----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:44:04]------------------------- 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 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.663562375292074 -3.663020380000000 0.000000000000000 b 3.663562375292074 3.663020380000000 0.000000000000000 c -3.655476014291033 0.000000000000000 6.651418373107872 Atomic positions (fractional): *1 K 0.67630307679371 0.92534711642894 0.85221824383869 39.098 2 K 0.07465288357106 0.32369692320629 0.64778175616131 39.098 3 K 0.32369692320629 0.07465288357106 0.14778175616131 39.098 4 K 0.92534711642894 0.67630307679371 0.35221824383869 39.098 *5 O 0.12533729660385 0.87466270339615 0.75000000000000 15.999 6 O 0.87466270339615 0.12533729660385 0.25000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.327124750584148 0.000000000000000 0.000000000000000 b 0.000000000000000 7.326040760000000 0.000000000000000 c -3.655476014291033 0.000000000000000 6.651418373107872 Atomic positions (fractional): *1 K 0.30082509661132 0.62452201981762 0.85221824383869 39.098 > 1 2 K 0.69917490338868 0.62452201981762 0.64778175616131 39.098 > 2 3 K 0.69917490338868 0.37547798018238 0.14778175616131 39.098 > 3 4 K 0.30082509661132 0.37547798018238 0.35221824383869 39.098 > 4 5 K 0.80082509661132 0.12452201981762 0.85221824383869 39.098 > 1 6 K 0.19917490338868 0.12452201981762 0.64778175616131 39.098 > 2 7 K 0.19917490338868 0.87547798018238 0.14778175616131 39.098 > 3 8 K 0.80082509661132 0.87547798018238 0.35221824383869 39.098 > 4 *9 O 0.00000000000000 0.87466270339615 0.75000000000000 15.999 > 5 10 O 0.00000000000000 0.12533729660385 0.25000000000000 15.999 > 6 11 O 0.50000000000000 0.37466270339615 0.75000000000000 15.999 > 5 12 O 0.50000000000000 0.62533729660385 0.25000000000000 15.999 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.654249501168296 0.000000000000000 0.000000000000000 b 0.000000000000000 21.978122280000001 0.000000000000000 c -7.310952028582066 0.000000000000000 13.302836746215744 Atomic positions (fractional): *1 K 0.15041254830566 0.20817400660587 0.42610912191934 39.098 > 1 2 K 0.65041254830566 0.20817400660587 0.42610912191934 39.098 > 1 3 K 0.15041254830566 0.54150733993920 0.42610912191934 39.098 > 1 4 K 0.65041254830566 0.54150733993920 0.42610912191934 39.098 > 1 5 K 0.15041254830566 0.87484067327254 0.42610912191934 39.098 > 1 6 K 0.65041254830566 0.87484067327254 0.42610912191934 39.098 > 1 7 K 0.15041254830566 0.20817400660587 0.92610912191934 39.098 > 1 8 K 0.65041254830566 0.20817400660587 0.92610912191934 39.098 > 1 9 K 0.15041254830566 0.54150733993920 0.92610912191934 39.098 > 1 10 K 0.65041254830566 0.54150733993920 0.92610912191934 39.098 > 1 11 K 0.15041254830566 0.87484067327254 0.92610912191934 39.098 > 1 12 K 0.65041254830566 0.87484067327254 0.92610912191934 39.098 > 1 13 K 0.34958745169434 0.20817400660587 0.32389087808066 39.098 > 2 14 K 0.84958745169434 0.20817400660587 0.32389087808066 39.098 > 2 15 K 0.34958745169434 0.54150733993920 0.32389087808066 39.098 > 2 16 K 0.84958745169434 0.54150733993920 0.32389087808066 39.098 > 2 17 K 0.34958745169434 0.87484067327254 0.32389087808066 39.098 > 2 18 K 0.84958745169434 0.87484067327254 0.32389087808066 39.098 > 2 19 K 0.34958745169434 0.20817400660587 0.82389087808066 39.098 > 2 20 K 0.84958745169434 0.20817400660587 0.82389087808066 39.098 > 2 21 K 0.34958745169434 0.54150733993920 0.82389087808066 39.098 > 2 22 K 0.84958745169434 0.54150733993920 0.82389087808066 39.098 > 2 23 K 0.34958745169434 0.87484067327254 0.82389087808066 39.098 > 2 24 K 0.84958745169434 0.87484067327254 0.82389087808066 39.098 > 2 25 K 0.34958745169434 0.12515932672746 0.07389087808066 39.098 > 3 26 K 0.84958745169434 0.12515932672746 0.07389087808066 39.098 > 3 27 K 0.34958745169434 0.45849266006080 0.07389087808066 39.098 > 3 28 K 0.84958745169434 0.45849266006080 0.07389087808066 39.098 > 3 29 K 0.34958745169434 0.79182599339413 0.07389087808066 39.098 > 3 30 K 0.84958745169434 0.79182599339413 0.07389087808066 39.098 > 3 31 K 0.34958745169434 0.12515932672746 0.57389087808066 39.098 > 3 32 K 0.84958745169434 0.12515932672746 0.57389087808066 39.098 > 3 33 K 0.34958745169434 0.45849266006080 0.57389087808066 39.098 > 3 34 K 0.84958745169434 0.45849266006080 0.57389087808066 39.098 > 3 35 K 0.34958745169434 0.79182599339413 0.57389087808066 39.098 > 3 36 K 0.84958745169434 0.79182599339413 0.57389087808066 39.098 > 3 37 K 0.15041254830566 0.12515932672746 0.17610912191934 39.098 > 4 38 K 0.65041254830566 0.12515932672746 0.17610912191934 39.098 > 4 39 K 0.15041254830566 0.45849266006080 0.17610912191934 39.098 > 4 40 K 0.65041254830566 0.45849266006080 0.17610912191934 39.098 > 4 41 K 0.15041254830566 0.79182599339413 0.17610912191934 39.098 > 4 42 K 0.65041254830566 0.79182599339413 0.17610912191934 39.098 > 4 43 K 0.15041254830566 0.12515932672746 0.67610912191934 39.098 > 4 44 K 0.65041254830566 0.12515932672746 0.67610912191934 39.098 > 4 45 K 0.15041254830566 0.45849266006080 0.67610912191934 39.098 > 4 46 K 0.65041254830566 0.45849266006080 0.67610912191934 39.098 > 4 47 K 0.15041254830566 0.79182599339413 0.67610912191934 39.098 > 4 48 K 0.65041254830566 0.79182599339413 0.67610912191934 39.098 > 4 49 K 0.40041254830566 0.04150733993920 0.42610912191934 39.098 > 1 50 K 0.90041254830566 0.04150733993920 0.42610912191934 39.098 > 1 51 K 0.40041254830566 0.37484067327254 0.42610912191934 39.098 > 1 52 K 0.90041254830566 0.37484067327254 0.42610912191934 39.098 > 1 53 K 0.40041254830566 0.70817400660587 0.42610912191934 39.098 > 1 54 K 0.90041254830566 0.70817400660587 0.42610912191934 39.098 > 1 55 K 0.40041254830566 0.04150733993920 0.92610912191934 39.098 > 1 56 K 0.90041254830566 0.04150733993920 0.92610912191934 39.098 > 1 57 K 0.40041254830566 0.37484067327254 0.92610912191934 39.098 > 1 58 K 0.90041254830566 0.37484067327254 0.92610912191934 39.098 > 1 59 K 0.40041254830566 0.70817400660587 0.92610912191934 39.098 > 1 60 K 0.90041254830566 0.70817400660587 0.92610912191934 39.098 > 1 61 K 0.09958745169434 0.04150733993920 0.32389087808066 39.098 > 2 62 K 0.59958745169434 0.04150733993920 0.32389087808066 39.098 > 2 63 K 0.09958745169434 0.37484067327254 0.32389087808066 39.098 > 2 64 K 0.59958745169434 0.37484067327254 0.32389087808066 39.098 > 2 65 K 0.09958745169434 0.70817400660587 0.32389087808066 39.098 > 2 66 K 0.59958745169434 0.70817400660587 0.32389087808066 39.098 > 2 67 K 0.09958745169434 0.04150733993920 0.82389087808066 39.098 > 2 68 K 0.59958745169434 0.04150733993920 0.82389087808066 39.098 > 2 69 K 0.09958745169434 0.37484067327254 0.82389087808066 39.098 > 2 70 K 0.59958745169434 0.37484067327254 0.82389087808066 39.098 > 2 71 K 0.09958745169434 0.70817400660587 0.82389087808066 39.098 > 2 72 K 0.59958745169434 0.70817400660587 0.82389087808066 39.098 > 2 73 K 0.09958745169434 0.29182599339413 0.07389087808066 39.098 > 3 74 K 0.59958745169434 0.29182599339413 0.07389087808066 39.098 > 3 75 K 0.09958745169434 0.62515932672746 0.07389087808066 39.098 > 3 76 K 0.59958745169434 0.62515932672746 0.07389087808066 39.098 > 3 77 K 0.09958745169434 0.95849266006080 0.07389087808066 39.098 > 3 78 K 0.59958745169434 0.95849266006080 0.07389087808066 39.098 > 3 79 K 0.09958745169434 0.29182599339413 0.57389087808066 39.098 > 3 80 K 0.59958745169434 0.29182599339413 0.57389087808066 39.098 > 3 81 K 0.09958745169434 0.62515932672746 0.57389087808066 39.098 > 3 82 K 0.59958745169434 0.62515932672746 0.57389087808066 39.098 > 3 83 K 0.09958745169434 0.95849266006080 0.57389087808066 39.098 > 3 84 K 0.59958745169434 0.95849266006080 0.57389087808066 39.098 > 3 85 K 0.40041254830566 0.29182599339413 0.17610912191934 39.098 > 4 86 K 0.90041254830566 0.29182599339413 0.17610912191934 39.098 > 4 87 K 0.40041254830566 0.62515932672746 0.17610912191934 39.098 > 4 88 K 0.90041254830566 0.62515932672746 0.17610912191934 39.098 > 4 89 K 0.40041254830566 0.95849266006080 0.17610912191934 39.098 > 4 90 K 0.90041254830566 0.95849266006080 0.17610912191934 39.098 > 4 91 K 0.40041254830566 0.29182599339413 0.67610912191934 39.098 > 4 92 K 0.90041254830566 0.29182599339413 0.67610912191934 39.098 > 4 93 K 0.40041254830566 0.62515932672746 0.67610912191934 39.098 > 4 94 K 0.90041254830566 0.62515932672746 0.67610912191934 39.098 > 4 95 K 0.40041254830566 0.95849266006080 0.67610912191934 39.098 > 4 96 K 0.90041254830566 0.95849266006080 0.67610912191934 39.098 > 4 *97 O 0.00000000000000 0.29155423446538 0.37500000000000 15.999 > 5 98 O 0.50000000000000 0.29155423446538 0.37500000000000 15.999 > 5 99 O 0.00000000000000 0.62488756779872 0.37500000000000 15.999 > 5 100 O 0.50000000000000 0.62488756779872 0.37500000000000 15.999 > 5 101 O 0.00000000000000 0.95822090113205 0.37500000000000 15.999 > 5 102 O 0.50000000000000 0.95822090113205 0.37500000000000 15.999 > 5 103 O 0.00000000000000 0.29155423446538 0.87500000000000 15.999 > 5 104 O 0.50000000000000 0.29155423446538 0.87500000000000 15.999 > 5 105 O 0.00000000000000 0.62488756779872 0.87500000000000 15.999 > 5 106 O 0.50000000000000 0.62488756779872 0.87500000000000 15.999 > 5 107 O 0.00000000000000 0.95822090113205 0.87500000000000 15.999 > 5 108 O 0.50000000000000 0.95822090113205 0.87500000000000 15.999 > 5 109 O 0.00000000000000 0.04177909886795 0.12500000000000 15.999 > 6 110 O 0.50000000000000 0.04177909886795 0.12500000000000 15.999 > 6 111 O 0.00000000000000 0.37511243220128 0.12500000000000 15.999 > 6 112 O 0.50000000000000 0.37511243220128 0.12500000000000 15.999 > 6 113 O 0.00000000000000 0.70844576553462 0.12500000000000 15.999 > 6 114 O 0.50000000000000 0.70844576553462 0.12500000000000 15.999 > 6 115 O 0.00000000000000 0.04177909886795 0.62500000000000 15.999 > 6 116 O 0.50000000000000 0.04177909886795 0.62500000000000 15.999 > 6 117 O 0.00000000000000 0.37511243220128 0.62500000000000 15.999 > 6 118 O 0.50000000000000 0.37511243220128 0.62500000000000 15.999 > 6 119 O 0.00000000000000 0.70844576553462 0.62500000000000 15.999 > 6 120 O 0.50000000000000 0.70844576553462 0.62500000000000 15.999 > 6 121 O 0.25000000000000 0.12488756779872 0.37500000000000 15.999 > 5 122 O 0.75000000000000 0.12488756779872 0.37500000000000 15.999 > 5 123 O 0.25000000000000 0.45822090113205 0.37500000000000 15.999 > 5 124 O 0.75000000000000 0.45822090113205 0.37500000000000 15.999 > 5 125 O 0.25000000000000 0.79155423446538 0.37500000000000 15.999 > 5 126 O 0.75000000000000 0.79155423446538 0.37500000000000 15.999 > 5 127 O 0.25000000000000 0.12488756779872 0.87500000000000 15.999 > 5 128 O 0.75000000000000 0.12488756779872 0.87500000000000 15.999 > 5 129 O 0.25000000000000 0.45822090113205 0.87500000000000 15.999 > 5 130 O 0.75000000000000 0.45822090113205 0.87500000000000 15.999 > 5 131 O 0.25000000000000 0.79155423446538 0.87500000000000 15.999 > 5 132 O 0.75000000000000 0.79155423446538 0.87500000000000 15.999 > 5 133 O 0.25000000000000 0.20844576553462 0.12500000000000 15.999 > 6 134 O 0.75000000000000 0.20844576553462 0.12500000000000 15.999 > 6 135 O 0.25000000000000 0.54177909886795 0.12500000000000 15.999 > 6 136 O 0.75000000000000 0.54177909886795 0.12500000000000 15.999 > 6 137 O 0.25000000000000 0.87511243220128 0.12500000000000 15.999 > 6 138 O 0.75000000000000 0.87511243220128 0.12500000000000 15.999 > 6 139 O 0.25000000000000 0.20844576553462 0.62500000000000 15.999 > 6 140 O 0.75000000000000 0.20844576553462 0.62500000000000 15.999 > 6 141 O 0.25000000000000 0.54177909886795 0.62500000000000 15.999 > 6 142 O 0.75000000000000 0.54177909886795 0.62500000000000 15.999 > 6 143 O 0.25000000000000 0.87511243220128 0.62500000000000 15.999 > 6 144 O 0.75000000000000 0.87511243220128 0.62500000000000 15.999 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7689419 0.0000000 -0.0183322 