 -0.060 -1.753) 15.323 7.594 ( -6.404 10.586 12.105) 17.310 8.342 ( 0.590 -1.024 0.632) 1.340 8.566 ( 6.886 -13.073 4.898) 15.566 8.994 ( -6.396 -3.902 -1.880) 7.725 9.131 ( 13.061 22.146 -9.463) 27.397 9.510 ( -8.212 -19.427 -9.827) 23.268 10.159 ( 0.489 5.216 7.302) 8.987 10.475 ( 3.284 7.742 -7.825) 11.487 10.674 ( -8.560 -10.761 11.990) 18.244 11.227 ( 8.773 1.960 -12.794) 15.637 11.665 ( -12.414 -15.666 -10.829) 22.733 11.929 ( 9.245 2.147 0.310) 9.496 12.777 ( -4.956 -0.656 8.542) 9.897 13.146 ( 4.882 -3.885 -5.322) 8.200 13.625 ( 8.178 -5.413 -2.145) 10.039 13.890 ( -1.864 -4.829 6.041) 7.955 14.947 ( -4.604 -4.079 -0.204) 6.155 15.779 ( 4.324 -10.386 21.038) 23.857 17.502 ( 4.085 26.937 20.725) 34.232 18.121 ( 9.845 -4.947 -16.099) 19.508 19.603 ( -12.475 -2.630 -7.613) 14.849 20.350 ( 0.157 6.776 -13.997) 15.551 21.578 ( -5.637 11.041 -1.637) 12.504 23.135 ( -0.880 -6.414 -10.363) 12.219 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -3.754 30.233 18.657) 35.724 3.881 ( -8.945 16.751 28.491) 34.239 5.622 ( -1.525 -12.381 -9.348) 15.589 5.958 ( 3.264 -1.364 2.872) 4.557 6.432 ( -7.170 16.288 -2.081) 17.917 7.341 ( -7.668 7.073 -2.325) 10.688 7.765 ( 12.649 -1.881 8.920) 15.591 8.341 ( 0.209 1.812 -8.747) 8.936 8.505 ( 3.055 -22.019 8.713) 23.877 8.867 ( 2.055 -8.338 -2.931) 9.074 9.150 ( -3.838 -17.568 -9.928) 20.541 9.572 ( 10.888 19.771 -2.660) 22.727 10.064 ( -10.392 -1.132 -3.554) 11.041 10.391 ( -15.480 -4.875 3.884) 16.688 10.710 ( 9.755 5.340 1.077) 11.173 11.275 ( 2.681 -1.759 -12.145) 12.561 11.429 ( 6.460 -7.312 2.822) 10.157 12.103 ( 4.550 5.543 -0.148) 7.173 12.703 ( 0.230 -9.037 5.489) 10.575 13.071 ( -5.158 -4.413 -8.343) 10.756 13.708 ( 9.121 -3.955 1.520) 10.057 13.943 ( 4.211 -2.290 5.185) 7.061 14.793 ( -3.654 -3.634 -2.400) 5.685 15.898 ( 1.273 -7.381 24.018) 25.159 17.915 ( 0.422 23.346 21.438) 31.699 18.186 ( 12.419 -0.489 -15.852) 20.143 19.293 ( -12.104 -5.130 -11.528) 17.485 20.330 ( -2.754 11.124 -15.868) 19.574 21.585 ( -5.147 10.242 -0.985) 11.505 22.961 ( -3.103 -8.888 -10.089) 13.799 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.564 ( 9.627 28.116 20.084) 35.869 4.100 ( -2.409 17.946 21.233) 27.905 5.470 ( 1.858 -6.634 -5.452) 8.786 6.022 ( 5.179 -4.990 4.115) 8.286 6.483 ( -6.375 20.455 -3.945) 21.786 7.176 ( -16.037 6.357 -3.481) 17.598 7.991 ( 7.407 -0.733 5.357) 9.170 8.246 ( -7.224 0.927 -4.733) 8.686 8.400 ( 6.749 -22.843 1.707) 23.880 8.803 ( -1.692 -15.367 3.502) 15.852 8.982 ( 12.969 -15.996 -8.267) 22.190 9.556 ( -11.714 -3.106 -4.461) 12.914 9.982 ( -13.510 2.142 5.568) 14.769 10.252 ( 4.880 13.725 -6.087) 15.787 10.833 ( 3.387 -2.086 -6.769) 7.851 11.253 ( 5.877 -4.814 -4.275) 8.717 11.652 ( 14.363 2.297 9.869) 17.578 12.103 ( -7.071 2.534 -1.502) 7.660 12.782 ( 7.695 -7.696 6.693) 12.776 12.826 ( -3.935 -6.571 -11.322) 13.669 13.855 ( 8.135 -3.246 3.562) 9.455 13.948 ( -1.181 -3.134 1.063) 3.513 14.832 ( 9.415 3.776 -0.996) 10.193 15.915 ( -7.630 -8.021 21.597) 24.269 18.202 ( -0.899 14.949 14.683) 20.973 18.268 ( -1.046 5.493 -6.681) 8.712 19.070 ( 3.311 -3.722 -12.116) 13.100 20.263 ( -6.939 13.265 -18.764) 24.004 21.588 ( -4.842 8.001 0.609) 9.371 22.770 ( -1.728 -9.993 -8.463) 13.208 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.954 ( 4.440 4.990 11.114) 12.967 4.469 ( 7.326 27.360 16.949) 33.007 5.542 ( 10.453 1.470 1.724) 10.696 6.070 ( 3.856 -6.757 5.561) 9.563 6.525 ( -3.583 11.358 -10.575) 15.927 6.970 ( -15.653 15.249 -5.088) 22.437 7.986 ( -2.957 -4.625 -1.922) 5.817 8.030 ( -8.348 -17.625 -0.379) 19.506 8.375 ( -3.192 -2.809 6.451) 7.726 8.553 ( -5.204 -15.059 -1.601) 16.013 9.142 ( 24.074 -13.281 -0.873) 27.508 9.385 ( -3.370 -2.654 -0.220) 4.296 9.838 ( -6.547 5.846 4.942) 10.073 10.441 ( 3.312 5.350 -7.676) 9.925 10.734 ( -4.034 2.131 -10.447) 11.400 11.318 ( 10.213 -8.258 0.946) 13.168 11.908 ( -2.194 6.085 2.534) 6.947 12.045 ( 7.769 -2.672 2.824) 8.688 12.513 ( -12.341 -4.298 -4.929) 13.967 12.970 ( 10.620 -9.755 1.144) 14.466 13.807 ( -3.578 -4.164 0.551) 5.517 14.049 ( 8.644 -1.684 3.840) 9.607 15.096 ( 15.494 7.060 -2.361) 17.190 15.752 ( -15.255 -9.200 15.516) 23.624 18.124 ( -17.883 4.244 3.900) 18.789 18.354 ( -3.999 9.993 10.409) 14.973 19.226 ( 21.695 2.585 -14.281) 26.102 20.156 ( -6.345 13.259 -17.366) 22.752 21.589 ( -3.900 5.891 2.354) 7.447 22.620 ( 0.350 -9.946 -6.314) 11.786 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.065 ( 6.060 -0.940 0.541) 6.156 4.939 ( 6.959 20.568 17.517) 27.899 5.735 ( 4.514 2.626 1.521) 5.440 6.108 ( 3.123 -6.376 8.846) 11.342 6.426 ( -4.193 -1.028 -11.070) 11.882 6.907 ( -10.980 21.071 -10.774) 26.089 7.716 ( -3.666 -16.603 -2.839) 17.238 7.888 ( -6.951 0.734 -2.942) 7.583 8.087 ( -8.933 -18.789 5.681) 21.566 8.595 ( 4.484 8.205 3.538) 9.998 9.346 ( 1.770 -4.270 4.409) 6.387 9.439 ( 21.679 -10.206 0.948) 23.980 9.964 ( 5.190 12.942 5.943) 15.157 10.265 ( -8.377 -9.417 -10.426) 16.357 10.759 ( 1.583 11.563 -8.309) 14.327 11.417 ( 11.379 -11.927 2.680) 16.701 11.799 ( -11.377 4.210 -6.417) 13.724 12.158 ( 3.232 -6.303 -3.764) 8.022 12.367 ( -0.937 1.585 6.408) 6.668 12.910 ( -5.051 -11.063 -0.773) 12.186 13.753 ( -0.112 -4.019 1.778) 4.396 14.176 ( 7.295 -3.950 2.731) 8.734 15.396 ( 13.938 7.293 -4.822) 16.454 15.447 ( -18.694 -9.839 8.592) 22.806 17.901 ( -20.583 4.804 16.792) 26.995 18.404 ( -4.402 7.700 3.868) 9.676 19.484 ( 15.837 2.913 -23.519) 28.503 20.188 ( 5.253 13.280 -4.360) 14.932 21.612 ( -1.127 4.943 3.490) 6.155 22.505 ( 0.194 -9.180 -4.228) 10.109 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.187 ( 10.811 -1.409 -3.066) 11.326 5.251 ( -0.376 9.434 15.811) 18.416 5.740 ( -0.032 -3.526 -4.820) 5.972 6.065 ( -7.439 -3.697 4.544) 9.469 6.315 ( -3.047 -1.508 -4.613) 5.730 6.740 ( -19.593 8.020 -6.407) 22.119 7.645 ( 8.872 -5.234 0.793) 10.331 7.788 ( 1.933 2.700 -8.210) 8.856 7.983 ( 3.192 -5.302 4.043) 7.393 8.803 ( 8.477 4.999 5.390) 11.221 9.365 ( 0.168 -3.203 7.280) 7.955 9.655 ( 12.433 -5.357 0.161) 13.539 9.980 ( -4.192 -0.978 -8.281) 9.333 10.319 ( 12.317 10.794 4.119) 16.888 10.822 ( 0.121 6.998 -6.130) 9.304 11.473 ( 5.512 -13.031 2.027) 14.293 11.556 ( -11.808 -2.476 -7.028) 13.963 12.095 ( 1.590 -2.462 -8.147) 8.658 12.435 ( -1.667 -1.507 7.149) 7.493 12.682 ( -8.132 -5.419 1.134) 9.838 13.699 ( -2.879 -5.207 1.231) 6.076 14.240 ( 4.698 -6.055 0.929) 7.720 15.088 ( -17.529 -7.006 1.563) 18.942 15.599 ( 7.309 2.559 -4.201) 8.811 17.749 ( -17.187 5.226 19.545) 26.546 18.443 ( -1.435 8.639 2.180) 9.024 19.520 ( 6.918 -0.246 -23.671) 24.663 20.473 ( 10.958 11.349 3.481) 16.156 21.711 ( 5.436 5.626 3.233) 8.465 22.391 ( -2.162 -7.682 -2.334) 8.315 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.323 ( 9.973 -4.738 -2.907) 11.418 5.268 ( -7.814 -1.103 3.872) 8.790 5.600 ( -8.031 -12.285 5.102) 15.538 5.927 ( -12.941 3.249 -3.412) 13.772 6.225 ( 0.885 1.331 -5.146) 5.389 6.504 ( -9.332 2.133 1.442) 9.681 7.818 ( 5.057 0.384 9.335) 10.623 7.874 ( 8.671 9.368 -13.765) 18.773 8.119 ( 13.153 2.424 3.612) 13.854 8.952 ( 7.298 -6.681 -0.466) 9.906 9.379 ( -2.534 0.612 8.727) 9.108 9.833 ( 13.433 5.726 3.080) 14.924 9.999 ( 5.203 6.691 -6.320) 10.573 10.550 ( 2.831 3.981 -3.402) 5.953 10.836 ( 0.926 -0.332 0.694) 1.204 11.164 ( -21.207 -4.429 -6.063) 22.497 11.488 ( 5.968 -15.406 1.530) 16.592 12.099 ( 6.921 -0.701 -6.491) 9.514 12.294 ( -8.902 -5.640 2.622) 10.860 12.674 ( 0.159 6.461 3.557) 7.377 13.585 ( -4.965 -4.831 1.454) 7.079 14.225 ( 1.348 -7.599 -0.787) 7.757 14.795 ( -11.366 -3.201 -1.020) 11.853 15.624 ( -1.521 -2.614 -2.417) 3.871 17.653 ( -12.529 5.973 10.823) 17.601 18.548 ( 1.856 7.847 2.455) 8.428 19.492 ( 5.768 -2.061 -12.699) 14.099 20.702 ( 3.277 5.613 3.602) 7.431 21.950 ( 14.854 5.263 0.437) 15.765 22.261 ( -5.879 -2.930 0.101) 6.569 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.351 ( 0.762 -9.050 2.141) 9.331 5.095 ( -7.102 -4.781 -6.124) 10.526 5.398 ( -4.730 -12.081 6.051) 14.316 5.650 ( -20.293 7.665 0.285) 21.694 6.332 ( 8.701 -2.644 -0.878) 9.136 6.461 ( 3.836 -1.179 -2.014) 4.490 7.885 ( -5.488 7.588 6.132) 11.194 8.054 ( 8.804 10.779 -10.003) 17.139 8.447 ( 16.207 3.728 8.399) 18.631 8.976 ( 6.646 -4.968 -5.867) 10.162 9.373 ( -3.367 -0.672 4.086) 5.337 10.073 ( -3.148 7.948 -11.547) 14.367 10.254 ( 13.300 15.267 7.608) 21.630 10.485 ( -5.121 -1.499 1.346) 5.504 10.741 ( -12.679 -7.891 1.189) 14.981 10.825 ( 1.102 -9.468 0.212) 9.535 11.436 ( 4.411 -12.695 -0.577) 13.452 12.160 ( -2.701 -5.920 2.553) 6.990 12.244 ( 10.148 4.292 -1.158) 11.079 12.751 ( -0.782 9.482 -3.834) 10.258 13.513 ( -0.453 -1.890 3.624) 4.112 14.137 ( -1.674 -8.169 -1.124) 8.414 14.657 ( -4.205 2.165 -0.141) 4.731 15.491 ( -7.274 -6.961 -0.526) 10.082 17.566 ( -10.358 6.507 2.439) 12.474 18.624 ( 1.268 1.630 -4.926) 5.341 19.556 ( 7.455 -0.540 3.224) 8.140 20.739 ( -2.630 -0.107 0.892) 2.780 22.045 ( -2.977 -8.324 -3.387) 9.467 22.367 ( 12.571 14.145 2.172) 19.048 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.188 ( -14.799 -7.557 10.055) 19.422 4.892 ( -10.795 -2.967 -6.315) 12.853 5.272 ( 0.081 -7.097 1.799) 7.322 5.560 ( 3.598 2.236 2.450) 4.894 6.344 ( -2.356 -1.661 2.751) 3.985 6.586 ( 16.528 -8.877 -7.964) 20.381 7.884 ( -8.367 10.339 6.127) 14.644 8.230 ( 7.054 7.253 -5.944) 11.735 8.801 ( 11.339 10.227 11.549) 19.146 8.972 ( -0.622 -0.108 -12.766) 12.782 9.273 ( -9.916 -0.200 -5.919) 11.550 9.822 ( -19.872 -2.394 5.814) 20.843 10.265 ( -8.757 -1.213 -3.822) 9.631 10.488 ( 1.251 11.199 0.414) 11.276 10.716 ( -0.291 -12.350 0.732) 12.376 10.982 ( 25.356 -10.015 3.430) 27.477 11.464 ( 7.887 4.192 7.428) 11.616 12.079 ( -0.115 -10.736 1.868) 10.898 12.449 ( 5.453 7.834 1.702) 9.696 12.810 ( 5.159 8.044 -10.354) 14.090 13.560 ( 2.564 -0.072 1.769) 3.116 14.039 ( -0.663 -5.963 3.659) 7.027 14.690 ( 1.253 7.506 1.936) 7.852 15.276 ( -8.889 -8.359 1.280) 12.269 17.452 ( -11.204 5.542 -1.236) 12.561 18.556 ( 0.240 -6.763 -11.669) 13.489 19.736 ( 6.461 1.285 12.501) 14.130 20.657 ( -3.381 -3.534 -3.645) 6.100 21.870 ( -8.567 -2.616 -1.816) 9.139 22.725 ( 14.668 10.619 -1.668) 18.185 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( -23.102 -1.547 13.080) 26.593 4.557 ( -25.341 -0.654 2.740) 25.497 5.339 ( 14.454 -9.265 -0.049) 17.168 5.787 ( 19.412 -0.420 2.141) 19.535 6.316 ( 1.174 1.230 -5.362) 5.625 6.682 ( 12.896 -13.268 -6.030) 19.460 7.918 ( -4.806 12.716 7.601) 15.574 8.307 ( -6.067 6.014 -0.670) 8.569 8.672 ( -28.374 5.538 -6.115) 29.550 9.041 ( -4.000 1.459 -15.276) 15.858 9.148 ( 9.217 7.808 10.175) 15.794 9.657 ( -3.490 -6.124 10.457) 12.611 10.156 ( -0.700 -2.177 -4.397) 4.956 10.570 ( -4.557 0.420 6.502) 7.951 10.690 ( 6.786 5.159 -5.682) 10.245 11.063 ( 13.468 -24.600 -7.763) 29.100 11.884 ( 8.601 16.675 18.608) 26.426 11.966 ( 4.004 -12.887 -3.605) 13.968 12.562 ( -0.193 8.658 -2.355) 8.975 12.974 ( 12.207 3.690 -7.301) 14.694 13.532 ( -1.628 -4.836 -3.525) 6.202 14.113 ( 6.978 -0.933 11.668) 13.627 14.760 ( -2.245 -2.284 -0.396) 3.227 15.183 ( 0.900 7.698 9.339) 12.136 17.279 ( -13.433 2.475 -1.405) 13.731 18.397 ( 1.817 -12.189 -14.008) 18.657 19.891 ( 0.697 1.149 12.597) 12.669 20.542 ( -1.177 -4.006 -8.772) 9.715 21.715 ( -9.244 3.221 -0.812) 9.823 23.009 ( 11.930 6.313 -4.725) 14.300 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( -18.620 14.796 6.952) 24.778 4.354 ( -19.065 13.563 23.996) 33.515 5.365 ( 16.148 -15.949 -5.187) 23.281 5.976 ( -2.012 0.891 0.972) 2.406 6.374 ( 13.687 -0.498 -5.674) 14.825 6.787 ( 15.767 -11.093 -4.237) 19.739 8.268 ( -7.725 6.167 2.791) 10.271 8.293 ( -5.941 1.598 0.611) 6.182 8.441 ( -6.990 7.967 2.940) 10.999 9.011 ( -1.796 -1.576 -4.297) 4.917 9.184 ( -1.446 11.383 3.794) 12.086 9.470 ( -11.178 -5.468 -9.867) 15.881 10.236 ( 1.331 2.824 8.466) 9.023 10.428 ( 4.935 5.908 -7.399) 10.678 10.622 ( 10.844 -9.950 2.432) 14.917 11.091 ( -1.446 -2.532 -1.342) 3.210 11.671 ( -8.927 -13.916 -6.044) 17.604 11.738 ( 6.482 1.250 -12.715) 14.326 12.891 ( -4.360 -5.669 6.888) 9.929 13.028 ( 3.155 -1.653 -1.013) 3.703 13.482 ( 5.179 0.492 1.556) 5.430 13.931 ( -4.032 -4.441 3.117) 6.760 14.955 ( -0.404 -3.613 1.066) 3.788 15.686 ( 6.886 -11.689 13.101) 18.859 17.747 ( 13.556 14.154 11.914) 22.936 17.919 ( -1.788 7.166 0.797) 7.429 19.700 ( -10.176 -5.378 -11.075) 15.972 20.342 ( 0.525 7.897 -8.411) 11.550 21.742 ( -4.216 7.449 -1.175) 8.640 23.025 ( -0.949 -6.466 -7.957) 10.297 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.545 ( -8.390 24.366 12.938) 28.836 4.365 ( -13.221 14.160 22.420) 29.631 5.393 ( 7.882 -11.991 -5.104) 15.231 5.960 ( -2.688 1.086 3.993) 4.934 6.515 ( 5.052 7.318 -9.124) 12.741 6.983 ( 25.792 -17.520 -1.779) 31.230 8.145 ( -16.698 5.814 10.081) 20.353 8.271 ( 4.891 -2.798 -9.649) 11.174 8.398 ( -8.187 5.589 0.915) 9.955 8.858 ( -8.891 0.934 -2.581) 9.305 8.986 ( -5.445 -22.553 -6.461) 24.084 9.626 ( 6.412 24.555 2.758) 25.528 10.185 ( -7.088 -0.269 -4.487) 8.393 10.569 ( -4.487 -1.772 4.297) 6.460 10.623 ( 3.348 -1.621 2.694) 4.593 11.123 ( 8.899 1.799 -10.144) 13.614 11.295 ( -3.409 -12.185 -1.336) 12.724 11.961 ( 14.066 3.622 -3.213) 14.876 12.715 ( -7.773 -14.009 4.594) 16.667 13.028 ( -0.473 -3.559 -4.807) 6.000 13.583 ( 5.580 -0.065 4.690) 7.290 13.925 ( 1.239 -0.041 5.839) 5.969 14.807 ( -5.568 -6.221 -3.105) 8.907 15.877 ( 10.532 -6.384 19.579) 23.131 17.867 ( 7.644 -2.841 -13.826) 16.051 18.263 ( 4.388 22.522 22.875) 32.401 19.380 ( -12.820 -5.202 -12.902) 18.918 20.379 ( -0.650 10.938 -10.507) 15.181 21.741 ( -4.043 7.747 -1.117) 8.810 22.856 ( -2.969 -10.474 -8.822) 14.012 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.826 ( 1.378 21.962 15.975) 27.192 4.449 ( -6.906 16.395 15.418) 23.542 5.380 ( 2.555 -1.901 -1.210) 3.407 5.966 ( 0.141 -1.602 6.413) 6.611 6.569 ( 2.053 4.144 -10.998) 11.931 7.204 ( 14.900 -7.619 -6.008) 17.781 8.001 ( -2.097 -11.506 6.208) 13.242 8.234 ( -10.583 3.173 -10.840) 15.478 8.292 ( 2.646 -1.501 0.640) 3.109 8.701 ( -1.030 -12.857 -2.070) 13.063 8.785 ( -6.653 0.602 5.612) 8.725 9.696 ( -11.376 -2.966 -3.568) 12.286 10.218 ( 3.786 19.433 -0.642) 19.809 10.322 ( -14.342 -8.035 4.672) 17.091 10.703 ( 4.054 -2.391 -5.802) 7.471 11.136 ( 2.758 1.860 -6.251) 7.081 11.458 ( 16.663 0.608 7.814) 18.415 12.163 ( 4.408 2.408 -1.764) 5.323 12.525 ( 4.007 -14.467 1.941) 15.136 12.872 ( -7.541 -6.140 -5.818) 11.332 13.728 ( 7.559 -1.238 5.898) 9.668 13.969 ( -0.979 0.522 3.741) 3.902 14.736 ( 3.713 0.623 -2.246) 4.384 16.046 ( 0.724 -6.951 21.663) 22.763 17.914 ( 12.783 -1.507 -18.663) 22.671 18.633 ( 3.576 15.251 18.233) 24.038 19.063 ( -14.072 -0.357 -6.363) 15.448 20.374 ( -4.712 11.617 -14.414) 19.103 21.736 ( -4.475 6.368 0.196) 7.785 22.650 ( -2.195 -11.700 -7.910) 14.292 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.021 ( -2.382 1.535 9.403) 9.821 4.716 ( 4.291 26.816 11.155) 29.359 5.472 ( 5.252 6.241 4.582) 9.356 6.004 ( 2.123 -3.706 6.842) 8.066 6.526 ( -0.653 -0.908 -11.937) 11.990 7.216 ( -3.090 7.037 -14.383) 16.308 7.838 ( 1.232 -25.754 -7.756) 26.924 8.054 ( -7.503 -0.895 7.044) 10.330 8.463 ( 8.543 9.079 5.817) 13.756 8.541 ( -1.577 -17.686 0.915) 17.779 8.758 ( -1.900 2.760 4.788) 5.844 9.468 ( -8.358 -2.643 -0.548) 8.783 10.054 ( -11.790 -1.677 6.737) 13.682 10.425 ( -0.533 7.505 -5.186) 9.138 10.669 ( 3.375 -1.565 -9.151) 9.878 11.182 ( 3.316 2.159 -3.065) 5.005 11.792 ( 15.372 -0.410 8.923) 17.779 12.098 ( -6.783 -1.639 0.192) 6.980 12.553 ( 0.552 -5.898 -11.171) 12.645 12.727 ( 6.158 -6.845 6.536) 11.291 13.808 ( 0.947 -4.187 1.504) 4.549 13.986 ( 0.957 2.719 3.204) 4.310 14.901 ( 12.912 5.137 -2.503) 14.120 15.998 ( -11.704 -8.779 17.759) 23.010 18.022 ( 12.742 -1.001 -14.607) 19.409 18.815 ( 4.264 -5.374 -13.116) 14.802 18.951 ( -10.450 19.782 25.452) 33.887 20.272 ( -7.250 10.194 -17.789) 21.747 21.719 ( -4.305 4.232 2.006) 6.361 22.492 ( 0.279 -9.508 -4.831) 10.669 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.993 ( -0.841 -3.098 1.400) 3.502 5.099 ( 5.809 18.057 9.412) 21.175 5.683 ( 7.638 4.141 4.404) 9.740 6.022 ( 1.818 -6.969 3.869) 8.176 6.416 ( -2.602 -0.387 -9.489) 9.847 7.151 ( -5.299 15.832 -18.630) 25.016 7.563 ( -1.701 -16.938 -5.015) 17.747 8.000 ( -4.095 -4.158 12.579) 13.867 8.251 ( -17.482 -6.097 2.969) 18.751 8.677 ( -2.146 9.027 3.401) 9.883 8.936 ( 24.699 -10.332 5.190) 27.272 9.358 ( -2.806 -2.451 3.487) 5.103 10.053 ( 2.009 7.888 8.833) 12.012 10.248 ( -8.711 -8.513 -10.716) 16.222 10.728 ( 4.389 5.176 -7.996) 10.488 11.246 ( 4.381 -0.407 -0.040) 4.400 11.942 ( -4.695 -5.386 -1.562) 7.314 12.016 ( 2.361 1.007 -0.144) 2.571 12.426 ( -1.372 0.045 -1.396) 1.958 12.825 ( 4.657 -8.302 4.424) 10.496 13.755 ( -2.410 -1.395 -0.904) 2.928 14.066 ( 4.412 -1.029 2.035) 4.966 15.172 ( 15.121 4.946 -4.539) 16.544 15.734 ( -18.807 -8.451 8.783) 22.411 18.113 ( 3.494 0.600 1.072) 3.704 18.752 ( -8.065 4.277 6.216) 11.045 19.113 ( 5.095 5.309 -6.691) 9.946 20.203 ( 0.917 10.484 -11.861) 15.857 21.708 ( -2.859 2.877 3.431) 5.313 22.415 ( 0.778 -5.841 -0.770) 5.942 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.002 ( 5.523 -2.541 -2.126) 6.440 5.339 ( 5.427 3.058 6.107) 8.723 5.712 ( -4.211 -5.777 -3.245) 7.851 5.989 ( 3.898 -12.788 -2.646) 13.628 6.355 ( -3.263 5.609 -2.854) 7.089 7.074 ( -10.505 15.488 -16.328) 24.836 7.511 ( 6.056 0.504 4.272) 7.428 7.885 ( -11.835 -7.109 7.872) 15.892 8.056 ( -8.387 10.398 7.963) 15.552 8.726 ( 4.366 -2.172 0.113) 4.877 9.252 ( 18.565 -13.254 7.577) 24.037 9.398 ( 6.750 0.909 3.492) 7.654 9.985 ( -4.896 -5.014 -9.044) 11.441 10.296 ( 7.193 11.634 7.460) 15.580 10.776 ( 3.477 1.057 -6.927) 7.822 11.308 ( 4.142 -3.060 1.690) 5.420 11.718 ( -12.773 -3.575 -6.071) 14.588 11.991 ( -0.552 -0.880 -9.140) 9.199 12.506 ( 3.337 3.565 8.316) 9.643 12.745 ( -6.185 -8.189 3.491) 10.840 13.702 ( -2.294 -1.059 -1.506) 2.941 14.120 ( 4.255 -4.318 0.137) 6.064 15.294 ( -10.740 -13.195 7.536) 18.608 15.471 ( 2.821 9.245 -13.715) 16.779 18.156 ( -7.667 2.115 17.534) 19.253 18.674 ( -14.621 9.779 9.335) 19.914 19.149 ( 14.352 -6.169 -26.747) 30.975 20.381 ( 11.448 9.965 -2.091) 15.321 21.732 ( 0.236 2.650 3.877) 4.702 22.383 ( -1.292 -1.806 3.189) 3.885 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.075 ( 9.215 -5.521 -4.474) 11.637 5.367 ( -2.556 -14.652 6.642) 16.289 5.512 ( -3.535 -10.549 -7.758) 13.563 5.866 ( 2.689 -8.245 -10.811) 13.859 6.357 ( -5.779 9.769 0.368) 11.356 6.888 ( -21.071 13.651 -3.750) 25.385 7.720 ( 7.807 0.362 4.890) 9.219 7.859 ( 6.298 15.063 4.645) 16.975 8.107 ( -3.036 7.834 7.232) 11.086 8.777 ( 6.332 -7.519 0.753) 9.858 9.374 ( 6.633 -10.395 8.935) 15.227 9.611 ( 16.877 -1.463 1.244) 16.986 9.953 ( 4.597 5.124 -4.194) 8.061 10.506 ( 2.956 7.137 -0.200) 7.728 10.775 ( 2.155 -5.320 -4.786) 7.473 11.337 ( 2.112 -5.232 3.419) 6.598 11.395 ( -17.223 -3.331 -7.697) 19.157 11.962 ( 4.268 3.749 -8.165) 9.946 12.484 ( -13.530 -4.013 6.518) 15.545 12.718 ( 4.713 3.826 6.107) 8.611 13.621 ( -4.581 -2.032 -2.054) 5.417 14.121 ( 2.359 -6.358 -1.072) 6.866 14.959 ( -14.600 -8.304 2.506) 16.982 15.558 ( 4.455 4.548 -14.309) 15.661 18.074 ( -18.856 3.499 20.598) 28.144 18.615 ( -3.964 6.281 -4.253) 8.559 19.211 ( 15.416 -5.972 -12.081) 20.477 20.633 ( 9.809 3.659 -1.618) 10.594 21.823 ( 5.654 1.897 2.821) 6.597 22.379 ( -3.782 4.408 6.470) 8.695 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.116 ( 9.783 -12.339 -6.335) 16.974 5.153 ( -3.154 -18.249 3.431) 18.835 5.271 ( -6.831 -13.975 -4.461) 16.182 5.861 ( 5.427 0.957 -11.823) 13.044 6.318 ( -11.376 12.320 0.777) 16.787 6.668 ( -17.512 8.297 6.440) 20.421 7.868 ( 11.294 3.658 -8.786) 14.769 8.148 ( -6.102 9.085 9.455) 14.463 8.290 ( 16.031 13.902 9.430) 23.220 8.811 ( 5.733 -4.225 -0.588) 7.147 9.416 ( 2.435 -8.873 10.174) 13.717 9.973 ( 25.998 -4.359 3.167) 26.551 10.075 ( 4.637 9.457 -8.123) 13.301 10.522 ( -3.583 -1.352 -1.119) 3.989 10.688 ( 0.327 -6.012 -4.117) 7.294 11.005 ( -20.135 -3.005 -7.344) 21.642 11.324 ( 0.292 -5.547 4.819) 7.353 12.130 ( 10.040 10.082 -2.713) 14.485 12.262 ( -11.003 -4.443 6.184) 13.381 12.850 ( -0.655 7.502 2.648) 7.983 13.515 ( -2.624 -2.398 -1.536) 3.873 14.066 ( -0.011 -7.317 -1.207) 7.415 14.749 ( -6.056 -1.341 1.524) 6.387 15.508 ( -2.835 0.022 -13.143) 13.446 17.903 ( -17.977 5.441 12.332) 22.468 18.555 ( 0.150 -3.924 -12.153) 12.771 19.407 ( 13.568 -0.238 5.952) 14.818 20.713 ( 2.092 -3.358 -3.994) 5.621 21.943 ( 5.525 -2.706 1.884) 6.434 22.456 ( -0.828 13.426 6.613) 14.989 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 10.142 -16.192 -3.817) 19.484 5.008 ( 6.913 -25.844 -4.067) 27.060 5.024 ( -10.502 1.947 3.168) 11.141 5.797 ( -11.579 8.438 -6.137) 15.587 6.315 ( 1.837 3.089 -0.936) 3.715 6.541 ( -11.531 5.260 8.684) 15.364 8.046 ( 12.670 3.290 -10.109) 16.539 8.156 ( -7.007 7.239 7.120) 12.337 8.722 ( 13.161 10.050 4.933) 17.278 8.900 ( 5.180 5.841 0.982) 7.869 9.403 ( -2.653 -5.290 9.089) 10.845 9.987 ( -2.612 -11.277 -10.672) 15.745 10.351 ( 7.757 -5.844 -5.403) 11.114 10.410 ( 4.038 -9.395 -0.062) 10.226 10.663 ( -12.492 4.605 -2.178) 13.491 10.703 ( 1.036 2.170 2.619) 3.555 11.403 ( 9.935 4.943 9.045) 14.316 12.085 ( -6.925 -7.158 6.630) 11.965 12.422 ( 9.634 12.411 0.430) 15.717 12.844 ( -5.688 6.467 -5.338) 10.132 13.503 ( 2.780 -1.555 -1.075) 3.362 13.994 ( 0.596 -6.398 1.498) 6.598 14.748 ( 0.915 5.778 2.099) 6.215 15.337 ( -6.569 -2.366 -9.374) 11.688 17.738 ( -15.396 5.623 5.066) 17.156 18.397 ( -0.610 -12.090 -12.237) 17.212 19.683 ( 10.886 2.296 11.785) 16.208 20.624 ( -2.287 -6.197 -6.384) 9.187 21.950 ( -2.443 -3.018 3.286) 5.087 22.671 ( 5.794 14.669 2.187) 15.923 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.085 ( 2.344 -11.727 2.352) 12.188 4.857 ( -6.614 -0.049 0.018) 6.614 4.972 ( 7.923 -16.448 0.675) 18.269 5.684 ( -5.362 8.295 -2.179) 10.114 6.294 ( -1.612 -7.941 -1.083) 8.175 6.545 ( -1.539 9.140 4.688) 10.387 8.161 ( -4.635 8.807 5.471) 11.357 8.220 ( 10.378 -0.220 -4.043) 11.140 8.813 ( -2.202 1.525 -11.836) 12.136 9.133 ( 2.887 5.911 7.019) 9.620 9.377 ( -7.978 15.231 3.399) 17.527 9.714 ( -6.068 -17.244 2.193) 18.411 10.148 ( -6.181 -7.241 -2.977) 9.975 10.477 ( 11.375 -11.333 -9.469) 18.641 10.598 ( 3.097 -8.628 -1.816) 9.345 10.760 ( -1.948 10.540 4.338) 11.563 11.768 ( 9.510 0.144 3.823) 10.250 12.014 ( 2.149 3.580 14.932) 15.505 12.637 ( 1.102 9.358 -0.078) 9.423 12.826 ( 4.921 6.691 -9.010) 12.254 13.478 ( -1.018 -4.929 -4.203) 6.557 14.038 ( 7.080 -2.495 7.434) 10.565 14.791 ( -4.004 -0.112 -4.292) 5.870 15.270 ( 2.989 8.066 3.653) 9.346 17.538 ( -15.164 1.544 -0.306) 15.245 18.189 ( -0.906 -14.068 -8.091) 16.253 19.912 ( 6.178 1.321 9.150) 11.119 20.482 ( -2.756 -4.554 -7.600) 9.279 21.878 ( -6.342 0.334 3.342) 7.176 22.902 ( 6.928 10.034 -1.830) 12.330 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.907 ( -7.836 8.094 2.039) 11.449 4.877 ( 2.023 -2.440 5.617) 6.449 4.931 ( 0.854 3.209 9.550) 10.111 5.926 ( 15.022 -8.706 3.509) 17.714 6.171 ( -2.948 9.481 2.958) 10.360 6.575 ( -0.580 -8.069 -7.468) 11.010 8.073 ( 4.732 -4.806 -10.106) 12.150 8.376 ( -1.586 -4.194 4.502) 6.354 8.823 ( -4.869 13.999 -1.360) 14.884 9.061 ( -7.910 -0.053 -3.062) 8.482 9.321 ( -9.120 -5.654 -5.800) 12.197 9.678 ( -3.637 12.855 2.443) 13.581 10.047 ( 22.360 -8.743 0.098) 24.009 10.349 ( 5.618 6.296 -6.488) 10.643 10.488 ( -4.071 7.455 6.406) 10.639 11.161 ( -9.444 -11.724 9.825) 17.977 11.532 ( 9.707 9.641 -7.365) 15.538 11.754 ( -18.098 -12.491 -14.626) 26.410 12.874 ( 0.116 -9.360 2.240) 9.625 12.999 ( -0.370 0.712 -0.543) 0.969 13.481 ( 2.194 5.987 5.042) 8.129 13.958 ( -3.352 -4.697 -0.540) 5.795 14.900 ( 6.538 -0.658 3.727) 7.555 15.501 ( 3.760 -16.472 2.129) 17.029 17.586 ( 13.174 1.337 5.393) 14.298 18.210 ( -3.774 17.836 17.879) 25.535 19.696 ( -5.442 -5.849 -14.735) 16.761 20.386 ( -1.071 8.479 -4.925) 9.864 21.834 ( -1.457 2.123 0.485) 2.620 22.981 ( -5.092 -3.285 -5.592) 8.246 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.931 ( -5.525 16.839 5.906) 18.680 4.831 ( -13.492 9.516 14.478) 21.959 5.119 ( 12.054 -3.984 3.784) 13.247 6.069 ( 2.279 -1.406 7.156) 7.640 6.330 ( 14.788 1.969 -1.538) 14.998 6.469 ( 7.180 -12.356 -8.637) 16.698 8.081 ( 6.578 -2.793 -8.008) 10.733 8.274 ( -7.703 -7.012 1.134) 10.478 8.701 ( -10.699 5.176 -12.525) 17.267 8.866 ( -9.531 -14.055 -5.630) 17.890 9.138 ( -11.048 11.280 7.269) 17.382 9.854 ( -0.229 24.072 1.784) 24.139 10.246 ( -1.417 0.528 -1.637) 2.228 10.527 ( 13.483 -1.581 4.261) 14.228 10.548 ( 3.366 3.668 -2.001) 5.366 10.967 ( -1.542 -10.686 3.540) 11.362 11.308 ( -11.579 -8.728 -6.014) 15.698 11.757 ( 11.596 7.874 -5.423) 15.029 12.705 ( -6.520 -15.871 1.285) 17.206 12.992 ( -0.775 -1.463 -1.527) 2.252 13.565 ( 1.502 0.485 4.855) 5.105 13.947 ( 1.490 1.575 4.791) 5.259 14.820 ( -5.986 -7.824 -1.832) 10.020 15.646 ( 18.998 -7.370 8.519) 22.086 17.710 ( 2.731 -3.499 -0.441) 4.460 18.509 ( 3.069 16.447 17.574) 24.265 19.446 ( -8.349 -1.968 -12.484) 15.147 20.437 ( -0.050 10.869 -7.635) 13.283 21.847 ( -1.619 4.963 0.237) 5.226 22.784 ( -6.460 -9.290 -7.044) 13.329 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( -1.471 15.465 10.150) 18.557 4.813 ( -9.500 13.665 10.132) 19.485 5.300 ( 8.045 1.574 5.983) 10.149 6.075 ( -5.926 2.090 7.129) 9.503 6.411 ( 7.050 -5.684 -11.436) 14.587 6.682 ( 27.533 -10.417 -1.266) 29.465 7.934 ( -8.631 -12.826 -13.623) 20.605 8.186 ( 3.031 -1.078 1.379) 3.501 8.476 ( -15.834 3.349 -8.978) 18.508 8.603 ( -1.022 -12.092 2.849) 12.465 9.127 ( -12.247 14.488 7.081) 20.250 9.876 ( -16.458 0.299 -4.376) 17.032 10.250 ( 5.924 13.360 -6.714) 16.083 10.528 ( -9.389 -7.976 11.210) 16.656 10.616 ( 2.801 2.421 -4.063) 5.496 11.101 ( 7.375 6.282 -5.024) 10.913 11.231 ( 11.513 -2.348 11.173) 16.214 12.001 ( 13.675 5.224 -4.036) 15.185 12.420 ( -7.338 -17.246 0.280) 18.744 12.888 ( -5.370 -5.276 -4.961) 9.016 13.646 ( 5.356 -2.431 6.540) 8.796 14.030 ( 0.108 3.593 5.920) 6.925 14.688 ( -0.592 -2.164 -2.782) 3.574 15.950 ( 16.246 -7.553 12.866) 22.057 17.670 ( 1.628 -3.176 -9.468) 10.119 18.695 ( 0.831 0.328 1.048) 1.377 19.332 ( -6.752 11.731 6.824) 15.158 20.469 ( -2.851 10.844 -10.933) 15.661 21.865 ( -3.653 6.154 1.311) 7.275 22.537 ( -4.357 -12.583 -7.182) 15.130 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.183 ( -7.148 2.658 9.485) 12.171 4.960 ( 0.828 21.072 5.542) 21.804 5.481 ( 5.645 5.219 4.950) 9.144 6.035 ( -3.978 -0.770 5.823) 7.094 6.397 ( 4.758 -4.178 -10.572) 12.323 6.993 ( 21.081 -5.781 -7.608) 23.146 7.606 ( -5.578 -12.058 -10.581) 16.985 8.148 ( -0.170 -8.990 -3.506) 9.651 8.306 ( -5.165 -7.031 13.001) 15.657 8.559 ( -0.754 4.617 -0.455) 4.700 9.085 ( -12.815 12.461 4.881) 18.529 9.590 ( -10.856 -2.613 -1.827) 11.314 10.217 ( -9.081 -7.147 4.085) 12.257 10.545 ( 4.911 3.867 -6.769) 9.213 10.585 ( -9.023 8.221 -0.885) 12.239 11.168 ( 1.011 4.649 -2.324) 5.295 11.586 ( 17.217 0.916 10.487) 20.180 12.152 ( -2.582 -2.754 0.452) 3.802 12.298 ( 12.886 -4.095 -3.710) 14.020 12.701 ( -4.890 -6.556 -3.314) 8.825 13.736 ( 4.239 -3.815 3.776) 6.839 14.070 ( -2.940 3.817 4.028) 6.280 14.745 ( 8.482 3.479 -3.588) 9.845 16.119 ( 1.720 -10.295 16.444) 19.477 17.660 ( 12.316 -2.353 -16.916) 21.056 18.627 ( 0.378 -5.330 -9.019) 10.483 19.470 ( -7.253 17.028 21.973) 28.730 20.386 ( -8.521 7.964 -15.975) 19.779 21.845 ( -5.730 3.085 3.131) 7.221 22.365 ( 1.198 -8.903 -4.347) 9.980 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.081 ( -9.308 -0.891 5.614) 10.906 5.189 ( 3.707 9.380 0.843) 10.121 5.625 ( 4.926 2.394 -0.430) 5.494 5.978 ( -2.315 -5.343 -0.958) 5.901 6.389 ( 1.772 2.649 -4.366) 5.405 7.155 ( 7.066 6.742 -15.414) 18.248 7.436 ( -0.673 -4.020 -0.946) 4.185 8.106 ( -1.339 -9.135 15.002) 17.616 8.218 ( 6.025 -15.310 2.597) 16.656 8.664 ( 4.628 6.806 2.854) 8.711 8.982 ( -16.309 8.655 3.489) 18.790 9.426 ( -6.459 -4.005 3.150) 8.227 10.137 ( 0.567 2.301 8.034) 8.376 10.292 ( -13.455 -8.228 -9.081) 18.199 10.687 ( 1.945 9.418 -5.885) 11.274 11.207 ( 1.678 2.158 -2.396) 3.636 11.863 ( 7.625 -0.382 7.248) 10.527 12.085 ( -4.325 -0.046 0.728) 4.386 12.376 ( 2.919 -1.451 -6.878) 7.611 12.689 ( 7.933 -2.924 4.226) 9.452 13.751 ( 0.594 -2.509 -0.520) 2.631 14.066 ( -2.593 1.836 1.590) 3.553 14.949 ( 13.459 5.004 -6.067) 15.589 15.987 ( -14.239 -11.306 11.643) 21.590 17.859 ( 22.894 -1.441 -10.025) 25.035 18.553 ( 4.267 -4.982 -10.827) 12.659 19.570 ( -18.666 12.878 22.384) 31.864 20.214 ( -3.504 6.769 -17.643) 19.219 21.794 ( -3.698 -0.878 4.395) 5.811 22.348 ( 3.074 -1.693 1.020) 3.654 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( -4.666 -1.056 1.752) 5.094 5.229 ( 3.558 -10.055 -5.047) 11.800 5.653 ( 1.585 -6.247 -4.571) 7.901 5.853 ( -2.725 -4.825 -7.094) 9.001 6.449 ( -0.367 7.703 1.757) 7.909 7.192 ( -1.287 14.242 -18.512) 23.392 7.517 ( 3.574 10.415 7.214) 13.163 8.029 ( -6.111 -10.066 19.041) 22.388 8.328 ( 8.745 -0.558 6.237) 10.756 8.721 ( -14.701 -0.197 -1.763) 14.808 8.846 ( 10.519 -7.664 4.458) 13.757 9.377 ( 0.837 -1.915 5.419) 5.809 9.967 ( -7.576 -6.736 -9.041) 13.584 10.338 ( 7.470 9.128 10.351) 15.693 10.728 ( -0.540 4.691 -6.440) 7.986 11.242 ( 3.042 -0.100 -1.728) 3.500 11.859 ( -9.670 0.873 -1.249) 9.789 11.998 ( -4.209 0.125 -4.812) 6.394 12.454 ( 8.826 0.750 3.307) 9.455 12.781 ( -0.248 -1.975 5.094) 5.469 13.726 ( -0.963 0.568 -2.390) 2.638 14.043 ( -0.232 -2.187 -0.715) 2.313 15.163 ( 11.709 1.789 -7.942) 14.261 15.646 ( -18.664 -7.669 2.707) 20.359 18.202 ( 17.213 0.928 7.832) 18.934 18.547 ( 13.434 -7.964 -17.963) 23.803 19.307 ( -30.764 5.698 7.500) 32.173 20.286 ( 8.426 9.115 -5.228) 13.469 21.772 ( -0.827 -1.565 4.750) 5.069 22.418 ( 1.472 3.033 6.405) 7.238 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.913 ( 0.465 -5.592 -3.700) 6.721 5.086 ( 5.190 -26.843 -6.969) 28.215 5.512 ( -4.943 -9.050 -2.211) 10.546 5.739 ( -1.891 0.036 -9.646) 9.830 6.535 ( -1.832 11.493 1.987) 11.807 7.202 ( -4.750 19.992 -15.856) 25.955 7.722 ( -0.422 3.057 9.191) 9.695 7.995 ( -1.409 4.684 13.091) 13.974 8.416 ( -13.610 12.723 11.443) 21.865 8.598 ( 8.786 -7.612 2.421) 11.874 8.967 ( 18.185 -22.425 1.574) 28.914 9.448 ( 5.973 1.376 1.453) 6.299 9.879 ( 4.440 1.505 -3.904) 6.100 10.580 ( 3.108 7.687 8.015) 11.532 10.683 ( -2.391 -1.601 -5.581) 6.279 11.288 ( 3.534 -0.949 0.216) 3.665 11.614 ( -16.668 -0.814 -5.052) 17.436 11.940 ( -0.365 6.932 -6.504) 9.513 12.641 ( 2.872 -3.222 2.629) 5.054 12.716 ( -3.729 3.378 9.228) 10.511 13.687 ( -4.514 2.164 -2.549) 5.618 14.017 ( 2.205 -4.863 -1.630) 5.582 15.119 ( -11.450 -11.166 2.394) 16.171 15.438 ( 1.945 5.977 -15.692) 16.905 18.405 ( -2.710 0.369 13.854) 14.122 18.642 ( 14.306 -12.969 -20.308) 28.023 18.951 ( -13.437 8.414 7.054) 17.352 20.493 ( 9.234 5.126 -2.781) 10.921 21.794 ( 1.940 -1.331 4.065) 4.697 22.525 ( -0.660 7.287 10.398) 12.714 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.808 ( 4.131 -15.527 -9.959) 18.903 4.813 ( 4.090 -36.868 -4.116) 37.322 5.377 ( -6.156 0.764 1.448) 6.370 5.701 ( 3.111 3.959 -10.213) 11.387 6.614 ( -5.360 14.340 1.442) 15.377 7.149 ( -19.662 16.390 -1.913) 25.668 7.668 ( 4.064 -5.864 -3.953) 8.156 8.254 ( 7.101 12.756 5.379) 15.559 8.446 ( -3.906 10.123 14.047) 17.749 8.710 ( 5.683 -0.111 6.648) 8.747 9.039 ( 19.617 -29.041 0.113) 35.046 9.666 ( 13.192 5.625 4.013) 14.892 10.009 ( 7.901 6.788 -6.098) 12.070 10.549 ( -4.664 -8.233 -2.288) 9.735 10.670 ( -1.752 4.603 2.468) 5.509 11.252 ( -15.717 -3.432 -2.501) 16.281 11.346 ( -2.490 2.358 -0.149) 3.433 12.072 ( 7.568 12.395 -2.911) 14.812 12.455 ( -12.468 -4.946 4.323) 14.093 12.914 ( 5.188 7.188 7.699) 11.742 13.575 ( -7.842 0.622 -3.333) 8.543 13.991 ( 0.826 -5.256 -1.101) 5.434 14.851 ( -8.890 -5.630 2.226) 10.756 15.429 ( 1.733 3.367 -19.350) 19.717 18.361 ( -16.051 -3.884 -8.336) 18.499 18.375 ( -2.846 -6.072 4.207) 7.916 19.201 ( 17.138 4.115 8.764) 19.684 20.606 ( 3.957 -0.936 -4.170) 5.825 21.856 ( 4.579 -2.187 3.099) 5.946 22.661 ( -1.827 12.030 11.087) 16.461 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.683 ( 11.579 -21.423 -10.169) 26.390 4.542 ( 8.915 -34.804 -4.753) 36.241 5.305 ( -10.701 8.538 4.570) 14.432 5.784 ( 6.034 5.389 -7.464) 11.008 6.627 ( -13.284 17.470 0.815) 21.962 6.884 ( -20.931 1.866 9.521) 23.071 7.768 ( 13.339 1.860 -11.287) 17.572 8.366 ( -5.094 5.310 5.460) 9.163 8.654 ( 9.385 8.553 -0.174) 12.699 8.914 ( 9.398 2.282 11.779) 15.240 9.070 ( 18.174 -27.430 -0.193) 32.905 9.831 ( -2.026 -0.617 -0.366) 2.150 10.193 ( 8.504 7.751 -5.406) 12.713 10.394 ( -3.073 -9.715 2.293) 10.444 10.673 ( -2.011 -0.748 -2.264) 3.119 10.992 ( -12.402 11.150 -2.940) 16.935 11.388 ( 3.071 3.501 9.283) 10.386 12.193 ( -7.179 -5.648 5.525) 10.676 12.392 ( 7.408 12.616 -0.965) 14.662 13.014 ( -6.913 6.268 2.722) 9.721 13.469 ( -1.718 0.904 -2.155) 2.900 13.929 ( -0.113 -6.295 -0.381) 6.307 14.792 ( 0.615 3.165 2.337) 3.982 15.321 ( -2.465 0.794 -17.752) 17.940 18.025 ( -10.904 -6.817 -14.032) 19.033 18.273 ( -7.020 -5.980 9.626) 13.330 19.564 ( 14.595 3.528 9.458) 17.746 20.567 ( -1.599 -3.865 -4.727) 6.312 21.919 ( 3.822 -4.167 3.186) 6.490 22.820 ( -1.505 14.810 7.591) 16.710 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( 19.776 -17.696 -4.034) 26.843 4.400 ( 15.388 -29.716 -6.772) 34.142 5.244 ( -12.747 11.977 6.780) 18.759 5.837 ( -3.178 6.717 -5.561) 9.281 6.477 ( -20.188 7.934 6.977) 22.786 6.742 ( -6.645 4.528 6.405) 10.280 7.950 ( 13.297 2.450 -10.375) 17.043 8.342 ( -4.248 2.917 2.942) 5.934 8.836 ( 1.208 10.475 -6.105) 12.184 9.022 ( 23.361 -37.260 1.619) 44.007 9.225 ( 7.119 3.988 3.886) 9.038 9.724 ( -7.512 2.762 5.337) 9.620 10.204 ( -7.946 -8.242 -2.585) 11.737 10.283 ( 0.565 1.316 -9.334) 9.443 10.590 ( -2.786 -1.240 1.203) 3.278 10.975 ( -7.217 13.431 2.007) 15.379 11.684 ( 10.291 7.454 9.156) 15.662 12.078 ( -0.499 -2.674 10.134) 10.493 12.650 ( 8.711 10.247 -0.636) 13.464 12.885 ( -10.689 4.592 -4.918) 12.631 13.457 ( -2.192 0.346 -1.558) 2.712 13.927 ( 6.319 -3.826 3.214) 8.056 14.825 ( -3.671 0.837 -6.950) 7.905 15.276 ( 5.502 7.648 -2.866) 9.848 17.677 ( -9.387 -13.041 -15.140) 22.077 18.169 ( -8.271 -2.441 12.359) 15.071 19.828 ( 9.438 0.764 3.643) 10.145 20.467 ( -3.269 -1.831 -2.709) 4.623 21.931 ( 0.357 -4.776 3.636) 6.014 22.969 ( -0.850 13.397 2.483) 13.652 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.824 ( 16.011 -11.338 -2.198) 19.742 4.515 ( 26.048 2.162 4.359) 26.498 5.296 ( -12.184 4.842 7.032) 14.878 5.765 ( -5.004 -2.357 -1.590) 5.755 6.483 ( -14.312 10.142 9.613) 20.003 6.526 ( -7.002 -1.563 -2.514) 7.602 7.931 ( 1.373 -5.251 -6.544) 8.501 8.384 ( -0.213 -1.382 2.677) 3.020 8.868 ( 38.262 -1.812 2.252) 38.371 8.973 ( -3.456 -5.361 -10.184) 12.017 9.286 ( -7.226 4.130 -9.181) 12.392 9.543 ( 1.474 -9.652 8.548) 12.977 9.964 ( -2.684 6.895 -14.457) 16.241 10.321 ( 3.824 7.716 3.119) 9.159 10.794 ( -8.770 14.464 10.025) 19.663 11.246 ( -10.025 -13.766 4.485) 17.611 11.474 ( 3.630 7.955 -8.955) 12.517 11.916 ( -20.314 -4.558 -7.073) 21.987 12.763 ( 3.046 -8.534 -0.366) 9.068 13.042 ( -1.950 5.004 -1.437) 5.560 13.561 ( -1.051 5.897 5.785) 8.328 13.945 ( -2.385 -4.775 -3.837) 6.574 14.781 ( 11.923 3.183 5.845) 13.655 15.311 ( -3.473 -20.621 -4.158) 21.321 17.427 ( 14.649 2.152 11.084) 18.495 18.548 ( -5.484 13.595 18.382) 23.512 19.600 ( -0.747 -4.429 -16.982) 17.565 20.470 ( -3.157 6.748 -3.163) 8.094 21.834 ( 2.191 -2.487 2.632) 4.233 23.068 ( -10.023 0.961 -4.355) 10.970 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.991 ( 12.314 0.280 -1.837) 12.454 4.911 ( 10.649 8.024 7.225) 15.165 5.244 ( -6.733 4.972 10.096) 13.115 5.721 ( 13.021 -15.668 -0.406) 20.376 6.317 ( -4.999 -4.795 -2.639) 7.412 6.506 ( -10.762 14.577 5.438) 18.918 7.907 ( 5.595 -5.485 -4.958) 9.272 8.354 ( -5.208 0.473 -1.328) 5.395 8.699 ( -7.398 -10.174 -10.309) 16.264 9.010 ( -14.596 2.071 -9.441) 17.506 9.380 ( 1.303 8.238 7.788) 11.412 9.820 ( 35.976 -3.490 5.899) 36.623 10.000 ( 5.659 12.403 -10.840) 17.418 10.479 ( 5.219 7.686 -0.062) 9.290 10.735 ( -19.868 5.698 2.064) 20.772 10.966 ( -8.711 -16.460 4.740) 19.217 11.363 ( -5.704 -5.151 -6.347) 9.968 11.754 ( -2.692 14.187 -1.993) 14.577 12.655 ( -3.687 -13.321 0.166) 13.823 13.017 ( -3.648 0.878 -0.427) 3.776 13.571 ( -1.220 -2.631 0.518) 2.946 13.951 ( 3.738 2.738 3.538) 5.830 14.836 ( -5.451 -8.517 1.560) 10.231 15.277 ( 18.280 -7.037 0.202) 19.589 17.663 ( 4.908 -2.711 11.338) 12.649 18.694 ( -2.062 6.922 10.441) 12.696 19.463 ( -1.831 3.216 -11.436) 12.019 20.488 ( -0.165 7.802 -5.544) 9.573 21.887 ( 2.169 2.727 2.343) 4.199 22.831 ( -12.411 -5.270 -5.730) 14.651 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.207 ( 8.451 7.248 1.990) 11.310 5.080 ( -3.809 8.176 5.792) 10.719 5.296 ( 1.258 4.343 11.036) 11.926 5.895 ( 24.397 -17.409 -0.376) 29.974 6.225 ( 0.794 -1.965 -5.804) 6.179 6.486 ( -7.135 7.671 4.364) 11.349 7.849 ( -2.319 -9.356 -9.622) 13.620 8.228 ( -6.206 3.765 -3.974) 8.276 8.534 ( -0.555 -9.352 4.705) 10.484 8.719 ( -15.204 7.157 -12.004) 20.651 9.418 ( -7.245 3.365 9.619) 12.503 10.105 ( -6.539 6.127 -12.702) 15.544 10.311 ( -7.377 11.136 -6.249) 14.747 10.493 ( 19.682 -0.448 5.141) 20.347 10.590 ( -1.456 -3.536 2.617) 4.634 10.832 ( 11.756 -7.282 5.087) 14.734 11.314 ( -3.887 6.053 5.881) 9.292 11.883 ( 4.653 11.156 -3.374) 12.549 12.412 ( -8.740 -13.191 -0.484) 15.831 12.906 ( -6.353 -5.037 -3.616) 8.877 13.566 ( 4.318 -4.423 3.573) 7.139 14.079 ( 3.075 4.149 4.717) 6.994 14.684 ( -3.650 -3.917 -0.464) 5.374 15.575 ( 22.692 -6.719 1.846) 23.738 17.671 ( -5.308 -4.400 5.172) 8.619 18.670 ( -2.274 -4.754 -5.534) 7.642 19.532 ( 1.450 12.892 6.108) 14.339 20.526 ( -0.026 6.755 -6.866) 9.632 21.979 ( 0.588 8.001 2.568) 8.424 22.508 ( -12.113 -10.922 -6.172) 17.438 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.364 ( -1.925 4.908 6.982) 8.749 5.110 ( -0.538 6.040 -0.952) 6.138 5.445 ( 5.086 1.883 5.749) 7.904 6.047 ( 8.259 -10.631 -4.225) 14.109 6.243 ( 3.703 4.345 -2.164) 6.105 6.556 ( 13.916 -3.092 0.659) 14.271 7.627 ( -8.689 -0.701 -6.762) 11.032 8.092 ( -7.367 -6.180 -5.566) 11.111 8.447 ( -7.107 -9.701 15.748) 19.814 8.646 ( -1.449 15.584 -6.487) 16.942 9.340 ( -8.070 -0.739 4.143) 9.102 9.770 ( -14.826 -0.876 -5.361) 15.790 10.304 ( -6.912 -4.752 2.019) 8.627 10.523 ( -1.489 6.050 -4.832) 7.884 10.738 ( 2.887 7.513 1.201) 8.138 11.149 ( 10.649 1.135 -2.629) 11.027 11.402 ( 9.456 2.746 12.077) 15.582 12.077 ( 9.529 8.406 -2.351) 12.922 12.197 ( -4.848 -4.575 1.632) 6.862 12.697 ( -6.594 -7.852 -5.618) 11.692 13.644 ( 5.567 -3.706 4.026) 7.806 14.162 ( -0.439 2.835 3.654) 4.646 14.657 ( 2.622 2.502 -3.381) 4.956 15.880 ( 20.591 -10.852 4.824) 23.771 17.511 ( -6.338 -4.189 -5.911) 9.626 18.550 ( -1.167 -4.937 -6.039) 7.887 19.752 ( 2.157 13.087 12.179) 18.007 20.494 ( -5.629 3.633 -8.252) 10.629 22.036 ( -9.795 6.350 4.555) 12.531 22.235 ( 0.862 -8.589 -4.791) 9.873 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.306 ( -11.809 -0.025 7.552) 14.017 5.130 ( 3.461 -5.851 -7.613) 10.207 5.550 ( 4.967 1.849 -4.185) 6.753 5.948 ( -2.298 -5.692 -9.667) 11.452 6.389 ( 3.789 8.324 4.908) 10.380 6.860 ( 22.518 0.432 -3.526) 22.797 7.530 ( -5.323 8.163 3.291) 10.286 7.909 ( 0.446 -8.483 -3.681) 9.258 8.318 ( -10.514 -10.467 20.097) 24.979 8.709 ( -1.878 5.617 -3.349) 6.804 9.259 ( -4.336 3.137 2.925) 6.099 9.562 ( -11.903 -0.069 0.643) 11.920 10.185 ( -1.480 -2.188 6.527) 7.041 10.376 ( -11.957 -7.678 -8.740) 16.683 10.807 ( -4.525 14.489 -4.005) 15.698 11.181 ( 1.113 0.577 -3.363) 3.589 11.748 ( 14.990 1.773 10.511) 18.394 12.159 ( -1.570 2.005 1.935) 3.198 12.285 ( 3.112 4.434 -1.971) 5.765 12.565 ( 4.904 -1.705 -2.019) 5.570 13.696 ( 2.655 -2.688 0.405) 3.799 14.160 ( -4.067 1.625 1.555) 4.648 14.765 ( 9.177 5.069 -7.339) 12.797 16.027 ( 4.925 -14.802 7.759) 17.423 17.428 ( 10.654 -3.165 -12.657) 16.845 18.473 ( -0.980 -2.607 -2.406) 3.680 19.978 ( 0.672 11.667 14.549) 18.661 20.284 ( -14.138 0.243 -12.435) 18.830 21.870 ( -6.703 -7.095 4.322) 10.675 22.312 ( 4.261 6.760 2.471) 8.364 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.118 ( -11.670 -3.691 3.016) 12.606 4.979 ( 1.700 -21.198 -13.037) 24.944 5.582 ( -0.037 2.952 -6.677) 7.300 5.825 ( -1.327 -0.767 -9.530) 9.653 6.536 ( 0.835 7.060 6.202) 9.435 7.169 ( 10.921 12.379 -10.047) 19.325 7.658 ( 1.909 16.093 6.853) 17.595 7.936 ( 12.721 -18.023 7.028) 23.153 8.158 ( -5.624 -10.355 15.975) 19.851 8.677 ( 0.136 -4.188 -1.041) 4.317 9.194 ( -18.111 9.827 3.348) 20.876 9.396 ( -3.493 -3.056 4.613) 6.544 10.010 ( -12.246 -8.382 -7.815) 16.772 10.337 ( 9.078 7.282 8.097) 14.177 10.820 ( -5.747 11.468 -5.628) 14.008 11.182 ( 1.461 -0.700 -3.329) 3.703 11.973 ( 3.219 1.887 4.904) 6.162 12.094 ( -10.796 0.962 -0.110) 10.839 12.313 ( 7.794 -0.537 -0.770) 7.850 12.763 ( 7.748 6.761 3.157) 10.757 13.700 ( 1.544 -0.752 -2.420) 2.967 14.088 ( -5.667 0.176 -0.653) 5.708 14.935 ( 11.702 4.448 -11.380) 16.918 15.851 ( -12.471 -13.397 5.358) 19.071 17.658 ( 29.145 -6.434 -13.113) 32.600 18.437 ( -1.108 -0.462 1.839) 2.196 19.864 ( -26.708 -0.317 1.390) 26.746 20.221 ( 6.829 9.408 -0.339) 11.630 21.775 ( -0.702 -7.413 5.856) 9.473 22.478 ( 2.770 9.063 7.633) 12.168 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( -8.283 -9.969 -4.679) 13.780 4.674 ( 2.938 -30.767 -14.965) 34.339 5.529 ( -5.229 0.333 0.346) 5.251 5.764 ( -2.468 4.943 -7.756) 9.522 6.650 ( 0.998 8.628 3.848) 9.499 7.342 ( -0.526 22.671 -15.669) 27.564 7.808 ( 2.174 -27.103 12.875) 30.085 7.920 ( 9.014 1.882 3.745) 9.941 8.328 ( 14.344 0.714 6.091) 15.600 8.627 ( -2.376 -4.608 4.103) 6.611 9.005 ( -18.374 14.178 9.365) 25.027 9.394 ( 1.809 -1.437 2.552) 3.443 9.817 ( -0.370 -1.620 -3.030) 3.456 10.611 ( 5.727 5.871 8.748) 11.992 10.768 ( -5.914 6.954 -5.149) 10.481 11.192 ( 4.446 -1.332 -3.229) 5.654 11.842 ( -15.143 -3.622 -4.709) 16.267 12.017 ( -2.834 7.638 1.518) 8.287 12.510 ( 11.577 0.854 3.186) 12.038 12.873 ( -3.736 5.182 4.309) 7.706 13.732 ( 2.003 3.086 -1.673) 4.041 13.983 ( -4.457 -1.751 -1.762) 5.103 15.053 ( 6.616 -0.080 -12.109) 13.798 15.519 ( -14.684 -6.940 -0.615) 16.254 17.964 ( 27.308 -14.152 -21.683) 37.632 18.498 ( 3.883 3.038 14.004) 14.846 19.421 ( -26.234 1.389 0.939) 26.287 20.415 ( 6.137 7.042 0.896) 9.384 21.756 ( 1.940 -6.403 5.167) 8.453 22.663 ( 1.594 9.779 12.007) 15.567 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.578 ( -5.121 -20.510 -12.831) 24.729 4.329 ( 4.847 -38.336 -11.241) 40.243 5.489 ( -3.206 4.602 6.878) 8.875 5.737 ( -3.847 9.458 -6.584) 12.149 6.768 ( 0.830 7.296 2.543) 7.771 7.424 ( 3.006 12.979 -14.220) 19.486 7.636 ( -7.467 -13.119 5.287) 15.994 8.085 ( 14.154 -10.387 -2.301) 17.707 8.508 ( 4.634 -2.430 -0.356) 5.245 8.614 ( -2.351 5.094 8.684) 10.339 9.008 ( -8.706 15.068 16.249) 23.809 9.541 ( 12.787 5.661 4.471) 14.682 9.878 ( 7.909 1.654 -4.465) 9.232 10.576 ( -7.696 -5.350 0.936) 9.419 10.789 ( -3.637 5.236 3.309) 7.183 11.289 ( 6.935 1.212 0.689) 7.073 11.504 ( -15.610 -3.554 -6.564) 17.303 12.100 ( 1.497 10.359 1.874) 10.633 12.595 ( -5.543 -0.889 -0.245) 5.619 12.940 ( 4.525 6.891 8.652) 11.951 13.722 ( -7.779 3.785 -1.331) 8.752 13.935 ( 1.161 -1.208 -0.791) 1.852 14.944 ( -7.890 -7.105 -1.662) 10.747 15.327 ( -1.041 2.598 -16.006) 16.249 17.975 ( 11.697 -17.365 -24.781) 32.442 18.718 ( -1.940 -0.337 21.333) 21.423 19.148 ( -5.033 6.601 1.675) 8.468 20.546 ( 2.864 3.411 -0.216) 4.459 21.771 ( 3.750 -5.771 3.104) 7.550 22.858 ( 0.463 10.933 13.847) 17.649 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( 4.518 -27.025 -13.856) 30.704 4.000 ( 8.766 -39.882 -7.907) 41.593 5.565 ( -4.906 11.404 6.296) 13.920 5.771 ( 1.294 11.053 -2.317) 11.367 6.833 ( 1.327 -0.449 3.002) 3.313 7.341 ( -19.354 -3.008 3.018) 19.817 7.560 ( 6.337 11.435 -10.637) 16.854 8.174 ( 18.841 -24.107 -6.615) 31.303 8.483 ( -2.317 -0.085 -1.015) 2.531 8.721 ( 1.772 8.298 3.075) 9.026 9.160 ( -2.723 14.915 15.086) 21.389 9.861 ( 6.876 5.779 5.974) 10.787 10.026 ( 13.359 2.441 -6.006) 14.849 10.392 ( -6.591 -8.873 3.590) 11.622 10.735 ( -6.239 0.163 -0.294) 6.248 11.227 ( -9.552 3.457 -1.761) 10.310 11.436 ( 3.673 4.574 4.366) 7.313 12.232 ( 1.164 0.020 2.563) 2.815 12.462 ( -5.995 6.313 0.256) 8.710 13.157 ( 3.246 7.653 8.179) 11.662 13.584 ( -10.220 3.937 -0.992) 10.997 13.899 ( -3.332 -3.077 -1.390) 4.744 14.819 ( -0.653 -0.300 2.382) 2.488 15.238 ( -0.271 2.685 -20.954) 21.127 17.783 ( 3.438 -18.445 -21.837) 28.790 18.607 ( -17.075 -0.163 17.218) 24.250 19.396 ( 15.626 5.180 5.475) 17.349 20.568 ( -2.093 0.955 -0.088) 2.302 21.804 ( 5.364 -6.317 1.433) 8.410 23.041 ( -1.469 12.379 11.797) 17.163 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 21.060 -22.173 -7.035) 31.379 3.792 ( 15.407 -35.941 -6.954) 39.718 5.579 ( -9.728 13.088 2.729) 16.534 5.934 ( 1.342 12.451 2.460) 12.763 6.840 ( 0.752 -9.515 6.453) 11.521 7.024 ( -25.112 13.707 3.480) 28.820 7.702 ( 12.880 -3.655 -8.917) 16.086 8.137 ( 13.555 -24.236 -14.078) 31.134 8.480 ( 0.645 0.046 3.145) 3.211 8.862 ( 4.561 10.051 -2.374) 11.290 9.327 ( -2.105 9.948 7.659) 12.730 9.892 ( -5.131 -3.773 11.068) 12.769 10.153 ( 1.418 -5.135 -1.568) 5.554 10.279 ( -1.121 -0.240 -4.846) 4.979 10.642 ( -3.401 0.254 0.837) 3.512 11.199 ( -3.958 11.128 -3.752) 12.392 11.668 ( 10.190 11.086 11.402) 18.887 12.114 ( -5.354 -9.005 4.399) 11.363 12.592 ( 6.800 9.302 -0.862) 11.555 13.151 ( -15.364 4.292 3.118) 16.254 13.545 ( -2.703 8.075 1.225) 8.603 13.817 ( 1.913 -4.336 0.006) 4.739 14.845 ( -2.769 0.892 -6.671) 7.278 15.207 ( 7.383 7.676 -8.463) 13.603 17.488 ( -2.060 -20.091 -17.655) 26.826 18.463 ( -13.183 1.886 16.464) 21.176 19.675 ( 11.049 0.699 0.528) 11.083 20.528 ( -4.073 2.096 2.074) 5.028 21.835 ( 5.137 -7.740 1.354) 9.388 23.173 ( -4.010 12.650 6.708) 14.870 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 26.526 -18.770 -0.017) 32.495 4.001 ( 39.241 -2.870 4.711) 39.626 5.571 ( -13.449 2.905 2.857) 14.053 5.887 ( -12.215 -0.512 -11.632) 16.875 6.705 ( -13.017 2.174 5.038) 14.127 6.977 ( -15.986 16.464 11.322) 25.589 7.750 ( 18.058 -13.669 -4.119) 23.020 8.007 ( 30.229 -5.290 1.734) 30.737 8.401 ( 0.450 1.293 2.107) 2.513 9.021 ( -8.127 -4.181 -11.969) 15.059 9.460 ( -10.090 6.057 -3.074) 12.164 9.547 ( -0.047 -2.699 11.663) 11.972 9.925 ( 3.053 8.171 -17.650) 19.687 10.396 ( -2.199 2.022 8.051) 8.588 11.043 ( -0.568 5.997 8.804) 10.668 11.273 ( -3.807 -0.114 -16.079) 16.524 11.430 ( -2.405 -5.373 0.505) 5.909 12.205 ( -14.876 2.000 -1.553) 15.090 12.645 ( -1.106 -6.766 -2.271) 7.222 13.123 ( 0.402 10.430 -1.745) 10.583 13.704 ( -7.402 2.188 5.799) 9.654 13.916 ( -3.390 -3.915 -5.377) 7.465 14.682 ( 8.975 6.681 6.369) 12.874 15.169 ( -5.543 -20.524 -4.059) 21.644 17.264 ( 16.573 2.103 13.200) 21.292 18.856 ( -6.249 8.401 15.861) 19.005 19.446 ( 2.377 -2.478 -17.531) 17.864 20.580 ( -5.646 4.363 -2.171) 7.458 21.756 ( 5.805 -4.034 4.137) 8.191 23.250 ( -11.925 3.316 -4.842) 13.290 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( 25.836 -7.980 -0.536) 27.046 4.616 ( 35.007 -3.344 4.972) 35.516 5.423 ( -9.182 2.791 4.606) 10.645 5.605 ( -11.166 -3.936 -7.863) 14.213 6.515 ( -16.246 3.309 5.712) 17.536 6.928 ( -16.885 16.618 6.926) 24.683 7.709 ( 6.045 -11.943 -3.920) 13.948 8.412 ( -0.087 -0.712 3.310) 3.387 8.664 ( 4.169 -4.234 -9.444) 11.157 8.902 ( 39.273 -1.366 3.018) 39.412 9.233 ( -12.849 4.251 -13.758) 19.299 9.626 ( -1.587 0.482 14.038) 14.136 10.017 ( 3.186 16.380 -10.119) 19.515 10.462 ( 3.307 2.787 2.017) 4.772 10.942 ( -5.923 -15.169 -0.247) 16.286 11.073 ( -16.306 -3.775 -7.583) 18.375 11.378 ( -1.257 5.702 0.377) 5.851 12.027 ( -12.058 13.608 -0.227) 18.183 12.564 ( 0.509 -10.712 -1.358) 10.810 13.126 ( -6.838 4.498 -1.471) 8.316 13.571 ( -5.461 -6.653 -2.758) 9.039 13.914 ( 5.008 1.131 2.561) 5.738 14.857 ( -4.269 -8.648 6.230) 11.482 14.982 ( 10.802 -1.241 -1.565) 10.985 17.593 ( 11.230 -2.574 16.191) 19.872 18.826 ( -7.290 -4.341 1.665) 8.646 19.445 ( 3.746 9.911 -8.284) 13.450 20.531 ( -2.277 3.241 -3.514) 5.295 21.862 ( 5.425 1.728 3.724) 6.803 23.004 ( -15.345 -1.008 -5.577) 16.358 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.973 ( 23.116 1.288 -0.178) 23.153 5.108 ( 21.266 -4.469 4.330) 22.157 5.362 ( 2.378 -8.615 -3.301) 9.528 5.435 ( -2.762 3.758 6.485) 7.988 6.318 ( -12.743 3.124 0.577) 13.133 6.786 ( -16.031 5.400 1.531) 16.985 7.720 ( 5.683 -4.480 -1.801) 7.457 8.359 ( -7.386 2.330 -4.892) 9.161 8.513 ( -2.601 -2.917 2.608) 4.698 8.964 ( -13.925 7.902 -11.585) 19.763 9.581 ( -2.034 0.653 8.693) 8.951 9.846 ( 45.010 -0.060 4.759) 45.261 10.161 ( 0.828 12.474 -10.994) 16.648 10.534 ( -0.502 -2.832 -0.851) 2.999 10.636 ( -11.079 -2.389 -4.887) 12.343 10.748 ( -6.985 -10.201 6.202) 13.832 11.434 ( -1.422 7.294 0.025) 7.431 12.035 ( -5.912 16.347 0.860) 17.404 12.418 ( -4.785 -9.687 -1.889) 10.968 12.969 ( -9.716 -5.484 -2.707) 11.480 13.475 ( 2.266 -4.409 0.662) 5.002 14.047 ( 6.521 2.036 0.989) 6.903 14.724 ( -4.446 -3.992 3.136) 6.748 15.212 ( 15.093 -1.333 0.611) 15.164 17.742 ( -0.353 -6.039 13.997) 15.248 18.614 ( -4.498 -8.534 -10.440) 14.215 19.621 ( 4.931 12.608 2.388) 13.747 20.523 ( 0.761 1.094 -2.621) 2.940 22.004 ( 5.293 5.537 1.656) 7.837 22.669 ( -18.368 -3.628 -4.423) 19.238 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.341 ( 14.904 5.309 2.082) 15.958 5.094 ( -3.123 -7.768 -5.505) 10.020 5.476 ( -2.400 -1.661 8.059) 8.572 5.583 ( 24.790 -9.855 -2.217) 26.769 6.245 ( 1.163 8.257 -1.459) 8.465 6.564 ( -10.254 -2.989 -1.530) 10.789 7.756 ( -3.445 7.551 2.107) 8.563 8.176 ( -10.776 -2.242 -6.803) 12.939 8.530 ( -0.574 -3.070 13.759) 14.109 8.826 ( -7.462 15.742 -9.634) 19.907 9.442 ( -9.773 -10.591 3.804) 14.905 9.961 ( -12.238 0.571 -6.941) 14.082 10.377 ( -7.041 -10.898 3.355) 13.402 10.601 ( 15.585 10.225 -4.240) 19.116 10.626 ( 6.804 1.264 5.649) 8.934 10.803 ( 19.539 2.592 0.505) 19.716 11.455 ( -2.262 4.937 -0.556) 5.459 12.131 ( -1.769 13.273 1.975) 13.535 12.259 ( -4.331 -0.395 -0.521) 4.380 12.715 ( -8.983 -9.021 -3.664) 13.248 13.536 ( 5.979 -2.462 3.354) 7.285 14.158 ( 4.521 1.715 -1.067) 4.952 14.671 ( -2.385 2.289 -0.146) 3.309 15.450 ( 18.419 -6.876 -0.521) 19.668 17.620 ( -11.509 -7.160 2.828) 13.846 18.470 ( 1.311 -6.136 -4.451) 7.693 19.836 ( 5.375 10.569 2.639) 12.148 20.523 ( -0.275 -2.150 0.445) 2.212 22.117 ( 2.588 -3.569 -4.107) 6.025 22.343 ( -15.741 6.476 3.048) 17.292 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.483 ( -3.837 -2.814 3.262) 5.769 4.921 ( -0.034 -14.538 -9.927) 17.604 5.453 ( 4.510 1.175 -4.863) 6.736 5.796 ( 8.923 -3.679 -8.573) 12.909 6.439 ( 3.664 1.591 6.140) 7.325 6.529 ( 15.627 5.944 2.656) 16.929 7.750 ( -9.704 6.671 2.344) 12.007 7.955 ( -8.390 4.529 -2.665) 9.900 8.520 ( -8.589 -6.511 19.560) 22.332 8.805 ( -7.977 5.152 -6.450) 11.479 9.256 ( 1.783 -6.669 2.082) 7.210 9.783 ( -11.340 4.315 -0.743) 12.156 10.209 ( -2.443 -7.585 4.055) 8.941 10.450 ( -11.320 -6.470 -7.941) 15.267 10.889 ( 8.014 1.500 2.820) 8.627 11.187 ( 5.017 15.689 -7.895) 18.266 11.550 ( 12.428 1.707 5.796) 13.819 12.166 ( 0.751 -0.163 0.683) 1.028 12.388 ( 1.918 16.499 6.684) 17.904 12.495 ( -3.818 -4.758 -4.738) 7.724 13.621 ( 4.263 -1.877 1.125) 4.792 14.208 ( 0.597 1.242 -1.712) 2.198 14.683 ( 1.551 5.699 -6.088) 8.482 15.665 ( 19.045 -13.596 -1.456) 23.446 17.357 ( -9.392 -5.398 -4.343) 11.671 18.453 ( 1.413 -2.960 2.724) 4.263 20.015 ( 5.510 8.434 -4.992) 11.243 20.451 ( -7.283 -4.592 6.505) 10.791 21.906 ( -7.370 -12.477 -0.716) 14.509 22.414 ( -0.633 16.214 5.837) 17.244 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.251 ( -11.182 -13.537 -3.005) 17.814 4.659 ( -1.965 -23.070 -15.110) 27.648 5.598 ( 5.422 12.769 -5.423) 14.895 5.756 ( 0.132 -0.420 -9.541) 9.552 6.598 ( 6.671 2.057 7.949) 10.579 6.949 ( 18.880 7.792 4.468) 20.907 7.666 ( 1.365 -1.178 -0.372) 1.841 7.937 ( -8.158 6.515 2.092) 10.647 8.297 ( -14.128 -13.953 14.908) 24.830 8.680 ( -3.207 -0.526 1.155) 3.449 9.340 ( 4.057 0.099 5.053) 6.481 9.611 ( -13.608 5.697 -2.215) 14.918 10.113 ( -13.813 -6.813 -4.716) 16.108 10.272 ( 8.745 2.677 5.166) 10.504 10.964 ( -0.162 -1.163 0.796) 1.419 11.228 ( -7.800 17.216 -10.726) 21.732 11.855 ( 15.321 -1.947 6.734) 16.848 12.190 ( 1.421 -0.269 1.256) 1.915 12.312 ( -8.220 -0.574 0.944) 8.294 12.737 ( 9.483 16.831 2.993) 19.549 13.649 ( 1.868 -0.787 -2.459) 3.187 14.176 ( -4.176 0.790 -1.947) 4.675 14.757 ( 6.568 6.817 -12.274) 15.501 15.752 ( 9.190 -17.807 -0.849) 20.057 17.233 ( 5.500 -4.882 -7.495) 10.500 18.478 ( -0.021 0.324 6.445) 6.453 20.037 ( -3.744 -0.260 -16.933) 17.344 20.355 ( -6.592 2.491 16.409) 17.858 21.730 ( -1.546 -11.794 4.771) 12.816 22.611 ( 0.765 15.101 8.286) 17.242 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.884 ( -10.305 -18.776 -8.949) 23.212 4.249 ( -1.959 -30.914 -20.608) 37.205 5.682 ( -5.466 6.642 2.223) 8.885 5.794 ( 2.632 11.514 -6.541) 13.502 6.737 ( 0.940 5.162 6.241) 8.153 7.247 ( 14.364 -23.022 8.054) 28.306 7.531 ( -9.809 -1.148 -10.894) 14.704 7.939 ( 10.612 6.719 -1.895) 12.702 8.268 ( 0.842 4.776 12.148) 13.080 8.685 ( -0.482 2.925 5.857) 6.564 9.385 ( -1.727 -2.027 6.705) 7.214 9.465 ( -12.083 11.390 0.263) 16.607 9.860 ( -9.429 -1.699 1.396) 9.682 10.559 ( 14.068 6.966 4.493) 16.328 10.889 ( -5.373 -3.138 -1.407) 6.379 11.179 ( -6.224 10.236 -8.942) 14.949 11.959 ( -5.951 -4.605 -0.455) 7.538 12.167 ( -3.743 1.970 4.248) 5.994 12.344 ( 10.432 2.697 4.079) 11.521 12.996 ( 0.828 13.258 1.176) 13.336 13.683 ( 4.577 2.090 -1.617) 5.285 14.075 ( -6.904 0.603 -1.917) 7.190 14.860 ( 8.055 6.255 -16.769) 19.626 15.619 ( -5.415 -14.941 1.523) 15.965 17.321 ( 19.148 -10.190 -14.166) 25.907 18.555 ( 1.828 3.406 10.763) 11.436 19.748 ( -16.101 -3.401 -8.343) 18.450 20.451 ( 0.951 6.581 8.745) 10.986 21.667 ( 2.520 -11.383 6.296) 13.250 22.819 ( 0.888 12.968 11.855) 17.593 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.418 ( -11.858 -26.043 -15.017) 32.317 3.808 ( 2.979 -37.325 -19.191) 42.075 5.657 ( -5.723 2.301 8.166) 10.233 5.867 ( -2.630 9.828 -4.474) 11.114 6.731 ( 1.056 -21.094 2.706) 21.293 7.101 ( 9.837 -14.769 3.429) 18.073 7.688 ( 5.760 26.713 -11.384) 29.603 8.055 ( -4.204 5.623 -3.458) 7.826 8.422 ( 6.082 0.434 3.643) 7.103 8.785 ( -0.703 7.488 9.188) 11.874 9.381 ( -3.317 2.764 10.910) 11.733 9.470 ( -0.762 12.645 3.890) 13.252 9.785 ( -0.344 0.172 -0.499) 0.630 10.676 ( -8.086 -6.403 2.948) 10.727 10.892 ( 4.571 7.179 2.264) 8.807 11.146 ( 4.144 2.702 -7.765) 9.207 11.675 ( -15.783 -6.348 -4.180) 17.518 12.202 ( -0.617 2.530 6.467) 6.972 12.605 ( 8.943 7.533 4.043) 12.372 13.036 ( -5.200 7.332 0.679) 9.015 13.814 ( 3.973 5.617 0.895) 6.937 13.963 ( -5.643 1.804 -0.191) 5.927 14.905 ( 2.708 3.039 -15.581) 16.104 15.363 ( -10.238 -8.172 -1.512) 13.187 17.416 ( 17.985 -15.338 -19.825) 30.850 18.755 ( 8.088 4.105 15.525) 17.980 19.405 ( -17.405 -0.907 -3.263) 17.731 20.574 ( 1.085 5.797 5.208) 7.868 21.652 ( 4.053 -10.602 4.459) 12.195 23.028 ( 1.174 10.709 14.563) 18.115 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( -5.730 -32.882 -16.810) 37.372 3.414 ( 7.249 -41.792 -12.786) 44.302 5.655 ( 8.251 -13.818 3.474) 16.464 5.864 ( -4.004 7.885 -2.988) 9.335 6.613 ( 5.658 -15.668 6.611) 17.923 7.264 ( 7.807 5.166 1.093) 9.425 7.868 ( -13.882 17.123 -4.013) 22.406 7.971 ( -0.634 12.145 -10.560) 16.107 8.480 ( 1.515 0.087 -1.293) 1.994 8.849 ( -4.268 5.209 6.493) 9.355 9.461 ( -4.915 10.058 14.118) 18.018 9.753 ( 16.493 9.365 3.468) 19.281 9.814 ( 6.084 0.277 -6.500) 8.908 10.467 ( -9.158 -10.725 5.498) 15.137 10.866 ( -9.525 -0.474 1.311) 9.626 11.297 ( 6.947 -2.963 -7.567) 10.691 11.413 ( -3.126 3.852 3.877) 6.296 12.231 ( -0.420 -3.450 3.442) 4.891 12.705 ( -10.689 13.141 2.645) 17.145 13.138 ( 9.908 4.270 4.957) 11.874 13.807 ( -8.896 5.352 2.322) 10.639 13.972 ( -3.539 4.786 0.876) 6.016 14.835 ( -1.839 -0.818 -3.152) 3.740 15.163 ( -3.469 0.344 -15.385) 15.775 17.371 ( 9.967 -17.260 -19.245) 27.706 18.939 ( -9.029 -1.993 18.033) 20.266 19.250 ( 6.633 5.396 -2.681) 8.961 20.645 ( -2.069 4.553 4.393) 6.656 21.647 ( 5.144 -9.778 1.118) 11.105 23.231 ( 0.672 9.724 14.412) 17.398 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 15.234 -29.365 -9.358) 34.380 3.133 ( 14.551 -40.708 -7.745) 43.919 5.723 ( 28.162 -32.507 -5.852) 43.406 5.864 ( -8.318 14.246 0.692) 16.511 6.668 ( 1.170 0.344 11.318) 11.383 7.371 ( -2.228 4.821 -1.078) 5.419 7.660 ( -17.830 7.299 -0.644) 19.277 8.020 ( -4.982 15.077 -9.962) 18.745 8.506 ( 0.149 2.947 -2.376) 3.789 8.873 ( 1.296 4.683 0.643) 4.902 9.536 ( -5.932 9.064 7.383) 13.109 9.857 ( 5.164 -4.740 -6.393) 9.487 10.120 ( 10.238 4.960 9.867) 15.059 10.250 ( -6.359 -10.259 1.904) 12.219 10.712 ( -5.054 -2.829 2.036) 6.139 11.249 ( 0.855 2.173 -5.619) 6.085 11.659 ( 11.757 10.099 8.105) 17.490 12.123 ( -5.448 -11.009 0.519) 12.294 12.678 ( -6.238 10.884 2.559) 12.803 13.385 ( 4.112 6.581 8.844) 11.766 13.690 ( -11.782 5.546 -1.808) 13.147 13.879 ( -9.031 3.355 3.136) 10.132 14.853 ( -0.753 -0.240 -1.732) 1.904 15.088 ( 6.682 7.703 -15.322) 18.405 17.196 ( 2.548 -18.790 -15.195) 24.299 18.785 ( -13.587 0.106 13.329) 19.034 19.495 ( 12.224 1.739 -0.148) 12.348 20.657 ( -4.585 4.763 5.106) 8.353 21.652 ( 6.600 -9.745 -0.856) 11.801 23.388 ( -2.462 9.886 9.940) 14.234 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 30.535 -19.249 5.712) 36.545 3.267 ( 44.375 -9.180 3.608) 45.458 5.709 ( 37.654 -10.571 -3.162) 39.237 5.837 ( -14.729 2.859 0.270) 15.006 6.758 ( 0.211 2.724 -8.728) 9.145 7.233 ( -8.879 8.181 5.271) 13.174 7.740 ( -20.528 13.616 9.347) 26.347 7.862 ( -6.896 -10.738 1.282) 12.826 8.427 ( 0.374 2.189 3.523) 4.165 8.999 ( -4.367 -7.790 -9.478) 13.022 9.619 ( -0.118 1.766 11.462) 11.598 9.666 ( -9.650 3.928 -3.195) 10.898 9.850 ( 6.423 13.564 -9.821) 17.936 10.479 ( -1.868 -3.980 4.039) 5.970 10.973 ( 4.455 -11.332 -5.831) 13.501 11.220 ( 3.763 4.047 -3.187) 6.379 11.490 ( -4.651 4.239 -3.815) 7.359 12.259 ( 4.878 -3.897 0.206) 6.247 12.760 ( -18.364 -4.692 -1.828) 19.042 13.201 ( 2.728 14.987 -2.692) 15.469 13.879 ( -10.797 -3.705 -2.477) 11.681 13.964 ( -9.004 -0.632 -0.352) 9.033 14.708 ( 3.011 10.563 7.879) 13.518 15.045 ( -3.064 -17.198 -1.077) 17.502 17.079 ( 17.065 0.703 13.079) 21.512 19.080 ( -6.937 -2.787 8.672) 11.449 19.294 ( 4.464 5.594 -13.976) 15.702 20.707 ( -7.489 1.979 -2.551) 8.155 21.621 ( 9.431 -2.912 4.172) 10.715 23.438 ( -10.536 3.731 -7.305) 13.352 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 30.363 -7.170 4.734) 31.555 3.909 ( 42.322 -10.242 2.285) 43.603 5.618 ( -12.894 -0.526 0.295) 12.908 5.814 ( -11.344 7.546 -6.447) 15.072 6.832 ( -6.867 3.328 3.280) 8.306 7.372 ( 12.290 4.030 3.757) 13.469 7.443 ( -19.461 -6.019 -1.894) 20.459 8.010 ( 32.645 -2.656 10.785) 34.483 8.465 ( 0.660 2.418 0.562) 2.569 8.801 ( -7.074 -2.245 -5.671) 9.340 9.397 ( -12.413 0.710 -10.799) 16.468 9.777 ( -1.595 6.721 12.096) 13.929 10.060 ( 4.969 16.416 -6.166) 18.226 10.434 ( 1.119 -5.560 0.261) 5.677 10.819 ( -1.051 -12.584 -9.938) 16.070 11.182 ( -7.413 -6.155 1.483) 9.749 11.512 ( -2.926 12.993 -3.305) 13.723 12.273 ( -0.962 1.886 -1.470) 2.578 12.485 ( -7.851 -3.553 -2.010) 8.849 13.282 ( -6.080 7.581 -4.850) 10.861 13.603 ( -9.746 -9.206 -2.665) 13.669 13.865 ( 0.406 -3.096 1.919) 3.665 14.860 ( -1.955 -5.896 -0.560) 6.237 14.923 ( 2.402 6.186 11.157) 12.981 17.434 ( 16.021 -4.123 16.590) 23.429 18.852 ( -7.952 -12.275 -8.184) 16.760 19.452 ( 5.079 14.082 -2.524) 15.181 20.589 ( -5.271 -0.175 -2.849) 5.994 21.788 ( 8.271 1.621 3.512) 9.130 23.218 ( -13.985 1.539 -6.984) 15.708 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.554 ( 28.628 1.727 3.342) 28.874 4.483 ( 37.475 -10.561 1.813) 38.977 5.390 ( -11.652 -4.024 -4.137) 13.004 5.678 ( -10.021 8.852 3.877) 13.922 6.626 ( -19.609 1.164 0.921) 19.665 7.039 ( -14.879 -11.169 -6.816) 19.813 7.608 ( 7.646 8.477 5.887) 12.844 8.404 ( -0.317 -3.838 3.008) 4.887 8.631 ( -5.951 6.721 -0.625) 8.999 8.968 ( 52.121 1.548 5.363) 52.419 9.171 ( -10.539 6.766 -11.458) 16.975 9.795 ( -8.724 1.274 6.902) 11.197 10.197 ( 1.107 6.219 -5.980) 8.698 10.426 ( 5.683 -8.509 -1.112) 10.292 10.643 ( -2.789 -5.956 -1.085) 6.666 10.950 ( -15.116 -0.946 1.679) 15.238 11.536 ( -3.489 10.477 -6.578) 12.853 12.268 ( -1.207 1.373 -2.209) 2.867 12.383 ( -4.541 4.342 -0.439) 6.298 13.071 ( -12.149 -8.582 -3.356) 15.248 13.449 ( -2.578 -0.846 0.152) 2.718 13.931 ( 7.489 -0.603 -0.540) 7.532 14.784 ( -3.373 -2.386 5.003) 6.488 15.093 ( 4.164 5.520 4.866) 8.455 17.697 ( 9.438 -8.500 17.723) 21.805 18.537 ( -6.925 -11.218 -14.614) 19.681 19.657 ( 5.279 11.883 -0.124) 13.004 20.512 ( -1.411 -2.098 -0.388) 2.558 21.949 ( 6.685 2.772 0.406) 7.248 22.934 ( -17.063 1.435 -4.620) 17.735 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.051 ( 24.574 4.844 1.583) 25.096 4.948 ( 25.106 -9.784 2.066) 27.024 5.132 ( -4.328 -5.944 -7.544) 10.535 5.656 ( -8.033 0.788 8.971) 12.068 6.343 ( -8.345 1.715 -3.682) 9.281 6.684 ( -12.526 -7.983 -6.672) 16.283 7.870 ( 5.553 12.495 8.727) 16.222 8.283 ( -8.611 -1.870 -6.442) 10.916 8.625 ( -3.068 4.313 10.336) 11.612 9.043 ( -8.494 12.494 -9.871) 18.047 9.540 ( -10.600 -8.323 -3.437) 13.909 9.870 ( 33.016 -3.092 1.710) 33.205 10.206 ( 3.535 1.778 7.345) 8.343 10.379 ( 1.638 -12.456 3.805) 13.127 10.645 ( 4.360 -1.894 0.856) 4.830 10.762 ( -8.211 6.599 -4.271) 11.367 11.557 ( -2.341 14.204 -7.286) 16.135 12.196 ( -0.752 -6.039 -5.239) 8.030 12.415 ( -5.070 16.223 1.761) 17.088 12.780 ( -10.442 -9.286 0.712) 13.992 13.464 ( 3.068 -0.453 3.045) 4.346 14.050 ( 7.524 1.510 -4.159) 8.729 14.751 ( -3.313 1.507 2.915) 4.663 15.221 ( 5.500 0.508 1.604) 5.752 17.724 ( -6.220 -10.601 7.787) 14.550 18.328 ( 3.300 -8.468 -5.864) 10.816 19.839 ( 5.157 9.392 -2.577) 11.020 20.494 ( 1.141 -4.452 4.549) 6.466 22.025 ( 2.028 -2.937 -4.055) 5.401 22.683 ( -14.777 7.970 0.893) 16.813 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.347 ( 8.644 -8.839 -6.207) 13.834 4.839 ( -5.926 -9.110 -1.826) 11.020 5.324 ( 11.771 -5.526 -3.420) 13.446 5.584 ( 5.839 5.203 -0.293) 7.826 6.392 ( -3.675 -8.407 -0.924) 9.222 6.468 ( 8.327 10.156 3.118) 13.498 7.984 ( -13.081 2.242 -3.248) 13.663 8.137 ( -2.166 10.785 2.570) 11.297 8.694 ( -3.452 -1.886 17.396) 17.835 8.997 ( -8.972 13.291 -9.836) 18.812 9.191 ( -8.818 -15.588 2.746) 18.118 9.940 ( -4.267 -3.570 -6.232) 8.354 10.175 ( -2.623 -10.077 5.709) 11.875 10.533 ( -8.488 -2.397 -3.228) 9.392 10.690 ( 14.705 -0.974 2.953) 15.030 10.974 ( 26.607 6.029 2.280) 27.377 11.625 ( -4.830 18.972 -8.098) 21.185 12.118 ( 2.141 -5.435 -2.651) 6.415 12.501 ( -2.761 7.343 -3.795) 8.715 12.619 ( -5.515 6.741 9.929) 13.208 13.544 ( 4.425 -1.403 2.934) 5.492 14.146 ( 5.356 2.876 -7.006) 9.276 14.732 ( -2.933 4.707 -1.913) 5.867 15.303 ( 8.390 -6.483 -2.834) 10.975 17.465 ( -12.124 -8.888 -1.512) 15.109 18.373 ( 7.193 -5.849 6.716) 11.448 19.959 ( 3.980 6.493 -9.248) 11.980 20.503 ( 0.170 -6.003 10.609) 12.191 21.891 ( -5.948 -9.731 -3.690) 11.987 22.662 ( -5.026 15.829 5.345) 17.447 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( -4.264 -25.235 -16.644) 30.529 4.553 ( -13.147 -18.462 -4.039) 23.022 5.505 ( 12.837 9.098 -4.898) 16.479 5.770 ( 1.705 12.029 -5.173) 13.205 6.401 ( 13.637 -4.256 6.666) 15.765 6.852 ( 15.851 11.030 10.588) 22.023 7.727 ( -11.249 -0.296 -4.961) 12.298 8.141 ( -13.342 -3.213 0.059) 13.724 8.509 ( -15.402 -12.441 11.086) 22.691 8.805 ( -8.619 4.765 3.128) 10.333 9.245 ( 9.749 0.913 2.360) 10.072 9.765 ( -5.532 -2.790 -8.569) 10.574 10.171 ( 4.131 0.675 3.719) 5.599 10.332 ( -13.623 2.055 1.990) 13.920 10.838 ( 8.293 -6.575 0.492) 10.595 11.453 ( 14.810 10.485 -1.426) 18.202 11.626 ( -2.984 10.121 -8.350) 13.456 12.149 ( 5.277 -3.532 4.053) 7.533 12.424 ( -5.664 0.396 1.071) 5.778 12.831 ( 4.509 19.057 6.752) 20.715 13.594 ( 2.361 -1.575 -0.505) 2.883 14.189 ( 1.520 3.495 -8.452) 9.272 14.728 ( -1.199 8.199 -7.892) 11.443 15.346 ( 12.335 -14.116 -6.142) 19.727 17.210 ( -8.197 -6.922 -0.661) 10.749 18.490 ( 4.798 -1.686 10.265) 11.455 19.962 ( 0.279 0.837 -14.306) 14.333 20.515 ( -1.832 -2.765 13.457) 13.860 21.687 ( -4.770 -10.951 1.936) 12.101 22.819 ( -0.789 16.680 7.579) 18.338 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.651 ( -2.956 -30.018 -20.658) 36.559 4.038 ( -16.392 -25.966 -13.090) 33.381 5.706 ( 6.421 6.184 -4.795) 10.123 5.916 ( -0.548 16.575 0.500) 16.592 6.646 ( 10.204 -10.595 9.496) 17.509 7.131 ( -5.362 -3.851 13.086) 14.657 7.621 ( -4.421 3.738 -10.000) 11.555 7.745 ( 6.236 -6.542 -1.087) 9.103 8.416 ( -3.921 2.597 6.081) 7.687 8.783 ( -3.991 7.488 2.416) 8.822 9.387 ( 3.859 -2.109 6.702) 8.016 9.637 ( -4.202 1.453 -4.320) 6.199 10.143 ( -15.729 7.644 4.386) 18.030 10.376 ( 13.939 3.791 1.721) 14.548 10.849 ( 1.305 -9.926 2.691) 10.367 11.440 ( -14.368 17.494 -16.413) 27.962 11.844 ( 16.896 -4.552 3.960) 17.941 12.189 ( -2.596 -2.943 1.523) 4.210 12.379 ( -1.938 3.793 7.074) 8.257 13.129 ( 3.534 18.447 4.104) 19.226 13.611 ( 3.600 -0.318 -2.364) 4.319 14.160 ( -3.238 3.767 -7.227) 8.770 14.757 ( 1.749 10.938 -14.515) 18.259 15.370 ( 12.364 -17.937 -4.055) 22.160 17.055 ( -1.424 -7.702 -2.416) 8.197 18.620 ( 2.626 3.019 10.976) 11.683 19.817 ( -5.769 -3.895 -11.770) 13.674 20.568 ( -0.712 2.599 11.024) 11.349 21.561 ( -0.199 -12.453 6.031) 13.838 23.018 ( -0.213 14.835 10.356) 18.093 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( -1.630 -34.171 -19.884) 39.569 3.395 ( -14.546 -31.459 -21.476) 40.773 5.723 ( -13.694 -34.656 1.118) 37.280 5.870 ( 4.182 5.510 -3.127) 7.592 6.586 ( -1.183 -2.662 11.540) 11.902 7.111 ( -1.558 10.568 8.347) 13.557 7.736 ( 9.495 20.979 -11.138) 25.580 8.043 ( 12.947 9.652 -2.206) 16.299 8.408 ( -1.487 -1.141 4.359) 4.745 8.854 ( 2.739 6.936 2.578) 7.890 9.420 ( -1.125 -3.551 8.808) 9.563 9.609 ( -0.612 3.837 0.326) 3.900 9.998 ( -14.161 8.726 3.465) 16.990 10.692 ( 14.206 3.306 -0.105) 14.586 10.734 ( -0.836 -10.848 3.394) 11.397 11.251 ( -12.154 8.339 -13.000) 19.653 11.871 ( -14.027 -3.017 0.057) 14.348 12.152 ( 7.920 -6.183 -0.052) 10.047 12.559 ( 9.150 7.944 11.412) 16.645 13.262 ( -8.668 15.648 -1.344) 17.939 13.737 ( 10.337 2.751 1.206) 10.765 14.089 ( -5.461 4.765 -2.721) 7.741 14.807 ( 2.932 11.358 -18.867) 22.216 15.334 ( 3.122 -15.838 0.629) 16.155 16.977 ( 6.459 -10.748 -8.711) 15.268 18.777 ( 4.111 5.582 10.489) 12.573 19.587 ( -10.477 -3.879 -6.115) 12.736 20.662 ( 0.302 4.884 8.413) 9.733 21.502 ( 3.145 -13.758 6.513) 15.543 23.210 ( -0.293 11.455 13.249) 17.517 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -14.641 -36.103 -18.146) 42.978 2.823 ( 4.040 -40.616 -20.568) 45.706 5.032 ( 3.323 -69.545 -5.404) 69.833 6.019 ( -0.097 15.009 1.092) 15.049 6.734 ( -3.323 18.094 14.712) 23.556 7.293 ( 2.948 12.975 6.595) 14.850 8.047 ( 6.470 19.868 -11.374) 23.790 8.164 ( -5.981 15.609 -4.835) 17.401 8.428 ( 3.068 0.069 -1.237) 3.308 8.979 ( -0.282 1.795 6.331) 6.586 9.462 ( 7.382 -3.487 7.059) 10.793 9.702 ( 6.048 5.436 1.162) 8.214 9.882 ( -11.050 9.466 -0.907) 14.578 10.521 ( -7.377 -13.161 4.450) 15.730 10.991 ( 7.275 -7.496 -10.613) 14.891 11.067 ( -2.286 6.263 3.945) 7.746 11.584 ( -12.905 0.175 -0.904) 12.938 12.186 ( 2.426 -7.184 1.081) 7.660 12.918 ( 14.624 9.833 10.473) 20.500 13.168 ( -15.930 11.937 -2.654) 20.083 13.931 ( 4.631 5.327 1.565) 7.230 14.084 ( -2.017 7.785 4.102) 9.028 14.820 ( -0.009 8.194 -16.568) 18.484 15.175 ( -6.461 -9.855 -0.649) 11.802 16.943 ( 10.261 -13.015 -13.159) 21.162 19.000 ( 8.980 4.515 10.679) 14.665 19.338 ( -12.679 -1.735 -2.682) 13.075 20.756 ( -0.882 5.332 7.100) 8.922 21.468 ( 4.527 -13.284 3.480) 14.459 23.390 ( 0.568 8.079 15.208) 17.230 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 1.876 -37.177 -12.234) 39.183 2.459 ( 11.973 -43.979 -8.924) 46.445 4.585 ( 31.075 -71.220 -11.382) 78.533 6.134 ( -5.652 16.307 1.028) 17.289 6.964 ( -5.148 22.802 18.108) 29.569 7.471 ( -0.784 9.585 5.508) 11.082 7.979 ( -12.673 10.313 -10.182) 19.252 8.293 ( -7.885 22.418 -6.003) 24.510 8.487 ( 3.873 4.044 -5.070) 7.554 8.930 ( -4.874 -1.670 4.104) 6.587 9.648 ( 10.602 -2.921 -0.925) 11.036 9.751 ( -6.762 2.505 2.239) 7.551 9.963 ( 12.907 8.887 -7.068) 17.191 10.318 ( -6.639 -13.222 12.361) 19.280 10.755 ( -6.581 -11.731 0.784) 13.474 11.206 ( 2.152 2.106 -1.702) 3.459 11.581 ( 8.594 5.169 2.580) 10.355 12.103 ( -3.397 -8.963 0.029) 9.585 12.977 ( -14.397 6.558 -1.877) 15.931 13.323 ( 13.451 12.964 9.950) 21.166 13.981 ( -10.080 6.473 4.348) 12.744 14.117 ( -8.441 7.303 4.409) 12.001 14.825 ( 4.064 1.076 -1.201) 4.372 14.993 ( -2.469 2.093 -15.073) 15.416 16.879 ( 6.249 -14.308 -12.124) 19.767 19.070 ( -13.123 -1.642 10.283) 16.753 19.311 ( 12.234 3.518 -1.324) 12.798 20.812 ( -3.454 5.484 6.564) 9.225 21.439 ( 5.650 -11.528 -1.316) 12.906 23.556 ( -0.141 6.996 12.721) 14.518 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -0.000 0.000 44.515) 44.515 1.632 ( -0.000 0.000 44.515) 44.515 2.924 ( -0.000 0.000 77.636) 77.636 6.646 ( 0.000 -0.000 -3.528) 3.528 7.250 ( 0.000 -0.000 -24.120) 24.120 7.250 ( 0.000 0.000 -24.120) 24.120 8.575 ( -0.000 0.000 0.975) 0.975 8.575 ( 0.000 0.000 0.975) 0.975 8.605 ( 0.000 -0.000 -15.659) 15.659 9.153 ( -0.000 -0.000 -1.415) 1.415 9.153 ( 0.000 -0.000 -1.415) 1.415 9.954 ( -0.000 -0.000 13.683) 13.683 9.954 ( -0.000 -0.000 13.683) 13.683 10.698 ( -0.000 0.000 11.309) 11.309 10.698 ( -0.000 0.000 11.309) 11.309 10.988 ( 0.000 -0.000 -4.772) 4.772 11.189 ( 0.000 -0.000 -12.209) 12.209 12.740 ( 0.000 -0.000 -4.561) 4.561 12.769 ( 0.000 0.000 -11.739) 11.739 12.769 ( 0.000 0.000 -11.739) 11.739 14.316 ( -0.000 0.000 1.858) 1.858 14.316 ( 0.000 -0.000 1.858) 1.858 14.716 ( -0.000 0.000 9.721) 9.721 16.614 ( -0.000 0.000 11.898) 11.898 16.614 ( -0.000 0.000 11.898) 11.898 18.118 ( 0.000 -0.000 -3.585) 3.585 19.098 ( 0.000 -0.000 -8.972) 8.972 19.098 ( 0.000 -0.000 -8.972) 8.972 21.153 ( -0.000 0.000 3.171) 3.171 23.000 ( -0.000 0.000 0.158) 0.158 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -1.113 21.474 38.208) 43.843 2.367 ( 28.388 7.012 40.632) 50.060 3.672 ( 29.795 12.559 65.503) 73.049 6.491 ( -10.000 -6.474 -4.101) 12.599 6.928 ( -9.564 -2.513 -26.657) 28.432 7.263 ( 5.241 5.729 -22.070) 23.396 8.257 ( -8.673 -11.396 -9.923) 17.423 8.573 ( 3.884 -12.770 -2.070) 13.507 8.782 ( -1.564 11.120 -2.206) 11.445 9.149 ( 3.262 -1.477 3.787) 5.212 9.295 ( 5.643 11.469 -2.788) 13.082 9.640 ( -19.878 -4.768 3.587) 20.755 10.093 ( 2.062 -29.237 17.825) 34.304 10.473 ( -5.045 12.523 10.341) 17.006 10.746 ( -12.476 5.555 -3.720) 14.155 11.197 ( 10.961 8.325 -4.793) 14.574 11.417 ( 18.581 5.383 -1.216) 19.383 12.286 ( -21.593 1.541 -0.156) 21.649 12.648 ( 7.214 -17.705 -7.787) 20.643 13.178 ( 11.542 19.199 -18.475) 29.037 14.174 ( -8.767 -8.167 1.935) 12.137 14.320 ( -8.391 3.394 2.565) 9.408 14.781 ( 3.305 0.451 6.862) 7.629 16.339 ( -24.182 1.381 25.115) 34.892 16.683 ( 11.033 -15.799 13.351) 23.443 18.686 ( 1.380 12.674 -20.578) 24.207 19.151 ( 34.937 11.066 -20.997) 42.237 19.234 ( 17.545 6.061 -10.325) 21.240 21.185 ( 1.129 0.700 3.479) 3.724 23.079 ( 6.208 4.040 -4.804) 8.828 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 7.029 28.483 28.036) 40.579 3.083 ( 20.730 8.608 39.584) 45.505 4.811 ( 45.781 18.663 41.520) 64.561 6.213 ( -10.097 -8.599 -3.860) 13.813 6.605 ( -10.490 1.584 -22.549) 24.920 7.203 ( -3.221 1.268 -15.838) 16.211 7.980 ( -3.243 -13.337 -11.156) 17.687 8.481 ( -1.399 -11.874 3.808) 12.548 8.672 ( -9.609 -7.336 0.161) 12.090 9.159 ( -7.985 -0.132 8.845) 11.916 9.218 ( -11.450 -0.960 -3.897) 12.133 9.642 ( 8.453 17.092 -9.727) 21.406 9.989 ( 5.143 -19.649 14.672) 25.056 10.509 ( -11.528 0.981 -11.602) 16.385 10.673 ( 4.749 8.132 11.042) 14.513 11.301 ( -2.415 5.697 -11.741) 13.272 11.735 ( 11.665 4.424 3.178) 12.874 12.036 ( -12.759 7.071 -2.586) 14.815 12.606 ( 8.170 -11.576 1.239) 14.223 13.304 ( -0.404 9.698 -14.597) 17.530 13.942 ( -9.780 -9.086 3.330) 13.758 14.184 ( -13.541 6.534 2.758) 15.286 14.902 ( 4.514 2.548 3.688) 6.361 16.207 ( -15.208 2.004 26.333) 30.475 16.843 ( 16.642 -16.074 14.607) 27.362 18.459 ( -11.597 -0.399 -18.111) 21.509 19.391 ( 8.353 10.541 -6.260) 14.835 19.794 ( 32.745 5.969 -30.251) 44.978 21.256 ( 4.333 1.349 3.410) 5.677 23.159 ( 3.707 2.802 -9.272) 10.372 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 11.153 24.960 18.811) 33.185 3.717 ( 17.767 11.499 35.530) 41.355 5.742 ( 21.919 8.636 1.990) 23.642 5.987 ( -11.121 -3.993 1.065) 11.864 6.434 ( 1.492 6.918 -6.684) 9.735 7.063 ( 2.475 -7.817 -4.827) 9.514 7.711 ( -10.092 -10.350 0.796) 14.478 8.333 ( -4.321 -2.537 -5.613) 7.525 8.525 ( 7.145 -19.991 5.595) 21.955 8.997 ( -12.736 -1.162 4.888) 13.692 9.113 ( -4.394 8.589 -6.075) 11.401 9.792 ( -6.163 16.091 -7.454) 18.774 10.038 ( 8.887 -13.584 11.749) 20.038 10.320 ( -1.010 0.304 -12.651) 12.695 10.884 ( 7.344 1.950 9.032) 11.804 11.128 ( -11.119 0.382 -13.670) 17.625 11.794 ( -3.977 6.816 -12.951) 15.165 11.999 ( -4.580 5.699 3.698) 8.193 12.721 ( 10.802 -5.685 9.070) 15.208 13.200 ( -6.954 -0.380 -8.399) 10.911 13.735 ( -9.898 -4.674 1.721) 11.080 14.088 ( -9.004 9.631 3.587) 13.664 14.993 ( 1.445 1.376 2.651) 3.318 16.137 ( -13.772 0.328 23.415) 27.167 17.098 ( 21.043 -16.084 17.023) 31.485 18.154 ( -10.892 -1.278 -16.118) 19.495 19.592 ( 6.487 12.664 -6.162) 15.505 20.037 ( 15.869 -0.567 -23.978) 28.759 21.400 ( 8.887 1.767 2.356) 9.362 23.138 ( -0.494 0.174 -10.264) 10.277 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.416 ( 12.490 19.370 11.114) 25.587 4.316 ( 16.756 13.073 29.613) 36.450 5.655 ( -22.126 -5.011 -3.565) 22.965 5.900 ( 7.385 0.699 -6.808) 10.068 6.405 ( -9.156 -1.762 -5.367) 10.758 6.890 ( -11.004 -18.978 -3.944) 22.289 7.923 ( 26.884 11.211 15.506) 32.998 8.267 ( 1.599 1.807 -11.578) 11.826 8.523 ( 5.374 -13.726 5.951) 15.897 8.833 ( -3.872 -4.597 4.503) 7.510 9.154 ( 0.736 11.760 -1.556) 11.885 9.690 ( -12.266 12.287 -10.150) 20.111 10.137 ( 9.196 -11.398 8.856) 17.115 10.309 ( 2.357 4.174 -8.618) 9.862 10.787 ( -12.335 -9.348 -16.067) 22.309 11.077 ( 3.530 3.313 12.326) 13.243 11.692 ( -4.769 1.976 -14.850) 15.721 11.934 ( -10.755 11.131 -0.941) 15.507 12.887 ( 8.292 -6.783 6.494) 12.527 13.052 ( -3.672 -2.475 -2.377) 5.026 13.546 ( -9.171 -2.560 1.295) 9.610 14.090 ( -5.734 9.913 2.893) 11.811 14.998 ( -1.579 -3.629 2.648) 4.762 16.025 ( -15.199 1.163 16.298) 22.316 17.404 ( 20.381 -18.088 18.403) 32.882 17.929 ( -5.961 2.520 -7.501) 9.907 19.737 ( 1.340 12.222 -10.118) 15.923 20.102 ( 10.151 -1.824 -15.378) 18.516 21.593 ( 10.071 2.428 1.574) 10.478 23.045 ( -2.112 -1.252 -9.594) 9.903 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.819 ( 10.028 13.896 5.623) 18.036 4.855 ( 15.085 10.642 21.903) 28.645 5.168 ( -25.870 -8.918 -1.008) 27.383 6.035 ( 8.505 3.643 2.766) 9.656 6.075 ( -15.111 -16.442 -2.290) 22.448 6.626 ( -2.523 -0.957 -5.259) 5.911 8.103 ( -5.395 -0.298 -14.499) 15.473 8.471 ( 0.553 -2.092 2.149) 3.050 8.543 ( 13.549 2.446 7.761) 15.805 8.935 ( 14.578 0.958 -2.422) 14.809 9.358 ( 6.646 9.086 9.268) 14.582 9.578 ( -3.383 8.496 -12.292) 15.321 10.169 ( 1.518 -9.923 0.872) 10.077 10.301 ( -18.138 -6.147 -8.544) 20.971 10.411 ( 3.420 0.184 -0.684) 3.492 11.211 ( 6.192 -7.042 6.398) 11.352 11.522 ( -8.276 6.624 -4.963) 11.705 11.931 ( -4.675 18.623 -7.174) 20.497 12.897 ( 2.351 -8.062 -3.480) 9.090 13.006 ( -0.933 -3.871 2.010) 4.460 13.436 ( -2.197 -2.915 4.306) 5.644 14.094 ( -5.788 8.334 0.091) 10.147 14.906 ( -3.488 -10.447 3.677) 11.611 15.864 ( -16.635 6.186 7.330) 19.202 17.509 ( 3.831 -19.072 10.082) 21.911 18.039 ( 11.873 4.859 12.372) 17.822 19.728 ( -3.242 6.882 -15.647) 17.398 20.195 ( 9.036 1.845 -7.166) 11.679 21.777 ( 6.987 3.503 1.510) 7.960 22.960 ( 0.589 -0.916 -8.505) 8.575 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.998 ( -5.207 4.141 2.299) 7.039 4.636 ( -23.663 -15.961 4.972) 28.972 5.265 ( 9.590 7.738 12.026) 17.218 5.754 ( -2.534 -9.017 -1.887) 9.554 6.310 ( 14.153 7.841 9.173) 18.599 6.634 ( 0.086 8.381 -2.974) 8.894 7.935 ( -2.967 -0.515 -9.046) 9.534 8.455 ( -1.528 0.138 1.724) 2.308 8.732 ( 8.046 -7.429 0.282) 10.955 9.146 ( 2.583 7.335 -3.947) 8.721 9.197 ( -20.294 -8.816 -13.905) 26.133 9.681 ( 2.176 3.867 -5.127) 6.780 9.877 ( -8.101 -1.338 -2.533) 8.592 10.182 ( 7.625 -3.927 4.335) 9.610 10.614 ( 11.478 1.923 6.334) 13.249 11.203 ( 5.481 -10.137 -5.582) 12.804 11.568 ( -3.884 14.979 8.786) 17.794 12.022 ( -0.618 20.197 -8.884) 22.074 12.803 ( -0.214 -10.897 -4.679) 11.861 12.956 ( 0.328 -2.815 -1.617) 3.263 13.470 ( 5.179 -2.661 6.373) 8.633 14.057 ( -6.110 6.450 -2.647) 9.271 14.751 ( -3.723 -13.900 5.785) 15.509 15.698 ( -16.357 10.946 1.298) 19.725 17.406 ( -1.604 -17.458 11.329) 20.873 18.403 ( 14.888 2.215 16.827) 22.577 19.611 ( -4.991 4.317 -16.066) 17.368 20.329 ( 7.826 3.636 -3.782) 9.422 21.883 ( 0.414 3.064 1.376) 3.384 22.969 ( 6.811 1.025 -7.974) 10.537 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( -27.485 -3.459 3.044) 27.869 4.120 ( -22.719 -25.883 11.231) 36.225 5.527 ( 9.434 8.117 4.637) 13.281 5.785 ( 8.573 3.841 -8.366) 12.579 6.681 ( 8.668 9.111 3.739) 13.120 6.826 ( 15.248 13.153 9.875) 22.428 7.906 ( 1.373 1.158 -2.223) 2.857 8.149 ( -38.944 -34.674 -5.203) 52.402 8.459 ( -4.567 3.316 0.717) 5.689 8.924 ( 6.657 -0.482 -9.398) 11.527 9.335 ( 8.638 7.465 -4.783) 12.378 9.658 ( -2.379 1.772 -3.708) 4.748 9.785 ( -3.014 4.056 -9.739) 10.972 10.395 ( 8.353 4.270 11.938) 15.183 10.829 ( 13.058 -7.417 3.969) 15.534 11.171 ( 2.347 -3.119 -8.717) 9.551 11.661 ( -7.938 12.321 6.998) 16.241 12.196 ( 5.108 16.267 -7.169) 18.496 12.666 ( 0.531 -7.526 -5.037) 9.071 12.959 ( 3.872 -3.215 -0.613) 5.070 13.621 ( 9.812 0.137 5.485) 11.242 13.996 ( -5.145 4.872 -3.126) 7.745 14.624 ( -1.042 -11.517 8.370) 14.275 15.544 ( -15.545 11.251 -1.225) 19.228 17.270 ( -3.703 -17.426 13.103) 22.115 18.729 ( 13.024 -1.383 11.775) 17.612 19.475 ( -6.676 6.129 -12.369) 15.334 20.476 ( 7.660 4.233 -1.990) 8.975 21.858 ( -5.634 -0.169 0.468) 5.656 23.097 ( 11.380 3.411 -8.704) 14.727 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( -35.426 -4.856 10.143) 37.168 3.502 ( -28.865 -29.240 13.662) 43.299 5.766 ( 8.993 6.033 0.680) 10.850 5.879 ( -6.157 2.928 -9.636) 11.804 6.762 ( -12.776 -7.335 -0.861) 14.757 7.140 ( -2.434 -2.933 0.295) 3.823 7.504 ( 20.045 2.455 8.255) 21.817 7.989 ( 2.704 4.748 2.697) 6.094 8.439 ( -1.652 0.231 1.427) 2.195 8.969 ( 5.859 -0.321 -10.978) 12.448 9.527 ( 9.748 3.337 -1.888) 10.475 9.581 ( -0.970 -3.120 -7.423) 8.111 9.773 ( -1.962 10.044 -2.499) 10.534 10.604 ( -0.524 7.525 9.780) 12.351 10.957 ( 12.660 -13.683 2.707) 18.837 11.085 ( -4.094 0.935 -8.419) 9.408 11.635 ( -10.783 11.310 0.994) 15.658 12.287 ( -0.859 -1.124 -2.497) 2.870 12.724 ( 12.588 5.281 -8.976) 16.338 13.011 ( 3.456 0.553 3.466) 4.926 13.824 ( 9.724 0.808 0.486) 9.769 13.974 ( -0.011 5.080 -1.086) 5.195 14.629 ( 4.175 -4.995 12.603) 14.185 15.374 ( -15.039 7.587 -2.001) 16.963 17.112 ( -5.295 -16.748 13.460) 22.129 18.931 ( 11.512 -6.402 0.115) 13.173 19.375 ( -8.659 10.546 -4.177) 14.271 20.634 ( 7.327 4.727 -1.791) 8.902 21.709 ( -8.624 -5.199 -1.358) 10.161 23.270 ( 11.291 4.445 -11.095) 16.442 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 20.042 15.103 38.277) 45.770 2.589 ( -10.984 28.375 38.243) 48.870 4.029 ( -3.228 20.821 66.399) 69.662 6.469 ( -1.564 -12.243 -5.799) 13.637 6.750 ( 4.469 -12.151 -24.434) 27.652 7.085 ( -0.565 4.428 -20.812) 21.286 8.284 ( -0.845 -6.471 -15.162) 16.507 8.460 ( -10.009 -3.696 -3.175) 11.131 8.896 ( 5.848 20.897 -7.132) 22.842 9.136 ( -2.424 -0.613 4.264) 4.943 9.266 ( 5.769 3.888 3.464) 7.772 9.770 ( 10.577 -18.702 11.142) 24.203 10.032 ( -24.694 -18.035 8.666) 31.783 10.508 ( 3.239 -17.046 -0.868) 17.372 10.895 ( 27.351 11.718 9.488) 31.232 10.991 ( -13.605 5.828 -5.880) 15.926 11.510 ( -2.753 25.160 -3.284) 25.523 12.250 ( 10.915 -18.642 -0.616) 21.611 12.676 ( -21.435 3.011 -11.882) 24.693 13.026 ( 14.191 15.387 -12.652) 24.458 14.220 ( -3.915 -7.777 1.153) 8.782 14.336 ( 8.025 -4.009 2.474) 9.306 14.790 ( -0.302 -1.873 6.454) 6.727 16.325 ( 5.740 -27.056 21.925) 35.294 16.934 ( -12.212 10.615 17.655) 23.948 18.671 ( 16.948 22.454 -18.905) 33.895 18.905 ( -16.421 16.120 -19.453) 30.132 19.189 ( -0.980 16.434 -10.266) 19.402 21.212 ( 0.045 2.273 3.578) 4.239 23.034 ( 0.295 2.165 -3.040) 3.744 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -2.450 36.568 28.071) 46.165 3.064 ( 21.045 15.712 36.597) 45.045 4.740 ( 19.532 22.677 52.579) 60.501 6.189 ( -6.025 -13.848 -12.957) 19.899 6.582 ( -1.737 -6.756 -12.671) 14.464 7.035 ( 5.389 0.204 -22.315) 22.958 7.986 ( -13.902 -6.010 -7.784) 17.028 8.350 ( 1.399 -6.871 -3.945) 8.046 8.886 ( -12.823 -0.487 0.885) 12.862 9.239 ( 2.044 -0.340 4.628) 5.070 9.421 ( -8.635 -0.224 2.217) 8.918 9.548 ( -0.419 -2.083 -2.722) 3.453 9.824 ( 6.809 -10.954 9.021) 15.739 10.437 ( 8.116 -12.908 -8.967) 17.689 10.784 ( -12.343 1.772 -0.583) 12.483 11.354 ( 5.708 9.989 -2.315) 11.736 11.707 ( 5.870 17.729 3.664) 19.032 12.300 ( 3.130 -8.322 -9.752) 13.197 12.321 ( -8.087 -0.282 3.242) 8.717 13.262 ( 6.796 9.481 -12.841) 17.349 14.026 ( -8.409 -9.237 2.694) 12.779 14.411 ( -1.115 2.437 1.035) 2.873 14.850 ( 4.097 0.173 5.736) 7.051 16.316 ( 7.583 -27.594 24.793) 37.863 16.885 ( -15.886 13.278 16.687) 26.592 18.567 ( -12.151 -1.720 -17.512) 21.384 19.221 ( 26.436 21.920 -26.200) 43.195 19.336 ( 6.256 16.189 -8.980) 19.541 21.266 ( 0.674 3.177 3.793) 4.993 23.056 ( 3.655 -0.695 -6.136) 7.176 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( -3.644 30.711 21.860) 37.873 3.778 ( 18.066 17.056 34.212) 42.282 5.537 ( 17.592 14.536 11.601) 25.600 6.013 ( 5.778 -4.338 2.792) 7.746 6.412 ( -3.335 -2.986 -5.383) 7.001 6.950 ( 1.003 -5.315 -17.284) 18.110 7.706 ( -7.347 -5.437 -1.397) 9.246 8.304 ( 2.846 -6.282 -3.093) 7.559 8.519 ( -20.446 -15.014 5.937) 26.052 9.180 ( -5.599 -9.827 5.059) 12.390 9.218 ( -7.019 9.035 -6.827) 13.323 9.727 ( 13.539 -7.551 6.207) 16.699 9.978 ( 3.725 14.032 -2.842) 14.793 10.328 ( -3.714 -5.182 -10.721) 12.473 10.663 ( 3.557 -10.779 -1.258) 11.420 11.343 ( -8.201 9.910 -9.782) 16.160 11.909 ( -8.087 8.116 -2.604) 11.750 12.134 ( -1.030 7.992 1.532) 8.203 12.457 ( 14.786 -10.961 5.133) 19.108 13.243 ( -5.023 -1.033 -9.205) 10.537 13.858 ( -7.047 -4.404 4.589) 9.493 14.371 ( -9.284 9.717 -0.291) 13.443 14.956 ( 4.136 -1.462 4.155) 6.042 16.335 ( 4.706 -24.854 28.515) 38.118 16.911 ( -3.676 8.764 12.471) 15.680 18.254 ( -12.114 1.346 -16.539) 20.545 19.565 ( 8.072 15.840 -8.386) 19.656 19.600 ( 20.547 7.906 -23.111) 31.919 21.351 ( 3.224 3.699 3.961) 6.306 23.042 ( 2.438 -3.993 -8.626) 9.813 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.616 ( 0.292 24.968 14.714) 28.983 4.389 ( 13.410 15.537 30.776) 36.992 5.695 ( 9.065 2.128 -14.523) 17.252 5.937 ( -17.455 -3.388 0.377) 17.785 6.488 ( -0.928 -2.934 -0.817) 3.184 6.780 ( -2.157 -10.916 -7.221) 13.264 7.783 ( 15.462 5.427 15.239) 22.377 8.150 ( -2.846 -6.900 -7.201) 10.372 8.329 ( 3.735 -7.374 4.287) 9.311 8.981 ( -8.979 -10.099 3.610) 13.987 9.234 ( 0.195 11.290 -4.889) 12.304 9.904 ( 9.703 -8.039 6.429) 14.145 9.950 ( -12.858 7.800 -7.300) 16.717 10.292 ( 3.597 8.550 -5.204) 10.636 10.600 ( 5.539 -13.468 -12.347) 19.093 11.237 ( -8.296 4.453 -0.322) 9.421 11.773 ( -8.477 7.598 -8.315) 14.097 12.193 ( -7.291 9.437 2.564) 12.198 12.621 ( 14.324 -13.865 4.039) 20.340 13.055 ( -5.074 -7.049 -4.942) 9.993 13.718 ( -10.430 -1.243 3.880) 11.197 14.324 ( -8.351 11.423 -0.448) 14.157 14.972 ( -0.067 -6.584 1.909) 6.855 16.309 ( -5.186 -15.275 26.278) 30.834 17.082 ( 10.580 -1.286 10.332) 14.844 18.034 ( -7.694 5.247 -8.433) 12.564 19.708 ( 6.891 5.655 -20.257) 22.131 19.861 ( 10.815 12.466 -6.344) 17.681 21.498 ( 7.115 4.426 3.686) 9.154 22.961 ( 0.624 -6.223 -9.564) 11.427 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.933 ( 2.555 21.041 8.784) 22.943 4.869 ( 10.503 8.808 22.795) 26.599 5.525 ( -24.257 -4.226 -0.732) 24.633 5.878 ( 13.436 5.402 -5.700) 15.563 6.177 ( -16.876 -16.507 -1.340) 23.645 6.611 ( -2.433 -4.815 -2.091) 5.785 8.013 ( 4.352 0.959 -14.857) 15.511 8.351 ( 13.382 -9.312 4.025) 16.793 8.415 ( 11.542 7.424 8.802) 16.304 8.801 ( -0.869 -3.852 3.198) 5.082 9.365 ( 7.200 5.566 0.439) 9.111 9.719 ( -12.157 7.119 -7.089) 15.771 10.054 ( 6.342 -3.141 2.869) 7.637 10.376 ( -3.415 0.523 -12.262) 12.739 10.428 ( -3.085 1.713 -4.281) 5.548 11.138 ( -3.988 -7.093 2.876) 8.631 11.705 ( -6.004 11.293 -1.830) 12.920 12.160 ( -7.302 12.533 -1.540) 14.586 12.669 ( 8.351 -16.106 -3.215) 18.425 12.925 ( 1.033 -10.555 -0.572) 10.621 13.559 ( -9.741 -0.263 4.235) 10.625 14.288 ( -7.667 9.188 -1.800) 12.101 14.865 ( -2.728 -11.502 1.122) 11.874 16.194 ( -11.508 -7.318 18.312) 22.832 17.271 ( 9.831 -9.341 6.341) 14.971 18.053 ( 3.035 9.309 6.330) 11.660 19.691 ( 1.728 1.759 -17.774) 17.944 20.098 ( 6.229 13.574 -3.740) 15.396 21.703 ( 8.686 5.941 3.069) 10.962 22.848 ( 1.249 -7.154 -9.842) 12.231 ======================= Grid point 339 (184/294) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.160 ( -2.476 13.530 5.216) 14.710 4.954 ( -21.324 -9.260 4.117) 23.609 5.288 ( 2.353 4.510 15.288) 16.112 5.708 ( -9.888 -15.161 -4.102) 18.559 6.233 ( 13.956 11.216 6.465) 19.036 6.625 ( 4.941 2.840 -0.084) 5.700 7.932 ( -3.433 0.287 -13.698) 14.125 8.365 ( 4.216 -10.592 -4.519) 12.263 8.563 ( 6.796 -5.372 5.028) 10.016 9.019 ( 10.729 11.121 -5.728) 16.480 9.463 ( -4.068 0.012 -14.858) 15.405 9.653 ( -4.255 7.594 10.742) 13.826 10.010 ( -13.007 -5.710 -10.525) 17.679 10.109 ( 0.549 0.693 4.167) 4.259 10.535 ( 4.015 5.393 0.583) 6.749 11.051 ( 1.749 -6.541 2.066) 7.079 11.781 ( -1.169 13.227 4.960) 14.175 12.194 ( -3.335 15.742 -4.726) 16.771 12.580 ( 4.971 -17.565 -6.689) 19.442 12.852 ( 3.619 -11.201 -1.716) 11.895 13.476 ( -3.229 -0.284 6.282) 7.069 14.219 ( -7.747 6.551 -3.414) 10.705 14.706 ( -3.113 -12.920 3.197) 13.669 16.026 ( -12.923 -3.526 10.955) 17.304 17.298 ( 2.466 -11.245 4.940) 12.528 18.326 ( 10.366 7.442 12.031) 17.538 19.618 ( -1.216 2.243 -11.677) 11.953 20.278 ( 3.717 11.544 -2.967) 12.486 21.897 ( 4.342 6.449 1.750) 7.969 22.778 ( 6.356 -6.183 -10.221) 13.532 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.090 ( -17.656 -0.569 5.518) 18.507 4.450 ( -29.525 -12.464 10.787) 33.815 5.475 ( 6.932 3.060 6.305) 9.857 5.603 ( 8.713 -1.812 -3.290) 9.488 6.646 ( 13.423 14.244 6.752) 20.704 6.769 ( 8.477 4.438 3.670) 10.248 7.835 ( 1.633 -2.165 -4.195) 4.995 8.254 ( -3.902 -16.653 -8.121) 18.934 8.589 ( -4.839 -2.609 -5.406) 7.710 8.907 ( -20.375 -2.862 -12.008) 23.823 9.297 ( 1.354 10.939 -0.551) 11.037 9.645 ( -0.839 0.220 -8.112) 8.159 9.888 ( -4.056 7.077 -2.374) 8.496 10.317 ( 13.714 3.704 11.904) 18.534 10.628 ( 5.917 -1.128 -0.336) 6.033 11.083 ( 2.776 -1.416 1.974) 3.689 11.912 ( -2.803 10.561 5.748) 12.346 12.261 ( -1.710 12.687 -7.382) 14.778 12.459 ( 5.484 -14.036 -6.595) 16.449 12.847 ( 7.364 -5.320 -1.297) 9.177 13.522 ( 4.297 -0.638 6.338) 7.684 14.126 ( -7.070 3.983 -2.571) 8.512 14.584 ( -1.048 -10.264 6.730) 12.318 15.835 ( -12.453 -3.568 5.888) 14.230 17.229 ( -1.644 -11.121 6.460) 12.966 18.595 ( 9.098 2.575 4.592) 10.511 19.579 ( -2.861 5.593 -1.801) 6.535 20.418 ( 4.098 8.599 -2.516) 9.853 21.940 ( -4.268 1.357 -1.557) 4.742 22.846 ( 13.321 -1.006 -10.273) 16.853 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.705 ( -26.576 -10.413 10.941) 30.568 3.902 ( -32.906 -9.987 16.012) 37.933 5.667 ( 8.499 0.794 4.171) 9.501 5.806 ( 13.388 8.759 -7.171) 17.532 6.828 ( 3.121 4.344 -3.604) 6.450 7.209 ( 22.883 8.748 12.149) 27.345 7.506 ( -45.723 -18.752 -8.526) 50.149 7.900 ( 8.152 -4.188 2.122) 9.408 8.451 ( -0.635 0.615 -7.651) 7.702 8.785 ( 4.320 -1.905 -5.293) 7.093 9.461 ( 5.318 8.803 0.269) 10.288 9.551 ( -2.768 -0.640 -10.996) 11.357 9.908 ( -2.961 12.723 -3.389) 13.495 10.587 ( 13.683 -9.617 2.746) 16.949 10.778 ( 2.342 10.163 9.238) 13.933 11.091 ( 0.502 -0.067 -0.059) 0.510 11.930 ( -8.479 9.050 2.428) 12.637 12.245 ( 0.052 -5.371 -3.135) 6.219 12.472 ( 9.142 -1.033 -10.030) 13.611 12.989 ( 9.168 5.937 1.908) 11.088 13.652 ( 8.487 -2.205 2.040) 9.003 14.051 ( -4.069 2.580 1.116) 4.946 14.591 ( 4.240 -3.968 11.777) 13.131 15.611 ( -12.138 -6.456 2.244) 13.930 17.117 ( -4.294 -10.781 7.742) 13.950 18.725 ( 6.878 -0.765 -5.488) 8.832 19.594 ( -5.641 8.012 5.787) 11.380 20.555 ( 5.955 5.894 -2.738) 8.814 21.781 ( -8.987 -5.722 -5.490) 11.986 23.033 ( 13.963 4.025 -11.094) 18.282 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 1.852 14.521 34.564) 37.536 3.250 ( -11.123 20.316 37.604) 44.164 4.861 ( -22.436 29.537 46.830) 59.740 6.280 ( 4.054 -13.868 -4.973) 15.281 6.400 ( 5.267 -9.481 -21.457) 24.042 7.068 ( -4.153 2.006 -14.272) 14.999 8.090 ( 6.980 0.350 -14.000) 15.648 8.511 ( -4.177 -12.162 -4.706) 13.694 8.902 ( 11.359 19.811 -5.558) 23.503 9.199 ( 4.835 -8.124 9.798) 13.615 9.282 ( -4.436 1.953 -0.835) 4.919 9.430 ( 9.608 -11.880 4.245) 15.858 10.255 ( 2.577 -16.768 -3.073) 17.241 10.306 ( -18.883 -14.750 5.516) 24.588 10.661 ( 14.706 12.109 3.157) 19.310 11.204 ( -2.608 7.236 -5.187) 9.277 11.745 ( -1.678 12.044 -1.175) 12.217 11.936 ( 3.756 -12.378 -0.080) 12.936 12.828 ( 7.278 9.911 -5.874) 13.628 12.985 ( -12.859 -1.789 -8.744) 15.653 14.101 ( 11.856 -9.075 2.250) 15.099 14.160 ( 3.570 -7.592 3.248) 8.996 14.824 ( -3.587 -2.768 2.075) 4.983 16.219 ( -0.372 -17.210 23.109) 28.816 17.269 ( 0.992 20.014 20.781) 28.869 18.422 ( 10.242 -1.625 -17.370) 20.230 19.146 ( -11.279 3.880 -12.440) 17.234 19.560 ( -19.351 32.708 -26.437) 46.294 21.275 ( -1.478 4.798 3.371) 6.047 23.047 ( -3.433 -1.142 -5.605) 6.671 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( 23.868 25.541 31.122) 46.804 3.512 ( -8.290 23.303 30.610) 39.354 5.181 ( -4.338 26.573 43.387) 51.063 6.023 ( -3.735 -13.781 -18.090) 23.046 6.384 ( 7.293 -8.779 -5.441) 12.644 6.936 ( -4.502 2.813 -14.635) 15.568 8.050 ( -3.000 -0.884 -10.078) 10.552 8.282 ( -4.544 -8.390 -6.338) 11.454 9.047 ( -6.279 -3.587 0.772) 7.272 9.186 ( 2.107 -5.516 3.128) 6.682 9.378 ( 5.864 1.914 4.729) 7.773 9.582 ( 17.318 -5.229 0.625) 18.101 9.788 ( -25.207 -11.668 3.515) 27.998 10.122 ( 5.885 -11.099 -9.697) 15.870 10.877 ( 0.243 0.003 -9.237) 9.240 11.379 ( 7.189 11.805 10.536) 17.380 11.808 ( -2.625 9.888 -3.965) 10.972 11.960 ( 13.859 -9.146 0.245) 16.607 12.625 ( -18.083 2.959 -7.339) 19.739 13.110 ( 12.985 5.901 -5.854) 15.417 14.067 ( -5.454 -9.093 1.214) 10.672 14.248 ( 13.431 -8.525 4.147) 16.440 14.846 ( 3.982 3.078 1.879) 5.372 16.165 ( -1.704 -18.941 21.643) 28.811 17.433 ( -15.977 16.166 22.012) 31.641 18.472 ( 6.065 -5.639 -14.786) 16.948 19.055 ( 4.518 14.317 -18.267) 23.645 19.474 ( -8.514 28.155 -21.014) 36.150 21.328 ( -0.750 5.304 3.395) 6.342 22.966 ( 0.322 -4.252 -4.882) 6.482 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( -1.265 16.192 23.500) 28.566 3.839 ( 17.135 28.917 25.481) 42.179 5.665 ( -4.574 20.022 11.179) 23.383 5.806 ( 13.228 -3.436 0.239) 13.669 6.376 ( 2.758 -8.171 1.623) 8.776 6.791 ( -2.466 -1.281 -15.410) 15.659 7.862 ( -12.702 -0.558 -1.156) 12.766 8.174 ( 2.871 -4.886 -6.126) 8.345 8.740 ( -19.266 -19.397 6.308) 28.057 9.068 ( -0.648 -18.035 -3.971) 18.478 9.433 ( -11.133 3.584 -1.362) 11.775 9.529 ( 8.334 -1.476 8.542) 12.025 9.886 ( 19.427 -0.726 -2.067) 19.550 10.141 ( 5.718 4.980 -10.096) 12.626 10.690 ( -10.998 -6.761 -6.037) 14.251 11.485 ( -6.661 10.600 -7.602) 14.647 11.934 ( 12.873 -7.410 0.734) 14.872 12.156 ( 9.040 5.763 4.540) 11.643 12.343 ( -12.681 0.355 -1.948) 12.835 13.228 ( 0.312 -0.900 -6.718) 6.785 13.921 ( -3.356 -5.589 3.658) 7.475 14.400 ( 9.456 -5.505 2.458) 11.214 14.966 ( 1.232 8.282 -0.147) 8.375 16.090 ( 3.966 -24.755 21.039) 32.729 17.389 ( -20.953 14.521 21.081) 33.080 18.326 ( -5.995 -1.437 -13.715) 15.037 19.274 ( 15.084 14.644 -22.764) 30.987 19.571 ( 4.268 20.098 -11.189) 23.395 21.391 ( 0.078 4.965 3.768) 6.234 22.902 ( 2.024 -7.217 -6.099) 9.664 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.944 ( -2.424 16.326 12.431) 20.663 4.514 ( 14.214 19.817 27.572) 36.810 5.564 ( -1.970 6.171 -15.488) 16.788 6.131 ( -4.198 1.937 1.859) 4.983 6.386 ( 5.581 -3.711 6.531) 9.358 6.691 ( 1.608 -2.478 -9.585) 10.029 7.738 ( -0.010 0.825 8.887) 8.926 8.125 ( -3.939 -9.652 -5.790) 11.924 8.315 ( -8.137 -9.274 7.687) 14.536 8.865 ( 2.040 -19.217 -5.291) 20.036 9.369 ( -5.294 8.395 -0.952) 9.970 9.729 ( 10.013 0.049 7.575) 12.556 10.089 ( 9.170 -8.468 -5.046) 13.463 10.255 ( -0.503 16.058 -4.759) 16.756 10.400 ( -4.308 -7.373 -8.232) 11.861 11.392 ( -8.623 9.000 -10.803) 16.494 11.943 ( -3.905 0.282 -2.721) 4.768 12.249 ( 6.374 -10.968 -0.588) 12.700 12.376 ( 3.960 5.288 8.986) 11.153 13.049 ( -8.452 -8.813 -6.818) 13.985 13.862 ( -4.763 -2.459 4.965) 7.306 14.467 ( 1.648 -0.254 -0.675) 1.799 14.980 ( -6.201 3.760 -2.761) 7.759 16.117 ( 13.095 -27.692 22.470) 37.990 17.313 ( -16.647 12.275 16.525) 26.474 18.160 ( -6.688 5.993 -9.157) 12.825 19.462 ( 10.833 8.107 -22.881) 26.582 19.844 ( 10.024 18.896 -3.717) 21.711 21.484 ( 3.043 4.944 4.213) 7.173 22.812 ( 1.428 -9.386 -7.343) 12.003 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.150 ( 1.890 15.678 6.760) 17.178 4.970 ( 4.044 9.050 23.941) 25.912 5.630 ( 10.666 12.384 -16.070) 22.921 5.899 ( -17.662 -2.898 3.366) 18.212 6.284 ( -12.765 -12.752 0.758) 18.060 6.605 ( -3.014 -2.659 -2.712) 4.848 7.865 ( 2.078 -4.114 -10.609) 11.567 8.030 ( 16.511 -5.412 6.912) 18.700 8.358 ( 5.491 -4.055 4.650) 8.260 8.763 ( 4.383 -3.969 3.670) 6.960 9.349 ( -3.857 3.145 -2.614) 5.622 9.903 ( 5.428 -4.343 -1.563) 7.125 9.943 ( -7.116 2.871 -2.766) 8.156 10.308 ( 5.451 -1.513 -3.724) 6.773 10.473 ( 2.851 14.229 -3.159) 14.852 11.233 ( -10.835 2.006 -6.455) 12.770 11.900 ( -4.754 8.924 -0.000) 10.111 12.235 ( 7.234 -15.166 -2.204) 16.947 12.456 ( -3.471 2.521 3.169) 5.333 12.797 ( -2.558 -13.740 -4.863) 14.798 13.747 ( -9.481 -2.144 4.924) 10.896 14.452 ( -3.627 2.753 -2.721) 5.305 14.833 ( -7.002 -4.569 -3.792) 9.180 16.187 ( 7.981 -26.506 22.206) 35.488 17.281 ( -8.637 9.938 6.006) 14.472 18.154 ( -0.231 10.181 1.924) 10.364 19.529 ( 6.292 2.956 -17.309) 18.653 20.156 ( 6.400 19.389 -1.708) 20.489 21.648 ( 7.484 6.274 4.038) 10.568 22.685 ( 0.716 -10.799 -8.338) 13.663 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.355 ( 0.817 13.114 3.905) 13.707 5.109 ( -3.813 -1.172 7.678) 8.652 5.539 ( -17.651 -0.598 9.799) 20.197 5.758 ( -13.333 -11.543 -4.081) 18.102 6.120 ( 13.272 10.627 1.714) 17.088 6.577 ( 2.273 -1.444 3.088) 4.097 7.838 ( 4.878 2.284 -16.655) 17.505 8.144 ( 2.844 -16.317 -3.097) 16.850 8.406 ( 10.812 -5.917 4.010) 12.961 9.020 ( 6.045 16.241 6.407) 18.476 9.276 ( 3.824 -5.480 -9.260) 11.419 9.858 ( 0.028 4.294 4.365) 6.123 9.981 ( 2.847 -1.001 -9.053) 9.543 10.286 ( -10.521 6.348 0.175) 12.289 10.611 ( -2.801 11.011 -0.834) 11.392 11.043 ( -5.281 -3.457 2.117) 6.658 11.938 ( -2.649 8.214 2.712) 9.046 12.200 ( 9.587 -15.279 -4.460) 18.581 12.399 ( -4.730 6.055 -4.790) 9.054 12.651 ( 2.684 -15.020 -2.123) 15.405 13.608 ( -7.939 -1.891 6.273) 10.293 14.371 ( -6.537 2.698 -4.165) 8.207 14.661 ( -4.127 -7.644 -1.255) 8.777 16.117 ( -1.692 -23.399 18.046) 29.598 17.270 ( -4.030 5.912 -1.310) 7.274 18.339 ( 5.602 9.746 7.466) 13.495 19.549 ( 3.989 1.450 -8.133) 9.174 20.379 ( 0.601 16.872 -1.186) 16.924 21.883 ( 8.238 9.027 2.809) 12.539 22.546 ( 2.968 -11.695 -9.670) 15.463 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.390 ( -11.775 2.411 6.100) 13.478 4.866 ( -22.524 -4.507 3.983) 23.313 5.458 ( -2.929 -5.879 1.703) 6.785 5.493 ( 0.994 -0.511 8.881) 8.951 6.546 ( 18.770 12.789 1.363) 22.754 6.662 ( 7.005 -3.488 3.665) 8.641 7.788 ( -3.174 -3.016 -7.186) 8.415 8.021 ( 6.671 -7.125 -11.173) 14.836 8.563 ( 5.186 0.103 4.213) 6.682 9.049 ( -7.845 2.924 -16.629) 18.617 9.369 ( 7.430 2.989 -3.542) 8.757 9.770 ( -19.669 0.144 -6.167) 20.614 9.988 ( 0.563 7.007 7.136) 10.017 10.274 ( 1.677 7.982 5.460) 9.815 10.596 ( 0.389 4.765 1.168) 4.921 11.060 ( 1.980 -1.122 5.034) 5.524 11.969 ( 3.423 -6.128 0.504) 7.038 12.203 ( 5.708 -5.534 -3.735) 8.784 12.401 ( -4.399 11.018 -4.740) 12.775 12.593 ( 10.822 -10.167 -4.070) 15.397 13.549 ( -2.359 -1.271 7.444) 7.911 14.252 ( -6.722 0.359 -2.882) 7.322 14.553 ( -1.487 -5.332 2.769) 6.189 15.928 ( -6.129 -21.068 12.414) 25.210 17.236 ( -3.972 2.576 -1.811) 5.068 18.538 ( 4.995 5.742 0.872) 7.660 19.621 ( 3.838 2.685 4.687) 6.626 20.492 ( -2.020 12.414 -2.118) 12.754 22.015 ( -3.608 3.402 -1.705) 5.244 22.529 ( 14.233 -4.400 -9.216) 17.518 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.094 ( -24.254 -9.775 13.604) 29.477 4.451 ( -28.083 -0.053 7.656) 29.108 5.539 ( 11.985 -1.707 2.798) 12.425 5.625 ( 8.536 3.544 3.212) 9.784 6.714 ( 6.682 -6.719 -4.429) 10.460 6.978 ( 19.305 5.029 1.560) 20.011 7.669 ( -0.594 -8.335 -1.104) 8.428 8.007 ( -8.872 4.554 -5.875) 11.575 8.513 ( -15.839 3.932 -8.512) 18.406 8.757 ( -5.148 0.182 -7.252) 8.895 9.456 ( 4.092 -2.589 -5.822) 7.572 9.556 ( -5.134 6.271 2.422) 8.458 10.068 ( -2.969 11.478 -0.197) 11.858 10.339 ( 4.613 -5.055 -2.041) 7.141 10.886 ( 8.000 14.322 10.952) 19.725 11.073 ( 2.762 -1.019 4.254) 5.174 11.937 ( 5.035 -14.294 -2.130) 15.304 12.221 ( -0.408 2.034 -1.836) 2.770 12.371 ( -1.429 3.450 -5.305) 6.488 12.797 ( 17.639 3.586 -3.698) 18.376 13.580 ( 1.641 -0.665 5.194) 5.487 14.143 ( -4.362 -1.201 1.927) 4.918 14.566 ( 3.001 -0.325 7.801) 8.365 15.673 ( -7.944 -20.531 7.451) 23.240 17.165 ( -5.504 0.102 0.027) 5.505 18.616 ( 3.076 1.931 -7.019) 7.903 19.754 ( 0.592 3.662 12.742) 13.271 20.544 ( -0.104 7.550 -4.791) 8.942 21.841 ( -9.917 -5.840 -6.817) 13.376 22.764 ( 16.633 5.403 -8.437) 19.417 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -11.280 14.094 25.811) 31.497 3.805 ( -11.021 13.176 35.942) 39.836 5.619 ( -14.095 12.081 4.731) 19.157 6.047 ( 6.670 -10.654 -0.658) 12.587 6.266 ( -7.046 1.688 -2.660) 7.718 7.110 ( -4.774 9.739 -5.366) 12.101 7.892 ( 11.079 -0.879 -4.811) 12.111 8.343 ( 4.914 -10.602 -4.731) 12.607 8.837 ( 5.938 5.724 -8.828) 12.081 9.026 ( 11.228 -10.269 3.693) 15.657 9.119 ( 8.346 1.295 10.399) 13.397 9.480 ( -7.298 -8.985 -4.198) 12.313 10.119 ( -5.551 -8.095 -7.301) 12.233 10.399 ( 3.980 8.689 0.938) 9.603 10.722 ( -10.913 -7.084 9.294) 15.989 11.148 ( 7.311 5.461 -13.678) 16.442 11.617 ( 3.581 -10.315 -5.761) 12.346 12.005 ( -0.634 4.486 2.925) 5.392 12.820 ( -1.163 2.956 5.964) 6.757 13.076 ( -5.950 -3.186 -8.971) 11.226 13.835 ( 10.563 -8.725 1.073) 13.742 14.052 ( 4.420 -5.166 6.588) 9.467 14.877 ( -6.809 -5.535 -0.726) 8.805 16.220 ( 2.053 -12.038 23.174) 26.195 17.569 ( 4.791 26.636 21.609) 34.632 18.125 ( 9.204 -3.591 -16.511) 19.242 19.287 ( -13.695 -1.694 -12.343) 18.515 19.909 ( -10.665 20.295 -24.165) 33.310 21.401 ( -4.141 8.156 2.177) 9.403 23.034 ( -2.666 -4.315 -7.944) 9.425 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 11.201 26.821 27.166) 39.785 3.992 ( -7.196 13.367 30.465) 34.037 5.547 ( -1.493 -1.307 -2.871) 3.490 6.029 ( -4.256 6.026 4.271) 8.524 6.221 ( -1.234 0.524 0.492) 1.428 7.034 ( -10.069 7.231 -6.151) 13.839 8.005 ( 4.003 3.788 -2.758) 6.163 8.211 ( -2.432 -8.884 -8.753) 12.707 8.889 ( 10.157 -16.924 0.351) 19.742 9.099 ( 7.749 -14.746 2.333) 16.820 9.250 ( 5.255 -12.859 5.235) 14.845 9.447 ( -1.627 13.177 -2.823) 13.574 9.925 ( 0.974 -1.991 -6.776) 7.129 10.151 ( -23.398 -6.300 1.964) 24.311 10.773 ( 5.483 2.882 -8.014) 10.129 11.290 ( 12.356 0.949 -3.851) 12.977 11.703 ( 13.154 -2.593 6.104) 14.731 11.999 ( -8.934 6.881 -0.338) 11.282 12.827 ( -8.777 0.395 -10.725) 13.864 12.931 ( 6.451 -2.833 4.672) 8.454 13.962 ( 11.669 -6.968 3.752) 14.100 14.070 ( -1.009 -7.064 2.777) 7.657 14.795 ( 3.253 -0.599 0.505) 3.346 16.228 ( -5.229 -11.285 22.030) 25.299 17.946 ( -5.989 22.285 24.560) 33.700 18.178 ( 11.681 -1.867 -17.262) 20.926 19.024 ( -4.545 0.453 -15.089) 15.765 19.779 ( -12.194 23.122 -24.259) 35.663 21.437 ( -2.761 8.013 2.296) 8.781 22.896 ( -1.825 -7.335 -5.475) 9.333 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.811 ( 17.393 21.014 21.940) 35.007 4.168 ( -3.403 15.208 19.711) 25.128 5.556 ( 9.271 -3.716 -4.718) 11.046 6.090 ( -9.260 22.229 3.332) 24.310 6.220 ( 5.189 -6.419 2.141) 8.527 6.852 ( -11.730 1.725 -6.466) 13.505 8.038 ( -6.472 -2.666 -4.652) 8.404 8.072 ( -0.090 3.375 1.942) 3.895 8.736 ( -1.614 -26.204 -3.657) 26.507 8.947 ( -9.093 -19.484 4.906) 22.055 9.375 ( 19.851 -9.989 3.298) 22.465 9.454 ( 2.730 -5.226 -0.622) 5.929 9.766 ( -15.731 3.018 3.697) 16.439 10.109 ( 7.884 18.538 -8.828) 21.994 10.707 ( -4.697 -4.125 -12.402) 13.888 11.482 ( 15.181 -6.495 -1.775) 16.607 11.801 ( -10.373 3.754 -0.877) 11.066 12.062 ( 12.800 4.817 7.666) 15.679 12.547 ( -13.691 -2.327 -8.015) 16.034 13.113 ( 9.602 -2.832 1.150) 10.077 13.925 ( -3.635 -7.265 1.159) 8.206 14.151 ( 12.481 -6.504 4.702) 14.839 14.947 ( 9.340 6.337 -0.879) 11.321 16.088 ( -10.631 -15.018 18.291) 25.945 18.020 ( -20.062 13.932 17.906) 30.285 18.253 ( 4.414 1.716 -4.869) 6.792 19.037 ( 12.548 7.516 -18.968) 23.953 19.696 ( -5.639 21.642 -19.983) 29.991 21.483 ( -2.051 6.728 2.837) 7.584 22.776 ( 0.159 -9.228 -4.092) 10.096 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.082 ( 1.536 1.322 5.172) 5.555 4.629 ( 13.802 24.219 20.809) 34.786 5.641 ( -1.507 5.968 -3.459) 7.061 6.174 ( 0.799 10.528 -4.655) 11.539 6.315 ( 7.147 -2.594 3.926) 8.557 6.654 ( -7.148 1.533 -5.511) 9.154 7.866 ( -9.667 -1.953 0.785) 9.894 8.053 ( -2.828 -10.530 0.539) 10.917 8.441 ( -11.335 -12.484 7.747) 18.556 8.619 ( -0.400 -17.054 -4.449) 17.629 9.441 ( 1.097 -3.262 3.288) 4.760 9.674 ( 20.028 -12.584 1.882) 23.728 9.743 ( 2.008 12.862 5.130) 13.992 10.334 ( 4.089 9.709 -8.509) 13.542 10.441 ( -10.085 0.074 -11.731) 15.470 11.588 ( -5.082 7.124 -5.754) 10.473 11.697 ( 8.536 -10.136 -2.792) 13.542 12.251 ( -5.362 -4.942 -4.406) 8.520 12.373 ( 5.161 3.420 8.185) 10.262 13.082 ( -6.788 -7.540 -2.340) 10.412 13.871 ( 1.608 -5.332 3.108) 6.378 14.300 ( 10.228 -7.068 2.526) 12.687 15.120 ( 0.624 11.197 -6.697) 13.062 15.877 ( -2.981 -21.558 16.488) 27.304 17.888 ( -21.823 9.173 21.152) 31.746 18.256 ( -4.811 7.440 -4.688) 10.024 19.224 ( 13.065 8.917 -23.273) 28.140 19.826 ( 8.674 19.220 -8.617) 22.780 21.538 ( -0.474 5.548 3.814) 6.749 22.668 ( 0.455 -10.043 -3.645) 10.694 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.173 ( 7.102 2.131 -0.050) 7.415 5.142 ( 8.292 13.962 21.411) 26.872 5.593 ( -4.383 11.072 -11.471) 16.534 6.119 ( -9.580 0.363 -5.212) 10.912 6.373 ( -3.995 -3.552 6.451) 8.378 6.601 ( -0.644 0.679 -6.106) 6.177 7.761 ( -1.989 -3.429 -3.211) 5.102 7.831 ( 1.532 -13.681 2.669) 14.023 8.223 ( -1.187 -15.416 1.406) 15.526 8.697 ( 8.942 7.519 7.874) 14.088 9.452 ( -2.403 -0.522 4.925) 5.505 9.749 ( 5.052 -4.513 -4.571) 8.172 9.972 ( -0.056 -1.946 -3.882) 4.343 10.199 ( 6.845 1.975 2.408) 7.520 10.545 ( 3.082 16.142 -6.635) 17.723 11.436 ( -13.588 7.092 -8.712) 17.630 11.785 ( 13.995 -13.959 -0.929) 19.789 12.088 ( -3.753 -2.643 -5.696) 7.316 12.529 ( 3.691 -1.027 8.420) 9.251 12.794 ( -14.366 -8.371 -3.758) 17.046 13.838 ( -2.380 -6.089 3.403) 7.371 14.375 ( 6.124 -7.018 -0.104) 9.315 15.018 ( -15.501 7.319 -9.618) 19.656 15.855 ( 12.313 -22.782 14.260) 29.563 17.728 ( -22.614 9.535 17.345) 30.053 18.260 ( -0.812 10.189 -1.521) 10.334 19.341 ( 9.101 4.717 -18.135) 20.832 20.174 ( 12.656 19.252 -3.459) 23.298 21.635 ( 3.518 5.319 4.445) 7.773 22.547 ( -1.047 -10.154 -3.671) 10.847 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.345 ( 10.083 2.132 -0.529) 10.320 5.278 ( -9.598 2.900 7.792) 12.699 5.716 ( 8.349 5.221 -3.985) 10.623 5.888 ( -15.216 -0.308 -0.609) 15.231 6.173 ( -13.054 -1.001 3.062) 13.445 6.547 ( 0.035 -4.709 1.557) 4.960 7.680 ( 3.887 1.659 -10.948) 11.736 7.945 ( 7.431 -8.364 3.260) 11.654 8.161 ( 10.655 -6.274 1.535) 12.460 9.001 ( 11.127 3.398 5.497) 12.867 9.354 ( -12.109 5.605 2.069) 13.503 9.778 ( 8.958 -1.045 -2.236) 9.292 9.904 ( 0.958 -0.113 -5.160) 5.249 10.417 ( 3.212 7.679 0.184) 8.325 10.727 ( 4.469 11.630 1.999) 12.618 11.188 ( -14.416 -0.222 -5.362) 15.382 11.826 ( 9.264 -19.201 -2.567) 21.473 12.034 ( 1.813 3.821 -4.518) 6.188 12.459 ( -8.033 -11.308 -4.176) 14.485 12.591 ( -3.861 3.659 4.586) 7.024 13.726 ( -5.830 -6.266 4.279) 9.569 14.367 ( 1.605 -6.876 -1.901) 7.313 14.760 ( -13.222 2.925 -6.746) 15.129 15.900 ( 8.574 -23.164 10.714) 26.923 17.553 ( -17.920 10.383 6.286) 21.643 18.394 ( 3.349 9.555 3.362) 10.669 19.426 ( 7.646 1.869 -7.243) 10.697 20.492 ( 5.878 16.688 -2.532) 17.873 21.827 ( 9.795 7.540 3.429) 12.828 22.392 ( -3.183 -10.282 -4.148) 11.535 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.487 ( 4.804 -1.572 1.547) 5.286 5.120 ( -11.923 -1.321 -2.236) 12.202 5.564 ( -17.538 -5.173 1.252) 18.328 5.662 ( -10.464 -3.119 12.271) 16.425 6.301 ( 18.196 6.075 -4.582) 19.723 6.537 ( 3.163 -7.405 2.258) 8.363 7.758 ( 5.612 8.045 -11.615) 15.203 7.886 ( -3.154 -2.730 2.202) 4.717 8.435 ( 15.636 1.837 5.484) 16.671 9.020 ( 0.489 -5.414 -12.989) 14.080 9.349 ( -3.855 7.889 5.136) 10.173 9.881 ( -1.851 4.326 -10.782) 11.764 10.047 ( 12.229 9.341 9.506) 18.088 10.443 ( -5.683 5.680 1.432) 8.162 10.755 ( -12.073 4.804 -0.273) 12.996 11.030 ( 1.509 -6.113 4.439) 7.704 11.725 ( 5.175 -18.117 -3.807) 19.223 12.133 ( 5.275 4.239 -2.345) 7.162 12.307 ( 5.601 -7.572 -5.285) 10.800 12.565 ( -6.585 6.514 0.115) 9.263 13.619 ( -3.526 -4.767 5.736) 8.250 14.282 ( -2.090 -6.611 -2.234) 7.284 14.599 ( -5.884 2.264 -1.688) 6.527 15.809 ( 0.902 -23.570 8.130) 24.949 17.421 ( -12.309 9.513 0.567) 15.567 18.531 ( 2.653 5.453 -1.637) 6.281 19.570 ( 8.504 1.689 6.083) 10.591 20.636 ( -1.760 10.765 -3.259) 11.384 22.106 ( 2.809 11.035 1.008) 11.432 22.222 ( 5.726 -10.009 -5.429) 12.745 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.423 ( -12.888 -7.517 9.934) 17.925 4.858 ( -16.811 0.861 -2.617) 17.036 5.370 ( 0.440 -3.844 3.487) 5.209 5.626 ( 0.780 -2.039 9.766) 10.007 6.501 ( 2.883 -12.153 -0.760) 12.514 6.628 ( 21.052 -1.018 -7.540) 22.385 7.746 ( -7.578 5.676 2.486) 9.789 7.995 ( 8.667 11.404 -6.622) 15.781 8.685 ( 4.579 6.620 6.339) 10.245 8.863 ( -9.117 2.005 -17.627) 19.946 9.318 ( -1.897 -5.254 -3.952) 6.843 9.783 ( -9.211 7.345 -0.825) 11.810 10.203 ( -5.683 4.091 4.705) 8.436 10.374 ( -7.532 3.836 -0.837) 8.494 10.884 ( 10.624 6.154 6.076) 13.699 11.020 ( 7.290 -2.294 7.451) 10.674 11.643 ( 7.232 -17.072 -3.984) 18.964 12.192 ( 1.663 -0.789 -1.985) 2.708 12.404 ( 5.895 -2.480 3.012) 7.069 12.561 ( 5.098 10.729 -9.960) 15.501 13.596 ( 0.129 -1.822 4.331) 4.701 14.176 ( -2.033 -5.416 1.487) 5.973 14.589 ( 0.390 3.951 3.519) 5.305 15.600 ( -4.052 -22.565 5.869) 23.666 17.321 ( -9.912 7.085 -0.495) 12.194 18.556 ( 0.793 0.169 -7.409) 7.453 19.789 ( 7.462 1.584 14.022) 15.963 20.621 ( -4.577 4.738 -6.783) 9.455 21.931 ( -11.227 -4.761 -3.688) 12.740 22.507 ( 17.146 9.041 -4.450) 19.888 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( -14.388 13.732 16.669) 25.950 4.316 ( -13.503 9.530 31.638) 35.695 5.607 ( 2.906 -12.926 -11.309) 17.419 5.927 ( 2.302 3.101 1.536) 4.157 6.380 ( -0.142 0.561 -3.487) 3.534 7.182 ( 15.668 -0.919 -7.568) 17.424 7.882 ( -12.395 14.078 18.191) 26.129 8.189 ( 1.222 -0.340 -12.725) 12.788 8.695 ( 6.921 -13.991 4.185) 16.161 8.854 ( -4.197 -2.933 -7.426) 9.020 9.167 ( 7.164 19.987 9.037) 23.075 9.368 ( -4.138 -20.620 -5.980) 21.865 10.167 ( -7.961 -0.303 -8.321) 11.520 10.411 ( 7.321 11.813 2.072) 14.051 10.820 ( 0.121 -8.391 -2.355) 8.716 11.029 ( -1.672 1.259 -2.268) 3.087 11.477 ( -2.992 -8.404 -7.851) 11.884 11.936 ( 10.323 -2.761 0.157) 10.687 12.947 ( -6.034 -3.318 8.357) 10.829 13.034 ( 0.782 -1.939 -6.704) 7.022 13.627 ( 7.899 -3.796 2.640) 9.153 14.011 ( 0.738 -4.178 7.044) 8.223 14.925 ( -6.987 -6.973 -1.613) 10.002 16.146 ( 10.396 -10.507 18.096) 23.365 17.829 ( 0.105 6.582 -1.676) 6.793 17.941 ( 9.213 17.837 13.725) 24.319 19.402 ( -13.554 -5.430 -14.518) 20.590 20.057 ( -4.371 14.154 -17.453) 22.892 21.575 ( -5.385 8.789 0.961) 10.352 22.961 ( -1.069 -5.962 -8.775) 10.663 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 1.184 25.203 20.454) 32.480 4.395 ( -9.471 7.014 27.580) 29.993 5.448 ( -0.862 -7.252 -9.014) 11.601 6.005 ( 3.664 0.431 2.420) 4.412 6.377 ( -2.124 6.418 -4.440) 8.088 7.248 ( -3.361 3.060 -8.514) 9.652 8.013 ( 2.444 7.699 16.948) 18.775 8.121 ( -0.272 -0.576 -12.313) 12.329 8.569 ( 2.033 -18.801 -5.073) 19.579 8.804 ( 6.698 -10.675 0.760) 12.625 9.127 ( -0.710 -19.153 5.283) 19.881 9.560 ( 4.968 17.979 0.205) 18.653 9.943 ( -7.469 2.835 -8.734) 11.836 10.472 ( -16.375 -2.987 4.279) 17.187 10.675 ( 2.008 -0.445 -5.501) 5.872 11.066 ( 7.934 0.179 -10.348) 13.040 11.517 ( 12.658 -1.035 8.054) 15.039 12.091 ( 5.233 3.595 -1.424) 6.506 12.805 ( -3.626 -10.975 3.514) 12.081 12.936 ( -4.713 -3.606 -5.313) 7.965 13.772 ( 9.132 -1.200 5.486) 10.720 14.046 ( 0.354 -4.361 6.034) 7.453 14.757 ( -1.828 -4.134 -1.374) 4.725 16.311 ( 2.793 -7.517 21.284) 22.744 17.841 ( 10.140 -1.877 -16.117) 19.134 18.375 ( 1.298 23.782 22.822) 32.986 19.048 ( -11.877 -3.909 -15.105) 19.609 19.996 ( -7.832 16.888 -19.867) 27.226 21.588 ( -4.127 8.834 0.963) 9.798 22.811 ( -1.879 -9.415 -6.573) 11.635 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.907 ( 9.147 20.521 16.767) 28.034 4.451 ( -5.317 7.640 17.081) 19.452 5.413 ( 4.659 1.666 0.489) 4.972 6.090 ( 4.852 -0.939 2.972) 5.767 6.351 ( -4.500 8.050 -10.702) 14.127 7.072 ( -12.858 2.546 -8.409) 15.574 8.018 ( -3.216 -1.572 -4.646) 5.865 8.261 ( -1.065 14.183 10.251) 17.532 8.375 ( 6.644 -28.938 -4.319) 30.004 8.876 ( 12.138 -9.520 2.439) 15.617 8.969 ( -0.575 -22.222 7.338) 23.409 9.503 ( -7.335 -0.980 -0.348) 7.408 10.110 ( 5.576 18.009 -9.487) 21.105 10.116 ( -18.491 0.438 8.195) 20.231 10.645 ( -0.845 -1.848 -13.154) 13.310 11.168 ( 11.493 -3.034 -5.030) 12.907 11.843 ( 14.914 1.495 11.098) 18.650 12.083 ( -7.314 3.091 -1.055) 8.010 12.621 ( -7.058 -7.286 -10.920) 14.905 12.917 ( 9.320 -6.842 7.399) 13.727 13.910 ( 1.890 -5.109 1.725) 5.715 13.998 ( 1.444 -2.378 4.805) 5.552 14.821 ( 9.445 2.372 0.072) 9.739 16.284 ( -11.355 -9.751 19.071) 24.243 17.950 ( 14.983 -0.806 -14.787) 21.067 18.689 ( -9.891 23.085 24.954) 35.405 18.808 ( 1.011 -2.609 -16.166) 16.406 19.883 ( -9.253 17.301 -22.107) 29.558 21.613 ( -3.420 7.630 1.537) 8.501 22.664 ( -0.408 -10.478 -3.356) 11.010 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.070 ( -1.488 -3.104 1.487) 3.749 4.773 ( 9.925 22.741 16.490) 29.792 5.618 ( 9.903 6.038 6.898) 13.495 6.169 ( 4.262 -5.342 5.304) 8.651 6.264 ( -3.206 8.640 -18.380) 20.561 6.838 ( -12.352 5.846 -9.210) 16.479 7.916 ( -0.912 -13.321 -3.191) 13.728 8.045 ( -10.572 -10.263 0.681) 14.749 8.491 ( 2.115 9.147 6.327) 11.322 8.626 ( -15.384 -20.259 8.558) 26.839 9.160 ( 24.693 -10.346 2.055) 26.852 9.454 ( -0.327 -3.942 8.868) 9.710 9.934 ( -6.448 9.314 4.003) 12.014 10.299 ( -0.069 2.385 -7.414) 7.788 10.496 ( -2.288 6.254 -14.928) 16.347 11.310 ( 12.949 -6.352 -1.622) 14.514 11.883 ( -11.971 6.117 -3.737) 13.953 12.139 ( 6.150 -8.207 3.206) 10.745 12.414 ( -2.337 0.242 -2.831) 3.679 13.034 ( 4.972 -8.790 4.911) 11.229 13.812 ( -1.631 -5.191 -0.383) 5.455 14.115 ( 7.701 -2.859 3.245) 8.832 15.043 ( 12.115 5.645 -2.989) 13.696 16.007 ( -18.609 -13.387 12.356) 26.042 18.095 ( 7.038 1.752 -0.560) 7.274 18.676 ( -17.663 10.998 15.428) 25.903 18.915 ( 9.795 7.507 -17.044) 21.043 19.843 ( 1.612 17.315 -16.126) 23.716 21.641 ( -2.510 6.103 2.663) 7.116 22.561 ( 0.371 -9.287 -0.266) 9.299 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.041 ( 4.480 -2.873 -3.032) 6.125 5.209 ( 10.270 14.259 10.935) 20.696 5.741 ( -6.018 1.705 -0.404) 6.268 6.174 ( 0.150 2.946 -8.988) 9.460 6.279 ( 8.445 -6.952 2.304) 11.179 6.689 ( -8.468 11.571 -12.413) 18.966 7.682 ( 0.273 -16.809 0.159) 16.812 7.904 ( -12.909 4.842 4.224) 14.420 8.210 ( -12.592 -16.687 8.383) 22.523 8.687 ( 6.227 7.113 5.795) 11.089 9.424 ( 10.569 -2.299 1.838) 10.971 9.524 ( 10.059 -9.191 9.409) 16.559 10.028 ( -7.732 1.545 -4.267) 8.965 10.133 ( 4.603 3.624 1.545) 6.058 10.576 ( 3.918 13.144 -10.973) 17.565 11.437 ( 11.967 -9.716 -0.416) 15.420 11.692 ( -14.652 5.279 -5.760) 16.605 12.011 ( -1.208 -8.644 -11.231) 14.224 12.518 ( 4.323 1.130 9.478) 10.478 12.929 ( -9.012 -8.150 2.347) 12.375 13.773 ( 1.999 -6.410 0.243) 6.718 14.208 ( 6.497 -4.889 0.413) 8.141 15.214 ( 0.179 9.576 -10.683) 14.348 15.656 ( -8.537 -19.014 10.750) 23.452 18.211 ( -3.114 3.456 16.617) 17.255 18.494 ( -23.724 13.708 4.573) 27.779 19.044 ( 16.433 0.945 -22.571) 27.935 20.086 ( 13.721 17.208 -6.697) 23.006 21.686 ( -0.386 4.878 3.920) 6.270 22.484 ( -1.344 -6.845 2.004) 7.258 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.136 ( 11.118 -2.499 -2.691) 11.709 5.497 ( -0.243 2.064 9.990) 10.204 5.560 ( -0.424 0.265 -13.665) 13.675 6.073 ( -8.841 -4.201 -2.431) 10.086 6.288 ( 0.387 -10.351 0.572) 10.374 6.597 ( -8.567 11.203 -9.374) 16.934 7.707 ( -8.825 2.995 4.292) 10.260 7.757 ( 11.922 -0.810 6.543) 13.623 8.075 ( -2.490 -1.572 6.352) 7.001 8.876 ( 7.821 -1.710 2.221) 8.308 9.535 ( 2.937 -2.203 8.969) 9.692 9.639 ( 6.009 0.781 -0.611) 6.090 9.870 ( -1.439 0.916 -3.035) 3.482 10.376 ( 7.743 6.884 2.495) 10.657 10.711 ( 6.609 7.623 -5.518) 11.499 11.401 ( -14.650 -1.508 -6.996) 16.305 11.522 ( 6.831 -10.918 -0.258) 12.881 11.897 ( 4.318 -3.752 -12.627) 13.863 12.572 ( -9.065 -2.468 7.346) 11.926 12.724 ( -5.620 -0.156 3.461) 6.602 13.719 ( -0.820 -7.952 0.689) 8.024 14.238 ( 4.016 -6.498 -1.402) 7.767 15.015 ( -18.201 3.534 -7.994) 20.191 15.597 ( 9.878 -15.440 3.381) 18.639 18.086 ( -26.963 7.943 14.276) 31.526 18.442 ( 1.632 8.473 -1.919) 8.840 19.210 ( 15.085 -0.626 -8.402) 17.279 20.441 ( 13.620 13.604 -6.176) 20.217 21.783 ( 4.459 4.438 4.171) 7.549 22.401 ( -5.016 -3.402 3.451) 6.975 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.281 ( 12.311 -6.756 -2.031) 14.189 5.273 ( -12.403 -3.444 -2.687) 13.149 5.679 ( 4.781 -8.558 -0.214) 9.805 5.811 ( -8.113 -9.419 -5.190) 13.471 6.169 ( -4.900 1.684 -1.302) 5.342 6.536 ( -5.633 6.197 1.564) 8.519 7.697 ( 2.707 8.142 -5.054) 9.958 8.039 ( -5.002 7.748 12.799) 15.776 8.181 ( 19.687 3.637 4.981) 20.630 8.883 ( 1.301 -6.010 -6.989) 9.310 9.561 ( -5.799 -0.312 10.521) 12.017 9.850 ( 8.579 8.075 -6.194) 13.310 9.961 ( 10.834 9.860 7.535) 16.473 10.497 ( 2.680 1.712 -1.761) 3.635 10.820 ( 6.499 -5.874 -2.881) 9.222 11.054 ( -16.702 -5.972 -6.126) 18.765 11.501 ( 3.247 -11.352 -0.812) 11.835 11.960 ( 11.187 3.261 -7.778) 14.010 12.351 ( -12.560 -1.963 3.073) 13.078 12.736 ( -4.498 6.023 3.786) 8.417 13.621 ( -1.726 -7.846 1.648) 8.201 14.202 ( 1.140 -7.465 -1.754) 7.753 14.751 ( -11.259 2.138 -3.283) 11.921 15.589 ( 5.112 -15.246 -1.204) 16.125 17.818 ( -21.670 9.614 5.555) 24.348 18.516 ( 1.946 2.081 -3.836) 4.778 19.439 ( 13.600 0.802 5.729) 14.780 20.657 ( 5.365 6.164 -7.757) 11.267 21.972 ( 10.851 2.379 2.019) 11.290 22.303 ( -8.626 3.810 4.039) 10.259 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.371 ( 9.955 -11.547 -0.479) 15.253 5.035 ( -12.007 -2.836 0.192) 12.339 5.496 ( -3.629 -19.913 4.297) 20.692 5.619 ( -9.757 2.910 -3.963) 10.926 6.263 ( 13.447 0.614 -3.713) 13.964 6.503 ( -6.838 2.565 4.313) 8.482 7.847 ( 7.746 10.819 -7.355) 15.203 8.050 ( -6.954 8.237 6.781) 12.735 8.612 ( 17.435 7.184 9.095) 20.936 8.803 ( -0.166 0.248 -11.429) 11.433 9.456 ( -12.735 0.813 3.000) 13.109 9.922 ( -1.372 8.554 -3.719) 9.428 10.389 ( 2.555 12.201 5.380) 13.577 10.485 ( -0.295 -1.894 1.058) 2.189 10.773 ( 4.145 -13.278 -5.962) 15.134 10.785 ( 5.643 -11.852 2.496) 13.362 11.439 ( 1.935 -5.671 0.869) 6.055 12.171 ( 3.718 3.753 -1.713) 5.553 12.243 ( 5.371 2.898 1.124) 6.205 12.690 ( -8.912 6.656 -1.471) 11.220 13.565 ( 1.482 -5.076 0.882) 5.361 14.134 ( 0.385 -6.884 0.943) 6.959 14.662 ( -2.579 4.470 0.627) 5.199 15.465 ( -0.430 -15.753 -1.776) 15.859 17.623 ( -16.137 8.895 2.545) 18.601 18.490 ( 0.005 -3.969 -6.498) 7.614 19.720 ( 11.826 1.467 11.634) 16.654 20.651 ( -2.001 -0.771 -9.373) 9.615 22.042 ( -4.677 -4.965 2.918) 7.419 22.382 ( 6.884 15.519 -0.753) 16.994 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( -12.405 12.431 8.656) 19.579 4.807 ( -14.995 7.002 25.728) 30.590 5.294 ( 13.224 -13.179 -2.279) 18.808 6.022 ( -4.715 7.574 3.889) 9.733 6.296 ( 8.156 0.175 -3.176) 8.754 6.690 ( 20.281 -12.857 -6.402) 24.852 8.053 ( 4.239 -0.358 -13.473) 14.129 8.424 ( -18.479 10.713 -0.380) 21.363 8.498 ( 2.501 -9.922 2.798) 10.608 8.943 ( -3.013 5.762 -1.688) 6.718 9.199 ( -8.039 -13.053 -2.360) 15.510 9.438 ( -5.726 17.524 6.757) 19.635 10.210 ( -2.453 1.570 -10.002) 10.417 10.432 ( 2.338 7.132 5.131) 9.092 10.558 ( 18.942 -0.738 -7.173) 20.268 11.158 ( -12.207 -7.742 6.274) 15.758 11.448 ( -4.427 -3.767 -8.570) 10.355 11.688 ( 9.973 -7.247 -0.183) 12.329 12.969 ( 2.096 1.609 -4.724) 5.413 12.987 ( -2.800 -10.971 2.613) 11.620 13.553 ( 4.437 3.062 6.020) 8.081 14.006 ( 0.153 -4.066 4.970) 6.423 14.954 ( -4.704 -5.990 -0.315) 7.623 15.884 ( 15.835 -13.211 7.255) 21.861 17.781 ( 1.003 -2.886 3.467) 4.621 18.221 ( 3.082 25.592 21.050) 33.280 19.440 ( -9.533 -6.696 -17.454) 20.985 20.157 ( -3.532 12.253 -10.932) 16.796 21.740 ( -4.873 6.364 0.612) 8.039 22.874 ( -2.011 -5.135 -8.644) 10.253 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( -2.297 21.531 12.687) 25.096 4.779 ( -12.761 2.965 22.478) 26.017 5.342 ( 4.587 -3.777 0.207) 5.945 6.045 ( -3.221 4.890 4.897) 7.633 6.352 ( 3.180 2.172 -8.833) 9.636 6.926 ( 24.325 -13.451 -4.784) 28.205 8.037 ( 0.363 -0.936 -12.563) 12.603 8.202 ( -7.133 0.222 -6.404) 9.589 8.391 ( -2.265 -11.076 -2.172) 11.512 8.912 ( -12.646 11.632 8.732) 19.273 8.967 ( -0.310 -18.236 5.068) 18.929 9.681 ( 2.489 19.813 2.076) 20.076 10.042 ( -8.127 0.648 -10.228) 13.079 10.534 ( 3.838 3.361 -5.705) 7.654 10.734 ( -3.421 -2.298 3.335) 5.301 10.956 ( -1.933 0.108 -3.611) 4.097 11.375 ( 6.990 -4.570 9.033) 12.302 11.913 ( 15.543 1.767 -2.093) 15.783 12.773 ( -6.408 -17.786 1.573) 18.970 12.928 ( -2.666 -2.271 -6.070) 7.008 13.699 ( 5.738 1.346 7.640) 9.649 14.051 ( 1.310 -1.082 7.947) 8.126 14.760 ( -6.087 -6.755 -1.852) 9.280 16.160 ( 19.497 -7.230 10.526) 23.307 17.692 ( -4.241 -3.791 -4.373) 7.175 18.619 ( 3.793 13.599 13.551) 19.569 19.157 ( -9.294 4.114 -9.931) 14.210 20.150 ( -5.264 14.725 -13.063) 20.375 21.739 ( -3.911 7.534 0.349) 8.496 22.709 ( -2.617 -9.904 -7.403) 12.640 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.081 ( 2.623 17.062 11.652) 20.828 4.726 ( -8.881 6.016 14.946) 18.397 5.420 ( 2.386 4.945 5.792) 7.981 6.073 ( -0.247 1.269 4.897) 5.064 6.337 ( 1.017 1.259 -14.484) 14.574 7.064 ( 7.022 -6.736 -9.568) 13.646 7.867 ( 3.309 -18.366 -12.960) 22.720 8.170 ( -1.431 4.420 -1.143) 4.785 8.325 ( 7.896 -4.144 2.240) 9.194 8.816 ( -7.966 -9.964 13.211) 18.364 8.910 ( -4.538 1.842 7.606) 9.047 9.624 ( -9.822 -1.844 -3.462) 10.577 10.127 ( 6.418 16.566 -7.531) 19.296 10.463 ( -15.550 -3.344 6.206) 17.073 10.565 ( -2.630 -1.483 -7.119) 7.733 11.024 ( 4.441 6.736 -5.373) 9.693 11.652 ( 16.741 -0.208 12.978) 21.183 12.120 ( 5.867 2.771 -3.153) 7.213 12.523 ( -2.057 -16.462 -2.085) 16.720 12.812 ( -0.990 -6.168 -1.133) 6.349 13.829 ( 4.511 -2.623 4.612) 6.964 14.062 ( -4.149 -0.341 6.660) 7.854 14.703 ( 5.144 -0.448 -1.136) 5.287 16.400 ( 4.574 -8.468 16.746) 19.315 17.607 ( 8.201 -2.480 -14.736) 17.045 18.656 ( -0.735 -3.901 -10.803) 11.510 19.213 ( -5.876 21.857 17.085) 28.357 20.073 ( -10.576 14.069 -16.600) 24.194 21.751 ( -3.782 7.315 0.823) 8.276 22.544 ( -0.208 -11.272 -3.807) 11.899 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.141 ( -7.998 -1.291 3.687) 8.901 4.928 ( 5.807 18.915 11.977) 23.129 5.579 ( 5.989 5.058 6.943) 10.472 6.104 ( 1.023 -5.279 3.694) 6.523 6.248 ( -0.984 4.772 -18.335) 18.972 6.965 ( -4.934 2.345 -13.273) 14.353 7.664 ( 2.708 -20.488 -7.277) 21.910 8.194 ( -3.010 4.361 6.301) 8.233 8.576 ( 14.427 4.127 5.202) 15.882 8.615 ( -4.573 -20.518 6.958) 22.143 8.896 ( -5.775 2.912 9.534) 11.521 9.515 ( -3.531 -1.773 6.865) 7.921 10.138 ( -7.419 2.727 0.065) 7.904 10.345 ( -9.765 0.412 -4.073) 10.588 10.462 ( 3.045 6.196 -10.624) 12.670 11.130 ( 5.400 3.302 -2.710) 6.885 11.944 ( 8.530 -1.922 5.370) 10.262 12.097 ( -5.895 -1.619 1.131) 6.217 12.379 ( 1.033 -3.766 -7.000) 8.016 12.845 ( 10.037 -8.685 5.971) 14.554 13.808 ( -2.528 -4.512 -1.641) 5.427 14.060 ( -0.184 0.636 4.766) 4.812 14.860 ( 12.026 2.177 -1.660) 12.334 16.277 ( -16.877 -11.740 12.606) 24.116 17.809 ( 24.414 0.784 -9.435) 26.185 18.557 ( 3.142 -2.939 -13.930) 14.579 19.395 ( -15.767 19.310 22.612) 33.657 19.904 ( -6.613 12.530 -21.439) 25.698 21.761 ( -3.529 5.844 1.909) 7.089 22.461 ( 2.375 -8.432 1.326) 8.860 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.007 ( -5.101 -1.451 0.042) 5.304 5.222 ( 6.282 7.594 3.337) 10.405 5.745 ( 5.580 -2.675 2.513) 6.679 5.998 ( 1.877 -11.560 -8.139) 14.261 6.263 ( 0.099 10.654 -4.880) 11.719 6.839 ( -6.544 9.389 -15.743) 19.463 7.533 ( 2.380 -9.058 2.429) 9.675 8.223 ( -8.041 9.341 11.892) 17.127 8.361 ( -11.821 -13.398 8.575) 19.818 8.718 ( -3.736 2.516 1.738) 4.828 9.049 ( 21.308 -7.946 6.317) 23.603 9.501 ( -1.136 -5.063 11.727) 12.823 10.061 ( -9.207 -8.755 -9.616) 15.934 10.202 ( 3.584 11.718 6.389) 13.819 10.552 ( 2.992 8.912 -9.801) 13.581 11.226 ( 6.533 -0.905 -2.108) 6.924 11.915 ( -5.965 -7.851 -5.200) 11.147 11.923 ( -10.305 3.699 -5.657) 12.324 12.474 ( 8.667 0.600 6.505) 10.853 12.924 ( 2.711 -8.623 5.641) 10.655 13.720 ( -1.508 -2.151 -3.044) 4.021 14.091 ( 2.699 -2.759 0.691) 3.920 15.076 ( 12.837 2.766 -5.314) 14.166 15.867 ( -23.233 -12.589 5.747) 27.042 18.209 ( 18.394 3.964 7.950) 20.427 18.555 ( 14.153 -4.487 -19.991) 24.902 19.191 ( -33.068 10.784 7.233) 35.526 20.000 ( 9.893 15.453 -8.365) 20.165 21.774 ( -2.292 4.064 3.061) 5.581 22.462 ( 1.552 -3.648 5.903) 7.110 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( 2.883 -1.860 -0.976) 3.567 5.321 ( 7.900 -5.216 -8.808) 12.930 5.669 ( -7.521 -3.329 -2.231) 8.522 5.907 ( 5.690 -22.574 -3.466) 23.537 6.321 ( -3.819 10.715 -0.891) 11.410 6.758 ( -4.219 15.460 -17.378) 23.639 7.639 ( 8.391 4.533 8.210) 12.584 8.072 ( -20.937 -0.680 12.461) 24.374 8.253 ( -7.899 9.449 13.277) 18.110 8.737 ( 6.215 -4.868 1.729) 8.082 9.347 ( 20.456 -8.376 0.893) 22.122 9.504 ( 1.918 -8.403 8.022) 11.774 9.876 ( -0.229 -3.075 -1.977) 3.663 10.434 ( 1.293 11.808 7.934) 14.285 10.617 ( 5.208 5.166 -10.186) 12.553 11.299 ( 6.283 -3.203 -2.657) 7.536 11.640 ( -15.548 -3.729 -2.962) 16.261 11.788 ( -2.787 2.755 -12.242) 12.854 12.665 ( 6.252 2.618 9.025) 11.287 12.821 ( -8.408 -7.487 4.183) 12.010 13.672 ( -1.019 -2.427 -1.793) 3.185 14.103 ( 3.893 -5.145 -2.143) 6.799 15.230 ( 2.910 6.101 -11.950) 13.729 15.412 ( -14.522 -16.305 5.188) 22.442 18.442 ( 1.832 2.626 2.462) 4.039 18.704 ( -10.177 -0.983 -5.037) 11.398 18.829 ( 5.160 5.129 1.157) 7.367 20.295 ( 12.813 12.281 -5.962) 18.723 21.807 ( 0.258 2.649 3.646) 4.514 22.496 ( -2.034 1.552 8.859) 9.221 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.011 ( 7.725 -9.057 -2.682) 12.203 5.317 ( 7.489 -9.696 -12.533) 17.526 5.491 ( -7.512 -10.736 4.957) 14.009 5.675 ( -0.843 -16.809 -8.530) 18.868 6.345 ( -6.029 12.094 -1.764) 13.628 6.769 ( -5.573 17.479 -8.467) 20.205 7.773 ( -5.473 -2.533 3.732) 7.092 8.031 ( 7.393 12.445 9.737) 17.446 8.321 ( -6.334 11.859 16.354) 21.171 8.773 ( 2.680 -4.829 -1.050) 5.622 9.550 ( 10.364 -14.060 8.817) 19.566 9.624 ( 19.484 1.085 1.030) 19.541 9.910 ( 4.571 -1.361 -0.643) 4.812 10.512 ( -3.313 6.342 1.341) 7.280 10.668 ( 1.431 -0.578 -5.972) 6.168 11.257 ( -14.841 -2.975 -7.744) 17.002 11.379 ( 0.524 -3.976 0.443) 4.034 11.819 ( 7.241 9.453 -6.758) 13.691 12.586 ( -14.133 -4.396 4.454) 15.456 12.838 ( 2.879 4.954 7.078) 9.106 13.594 ( -3.486 -4.339 -1.068) 5.667 14.092 ( 2.837 -6.065 -2.343) 7.094 14.964 ( -16.758 -2.272 -2.283) 17.064 15.348 ( 7.440 -7.847 -7.912) 13.399 18.293 ( -18.603 4.265 -13.843) 23.578 18.490 ( -5.511 -1.393 11.205) 12.565 19.196 ( 20.849 1.441 6.062) 21.760 20.528 ( 9.033 5.368 -7.839) 13.110 21.884 ( 4.515 1.204 3.044) 5.577 22.527 ( -6.052 7.705 9.485) 13.637 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.015 ( 11.647 -17.447 -4.438) 21.442 5.186 ( 1.539 -24.855 -4.303) 25.271 5.249 ( -8.945 -8.187 6.266) 13.649 5.634 ( 6.744 3.378 -12.682) 14.756 6.325 ( -9.341 13.540 -0.034) 16.450 6.767 ( -11.054 12.483 3.704) 17.081 7.738 ( 5.564 -0.958 -4.278) 7.084 8.258 ( -1.544 8.410 5.092) 9.951 8.511 ( 6.289 8.089 8.364) 13.227 8.795 ( 1.914 7.324 2.751) 8.055 9.611 ( 2.839 -8.964 7.772) 12.199 9.927 ( 6.503 -11.060 -5.892) 14.118 10.025 ( 22.348 -0.183 2.589) 22.499 10.518 ( -1.322 1.752 0.509) 2.253 10.619 ( -0.401 1.531 -2.336) 2.821 10.876 ( -18.221 -2.979 -7.250) 19.835 11.403 ( 1.999 -0.893 3.419) 4.060 12.074 ( 11.803 13.152 -3.076) 17.937 12.361 ( -11.048 -2.509 4.461) 12.176 12.904 ( -7.167 6.766 3.582) 10.487 13.495 ( -0.730 -4.867 -1.088) 5.041 14.056 ( 1.459 -6.638 -0.196) 6.799 14.761 ( -6.007 1.612 -0.551) 6.243 15.297 ( 2.651 -8.618 -9.016) 12.751 17.979 ( -15.999 3.913 -8.092) 18.351 18.435 ( -3.536 -5.512 4.747) 8.088 19.566 ( 16.158 2.025 8.268) 18.263 20.582 ( 1.403 -1.377 -7.954) 8.193 21.994 ( 5.724 -1.932 2.500) 6.538 22.572 ( -6.413 14.680 6.114) 17.146 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.940 ( -3.785 4.421 1.497) 6.009 4.935 ( 16.447 -6.822 6.495) 18.953 5.225 ( -9.422 5.257 16.965) 20.105 5.975 ( 20.453 -8.158 1.364) 22.062 6.269 ( -9.432 12.167 7.600) 17.169 6.433 ( -4.850 -8.557 -7.128) 12.147 7.905 ( 3.416 0.006 -8.167) 8.853 8.417 ( -2.364 -6.931 -0.812) 7.368 8.709 ( -11.775 3.041 -10.191) 15.867 8.962 ( -5.425 -1.298 -9.076) 10.653 9.271 ( 0.994 2.604 1.466) 3.149 9.674 ( 1.105 9.705 -2.752) 10.148 10.018 ( 21.623 -8.163 -3.591) 23.390 10.315 ( 3.732 10.250 3.145) 11.352 10.600 ( -10.419 8.769 4.160) 14.239 11.260 ( -3.581 -10.510 -4.051) 11.819 11.420 ( -1.334 3.169 3.989) 5.267 11.617 ( -10.871 -8.278 -2.430) 13.878 12.894 ( 2.346 -8.842 -0.333) 9.154 12.948 ( -0.480 2.369 -4.652) 5.242 13.572 ( 1.703 3.908 4.553) 6.237 13.979 ( 1.541 -3.512 2.752) 4.721 14.959 ( 1.165 -1.749 3.623) 4.188 15.522 ( 10.074 -18.712 -0.337) 21.254 17.767 ( 7.563 0.830 15.098) 16.907 18.543 ( -2.840 17.739 17.276) 24.924 19.383 ( -4.523 -5.607 -19.768) 21.039 20.278 ( -4.130 10.104 -5.738) 12.332 21.850 ( -2.469 2.427 0.787) 3.550 22.853 ( -6.065 -1.557 -8.609) 10.645 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.022 ( 1.337 13.599 4.216) 14.300 5.063 ( -3.453 -1.937 11.888) 12.530 5.293 ( 1.582 4.132 14.074) 14.753 6.199 ( 3.975 -3.578 6.496) 8.414 6.262 ( 1.188 -8.246 -8.212) 11.698 6.362 ( 13.899 1.399 -0.349) 13.974 7.941 ( 2.467 -1.259 -7.457) 7.955 8.171 ( -7.196 -7.710 -11.149) 15.347 8.471 ( -11.756 3.489 -13.478) 18.222 8.821 ( 0.290 -11.112 1.407) 11.205 9.328 ( -9.252 12.044 12.131) 19.438 9.811 ( 4.067 13.856 -5.150) 15.332 10.136 ( -7.853 3.338 -10.042) 13.177 10.491 ( -1.198 0.388 -3.924) 4.122 10.606 ( 17.846 5.693 2.620) 18.915 11.065 ( -8.602 -8.980 9.001) 15.351 11.329 ( -1.557 -5.154 6.504) 8.443 11.690 ( 11.136 6.612 -1.826) 13.079 12.710 ( -6.256 -16.974 -0.749) 18.105 12.924 ( -2.732 -0.120 -5.570) 6.205 13.654 ( 4.717 -1.523 4.514) 6.704 14.061 ( 3.846 1.510 7.224) 8.322 14.809 ( -8.837 -8.367 1.046) 12.215 15.724 ( 25.020 -8.290 0.188) 26.358 17.804 ( -8.809 -4.527 10.651) 14.544 18.704 ( -1.617 0.657 1.356) 2.210 19.268 ( 0.785 13.256 -6.216) 14.662 20.300 ( -3.419 12.840 -5.090) 14.229 21.857 ( -2.080 5.953 0.254) 6.311 22.647 ( -6.616 -8.022 -8.049) 13.149 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.244 ( 3.204 13.134 6.098) 14.831 5.016 ( -9.097 3.828 12.167) 15.666 5.457 ( 3.599 3.199 10.584) 11.628 6.166 ( -2.532 2.115 -2.761) 4.302 6.201 ( 1.320 -6.136 -6.174) 8.804 6.654 ( 22.360 -8.783 -2.232) 24.127 7.688 ( -7.545 -11.551 -11.230) 17.789 8.177 ( 1.194 -4.950 -2.863) 5.842 8.270 ( -2.312 14.665 -10.468) 18.166 8.769 ( 0.869 -13.244 11.721) 17.707 9.300 ( -15.500 9.474 10.879) 21.174 9.760 ( -12.695 -1.216 -7.095) 14.594 10.094 ( 7.331 13.546 -10.224) 18.487 10.501 ( -1.211 1.587 -5.135) 5.509 10.738 ( -8.092 -4.171 7.407) 11.737 11.043 ( 3.706 8.509 -0.690) 9.307 11.468 ( 12.721 -1.010 14.493) 19.310 11.948 ( 13.933 4.256 -1.733) 14.672 12.420 ( -6.394 -17.292 -0.163) 18.437 12.789 ( -5.185 -5.057 -5.821) 9.292 13.748 ( 5.372 -3.989 4.114) 7.855 14.160 ( -0.227 1.139 8.014) 8.098 14.648 ( -2.075 -3.028 -1.267) 3.883 16.092 ( 26.394 -8.446 2.581) 27.833 17.582 ( -13.220 -5.731 -0.415) 14.415 18.591 ( -2.533 -4.235 -8.749) 10.045 19.491 ( 3.202 18.956 4.666) 19.783 20.306 ( -8.809 12.370 -3.512) 15.587 21.888 ( -3.215 8.503 0.646) 9.113 22.424 ( -2.589 -11.700 -5.067) 13.011 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.326 ( -8.274 2.990 6.057) 10.681 5.066 ( 1.069 8.762 5.754) 10.537 5.573 ( 2.800 -0.707 5.093) 5.855 6.053 ( -3.405 -9.844 -7.297) 12.718 6.205 ( 3.269 9.095 -6.904) 11.877 6.841 ( 11.089 -3.227 -9.177) 14.752 7.494 ( -2.033 -4.691 -0.604) 5.148 8.094 ( 7.284 -10.224 -1.805) 12.682 8.466 ( 4.820 12.502 2.126) 13.567 8.680 ( -6.887 -12.863 14.762) 20.756 9.172 ( -12.030 7.940 3.226) 14.771 9.606 ( -4.977 -0.917 4.970) 7.093 10.216 ( -0.579 4.840 -5.903) 7.656 10.393 ( -4.491 -2.010 -7.181) 8.705 10.586 ( -11.360 3.722 0.636) 11.971 11.130 ( 0.048 5.564 -2.162) 5.969 11.797 ( 14.397 -0.231 12.126) 18.825 12.134 ( 2.764 2.321 -2.186) 4.219 12.258 ( 2.149 -6.301 -0.294) 6.663 12.662 ( 3.165 -7.581 -1.304) 8.318 13.770 ( 0.908 -4.876 -0.427) 4.979 14.160 ( -5.030 0.713 5.816) 7.722 14.685 ( 8.338 0.409 -2.746) 8.788 16.345 ( 7.586 -13.401 7.540) 17.146 17.407 ( 6.985 -2.233 -10.714) 12.983 18.484 ( -2.020 -1.089 -5.819) 6.255 19.739 ( 4.194 16.828 1.097) 17.377 20.159 ( -19.880 8.900 -2.043) 21.877 21.899 ( -5.323 6.182 2.224) 8.456 22.331 ( 4.789 -7.552 0.811) 8.979 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.176 ( -12.890 0.313 4.300) 13.592 5.166 ( 3.593 -3.264 -3.968) 6.270 5.607 ( 4.960 -6.390 -0.299) 8.095 5.842 ( -1.964 -9.248 -12.944) 16.029 6.356 ( 1.751 14.839 0.083) 14.942 6.878 ( 0.671 7.351 -14.439) 16.216 7.505 ( 0.846 3.467 7.936) 8.701 8.208 ( 16.292 -10.837 3.240) 19.834 8.490 ( -10.114 -7.027 19.594) 23.143 8.683 ( 7.679 2.568 -0.828) 8.140 9.072 ( -14.358 5.179 6.529) 16.601 9.550 ( -3.553 -6.948 10.047) 12.721 10.113 ( -13.578 -8.062 -10.323) 18.866 10.247 ( 4.089 7.056 2.519) 8.535 10.563 ( -0.446 9.103 -5.975) 10.898 11.159 ( 1.504 2.061 -3.131) 4.039 11.946 ( -2.888 1.519 -0.216) 3.270 12.089 ( -8.805 0.044 1.383) 8.913 12.327 ( 11.072 -0.774 2.186) 11.312 12.766 ( 11.387 -4.459 3.834) 12.816 13.707 ( -1.328 -2.265 -4.395) 5.120 14.101 ( -4.603 -0.960 2.384) 5.272 14.845 ( 12.388 0.198 -5.189) 13.433 16.135 ( -17.420 -13.639 4.695) 22.617 17.682 ( 32.258 -3.381 -11.031) 34.259 18.433 ( -1.320 1.292 -1.635) 2.467 19.799 ( -23.491 4.949 -10.262) 26.108 19.985 ( 1.801 15.518 7.022) 17.128 21.872 ( -3.891 1.582 3.527) 5.485 22.422 ( 6.014 0.288 7.021) 9.249 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( -8.145 -2.503 1.586) 8.667 5.058 ( 3.829 -16.860 -13.323) 21.827 5.611 ( 4.996 -12.611 -1.512) 13.648 5.698 ( -2.116 -0.666 -7.494) 7.815 6.486 ( -2.177 11.096 1.816) 11.452 6.862 ( -3.442 16.287 -17.098) 23.863 7.662 ( 3.589 9.920 7.893) 13.175 8.324 ( -3.096 -3.182 11.013) 11.874 8.521 ( 9.689 -6.219 16.410) 20.046 8.717 ( -8.976 -0.012 1.178) 9.053 8.938 ( 2.834 -8.890 5.938) 11.060 9.486 ( -2.426 -6.594 5.720) 9.060 9.845 ( -3.706 -4.210 -3.756) 6.750 10.494 ( 9.662 10.962 2.146) 14.769 10.593 ( -1.054 6.781 -3.618) 7.758 11.186 ( 3.356 0.032 -4.131) 5.322 11.849 ( -10.125 6.310 -1.589) 12.035 11.881 ( -12.791 -1.257 -5.290) 13.899 12.555 ( 12.274 -1.330 7.177) 14.281 12.870 ( 0.635 -2.544 4.203) 4.954 13.667 ( 0.280 1.493 -4.059) 4.334 14.027 ( -2.100 -3.403 -0.806) 4.079 15.006 ( 12.245 -1.541 -8.672) 15.084 15.687 ( -23.486 -10.347 1.730) 25.722 18.076 ( 28.618 -10.861 -21.214) 37.242 18.502 ( 6.424 5.409 11.340) 14.111 19.361 ( -28.641 4.515 -1.169) 29.018 20.220 ( 7.065 12.475 -0.804) 14.359 21.854 ( -1.602 -0.339 3.562) 3.920 22.582 ( 2.920 5.258 11.176) 12.692 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.852 ( -2.717 -12.381 -2.951) 13.015 4.894 ( 10.417 -24.573 -13.213) 29.781 5.525 ( -1.268 -6.874 -1.153) 7.084 5.600 ( -6.318 -1.117 -1.369) 6.561 6.546 ( -3.861 13.127 -0.801) 13.706 6.912 ( -0.155 21.675 -15.207) 26.478 7.815 ( -1.361 2.157 2.200) 3.368 8.254 ( -7.152 0.992 13.647) 15.440 8.613 ( -5.524 2.210 7.254) 9.382 8.723 ( 6.655 -1.409 12.412) 14.154 8.990 ( 14.759 -20.732 1.360) 25.486 9.503 ( 7.202 1.507 5.778) 9.356 9.827 ( 3.311 -0.251 -3.041) 4.503 10.553 ( -1.194 2.610 -7.851) 8.359 10.754 ( 0.113 7.120 11.068) 13.161 11.232 ( 5.494 1.725 -6.310) 8.543 11.549 ( -18.429 -3.719 -2.733) 18.999 11.843 ( -1.209 13.811 -3.366) 14.267 12.697 ( -0.977 -7.154 3.209) 7.901 12.870 ( 1.790 5.185 7.586) 9.361 13.651 ( -4.289 2.301 -1.335) 5.047 13.978 ( 2.181 -4.117 -2.729) 5.400 15.089 ( 7.625 -8.049 -8.319) 13.861 15.239 ( -19.865 -2.698 -3.061) 20.280 18.110 ( 9.634 -12.004 -24.731) 29.130 18.855 ( 7.200 0.215 21.529) 22.702 19.001 ( -11.659 8.326 -1.810) 14.441 20.422 ( 6.501 7.851 -3.289) 10.710 21.858 ( 1.073 -1.461 2.332) 2.954 22.738 ( -1.298 9.295 12.406) 15.556 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.655 ( 4.175 -22.639 -6.434) 23.903 4.719 ( 9.569 -36.797 -5.971) 38.487 5.456 ( -8.460 3.325 6.426) 11.132 5.539 ( 1.794 8.296 -7.066) 11.044 6.599 ( -5.874 16.538 -3.089) 17.821 7.056 ( -2.435 22.314 -7.055) 23.529 7.655 ( -6.238 -12.151 1.807) 13.777 8.374 ( 2.378 9.396 7.081) 12.003 8.574 ( -3.076 -0.580 1.538) 3.487 8.901 ( 14.592 -12.793 9.866) 21.770 9.028 ( 9.180 -13.010 2.300) 16.088 9.780 ( 7.444 3.513 4.234) 9.256 9.890 ( 11.322 7.417 -3.881) 14.080 10.504 ( -0.905 -2.039 -2.501) 3.352 10.765 ( -8.930 0.709 9.015) 12.709 11.151 ( -17.942 3.024 -7.075) 19.523 11.376 ( 4.272 2.449 1.376) 5.113 12.033 ( 7.242 15.780 -1.229) 17.406 12.524 ( -9.987 -6.360 3.125) 12.245 13.048 ( 2.513 7.880 6.557) 10.555 13.542 ( -8.593 0.083 -0.121) 8.594 13.964 ( 1.818 -4.581 -2.197) 5.396 14.888 ( -10.047 -4.650 1.810) 11.218 15.113 ( 3.674 -2.271 -14.738) 15.358 17.941 ( 1.507 -11.509 -22.022) 24.894 18.693 ( -17.939 1.516 14.552) 23.149 19.338 ( 19.338 4.013 5.724) 20.563 20.523 ( 1.754 2.617 -3.079) 4.405 21.893 ( 4.568 -2.678 0.394) 5.310 22.859 ( -5.272 13.050 10.144) 17.349 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.814 ( 13.934 -12.315 1.003) 18.623 4.662 ( 25.832 1.100 11.356) 28.239 5.418 ( -5.890 0.816 6.765) 9.007 5.694 ( 1.691 -6.856 -6.200) 9.397 6.516 ( -12.723 -0.528 1.610) 12.835 6.673 ( -16.960 13.645 11.362) 24.554 7.849 ( -0.247 -2.465 -2.658) 3.633 8.406 ( -2.176 -3.014 -2.095) 4.267 8.762 ( -1.491 -8.255 -11.175) 13.973 8.878 ( 38.900 2.922 -2.234) 39.074 9.092 ( -12.439 2.282 -10.730) 16.585 9.651 ( 1.096 8.407 -6.032) 10.404 9.756 ( 4.099 -2.772 0.814) 5.015 10.418 ( -1.652 4.772 6.709) 8.398 10.923 ( -10.024 12.867 -1.263) 16.359 11.146 ( 1.860 -4.454 -3.359) 5.881 11.485 ( -5.466 -12.256 4.622) 14.193 11.834 ( -17.939 3.909 -2.181) 18.489 12.744 ( 5.086 -7.250 -1.856) 9.048 12.984 ( -1.991 6.411 -4.860) 8.288 13.629 ( -3.718 1.068 1.818) 4.274 13.930 ( 2.295 -2.184 1.822) 3.655 14.913 ( 10.278 3.848 8.966) 14.171 15.252 ( -3.201 -22.629 -2.417) 22.982 17.705 ( 14.747 2.591 19.463) 24.556 18.845 ( -5.865 10.643 13.309) 18.022 19.257 ( -1.094 -4.366 -20.806) 21.288 20.412 ( -4.868 7.203 -2.107) 8.946 21.870 ( 1.576 -0.773 0.890) 1.969 22.942 ( -10.173 2.727 -9.560) 14.224 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.980 ( 13.314 -0.190 0.645) 13.331 5.087 ( 10.527 7.122 11.947) 17.444 5.423 ( -1.796 -0.658 9.489) 9.680 5.674 ( 18.596 -19.907 -4.552) 27.620 6.307 ( -11.917 -0.412 1.594) 12.030 6.622 ( -13.341 12.763 7.344) 19.870 7.837 ( 3.181 -5.735 -3.277) 7.331 8.225 ( -10.368 1.952 -11.268) 15.436 8.577 ( -6.007 -1.833 -7.744) 9.970 8.805 ( -8.605 0.076 -8.411) 12.034 9.528 ( 12.181 10.391 6.998) 17.473 9.778 ( 5.321 13.766 -11.609) 18.778 9.904 ( 23.444 -2.629 1.341) 23.629 10.507 ( 3.487 3.550 2.677) 5.651 10.658 ( -19.091 -1.934 -6.117) 20.140 11.098 ( -4.100 -13.991 9.453) 17.376 11.357 ( -0.274 -0.292 2.335) 2.369 11.744 ( -5.253 13.541 1.424) 14.594 12.642 ( -3.447 -13.903 -1.830) 14.441 12.958 ( -4.026 3.114 -5.598) 7.565 13.579 ( 1.617 -4.926 0.603) 5.219 14.031 ( 5.716 1.607 4.399) 7.389 14.892 ( -9.192 -10.499 4.479) 14.656 15.279 ( 19.187 -4.958 0.805) 19.833 17.942 ( -0.694 -4.491 18.986) 19.523 18.722 ( -7.889 -8.950 -7.931) 14.326 19.311 ( 6.745 17.846 -6.153) 20.046 20.433 ( -1.586 8.390 1.093) 8.609 21.913 ( 1.418 4.142 0.074) 4.378 22.698 ( -12.190 -3.170 -8.846) 15.391 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.244 ( 12.361 7.022 2.086) 14.369 5.191 ( -4.738 -2.989 5.912) 8.145 5.513 ( 1.899 3.529 12.635) 13.255 5.849 ( 22.468 -17.480 -4.332) 28.794 6.165 ( -2.834 -1.699 -1.036) 3.463 6.540 ( -8.389 4.782 1.399) 9.757 7.702 ( -7.011 -3.318 -5.310) 9.400 8.161 ( -2.783 2.270 -3.231) 4.831 8.398 ( -5.797 13.770 -15.928) 21.838 8.729 ( -0.139 -5.631 8.987) 10.607 9.600 ( -8.196 -1.344 8.667) 12.004 9.867 ( -3.834 5.035 -11.539) 13.160 10.144 ( -3.082 16.454 -10.996) 20.029 10.491 ( 4.144 2.698 -0.817) 5.012 10.728 ( 13.313 -0.615 7.366) 15.227 10.939 ( 2.150 -13.039 6.543) 14.747 11.437 ( 3.435 1.543 6.205) 7.258 11.865 ( 2.700 12.843 1.938) 13.266 12.394 ( -7.534 -12.826 -1.617) 14.962 12.819 ( -7.734 -4.001 -5.259) 10.173 13.621 ( 6.759 -4.584 1.833) 8.370 14.156 ( 5.142 -0.045 3.484) 6.211 14.698 ( -7.028 -4.945 2.082) 8.842 15.583 ( 23.322 -6.250 -0.234) 24.146 17.798 ( -16.409 -9.060 6.739) 19.919 18.535 ( -0.553 -4.268 -6.484) 7.783 19.568 ( 6.449 16.151 -4.444) 17.950 20.505 ( -2.302 7.065 5.748) 9.395 22.000 ( 1.708 9.375 -0.443) 9.540 22.395 ( -11.447 -8.242 -5.982) 15.322 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.469 ( 2.258 5.890 3.877) 7.404 5.095 ( -1.721 -6.974 -0.082) 7.183 5.538 ( -1.991 -7.804 3.793) 8.902 5.895 ( 4.291 -12.170 -11.779) 17.472 6.237 ( 5.531 12.576 1.768) 13.852 6.563 ( 10.481 -2.047 -0.423) 10.687 7.605 ( -6.550 7.559 4.242) 10.865 7.975 ( -6.219 -6.529 -6.580) 11.162 8.532 ( 3.094 16.693 -5.396) 17.814 8.748 ( -0.985 -6.433 16.282) 17.535 9.401 ( -10.776 -4.513 0.611) 11.699 9.737 ( -7.802 1.682 3.262) 8.622 10.238 ( -0.789 12.369 -9.421) 15.568 10.456 ( -6.397 -2.418 -1.068) 6.922 10.757 ( -5.138 1.366 0.276) 5.324 11.097 ( 8.121 -1.428 -3.136) 8.822 11.607 ( 14.450 -2.100 9.486) 17.413 12.078 ( 5.950 9.813 2.455) 11.736 12.234 ( -0.538 -1.552 2.699) 3.160 12.605 ( -6.843 -7.116 -4.083) 10.684 13.681 ( 4.085 -4.377 -0.575) 6.014 14.228 ( 1.464 -1.902 3.506) 4.249 14.603 ( -1.096 -0.038 -2.052) 2.326 15.903 ( 25.235 -11.644 -2.154) 27.875 17.446 ( -15.135 -6.501 -2.092) 16.604 18.493 ( -1.010 -0.218 0.306) 1.078 19.756 ( 5.088 12.770 -10.161) 17.094 20.509 ( -10.011 4.105 8.318) 13.648 22.097 ( -10.307 4.964 1.907) 11.598 22.181 ( 6.590 -2.310 -0.707) 7.019 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.416 ( -12.042 -2.749 3.370) 12.803 4.981 ( 1.790 -16.060 -8.289) 18.161 5.476 ( 3.364 -4.521 -3.001) 6.384 5.724 ( -1.353 -4.725 -13.700) 14.555 6.490 ( 2.308 15.920 5.436) 16.980 6.771 ( 12.599 5.687 -6.249) 15.170 7.645 ( -3.039 7.651 8.245) 11.651 7.893 ( 7.330 -6.216 2.674) 9.975 8.639 ( -0.228 2.884 -4.010) 4.944 8.695 ( -8.590 -8.538 20.946) 24.195 9.321 ( -2.705 5.736 2.961) 6.999 9.628 ( -8.461 -6.018 6.874) 12.452 10.178 ( -7.647 -3.374 -11.208) 13.981 10.288 ( -4.420 -0.894 2.898) 5.360 10.690 ( -6.679 13.858 -7.738) 17.220 11.130 ( 2.078 -0.965 -2.862) 3.667 11.912 ( 13.493 -0.455 6.843) 15.136 12.168 ( 1.758 2.435 0.292) 3.017 12.311 ( -8.675 4.628 4.191) 10.688 12.551 ( 12.749 0.580 0.597) 12.777 13.662 ( 0.453 -2.876 -4.385) 5.264 14.198 ( -4.637 -2.113 2.676) 5.756 14.638 ( 7.327 0.213 -6.253) 9.635 16.074 ( 10.753 -17.070 -2.977) 20.393 17.266 ( 3.872 -2.736 -5.314) 7.121 18.488 ( -1.851 2.179 3.608) 4.603 19.843 ( 1.587 8.256 -17.020) 18.983 20.373 ( -15.597 4.708 10.879) 19.591 21.954 ( -4.459 -6.246 4.576) 8.935 22.389 ( 6.928 10.454 6.083) 13.939 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.144 ( -12.707 -10.345 -0.561) 16.395 4.709 ( 0.964 -27.538 -16.174) 31.951 5.517 ( 1.724 4.727 -0.514) 5.058 5.658 ( 1.708 1.854 -8.192) 8.571 6.635 ( -2.339 9.454 4.405) 10.689 6.953 ( 2.700 17.556 -12.836) 21.915 7.763 ( 2.610 9.269 4.556) 10.653 8.086 ( 17.765 -13.258 9.564) 24.142 8.447 ( -7.715 -19.730 12.873) 24.789 8.711 ( -0.019 -0.812 6.478) 6.529 9.261 ( -15.504 8.549 3.464) 18.041 9.508 ( -2.067 -5.709 7.139) 9.372 9.898 ( -10.122 -3.294 -3.810) 11.306 10.434 ( 10.770 9.299 1.072) 14.269 10.680 ( -4.635 11.868 -7.689) 14.882 11.129 ( 1.151 -1.057 -2.776) 3.186 11.989 ( -5.854 1.774 -2.580) 6.639 12.141 ( -12.506 2.648 5.318) 13.845 12.354 ( 13.470 -1.103 4.734) 14.320 12.814 ( 8.871 5.806 2.325) 10.854 13.630 ( 1.739 1.007 -5.206) 5.580 14.090 ( -6.770 -2.035 1.066) 7.149 14.738 ( 10.706 -1.476 -10.058) 14.763 15.894 ( -10.815 -13.867 -0.494) 17.593 17.414 ( 22.518 -8.035 -13.053) 27.240 18.542 ( 1.620 4.429 7.620) 8.961 19.699 ( -13.100 1.716 -12.506) 18.192 20.329 ( -4.533 9.974 7.231) 13.127 21.880 ( -1.558 -5.991 5.005) 7.961 22.648 ( 5.520 10.941 10.865) 16.377 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.797 ( -10.704 -19.426 -5.237) 22.790 4.381 ( 7.514 -32.384 -16.576) 37.148 5.587 ( -3.110 10.906 2.056) 11.526 5.661 ( -1.375 1.697 -0.246) 2.198 6.697 ( -1.898 9.691 1.195) 9.947 7.059 ( -2.404 23.467 -14.964) 27.936 7.898 ( -1.148 5.892 -0.186) 6.006 8.037 ( 13.274 -48.188 7.677) 50.569 8.432 ( 4.430 0.984 4.122) 6.130 8.750 ( -0.591 2.443 9.021) 9.364 9.197 ( -9.808 15.143 10.236) 20.743 9.480 ( -0.348 -1.871 8.428) 8.640 9.779 ( -1.461 -0.825 -1.966) 2.585 10.596 ( -3.927 8.860 -9.694) 13.707 10.795 ( 10.633 7.083 7.044) 14.589 11.124 ( 2.526 -1.667 -3.083) 4.320 11.761 ( -14.858 -4.587 -4.574) 16.209 12.077 ( -8.296 12.946 5.315) 16.269 12.581 ( 10.147 -2.324 4.430) 11.313 12.934 ( 0.436 4.056 2.304) 4.685 13.694 ( 3.429 5.943 -2.769) 7.399 13.966 ( -5.666 -1.938 0.130) 5.990 14.820 ( 9.855 -3.493 -12.680) 16.435 15.525 ( -19.524 -8.530 0.859) 21.323 17.575 ( 19.981 -13.796 -20.114) 31.530 18.749 ( 11.229 5.675 10.060) 16.109 19.382 ( -19.496 0.906 -2.262) 19.648 20.437 ( 1.368 9.654 1.900) 9.934 21.836 ( -0.227 -5.759 3.000) 6.498 22.896 ( 2.765 11.144 12.950) 17.307 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( -5.398 -28.507 -8.724) 30.297 4.134 ( 11.702 -38.357 -9.683) 41.255 5.634 ( -4.860 8.980 -3.288) 10.727 5.667 ( -4.127 10.029 10.741) 15.263 6.774 ( -0.885 10.582 -2.026) 10.810 7.184 ( 3.217 20.234 -12.123) 23.806 7.698 ( -6.277 -19.579 2.279) 20.687 8.043 ( 16.893 -23.256 -2.181) 28.826 8.462 ( 0.436 -0.295 -3.858) 3.894 8.803 ( -6.255 5.229 11.723) 14.279 9.295 ( -6.655 15.271 13.907) 21.700 9.669 ( 14.824 4.161 10.114) 18.422 9.756 ( 3.005 0.199 -9.341) 9.815 10.524 ( -4.289 2.371 -5.787) 7.583 10.954 ( -5.798 -2.483 14.384) 15.706 11.216 ( 10.736 5.285 -7.917) 14.348 11.447 ( -13.355 -3.404 -0.526) 13.792 12.153 ( -2.274 14.772 3.554) 15.363 12.608 ( -5.256 -3.087 1.512) 6.280 13.064 ( 7.441 6.133 5.016) 10.869 13.725 ( -7.471 5.309 1.322) 9.260 13.908 ( -0.055 0.373 -2.144) 2.177 14.840 ( 6.434 -5.114 -9.551) 12.600 15.150 ( -16.765 -3.398 -2.974) 17.362 17.567 ( 11.252 -15.373 -20.058) 27.663 19.079 ( -15.185 3.522 -2.324) 15.760 19.106 ( 14.351 2.290 14.227) 20.337 20.545 ( 0.446 6.920 0.978) 7.003 21.799 ( 1.855 -6.000 -0.395) 6.293 23.097 ( -1.081 12.009 11.680) 16.787 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -0.000 0.000 42.798) 42.798 2.421 ( -0.000 0.000 42.798) 42.798 4.263 ( -0.000 0.000 70.171) 70.171 6.586 ( 0.000 -0.000 -2.772) 2.772 6.790 ( 0.000 0.000 -26.904) 26.904 6.790 ( 0.000 0.000 -26.904) 26.904 8.306 ( 0.000 -0.000 -16.586) 16.586 8.502 ( 0.000 0.000 -6.985) 6.985 8.502 ( 0.000 0.000 -6.985) 6.985 9.226 ( -0.000 0.000 7.644) 7.644 9.226 ( -0.000 0.000 7.644) 7.644 10.211 ( -0.000 0.000 14.494) 14.494 10.211 ( 0.000 -0.000 14.494) 14.494 10.726 ( 0.000 -0.000 -23.951) 23.951 10.889 ( -0.000 0.000 9.259) 9.259 10.889 ( 0.000 0.000 9.259) 9.259 11.048 ( 0.000 -0.000 -3.345) 3.345 12.538 ( 0.000 0.000 -13.305) 13.305 12.538 ( 0.000 0.000 -13.305) 13.305 12.690 ( 0.000 -0.000 -1.108) 1.108 14.343 ( -0.000 0.000 1.063) 1.063 14.343 ( 0.000 0.000 1.063) 1.063 14.875 ( -0.000 0.000 7.529) 7.529 16.871 ( -0.000 0.000 16.386) 16.386 16.871 ( -0.000 0.000 16.386) 16.386 18.054 ( 0.000 -0.000 -3.254) 3.254 18.900 ( 0.000 0.000 -12.914) 12.914 18.900 ( 0.000 0.000 -12.914) 12.914 21.214 ( -0.000 0.000 3.482) 3.482 23.003 ( -0.000 0.000 0.159) 0.159 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -5.357 12.697 39.060) 41.420 3.082 ( 26.158 6.440 38.718) 47.167 4.818 ( 14.758 6.630 59.538) 61.697 6.354 ( -7.905 -12.197 -17.259) 22.564 6.514 ( -10.940 6.199 -13.129) 18.179 6.857 ( 11.280 2.137 -22.492) 25.252 8.053 ( -9.905 -5.952 -11.071) 16.003 8.487 ( 9.673 -10.906 -7.074) 16.204 8.649 ( 1.706 14.942 -9.660) 17.874 9.238 ( 2.706 0.998 6.429) 7.046 9.349 ( 0.458 3.501 6.652) 7.531 9.791 ( -26.698 -11.991 11.397) 31.408 10.374 ( 0.980 -30.679 8.511) 31.853 10.496 ( -5.261 0.344 -14.184) 15.133 10.667 ( -6.455 14.613 7.049) 17.461 11.120 ( -0.990 12.236 -4.842) 13.196 11.440 ( 23.206 6.442 3.464) 24.331 12.198 ( -17.389 1.622 -7.844) 19.145 12.540 ( 10.904 -11.626 -6.034) 17.044 12.928 ( 10.038 15.006 -8.934) 20.143 14.210 ( -7.509 -7.731 1.962) 10.955 14.354 ( -6.531 3.005 1.118) 7.276 14.895 ( -0.645 0.835 5.559) 5.658 16.749 ( -21.351 10.281 20.851) 31.565 16.983 ( 13.232 -22.794 19.664) 32.883 18.345 ( 2.393 9.250 -16.673) 19.217 18.817 ( 23.494 4.529 -16.090) 28.833 19.053 ( 11.211 8.611 -11.725) 18.366 21.249 ( 1.255 0.784 3.455) 3.759 23.023 ( 1.671 1.110 -1.982) 2.820 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 0.320 20.096 30.596) 36.607 3.768 ( 20.755 7.377 36.262) 42.428 5.449 ( 15.314 6.069 20.971) 26.667 6.131 ( 3.159 -6.652 -1.816) 7.585 6.324 ( -9.945 7.423 -6.861) 14.180 6.901 ( 8.051 -1.193 -17.280) 19.101 7.808 ( -4.313 -7.099 -5.747) 10.101 8.494 ( 8.777 -14.012 -3.924) 16.993 8.611 ( -13.154 6.642 -3.894) 15.242 9.165 ( -13.123 -7.948 -0.416) 15.348 9.363 ( -8.209 -2.336 9.138) 12.504 9.579 ( 2.219 9.923 3.880) 10.884 10.169 ( 3.162 -16.767 -4.558) 17.661 10.288 ( -10.499 1.068 -3.268) 11.047 10.832 ( 8.458 -4.656 4.106) 10.492 11.073 ( -8.094 11.414 -10.243) 17.341 11.722 ( -3.214 6.229 -4.400) 8.276 12.013 ( -1.593 4.978 1.651) 5.482 12.642 ( 14.050 -6.413 -0.209) 15.446 13.101 ( 1.782 9.365 -7.183) 11.936 14.000 ( -10.530 -7.290 3.134) 13.186 14.236 ( -10.626 3.656 2.787) 11.578 14.956 ( 1.184 4.572 2.343) 5.272 16.654 ( -17.881 7.306 22.911) 29.967 17.157 ( 20.256 -23.397 19.499) 36.578 18.134 ( -9.921 -0.508 -17.285) 19.936 19.203 ( 12.647 14.161 -15.350) 24.416 19.347 ( 26.426 5.774 -18.190) 32.597 21.320 ( 3.784 1.619 3.393) 5.334 23.031 ( 0.465 0.444 -5.417) 5.455 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( 4.065 18.731 21.035) 28.458 4.349 ( 15.026 9.161 34.144) 38.412 5.585 ( 5.371 0.372 -15.891) 16.778 6.010 ( -12.501 -2.937 1.415) 12.919 6.426 ( -0.038 6.141 1.689) 6.369 6.940 ( 11.527 -8.784 -10.480) 17.885 7.807 ( 9.998 0.923 11.114) 14.978 8.255 ( -17.067 -8.031 -1.173) 18.899 8.549 ( 8.542 -9.003 -3.557) 12.910 8.995 ( -3.976 3.545 -0.734) 5.377 9.194 ( -11.456 -4.725 9.527) 15.631 9.675 ( -9.868 13.177 -6.233) 17.603 10.074 ( 4.573 -2.943 -9.557) 10.996 10.232 ( 3.795 -5.251 5.286) 8.362 10.748 ( -0.482 -11.250 -17.517) 20.824 11.137 ( 1.499 9.388 7.753) 12.268 11.574 ( -10.014 5.855 -8.736) 14.522 12.061 ( -6.128 5.155 3.123) 8.595 12.823 ( 12.397 -6.228 -1.351) 13.939 13.102 ( -2.507 1.621 -0.170) 2.990 13.775 ( -12.257 -3.274 2.766) 12.985 14.159 ( -6.292 5.060 3.898) 8.966 15.017 ( -0.285 3.875 0.219) 3.892 16.518 ( -19.463 1.436 17.451) 26.180 17.439 ( 24.811 -20.619 19.721) 37.811 17.916 ( -6.041 1.046 -8.799) 10.725 19.398 ( 5.511 15.141 -15.275) 22.202 19.653 ( 19.235 2.313 -17.300) 25.973 21.450 ( 7.297 2.454 2.922) 8.234 22.976 ( -1.710 -1.025 -7.749) 8.001 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( 6.309 15.389 12.443) 20.772 4.851 ( 11.850 9.014 29.320) 32.884 5.513 ( -9.794 1.269 -10.744) 14.593 5.874 ( 4.584 -4.275 2.178) 6.635 6.332 ( -8.412 -2.372 -2.810) 9.181 6.784 ( -8.501 -14.570 -7.575) 18.492 7.969 ( -3.671 -4.122 -9.192) 10.722 8.250 ( 17.936 11.692 8.058) 22.876 8.574 ( 5.423 -10.110 -0.518) 11.484 8.908 ( -9.188 -1.423 3.791) 10.041 9.242 ( 10.270 7.369 11.246) 16.919 9.501 ( -13.353 9.105 -10.687) 19.376 10.097 ( 2.909 -0.532 -6.840) 7.452 10.306 ( 6.758 -3.053 -0.875) 7.467 10.504 ( -5.160 -9.460 -11.904) 16.057 11.279 ( 4.388 -2.736 6.128) 8.018 11.459 ( -7.371 10.524 -5.363) 13.923 11.951 ( -13.567 7.717 2.118) 15.752 12.850 ( 4.168 -7.590 -7.902) 11.722 13.105 ( 0.032 -3.673 4.900) 6.124 13.595 ( -7.965 -2.236 4.322) 9.334 14.138 ( -5.308 5.160 2.273) 7.744 15.015 ( -1.188 -1.565 -0.296) 1.987 16.253 ( -22.688 2.088 7.680) 24.043 17.734 ( 15.866 -25.076 17.316) 34.357 17.920 ( 7.995 8.422 6.997) 13.558 19.470 ( -0.334 11.801 -17.330) 20.969 19.865 ( 14.004 4.270 -11.303) 18.496 21.629 ( 8.573 3.446 2.107) 9.477 22.877 ( -1.995 -1.820 -8.994) 9.390 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.919 ( 5.037 12.331 5.021) 14.235 5.147 ( -11.066 -7.480 5.169) 14.322 5.287 ( -0.867 6.567 19.055) 20.173 5.984 ( -1.177 -13.230 -4.265) 13.950 6.157 ( 4.502 -0.377 6.053) 7.553 6.548 ( -4.769 3.329 -2.152) 6.201 7.846 ( -0.859 -1.142 -13.233) 13.310 8.501 ( -2.852 -4.534 0.499) 5.379 8.605 ( 9.518 9.744 -2.542) 13.856 8.852 ( 4.676 -2.051 -4.930) 7.098 9.330 ( -8.083 3.843 -11.615) 14.663 9.592 ( 6.435 5.810 11.970) 14.780 10.056 ( -3.098 -4.077 -9.065) 10.411 10.181 ( -1.914 -8.943 -4.080) 10.014 10.481 ( 7.263 1.618 3.712) 8.316 11.220 ( -0.470 -10.774 -4.034) 11.515 11.534 ( -1.139 15.060 7.302) 16.776 11.877 ( -9.044 14.912 0.188) 17.441 12.783 ( 3.608 -9.047 -8.125) 12.683 13.035 ( -4.288 -5.596 0.190) 7.053 13.535 ( -0.625 -2.951 6.255) 6.944 14.094 ( -6.017 3.893 -0.011) 7.167 14.952 ( -0.781 -8.672 2.050) 8.945 15.949 ( -23.044 9.113 1.888) 24.852 17.750 ( 4.034 -21.023 17.355) 27.558 18.291 ( 17.891 1.814 12.422) 21.856 19.431 ( -4.442 10.380 -14.988) 18.765 20.065 ( 11.278 5.470 -7.155) 14.433 21.802 ( 6.022 4.264 1.035) 7.450 22.792 ( 1.281 -1.463 -9.997) 10.185 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.022 ( -7.467 5.972 0.222) 9.564 4.806 ( -18.084 -14.098 13.002) 26.360 5.468 ( 0.290 1.521 10.732) 10.843 5.703 ( -2.744 -10.033 -3.559) 10.993 6.473 ( 13.194 8.492 5.957) 16.783 6.630 ( 5.257 11.789 5.539) 14.047 7.793 ( 3.798 0.873 -7.042) 8.048 8.443 ( 1.239 -2.679 -3.339) 4.457 8.729 ( 2.201 -5.056 -0.748) 5.565 8.872 ( -7.085 -3.145 -19.336) 20.832 9.060 ( -9.160 1.705 -6.914) 11.602 9.576 ( -5.986 1.021 -5.157) 7.966 9.835 ( -6.110 -2.312 -1.713) 6.754 10.341 ( 11.806 0.647 11.098) 16.217 10.662 ( 12.241 -1.248 -2.347) 12.526 11.134 ( 0.516 -3.799 -0.101) 3.835 11.724 ( -0.198 12.756 8.180) 15.155 11.905 ( -4.367 17.557 -4.070) 18.544 12.691 ( 2.741 -12.286 -7.381) 14.592 12.926 ( -1.313 -2.581 -2.085) 3.569 13.580 ( 4.074 -1.487 5.612) 7.093 14.024 ( -5.899 3.231 -0.783) 6.772 14.865 ( -0.160 -12.683 6.962) 14.470 15.706 ( -20.503 14.188 -0.351) 24.936 17.692 ( 0.878 -23.241 19.629) 30.434 18.614 ( 14.746 -2.808 3.230) 15.354 19.376 ( -7.265 13.955 -6.998) 17.219 20.255 ( 10.062 4.615 -3.848) 11.720 21.891 ( 0.012 2.549 -0.655) 2.632 22.792 ( 7.380 0.479 -11.326) 13.527 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 15.261 8.057 38.403) 42.102 3.268 ( -10.125 21.790 36.591) 43.775 5.150 ( -0.894 9.505 55.967) 56.775 6.181 ( -4.010 -15.481 -25.140) 29.796 6.487 ( 10.057 -5.023 -7.075) 13.283 6.705 ( -6.644 9.962 -19.365) 22.768 8.038 ( 0.994 -4.612 -10.784) 11.771 8.369 ( -6.511 -4.015 -5.914) 9.669 8.686 ( 3.802 21.451 -12.235) 24.986 9.262 ( 0.310 -2.025 8.687) 8.925 9.398 ( 1.587 2.417 8.465) 8.945 9.978 ( 9.947 -23.837 11.399) 28.232 10.214 ( -21.859 -22.460 10.200) 32.959 10.286 ( 1.246 -11.803 -21.994) 24.992 10.831 ( 4.359 -2.299 -3.252) 5.905 11.164 ( 12.079 17.089 10.233) 23.294 11.460 ( -5.901 22.501 -1.794) 23.331 12.168 ( 10.270 -12.206 -7.033) 17.434 12.484 ( -14.872 5.010 -10.210) 18.722 12.873 ( 6.928 13.604 -4.305) 15.862 14.242 ( -4.093 -7.734 1.224) 8.836 14.365 ( 6.614 -2.019 0.658) 6.946 14.900 ( 1.419 -4.437 5.429) 7.154 16.703 ( 5.297 -23.549 20.389) 31.596 17.285 ( -12.579 12.615 20.861) 27.433 18.385 ( 13.561 23.002 -12.502) 29.484 18.571 ( -13.230 -0.071 -18.443) 22.698 18.987 ( 1.429 15.292 -12.569) 19.846 21.275 ( 0.030 2.335 3.165) 3.933 22.999 ( 0.069 -1.228 -1.220) 1.732 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( -5.281 26.905 29.068) 39.959 3.698 ( 20.698 10.919 32.843) 40.328 5.537 ( -1.890 6.283 25.084) 25.928 5.912 ( 8.949 -9.263 -7.782) 15.048 6.491 ( -4.336 -1.711 0.226) 4.667 6.633 ( 5.647 4.515 -21.127) 22.330 7.882 ( -9.260 -2.320 -1.737) 9.703 8.265 ( 3.134 -7.354 -5.119) 9.493 8.803 ( -3.331 12.817 -8.883) 15.946 9.266 ( -5.939 -7.703 2.565) 10.059 9.477 ( -5.176 0.373 3.034) 6.011 9.663 ( -7.579 -10.601 10.678) 16.848 9.955 ( 1.816 -14.464 -0.028) 14.577 10.216 ( 10.672 -11.804 -8.695) 18.134 10.764 ( -4.678 -3.961 -3.018) 6.833 11.251 ( -9.861 8.811 -7.084) 15.002 11.822 ( 10.821 19.106 6.502) 22.900 12.128 ( -4.927 -0.178 -5.574) 7.442 12.343 ( 6.319 -3.599 -3.674) 8.147 13.093 ( 5.593 10.482 -5.748) 13.199 14.075 ( -6.176 -8.435 2.751) 10.810 14.410 ( -2.342 2.533 -1.039) 3.603 14.943 ( 3.578 -1.474 4.159) 5.680 16.724 ( 12.065 -27.668 20.741) 36.623 17.236 ( -20.868 14.085 21.438) 33.067 18.232 ( -13.112 1.624 -18.989) 23.133 18.838 ( 23.843 15.155 -15.414) 32.183 19.162 ( 9.000 16.632 -11.616) 22.193 21.328 ( 0.970 3.432 2.978) 4.646 22.976 ( 0.928 -3.382 -3.098) 4.680 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.654 ( -7.055 22.666 20.329) 31.254 4.363 ( 20.663 12.741 29.208) 37.979 5.439 ( -3.190 -1.736 -13.665) 14.140 6.124 ( 1.944 -0.760 0.776) 2.227 6.448 ( 2.341 2.135 5.503) 6.350 6.664 ( 6.652 -1.367 -12.002) 13.790 7.785 ( -0.305 0.893 11.341) 11.380 8.237 ( 4.138 -8.618 -3.476) 10.173 8.612 ( -19.792 -10.064 4.180) 22.594 9.064 ( -1.414 2.903 -6.997) 7.706 9.277 ( -7.324 -12.105 2.479) 14.363 9.823 ( 7.776 6.863 5.122) 11.568 9.915 ( 0.491 0.773 -7.130) 7.188 10.222 ( 2.838 -4.981 0.295) 5.741 10.559 ( -4.860 -11.514 -9.129) 15.477 11.169 ( -1.779 6.427 -9.141) 11.314 11.848 ( -14.027 7.820 -1.412) 16.121 12.222 ( 0.217 10.501 6.014) 12.103 12.479 ( 16.956 -8.667 -3.578) 19.376 13.126 ( -2.543 -1.320 -3.429) 4.469 13.936 ( -7.192 -3.528 4.036) 8.970 14.350 ( -7.550 7.007 -2.024) 10.497 15.001 ( 2.489 -2.370 0.612) 3.491 16.802 ( 10.125 -27.031 22.242) 36.440 17.166 ( -12.379 10.223 14.516) 21.644 17.996 ( -6.988 4.530 -10.328) 13.267 19.199 ( 17.970 7.286 -16.326) 25.349 19.434 ( 10.709 19.045 -10.579) 24.276 21.416 ( 3.325 4.234 3.155) 6.240 22.916 ( -0.068 -5.439 -5.439) 7.693 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.866 ( -2.826 18.879 12.824) 22.997 4.937 ( 11.943 11.191 29.522) 33.755 5.376 ( 8.830 2.249 -18.814) 20.905 5.964 ( -12.545 -2.982 -0.450) 12.902 6.437 ( -7.369 -4.144 -4.427) 9.543 6.664 ( 2.465 -4.846 -4.113) 6.817 7.981 ( -3.517 -10.607 -0.610) 11.192 8.114 ( 8.618 2.795 8.793) 12.626 8.415 ( 3.455 -3.849 5.351) 7.442 9.025 ( -3.210 -17.366 0.469) 17.667 9.179 ( 2.846 11.394 -0.411) 11.752 9.790 ( -14.510 10.594 -8.024) 19.677 9.997 ( 7.511 -4.396 2.172) 8.970 10.219 ( -1.051 3.742 -7.363) 8.326 10.400 ( 2.952 -5.545 -4.755) 7.878 11.167 ( 2.457 -0.760 -6.899) 7.363 11.730 ( -10.182 10.190 3.422) 14.806 12.251 ( -9.833 7.929 3.835) 13.201 12.582 ( 10.042 -11.530 -8.145) 17.324 13.032 ( 0.618 -10.686 1.628) 10.827 13.789 ( -11.226 -0.066 3.976) 11.909 14.296 ( -6.272 7.634 -2.778) 10.263 14.967 ( 0.046 -7.547 -2.204) 7.862 16.694 ( -16.188 -5.238 13.956) 22.006 17.276 ( 15.140 -13.459 11.338) 23.214 17.991 ( 0.970 8.680 4.301) 9.735 19.383 ( 9.470 3.783 -12.823) 16.384 19.728 ( 9.029 20.464 -10.086) 24.536 21.561 ( 6.447 5.119 3.143) 8.812 22.808 ( -1.090 -6.851 -7.345) 10.103 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.073 ( -0.660 17.437 6.485) 18.616 5.196 ( 0.672 -2.145 7.786) 8.104 5.541 ( -2.638 8.128 8.284) 11.901 5.802 ( 4.890 -2.903 -3.801) 6.840 6.174 ( -9.352 -9.041 0.247) 13.010 6.615 ( -2.061 -1.248 3.406) 4.172 7.760 ( -1.685 -3.834 -11.642) 12.372 8.367 ( 10.159 -6.941 -2.173) 12.494 8.556 ( 6.598 1.019 6.004) 8.979 8.817 ( -5.653 -1.624 -1.757) 6.138 9.295 ( 4.137 -2.715 -9.460) 10.676 9.736 ( -2.385 13.815 10.246) 17.365 9.993 ( 1.140 -6.221 -11.073) 12.752 10.171 ( -4.966 5.408 -4.636) 8.684 10.448 ( 2.228 4.159 1.904) 5.088 11.122 ( 0.083 -5.628 -2.816) 6.294 11.753 ( -3.957 11.968 6.561) 14.210 12.159 ( -10.566 9.622 1.026) 14.328 12.532 ( 6.892 -14.212 -10.244) 18.826 12.943 ( 1.462 -15.174 0.796) 15.265 13.649 ( -8.611 0.830 5.626) 10.319 14.235 ( -6.556 5.871 -3.991) 9.663 14.862 ( 0.114 -11.214 -0.921) 11.252 16.425 ( -21.402 3.507 6.481) 22.635 17.426 ( 14.707 -23.067 11.267) 29.586 18.209 ( 7.957 9.135 8.822) 14.986 19.467 ( 3.631 4.520 -4.592) 7.396 19.983 ( 5.882 19.290 -9.490) 22.288 21.751 ( 7.348 6.467 2.119) 10.015 22.676 ( 0.012 -7.617 -9.052) 11.830 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.215 ( -4.555 13.833 0.388) 14.569 5.058 ( -14.157 -8.211 6.908) 17.764 5.568 ( -1.483 0.217 15.174) 15.248 5.640 ( -9.343 -13.072 -2.549) 16.269 6.337 ( 17.662 9.462 3.566) 20.352 6.675 ( 3.837 4.705 6.901) 9.191 7.694 ( 2.980 1.757 -12.348) 12.823 8.282 ( 0.891 -17.437 -4.612) 18.058 8.640 ( 4.480 -5.833 3.400) 8.103 8.823 ( -1.183 9.672 -15.777) 18.543 9.224 ( -3.830 6.480 -10.737) 13.112 9.738 ( -13.600 -0.930 -7.768) 15.690 9.932 ( -4.459 4.088 7.668) 9.767 10.202 ( 8.483 3.072 5.669) 10.656 10.527 ( 3.564 2.238 -0.901) 4.304 11.098 ( 1.683 -1.458 3.290) 3.973 11.876 ( 0.099 11.268 5.379) 12.487 12.132 ( -5.948 12.625 -2.570) 14.191 12.435 ( 5.874 -15.640 -8.376) 18.689 12.820 ( 2.724 -13.367 -2.221) 13.821 13.600 ( -2.759 0.290 6.940) 7.474 14.154 ( -6.289 4.872 -3.427) 8.662 14.766 ( 1.248 -12.180 3.654) 12.777 16.153 ( -19.877 4.975 2.894) 20.693 17.461 ( 8.867 -24.465 12.177) 28.730 18.444 ( 7.684 4.349 0.551) 8.847 19.567 ( 0.284 8.581 7.283) 11.259 20.175 ( 4.491 15.080 -8.657) 17.958 21.909 ( 2.247 5.854 -0.575) 6.297 22.586 ( 5.671 -6.265 -10.530) 13.502 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 5.385 7.584 35.060) 36.273 3.891 ( -13.434 17.679 33.279) 40.006 5.520 ( -0.729 3.761 15.042) 15.523 6.056 ( -11.107 -5.840 -4.115) 13.207 6.262 ( 7.463 -2.927 -2.102) 8.288 6.813 ( -6.518 9.923 -12.999) 17.605 7.901 ( 5.723 1.698 -4.825) 7.676 8.364 ( -5.576 -9.166 -9.610) 14.404 8.774 ( 6.369 18.385 -7.237) 20.759 9.315 ( -4.419 -2.616 4.412) 6.770 9.362 ( 11.724 -4.989 7.403) 14.736 9.602 ( 10.886 -16.732 11.867) 23.223 10.027 ( -1.423 -13.272 -19.165) 23.356 10.404 ( -10.164 -14.104 3.871) 17.810 10.702 ( -1.977 -2.765 -0.129) 3.402 11.136 ( 14.492 12.848 -1.913) 19.461 11.707 ( 2.756 7.070 -2.218) 7.906 11.944 ( -2.939 -3.742 1.451) 4.974 12.667 ( -7.627 9.147 -11.074) 16.263 12.934 ( -3.852 3.765 1.392) 5.563 14.149 ( 12.569 -8.296 2.529) 15.271 14.216 ( 0.156 -6.745 2.847) 7.323 14.868 ( -1.025 -5.375 2.914) 6.199 16.621 ( -1.456 -16.610 21.474) 27.187 17.665 ( 1.271 22.427 22.775) 31.988 18.114 ( 12.175 -1.901 -16.667) 20.728 18.851 ( -16.590 7.223 -19.328) 26.475 19.181 ( -13.277 22.819 -16.576) 31.173 21.333 ( -1.410 4.301 2.868) 5.359 22.975 ( -0.903 -3.451 -2.810) 4.541 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.560 ( 21.724 18.275 30.018) 41.316 4.020 ( -12.485 15.869 24.492) 31.742 5.618 ( 8.799 -7.518 -10.417) 15.571 5.857 ( -11.181 7.165 12.545) 18.268 6.337 ( 7.236 -4.475 -0.632) 8.531 6.713 ( -8.681 8.226 -7.971) 14.373 7.965 ( -0.454 3.778 2.443) 4.522 8.165 ( -2.510 -8.476 -5.729) 10.534 8.900 ( -2.181 10.923 -11.777) 16.210 9.253 ( -1.472 -11.328 3.984) 12.098 9.529 ( 4.691 -1.175 6.312) 7.951 9.664 ( 6.047 -16.546 9.028) 19.795 9.842 ( 6.101 -5.705 -18.007) 19.850 9.934 ( -16.707 -14.963 9.646) 24.414 10.696 ( 1.938 -2.792 -11.190) 11.695 11.465 ( 3.981 6.276 -0.902) 7.487 11.763 ( -0.566 5.349 -2.226) 5.821 11.990 ( 11.854 2.708 5.163) 13.210 12.474 ( -13.096 4.532 -9.482) 16.792 13.061 ( 6.693 8.296 -0.118) 10.660 14.090 ( -4.715 -9.247 1.241) 10.454 14.304 ( 11.122 -5.514 1.841) 12.550 14.894 ( 4.046 -0.776 3.285) 5.270 16.536 ( -2.379 -19.927 19.644) 28.083 17.836 ( -16.346 16.873 21.590) 31.906 18.221 ( 5.168 -3.537 -12.703) 14.163 18.678 ( 1.782 17.659 -20.972) 27.474 19.177 ( -0.248 20.400 -13.901) 24.687 21.381 ( -0.433 5.250 2.293) 5.746 22.907 ( -0.005 -6.211 -1.916) 6.500 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.061 ( -6.907 7.329 10.995) 14.910 4.289 ( 20.725 22.339 22.334) 37.780 5.516 ( -8.509 2.860 -5.393) 10.472 5.984 ( 9.425 4.063 -3.442) 10.825 6.429 ( 7.463 -4.099 3.977) 9.398 6.596 ( -6.047 3.274 -4.497) 8.216 7.933 ( -8.144 -2.086 6.449) 10.596 8.113 ( 3.212 0.089 3.141) 4.493 8.766 ( -7.228 -13.402 -5.050) 16.043 9.004 ( -10.747 -20.235 0.732) 22.923 9.389 ( -9.091 5.657 -4.243) 11.518 9.700 ( 6.989 -6.045 7.797) 12.090 9.905 ( 11.281 -2.449 -9.032) 14.658 9.985 ( 9.968 5.479 7.354) 13.545 10.536 ( -6.304 -9.563 -10.799) 15.742 11.345 ( -14.976 10.638 -7.186) 19.725 11.888 ( 13.346 -8.527 -4.171) 16.378 12.264 ( -7.573 0.086 -6.345) 9.880 12.303 ( 9.093 10.050 9.417) 16.503 13.148 ( -2.943 0.139 -2.372) 3.782 13.978 ( -0.971 -5.205 2.380) 5.805 14.405 ( 4.740 -1.743 -1.767) 5.350 14.962 ( 0.710 1.793 -0.643) 2.033 16.445 ( 6.165 -26.481 18.274) 32.760 17.780 ( -24.962 15.529 20.644) 35.923 18.083 ( -5.719 4.662 -12.384) 14.415 18.905 ( 16.354 10.963 -16.023) 25.385 19.389 ( 10.074 20.444 -10.194) 24.967 21.447 ( 0.787 5.595 2.404) 6.141 22.827 ( -0.139 -8.108 -2.376) 8.450 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.101 ( -0.423 6.931 4.151) 8.091 4.927 ( 19.861 19.069 13.289) 30.572 5.368 ( -11.713 5.646 -0.933) 13.037 6.041 ( -0.664 1.047 -12.260) 12.322 6.442 ( -3.931 -1.987 -0.777) 4.473 6.619 ( 4.545 -0.879 3.429) 5.761 7.855 ( 2.038 -6.834 1.090) 7.214 8.149 ( -5.633 -11.307 8.846) 15.422 8.448 ( -7.265 -5.822 7.067) 11.688 8.771 ( 5.914 -15.558 -3.255) 16.960 9.364 ( -6.517 11.160 0.056) 12.923 9.788 ( 7.630 -4.090 -4.554) 9.782 9.985 ( -1.029 2.510 -5.612) 6.233 10.247 ( 2.087 4.571 -1.273) 5.184 10.273 ( 3.609 -4.557 2.219) 6.222 11.198 ( -8.801 9.971 -10.333) 16.842 11.931 ( -0.534 -0.691 1.226) 1.505 12.172 ( 7.013 -9.992 -8.061) 14.629 12.520 ( -0.343 6.517 6.962) 9.542 12.970 ( -7.882 -10.375 -1.922) 13.170 13.935 ( -3.868 -2.389 2.939) 5.413 14.413 ( -1.466 3.089 -5.227) 6.246 14.906 ( -4.428 -2.722 -5.181) 7.339 16.477 ( 16.056 -30.090 17.125) 38.163 17.560 ( -26.829 15.287 6.694) 31.596 18.085 ( 0.569 8.131 4.321) 9.225 19.155 ( 13.952 5.344 -10.801) 18.435 19.728 ( 11.392 23.151 -8.627) 27.206 21.551 ( 3.415 5.829 3.106) 7.436 22.715 ( -1.436 -9.221 -3.459) 9.953 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.235 ( 3.930 9.331 2.497) 10.428 5.238 ( -5.912 4.200 -7.124) 10.165 5.477 ( 18.268 13.658 10.266) 25.013 5.892 ( -10.253 -0.769 -2.712) 10.634 6.269 ( -10.892 -5.496 -2.568) 12.467 6.660 ( -1.313 -2.611 