0.0000000 4.7136208 0.0000000 -0.0183269 0.0000000 4.0974005 -------------------------- Born effective charges -------------------------- 1 K 0.9699851 -0.0996252 0.0002057 -0.1023451 0.9702568 0.0010013 0.0005110 -0.0012928 0.9764596 2 K 0.9699851 0.0996252 0.0002057 0.1023451 0.9702568 -0.0010013 0.0005110 0.0012928 0.9764596 3 K 0.9699851 -0.0996252 0.0002057 -0.1023451 0.9702568 0.0010013 0.0005110 -0.0012928 0.9764596 4 K 0.9699851 0.0996252 0.0002057 0.1023451 0.9702568 -0.0010013 0.0005110 0.0012928 0.9764596 5 O -1.9399701 0.0000000 -0.0004115 0.0000000 -1.9405137 0.0000000 -0.0010219 0.0000000 -1.9529191 6 O -1.9399701 0.0000000 -0.0004115 0.0000000 -1.9405137 0.0000000 -0.0010219 0.0000000 -1.9529191 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1056 Number of blocks in projector: 1056 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (1056, 1043), data: False |-- (138, 136), data: True |-- (138, 136), data: True |-- (138, 136), data: True |-- (210, 208), data: True |-- (210, 208), data: True |-- (222, 219), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.590 Solver_block: 200 / 240 - Time: 1.540 Solver_block: 240 / 240 - Time: 0.674 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.829 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1056 Number of blocks in projector: 1056 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (1056, 1043), data: False |-- (138, 136), data: True |-- (138, 136), data: True |-- (138, 136), data: True |-- (210, 208), data: True |-- (210, 208), data: True |-- (222, 219), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:44:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:44:22]------------------------- 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 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.663562375292074 -3.663020380000000 0.000000000000000 b 3.663562375292074 3.663020380000000 0.000000000000000 c -3.655476014291033 0.000000000000000 6.651418373107872 Atomic positions (fractional): 1 K 0.67630307679371 0.92534711642894 0.85221824383869 39.098 2 K 0.07465288357106 0.32369692320629 0.64778175616131 39.098 3 K 0.32369692320629 0.07465288357106 0.14778175616131 39.098 4 K 0.92534711642894 0.67630307679371 0.35221824383869 39.098 5 O 0.12533729660385 0.87466270339615 0.75000000000000 15.999 6 O 0.87466270339615 0.12533729660385 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.654249501168296 0.000000000000000 0.000000000000000 b 0.000000000000000 21.978122280000001 0.000000000000000 c -7.310952028582066 0.000000000000000 13.302836746215744 Atomic positions (fractional): 1 K 0.15041254830566 0.20817400660587 0.42610912191934 39.098 > 1 2 K 0.65041254830566 0.20817400660587 0.42610912191934 39.098 > 1 3 K 0.15041254830566 0.54150733993920 0.42610912191934 39.098 > 1 4 K 0.65041254830566 0.54150733993920 0.42610912191934 39.098 > 1 5 K 0.15041254830566 0.87484067327254 0.42610912191934 39.098 > 1 6 K 0.65041254830566 0.87484067327254 0.42610912191934 39.098 > 1 7 K 0.15041254830566 0.20817400660587 0.92610912191934 39.098 > 1 8 K 0.65041254830566 0.20817400660587 0.92610912191934 39.098 > 1 9 K 0.15041254830566 0.54150733993920 0.92610912191934 39.098 > 1 10 K 0.65041254830566 0.54150733993920 0.92610912191934 39.098 > 1 11 K 0.15041254830566 0.87484067327254 0.92610912191934 39.098 > 1 12 K 0.65041254830566 0.87484067327254 0.92610912191934 39.098 > 1 13 K 0.34958745169434 0.20817400660587 0.32389087808066 39.098 > 13 14 K 0.84958745169434 0.20817400660587 0.32389087808066 39.098 > 13 15 K 0.34958745169434 0.54150733993920 0.32389087808066 39.098 > 13 16 K 0.84958745169434 0.54150733993920 0.32389087808066 39.098 > 13 17 K 0.34958745169434 0.87484067327254 0.32389087808066 39.098 > 13 18 K 0.84958745169434 0.87484067327254 0.32389087808066 39.098 > 13 19 K 0.34958745169434 0.20817400660587 0.82389087808066 39.098 > 13 20 K 0.84958745169434 0.20817400660587 0.82389087808066 39.098 > 13 21 K 0.34958745169434 0.54150733993920 0.82389087808066 39.098 > 13 22 K 0.84958745169434 0.54150733993920 0.82389087808066 39.098 > 13 23 K 0.34958745169434 0.87484067327254 0.82389087808066 39.098 > 13 24 K 0.84958745169434 0.87484067327254 0.82389087808066 39.098 > 13 25 K 0.34958745169434 0.12515932672746 0.07389087808066 39.098 > 25 26 K 0.84958745169434 0.12515932672746 0.07389087808066 39.098 > 25 27 K 0.34958745169434 0.45849266006080 0.07389087808066 39.098 > 25 28 K 0.84958745169434 0.45849266006080 0.07389087808066 39.098 > 25 29 K 0.34958745169434 0.79182599339413 0.07389087808066 39.098 > 25 30 K 0.84958745169434 0.79182599339413 0.07389087808066 39.098 > 25 31 K 0.34958745169434 0.12515932672746 0.57389087808066 39.098 > 25 32 K 0.84958745169434 0.12515932672746 0.57389087808066 39.098 > 25 33 K 0.34958745169434 0.45849266006080 0.57389087808066 39.098 > 25 34 K 0.84958745169434 0.45849266006080 0.57389087808066 39.098 > 25 35 K 0.34958745169434 0.79182599339413 0.57389087808066 39.098 > 25 36 K 0.84958745169434 0.79182599339413 0.57389087808066 39.098 > 25 37 K 0.15041254830566 0.12515932672746 0.17610912191934 39.098 > 37 38 K 0.65041254830566 0.12515932672746 0.17610912191934 39.098 > 37 39 K 0.15041254830566 0.45849266006080 0.17610912191934 39.098 > 37 40 K 0.65041254830566 0.45849266006080 0.17610912191934 39.098 > 37 41 K 0.15041254830566 0.79182599339413 0.17610912191934 39.098 > 37 42 K 0.65041254830566 0.79182599339413 0.17610912191934 39.098 > 37 43 K 0.15041254830566 0.12515932672746 0.67610912191934 39.098 > 37 44 K 0.65041254830566 0.12515932672746 0.67610912191934 39.098 > 37 45 K 0.15041254830566 0.45849266006080 0.67610912191934 39.098 > 37 46 K 0.65041254830566 0.45849266006080 0.67610912191934 39.098 > 37 47 K 0.15041254830566 0.79182599339413 0.67610912191934 39.098 > 37 48 K 0.65041254830566 0.79182599339413 0.67610912191934 39.098 > 37 49 K 0.40041254830566 0.04150733993920 0.42610912191934 39.098 > 1 50 K 0.90041254830566 0.04150733993920 0.42610912191934 39.098 > 1 51 K 0.40041254830566 0.37484067327254 0.42610912191934 39.098 > 1 52 K 0.90041254830566 0.37484067327254 0.42610912191934 39.098 > 1 53 K 0.40041254830566 0.70817400660587 0.42610912191934 39.098 > 1 54 K 0.90041254830566 0.70817400660587 0.42610912191934 39.098 > 1 55 K 0.40041254830566 0.04150733993920 0.92610912191934 39.098 > 1 56 K 0.90041254830566 0.04150733993920 0.92610912191934 39.098 > 1 57 K 0.40041254830566 0.37484067327254 0.92610912191934 39.098 > 1 58 K 0.90041254830566 0.37484067327254 0.92610912191934 39.098 > 1 59 K 0.40041254830566 0.70817400660587 0.92610912191934 39.098 > 1 60 K 0.90041254830566 0.70817400660587 0.92610912191934 39.098 > 1 61 K 0.09958745169434 0.04150733993920 0.32389087808066 39.098 > 13 62 K 0.59958745169434 0.04150733993920 0.32389087808066 39.098 > 13 63 K 0.09958745169434 0.37484067327254 0.32389087808066 39.098 > 13 64 K 0.59958745169434 0.37484067327254 0.32389087808066 39.098 > 13 65 K 0.09958745169434 0.70817400660587 0.32389087808066 39.098 > 13 66 K 0.59958745169434 0.70817400660587 0.32389087808066 39.098 > 13 67 K 0.09958745169434 0.04150733993920 0.82389087808066 39.098 > 13 68 K 0.59958745169434 0.04150733993920 0.82389087808066 39.098 > 13 69 K 0.09958745169434 0.37484067327254 0.82389087808066 39.098 > 13 70 K 0.59958745169434 0.37484067327254 0.82389087808066 39.098 > 13 71 K 0.09958745169434 0.70817400660587 0.82389087808066 39.098 > 13 72 K 0.59958745169434 0.70817400660587 0.82389087808066 39.098 > 13 73 K 0.09958745169434 0.29182599339413 0.07389087808066 39.098 > 25 74 K 0.59958745169434 0.29182599339413 0.07389087808066 39.098 > 25 75 K 0.09958745169434 0.62515932672746 0.07389087808066 39.098 > 25 76 K 0.59958745169434 0.62515932672746 0.07389087808066 39.098 > 25 77 K 0.09958745169434 0.95849266006080 0.07389087808066 39.098 > 25 78 K 0.59958745169434 0.95849266006080 0.07389087808066 39.098 > 25 79 K 0.09958745169434 0.29182599339413 0.57389087808066 39.098 > 25 80 K 0.59958745169434 0.29182599339413 0.57389087808066 39.098 > 25 81 K 0.09958745169434 0.62515932672746 0.57389087808066 39.098 > 25 82 K 0.59958745169434 0.62515932672746 0.57389087808066 39.098 > 25 83 K 0.09958745169434 0.95849266006080 0.57389087808066 39.098 > 25 84 K 0.59958745169434 0.95849266006080 0.57389087808066 39.098 > 25 85 K 0.40041254830566 0.29182599339413 0.17610912191934 39.098 > 37 86 K 0.90041254830566 0.29182599339413 0.17610912191934 39.098 > 37 87 K 0.40041254830566 0.62515932672746 0.17610912191934 39.098 > 37 88 K 0.90041254830566 0.62515932672746 0.17610912191934 39.098 > 37 89 K 0.40041254830566 0.95849266006080 0.17610912191934 39.098 > 37 90 K 0.90041254830566 0.95849266006080 0.17610912191934 39.098 > 37 91 K 0.40041254830566 0.29182599339413 0.67610912191934 39.098 > 37 92 K 0.90041254830566 0.29182599339413 0.67610912191934 39.098 > 37 93 K 0.40041254830566 0.62515932672746 0.67610912191934 39.098 > 37 94 K 0.90041254830566 0.62515932672746 0.67610912191934 39.098 > 37 95 K 0.40041254830566 0.95849266006080 0.67610912191934 39.098 > 37 96 K 0.90041254830566 0.95849266006080 0.67610912191934 39.098 > 37 97 O 0.00000000000000 0.29155423446538 0.37500000000000 15.999 > 97 98 O 0.50000000000000 0.29155423446538 0.37500000000000 15.999 > 97 99 O 0.00000000000000 0.62488756779872 0.37500000000000 15.999 > 97 100 O 0.50000000000000 0.62488756779872 0.37500000000000 15.999 > 97 101 O 0.00000000000000 0.95822090113205 0.37500000000000 15.999 > 97 102 O 0.50000000000000 0.95822090113205 0.37500000000000 15.999 > 97 103 O 0.00000000000000 0.29155423446538 0.87500000000000 15.999 > 97 104 O 0.50000000000000 0.29155423446538 0.87500000000000 15.999 > 97 105 O 0.00000000000000 0.62488756779872 0.87500000000000 15.999 > 97 106 O 0.50000000000000 0.62488756779872 0.87500000000000 15.999 > 97 107 O 0.00000000000000 0.95822090113205 0.87500000000000 15.999 > 97 108 O 0.50000000000000 0.95822090113205 0.87500000000000 15.999 > 97 109 O 0.00000000000000 0.04177909886795 0.12500000000000 15.999 > 109 110 O 0.50000000000000 0.04177909886795 0.12500000000000 15.999 > 109 111 O 0.00000000000000 0.37511243220128 0.12500000000000 15.999 > 109 112 O 0.50000000000000 0.37511243220128 0.12500000000000 15.999 > 109 113 O 0.00000000000000 0.70844576553462 0.12500000000000 15.999 > 109 114 O 0.50000000000000 0.70844576553462 0.12500000000000 15.999 > 109 115 O 0.00000000000000 0.04177909886795 0.62500000000000 15.999 > 109 116 O 0.50000000000000 0.04177909886795 0.62500000000000 15.999 > 109 117 O 0.00000000000000 0.37511243220128 0.62500000000000 15.999 > 109 118 O 0.50000000000000 0.37511243220128 0.62500000000000 15.999 > 109 119 O 0.00000000000000 0.70844576553462 0.62500000000000 15.999 > 109 120 O 0.50000000000000 0.70844576553462 0.62500000000000 15.999 > 109 121 O 0.25000000000000 0.12488756779872 0.37500000000000 15.999 > 97 122 O 0.75000000000000 0.12488756779872 0.37500000000000 15.999 > 97 123 O 0.25000000000000 0.45822090113205 0.37500000000000 15.999 > 97 124 O 0.75000000000000 0.45822090113205 0.37500000000000 15.999 > 97 125 O 0.25000000000000 0.79155423446538 0.37500000000000 15.999 > 97 126 O 0.75000000000000 0.79155423446538 0.37500000000000 15.999 > 97 127 O 0.25000000000000 0.12488756779872 0.87500000000000 15.999 > 97 128 O 0.75000000000000 0.12488756779872 0.87500000000000 15.999 > 97 129 O 0.25000000000000 0.45822090113205 0.87500000000000 15.999 > 97 130 O 0.75000000000000 0.45822090113205 0.87500000000000 15.999 > 97 131 O 0.25000000000000 0.79155423446538 0.87500000000000 15.999 > 97 132 O 0.75000000000000 0.79155423446538 0.87500000000000 15.999 > 97 133 O 0.25000000000000 0.20844576553462 0.12500000000000 15.999 > 109 134 O 0.75000000000000 0.20844576553462 0.12500000000000 15.999 > 109 135 O 0.25000000000000 0.54177909886795 0.12500000000000 15.999 > 109 136 O 0.75000000000000 0.54177909886795 0.12500000000000 15.999 > 109 137 O 0.25000000000000 0.87511243220128 0.12500000000000 15.999 > 109 138 O 0.75000000000000 0.87511243220128 0.12500000000000 15.999 > 109 139 O 0.25000000000000 0.20844576553462 0.62500000000000 15.999 > 109 140 O 0.75000000000000 0.20844576553462 0.62500000000000 15.999 > 109 141 O 0.25000000000000 0.54177909886795 0.62500000000000 15.999 > 109 142 O 0.75000000000000 0.54177909886795 0.62500000000000 15.999 > 109 143 O 0.25000000000000 0.87511243220128 0.62500000000000 15.999 > 109 144 O 0.75000000000000 0.87511243220128 0.62500000000000 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7689419 0.0000000 -0.0183322 0.0000000 4.7136208 0.0000000 -0.0183269 0.0000000 4.0974005 -------------------------- Born effective charges -------------------------- 1 K 0.9699851 -0.0996252 0.0002057 -0.1023451 0.9702568 0.0010013 0.0005110 -0.0012928 0.9764596 2 K 0.9699851 0.0996252 0.0002057 0.1023451 0.9702568 -0.0010013 0.0005110 0.0012928 0.9764596 3 K 0.9699851 -0.0996252 0.0002057 -0.1023451 0.9702568 0.0010013 0.0005110 -0.0012928 0.9764596 4 K 0.9699851 0.0996252 0.0002057 0.1023451 0.9702568 -0.0010013 0.0005110 0.0012928 0.9764596 5 O -1.9399701 0.0000000 -0.0004115 0.0000000 -1.9405137 0.0000000 -0.0010219 0.0000000 -1.9529191 6 O -1.9399701 0.0000000 -0.0004115 0.0000000 -1.9405137 0.0000000 -0.0010219 0.0000000 -1.9529191 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:44:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:44:34]------------------------- 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 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.663562375292074 -3.663020380000000 0.000000000000000 b 3.663562375292074 3.663020380000000 0.000000000000000 c -3.655476014291033 0.000000000000000 6.651418373107872 Atomic positions (fractional): 1 K 0.67630307679371 0.92534711642894 0.85221824383869 39.098 2 K 0.07465288357106 0.32369692320629 0.64778175616131 39.098 3 K 0.32369692320629 0.07465288357106 0.14778175616131 39.098 4 K 0.92534711642894 0.67630307679371 0.35221824383869 39.098 5 O 0.12533729660385 0.87466270339615 0.75000000000000 15.999 6 O 0.87466270339615 0.12533729660385 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.654249501168296 0.000000000000000 0.000000000000000 b 0.000000000000000 21.978122280000001 0.000000000000000 c -7.310952028582066 0.000000000000000 13.302836746215744 Atomic positions (fractional): 1 K 0.15041254830566 0.20817400660587 0.42610912191934 39.098 > 1 2 K 0.65041254830566 0.20817400660587 0.42610912191934 39.098 > 1 3 K 0.15041254830566 0.54150733993920 0.42610912191934 39.098 > 1 4 K 0.65041254830566 0.54150733993920 0.42610912191934 39.098 > 1 5 K 0.15041254830566 0.87484067327254 0.42610912191934 39.098 > 1 6 K 0.65041254830566 0.87484067327254 0.42610912191934 39.098 > 1 7 K 0.15041254830566 0.20817400660587 0.92610912191934 39.098 > 1 8 K 0.65041254830566 0.20817400660587 0.92610912191934 39.098 > 1 9 K 0.15041254830566 0.54150733993920 0.92610912191934 39.098 > 1 10 K 0.65041254830566 0.54150733993920 0.92610912191934 39.098 > 1 11 K 0.15041254830566 0.87484067327254 0.92610912191934 39.098 > 1 12 K 0.65041254830566 0.87484067327254 0.92610912191934 39.098 > 1 13 K 0.34958745169434 0.20817400660587 0.32389087808066 39.098 > 13 14 K 0.84958745169434 0.20817400660587 0.32389087808066 39.098 > 13 15 K 0.34958745169434 0.54150733993920 0.32389087808066 39.098 > 13 16 K 0.84958745169434 0.54150733993920 0.32389087808066 39.098 > 13 17 K 0.34958745169434 0.87484067327254 0.32389087808066 39.098 > 13 18 K 0.84958745169434 0.87484067327254 0.32389087808066 39.098 > 13 19 K 0.34958745169434 0.20817400660587 0.82389087808066 39.098 > 13 20 K 0.84958745169434 0.20817400660587 0.82389087808066 39.098 > 13 21 K 0.34958745169434 0.54150733993920 0.82389087808066 39.098 > 13 22 K 0.84958745169434 0.54150733993920 0.82389087808066 39.098 > 13 23 K 0.34958745169434 0.87484067327254 0.82389087808066 39.098 > 13 24 K 0.84958745169434 0.87484067327254 0.82389087808066 39.098 > 13 25 K 0.34958745169434 0.12515932672746 0.07389087808066 39.098 > 25 26 K 0.84958745169434 0.12515932672746 0.07389087808066 39.098 > 25 27 K 0.34958745169434 0.45849266006080 0.07389087808066 39.098 > 25 28 K 0.84958745169434 0.45849266006080 0.07389087808066 39.098 > 25 29 K 0.34958745169434 0.79182599339413 0.07389087808066 39.098 > 25 30 K 0.84958745169434 0.79182599339413 0.07389087808066 39.098 > 25 31 K 0.34958745169434 0.12515932672746 0.57389087808066 39.098 > 25 32 K 0.84958745169434 0.12515932672746 0.57389087808066 39.098 > 25 33 K 0.34958745169434 0.45849266006080 0.57389087808066 39.098 > 25 34 K 0.84958745169434 0.45849266006080 0.57389087808066 39.098 > 25 35 K 0.34958745169434 0.79182599339413 0.57389087808066 39.098 > 25 36 K 0.84958745169434 0.79182599339413 0.57389087808066 39.098 > 25 37 K 0.15041254830566 0.12515932672746 0.17610912191934 39.098 > 37 38 K 0.65041254830566 0.12515932672746 0.17610912191934 39.098 > 37 39 K 0.15041254830566 0.45849266006080 0.17610912191934 39.098 > 37 40 K 0.65041254830566 0.45849266006080 0.17610912191934 39.098 > 37 41 K 0.15041254830566 0.79182599339413 0.17610912191934 39.098 > 37 42 K 0.65041254830566 0.79182599339413 0.17610912191934 39.098 > 37 43 K 0.15041254830566 0.12515932672746 0.67610912191934 39.098 > 37 44 K 0.65041254830566 0.12515932672746 0.67610912191934 39.098 > 37 45 K 0.15041254830566 0.45849266006080 0.67610912191934 39.098 > 37 46 K 0.65041254830566 0.45849266006080 0.67610912191934 39.098 > 37 47 K 0.15041254830566 0.79182599339413 0.67610912191934 39.098 > 37 48 K 0.65041254830566 0.79182599339413 0.67610912191934 39.098 > 37 49 K 0.40041254830566 0.04150733993920 0.42610912191934 39.098 > 1 50 K 0.90041254830566 0.04150733993920 0.42610912191934 39.098 > 1 51 K 0.40041254830566 0.37484067327254 0.42610912191934 39.098 > 1 52 K 0.90041254830566 0.37484067327254 0.42610912191934 39.098 > 1 53 K 0.40041254830566 0.70817400660587 0.42610912191934 39.098 > 1 54 K 0.90041254830566 0.70817400660587 0.42610912191934 39.098 > 1 55 K 0.40041254830566 0.04150733993920 0.92610912191934 39.098 > 1 56 K 0.90041254830566 0.04150733993920 0.92610912191934 39.098 > 1 57 K 0.40041254830566 0.37484067327254 0.92610912191934 39.098 > 1 58 K 0.90041254830566 0.37484067327254 0.92610912191934 39.098 > 1 59 K 0.40041254830566 0.70817400660587 0.92610912191934 39.098 > 1 60 K 0.90041254830566 0.70817400660587 0.92610912191934 39.098 > 1 61 K 0.09958745169434 0.04150733993920 0.32389087808066 39.098 > 13 62 K 0.59958745169434 0.04150733993920 0.32389087808066 39.098 > 13 63 K 0.09958745169434 0.37484067327254 0.32389087808066 39.098 > 13 64 K 0.59958745169434 0.37484067327254 0.32389087808066 39.098 > 13 65 K 0.09958745169434 0.70817400660587 0.32389087808066 39.098 > 13 66 K 0.59958745169434 0.70817400660587 0.32389087808066 39.098 > 13 67 K 0.09958745169434 0.04150733993920 0.82389087808066 39.098 > 13 68 K 0.59958745169434 0.04150733993920 0.82389087808066 39.098 > 13 69 K 0.09958745169434 0.37484067327254 0.82389087808066 39.098 > 13 70 K 0.59958745169434 0.37484067327254 0.82389087808066 39.098 > 13 71 K 0.09958745169434 0.70817400660587 0.82389087808066 39.098 > 13 72 K 0.59958745169434 0.70817400660587 0.82389087808066 39.098 > 13 73 K 0.09958745169434 0.29182599339413 0.07389087808066 39.098 > 25 74 K 0.59958745169434 0.29182599339413 0.07389087808066 39.098 > 25 75 K 0.09958745169434 0.62515932672746 0.07389087808066 39.098 > 25 76 K 0.59958745169434 0.62515932672746 0.07389087808066 39.098 > 25 77 K 0.09958745169434 0.95849266006080 0.07389087808066 39.098 > 25 78 K 0.59958745169434 0.95849266006080 0.07389087808066 39.098 > 25 79 K 0.09958745169434 0.29182599339413 0.57389087808066 39.098 > 25 80 K 0.59958745169434 0.29182599339413 0.57389087808066 39.098 > 25 81 K 0.09958745169434 0.62515932672746 0.57389087808066 39.098 > 25 82 K 0.59958745169434 0.62515932672746 0.57389087808066 39.098 > 25 83 K 0.09958745169434 0.95849266006080 0.57389087808066 39.098 > 25 84 K 0.59958745169434 0.95849266006080 0.57389087808066 39.098 > 25 85 K 0.40041254830566 0.29182599339413 0.17610912191934 39.098 > 37 86 K 0.90041254830566 0.29182599339413 0.17610912191934 39.098 > 37 87 K 0.40041254830566 0.62515932672746 0.17610912191934 39.098 > 37 88 K 0.90041254830566 0.62515932672746 0.17610912191934 39.098 > 37 89 K 0.40041254830566 0.95849266006080 0.17610912191934 39.098 > 37 90 K 0.90041254830566 0.95849266006080 0.17610912191934 39.098 > 37 91 K 0.40041254830566 0.29182599339413 0.67610912191934 39.098 > 37 92 K 0.90041254830566 0.29182599339413 0.67610912191934 39.098 > 37 93 K 0.40041254830566 0.62515932672746 0.67610912191934 39.098 > 37 94 K 0.90041254830566 0.62515932672746 0.67610912191934 39.098 > 37 95 K 0.40041254830566 0.95849266006080 0.67610912191934 39.098 > 37 96 K 0.90041254830566 0.95849266006080 0.67610912191934 39.098 > 37 97 O 0.00000000000000 0.29155423446538 0.37500000000000 15.999 > 97 98 O 0.50000000000000 0.29155423446538 0.37500000000000 15.999 > 97 99 O 0.00000000000000 0.62488756779872 0.37500000000000 15.999 > 97 100 O 0.50000000000000 0.62488756779872 0.37500000000000 15.999 > 97 101 O 0.00000000000000 0.95822090113205 0.37500000000000 15.999 > 97 102 O 0.50000000000000 0.95822090113205 0.37500000000000 15.999 > 97 103 O 0.00000000000000 0.29155423446538 0.87500000000000 15.999 > 97 104 O 0.50000000000000 0.29155423446538 0.87500000000000 15.999 > 97 105 O 0.00000000000000 0.62488756779872 0.87500000000000 15.999 > 97 106 O 0.50000000000000 0.62488756779872 0.87500000000000 15.999 > 97 107 O 0.00000000000000 0.95822090113205 0.87500000000000 15.999 > 97 108 O 0.50000000000000 0.95822090113205 0.87500000000000 15.999 > 97 109 O 0.00000000000000 0.04177909886795 0.12500000000000 15.999 > 109 110 O 0.50000000000000 0.04177909886795 0.12500000000000 15.999 > 109 111 O 0.00000000000000 0.37511243220128 0.12500000000000 15.999 > 109 112 O 0.50000000000000 0.37511243220128 0.12500000000000 15.999 > 109 113 O 0.00000000000000 0.70844576553462 0.12500000000000 15.999 > 109 114 O 0.50000000000000 0.70844576553462 0.12500000000000 15.999 > 109 115 O 0.00000000000000 0.04177909886795 0.62500000000000 15.999 > 109 116 O 0.50000000000000 0.04177909886795 0.62500000000000 15.999 > 109 117 O 0.00000000000000 0.37511243220128 0.62500000000000 15.999 > 109 118 O 0.50000000000000 0.37511243220128 0.62500000000000 15.999 > 109 119 O 0.00000000000000 0.70844576553462 0.62500000000000 15.999 > 109 120 O 0.50000000000000 0.70844576553462 0.62500000000000 15.999 > 109 121 O 0.25000000000000 0.12488756779872 0.37500000000000 15.999 > 97 122 O 0.75000000000000 0.12488756779872 0.37500000000000 15.999 > 97 123 O 0.25000000000000 0.45822090113205 0.37500000000000 15.999 > 97 124 O 0.75000000000000 0.45822090113205 0.37500000000000 15.999 > 97 125 O 0.25000000000000 0.79155423446538 0.37500000000000 15.999 > 97 126 O 0.75000000000000 0.79155423446538 0.37500000000000 15.999 > 97 127 O 0.25000000000000 0.12488756779872 0.87500000000000 15.999 > 97 128 O 0.75000000000000 0.12488756779872 0.87500000000000 15.999 > 97 129 O 0.25000000000000 0.45822090113205 0.87500000000000 15.999 > 97 130 O 0.75000000000000 0.45822090113205 0.87500000000000 15.999 > 97 131 O 0.25000000000000 0.79155423446538 0.87500000000000 15.999 > 97 132 O 0.75000000000000 0.79155423446538 0.87500000000000 15.999 > 97 133 O 0.25000000000000 0.20844576553462 0.12500000000000 15.999 > 109 134 O 0.75000000000000 0.20844576553462 0.12500000000000 15.999 > 109 135 O 0.25000000000000 0.54177909886795 0.12500000000000 15.999 > 109 136 O 0.75000000000000 0.54177909886795 0.12500000000000 15.999 > 109 137 O 0.25000000000000 0.87511243220128 0.12500000000000 15.999 > 109 138 O 