8.675) 9.154 7.707 ( -6.053 -9.829 -5.271) 12.690 8.114 ( 11.516 -6.981 2.279) 13.658 8.391 ( 4.153 -15.014 -0.613) 15.590 8.901 ( 7.759 9.080 9.444) 15.227 9.263 ( -12.041 1.366 -7.364) 14.181 9.805 ( 6.047 -4.792 -10.013) 12.641 9.895 ( -1.764 2.453 0.287) 3.035 10.285 ( 0.286 6.838 2.114) 7.163 10.502 ( 4.270 11.223 4.848) 12.949 11.101 ( -4.106 3.734 -7.717) 9.506 11.934 ( -2.652 5.456 3.084) 6.805 12.150 ( 10.693 -16.870 -8.081) 21.546 12.458 ( -14.266 4.834 -0.514) 15.071 12.777 ( 0.197 -15.298 1.347) 15.359 13.829 ( -8.055 -1.810 3.850) 9.109 14.360 ( -5.016 5.026 -7.265) 10.159 14.758 ( -2.479 -7.674 -3.976) 8.991 16.512 ( 8.550 -28.570 12.805) 32.455 17.350 ( -15.309 10.725 2.024) 18.801 18.253 ( 3.822 8.519 8.417) 12.571 19.353 ( 10.890 2.829 -1.661) 11.374 20.060 ( 6.652 24.389 -8.499) 26.670 21.712 ( 6.641 6.706 2.990) 9.900 22.564 ( -2.548 -10.010 -4.871) 11.420 ======================= Grid point 510 (253/294) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.388 ( 0.795 10.828 -0.643) 10.876 5.147 ( -4.090 -1.984 -2.404) 5.143 5.659 ( -8.365 -4.664 -3.916) 10.347 5.803 ( -8.751 -1.211 15.327) 17.691 6.156 ( 10.906 4.969 1.726) 12.108 6.679 ( 2.147 -3.420 8.031) 8.989 7.587 ( 2.281 1.221 -10.336) 10.655 8.094 ( -1.753 -16.548 -1.812) 16.739 8.461 ( 13.873 -2.947 1.843) 14.302 8.966 ( -13.706 5.696 -14.241) 20.570 9.179 ( 6.774 7.346 1.174) 10.061 9.772 ( -1.120 0.130 -12.107) 12.160 10.023 ( 8.120 2.540 12.335) 14.984 10.319 ( -6.457 7.975 2.526) 10.567 10.599 ( -6.486 9.732 -0.618) 11.711 11.087 ( 1.926 1.091 2.541) 3.370 11.956 ( 0.926 -1.248 -2.878) 3.271 12.125 ( 8.465 -11.347 -3.023) 14.476 12.292 ( -5.928 4.384 -4.457) 8.615 12.646 ( -1.066 -12.804 0.592) 12.862 13.717 ( -6.085 -1.685 5.093) 8.112 14.272 ( -5.544 4.349 -6.274) 9.435 14.655 ( 0.718 -8.522 0.587) 8.572 16.354 ( -4.740 -21.483 6.938) 23.068 17.282 ( -3.067 0.901 3.327) 4.614 18.421 ( 3.166 5.848 2.332) 7.047 19.575 ( 10.207 2.740 9.943) 14.510 20.286 ( 0.090 21.769 -8.771) 23.470 21.914 ( 6.027 8.756 0.574) 10.645 22.397 ( -0.353 -10.699 -6.313) 12.428 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( -3.868 8.359 27.026) 28.552 4.423 ( -11.842 10.003 31.917) 35.482 5.472 ( -0.691 -2.011 -14.886) 15.038 6.042 ( 3.812 -5.930 -1.656) 7.241 6.336 ( -5.593 -0.191 5.301) 7.709 6.984 ( -5.924 15.842 -10.349) 19.828 7.889 ( 0.155 8.621 5.806) 10.395 8.283 ( -0.451 -14.091 -0.513) 14.108 8.645 ( 11.680 3.407 -7.994) 14.558 9.120 ( 11.104 -5.640 3.713) 12.996 9.297 ( 5.288 -2.772 3.546) 6.944 9.473 ( 0.817 -12.848 5.459) 13.984 9.911 ( -8.234 -4.844 -11.451) 14.913 10.411 ( 3.315 7.384 -2.430) 8.451 10.746 ( -4.993 -7.833 -9.713) 13.440 11.021 ( 0.965 0.471 2.815) 3.013 11.559 ( 10.123 -0.637 0.793) 10.174 12.040 ( -0.327 0.778 1.257) 1.514 12.826 ( -7.646 6.929 -7.357) 12.672 13.018 ( -4.527 -3.934 3.681) 7.037 13.883 ( 11.309 -7.492 3.963) 14.133 14.166 ( 2.307 -4.048 5.941) 7.550 14.871 ( -5.333 -7.354 0.344) 9.090 16.606 ( 4.944 -11.682 18.804) 22.682 17.780 ( 7.463 1.926 -9.174) 11.982 18.036 ( 3.095 22.866 17.864) 29.181 19.007 ( -14.879 -2.207 -18.567) 23.895 19.519 ( -12.967 20.031 -18.286) 30.063 21.444 ( -3.750 6.651 2.197) 7.946 22.918 ( -0.034 -5.328 -5.098) 7.374 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( 12.146 18.452 25.481) 33.723 4.468 ( -12.579 6.330 20.268) 24.680 5.401 ( 4.826 -1.903 -6.496) 8.313 6.022 ( -0.739 2.869 -7.454) 8.021 6.292 ( -2.473 -2.148 4.907) 5.900 6.920 ( -10.366 9.565 -7.304) 15.884 8.021 ( 3.531 3.093 -0.510) 4.722 8.138 ( -5.593 0.266 6.779) 8.792 8.801 ( 9.978 -11.975 -6.901) 17.046 9.113 ( 8.020 -16.277 -0.677) 18.159 9.354 ( 1.142 -7.723 1.295) 7.913 9.529 ( 4.350 -4.143 9.863) 11.549 9.739 ( 0.512 7.355 -9.288) 11.859 10.224 ( -23.168 -7.967 5.155) 25.036 10.580 ( 1.159 -0.463 -12.358) 12.421 11.190 ( 17.109 -1.516 -6.851) 18.492 11.859 ( 15.413 5.288 11.093) 19.712 11.986 ( -10.256 4.264 -1.671) 11.232 12.640 ( -11.709 0.476 -9.733) 15.234 13.021 ( 5.131 0.095 4.595) 6.889 14.026 ( 7.835 -6.519 2.546) 10.506 14.131 ( -1.152 -7.042 4.235) 8.297 14.825 ( 4.628 -2.180 2.969) 5.915 16.605 ( -7.226 -11.977 19.650) 24.120 17.878 ( 15.534 -1.495 -15.889) 22.271 18.389 ( -6.002 23.667 24.025) 34.254 18.700 ( -6.443 2.698 -20.334) 21.500 19.390 ( -11.525 20.407 -18.283) 29.724 21.473 ( -2.245 7.250 1.388) 7.716 22.829 ( 0.015 -8.144 -2.191) 8.434 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.080 ( 6.235 4.593 4.591) 9.003 4.494 ( 0.838 16.475 18.224) 24.581 5.546 ( 8.868 5.241 5.945) 11.893 5.966 ( -4.342 8.501 -16.323) 18.909 6.299 ( 4.758 -4.772 6.261) 9.198 6.745 ( -11.443 1.936 -6.566) 13.334 7.984 ( -2.434 -3.553 -0.037) 4.307 8.242 ( -2.880 8.461 14.470) 17.008 8.573 ( -1.405 -23.884 -11.449) 26.524 9.055 ( -9.546 -14.788 6.012) 18.600 9.371 ( 15.194 -12.970 -0.120) 19.978 9.623 ( 7.216 -1.785 10.506) 12.870 9.709 ( -9.976 6.372 -9.465) 15.156 10.050 ( 0.975 11.675 5.508) 12.946 10.461 ( -3.707 -5.284 -14.298) 15.687 11.413 ( 17.057 -4.758 -5.182) 18.451 11.753 ( -15.789 3.461 -4.164) 16.691 12.244 ( 12.160 3.925 11.029) 16.880 12.382 ( -9.469 -1.067 -8.936) 13.064 13.155 ( 3.805 -0.461 2.648) 4.658 13.934 ( -1.993 -7.707 -0.452) 7.974 14.220 ( 9.660 -5.627 2.648) 11.489 14.947 ( 5.708 2.978 0.947) 6.507 16.389 ( -11.930 -18.087 15.065) 26.389 18.032 ( 8.765 2.738 -6.237) 11.101 18.494 ( -23.417 19.266 18.591) 35.569 18.655 ( 10.647 7.039 -20.403) 24.067 19.395 ( 3.082 19.496 -13.055) 23.665 21.521 ( -1.055 7.080 1.179) 7.254 22.741 ( -0.022 -9.117 0.123) 9.117 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( 2.205 -2.476 -7.022) 7.765 4.949 ( 11.534 20.520 14.289) 27.537 5.664 ( -11.102 6.477 3.797) 13.402 5.932 ( 5.961 8.233 -16.658) 19.515 6.456 ( 13.318 -5.217 8.188) 16.482 6.542 ( -8.933 0.706 -5.334) 10.428 7.882 ( -8.631 -1.232 2.021) 8.950 8.104 ( -3.672 -23.780 1.343) 24.099 8.552 ( 1.921 3.208 6.285) 7.313 8.649 ( -12.961 -17.153 7.505) 22.772 9.481 ( 5.709 -0.588 1.641) 5.970 9.647 ( 0.454 3.038 -9.003) 9.512 9.887 ( 11.446 3.031 10.672) 15.940 10.210 ( -4.826 -9.095 -9.614) 14.087 10.254 ( 4.738 13.225 -0.618) 14.062 11.474 ( -14.581 11.151 -6.921) 19.617 11.636 ( 14.934 -11.136 -4.259) 19.109 12.119 ( -6.036 -6.902 -8.491) 12.496 12.544 ( 7.102 3.186 9.818) 12.530 13.072 ( -10.786 -5.752 0.674) 12.243 13.898 ( 3.634 -5.560 -0.479) 6.660 14.308 ( 6.987 -5.334 -1.749) 8.963 15.002 ( -4.662 6.302 -5.905) 9.815 16.149 ( -0.084 -24.794 13.618) 28.288 18.127 ( -4.638 12.692 -8.694) 16.068 18.290 ( -24.926 10.655 20.913) 34.237 18.869 ( 18.641 5.019 -14.965) 24.426 19.680 ( 13.117 20.560 -6.951) 25.359 21.592 ( 0.789 6.600 2.003) 6.943 22.649 ( -1.669 -8.756 1.351) 9.015 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.127 ( 10.700 0.836 -5.200) 11.926 5.324 ( 4.990 14.911 -7.423) 17.388 5.508 ( -6.835 2.864 4.542) 8.692 5.983 ( -2.062 5.726 -4.266) 7.432 6.384 ( -7.397 2.157 -7.134) 10.501 6.632 ( 6.224 -11.381 9.687) 16.190 7.745 ( -9.173 -3.377 2.580) 10.110 7.904 ( 4.620 -12.886 4.808) 14.509 8.261 ( -6.737 -13.945 3.177) 15.810 8.864 ( 10.562 6.404 8.630) 15.068 9.532 ( -13.377 7.636 -2.971) 15.687 9.601 ( 7.990 -3.112 -4.801) 9.827 9.890 ( -2.028 -3.241 -4.008) 5.539 10.291 ( 7.890 4.306 6.282) 10.967 10.499 ( 11.467 10.836 2.834) 16.029 11.272 ( -14.382 9.000 -9.751) 19.569 11.747 ( 13.319 -13.283 -4.806) 19.415 11.948 ( 0.033 -6.615 -7.401) 9.927 12.677 ( 0.832 0.402 7.733) 7.788 12.767 ( -17.482 -6.965 0.248) 18.820 13.872 ( -0.237 -6.498 -0.069) 6.502 14.332 ( 3.745 -4.098 -4.956) 7.442 14.847 ( -13.053 5.161 -8.096) 16.204 16.088 ( 11.942 -28.335 11.138) 32.704 17.878 ( -27.232 16.091 -3.953) 31.877 18.344 ( 0.152 5.690 13.433) 14.589 19.145 ( 16.842 3.293 -4.261) 17.682 20.066 ( 13.173 20.934 -7.182) 25.755 21.704 ( 3.821 6.135 2.949) 7.806 22.529 ( -4.617 -7.711 1.540) 9.118 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.320 ( 12.136 1.325 -2.518) 12.465 5.231 ( -8.573 4.989 -10.283) 14.288 5.637 ( 5.443 1.839 -7.750) 9.647 5.961 ( -3.318 0.241 10.325) 10.847 6.215 ( -11.046 -0.168 0.595) 11.064 6.599 ( 3.227 -13.591 3.545) 14.412 7.579 ( -5.765 1.146 0.250) 5.883 8.045 ( -0.055 -1.644 8.102) 8.267 8.189 ( 14.140 -3.049 1.563) 14.549 8.964 ( -1.603 -7.490 -8.526) 11.461 9.415 ( -10.456 19.252 1.378) 21.951 9.708 ( 4.415 3.483 -3.913) 6.851 9.919 ( 9.582 -1.526 7.547) 12.292 10.432 ( 1.756 4.727 2.218) 5.509 10.777 ( 2.392 8.626 2.034) 9.180 11.091 ( -4.504 1.439 -5.042) 6.912 11.714 ( 6.099 -14.107 -11.087) 18.951 11.949 ( 9.033 -5.262 -2.529) 10.755 12.421 ( -15.452 -4.888 -0.521) 16.215 12.685 ( -5.321 1.317 5.613) 7.846 13.778 ( -3.008 -6.677 0.882) 7.376 14.294 ( 0.110 -2.904 -6.175) 6.825 14.662 ( -7.892 2.129 -3.243) 8.794 16.055 ( 9.528 -29.377 6.003) 31.462 17.604 ( -20.672 13.511 -0.657) 24.705 18.458 ( 0.683 3.862 5.035) 6.382 19.442 ( 15.029 2.814 6.268) 16.525 20.378 ( 6.903 17.736 -8.328) 20.774 21.877 ( 7.917 7.201 1.887) 10.867 22.365 ( -7.858 -6.709 1.124) 10.393 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( -6.655 9.308 17.590) 20.984 4.875 ( -12.270 4.722 29.786) 32.558 5.399 ( -1.479 -2.848 -11.088) 11.543 5.967 ( 1.731 3.030 1.396) 3.758 6.332 ( 2.073 -3.996 -1.159) 4.648 6.982 ( 11.828 4.073 -14.277) 18.982 8.002 ( 2.938 -6.108 -6.777) 9.584 8.140 ( -1.619 3.411 6.234) 7.289 8.622 ( -5.005 0.324 -2.672) 5.683 8.896 ( 2.705 -13.035 3.715) 13.821 9.254 ( 1.839 -1.934 0.264) 2.682 9.387 ( 1.729 3.451 8.695) 9.513 9.990 ( -8.023 -0.574 -8.238) 11.514 10.401 ( 3.628 7.186 -5.504) 9.752 10.603 ( 7.464 5.071 -15.129) 17.616 11.147 ( -13.715 -11.665 9.728) 20.465 11.436 ( 6.977 2.867 3.212) 8.199 11.942 ( 9.112 -5.925 1.010) 10.916 12.884 ( -0.368 2.972 -8.668) 9.171 13.065 ( -4.789 -9.950 3.238) 11.508 13.721 ( 7.673 -0.256 7.142) 10.486 14.135 ( 2.559 -2.575 6.583) 7.518 14.905 ( -7.569 -8.000 -0.358) 11.019 16.375 ( 18.693 -11.288 5.898) 22.619 17.756 ( -9.160 -3.260 1.546) 9.845 18.320 ( 7.541 27.823 20.668) 35.470 19.085 ( -13.196 -5.757 -20.304) 24.891 19.771 ( -9.045 16.342 -13.002) 22.758 21.598 ( -5.214 7.193 1.203) 8.965 22.818 ( 0.672 -6.039 -7.081) 9.331 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( 4.842 18.011 18.391) 26.193 4.819 ( -14.472 -1.310 16.759) 22.181 5.355 ( 0.941 4.265 1.340) 4.568 6.003 ( 0.214 4.547 -5.167) 6.886 6.303 ( -0.499 -3.834 -1.359) 4.098 7.043 ( -0.829 4.307 -13.485) 14.180 7.928 ( 2.472 -1.984 -7.291) 7.950 8.288 ( 11.692 -5.731 7.341) 14.948 8.485 ( -3.567 -10.259 0.682) 10.883 8.834 ( 2.676 -7.374 1.019) 7.910 9.253 ( 3.286 -12.474 6.662) 14.518 9.568 ( -0.927 8.003 0.780) 8.094 9.809 ( -3.916 6.534 -3.547) 8.403 10.453 ( 0.192 3.460 -8.108) 8.817 10.570 ( -11.779 -0.612 -5.324) 12.941 10.949 ( 2.528 -3.232 -0.833) 4.187 11.716 ( 15.432 3.207 13.228) 20.577 12.049 ( 3.926 1.644 -3.095) 5.262 12.751 ( -10.111 -6.041 -6.362) 13.387 12.937 ( 3.048 -8.194 2.153) 9.004 13.887 ( 6.721 -0.706 6.207) 9.176 14.159 ( -3.222 -4.413 6.638) 8.598 14.755 ( 0.566 -5.079 1.428) 5.306 16.632 ( 11.219 -6.705 12.776) 18.277 17.593 ( -0.063 -4.134 -9.737) 10.579 18.642 ( -2.623 0.085 -6.901) 7.383 18.857 ( -4.472 22.390 6.263) 23.675 19.677 ( -13.060 17.358 -13.486) 25.568 21.603 ( -3.709 7.981 0.285) 8.805 22.721 ( 0.879 -9.250 -3.482) 9.923 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.108 ( 0.696 7.686 4.100) 8.739 4.729 ( -3.271 9.500 15.258) 18.269 5.509 ( 6.495 6.876 8.280) 12.571 5.995 ( -1.861 7.553 -15.608) 17.439 6.245 ( 0.202 -5.957 2.868) 6.615 6.885 ( -9.312 0.082 -11.545) 14.833 7.949 ( 4.822 -5.204 -1.721) 7.301 8.277 ( 0.194 -20.532 -4.334) 20.986 8.473 ( -1.365 9.644 8.424) 12.878 8.929 ( 15.843 -6.632 3.847) 17.600 9.122 ( -6.568 -18.325 7.550) 20.880 9.583 ( 2.741 -0.306 9.347) 9.745 9.899 ( -4.468 14.872 -11.922) 19.577 10.270 ( -13.736 3.562 7.355) 15.983 10.401 ( -2.901 -2.008 -12.553) 13.039 11.084 ( 13.073 -0.341 -3.708) 13.593 11.951 ( -4.822 0.365 -2.820) 5.599 12.143 ( 11.472 3.368 11.010) 16.253 12.449 ( -10.366 -7.753 -7.897) 15.163 13.024 ( 10.520 -5.409 4.081) 12.513 13.909 ( -3.223 -6.962 -1.617) 7.840 14.109 ( 0.876 -2.282 6.756) 7.185 14.843 ( 8.969 -0.220 2.551) 9.327 16.589 ( -15.600 -12.566 14.202) 24.556 17.713 ( 23.755 2.304 -11.877) 26.658 18.485 ( -0.464 0.640 -18.358) 18.375 19.121 ( -9.746 23.032 21.633) 33.068 19.516 ( -10.697 15.216 -16.922) 25.146 21.627 ( -2.575 7.967 -0.125) 8.374 22.645 ( 1.722 -9.427 1.118) 9.648 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.017 ( -5.652 -1.322 -6.816) 8.952 5.050 ( 7.874 14.887 14.053) 21.935 5.775 ( 9.906 5.569 8.727) 14.329 5.869 ( -5.066 7.405 -24.083) 25.700 6.259 ( 5.576 -7.521 4.043) 10.198 6.677 ( -8.853 2.033 -6.910) 11.413 7.863 ( 2.128 -23.907 -2.590) 24.141 8.104 ( -10.258 6.212 6.545) 13.662 8.580 ( 1.751 4.424 2.599) 5.422 8.814 ( -14.992 -17.267 11.085) 25.412 9.206 ( 18.778 -6.115 3.282) 20.020 9.675 ( -1.616 -4.513 11.011) 12.009 9.900 ( 3.714 19.333 -5.943) 20.564 10.163 ( -6.889 -7.329 -9.635) 13.928 10.332 ( -0.276 9.426 1.361) 9.528 11.271 ( 13.727 -4.358 -2.256) 14.578 11.773 ( -12.643 5.645 -8.779) 16.395 12.092 ( -9.156 -11.669 -5.525) 15.828 12.493 ( 10.072 2.767 9.330) 14.005 13.116 ( 1.777 -6.947 3.628) 8.036 13.780 ( 0.113 -5.955 -3.404) 6.860 14.158 ( 4.096 -3.788 1.387) 5.749 15.004 ( 6.991 2.511 -1.059) 7.503 16.192 ( -19.292 -17.313 8.139) 27.169 18.122 ( 16.949 8.762 1.938) 19.178 18.461 ( 13.738 0.985 -23.113) 26.905 19.012 ( -31.555 13.064 11.781) 36.127 19.634 ( 10.082 18.138 -5.029) 21.352 21.670 ( -1.162 7.335 0.464) 7.441 22.606 ( 0.536 -7.267 4.930) 8.798 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.958 ( 4.235 1.406 -6.111) 7.567 5.301 ( 5.606 4.054 0.204) 6.922 5.641 ( -8.097 1.733 -14.667) 16.843 6.058 ( 3.694 11.856 1.171) 12.473 6.306 ( 10.306 -9.554 -2.356) 14.249 6.532 ( -6.768 -4.101 -2.873) 8.419 7.720 ( 4.127 -9.170 4.090) 10.856 8.049 ( -14.592 7.465 11.620) 20.091 8.372 ( -15.023 -12.498 8.735) 21.405 8.792 ( 7.378 1.491 5.802) 9.504 9.397 ( 9.909 -2.950 -5.164) 11.557 9.681 ( 0.452 0.253 3.712) 3.748 9.937 ( -6.418 -2.638 -0.846) 6.990 10.224 ( 11.653 11.517 5.696) 17.346 10.440 ( 4.135 7.002 -1.698) 8.307 11.398 ( 9.363 -7.986 -4.326) 13.045 11.569 ( -12.746 7.517 -8.238) 16.936 11.814 ( -4.213 -11.571 -8.850) 15.165 12.690 ( 4.693 0.902 9.377) 10.524 12.975 ( -11.529 -6.311 2.416) 13.363 13.753 ( 3.936 -6.468 -2.686) 8.033 14.182 ( 4.611 -4.828 -3.271) 7.435 15.048 ( -5.618 6.365 -7.062) 11.043 15.826 ( -5.373 -22.730 7.906) 24.658 18.261 ( -6.579 11.975 -14.198) 19.704 18.686 ( -24.300 5.767 19.064) 31.419 18.767 ( 27.321 1.318 -8.480) 28.637 19.981 ( 13.300 16.998 -3.574) 21.876 21.737 ( 0.956 6.085 1.686) 6.387 22.570 ( -3.112 -3.951 6.988) 8.610 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.086 ( 11.855 -0.088 -3.000) 12.229 5.298 ( -1.347 0.058 -14.326) 14.389 5.522 ( 0.596 0.943 -8.153) 8.229 6.095 ( -7.542 -2.923 6.718) 10.514 6.287 ( -0.920 -19.850 -1.586) 19.935 6.432 ( 3.653 10.122 -7.746) 13.259 7.809 ( -9.447 1.186 7.098) 11.876 7.949 ( 5.858 3.136 12.363) 14.035 8.233 ( -7.006 4.779 11.611) 14.378 8.872 ( 0.702 -6.461 -2.550) 6.981 9.518 ( 10.444 7.613 -7.565) 14.975 9.718 ( 2.519 -2.092 4.725) 5.749 9.931 ( -2.227 7.456 10.350) 12.949 10.424 ( 2.056 3.363 3.168) 5.057 10.640 ( 14.020 -0.044 -2.349) 14.215 11.255 ( -14.671 0.930 -9.869) 17.706 11.465 ( 3.095 -7.044 -6.697) 10.201 11.713 ( 7.915 -4.870 -5.589) 10.845 12.674 ( -16.355 -3.489 3.583) 17.103 12.812 ( -1.581 2.615 6.163) 6.879 13.712 ( 0.732 -7.798 -1.716) 8.017 14.179 ( 3.805 -5.013 -5.221) 8.178 14.874 ( -14.459 5.748 -6.274) 16.776 15.677 ( 7.340 -24.461 4.465) 25.926 18.049 ( -18.411 11.697 -14.008) 25.923 18.567 ( -7.591 0.890 13.041) 15.116 19.193 ( 22.068 2.660 3.323) 22.474 20.311 ( 11.761 12.781 -5.930) 18.353 21.842 ( 4.348 4.779 2.061) 6.782 22.504 ( -8.081 0.074 7.377) 10.942 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.826 ( -5.571 8.466 8.284) 13.089 5.250 ( -7.314 -6.043 17.107) 19.562 5.298 ( 3.784 2.381 8.155) 9.300 6.089 ( -6.265 11.605 1.735) 13.302 6.258 ( 3.670 -0.094 -0.111) 3.673 6.573 ( 19.911 -12.423 -5.691) 24.149 7.840 ( 4.874 1.996 -9.441) 10.811 8.285 ( -14.964 -4.081 -12.800) 20.110 8.490 ( 1.410 -13.856 -3.646) 14.397 8.894 ( 2.809 3.707 -5.062) 6.874 9.258 ( -2.599 -1.011 8.451) 8.899 9.599 ( -5.209 9.689 9.305) 14.408 10.031 ( -3.699 1.295 -8.854) 9.683 10.362 ( 6.409 10.961 -9.427) 15.814 10.484 ( 2.372 2.876 -3.383) 5.034 11.276 ( -4.204 -7.606 7.706) 11.615 11.436 ( -1.604 1.964 5.140) 5.731 11.711 ( 7.313 -10.838 3.075) 13.431 12.849 ( 1.429 3.451 -7.975) 8.806 13.005 ( -1.491 -13.093 -0.644) 13.193 13.672 ( 6.090 2.541 6.205) 9.058 14.101 ( 3.838 -1.430 5.286) 6.687 14.967 ( -7.070 -5.476 2.189) 9.207 15.925 ( 19.320 -14.942 -2.366) 24.538 17.957 ( -9.300 -2.739 15.307) 18.119 18.559 ( 5.461 22.995 15.260) 28.133 19.082 ( -8.686 -6.238 -21.774) 24.259 19.997 ( -7.296 15.050 -5.567) 17.628 21.750 ( -4.977 5.369 0.144) 7.322 22.716 ( -0.925 -4.652 -8.747) 9.950 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.987 ( 2.800 15.822 10.044) 18.949 5.124 ( -13.121 -4.247 14.556) 20.052 5.427 ( 0.971 6.069 8.978) 10.880 6.058 ( -4.307 5.545 -6.528) 9.587 6.266 ( -1.169 -2.848 2.873) 4.211 6.806 ( 19.326 -6.792 -8.513) 22.184 7.844 ( -2.375 -5.125 -8.202) 9.959 8.033 ( 4.563 -2.903 -9.645) 11.058 8.330 ( 2.750 -14.602 -4.076) 15.407 8.955 ( 1.413 4.754 -1.127) 5.087 9.251 ( -9.380 -2.024 19.124) 21.397 9.675 ( -3.613 7.802 -3.470) 9.272 9.882 ( -2.387 1.607 -4.968) 5.741 10.411 ( 0.816 3.835 -7.102) 8.113 10.628 ( 3.845 13.292 -9.631) 16.859 11.079 ( -14.427 -7.767 11.366) 19.941 11.577 ( 12.375 0.100 12.179) 17.363 11.890 ( 13.386 0.143 -0.074) 13.387 12.775 ( -6.953 -17.061 -1.201) 18.462 12.813 ( 0.323 -2.689 -6.416) 6.964 13.824 ( 6.068 -0.785 5.273) 8.078 14.203 ( 1.947 0.063 8.544) 8.763 14.756 ( -7.668 -7.785 1.957) 11.101 16.226 ( 28.839 -6.328 -3.024) 29.679 17.730 ( -19.017 -7.098 7.778) 21.738 18.617 ( -5.377 -5.598 -12.367) 14.601 19.106 ( 4.536 23.306 1.996) 23.827 19.996 ( -10.609 17.892 -1.958) 20.892 21.737 ( -3.714 7.227 -0.816) 8.167 22.593 ( 0.154 -9.193 -5.302) 10.613 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.225 ( -0.122 10.609 4.055) 11.358 4.991 ( -9.053 4.522 14.873) 17.989 5.557 ( 1.791 6.786 6.587) 9.625 5.996 ( -2.031 4.278 -14.479) 15.234 6.208 ( -1.673 -6.713 3.058) 7.564 6.863 ( 2.258 -4.513 -12.234) 13.234 7.699 ( 4.582 -16.141 -4.674) 17.418 8.140 ( 7.226 3.862 -1.429) 8.317 8.364 ( 14.310 -5.020 1.994) 15.296 8.998 ( -10.479 11.261 0.777) 15.402 9.078 ( -5.432 -17.742 12.811) 22.548 9.630 ( -1.093 1.739 5.852) 6.202 9.979 ( 3.239 10.865 -7.776) 13.748 10.377 ( -3.254 0.661 -7.571) 8.267 10.571 ( -14.436 2.661 -0.714) 14.696 10.991 ( 0.551 5.284 2.879) 6.043 11.892 ( 12.071 -1.648 11.781) 16.948 12.057 ( 7.357 3.826 -2.508) 8.664 12.477 ( -8.814 -14.340 -2.277) 16.986 12.800 ( 8.347 -7.233 -0.807) 11.075 13.870 ( 0.180 -5.561 -0.250) 5.569 14.207 ( -6.258 -0.993 8.992) 11.000 14.706 ( 6.374 -2.831 1.569) 7.149 16.601 ( 17.260 -8.766 3.859) 19.739 17.409 ( -5.129 -4.618 -6.582) 9.537 18.439 ( -3.657 0.388 -11.822) 12.380 19.394 ( 4.749 18.919 -0.428) 19.511 19.917 ( -20.048 16.443 2.849) 26.084 21.750 ( -3.198 8.404 -1.091) 9.058 22.514 ( 3.564 -9.755 0.575) 10.402 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.154 ( -12.441 2.645 -2.114) 12.893 5.130 ( 4.202 7.119 9.703) 12.747 5.706 ( 6.299 1.509 6.474) 9.158 5.862 ( -4.434 3.338 -21.612) 22.313 6.165 ( 2.019 -4.311 1.491) 4.989 6.745 ( -3.738 -0.111 -10.532) 11.176 7.624 ( 3.682 -12.446 2.968) 13.314 8.294 ( 4.327 5.890 5.175) 8.955 8.619 ( 8.593 3.561 -0.714) 9.329 8.743 ( -5.773 -14.211 6.172) 16.534 9.089 ( -1.270 -1.076 11.759) 11.876 9.720 ( 1.374 -2.745 14.656) 14.974 10.002 ( -2.918 12.845 -14.138) 19.323 10.199 ( -9.950 -4.095 -6.471) 12.556 10.440 ( -3.738 4.407 2.602) 6.338 11.096 ( 5.240 2.354 -0.495) 5.766 11.896 ( -6.615 1.287 -7.748) 10.269 12.166 ( -10.572 -7.771 1.987) 13.271 12.359 ( 14.033 0.696 6.326) 15.409 12.926 ( 12.781 -8.371 2.779) 15.529 13.748 ( -4.268 -5.412 -4.840) 8.421 14.151 ( -3.993 -1.776 5.088) 6.707 14.848 ( 10.861 -1.718 0.289) 11.000 16.436 ( -19.691 -15.164 4.614) 25.278 17.639 ( 33.694 1.403 -10.756) 35.397 18.351 ( -2.504 4.377 -8.509) 9.890 19.564 ( -6.017 10.082 -14.213) 18.435 19.750 ( -15.070 17.564 16.433) 28.383 21.775 ( -2.791 8.023 -0.393) 8.503 22.533 ( 4.944 -6.294 6.380) 10.236 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.987 ( -7.721 4.091 -2.436) 9.071 5.216 ( 2.373 -6.548 -3.007) 7.586 5.641 ( -3.655 -0.594 -17.101) 17.497 5.906 ( 12.818 -9.701 3.052) 16.362 6.228 ( 1.479 10.954 -1.470) 11.151 6.605 ( -7.436 1.094 -9.068) 11.778 7.642 ( 2.928 -2.125 9.086) 9.780 8.430 ( -4.476 8.552 10.067) 13.946 8.500 ( -8.039 -3.670 5.873) 10.611 8.771 ( -0.321 -2.374 4.324) 4.943 9.161 ( 9.026 -6.262 6.931) 12.989 9.700 ( -4.537 -7.109 5.294) 9.958 9.936 ( -1.933 -6.465 -1.115) 6.839 10.203 ( 8.337 16.184 -5.072) 18.899 10.482 ( 0.071 5.097 1.877) 5.432 11.188 ( 6.716 -2.885 -1.126) 7.395 11.715 ( -9.105 3.080 -11.590) 15.057 11.898 ( -15.115 -2.829 -1.412) 15.442 12.623 ( 10.748 -0.501 9.170) 14.137 13.007 ( 2.198 -8.062 3.220) 8.955 13.643 ( 0.833 -2.266 -5.369) 5.887 14.095 ( -1.356 -3.818 -0.026) 4.051 14.997 ( 9.142 -1.067 -3.279) 9.771 15.941 ( -22.831 -15.134 2.468) 27.503 18.113 ( 27.259 -6.232 -21.109) 35.035 18.387 ( 7.182 11.716 2.112) 13.903 19.264 ( -25.777 5.574 3.500) 26.604 19.958 ( 6.166 15.378 3.358) 16.905 21.807 ( -1.525 6.062 0.649) 6.285 22.610 ( 2.084 -1.251 9.758) 10.056 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.960 ( 1.526 0.831 -0.837) 1.929 5.111 ( 4.664 -11.845 -12.149) 17.597 5.510 ( -2.388 2.314 -13.984) 14.374 5.944 ( 5.701 -24.844 4.562) 25.895 6.326 ( -5.444 10.049 1.654) 11.548 6.478 ( -1.908 12.955 -12.901) 18.383 7.774 ( 5.935 2.061 6.862) 9.304 8.304 ( -17.146 0.671 11.529) 20.673 8.500 ( -7.081 12.072 12.982) 19.090 8.804 ( 1.561 -3.466 6.339) 7.391 9.319 ( 14.220 -2.752 -2.752) 14.743 9.614 ( 4.187 -8.418 3.879) 10.171 9.924 ( 4.372 -9.492 5.839) 11.971 10.435 ( 8.297 5.229 -9.233) 13.470 10.573 ( -1.770 13.416 6.495) 15.010 11.233 ( 3.659 -4.729 -3.104) 6.737 11.562 ( -12.137 2.998 -8.367) 15.043 11.621 ( -6.731 2.130 -3.095) 7.708 12.819 ( 6.764 0.831 7.647) 10.243 12.882 ( -9.841 -5.629 2.622) 11.636 13.635 ( 1.238 -1.859 -2.534) 3.378 14.045 ( 2.079 -4.692 -4.003) 6.509 15.054 ( -1.017 2.423 -7.350) 7.806 15.488 ( -12.093 -18.860 3.218) 22.634 18.115 ( 2.277 -3.031 -22.559) 22.876 18.778 ( 13.522 9.002 -7.469) 17.879 19.000 ( -10.533 1.205 21.756) 24.202 20.225 ( 8.908 11.321 -0.630) 14.419 21.850 ( 0.713 3.389 1.073) 3.626 22.677 ( -3.190 3.893 10.494) 11.638 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( -0.000 0.000 39.386) 39.386 3.165 ( -0.000 0.000 39.386) 39.386 5.416 ( -0.000 0.000 56.192) 56.192 6.286 ( 0.000 -0.000 -28.652) 28.652 6.286 ( 0.000 -0.000 -28.652) 28.652 6.556 ( 0.000 -0.000 -0.396) 0.396 8.050 ( 0.000 -0.000 -10.373) 10.373 8.379 ( 0.000 0.000 -5.866) 5.866 8.379 ( 0.000 0.000 -5.866) 5.866 9.378 ( -0.000 0.000 8.438) 8.438 9.378 ( -0.000 0.000 8.438) 8.438 10.212 ( 0.000 -0.000 -31.697) 31.697 10.466 ( -0.000 -0.000 13.461) 13.461 10.466 ( 0.000 0.000 13.461) 13.461 11.006 ( 0.000 -0.000 -1.788) 1.788 11.012 ( -0.000 0.000 4.001) 4.001 11.012 ( 0.000 0.000 4.001) 4.001 12.311 ( 0.000 0.000 -11.274) 11.274 12.311 ( 0.000 0.000 -11.274) 11.274 12.686 ( -0.000 0.000 0.260) 0.260 14.354 ( -0.000 -0.000 0.244) 0.244 14.354 ( 0.000 0.000 0.244) 0.244 14.982 ( -0.000 0.000 4.343) 4.343 17.194 ( -0.000 0.000 19.202) 19.202 17.194 ( -0.000 0.000 19.202) 19.202 18.006 ( 0.000 -0.000 -2.042) 2.042 18.637 ( 0.000 -0.000 -16.146) 16.146 18.637 ( 0.000 -0.000 -16.146) 16.146 21.273 ( -0.000 0.000 2.886) 2.886 23.006 ( -0.000 0.000 0.116) 0.116 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( -7.861 7.119 36.484) 37.994 3.746 ( 23.006 5.575 33.882) 41.333 5.643 ( -8.989 -2.681 14.985) 17.679 6.045 ( 9.016 -4.400 2.205) 10.272 6.276 ( -1.439 9.437 -21.079) 23.140 6.575 ( 5.299 -1.679 -4.604) 7.218 7.920 ( -6.524 -2.468 -1.678) 7.174 8.352 ( 4.088 -4.042 -6.922) 8.998 8.496 ( 7.340 8.370 -6.743) 13.016 9.385 ( -0.646 0.418 8.992) 9.025 9.464 ( -1.894 -1.023 5.439) 5.850 9.917 ( -15.468 -7.317 -14.667) 22.537 10.097 ( -11.934 -5.057 -1.698) 13.072 10.596 ( -7.835 -22.882 5.027) 24.704 10.794 ( 6.727 1.623 6.685) 9.622 11.021 ( -11.017 13.193 -5.169) 17.948 11.501 ( 19.502 10.597 2.481) 22.333 12.077 ( -10.242 1.112 -4.264) 11.150 12.385 ( 11.972 -3.278 -10.487) 16.250 12.850 ( 9.583 9.340 -0.953) 13.416 14.244 ( -5.988 -7.030 1.809) 9.410 14.360 ( -4.645 2.564 -0.311) 5.315 14.976 ( -2.293 0.678 3.367) 4.130 17.111 ( -16.665 9.269 19.832) 27.513 17.362 ( 11.514 -21.092 21.363) 32.153 18.071 ( -5.472 1.080 -14.446) 15.486 18.563 ( 18.385 8.786 -11.592) 23.443 18.807 ( 13.052 9.222 -15.476) 22.246 21.304 ( 1.412 0.824 2.580) 3.055 22.998 ( -0.692 -0.402 -0.985) 1.269 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( -4.606 12.253 29.033) 31.847 4.365 ( 21.701 6.362 27.884) 35.901 5.418 ( -6.255 -3.570 -13.163) 15.004 6.132 ( -2.776 -0.645 -10.914) 11.280 6.379 ( 5.934 7.882 11.958) 15.503 6.637 ( 10.060 -3.221 -9.329) 14.092 7.850 ( -0.598 -1.156 10.972) 11.049 8.365 ( 6.933 -2.521 -7.308) 10.384 8.580 ( -3.788 3.220 -0.241) 4.977 9.181 ( -15.990 -13.907 1.002) 21.216 9.471 ( -2.871 0.933 4.516) 5.432 9.647 ( -5.808 1.123 -6.651) 8.901 9.974 ( -1.239 0.359 0.105) 1.294 10.325 ( -6.739 -6.668 -1.718) 9.635 10.703 ( -5.706 -11.724 -14.033) 19.155 11.076 ( 5.157 4.841 6.952) 9.917 11.653 ( -9.961 8.025 -1.785) 12.915 12.075 ( 1.890 6.894 4.535) 8.465 12.547 ( 16.922 -2.336 -9.536) 19.564 13.054 ( 4.882 6.479 0.729) 8.145 14.054 ( -10.842 -5.999 2.763) 12.696 14.278 ( -6.092 0.706 1.854) 6.407 14.986 ( -1.122 4.131 0.940) 4.382 17.017 ( -20.615 6.474 16.169) 26.988 17.493 ( 18.274 -24.250 14.808) 33.782 17.887 ( -2.483 0.401 -6.562) 7.028 18.913 ( 12.202 16.213 -14.410) 24.887 19.075 ( 20.617 7.456 -13.938) 25.979 21.373 ( 3.818 1.857 2.425) 4.889 22.954 ( -2.284 -1.392 -3.278) 4.231 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.657 ( -1.434 11.561 19.966) 23.116 4.917 ( 17.701 8.663 25.152) 31.953 5.283 ( 2.221 -1.611 -13.114) 13.398 5.994 ( -5.881 -1.139 -5.255) 7.969 6.451 ( -6.344 1.081 1.788) 6.679 6.703 ( 9.214 -5.636 -13.090) 16.971 8.024 ( 8.290 6.257 7.979) 13.098 8.281 ( -18.203 -14.940 2.419) 23.673 8.491 ( 4.819 1.807 0.861) 5.218 9.041 ( 5.056 0.851 5.728) 7.687 9.327 ( -8.141 -9.055 4.595) 13.015 9.513 ( -11.858 8.528 -11.673) 18.697 10.017 ( -0.834 5.486 4.573) 7.190 10.217 ( 2.098 -7.342 -8.714) 11.586 10.445 ( -1.133 -5.820 -14.429) 15.600 11.232 ( 8.960 -5.945 3.570) 11.330 11.541 ( -12.041 11.355 4.331) 17.108 12.123 ( -8.070 6.401 4.164) 11.111 12.687 ( 10.277 -5.412 -11.013) 16.006 13.156 ( 2.486 0.328 3.369) 4.200 13.836 ( -11.348 -3.331 3.868) 12.443 14.218 ( -3.685 -0.004 2.444) 4.421 15.007 ( -0.835 2.991 -1.264) 3.353 16.706 ( -24.991 -0.473 2.280) 25.099 17.731 ( 19.706 -7.327 10.726) 23.603 17.937 ( 7.673 -8.504 13.083) 17.389 19.107 ( 2.882 18.540 -15.133) 24.105 19.394 ( 19.681 