0.75000000000000 0.87511243220128 0.12500000000000 15.999 > 109 139 O 0.25000000000000 0.20844576553462 0.62500000000000 15.999 > 109 140 O 0.75000000000000 0.20844576553462 0.62500000000000 15.999 > 109 141 O 0.25000000000000 0.54177909886795 0.62500000000000 15.999 > 109 142 O 0.75000000000000 0.54177909886795 0.62500000000000 15.999 > 109 143 O 0.25000000000000 0.87511243220128 0.62500000000000 15.999 > 109 144 O 0.75000000000000 0.87511243220128 0.62500000000000 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7689419 0.0000000 -0.0183322 0.0000000 4.7136208 0.0000000 -0.0183269 0.0000000 4.0974005 -------------------------- Born effective charges -------------------------- 1 K 0.9699851 -0.0996252 0.0002057 -0.1023451 0.9702568 0.0010013 0.0005110 -0.0012928 0.9764596 2 K 0.9699851 0.0996252 0.0002057 0.1023451 0.9702568 -0.0010013 0.0005110 0.0012928 0.9764596 3 K 0.9699851 -0.0996252 0.0002057 -0.1023451 0.9702568 0.0010013 0.0005110 -0.0012928 0.9764596 4 K 0.9699851 0.0996252 0.0002057 0.1023451 0.9702568 -0.0010013 0.0005110 0.0012928 0.9764596 5 O -1.9399701 0.0000000 -0.0004115 0.0000000 -1.9405137 0.0000000 -0.0010219 0.0000000 -1.9529191 6 O -1.9399701 0.0000000 -0.0004115 0.0000000 -1.9405137 0.0000000 -0.0010219 0.0000000 -1.9529191 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 10 10 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.74, Number of G-points: 309, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/227) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 227 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 1.198 ( 0.000 0.000 0.000) 0.000 1.199 ( 0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.180 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.996 ( 0.000 0.000 0.000) 0.000 6.648 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 7.924 ( 0.000 0.000 0.000) 0.000 8.925 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/227) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.260 ( 13.737 -4.430 4.831) 15.221 0.356 ( 8.072 -11.345 15.644) 20.943 0.921 ( 29.599 -30.111 5.926) 42.636 1.264 ( 3.782 -4.632 0.777) 6.031 1.284 ( 6.227 -5.368 2.350) 8.551 2.955 ( -2.030 1.434 -5.896) 6.399 3.213 ( 2.026 -1.843 -10.299) 10.657 4.127 ( -3.507 2.935 -3.486) 5.750 4.172 ( 0.168 0.372 3.996) 4.017 4.206 ( 1.953 -1.974 -0.352) 2.799 4.571 ( 19.085 -18.844 0.089) 26.820 4.975 ( -1.645 1.304 -0.145) 2.104 6.680 ( 1.983 -2.878 -3.041) 4.633 6.754 ( -0.701 -2.132 -0.357) 2.273 6.761 ( 2.621 1.535 3.185) 4.401 7.594 ( 14.101 -16.830 -57.158) 61.230 8.732 ( -15.323 14.414 42.585) 47.498 9.105 ( 1.779 -3.321 19.556) 19.916 ======================= Grid point 2 (3/227) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 11.924 -6.886 5.553) 14.847 0.762 ( 11.165 -12.604 12.289) 20.845 1.409 ( 14.740 0.532 -1.352) 14.812 1.412 ( -0.974 -14.939 -0.652) 14.984 1.783 ( 21.951 -21.249 13.143) 33.258 2.819 ( -4.437 3.367 -9.581) 11.082 3.211 ( 3.859 -3.648 -8.229) 9.793 3.953 ( -5.545 5.730 -8.597) 11.725 4.198 ( -1.001 0.879 6.081) 6.225 4.283 ( 3.889 -3.909 -0.641) 5.551 4.915 ( -2.755 2.428 -0.764) 3.751 5.171 ( 21.468 -21.314 -0.063) 30.252 6.705 ( 1.781 -1.100 -3.754) 4.299 6.783 ( -0.053 -3.853 -0.571) 3.896 6.833 ( 4.720 -0.417 3.799) 6.073 7.585 ( 6.576 -9.593 -30.798) 32.921 8.702 ( -6.333 6.285 26.018) 27.505 9.287 ( 0.868 -3.342 9.342) 9.960 ======================= Grid point 3 (4/227) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 10.378 -6.516 7.771) 14.511 1.158 ( 10.522 -11.700 7.501) 17.432 1.564 ( 10.676 -0.511 -0.987) 10.734 1.597 ( 1.323 -11.183 -1.211) 11.326 2.315 ( 9.182 -8.643 13.766) 18.669 2.603 ( -7.129 5.307 -10.496) 13.754 3.352 ( 11.282 -11.065 -6.333) 17.024 3.715 ( -5.955 6.365 -10.155) 13.382 4.205 ( -1.832 1.804 5.810) 6.353 4.402 ( 4.420 -4.909 -0.134) 6.607 4.832 ( -2.490 2.577 -1.286) 3.807 5.575 ( 7.552 -7.682 -2.899) 11.156 6.698 ( -0.004 0.294 -3.502) 3.515 6.827 ( -0.689 -1.546 0.574) 1.787 7.004 ( 9.988 -6.840 3.819) 12.694 7.587 ( 6.543 -7.976 -22.332) 24.600 8.763 ( -1.879 2.747 20.483) 20.751 9.334 ( -3.725 1.316 4.262) 5.811 ======================= Grid point 4 (5/227) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 7.544 -4.578 7.388) 11.508 1.453 ( 6.624 -7.601 3.204) 10.580 1.700 ( 12.069 2.520 -1.093) 12.378 1.718 ( -3.801 -10.155 -1.365) 10.929 2.341 ( -7.699 6.611 -8.317) 13.121 2.525 ( 1.162 -1.755 10.615) 10.822 3.483 ( -4.160 4.427 -8.797) 10.691 3.665 ( 10.948 -10.900 -2.130) 15.596 4.192 ( -1.507 1.629 3.548) 4.184 4.488 ( 0.341 -1.038 -0.346) 1.146 4.810 ( 2.404 -1.869 0.339) 3.064 5.591 ( -2.552 2.450 -3.595) 5.043 6.651 ( -1.424 1.048 -2.602) 3.146 6.821 ( -1.152 0.385 0.710) 1.407 7.232 ( 5.046 -3.804 1.988) 6.625 7.687 ( 9.822 -9.327 -12.913) 18.714 8.872 ( 1.373 0.077 14.472) 14.537 9.225 ( -7.000 4.967 -0.165) 8.585 ======================= Grid point 5 (6/227) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.000 -0.000 0.000) 0.000 1.570 ( 0.000 -0.000 0.000) 0.000 1.742 ( 0.000 -0.000 0.000) 0.000 1.792 ( -0.000 0.000 -0.000) 0.000 2.175 ( 0.000 -0.000 0.000) 0.000 2.589 ( 0.000 -0.000 -0.000) 0.000 3.378 ( 0.000 -0.000 0.000) 0.000 3.825 ( 0.000 -0.000 0.000) 0.000 4.182 ( 0.000 -0.000 0.000) 0.000 4.473 ( 0.000 -0.000 0.000) 0.000 4.878 ( 0.000 -0.000 0.000) 0.000 5.513 ( -0.000 0.000 0.000) 0.000 6.619 ( 0.000 -0.000 0.000) 0.000 6.811 ( -0.000 -0.000 0.000) 0.000 7.287 ( 0.000 -0.000 0.000) 0.000 7.798 ( 0.000 -0.000 0.000) 0.000 8.991 ( -0.000 0.000 -0.000) 0.000 9.077 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/227) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 12.161 0.000 14.315) 18.783 0.798 ( 25.509 0.000 3.736) 25.781 1.064 ( 17.992 0.000 1.169) 18.030 1.337 ( 16.464 0.000 16.025) 22.975 1.451 ( 16.134 0.000 0.432) 16.140 2.897 ( 0.129 0.000 -12.357) 12.358 3.160 ( 4.710 0.000 -11.965) 12.859 4.014 ( -6.632 -0.000 -4.964) 8.284 4.208 ( 2.832 0.000 -1.919) 3.421 4.489 ( 17.081 0.000 6.003) 18.105 4.625 ( 20.111 0.000 0.166) 20.111 4.911 ( -6.164 -0.000 0.372) 6.176 6.662 ( 4.056 0.000 -3.942) 5.656 6.721 ( -1.159 -0.000 -0.226) 1.181 6.838 ( 3.180 0.000 4.264) 5.319 7.424 ( 20.091 0.000 -37.162) 42.246 8.984 ( 1.172 0.000 4.920) 5.058 9.099 ( -15.139 -0.000 38.046) 40.947 ======================= Grid point 13 (8/227) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 11.317 -5.812 9.535) 15.899 1.032 ( 22.287 10.515 6.862) 25.581 1.251 ( 2.698 -8.093 1.687) 8.696 1.660 ( 19.166 3.197 -0.169) 19.431 1.956 ( 23.595 -13.923 17.414) 32.463 2.771 ( 1.461 4.310 -14.304) 15.010 3.164 ( 6.424 -2.534 -9.989) 12.144 3.850 ( -6.960 3.047 -8.545) 11.434 4.256 ( 3.765 -2.872 -2.424) 5.319 4.547 ( 16.255 18.978 5.234) 25.530 4.830 ( -7.109 -1.941 -0.879) 7.422 5.164 ( 19.253 -20.349 0.648) 28.021 6.699 ( 3.877 -0.224 -2.800) 4.788 6.737 ( 0.895 -3.058 -0.345) 3.205 6.924 ( 4.943 -0.489 4.078) 6.427 7.441 ( 13.270 -2.672 -25.353) 28.741 8.944 ( -0.697 9.606 15.730) 18.444 9.258 ( -5.304 -6.668 14.472) 16.794 ======================= Grid point 14 (9/227) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 6.159 -7.050 4.108) 10.223 1.274 ( 17.806 3.161 8.886) 20.150 1.426 ( 4.062 -6.979 5.035) 9.516 1.839 ( 16.763 5.981 -2.605) 17.988 2.392 ( 6.388 -1.653 4.792) 8.155 2.664 ( 8.149 7.415 -3.293) 11.499 3.315 ( 13.049 -10.867 -6.771) 18.281 3.630 ( -6.640 4.817 -9.099) 12.251 4.342 ( 3.192 -3.848 -0.910) 5.082 4.535 ( 13.076 17.703 4.452) 22.455 4.767 ( -4.096 -2.579 -1.354) 5.026 5.525 ( 5.033 -7.763 -3.260) 9.809 6.713 ( 3.006 2.718 -2.008) 4.523 6.803 ( 1.415 -2.449 -0.425) 2.860 7.087 ( 9.134 -5.183 4.336) 11.362 7.493 ( 12.875 -4.286 -18.269) 22.757 8.957 ( 0.561 5.764 14.550) 15.660 9.305 ( -6.483 -0.016 6.590) 9.244 ======================= Grid point 15 (10/227) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -0.531 -6.010 1.487) 6.214 1.518 ( 7.428 -1.124 7.432) 10.567 1.627 ( 8.746 -4.294 6.822) 11.895 1.879 ( 8.943 10.364 -5.559) 14.775 2.378 ( 9.278 8.697 -6.659) 14.355 2.696 ( 7.105 7.971 3.283) 11.171 3.424 ( -4.416 2.981 -4.866) 7.215 3.647 ( 10.743 -11.364 -1.389) 15.700 4.402 ( 0.272 -1.120 0.419) 1.226 4.481 ( 9.091 15.399 2.158) 18.012 4.811 ( 3.617 -4.126 1.241) 5.625 5.522 ( -4.017 0.259 -5.488) 6.806 6.689 ( 3.088 4.555 -0.729) 5.551 6.817 ( -0.078 0.178 -0.585) 0.616 7.265 ( 4.472 -1.883 0.146) 4.854 7.685 ( 16.258 -7.230 -7.864) 19.453 9.005 ( 1.027 2.580 9.524) 9.920 9.190 ( -8.401 5.306 1.874) 10.112 ======================= Grid point 16 (11/227) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -2.984 -1.190 0.784) 3.306 1.575 ( -4.160 0.246 -0.190) 4.171 1.706 ( -3.385 6.734 -3.727) 8.408 1.895 ( 15.262 6.163 8.518) 18.533 2.389 ( 15.304 10.569 -1.070) 18.629 2.650 ( 5.804 7.338 -9.550) 13.369 3.388 ( 0.320 -2.083 5.804) 6.175 3.816 ( -0.346 -1.265 0.211) 1.328 4.407 ( -3.969 -4.377 0.477) 5.928 4.430 ( 15.280 16.642 -0.065) 22.593 4.889 ( -1.112 1.933 2.204) 3.135 5.461 ( 0.035 -4.686 -3.237) 5.695 6.682 ( 4.084 3.477 0.990) 5.455 6.812 ( 0.940 -0.031 -0.905) 1.305 7.294 ( 0.725 1.296 -1.311) 1.980 7.882 ( 6.712 2.301 3.753) 8.027 8.949 ( -5.006 5.209 -7.226) 10.218 9.114 ( 1.738 -1.459 5.186) 5.661 ======================= Grid point 17 (12/227) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 0.288 9.429 -0.219) 9.436 1.411 ( -8.438 4.426 -5.211) 10.860 1.533 ( -6.398 7.473 -0.478) 9.850 1.999 ( 8.767 12.193 5.358) 15.945 2.410 ( 4.530 6.324 -6.516) 10.147 2.627 ( 13.848 4.429 -2.844) 14.815 3.540 ( 3.877 -5.675 9.519) 11.741 3.673 ( -10.779 9.794 1.755) 14.669 4.406 ( 10.968 11.114 -0.555) 15.624 4.462 ( 4.116 0.480 -0.674) 4.198 4.789 ( -4.553 2.941 -0.090) 5.421 5.573 ( 1.519 -6.065 1.527) 6.437 6.711 ( 2.800 1.612 1.997) 3.798 6.832 ( 2.578 -0.189 -1.622) 3.051 7.208 ( -5.293 6.042 -2.739) 8.487 7.873 ( -2.142 11.698 17.736) 21.354 8.774 ( 1.394 2.848 -15.975) 16.287 9.225 ( 2.794 -5.323 -0.316) 6.020 ======================= Grid point 18 (13/227) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.428 18.400 0.465) 18.411 1.167 ( -1.475 14.671 -6.825) 16.248 1.352 ( -9.984 -0.270 -1.023) 10.040 1.894 ( 4.266 18.633 2.094) 19.229 2.233 ( -5.816 11.120 -10.655) 16.462 2.787 ( 11.132 1.799 5.760) 12.662 3.390 ( -9.540 9.638 3.579) 14.026 3.753 ( 3.898 -7.342 7.535) 11.220 4.383 ( 2.295 7.766 2.285) 8.415 4.469 ( 13.905 12.277 -3.824) 18.939 4.768 ( -2.575 -6.465 -0.372) 6.969 5.565 ( -9.166 5.646 1.816) 10.917 6.722 ( -0.732 1.227 0.983) 1.734 6.836 ( -0.148 0.944 -2.136) 2.340 6.977 ( -6.487 8.725 -1.149) 10.932 7.858 ( -0.674 10.478 24.494) 26.649 8.674 ( 9.010 2.224 -20.190) 22.221 9.280 ( -2.700 -3.406 -3.786) 5.764 ======================= Grid point 19 (14/227) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -8.007 18.573 -2.838) 20.423 0.954 ( 14.552 24.421 -3.215) 28.609 1.247 ( -7.185 -1.571 0.250) 7.359 1.675 ( 0.302 19.964 1.179) 20.001 1.745 ( -16.346 25.463 -7.775) 31.241 2.932 ( 5.634 -0.020 4.528) 7.228 3.263 ( -1.721 2.835 3.563) 4.867 3.936 ( 1.635 -7.404 3.355) 8.292 4.304 ( -1.570 5.795 2.390) 6.462 4.479 ( 19.673 16.850 -2.936) 26.068 4.838 ( -2.238 -7.896 -0.449) 8.220 5.158 ( -21.918 20.537 0.164) 30.037 6.688 ( -2.303 -1.283 -0.507) 2.684 6.775 ( -2.486 2.880 -0.709) 3.870 6.853 ( -0.198 4.860 0.649) 4.907 7.911 ( -0.317 7.857 23.446) 24.729 8.664 ( 17.424 4.065 -19.023) 26.115 9.160 ( -12.479 0.946 -5.333) 13.604 ======================= Grid point 20 (15/227) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( -0.000 17.940 -0.000) 17.940 0.772 ( -0.000 25.589 -0.000) 25.589 1.060 ( -0.000 37.435 -0.000) 37.435 1.212 ( 0.000 -0.067 0.000) 0.067 1.444 ( -0.000 16.117 -0.000) 16.117 2.994 ( 0.000 -0.460 0.000) 0.460 3.258 ( -0.000 0.313 -0.000) 0.313 4.047 ( 0.000 -5.972 0.000) 5.972 4.234 ( -0.000 3.991 -0.000) 3.991 4.431 ( -0.000 17.731 -0.000) 17.731 4.628 ( -0.000 19.555 -0.000) 