4.994 -12.098) 23.635 21.497 ( 6.615 3.026 2.165) 7.590 22.856 ( -3.880 -2.481 -5.645) 7.285 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.849 ( 0.593 10.063 11.202) 15.070 5.263 ( 3.279 -2.404 -4.171) 5.824 5.410 ( 10.904 11.349 19.847) 25.330 5.893 ( 2.638 -5.693 -2.103) 6.618 6.301 ( -7.580 -5.372 -1.038) 9.348 6.655 ( -2.955 -2.825 -4.758) 6.273 7.854 ( -14.005 -9.807 -2.555) 17.287 8.249 ( 7.805 12.166 -7.343) 16.213 8.583 ( 3.903 -4.386 1.651) 6.098 8.947 ( -15.382 -1.991 -1.811) 15.616 9.304 ( -1.573 -6.075 -8.137) 10.276 9.528 ( 11.136 13.478 16.925) 24.334 10.045 ( -4.014 4.465 1.427) 6.171 10.081 ( 3.525 -10.439 -17.173) 20.404 10.413 ( 3.582 1.372 -4.180) 5.673 11.255 ( 3.528 -10.802 -1.468) 11.458 11.582 ( -4.170 12.962 11.436) 17.782 12.005 ( -14.506 6.623 3.901) 16.417 12.679 ( 5.775 -7.952 -10.449) 14.345 13.151 ( -3.084 -3.906 0.072) 4.978 13.693 ( -5.623 -3.409 5.808) 8.773 14.165 ( -3.851 -0.402 0.589) 3.916 15.003 ( 1.066 -2.361 -0.670) 2.676 16.293 ( -25.911 4.735 -2.513) 26.459 18.057 ( 13.250 -24.163 19.253) 33.617 18.089 ( 15.324 5.637 8.291) 18.313 19.197 ( -3.775 20.354 -11.632) 23.746 19.682 ( 17.586 4.303 -8.374) 19.948 21.661 ( 7.264 4.093 1.282) 8.436 22.724 ( -3.584 -2.926 -7.795) 9.065 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( 12.421 3.781 34.744) 37.091 3.874 ( -9.865 15.314 28.847) 34.117 5.713 ( 6.101 -11.363 -19.650) 23.505 5.902 ( -8.495 -2.405 8.702) 12.396 6.273 ( 3.972 12.172 -2.313) 13.011 6.562 ( -2.616 1.509 0.261) 3.031 7.954 ( 1.329 -0.684 3.202) 3.533 8.272 ( -2.502 -5.233 -4.473) 7.325 8.506 ( 0.434 16.982 -7.483) 18.563 9.417 ( 0.920 -3.326 7.748) 8.482 9.530 ( -0.913 2.893 5.091) 5.926 9.789 ( 0.506 -3.894 -28.770) 29.037 10.177 ( 10.856 -26.818 10.197) 30.676 10.418 ( -20.195 -22.215 10.981) 31.967 10.748 ( 4.244 -9.898 -6.770) 12.720 11.273 ( 9.565 14.371 0.995) 17.292 11.458 ( -3.116 23.426 1.696) 23.693 12.062 ( 6.800 -6.744 -3.384) 10.158 12.300 ( -8.728 6.160 -9.704) 14.432 12.844 ( 2.438 12.592 0.036) 12.826 14.264 ( -3.904 -7.234 1.182) 8.304 14.363 ( 5.103 -1.101 -0.719) 5.270 14.979 ( 1.528 -4.030 3.262) 5.405 17.067 ( 4.173 -22.477 19.950) 30.342 17.667 ( -11.991 13.845 20.730) 27.662 18.204 ( -0.130 18.546 -10.222) 21.176 18.238 ( 3.708 -7.572 -16.062) 18.141 18.741 ( 0.792 17.792 -14.315) 22.850 21.322 ( -0.004 2.222 2.021) 3.004 22.984 ( -0.018 -2.664 -0.453) 2.702 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( -10.339 16.913 24.537) 31.544 4.180 ( 21.746 4.682 17.815) 28.499 5.475 ( -9.515 -1.878 -7.250) 12.109 5.930 ( 9.552 -1.928 -14.948) 17.844 6.453 ( 4.743 7.027 5.540) 10.127 6.530 ( -2.024 -1.160 2.221) 3.221 7.989 ( -4.644 2.145 13.472) 14.410 8.182 ( 3.342 -6.620 -3.338) 8.132 8.651 ( 2.893 14.425 -6.491) 16.081 9.332 ( -13.254 -12.366 2.179) 18.258 9.452 ( -2.789 -9.926 -8.761) 13.530 9.680 ( 0.200 7.997 -7.137) 10.720 9.968 ( -5.060 -14.716 10.696) 18.883 10.228 ( 6.703 -14.970 2.701) 16.624 10.673 ( -1.140 -10.529 -5.620) 11.989 11.141 ( -14.927 6.444 -4.544) 16.881 11.869 ( 7.003 12.707 -1.351) 14.571 12.137 ( 3.963 8.606 5.812) 11.115 12.215 ( 5.371 -1.259 -8.924) 10.491 13.036 ( 4.645 9.339 -1.467) 10.533 14.124 ( -4.382 -8.090 2.555) 9.549 14.377 ( -2.684 1.288 -2.468) 3.867 14.990 ( 1.456 -2.077 0.890) 2.688 17.071 ( 11.628 -27.086 17.494) 34.277 17.593 ( -26.104 12.702 13.201) 31.891 17.936 ( -5.071 4.079 -9.030) 11.131 18.646 ( 22.309 8.820 -7.151) 25.032 18.926 ( 8.286 20.744 -13.499) 26.100 21.370 ( 1.404 3.467 1.669) 4.096 22.937 ( -1.085 -4.524 -1.286) 4.827 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.969 ( -6.804 10.950 12.672) 18.077 4.696 ( 22.551 8.841 2.948) 24.401 5.331 ( -7.868 1.865 8.036) 11.400 5.942 ( 4.452 0.262 -17.623) 18.179 6.471 ( -2.407 -2.694 -3.022) 4.710 6.618 ( 2.934 3.871 5.485) 7.327 7.995 ( 1.604 -4.423 4.636) 6.605 8.262 ( 4.836 0.686 9.406) 10.599 8.666 ( -14.862 -6.888 1.858) 16.485 8.995 ( -0.143 -3.458 -0.066) 3.462 9.266 ( -2.811 -10.815 -2.593) 11.472 9.696 ( -2.752 8.474 -10.901) 14.079 9.975 ( 5.247 -5.961 4.961) 9.363 10.233 ( -1.112 -0.387 -0.858) 1.457 10.405 ( -10.151 -5.300 -5.567) 12.732 11.049 ( 2.445 -2.458 -2.977) 4.570 11.869 ( -10.004 8.302 3.078) 13.360 12.284 ( 8.625 -3.237 -5.054) 10.508 12.385 ( 4.864 7.789 0.235) 9.186 13.100 ( 1.141 -2.907 -0.449) 3.155 14.001 ( -6.854 -3.457 3.008) 8.245 14.298 ( -5.480 2.749 -3.722) 7.172 14.976 ( 0.836 -4.259 -3.287) 5.445 17.069 ( -2.222 -15.912 3.523) 16.448 17.370 ( -5.158 -0.849 9.753) 11.066 17.990 ( 0.568 7.351 11.452) 13.620 19.008 ( 18.650 4.896 -5.989) 20.191 19.205 ( 8.280 24.535 -13.339) 29.128 21.462 ( 3.854 4.707 1.916) 6.378 22.842 ( -2.871 -6.007 -2.827) 7.233 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.061 ( -2.581 10.857 7.962) 13.709 5.032 ( 13.152 5.483 -18.127) 23.057 5.430 ( 7.943 4.459 21.725) 23.557 5.878 ( -2.820 -0.387 -6.612) 7.198 6.337 ( -5.605 -5.209 -6.022) 9.737 6.698 ( -1.982 4.130 7.667) 8.931 7.948 ( -6.899 -14.463 -1.148) 16.065 8.220 ( -4.062 -2.165 2.675) 5.324 8.517 ( 4.112 2.600 3.402) 5.936 8.998 ( 2.413 -18.089 -3.088) 18.509 9.199 ( -3.922 3.177 -0.002) 5.047 9.700 ( 1.033 13.948 -0.821) 14.011 9.875 ( -2.376 -7.240 -12.764) 14.865 10.198 ( -3.777 4.941 7.524) 9.762 10.375 ( 1.217 5.790 -2.246) 6.328 11.066 ( 5.972 -6.418 -2.579) 9.138 11.841 ( -6.452 8.615 7.437) 13.083 12.330 ( -7.043 4.393 4.439) 9.413 12.381 ( 4.447 -8.351 -12.383) 15.584 13.058 ( 2.201 -12.086 0.229) 12.287 13.859 ( -10.023 0.200 3.649) 10.668 14.222 ( -3.917 2.576 -5.387) 7.141 14.906 ( 1.577 -8.259 -3.988) 9.306 16.768 ( -22.683 5.988 -4.561) 23.899 17.498 ( 19.534 -22.977 12.548) 32.664 18.175 ( 2.777 6.960 14.934) 16.708 19.293 ( 12.434 4.543 2.749) 13.520 19.492 ( 7.203 26.519 -15.449) 31.525 21.608 ( 6.038 5.724 1.969) 8.550 22.699 ( -4.103 -6.953 -4.645) 9.314 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( 7.521 2.733 30.921) 31.939 4.396 ( -15.564 13.501 19.008) 28.033 5.413 ( 7.389 -4.866 -9.340) 12.865 5.971 ( -5.716 -2.463 -16.481) 17.617 6.372 ( -2.278 0.467 11.017) 11.259 6.661 ( -3.272 10.685 -3.902) 11.836 7.971 ( 3.265 3.292 11.418) 12.323 8.229 ( -4.848 -5.765 -3.903) 8.484 8.659 ( -0.386 15.144 -5.291) 16.046 9.401 ( -0.510 -9.773 2.850) 10.193 9.441 ( 18.392 -6.672 -3.268) 19.836 9.574 ( -1.835 -1.388 -12.498) 12.708 9.915 ( 0.571 -15.939 12.142) 20.045 10.396 ( 5.503 -7.903 -5.744) 11.214 10.666 ( -10.435 -15.552 -2.449) 18.888 11.111 ( 13.225 6.873 -1.538) 14.984 11.714 ( 5.611 12.193 3.617) 13.901 11.985 ( -5.648 -1.993 3.029) 6.712 12.466 ( -10.126 10.177 -10.796) 17.962 12.976 ( -4.226 6.420 2.537) 8.094 14.177 ( 9.754 -7.359 0.364) 12.224 14.268 ( -1.049 -4.594 3.066) 5.622 14.926 ( 1.103 -5.307 3.320) 6.357 16.991 ( -0.917 -16.699 19.331) 25.561 17.821 ( 14.395 -2.387 -15.655) 21.401 18.068 ( 1.682 24.594 20.569) 32.106 18.499 ( -18.555 3.537 -18.364) 26.344 18.927 ( -11.552 18.693 -11.723) 24.906 21.374 ( -1.636 3.908 1.524) 4.502 22.939 ( 1.033 -4.440 -1.281) 4.735 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.014 ( 14.637 5.975 14.822) 21.671 4.333 ( -12.002 11.351 11.664) 20.223 5.503 ( 6.727 2.387 4.296) 8.331 5.774 ( -4.308 1.781 -18.676) 19.249 6.417 ( 3.460 -2.886 7.186) 8.482 6.643 ( -6.363 5.150 -2.977) 8.710 8.090 ( -1.229 -7.276 -0.956) 7.440 8.156 ( 0.871 7.662 14.085) 16.058 8.719 ( -2.430 9.384 -7.628) 12.335 9.273 ( 1.344 -13.985 -6.685) 15.559 9.428 ( -6.080 -0.361 -9.256) 11.080 9.625 ( 9.375 -5.785 -3.859) 11.673 9.908 ( 2.755 -9.599 15.340) 18.305 10.152 ( -10.974 -17.562 13.174) 24.543 10.471 ( 3.358 -6.093 -13.255) 14.970 11.384 ( 7.936 3.523 -7.232) 11.300 11.712 ( -7.532 1.258 -3.101) 8.242 12.142 ( 11.788 11.000 10.582) 19.285 12.305 ( -10.098 4.691 -8.659) 14.105 13.074 ( 2.606 9.405 0.776) 9.790 14.105 ( -3.451 -10.020 0.231) 10.600 14.316 ( 6.662 -3.152 -0.250) 7.375 14.953 ( 2.026 -1.864 2.832) 3.950 16.871 ( -3.478 -22.027 17.276) 28.209 17.927 ( 5.375 1.341 -13.759) 14.832 18.205 ( -17.730 16.078 3.110) 24.135 18.405 ( 7.516 13.048 0.106) 15.059 18.958 ( 2.583 19.651 -9.472) 21.967 21.407 ( -0.194 5.013 0.660) 5.060 22.892 ( -0.059 -6.370 0.117) 6.371 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.053 ( 0.541 -2.687 -11.990) 12.300 4.644 ( 8.018 20.174 17.774) 28.057 5.568 ( -10.063 4.669 0.307) 11.098 5.735 ( 9.329 4.312 -9.371) 13.909 6.521 ( -7.103 -0.890 -4.774) 8.604 6.563 ( 10.551 -0.442 9.090) 13.934 7.965 ( -4.571 -6.598 0.058) 8.027 8.346 ( 0.513 7.274 14.595) 16.315 8.640 ( 2.136 -14.109 -6.252) 15.579 9.073 ( -17.995 -18.901 5.387) 26.648 9.253 ( 0.432 11.443 -9.396) 14.813 9.621 ( 4.954 -4.729 -8.312) 10.770 9.950 ( -0.282 -0.886 6.712) 6.776 10.174 ( 6.956 0.820 8.662) 11.139 10.356 ( 1.805 -13.317 -4.028) 14.030 11.229 ( -18.741 9.289 -6.014) 21.764 11.793 ( 17.675 -8.087 -6.749) 20.576 12.137 ( -7.347 0.295 -6.137) 9.578 12.482 ( 7.132 10.441 9.932) 16.079 13.122 ( -4.941 1.311 -1.131) 5.236 13.998 ( 0.831 -6.756 -0.455) 6.822 14.348 ( 0.757 -0.683 -4.195) 4.317 14.936 ( -3.203 -1.473 -2.201) 4.157 16.735 ( 6.092 -27.203 12.955) 30.740 17.781 ( -17.286 13.058 -12.860) 25.193 18.225 ( -9.032 11.523 21.250) 25.806 18.682 ( 19.855 6.520 -10.999) 23.616 19.235 ( 9.494 22.312 -4.874) 24.733 21.475 ( 1.794 6.005 0.700) 6.306 22.812 ( -2.105 -7.369 0.629) 7.690 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.057 ( 9.253 1.300 -9.346) 13.216 4.963 ( 0.303 17.708 -2.830) 17.935 5.472 ( -0.371 1.467 -1.714) 2.286 5.864 ( 3.189 5.457 1.480) 6.492 6.359 ( -5.933 -2.707 -5.884) 8.784 6.794 ( 4.924 1.494 13.192) 14.160 7.856 ( -0.433 -6.920 1.102) 7.020 8.282 ( -7.384 -20.920 4.229) 22.584 8.530 ( -7.990 -5.584 0.438) 9.758 8.801 ( 5.522 -2.832 4.909) 7.913 9.344 ( -4.436 8.307 -3.214) 9.950 9.623 ( 4.432 -2.234 -7.737) 9.192 9.867 ( -3.587 0.913 -7.705) 8.548 10.288 ( 2.489 0.900 7.710) 8.152 10.423 ( 6.619 2.696 9.958) 12.257 11.030 ( -9.305 7.123 -7.950) 14.160 11.945 ( 15.553 -10.667 -7.086) 20.147 12.005 ( -3.910 -1.872 -2.745) 5.131 12.636 ( -6.193 7.012 6.221) 11.235 12.957 ( -6.313 -9.852 -0.311) 11.705 13.956 ( -0.985 -3.623 -1.071) 3.904 14.291 ( -3.986 3.094 -7.720) 9.223 14.811 ( -3.983 -4.859 -4.657) 7.820 16.700 ( 11.693 -26.709 5.849) 29.738 17.541 ( -19.007 12.871 -3.317) 23.193 18.334 ( -3.445 6.470 19.233) 20.582 19.030 ( 20.791 5.888 -6.213) 22.484 19.587 ( 8.487 24.875 -4.045) 26.592 21.593 ( 4.247 6.629 1.455) 8.006 22.687 ( -4.776 -7.753 0.266) 9.110 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.710 ( 1.819 3.542 23.840) 24.170 4.841 ( -16.945 8.536 5.211) 19.676 5.301 ( 2.910 1.774 5.879) 6.796 5.923 ( -2.469 -1.063 -12.408) 12.696 6.420 ( -1.066 -6.036 5.076) 7.958 6.762 ( 1.068 13.451 -12.441) 18.354 7.971 ( 0.671 -3.469 0.604) 3.585 8.385 ( -10.235 1.586 9.107) 13.792 8.578 ( 16.629 -2.526 0.249) 16.822 9.152 ( 7.450 -5.327 0.490) 9.172 9.223 ( 0.169 -9.855 -8.836) 13.237 9.540 ( 4.379 0.623 1.166) 4.574 9.893 ( -5.061 -10.242 8.853) 14.453 10.297 ( 2.209 6.757 -8.704) 11.238 10.511 ( 9.792 -0.456 -13.910) 17.017 11.120 ( -13.169 -10.930 6.140) 18.182 11.650 ( 14.571 9.195 8.051) 19.018 12.065 ( -1.822 -3.499 2.066) 4.453 12.660 ( -7.069 8.722 -9.851) 14.936 13.089 ( -4.991 -3.336 2.945) 6.687 13.958 ( 9.531 -4.293 3.691) 11.086 14.264 ( 0.753 -2.371 4.983) 5.570 14.894 ( -2.619 -6.965 2.070) 7.724 16.836 ( 17.156 -10.676 4.136) 20.625 17.644 ( -7.525 -3.866 -0.735) 8.492 18.389 ( 4.583 28.698 16.364) 33.352 18.646 ( -15.143 -5.038 -19.471) 25.176 19.270 ( -14.392 18.094 -8.700) 24.703 21.473 ( -3.928 5.623 0.943) 6.923 22.846 ( 2.788 -5.811 -2.960) 7.093 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.990 ( 6.212 6.932 12.319) 15.440 4.650 ( -11.779 7.849 2.622) 14.396 5.451 ( 5.224 3.067 7.717) 9.810 5.796 ( -4.138 4.790 -11.537) 13.160 6.385 ( 0.428 -5.714 5.486) 7.933 6.765 ( -5.420 6.197 -9.327) 12.440 7.998 ( 5.658 -3.990 0.259) 6.928 8.343 ( -5.894 8.531 7.254) 12.654 8.695 ( 3.071 -15.075 -3.586) 15.797 9.065 ( 8.290 -8.606 -5.256) 13.054 9.285 ( 7.071 -0.069 -6.676) 9.724 9.555 ( -4.547 0.677 3.414) 5.726 9.869 ( 4.115 -7.883 13.694) 16.328 10.292 ( -6.411 1.101 -0.999) 6.581 10.376 ( -8.588 -8.629 -6.267) 13.693 11.073 ( 14.026 -0.935 -4.983) 14.914 11.935 ( -10.779 -0.089 -3.687) 11.392 12.083 ( 15.535 8.936 13.054) 22.172 12.484 ( -13.383 1.865 -7.491) 15.450 13.082 ( 4.509 0.867 2.036) 5.023 14.039 ( 1.666 -7.059 -0.976) 7.318 14.218 ( -1.040 -4.910 4.960) 7.057 14.898 ( 5.029 -2.768 4.753) 7.453 16.925 ( -6.932 -13.409 15.150) 21.387 17.603 ( 17.148 -0.109 -14.731) 22.607 18.315 ( -7.361 4.080 -21.417) 23.011 18.792 ( -1.899 24.063 19.624) 31.108 19.144 ( -13.216 16.201 -7.861) 22.337 21.483 ( -2.163 6.529 -0.328) 6.886 22.813 ( 2.036 -7.432 0.413) 7.717 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.973 ( -5.491 -1.013 -13.851) 14.934 4.841 ( 5.811 17.853 19.067) 26.759 5.522 ( 2.821 5.523 -23.176) 23.991 5.805 ( -0.892 4.174 12.042) 12.776 6.424 ( 6.601 -5.467 6.720) 10.891 6.620 ( -7.705 0.947 -5.288) 9.393 8.030 ( -2.948 1.358 3.969) 5.127 8.379 ( 0.426 -22.445 -9.066) 24.211 8.475 ( -0.117 2.939 7.662) 8.207 9.146 ( -2.164 -1.736 0.838) 2.898 9.365 ( 12.624 -11.894 -1.095) 17.379 9.417 ( -12.715 10.029 -8.305) 18.200 9.942 ( 4.633 -8.862 17.159) 19.860 10.188 ( -0.803 0.893 -3.860) 4.043 10.241 ( -3.178 0.031 2.332) 3.942 11.313 ( 16.963 -1.029 -5.493) 17.860 11.654 ( -16.997 0.640 -6.621) 18.252 12.221 ( -10.597 -4.280 -6.813) 13.306 12.472 ( 11.502 6.724 12.251) 18.100 13.185 ( 1.649 1.504 0.258) 2.246 13.902 ( -1.581 -9.295 -3.020) 9.901 14.242 ( 4.114 -4.081 -0.160) 5.797 14.976 ( 0.895 0.755 1.943) 2.269 16.621 ( -12.197 -21.756 10.039) 26.886 17.904 ( 10.120 10.971 -8.636) 17.244 18.254 ( 13.617 6.384 -19.909) 24.951 18.845 ( -23.650 13.765 15.863) 31.630 19.264 ( 8.790 19.193 0.085) 21.110 21.525 ( -0.155 7.215 -0.754) 7.256 22.774 ( 0.092 -7.289 3.344) 8.020 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.856 ( 4.052 2.302 -14.961) 15.670 5.160 ( -0.031 14.441 8.626) 16.821 5.426 ( -0.958 5.043 -23.598) 24.150 5.915 ( 2.183 4.744 7.240) 8.927 6.377 ( -3.589 -5.087 -6.326) 8.876 6.710 ( 10.582 -2.903 14.606) 18.268 7.931 ( -9.949 -2.981 2.625) 10.712 8.123 ( 1.067 -17.841 2.923) 18.110 8.628 ( -1.739 0.180 0.764) 1.908 8.835 ( -10.937 -10.071 10.052) 17.947 9.393 ( 0.230 5.597 -14.478) 15.524 9.496 ( 7.586 4.941 -2.035) 9.279 9.947 ( -8.084 0.505 -3.307) 8.749 10.222 ( 11.740 -2.897 11.806) 16.899 10.364 ( 5.482 3.078 10.422) 12.172 11.327 ( -17.890 9.452 -9.501) 22.353 11.538 ( 14.927 -8.180 -6.438) 18.198 11.991 ( -4.325 -9.365 -4.915) 11.427 12.719 ( 4.815 2.808 9.510) 11.023 13.086 ( -11.989 -3.777 0.346) 12.575 13.844 ( 4.861 -5.714 -5.460) 9.278 14.243 ( 2.685 -3.905 -5.148) 6.997 14.923 ( -9.232 3.240 -2.642) 10.135 16.350 ( 1.515 -26.258 7.594) 27.376 17.903 ( -11.905 14.817 -12.962) 23.006 18.634 ( 26.717 5.414 -13.667) 30.494 18.692 ( -15.618 7.929 22.413) 28.445 19.626 ( 10.753 19.508 2.299) 22.394 21.610 ( 2.302 7.428 0.045) 7.777 22.708 ( -3.557 -6.204 4.961) 8.703 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.809 ( -0.000 0.000 30.329) 30.329 3.809 ( -0.000 0.000 30.329) 30.329 5.787 ( 0.000 0.000 -24.978) 24.978 5.787 ( 0.000 0.000 -24.978) 24.978 6.206 ( -0.000 0.000 29.206) 29.206 6.569 ( -0.000 0.000 1.427) 1.427 7.998 ( -0.000 0.000 5.765) 5.765 8.300 ( 0.000 -0.000 -2.902) 2.902 8.300 ( 0.000 -0.000 -2.902) 2.902 9.508 ( -0.000 0.000 5.439) 5.439 9.508 ( -0.000 0.000 5.439) 5.439 9.632 ( 0.000 -0.000 -30.476) 30.476 10.689 ( -0.000 0.000 11.127) 11.127 10.689 ( 0.000 0.000 11.127) 11.127 10.981 ( 0.000 -0.000 -0.981) 0.981 11.023 ( -0.000 0.000 -2.702) 2.702 11.023 ( 0.000 0.000 -2.702) 2.702 12.152 ( 0.000 0.000 -5.996) 5.996 12.152 ( 0.000 0.000 -5.996) 5.996 12.691 ( -0.000 0.000 0.246) 0.246 14.355 ( -0.000 0.000 -0.092) 0.092 14.355 ( 0.000 0.000 -0.092) 0.092 15.036 ( -0.000 0.000 1.791) 1.791 17.549 ( -0.000 0.000 19.679) 19.679 17.549 ( -0.000 0.000 19.679) 19.679 17.980 ( 0.000 -0.000 -0.854) 0.854 18.326 ( 0.000 -0.000 -17.902) 17.902 18.326 ( 0.000 -0.000 -17.902) 17.902 21.314 ( -0.000 0.000 1.620) 1.620 23.007 ( -0.000 0.000 0.058) 0.058 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.844 ( -8.458 3.662 27.876) 29.360 4.218 ( 18.114 2.884 13.875) 22.999 5.475 ( -9.116 -2.709 -8.150) 12.524 5.806 ( 7.785 2.168 -24.775) 26.060 6.406 ( 4.099 3.011 14.221) 15.103 6.567 ( -0.239 -1.115 0.649) 1.312 8.038 ( -1.504 0.611 12.857) 12.959 8.259 ( -0.090 -1.902 -3.356) 3.858 8.408 ( 9.211 5.148 -3.032) 10.979 9.441 ( -2.864 -3.011 -20.787) 21.198 9.530 ( -0.717 2.493 5.648) 6.215 9.547 ( -1.157 -1.629 -0.229) 2.011 10.271 ( -20.893 -8.544 10.829) 25.036 10.582 ( -14.916 -14.696 -4.590) 21.437 10.801 ( -7.021 -9.341 -7.161) 13.705 11.049 ( 4.007 8.181 8.621) 12.542 11.520 ( 16.143 13.374 -0.187) 20.964 12.058 ( -2.846 3.292 1.822) 4.717 12.203 ( 9.163 -1.963 -8.774) 12.837 12.850 ( 10.668 7.255 0.256) 12.903 14.273 ( -5.436 -5.488 1.270) 7.828 14.349 ( -2.671 1.332 -0.675) 3.060 15.016 ( -2.376 -0.256 1.129) 2.643 17.464 ( -16.909 7.072 18.285) 25.890 17.685 ( 2.403 -24.563 6.561) 25.538 17.841 ( -0.394 0.454 -3.661) 3.710 18.413 ( 10.518 20.707 -6.537) 24.127 18.515 ( 20.263 3.508 -14.295) 25.045 21.339 ( 1.564 0.894 1.167) 2.146 22.985 ( -2.001 -1.178 -0.458) 2.366 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.909 ( -6.309 4.443 20.616) 22.013 4.579 ( 19.288 4.086 -8.284) 21.386 5.380 ( -3.262 -0.166 14.519) 14.881 5.802 ( 6.134 2.398 -20.942) 21.953 6.516 ( 1.251 -2.865 -0.977) 3.275 6.564 ( -0.083 3.186 2.959) 4.349 8.056 ( -4.134 -0.019 5.520) 6.896 8.306 ( 8.459 -0.320 -0.288) 8.470 8.612 ( 5.323 6.254 4.449) 9.341 9.154 ( -12.548 -9.958 -1.983) 16.141 9.441 ( -3.978 -1.448 -6.905) 8.100 9.555 ( -4.514 -0.748 4.193) 6.207 10.121 ( 2.046 -4.695 1.328) 5.290 10.229 ( -16.544 1.846 -0.167) 16.647 10.441 ( -11.050 -11.902 -13.828) 21.330 11.229 ( 8.562 -5.754 9.250) 13.856 11.662 ( -7.949 9.985 2.178) 12.947 12.171 ( 0.277 9.023 6.233) 10.970 12.347 ( 17.103 -2.425 -11.738) 20.885 13.075 ( 7.972 4.562 0.783) 9.218 14.094 ( -10.696 -4.237 1.513) 11.603 14.304 ( -1.869 -2.773 1.043) 3.504 14.987 ( -1.528 1.053 -0.927) 2.075 17.118 ( -24.700 -4.971 -7.183) 26.199 17.669 ( 7.980 -3.341 11.747) 14.589 18.009 ( 12.728 -6.509 14.422) 20.307 18.660 ( 5.576 21.938 -15.954) 27.693 18.890 ( 22.353 4.635 -3.535) 23.101 21.404 ( 4.020 2.233 0.998) 4.706 22.909 ( -4.367 -2.566 -1.724) 5.350 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.060 ( 10.545 0.108 16.421) 19.516 4.193 ( -10.297 8.096 5.730) 14.297 5.505 ( 3.836 -0.118 2.442) 4.549 5.620 ( -3.440 2.309 -19.886) 20.313 6.466 ( 0.504 2.434 7.211) 7.628 6.575 ( -0.787 0.094 -0.384) 0.880 8.127 ( 0.909 3.238 9.633) 10.203 8.218 ( -0.495 -5.856 -1.071) 5.973 8.410 ( -0.709 13.022 -3.458) 13.492 9.329 ( -0.238 -1.683 -13.776) 13.881 9.521 ( 0.507 -3.945 3.509) 5.304 9.597 ( -0.079 3.322 -0.497) 3.360 10.338 ( 6.186 -26.927 5.937) 28.259 10.561 ( -17.099 -16.659 -1.651) 23.930 10.652 ( 8.460 -16.579 4.671) 19.190 11.207 ( 4.310 10.455 -7.309) 13.465 11.499 ( -1.618 22.806 2.080) 22.958 12.064 ( 4.613 0.169 3.027) 5.520 12.155 ( -4.869 4.405 -5.542) 8.592 12.850 ( 0.533 12.898 0.303) 12.912 14.281 ( -2.050 -7.130 0.478) 7.434 14.348 ( 2.365 -0.916 -0.655) 2.620 15.017 ( 0.431 -2.887 1.002) 3.086 17.415 ( 2.110 -23.161 18.045) 29.437 17.842 ( -0.190 -1.925 -15.097) 15.220 17.974 ( -11.857 7.196 -3.243) 14.244 18.179 ( 9.526 12.898 9.734) 18.757 18.511 ( -0.506 21.820 -9.274) 23.714 21.345 ( -0.005 2.010 0.469) 2.064 22.981 ( -0.012 -2.942 0.033) 2.943 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.032 ( -0.036 -3.908 -14.398) 14.919 4.420 ( 5.854 14.084 13.209) 20.177 5.493 ( -1.183 -0.508 -10.120) 10.201 5.643 ( 3.391 5.389 8.159) 10.350 6.506 ( -3.225 -0.093 -4.026) 5.159 6.588 ( 5.051 2.041 5.499) 7.740 8.107 ( -1.961 -7.979 -1.931) 8.440 8.239 ( 0.448 7.500 2.433) 7.897 8.595 ( 8.580 11.861 0.898) 14.666 9.231 ( -4.216 -6.077 0.902) 7.451 9.422 ( -6.101 -12.898 1.487) 14.346 9.598 ( -0.752 0.553 -4.389) 4.487 10.119 ( -12.462 -9.530 -4.363) 16.283 10.238 ( 3.314 -11.504 6.941) 13.838 10.630 ( -6.544 -10.218 1.028) 12.177 11.095 ( -6.607 0.295 -0.523) 6.635 11.806 ( 13.830 6.365 -5.159) 16.075 12.065 ( -2.013 1.395 -6.431) 6.882 12.284 ( 5.206 13.354 9.305) 17.088 13.013 ( 4.168 8.261 -1.502) 9.374 14.163 ( -2.929 -9.045 1.668) 9.652 14.325 ( -3.155 -0.261 -3.180) 4.487 14.978 ( -1.403 -3.150 -2.031) 4.002 17.255 ( -4.001 -19.375 -4.206) 20.226 17.598 ( -7.577 -2.295 3.912) 8.831 18.102 ( -1.038 12.764 17.063) 21.334 18.472 ( 17.506 8.974 -14.386) 24.371 18.791 ( 8.164 21.761 1.495) 23.290 21.387 ( 1.980 3.418 0.100) 3.952 22.927 ( -2.508 -4.344 0.055) 5.016 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.127 ( -0.000 0.000 0.000) 0.000 4.127 ( -0.000 0.000 0.000) 0.000 5.517 ( -0.000 0.000 -0.000) 0.000 5.517 ( 0.000 -0.000 -0.000) 0.000 6.459 ( -0.000 0.000 0.000) 0.000 6.582 ( -0.000 0.000 0.000) 0.000 8.126 ( -0.000 0.000 0.000) 0.000 8.274 ( -0.000 0.000 0.000) 0.000 8.274 ( -0.000 0.000 0.000) 0.000 9.290 ( -0.000 0.000 0.000) 0.000 9.559 ( -0.000 0.000 0.000) 0.000 9.559 ( -0.000 0.000 0.000) 0.000 10.825 ( -0.000 0.000 0.000) 0.000 10.825 ( -0.000 0.000 0.000) 0.000 10.961 ( -0.000 0.000 0.000) 0.000 10.961 ( 0.000 -0.000 0.000) 0.000 10.972 ( -0.000 0.000 0.000) 0.000 12.098 ( -0.000 0.000 0.000) 0.000 12.098 ( -0.000 0.000 0.000) 0.000 12.694 ( -0.000 0.000 0.000) 0.000 14.353 ( -0.000 0.000 0.000) 0.000 14.353 ( -0.000 0.000 0.000) 0.000 15.051 ( -0.000 0.000 0.000) 0.000 17.818 ( -0.000 0.000 0.000) 0.000 17.818 ( -0.000 0.000 0.000) 0.000 17.973 ( -0.000 0.000 0.000) 0.000 18.074 ( 0.000 0.000 -0.000) 0.000 18.074 ( 0.000 0.000 -0.000) 0.000 21.329 ( -0.000 0.000 0.000) 0.000 23.008 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/51840 10.0 2384.105 2384.105 2929.981 0.000 -0.000 0.000 3/51840 20.0 2466.353 2466.353 3044.333 0.000 -0.000 0.000 3/51840 30.0 1368.540 1368.540 1654.033 0.000 -0.000 0.000 3/51840 40.0 715.361 715.361 793.191 0.000 -0.000 0.000 3/51840 50.0 394.130 394.130 411.973 0.000 -0.000 0.000 3/51840 60.0 236.340 236.340 238.831 0.000 -0.000 0.000 3/51840 70.0 153.913 153.913 152.395 0.000 -0.000 0.000 3/51840 80.0 107.705 107.705 105.197 0.000 -0.000 0.000 3/51840 90.0 79.970 79.970 77.316 0.000 -0.000 0.000 3/51840 100.0 62.263 62.263 59.703 0.000 -0.000 0.000 3/51840 110.0 50.335 50.335 47.932 0.000 -0.000 0.000 3/51840 120.0 41.926 41.926 39.685 0.000 -0.000 0.000 3/51840 130.0 35.763 35.763 33.678 0.000 -0.000 0.000 3/51840 140.0 31.099 31.099 29.154 0.000 -0.000 0.000 3/51840 150.0 27.470 27.470 25.653 0.000 -0.000 0.000 3/51840 160.0 24.580 24.580 22.878 0.000 -0.000 0.000 3/51840 170.0 22.233 22.233 20.634 0.000 -0.000 0.000 3/51840 180.0 20.292 20.292 18.788 0.000 -0.000 0.000 3/51840 190.0 18.665 18.665 17.245 0.000 -0.000 0.000 3/51840 200.0 17.282 17.282 15.939 0.000 -0.000 0.000 3/51840 210.0 16.094 16.094 14.821 0.000 -0.000 0.000 3/51840 220.0 15.062 15.062 13.853 0.000 -0.000 0.000 3/51840 230.0 14.158 14.158 13.008 0.000 -0.000 0.000 3/51840 240.0 13.360 13.360 12.263 0.000 -0.000 0.000 3/51840 250.0 12.651 12.651 11.603 0.000 -0.000 0.000 3/51840 260.0 12.015 12.015 11.013 0.000 -0.000 0.000 3/51840 270.0 11.444 11.444 10.483 0.000 -0.000 0.000 3/51840 280.0 10.926 10.926 10.004 0.000 -0.000 0.000 3/51840 290.0 10.455 10.455 9.569 0.000 -0.000 0.000 3/51840 300.0 10.025 10.025 9.172 0.000 -0.000 0.000 3/51840 310.0 9.630 9.630 8.808 0.000 -0.000 0.000 3/51840 320.0 9.267 9.267 8.474 0.000 -0.000 0.000 3/51840 330.0 8.931 8.931 8.165 0.000 -0.000 0.000 3/51840 340.0 8.620 8.620 7.879 0.000 -0.000 0.000 3/51840 350.0 8.331 8.331 7.614 0.000 -0.000 0.000 3/51840 360.0 8.061 8.061 7.367 0.000 -0.000 0.000 3/51840 370.0 7.809 7.809 7.136 0.000 -0.000 0.000 3/51840 380.0 7.574 7.574 6.919 0.000 -0.000 0.000 3/51840 390.0 7.352 7.352 6.717 0.000 -0.000 0.000 3/51840 400.0 7.144 7.144 6.526 0.000 -0.000 0.000 3/51840 410.0 6.947 6.947 6.346 0.000 -0.000 0.000 3/51840 420.0 6.762 6.762 6.176 0.000 -0.000 0.000 3/51840 430.0 6.586 6.586 6.016 0.000 -0.000 0.000 3/51840 440.0 6.420 6.420 5.864 0.000 -0.000 0.000 3/51840 450.0 6.262 6.262 5.720 0.000 -0.000 0.000 3/51840 460.0 6.113 6.113 5.583 0.000 -0.000 0.000 3/51840 470.0 5.970 5.970 5.453 0.000 -0.000 0.000 3/51840 480.0 5.834 5.834 5.328 0.000 -0.000 0.000 3/51840 490.0 5.704 5.704 5.210 0.000 -0.000 0.000 3/51840 500.0 5.581 5.581 5.097 0.000 -0.000 0.000 3/51840 510.0 5.462 5.462 4.989 0.000 -0.000 0.000 3/51840 520.0 5.349 5.349 4.885 0.000 -0.000 0.000 3/51840 530.0 5.241 5.241 4.786 0.000 -0.000 0.000 3/51840 540.0 5.136 5.136 4.691 0.000 -0.000 0.000 3/51840 550.0 5.037 5.037 4.600 0.000 -0.000 0.000 3/51840 560.0 4.941 4.941 4.512 0.000 -0.000 0.000 3/51840 570.0 4.848 4.848 4.428 0.000 -0.000 0.000 3/51840 580.0 4.759 4.759 4.347 0.000 -0.000 0.000 3/51840 590.0 4.674 4.674 4.269 0.000 -0.000 0.000 3/51840 600.0 4.592 4.592 4.194 0.000 -0.000 0.000 3/51840 610.0 4.512 4.512 4.121 0.000 -0.000 0.000 3/51840 620.0 4.435 4.435 4.051 0.000 -0.000 0.000 3/51840 630.0 4.361 4.361 3.983 0.000 -0.000 0.000 3/51840 640.0 4.290 4.290 3.918 0.000 -0.000 0.000 3/51840 650.0 4.220 4.220 3.855 0.000 -0.000 0.000 3/51840 660.0 4.153 4.153 3.794 0.000 -0.000 0.000 3/51840 670.0 4.088 4.088 3.734 0.000 -0.000 0.000 3/51840 680.0 4.026 4.026 3.677 0.000 -0.000 0.000 3/51840 690.0 3.965 3.965 3.622 0.000 -0.000 0.000 3/51840 700.0 3.906 3.906 3.568 0.000 -0.000 0.000 3/51840 710.0 3.849 3.849 3.515 0.000 -0.000 0.000 3/51840 720.0 3.793 3.793 3.465 0.000 -0.000 0.000 3/51840 730.0 3.739 3.739 3.415 0.000 -0.000 0.000 3/51840 740.0 3.687 3.687 3.368 0.000 -0.000 0.000 3/51840 750.0 3.636 3.636 3.321 0.000 -0.000 0.000 3/51840 760.0 3.586 3.586 3.276 0.000 -0.000 0.000 3/51840 770.0 3.538 3.538 3.232 0.000 -0.000 0.000 3/51840 780.0 3.491 3.491 3.189 0.000 -0.000 0.000 3/51840 790.0 3.445 3.445 3.147 0.000 -0.000 0.000 3/51840 800.0 3.401 3.401 3.107 0.000 -0.000 0.000 3/51840 810.0 3.358 3.358 3.067 0.000 -0.000 0.000 3/51840 820.0 3.316 3.316 3.029 0.000 -0.000 0.000 3/51840 830.0 3.274 3.274 2.991 0.000 -0.000 0.000 3/51840 840.0 3.234 3.234 2.955 0.000 -0.000 0.000 3/51840 850.0 3.195 3.195 2.919 0.000 -0.000 0.000 3/51840 860.0 3.157 3.157 2.884 0.000 -0.000 0.000 3/51840 870.0 3.120 3.120 2.850 0.000 -0.000 0.000 3/51840 880.0 3.083 3.083 2.817 0.000 -0.000 0.000 3/51840 890.0 3.048 3.048 2.784 0.000 -0.000 0.000 3/51840 900.0 3.013 3.013 2.753 0.000 -0.000 0.000 3/51840 910.0 2.979 2.979 2.722 0.000 -0.000 0.000 3/51840 920.0 2.946 2.946 2.692 0.000 -0.000 0.000 3/51840 930.0 2.914 2.914 2.662 0.000 -0.000 0.000 3/51840 940.0 2.882 2.882 2.633 0.000 -0.000 0.000 3/51840 950.0 2.851 2.851 2.605 0.000 -0.000 0.000 3/51840 960.0 2.821 2.821 2.577 0.000 -0.000 0.000 3/51840 970.0 2.791 2.791 2.550 0.000 -0.000 0.000 3/51840 980.0 2.762 2.762 2.523 0.000 -0.000 0.000 3/51840 990.0 2.734 2.734 2.497 0.000 -0.000 0.000 3/51840 1000.0 2.706 2.706 2.472 0.000 -0.000 0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:47:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|