19.555 4.913 ( 0.000 -5.901 0.000) 5.901 6.701 ( -0.000 3.410 -0.000) 3.410 6.702 ( 0.000 -2.637 0.000) 2.637 6.800 ( -0.000 3.606 -0.000) 3.606 7.958 ( -0.000 2.531 -0.000) 2.531 8.678 ( -0.000 9.680 -0.000) 9.680 8.942 ( -0.000 1.292 -0.000) 1.292 ======================= Grid point 23 (16/227) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 2.322 0.000 4.235) 4.829 1.296 ( 10.761 0.000 7.297) 13.002 1.396 ( 10.591 0.000 3.829) 11.262 1.971 ( 19.550 0.000 1.038) 19.577 2.356 ( 25.350 0.000 19.214) 31.809 2.740 ( 7.639 0.000 -16.160) 17.874 3.181 ( 8.881 0.000 -8.417) 12.236 3.711 ( -7.462 -0.000 -8.454) 11.276 4.262 ( 5.084 0.000 -5.255) 7.312 4.703 ( -7.867 -0.000 -0.599) 7.890 5.020 ( 11.719 0.000 5.215) 12.827 5.232 ( 21.321 0.000 -0.989) 21.344 6.735 ( 3.140 0.000 0.564) 3.190 6.759 ( 5.080 0.000 -0.521) 5.106 7.022 ( 6.459 0.000 3.294) 7.251 7.438 ( 13.090 0.000 -19.990) 23.895 9.096 ( 0.476 0.000 5.476) 5.497 9.255 ( -5.504 -0.000 17.572) 18.413 ======================= Grid point 24 (17/227) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -1.881 -6.852 1.430) 7.248 1.484 ( 0.296 -1.335 0.063) 1.368 1.550 ( 13.103 -1.519 10.289) 16.729 2.192 ( 18.448 7.198 1.673) 19.873 2.629 ( 16.776 11.607 -3.542) 20.705 2.873 ( 13.023 -0.397 4.697) 13.850 3.321 ( 13.458 -7.847 -5.330) 16.465 3.526 ( -7.427 2.615 -6.977) 10.520 4.311 ( 4.021 -1.939 -4.341) 6.227 4.631 ( -5.064 -4.831 -0.798) 7.044 5.040 ( 10.917 15.787 4.261) 19.661 5.501 ( 8.388 -2.221 -3.842) 9.490 6.807 ( 4.247 2.662 0.829) 5.080 6.809 ( 4.059 -0.572 0.011) 4.099 7.178 ( 9.250 -3.332 3.120) 10.315 7.512 ( 14.976 -3.586 -14.257) 20.986 9.106 ( -0.450 3.413 6.382) 7.251 9.283 ( -6.564 1.113 9.527) 11.622 ======================= Grid point 25 (18/227) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -4.269 -8.853 0.849) 9.865 1.469 ( -6.197 -5.215 -3.449) 8.803 1.795 ( 9.646 1.680 9.620) 13.726 2.304 ( 17.245 14.206 3.864) 22.674 2.675 ( 20.051 10.670 -7.735) 23.994 2.948 ( 8.665 12.053 -2.164) 15.001 3.370 ( -4.542 0.451 1.072) 4.689 3.620 ( 8.892 -10.924 -1.915) 14.216 4.316 ( -3.527 -1.039 -0.203) 3.683 4.717 ( 4.044 -7.474 -0.363) 8.505 5.006 ( 9.584 14.110 4.660) 17.682 5.481 ( 2.314 6.277 -6.416) 9.269 6.816 ( 4.152 5.178 0.163) 6.639 6.831 ( 1.914 1.731 0.198) 2.588 7.318 ( 5.999 0.559 -1.066) 6.119 7.769 ( 17.590 -8.829 -4.442) 20.177 9.082 ( -2.655 3.656 2.096) 4.981 9.187 ( -7.066 5.105 5.829) 10.487 ======================= Grid point 26 (19/227) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -7.996 -7.358 0.208) 10.869 1.432 ( -5.343 -5.826 -3.938) 8.831 1.852 ( 2.643 11.472 6.085) 13.252 2.366 ( 15.558 14.930 5.647) 22.290 2.761 ( 12.292 6.118 -11.165) 17.697 2.800 ( 14.001 18.028 -5.123) 23.394 3.418 ( 0.818 -3.174 9.811) 10.344 3.774 ( -0.425 -3.690 -1.977) 4.207 4.285 ( -4.525 -4.146 0.746) 6.182 4.832 ( 8.828 4.820 -0.587) 10.075 4.958 ( -1.500 9.038 4.618) 10.260 5.437 ( 10.119 2.206 -4.373) 11.243 6.792 ( 2.419 4.027 -0.061) 4.698 6.848 ( 3.988 2.033 0.193) 4.480 7.331 ( 2.078 3.794 -2.313) 4.905 8.052 ( 10.072 -1.504 5.986) 11.813 8.907 ( -5.790 6.984 -6.907) 11.402 9.139 ( -1.361 0.029 3.401) 3.663 ======================= Grid point 27 (20/227) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -10.429 -6.148 -0.675) 12.125 1.423 ( 0.380 -0.488 -2.171) 2.257 1.675 ( -2.278 18.147 2.521) 18.462 2.369 ( 9.663 16.054 3.674) 19.095 2.567 ( 6.065 14.247 -12.387) 19.829 2.910 ( 16.120 7.550 1.039) 17.831 3.571 ( 1.122 -4.499 8.349) 9.550 3.670 ( -7.302 7.007 0.515) 10.133 4.347 ( -0.540 -8.828 -0.010) 8.845 4.765 ( -5.354 9.741 2.801) 11.463 4.885 ( 12.051 8.904 -2.754) 15.235 5.574 ( 8.963 0.065 0.657) 8.987 6.776 ( 1.358 2.716 0.120) 3.039 6.873 ( 3.144 1.920 -0.675) 3.745 7.218 ( -4.000 8.151 -2.987) 9.559 8.156 ( -0.092 9.312 19.799) 21.880 8.735 ( 4.582 1.830 -16.521) 17.242 9.160 ( -1.782 -3.468 -0.710) 3.963 ======================= Grid point 28 (21/227) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -7.203 -2.641 -0.204) 7.675 1.374 ( -2.579 18.123 -0.247) 18.307 1.409 ( 3.492 6.852 -1.200) 7.784 2.228 ( 3.097 19.712 1.299) 19.996 2.351 ( 2.428 18.384 -6.945) 19.801 2.998 ( 7.404 5.508 2.229) 9.493 3.416 ( -6.573 8.575 1.092) 10.859 3.747 ( 2.080 -5.925 4.649) 7.813 4.459 ( 2.793 -0.965 1.223) 3.198 4.611 ( -6.830 -1.450 0.050) 6.983 4.926 ( 15.521 10.975 -1.762) 19.091 5.572 ( -2.798 10.710 0.937) 11.109 6.721 ( -2.867 3.670 -1.347) 4.848 6.861 ( 0.890 3.232 0.169) 3.356 7.018 ( -3.164 7.727 -1.246) 8.442 8.137 ( -2.189 9.788 16.084) 18.955 8.747 ( 13.968 -0.079 -12.225) 18.563 9.133 ( -7.595 -2.264 -2.369) 8.272 ======================= Grid point 29 (22/227) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -0.000 15.706 -0.000) 15.706 1.190 ( -0.000 2.256 -0.000) 2.256 1.319 ( -0.000 12.933 -0.000) 12.933 1.969 ( -0.000 20.896 -0.000) 20.896 1.989 ( -0.000 29.315 -0.000) 29.315 3.002 ( -0.000 2.118 -0.000) 2.118 3.302 ( -0.000 3.730 -0.000) 3.730 3.865 ( 0.000 -6.730 0.000) 6.730 4.398 ( -0.000 8.034 -0.000) 8.034 4.684 ( 0.000 -10.758 0.000) 10.758 4.915 ( -0.000 13.517 -0.000) 13.517 5.246 ( -0.000 23.477 -0.000) 23.477 6.654 ( -0.000 0.589 -0.000) 0.589 6.815 ( -0.000 4.325 -0.000) 4.325 6.918 ( -0.000 4.832 -0.000) 4.832 8.075 ( -0.000 6.443 -0.000) 6.443 8.864 ( -0.000 1.508 -0.000) 1.508 8.997 ( -0.000 2.670 -0.000) 2.670 ======================= Grid point 34 (23/227) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -1.907 -0.000 1.180) 2.243 1.388 ( -6.688 -0.000 -6.105) 9.056 1.818 ( 13.762 0.000 12.792) 18.789 2.481 ( 15.313 0.000 1.305) 15.369 2.957 ( 18.378 0.000 -8.658) 20.315 3.077 ( 11.457 0.000 8.393) 14.202 3.399 ( -6.405 -0.000 -3.747) 7.420 3.400 ( 10.778 0.000 -3.364) 11.291 4.363 ( 9.148 0.000 -5.981) 10.930 4.495 ( -7.073 -0.000 0.557) 7.095 5.216 ( -0.804 -0.000 5.710) 5.767 5.626 ( 10.715 0.000 -6.638) 12.604 6.886 ( 5.003 0.000 1.001) 5.102 6.891 ( 3.455 0.000 1.592) 3.804 7.327 ( 12.388 0.000 3.612) 12.904 7.591 ( 15.493 0.000 -11.027) 19.017 9.139 ( -2.620 -0.000 3.398) 4.291 9.268 ( -7.341 -0.000 6.953) 10.111 ======================= Grid point 35 (24/227) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -2.663 -3.769 0.518) 4.644 1.262 ( -7.165 -4.297 -6.992) 10.894 2.074 ( 11.509 4.302 13.474) 18.235 2.643 ( 11.730 4.405 1.481) 12.617 2.986 ( 9.034 9.913 -9.741) 16.576 3.239 ( 13.709 9.082 -0.615) 16.456 3.340 ( -0.565 -1.821 4.305) 4.708 3.559 ( 5.836 -8.202 -3.827) 10.769 4.306 ( -3.211 5.853 0.058) 6.676 4.596 ( 2.229 -13.540 -2.235) 13.904 5.219 ( 0.401 6.204 7.387) 9.655 5.637 ( 7.749 5.614 -7.443) 12.123 6.911 ( 2.889 3.910 0.786) 4.924 6.932 ( 3.029 2.429 0.947) 3.996 7.467 ( 10.742 6.843 -0.094) 12.737 7.836 ( 15.787 -10.893 -3.192) 19.444 9.083 ( -5.776 4.015 0.931) 7.096 9.183 ( -6.883 1.763 3.640) 7.983 ======================= Grid point 36 (25/227) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -6.291 -3.150 -2.112) 7.346 1.247 ( -2.851 -8.983 -2.773) 9.824 2.153 ( 4.973 15.245 10.320) 19.069 2.711 ( 8.437 7.652 1.808) 11.533 2.859 ( 4.205 7.646 -12.421) 15.180 3.252 ( 15.487 14.973 -0.501) 21.548 3.459 ( 1.595 -4.671 8.899) 10.176 3.686 ( 2.964 -5.364 -5.051) 7.942 4.195 ( -5.983 0.660 0.519) 6.042 4.773 ( -1.332 -12.764 -1.333) 12.903 5.121 ( -1.480 13.841 3.878) 14.450 5.681 ( 13.364 2.878 -2.282) 13.860 6.887 ( 2.622 5.050 0.107) 5.691 6.941 ( 2.852 2.629 0.570) 3.921 7.452 ( 5.692 10.360 -2.216) 12.026 8.166 ( 9.978 -8.689 4.985) 14.139 8.875 ( -7.616 8.493 -4.691) 12.335 9.129 ( -3.071 -0.104 1.546) 3.440 ======================= Grid point 37 (26/227) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -5.631 -4.346 -1.842) 7.348 1.345 ( -0.281 -8.444 -0.292) 8.453 1.966 ( -0.032 22.524 3.709) 22.827 2.680 ( 3.659 12.073 1.820) 12.746 2.729 ( 4.979 8.999 -8.293) 13.212 3.242 ( 9.056 11.447 -0.019) 14.595 3.600 ( 1.290 0.032 6.835) 6.955 3.680 ( -0.999 2.926 -0.560) 3.142 4.179 ( -3.051 -10.199 -2.531) 10.943 4.872 ( -3.319 6.081 5.575) 8.892 4.938 ( 0.798 -0.650 -4.548) 4.663 5.817 ( 11.457 4.788 0.746) 12.440 6.847 ( 1.452 5.225 -0.553) 5.451 6.943 ( 1.877 2.589 0.369) 3.219 7.302 ( -0.845 13.361 -2.162) 13.561 8.388 ( 0.559 2.445 18.369) 18.539 8.657 ( 0.951 -0.071 -16.725) 16.752 9.107 ( -1.760 -0.016 -0.104) 1.763 ======================= Grid point 38 (27/227) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 0.000 -5.609 0.000) 5.609 1.433 ( 0.000 -3.897 0.000) 3.897 1.653 ( -0.000 23.462 -0.000) 23.462 2.505 ( -0.000 16.992 -0.000) 16.992 2.591 ( -0.000 14.151 -0.000) 14.151 3.165 ( -0.000 9.558 -0.000) 9.558 3.495 ( -0.000 9.811 -0.000) 9.811 3.717 ( 0.000 -3.416 0.000) 3.416 4.333 ( 0.000 -14.481 0.000) 14.481 4.683 ( -0.000 13.167 -0.000) 13.167 5.028 ( 0.000 -5.086 0.000) 5.086 5.786 ( -0.000 13.442 -0.000) 13.442 6.765 ( -0.000 6.499 -0.000) 6.499 6.920 ( -0.000 3.213 -0.000) 3.213 7.105 ( -0.000 10.522 -0.000) 10.522 8.323 ( -0.000 11.620 -0.000) 11.620 8.729 ( 0.000 -10.251 0.000) 10.251 9.071 ( -0.000 2.252 -0.000) 2.252 ======================= Grid point 45 (28/227) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -0.867 -0.000 0.510) 1.006 1.081 ( -5.830 -0.000 -7.041) 9.142 2.389 ( 11.855 0.000 16.081) 19.979 2.803 ( 6.873 0.000 0.857) 6.926 3.036 ( -1.196 -0.000 -6.316) 6.429 3.270 ( -0.123 -0.000 -9.107) 9.108 3.550 ( 12.810 0.000 2.218) 13.001 3.570 ( 8.475 0.000 0.629) 8.498 4.344 ( -5.540 -0.000 2.764) 6.191 4.429 ( -1.824 -0.000 -4.561) 4.912 5.384 ( 6.261 0.000 8.846) 10.837 5.655 ( 1.417 0.000 -7.941) 8.066 6.976 ( 1.414 0.000 0.787) 1.618 6.978 ( 1.253 0.000 0.327) 1.295 7.755 ( 12.997 0.000 3.639) 13.496 7.877 ( 11.943 0.000 -4.808) 12.875 9.053 ( -5.521 -0.000 0.919) 5.597 9.094 ( -8.120 -0.000 0.815) 8.160 ======================= Grid point 46 (29/227) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -2.584 3.285 -1.952) 4.613 1.074 ( -1.331 -9.613 -1.764) 9.864 2.538 ( 6.019 16.570 13.018) 21.915 2.861 ( 3.671 2.360 0.043) 4.364 2.905 ( 0.729 5.789 -8.255) 10.109 3.279 ( -3.956 -12.652 -4.217) 13.911 3.658 ( 11.994 5.489 2.027) 13.345 3.707 ( 5.926 0.804 -0.257) 5.986 4.159 ( -7.062 8.650 -0.087) 11.167 4.533 ( -2.782 -15.738 -0.459) 15.989 5.353 ( 1.216 16.396 1.442) 16.504 5.741 ( 4.744 -9.444 -0.652) 10.589 6.967 ( 0.706 2.768 0.076) 2.857 6.992 ( 0.860 0.747 0.258) 1.168 7.731 ( 6.904 16.648 -0.715) 18.037 8.153 ( 6.737 -13.417 1.477) 15.086 8.880 ( -5.804 9.575 -1.358) 11.278 9.067 ( -3.250 -3.769 0.399) 4.993 ======================= Grid point 47 (30/227) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.000 -0.137 0.000) 0.137 1.206 ( 0.000 -10.755 0.000) 10.755 2.312 ( -0.000 24.388 -0.000) 24.388 2.821 ( -0.000 4.973 -0.000) 4.973 2.834 ( -0.000 6.073 -0.000) 6.073 3.362 ( 0.000 -2.001 0.000) 2.001 3.702 ( -0.000 2.327 -0.000) 2.327 3.729 ( -0.000 5.316 -0.000) 5.316 4.020 ( 0.000 -2.278 0.000) 2.278 4.729 ( 0.000 -15.017 0.000) 15.017 5.117 ( -0.000 17.917 -0.000) 17.917 5.891 ( 0.000 -5.118 0.000) 5.118 6.925 ( -0.000 4.346 -0.000) 4.346 6.985 ( -0.000 1.511 -0.000) 1.511 7.525 ( -0.000 18.593 -0.000) 18.593 8.393 ( 0.000 -13.291 0.000) 13.291 8.670 ( -0.000 12.636 -0.000) 12.636 9.087 ( 0.000 -1.652 0.000) 1.652 ======================= Grid point 57 (31/227) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -0.000 0.000 -0.000) 0.000 0.940 ( 0.000 -0.000 0.000) 0.000 2.889 ( 0.000 -0.000 0.000) 0.000 2.899 ( 0.000 -0.000 0.000) 0.000 2.953 ( -0.000 0.000 -0.000) 0.000 2.962 ( 0.000 -0.000 0.000) 0.000 3.771 ( 0.000 -0.000 0.000) 0.000 3.777 ( -0.000 0.000 -0.000) 0.000 4.286 ( 0.000 -0.000 0.000) 0.000 4.287 ( -0.000 0.000 -0.000) 0.000 5.590 ( -0.000 0.000 -0.000) 0.000 5.592 ( 0.000 -0.000 0.000) 0.000 6.991 ( 0.000 -0.000 0.000) 0.000 6.999 ( 0.000 -0.000 0.000) 0.000 7.999 ( 0.000 -0.000 0.000) 0.000 8.014 ( -0.000 0.000 -0.000) 0.000 8.953 ( -0.000 0.000 -0.000) 0.000 8.965 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 103 (32/227) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.208 ( -1.863 -0.000 11.766) 11.913 0.212 ( 1.146 0.000 10.803) 10.863 0.741 ( 0.201 0.000 39.038) 39.039 1.204 ( 0.327 0.000 0.821) 0.883 1.226 ( 0.459 0.000 3.210) 3.243 2.844 ( 0.037 0.000 -14.807) 14.807 2.886 ( 0.059 0.000 -11.584) 11.584 4.161 ( -0.008 -0.000 -15.071) 15.071 4.209 ( -0.059 -0.000 3.093) 3.094 4.225 ( 0.092 0.000 6.625) 6.625 4.266 ( -0.454 -0.000 9.903) 9.913 4.999 ( -0.060 -0.000 -0.567) 0.570 6.576 ( 0.375 0.000 -4.959) 4.973 6.648 ( -0.624 -0.000 -0.250) 0.672 6.743 ( -0.088 -0.000 -0.169) 0.191 6.809 ( -0.016 -0.000 3.993) 3.993 8.995 ( -0.046 -0.000 7.162) 7.162 9.866 ( 1.280 0.000 -1.016) 1.635 ======================= Grid point 104 (33/227) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 10.670 -5.006 10.018) 15.468 0.684 ( 12.093 -11.447 13.607) 21.504 1.125 ( 7.344 -11.171 11.790) 17.825 1.289 ( 4.112 -3.574 2.579) 6.027 1.449 ( 15.350 -13.396 18.561) 27.560 2.735 ( -2.825 -1.018 -16.240) 16.515 2.909 ( 8.401 -5.675 -19.145) 21.664 3.969 ( -3.322 3.904 -14.032) 14.939 4.215 ( 0.090 0.035 2.377) 2.379 4.306 ( -0.779 -0.091 8.825) 8.859 4.612 ( 18.468 -18.175 4.632) 26.322 4.957 ( -1.829 1.682 -2.404) 3.458 6.615 ( -0.337 -4.891 -3.560) 6.059 6.743 ( -0.488 -1.484 -0.642) 1.689 6.803 ( 8.096 0.701 -1.091) 8.199 6.957 ( 10.170 -15.009 -12.945) 22.277 9.046 ( -1.785 1.532 10.127) 10.397 9.586 ( -12.013 12.192 15.211) 22.898 ======================= Grid point 105 (34/227) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 11.864 -6.469 11.362) 17.655 1.047 ( 7.103 -8.032 16.575) 19.741 1.380 ( 9.156 -7.049 -0.654) 11.574 1.424 ( 3.009 -6.233 1.475) 7.076 2.121 ( 18.553 -17.419 21.445) 33.279 2.564 ( -3.827 1.164 -16.482) 16.960 2.963 ( 8.948 -7.641 -17.303) 20.925 3.756 ( -4.601 5.057 -11.436) 13.324 4.271 ( 3.625 -3.479 -0.049) 5.025 4.341 ( -2.207 1.492 8.098) 8.525 4.862 ( -2.059 1.767 -5.434) 6.074 5.187 ( 18.195 -17.975 1.946) 25.651 6.644 ( 0.650 -2.146 -2.874) 3.645 6.772 ( 0.602 -3.935 -0.255) 3.989 6.888 ( 6.148 -0.318 1.556) 6.350 7.143 ( 7.845 -10.428 -16.211) 20.811 9.057 ( -3.636 3.565 14.006) 14.903 9.489 ( -4.439 3.691 9.284) 10.933 ======================= Grid point 106 (35/227) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 10.266 -4.959 12.900) 17.216 1.353 ( 5.161 -7.885 13.093) 16.131 1.546 ( 10.394 0.802 -0.737) 10.451 1.582 ( 1.067 -11.224 -0.440) 11.284 2.356 ( -4.260 3.397 -15.011) 15.969 2.527 ( 3.659 -4.146 3.527) 6.559 3.228 ( 16.892 -16.450 -2.745) 23.738 3.551 ( -4.666 5.000 -6.140) 9.191 4.322 ( -3.247 3.437 5.970) 7.615 4.401 ( 4.837 -5.666 0.288) 7.455 4.776 ( -0.374 0.633 -5.125) 5.177 5.512 ( 4.944 -5.336 -3.375) 8.020 6.638 ( -0.143 0.289 -2.887) 2.905 6.833 ( -0.756 -2.549 0.411) 2.690 7.070 ( 10.760 -7.132 2.568) 13.162 7.257 ( 8.900 -8.763 -12.668) 17.790 9.070 ( -2.764 3.195 12.752) 13.433 9.414 ( -6.146 5.178 3.375) 8.717 ======================= Grid point 107 (36/227) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 2.852 0.579 8.342) 8.835 1.585 ( 2.783 -3.963 10.635) 11.686 1.693 ( 9.425 -3.509 0.855) 10.093 1.705 ( 0.737 -5.326 0.217) 5.381 2.156 ( -3.274 2.205 -10.918) 11.610 2.521 ( -0.296 0.418 -11.889) 11.901 3.426 ( -1.965 2.141 2.241) 3.670 3.658 ( 11.545 -11.871 2.642) 16.768 4.256 ( -3.770 3.631 3.000) 6.033 4.483 ( -0.123 -0.116 -0.137) 0.217 4.839 ( 5.845 -5.718 2.641) 8.592 5.477 ( -2.531 1.978 -8.201) 8.808 6.607 ( 0.395 0.833 -1.973) 2.178 6.830 ( -1.781 -0.164 0.294) 1.812 7.235 ( 3.256 -3.161 -1.562) 4.799 7.551 ( 15.178 -13.583 -2.212) 20.488 9.073 ( -2.673 2.957 6.927) 7.992 9.225 ( -8.452 8.197 0.324) 11.778 ======================= Grid point 108 (37/227) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -5.320 5.654 -1.153) 7.849 1.633 ( -4.285 4.400 4.830) 7.813 1.779 ( -0.281 -1.210 5.455) 5.595 1.813 ( -0.586 1.867 1.800) 2.659 2.163 ( 8.884 -7.586 -0.998) 11.725 2.382 ( -0.345 0.649 -17.824) 17.839 3.473 ( 2.845 -2.841 6.307) 7.479 3.846 ( -0.141 -0.288 1.904) 1.931 4.181 ( -2.501 2.154 -0.066) 3.301 4.475 ( 0.920 -0.355 0.148) 0.998 4.938 ( -4.493 3.841 5.966) 8.398 5.442 ( 6.362 -6.687 -6.855) 11.497 6.619 ( 2.783 -0.936 0.005) 2.936 6.811 ( -1.240 -0.224 -0.024) 1.260 7.273 ( -0.241 -0.386 -0.922) 1.028 7.866 ( 6.884 -6.611 5.734) 11.134 8.872 ( -10.642 9.259 -7.701) 16.071 9.148 ( 1.672 0.135 3.522) 3.901 ======================= Grid point 109 (38/227) ======================= q-point: (-0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -8.351 7.442 -2.935) 11.564 1.439 ( -11.189 10.944 0.506) 15.659 1.722 ( -8.005 1.714 0.842) 8.230 1.761 ( -1.396 7.213 3.301) 8.054 2.277 ( 0.331 -0.598 -11.532) 11.552 2.454 ( 11.278 -9.188 3.306) 14.918 3.644 ( 5.699 -5.957 5.776) 10.066 3.705 ( -10.237 9.960 1.544) 14.366 4.138 ( -0.387 0.228 -1.793) 1.849 4.493 ( -0.624 1.562 0.177) 1.691 4.821 ( -3.067 2.416 1.018) 4.035 5.620 ( 5.140 -5.347 0.152) 7.418 6.697 ( 3.464 -2.105 1.990) 4.516 6.802 ( -0.368 -0.587 -1.120) 1.317 7.191 ( -6.631 5.381 -1.582) 8.685 8.004 ( -2.408 2.683 18.937) 19.277 8.546 ( -5.998 5.293 -18.866) 20.492 9.228 ( 4.242 -2.341 0.028) 4.845 ======================= Grid point 110 (39/227) ======================= q-point: (-0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -9.258 8.105 -0.184) 12.306 1.071 ( -15.110 14.286 -1.767) 20.870 1.576 ( -6.247 5.822 0.083) 8.540 1.625 ( -6.196 6.707 1.353) 9.230 2.134 ( -9.073 9.034 -3.433) 13.256 2.722 ( 8.150 -7.298 1.413) 11.031 3.420 ( -9.371 9.292 0.900) 13.227 3.851 ( 6.410 -6.791 2.323) 9.623 4.134 ( 0.793 -0.581 -1.039) 1.430 4.402 ( -4.273 4.636 -0.062) 6.305 4.842 ( 2.672 -2.613 0.095) 3.738 5.609 ( -8.091 8.005 0.582) 11.397 6.767 ( -0.815 -1.218 3.521) 3.814 6.796 ( 0.828 -0.096 -2.847) 2.967 6.955 ( -8.621 8.623 -0.778) 12.218 8.059 ( -4.961 5.909 23.753) 24.975 8.315 ( 1.511 -0.894 -23.309) 23.375 9.281 ( 1.446 1.024 -1.009) 2.039 ======================= Grid point 111 (40/227) ======================= q-point: (-0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -8.962 10.318 3.890) 14.210 0.662 ( -15.925 12.903 3.262) 20.755 1.403 ( -3.874 8.612 -0.655) 9.466 1.447 ( -9.013 4.841 0.263) 10.234 1.674 ( -23.611 23.824 3.128) 33.687 2.885 ( 4.634 -4.547 -3.178) 7.228 3.265 ( -2.251 2.244 -2.414) 3.991 4.019 ( 5.336 -5.744 -2.794) 8.323 4.154 ( 0.684 -0.280 2.018) 2.149 4.287 ( -3.716 3.692 -0.116) 5.239 4.919 ( 2.772 -2.428 -0.033) 3.685 5.175 ( -22.064 21.842 0.142) 31.047 6.745 ( -2.606 0.063 -4.007) 4.780 6.785 ( -2.989 0.551 4.045) 5.060 6.796 ( -0.594 4.829 -0.078) 4.866 7.941 ( -3.258 4.091 -24.753) 25.299 8.381 ( 5.014 -2.473 23.593) 24.246 9.216 ( -3.503 6.000 2.210) 7.291 ======================= Grid point 112 (41/227) ======================= q-point: (-0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( -6.482 11.702 8.005) 15.589 0.425 ( -10.113 5.515 19.649) 22.776 0.940 ( -28.706 28.731 8.188) 41.431 1.261 ( -4.996 3.366 0.266) 6.030 1.291 ( -5.019 7.139 3.570) 9.429 2.925 ( 2.320 -1.260 -8.743) 9.133 3.163 ( -3.887 3.201 -14.111) 14.982 4.110 ( 3.174 -4.582 -5.208) 7.628 4.191 ( 0.956 0.729 5.745) 5.870 4.206 ( -2.045 1.641 -0.397) 2.651 4.577 ( -19.543 19.136 1.100) 27.373 4.975 ( 1.615 -1.381 -0.225) 2.137 6.663 ( -0.786 3.390 -3.673) 5.059 6.752 ( 0.477 1.795 -0.118) 1.861 6.777 ( -3.315 -1.345 3.030) 4.688 7.401 ( -18.108 20.617 -48.046) 55.330 8.854 ( 12.003 -11.582 24.829) 29.911 9.191 ( 5.893 -3.767 29.635) 30.449 ======================= Grid point 114 (42/227) ======================= q-point: ( 0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 15.667 0.000 12.470) 20.023 0.903 ( 24.746 0.000 6.577) 25.605 1.119 ( -0.751 -0.000 5.539) 5.590 1.480 ( 15.605 0.000 3.586) 16.011 1.762 ( 21.568 0.000 27.364) 34.842 2.580 ( 0.243 0.000 -19.998) 20.000 2.867 ( 10.490 0.000 -18.095) 20.916 3.823 ( -3.656 -0.000 -15.088) 15.524 4.216 ( -1.744 -0.000 2.924) 3.404 4.614 ( 16.339 0.000 7.008) 17.778 4.663 ( 15.682 0.000 3.025) 15.971 4.891 ( -3.995 -0.000 -2.534) 4.731 6.602 ( 5.437 0.000 -2.015) 5.799 6.720 ( -0.963 -0.000 0.418) 1.050 6.900 ( 3.088 0.000 1.798) 3.573 6.959 ( 16.621 0.000 -14.923) 22.338 9.125 ( -0.378 -0.000 9.632) 9.640 9.559 ( -12.831 -0.000 12.741) 18.082 ======================= Grid point 115 (43/227) ======================= q-point: ( 0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 7.548 -1.120 14.386) 16.284 1.159 ( 11.806 0.415 5.542) 13.049 1.306 ( 11.067 -6.547 3.821) 13.414 1.693 ( 17.708 6.803 5.011) 19.620 2.300 ( 10.504 -3.476 8.562) 13.991 2.489 ( 11.192 -4.421 -5.902) 13.403 2.909 ( 13.075 -3.560 -16.190) 21.113 3.656 ( -3.906 2.057 -11.625) 12.435 4.241 ( 0.228 -3.796 1.102) 3.959 4.645 ( 13.778 16.700 4.196) 22.053 4.766 ( -4.079 0.061 -5.372) 6.745 5.193 ( 15.355 -16.987 2.274) 23.011 6.667 ( 5.328 1.346 -0.420) 5.512 6.742 ( 1.160 -2.623 1.117) 3.077 6.967 ( 5.909 -1.121 0.148) 6.016 7.084 ( 12.602 -3.934 -13.281) 18.727 9.166 ( -1.558 2.823 10.436) 10.923 9.499 ( -7.214 1.227 8.442) 11.172 ======================= Grid point 116 (44/227) ======================= q-point: ( 0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -4.589 -9.039 7.857) 12.826 1.437 ( 16.666 -0.691 7.526) 18.299 1.538 ( 7.422 -4.358 5.592) 10.263 1.840 ( 16.102 11.820 4.834) 20.551 2.240 ( 4.369 3.518 -15.052) 16.063 2.677 ( 10.027 8.476 -5.238) 14.136 3.245 ( 17.780 -16.682 3.353) 24.610 3.502 ( -4.309 2.521 -4.158) 6.497 4.345 ( 1.209 -7.184 1.480) 7.434 4.615 ( 12.215 19.329 3.757) 23.172 4.694 ( -0.242 -4.252 -6.552) 7.814 5.465 ( 2.077 -4.329 -2.699) 5.508 6.692 ( 4.502 4.368 -0.309) 6.281 6.806 ( 0.579 -1.664 0.874) 1.967 7.123 ( 8.343 -4.901 -1.097) 9.738 7.245 ( 15.969 -7.478 -7.848) 19.301 9.169 ( -2.490 3.649 9.255) 10.256 9.412 ( -7.264 4.656 3.407) 9.276 ======================= Grid point 117 (45/227) ======================= q-point: ( 0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -5.313 -6.614 5.244) 9.973 1.589 ( -4.790 -6.413 -2.939) 8.527 1.778 ( 8.428 -0.647 8.906) 12.279 1.886 ( 17.312 16.523 8.678) 25.456 2.215 ( 14.705 4.807 -9.833) 18.331 2.561 ( 6.727 12.144 -14.699) 20.219 3.441 ( -0.756 0.083 2.916) 3.013 3.665 ( 8.633 -11.784 3.794) 15.093 4.414 ( -3.392 -3.348 0.791) 4.831 4.517 ( 10.338 18.845 1.504) 21.547 4.850 ( 8.938 -9.407 2.681) 13.250 5.387 ( -5.092 2.862 -7.855) 9.789 6.683 ( 4.725 5.099 0.010) 6.952 6.810 ( -0.819 0.238 -0.141) 0.865 7.235 ( 4.384 -2.022 -2.063) 5.250 7.616 ( 19.488 -10.969 -1.074) 22.389 9.110 ( -6.633 6.315 3.086) 9.665 9.239 ( -5.958 6.476 2.130) 9.054 ======================= Grid point 118 (46/227) ======================= q-point: (-0.50 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -1.546 3.626 3.191) 5.071 1.493 ( -11.068 -3.439 -5.853) 12.984 1.774 ( -3.004 9.850 7.175) 12.551 2.057 ( 13.085 7.412 8.132) 17.096 2.327 ( 12.155 10.735 -8.883) 18.491 2.396 ( 14.433 3.139 -9.219) 17.411 3.514 ( 3.392 -3.093 4.634) 6.523 3.830 ( -1.837 -2.188 0.914) 2.999 4.415 ( -3.226 -4.700 0.319) 5.709 4.429 ( 13.829 18.406 -0.010) 23.022 4.979 ( -6.535 6.752 6.039) 11.170 5.352 ( 7.553 -11.359 -6.725) 15.208 6.700 ( 5.450 2.844 0.870) 6.208 6.795 ( -0.073 0.144 -0.809) 0.825 7.269 ( 0.144 0.948 -0.896) 1.313 7.982 ( 14.805 -5.163 4.691) 16.366 8.819 ( -11.744 12.547 -5.131) 17.935 9.180 ( -0.459 0.258 1.755) 1.832 ======================= Grid point 119 (47/227) ======================= q-point: (-0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 6.293 17.157 -0.108) 18.275 1.348 ( -14.393 -2.793 -0.836) 14.685 1.561 ( -9.330 10.828 1.606) 14.383 2.091 ( 7.113 17.049 3.614) 18.823 2.223 ( 4.418 2.530 -6.563) 8.307 2.627 ( 17.721 0.323 -0.115) 17.724 3.659 ( 4.477 -5.586 1.929) 7.414 3.695 ( -10.433 8.172 0.330) 13.256 4.397 ( 17.437 17.140 -0.089) 24.451 4.461 ( -1.709 -3.877 0.200) 4.241 4.795 ( -6.622 3.785 0.155) 7.629 5.581 ( 3.709 -8.219 -0.018) 9.017 6.752 ( 2.324 0.605 2.387) 3.386 6.794 ( 2.231 0.371 -2.210) 3.162 7.174 ( -6.159 6.323 -0.490) 8.840 8.231 ( 9.119 3.174 15.886) 18.590 8.442 ( -6.696 10.736 -15.405) 19.935 9.217 ( 0.536 -3.780 -0.269) 3.827 ======================= Grid point 120 (48/227) ======================= q-point: (-0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -3.745 15.694 -4.452) 16.737 1.106 ( 2.930 19.638 5.515) 20.607 1.366 ( -11.349 -0.894 2.327) 11.620 1.911 ( 3.913 19.552 -1.168) 19.974 2.148 ( -5.918 10.657 3.332) 12.637 2.818 ( 12.017 0.358 -2.876) 12.362 3.414 ( -9.164 8.749 -1.015) 12.710 3.806 ( 3.690 -7.285 -2.412) 8.515 4.407 ( 5.011 8.699 -2.817) 10.427 4.440 ( 12.255 12.687 3.662) 18.016 4.764 ( -3.240 -7.152 0.151) 7.853 5.577 ( -9.421 5.707 -0.530) 11.028 6.740 ( -3.603 1.015 0.633) 3.796 6.811 ( 1.477 1.257 0.010) 1.939 6.973 ( -5.628 7.748 0.561) 9.593 8.110 ( -3.760 8.587 -15.568) 18.173 8.453 ( 13.765 4.583 14.305) 20.374 9.249 ( -4.054 -2.613 0.758) 4.882 ======================= Grid point 121 (49/227) ======================= q-point: (-0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -7.437 16.073 3.651) 18.082 0.986 ( 12.953 23.866 5.978) 27.805 1.268 ( -7.677 -0.892 1.836) 7.944 1.660 ( -0.145 20.863 -1.339) 20.907 1.781 ( -15.280 25.008 10.258) 31.050 2.899 ( 6.176 -0.072 -7.893) 10.022 3.241 ( -1.800 3.552 -5.926) 7.139 3.917 ( 2.067 -7.443 -5.271) 9.352 4.293 ( -1.625 5.505 -2.881) 6.423 4.498 ( 19.106 16.860 4.357) 25.851 4.840 ( -2.024 -7.798 0.427) 8.067 5.158 ( -21.837 20.158 -0.044) 29.719 6.692 ( -2.011 -0.585 0.897) 2.278 6.778 ( -2.588 2.715 1.026) 3.889 6.855 ( -0.507 4.808 -0.486) 4.859 7.815 ( -0.045 10.003 -27.128) 28.913 8.739 ( 16.194 2.093 20.526) 26.229 9.180 ( -11.468 0.189 7.417) 13.658 ======================= Grid point 122 (50/227) ======================= q-point: (-0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -1.172 11.348 13.667) 17.803 0.813 ( -1.673 25.158 4.115) 25.547 1.139 ( -0.806 13.686 2.927) 14.019 1.343 ( 2.546 19.483 18.131) 26.736 1.461 ( -0.663 15.452 2.106) 15.609 2.875 ( 0.424 -0.608 -12.178) 12.200 3.091 ( 0.354 6.880 -15.761) 17.201 3.984 ( 0.182 -6.756 -7.575) 10.152 4.204 ( -0.055 2.198 -0.873) 2.366 4.532 ( 0.667 16.305 8.470) 18.385 4.609 ( -1.097 20.301 -0.451) 20.336 4.918 ( -0.012 -5.652 -0.433) 5.668 6.703 ( -0.121 3.639 -0.006) 3.641 6.719 ( 0.274 -1.620 1.200) 2.035 6.791 ( -0.326 3.333 -0.818) 3.448 7.364 ( -0.096 22.785 -31.135) 38.582 9.008 ( -0.177 0.981 6.780) 6.853 9.254 ( 0.578 -13.598 29.090) 32.116 ======================= Grid point 125 (51/227) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -5.455 -0.000 7.808) 9.525 1.427 ( 5.618 0.000 -1.388) 5.787 1.470 ( 15.978 0.000 11.248) 19.540 2.039 ( 16.290 0.000 5.097) 17.069 2.421 ( 14.940 0.000 -15.017) 21.183 2.728 ( 17.665 0.000 17.764) 25.052 2.976 ( 16.600 0.000 -11.751) 20.338 3.536 ( -3.539 -0.000 -10.200) 10.797 4.217 ( 0.347 0.000 1.148) 1.199 4.627 ( -4.001 -0.000 -7.363) 8.380 5.114 ( 10.806 0.000 4.598) 11.744 5.221 ( 16.404 0.000 -0.301) 16.407 6.761 ( 3.231 0.000 2.414) 4.034 6.776 ( 5.826 0.000 2.289) 6.260 7.040 ( 8.139 0.000 -1.474) 8.272 7.147 ( 13.646 0.000 -11.377) 17.766 9.230 ( -2.358 -0.000 8.392) 8.717 9.472 ( -6.190 -0.000 5.664) 8.391 ======================= Grid point 126 (52/227) ======================= q-point: ( 0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -5.699 -6.277 6.380) 10.610 1.417 ( -4.667 -4.125 -6.896) 9.292 1.778 ( 14.555 0.121 13.443) 19.813 2.238 ( 15.574 2.773 -2.079) 15.955 2.495 ( 21.500 16.254 -1.565) 26.998 2.904 ( 11.474 9.409 -7.527) 16.638 3.292 ( 14.045 -12.672 4.039) 19.343 3.436 ( -3.195 -1.129 -2.978) 4.512 4.286 ( 1.811 -4.357 2.325) 5.260 4.565 ( -0.628 -5.519 -6.178) 8.308 5.109 ( 12.316 16.898 2.832) 21.101 5.434 ( 3.655 -1.620 -2.886) 4.931 6.821 ( 4.227 2.701 1.400) 5.207 6.840 ( 3.310 2.477 1.977) 4.583 7.181 ( 10.008 -1.462 -2.299) 10.372 7.329 ( 18.044 -7.992 -5.561) 20.503 9.228 ( -4.021 2.472 6.826) 8.299 9.392 ( -6.842 3.212 1.680) 7.743 ======================= Grid point 127 (53/227) ======================= q-point: ( 0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -7.689 -8.344 4.972) 12.388 1.356 ( -6.411 -7.479 -7.301) 12.262 2.010 ( 8.821 6.063 11.875) 15.987 2.368 ( 14.397 5.151 -3.557) 15.699 2.564 ( 21.892 16.452 2.882) 27.536 2.775 ( 10.586 17.259 -12.582) 23.838 3.457 ( 1.616 -2.179 3.852) 4.711 3.600 ( 3.395 -12.496 -0.066) 12.949 4.323 ( -3.562 -1.397 0.720) 3.893 4.717 ( 4.790 -10.507 0.163) 11.548 5.098 ( 15.106 14.149 4.754) 21.236 5.346 ( -1.422 7.821 -6.771) 10.442 6.822 ( 2.642 4.486 0.855) 5.276 6.841 ( 3.429 4.115 -0.004) 5.357 7.281 ( 6.413 0.800 -1.636) 6.666 7.732 ( 20.380 -12.089 -0.657) 23.705 9.120 ( -8.892 7.949 1.998) 12.093 9.250 ( -5.178 3.947 0.924) 6.576 ======================= Grid point 128 (54/227) ======================= q-point: (-0.50 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -12.006 -7.785 0.724) 14.327 1.367 ( -1.735 -6.127 -1.387) 6.517 1.978 ( 0.591 16.044 3.404) 16.412 2.430 ( 12.067 10.192 0.072) 15.795 2.560 ( 6.702 14.176 -4.765) 16.389 2.751 ( 24.599 11.807 -0.333) 27.288 3.557 ( 4.228 -2.010 2.650) 5.379 3.735 ( -3.141 -6.938 -0.965) 7.677 4.295 ( -4.578 -3.875 0.277) 6.004 4.829 ( 7.578 5.054 0.106) 9.109 5.042 ( -7.285 11.870 2.115) 14.087 5.354 ( 18.231 -1.162 -2.297) 18.411 6.802 ( 1.340 2.951 0.758) 3.329 6.842 ( 5.041 3.653 -0.555) 6.250 7.300 ( 1.300 3.703 -0.438) 3.949 8.145 ( 17.509 -8.940 1.799) 19.742 8.813 ( -12.022 13.844 -1.693) 18.413 9.172 ( -2.691 0.897 0.351) 2.859 ======================= Grid point 129 (55/227) ======================= q-point: (-0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -11.242 -6.470 0.011) 12.971 1.414 ( 1.381 -0.252 1.468) 2.031 1.702 ( -3.464 19.840 -1.236) 20.178 2.403 ( 8.237 14.974 -5.291) 17.891 2.453 ( 7.379 14.162 7.335) 17.573 2.914 ( 16.967 7.242 -0.773) 18.464 3.643 ( -1.507 -0.435 -4.236) 4.517 3.662 ( -3.714 2.629 1.567) 4.813 4.348 ( -1.413 -9.440 0.288) 9.549 4.785 ( -6.418 9.960 -1.682) 11.968 4.867 ( 12.868 9.788 1.594) 16.246 5.577 ( 10.010 -0.637 -0.030) 10.030 6.786 ( -0.049 2.237 0.644) 2.329 6.864 ( 4.183 2.626 -0.117) 4.940 7.196 ( -4.628 8.067 0.917) 9.345 8.383 ( 2.078 6.177 -20.244) 21.267 8.533 ( 3.697 3.995 19.248) 20.003 9.152 ( -2.567 -2.469 0.021) 3.562 ======================= Grid point 130 (56/227) ======================= q-point: (-0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -6.223 -0.791 -1.458) 6.440 1.392 ( -3.563 15.917 2.630) 16.522 1.424 ( 2.855 6.290 2.647) 7.397 2.215 ( 3.851 19.332 -2.202) 19.834 2.382 ( 2.394 18.487 9.465) 20.906 2.977 ( 7.885 6.367 -4.359) 11.032 3.410 ( -6.770 9.029 -1.741) 11.418 3.723 ( 2.165 -6.274 -6.766) 9.478 4.451 ( 2.795 0.990 -2.477) 3.864 4.610 ( -6.674 -3.355 0.275) 7.475 4.941 ( 15.186 10.824 3.073) 18.900 5.567 ( -2.848 10.771 -1.467) 11.237 6.732 ( -2.930 3.588 2.451) 5.241 6.864 ( 1.001 3.068 0.018) 3.227 7.023 ( -3.354 8.079 1.754) 8.922 8.069 ( -1.516 10.014 -19.916) 22.343 8.799 ( 13.065 -0.020 14.329) 19.391 9.139 ( -7.271 -2.652 3.026) 8.310 ======================= Grid point 131 (57/227) ======================= q-point: (-0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 1.752 10.783 1.252) 10.996 1.242 ( -1.838 5.059 5.249) 7.518 1.351 ( -0.899 12.216 3.121) 12.641 1.965 ( 0.515 20.097 -0.190) 20.105 2.142 ( -0.202 28.356 15.135) 32.143 2.899 ( 0.761 3.944 -10.726) 11.453 3.246 ( 0.294 6.099 -5.957) 8.531 3.783 ( 0.131 -7.815 -7.594) 10.897 4.336 ( 0.170 7.216 -5.474) 9.059 4.706 ( -0.109 -9.704 1.240) 9.784 4.971 ( -0.567 12.091 5.063) 13.120 5.229 ( 0.289 23.113 -1.497) 23.163 6.698 ( -0.149 1.404 4.430) 4.650 6.812 ( -0.393 3.738 -0.574) 3.802 6.920 ( 0.059 6.302 0.551) 6.326 7.764 ( 0.029 10.182 -24.506) 26.537 9.047 ( -1.034 1.720 5.076) 5.458 9.104 ( 1.307 -3.142 17.266) 17.598 ======================= Grid point 132 (58/227) ======================= q-point: (-0.10 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 2.391 14.493 9.239) 17.353 1.075 ( -6.193 18.664 8.054) 21.251 1.260 ( 6.144 1.932 1.619) 6.641 1.672 ( -3.532 18.810 0.924) 19.161 2.004 ( 14.276 23.089 18.914) 33.085 2.747 ( -3.811 1.511 -14.218) 14.797 3.107 ( 3.423 7.932 -12.802) 15.445 3.804 ( -2.935 -7.120 -9.725) 12.405 4.255 ( 3.293 3.591 -1.777) 5.186 4.570 ( -19.175 15.660 5.848) 25.439 4.832 ( 1.308 -6.768 -2.178) 7.229 5.161 ( 20.388 18.749 0.993) 27.716 6.701 ( -1.442 1.874 0.305) 2.384 6.799 ( 5.121 1.663 1.624) 5.623 6.840 ( -0.036 5.513 -0.296) 5.521 7.413 ( 0.891 13.745 -24.026) 27.694 8.999 ( -8.519 -0.782 13.753) 16.197 9.351 ( 4.396 -4.569 12.170) 13.722 ======================= Grid point 136 (59/227) ======================= q-point: ( 0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -5.122 -0.000 6.397) 8.195 1.233 ( -7.179 -0.000 -9.422) 11.845 2.094 ( 14.534 0.000 15.634) 21.347 2.417 ( 15.962 0.000 -10.099) 18.889 2.916 ( 15.681 0.000 5.872) 16.744 3.094 ( 11.319 0.000 -6.413) 13.010 3.355 ( 7.424 0.000 -1.001) 7.491 3.361 ( -0.793 -0.000 -0.753) 1.094 4.341 ( 5.189 0.000 3.438) 6.224 4.454 ( -1.699 -0.000 -4.551) 4.858 5.329 ( 2.123 0.000 6.368) 6.712 5.492 ( 7.360 0.000 -7.326) 10.385 6.913 ( 3.724 0.000 1.541) 4.031 6.922 ( 2.855 0.000 1.100) 3.059 7.366 ( 15.401 0.000 1.247) 15.452 7.439 ( 16.793 0.000 -5.308) 17.611 9.225 ( -5.747 -0.000 5.140) 7.710 9.321 ( -7.540 -0.000 -0.953) 7.600 ======================= Grid point 137 (60/227) ======================= q-point: ( 0.40 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -7.015 -1.505 2.824) 7.710 1.137 ( -4.113 -7.454 -4.008) 9.410 2.342 ( 11.240 8.750 10.729) 17.833 2.536 ( 13.900 -0.008 -8.966) 16.541 2.924 ( 2.318 13.819 0.133) 14.013 3.195 ( 19.877 11.453 -1.195) 22.972 3.397 ( -3.423 -10.924 0.866) 11.481 3.511 ( 7.016 -4.028 -0.718) 8.121 4.308 ( -2.604 4.745 0.215) 5.417 4.578 ( 1.065 -13.989 -0.043) 14.030 5.353 ( -0.725 9.006 4.639) 10.156 5.498 ( 10.903 2.722 -5.028) 12.311 6.925 ( 2.425 4.324 0.384) 4.973 6.944 ( 2.723 2.579 0.176) 3.755 7.454 ( 11.502 9.363 -0.268) 14.834 7.809 ( 17.432 -14.285 -0.358) 22.541 9.110 ( -9.297 6.967 1.019) 11.663 9.207 ( -6.036 0.234 -0.252) 6.045 ======================= Grid point 138 (61/227) ======================= q-point: (-0.50 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -8.004 -2.811 1.090) 8.553 1.226 ( -1.496 -10.118 0.917) 10.269 2.255 ( 3.896 19.232 -4.668) 20.171 2.673 ( 10.054 4.105 4.049) 11.590 2.786 ( 3.190 10.028 -0.804) 10.553 3.250 ( 16.087 15.084 0.441) 22.057 3.550 ( 0.664 -10.662 -4.737) 11.686 3.624 ( 4.335 -1.948 4.156) 6.314 4.201 ( -6.587 1.024 0.069) 6.666 4.765 ( -1.311 -13.062 0.602) 13.141 5.150 ( -3.033 14.865 -1.470) 15.242 5.660 ( 15.631 1.621 0.618) 15.727 6.891 ( 2.323 5.157 0.105) 5.658 6.944 ( 2.862 2.760 -0.229) 3.983 7.437 ( 5.396 10.894 0.888) 12.189 8.205 ( 12.811 -12.632 -1.827) 18.084 8.840 ( -10.098 12.026 1.617) 15.786 9.138 ( -3.429 0.028 -0.472) 3.462 ======================= Grid point 139 (62/227) ======================= q-point: (-0.40 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -5.578 -3.967 2.587) 7.317 1.350 ( -0.646 -8.582 0.767) 8.640 1.951 ( 0.189 21.752 -4.492) 22.212 2.659 ( 4.388 12.042 -2.913) 13.144 2.765 ( 4.939 9.045 10.448) 14.675 3.244 ( 9.125 11.779 0.112) 14.900 3.577 ( 2.438 -0.815 -8.812) 9.180 3.673 ( -3.087 4.432 -0.051) 5.401 4.195 ( -2.252 -10.259 3.715) 11.141 4.838 ( -3.608 6.346 -6.248) 9.608 4.964 ( 0.971 -0.856 4.524) 4.705 5.813 ( 11.159 4.835 -1.155) 12.217 6.854 ( 1.462 5.022 1.254) 5.379 6.940 ( 1.814 2.474 -0.639) 3.134 7.313 ( -0.757 13.364 3.225) 13.768 8.319 ( -0.032 3.906 -18.279) 18.692 8.719 ( 1.363 -1.206 15.911) 16.014 9.106 ( -1.573 -0.172 -0.006) 1.583 ======================= Grid point 140 (63/227) ======================= q-point: (-0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.270 -3.745 1.378) 4.000 1.439 ( -0.445 -4.540 0.237) 4.568 1.645 ( -0.213 20.006 1.063) 20.036 2.482 ( 0.600 16.347 -2.028) 16.483 2.734 ( 0.055 14.433 13.311) 19.635 3.141 ( 0.153 12.730 -2.988) 13.077 3.476 ( 0.031 10.252 -1.882) 10.423 3.585 ( 0.109 -5.730 -11.362) 12.725 4.396 ( -0.290 -12.566 4.873) 13.481 4.600 ( 0.599 12.011 -7.857) 14.365 5.073 ( -0.366 -3.947 4.051) 5.667 5.756 ( -0.046 13.149 -3.184) 13.529 6.809 ( -0.206 5.520 4.273) 6.983 6.904 ( -0.151 3.137 -1.302) 3.400 7.154 ( 0.048 11.588 4.580) 12.461 8.041 ( -0.053 10.463 -20.945) 23.413 8.948 ( -0.090 -7.800 14.542) 16.502 9.090 ( 0.279 1.091 1.967) 2.267 ======================= Grid point 141 (64/227) ======================= q-point: (-0.20 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 7.280 -1.099 -0.280) 7.367 1.431 ( -1.076 12.033 5.351) 13.213 1.452 ( -0.055 6.541 3.669) 7.500 2.198 ( -4.938 18.739 -1.310) 19.423 2.564 ( -4.742 18.046 12.233) 22.311 2.905 ( -3.949 9.720 -6.074) 12.123 3.369 ( 7.459 11.498 -4.121) 14.312 3.594 ( -2.199 -7.938 -9.495) 12.570 4.391 ( -0.233 4.412 -5.504) 7.058 4.620 ( 5.002 -6.000 0.567) 7.832 4.988 ( -15.436 10.303 4.140) 19.015 5.535 ( 2.890 9.868 -2.909) 10.686 6.767 ( -1.684 3.251 2.524) 4.447 6.866 ( 1.680 2.657 1.074) 3.322 7.064 ( 3.470 10.427 3.496) 11.532 7.736 ( 1.138 11.792 -22.255) 25.211 9.000 ( -8.805 -0.112 11.331) 14.351 9.222 ( 4.438 -5.680 6.498) 9.704 ======================= Grid point 142 (65/227) ======================= q-point: (-0.10 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 2.626 10.447 6.079) 12.369 1.302 ( 2.506 10.346 6.938) 12.707 1.413 ( 4.985 5.254 5.861) 9.317 1.854 ( -6.126 16.755 -1.775) 17.928 2.401 ( -0.210 4.920 -0.316) 4.935 2.684 ( -6.148 9.987 -0.235) 11.730 3.280 ( 12.384 14.537 -7.199) 20.409 3.584 ( -4.147 -6.907 -8.241) 11.525 4.353 ( 4.325 3.427 -0.934) 5.597 4.551 ( -17.635 12.417 4.680) 22.070 4.755 ( 2.309 -3.851 -2.434) 5.108 5.516 ( 7.475 4.582 -3.043) 9.280 6.700 ( -2.714 2.258 -1.540) 3.852 6.872 ( -0.769 0.974 1.315) 1.808 7.022 ( 9.013 10.742 3.525) 14.458 7.437 ( 3.134 11.852 -18.914) 22.540 8.994 ( -5.765 -0.885 13.770) 14.955 9.366 ( -1.464 -5.873 4.427) 7.499 ======================= Grid point 147 (66/227) ======================= q-point: ( 0.40 0.40 -0.88) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -2.972 -0.000 -3.471) 4.570 0.992 ( -4.183 -0.000 5.922) 7.251 2.588 ( 11.780 0.000 -16.858) 20.566 2.701 ( 11.911 0.000 14.989) 19.146 3.062 ( -4.544 -0.000 -10.186) 11.153 3.157 ( -3.140 -0.000 11.630) 12.046 3.558 ( 12.001 0.000 -1.820) 12.139 3.582 ( 10.621 0.000 0.719) 10.646 4.374 ( -4.190 -0.000 -1.927) 4.612 4.391 ( -3.080 -0.000 2.951) 4.266 5.490 ( 4.522 0.000 -9.344) 10.380 5.554 ( 3.752 0.000 8.814) 9.579 6.980 ( 0.948 0.000 -0.314) 0.999 6.982 ( 1.334 0.000 -0.175) 1.345 7.806 ( 12.943 0.000 -3.219) 13.337 7.819 ( 12.621 0.000 3.662) 13.141 9.077 ( -7.599 -0.000 1.028) 7.669 9.082 ( -6.980 -0.000 -1.448) 7.128 ======================= Grid point 148 (67/227) ======================= q-point: (-0.50 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -2.677 3.338 3.292) 5.398 1.080 ( -1.476 -9.505 2.351) 9.902 2.495 ( 5.985 15.337 -13.653) 21.388 2.834 ( -0.271 1.256 -7.283) 7.396 2.947 ( 4.781 6.191 14.641) 16.600 3.303 ( -3.504 -9.795 5.317) 11.683 3.657 ( 11.840 5.234 -2.525) 13.190 3.699 ( 5.509 0.225 -0.156) 5.516 4.163 ( -6.795 8.456 0.395) 10.855 4.537 ( -3.273 -15.449 0.870) 15.816 5.345 ( 1.988 16.087 -2.121) 16.347 5.743 ( 4.182 -9.007 0.778) 9.961 6.967 ( 0.706 2.503 -0.037) 2.601 6.989 ( 0.972 0.881 -0.532) 1.416 7.737 ( 6.884 16.361 1.299) 17.797 8.144 ( 6.388 -12.485 -2.226) 14.200 8.887 ( -5.598 8.775 1.986) 10.597 9.064 ( -3.080 -3.713 -0.664) 4.869 ======================= Grid point 149 (68/227) ======================= q-point: (-0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -0.138 0.337 4.661) 4.675 1.217 ( -0.117 -9.837 0.680) 9.861 2.197 ( -0.177 19.369 -7.312) 20.704 2.768 ( 0.549 3.021 -5.422) 6.231 3.008 ( 0.294 7.636 14.884) 16.731 3.361 ( -0.127 -0.523 -0.722) 0.900 3.621 ( -1.192 8.739 -6.826) 11.153 3.700 ( 0.991 4.727 -2.982) 5.677 4.101 ( -0.180 -5.267 6.712) 8.533 4.701 ( 0.101 -11.713 -3.401) 12.198 5.125 ( 0.026 15.552 1.459) 15.620 5.870 ( 0.022 -4.404 -2.268) 4.954 6.936 ( -0.201 3.386 1.095) 3.564 6.976 ( 0.180 1.816 -0.851) 2.014 7.567 ( -0.142 17.420 4.135) 17.905 8.226 ( 0.044 -0.575 -12.267) 12.281 8.813 ( -0.020 1.171 9.914) 9.983 9.083 ( 0.045 -2.105 -0.481) 2.160 ======================= Grid point 150 (69/227) ======================= q-point: (-0.30 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 4.735 -2.651 2.550) 5.996 1.349 ( 1.441 -7.993 -0.585) 8.143 1.900 ( -1.558 17.197 -0.472) 17.274 2.627 ( -4.165 10.979 -2.819) 12.076 2.969 ( -4.295 10.385 14.253) 18.151 3.238 ( -10.559 14.186 -1.159) 17.722 3.406 ( -1.721 -3.894 -11.721) 12.470 3.661 ( 7.061 7.411 -2.214) 10.473 4.251 ( -2.342 -9.400 3.733) 10.382 4.748 ( 7.826 6.803 -7.242) 12.648 5.028 ( -3.610 -1.265 5.411) 6.627 5.781 ( -9.112 5.786 -3.276) 11.280 6.872 ( -3.159 4.221 1.900) 5.604 6.932 ( -1.243 2.276 -0.524) 2.645 7.377 ( -0.602 12.652 4.905) 13.583 8.061 ( 2.804 9.657 -15.335) 18.338 8.928 ( -2.225 -4.362 11.681) 12.666 9.108 ( 0.683 -1.856 0.012) 1.978 ======================= Grid point 151 (70/227) ======================= q-point: (-0.20 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 8.855 -4.246 0.200) 9.823 1.461 ( 3.252 -3.373 0.750) 4.745 1.693 ( -0.602 13.410 5.446) 14.486 2.302 ( -12.633 16.204 -2.399) 20.686 2.730 ( -10.029 18.148 -0.916) 20.755 2.929 ( -10.307 8.070 5.050) 14.031 3.393 ( -1.771 -6.188 -7.794) 10.108 3.648 ( 10.187 9.813 -1.471) 14.221 4.334 ( -0.160 -5.942 -1.421) 6.111 4.720 ( 6.224 6.685 -1.636) 9.279 4.951 ( -12.698 8.178 4.205) 15.679 5.537 ( -6.579 1.801 -3.566) 7.697 6.782 ( -3.465 3.824 0.491) 5.184 6.882 ( -2.810 0.377 0.214) 2.843 7.284 ( 2.011 7.654 2.962) 8.450 7.837 ( 5.432 15.479 -12.655) 20.718 8.989 ( -4.428 -0.191 10.358) 11.267 9.172 ( -1.640 -7.049 0.471) 7.253 ======================= Grid point 152 (71/227) ======================= q-point: (-0.10 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 4.354 0.958 3.034) 5.392 1.526 ( 4.391 5.039 6.574) 9.375 1.610 ( 3.913 8.126 7.139) 11.502 1.891 ( -11.403 9.396 -5.293) 15.695 2.363 ( -8.058 9.850 -7.860) 14.957 2.705 ( -9.101 7.048 -2.160) 11.712 3.404 ( -1.823 -4.103 -1.470) 4.725 3.647 ( 11.701 11.247 -0.202) 16.231 4.408 ( 0.457 -0.047 -0.147) 0.483 4.491 ( -14.961 8.246 1.991) 17.198 4.812 ( 4.754 4.600 2.311) 7.007 5.505 ( -0.414 -3.997 -5.785) 7.044 6.673 ( -3.936 3.001 -2.206) 5.419 6.853 ( -2.394 -0.439 0.655) 2.521 7.249 ( 2.993 4.796 0.662) 5.692 7.629 ( 9.281 17.160 -7.025) 20.735 9.016 ( -2.574 -0.590 9.719) 10.071 9.223 ( -6.584 -8.271 -0.494) 10.584 ======================= Grid point 158 (72/227) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -3.057 0.000 3.821) 4.893 0.982 ( 2.789 -0.000 3.619) 4.569 2.633 ( -9.910 0.000 -12.425) 15.893 2.644 ( 9.849 -0.000 -12.393) 15.829 3.218 ( 6.162 -0.000 13.599) 14.930 3.225 ( -6.147 0.000 13.397) 14.740 3.734 ( -1.379 -0.000 -3.619) 3.873 3.740 ( 1.591 0.000 -3.628) 3.961 4.294 ( 4.982 -0.000 0.684) 5.029 4.295 ( -5.333 0.000 0.624) 5.369 5.583 ( 7.674 0.000 -0.590) 7.697 5.585 ( -7.592 -0.000 -0.646) 7.619 6.988 ( 0.252 -0.000 -0.227) 0.339 6.995 ( -0.129 -0.000 -0.349) 0.372 7.999 ( -3.971 -0.000 0.014) 3.971 8.012 ( 3.916 0.000 -0.190) 3.921 8.957 ( 0.355 0.000 0.330) 0.485 8.968 ( -0.367 -0.000 0.258) 0.449 ======================= Grid point 160 (73/227) ======================= q-point: (-0.40 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.362 1.719 3.208) 3.658 1.125 ( 3.529 -6.722 2.613) 8.029 2.311 ( -7.997 11.174 -8.230) 16.017 2.723 ( 3.252 -2.655 -6.504) 7.741 3.185 ( -5.060 5.926 14.094) 16.105 3.352 ( -0.091 0.421 0.387) 0.579 3.592 ( -9.569 6.864 -3.942) 12.418 3.711 ( -3.005 -2.927 0.206) 4.200 4.163 ( 3.151 5.972 0.150) 6.754 4.549 ( 5.902 -13.466 0.864) 14.728 5.311 ( -6.318 13.635 -1.999) 15.160 5.757 ( 0.152 -6.298 0.698) 6.339 6.967 ( -1.136 2.200 0.156) 2.481 6.983 ( -0.909 0.988 -0.558) 1.454 7.753 ( -8.632 13.402 1.012) 15.974 8.110 ( -2.916 -5.995 -2.010) 6.963 8.925 ( 3.826 4.293 2.640) 6.328 9.049 ( 2.366 -3.429 -1.385) 4.390 ======================= Grid point 161 (74/227) ======================= q-point: (-0.30 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 3.756 -3.330 0.958) 5.110 1.294 ( 5.980 -6.335 1.093) 8.780 2.016 ( -8.100 9.400 -2.412) 12.641 2.646 ( -7.092 7.259 -2.015) 10.346 3.117 ( -7.128 8.051 9.015) 14.032 3.243 ( -13.210 12.874 -4.232) 18.924 3.289 ( -1.341 1.068 -3.366) 3.777 3.752 ( 0.254 -2.824 1.401) 3.163 4.183 ( 3.274 -1.381 -0.647) 3.612 4.800 ( 5.138 -9.493 0.745) 10.820 5.056 ( -4.564 9.549 -1.429) 10.680 5.714 ( -8.188 6.380 0.626) 10.399 6.897 ( -3.066 3.932 1.254) 5.142 6.924 ( -3.091 2.790 -1.080) 4.301 7.489 ( -6.948 8.187 0.608) 10.755 8.088 ( -3.164 0.513 -1.474) 3.528 8.970 ( 3.418 0.871 3.795) 5.182 9.080 ( 0.423 -0.570 -3.003) 3.086 ======================= Grid point 162 (75/227) ======================= q-point: (-0.20 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 6.801 -6.846 0.109) 9.650 1.468 ( 6.724 -5.457 -0.582) 8.679 1.811 ( -6.680 5.047 1.682) 8.540 2.304 ( -16.777 16.681 0.630) 23.666 2.800 ( -14.153 18.079 -2.031) 23.050 2.888 ( -11.077 6.572 -5.637) 14.059 3.334 ( 3.054 -0.523 4.991) 5.874 3.793 ( 1.325 -1.077 -0.014) 1.708 4.270 ( 4.256 -4.620 -0.707) 6.321 4.835 ( -7.122 9.035 -1.042) 11.552 4.927 ( -4.256 1.198 2.299) 4.983 5.475 ( -4.384 6.470 -0.645) 7.842 6.796 ( -4.221 5.547 -0.368) 6.981 6.846 ( -2.327 0.555 0.695) 2.491 7.354 ( -2.662 3.166 -0.472) 4.163 7.999 ( -2.536 6.441 1.703) 7.129 9.032 ( 1.491 -1.255 2.032) 2.816 9.039 ( -2.925 -0.399 -3.457) 4.547 ======================= Grid point 163 (76/227) ======================= q-point: (-0.10 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 1.530 -2.066 1.285) 2.874 1.579 ( -0.685 -4.954 -0.875) 5.078 1.719 ( -6.148 -1.882 -1.892) 6.702 1.887 ( -5.449 14.301 8.288) 17.404 2.377 ( -10.145 15.540 -2.296) 18.700 2.600 ( -7.770 5.066 -13.362) 16.266 3.415 ( 2.617 1.505 7.230) 7.835 3.824 ( 1.053 -0.548 1.021) 1.566 4.399 ( 4.828 -4.288 -0.352) 6.467 4.431 ( -17.110 14.513 0.041) 22.436 4.910 ( -2.711 -1.409 4.308) 5.282 5.452 ( 5.490 1.385 -4.096) 6.988 6.664 ( -2.638 4.596 -0.963) 5.386 6.828 ( -1.339 0.077 0.770) 1.546 7.298 ( -0.844 1.330 -0.831) 1.781 7.892 ( 0.154 9.047 4.717) 10.204 8.960 ( -7.516 -5.359 -8.003) 12.217 9.090 ( 1.840 -0.057 4.506) 4.868 ======================= Grid point 170 (77/227) ======================= q-point: (-0.40 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -0.788 -0.000 -0.014) 0.788 1.197 ( 7.851 0.000 4.332) 8.967 2.156 ( -13.904 -0.000 -7.177) 15.647 2.720 ( 0.226 0.000 -2.285) 2.296 3.254 ( -2.382 -0.000 11.317) 11.565 3.300 ( -7.060 -0.000 -7.405) 10.231 3.519 ( -14.013 -0.000 -0.319) 14.017 3.593 ( -3.463 -0.000 4.369) 5.575 4.266 ( 6.778 0.000 -5.794) 8.917 4.549 ( 3.214 0.000 7.548) 8.203 5.236 ( -8.919 -0.000 -6.593) 11.091 5.781 ( 1.817 0.000 5.350) 5.650 6.960 ( -1.921 -0.000 -0.728) 2.055 6.976 ( -1.593 -0.000 0.234) 1.610 7.669 ( -13.785 -0.000 -5.479) 14.834 7.998 ( -9.075 -0.000 8.330) 12.319 9.033 ( 6.681 0.000 -6.003) 8.982 9.056 ( 3.413 0.000 1.251) 3.635 ======================= Grid point 171 (78/227) ======================= q-point: (-0.30 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 1.809 -4.222 -0.996) 4.700 1.354 ( 8.112 -2.264 2.337) 8.740 1.899 ( -14.654 1.522 -3.963) 15.257 2.612 ( -10.699 5.206 0.458) 11.908 3.062 ( -11.072 5.515 -10.574) 16.273 3.214 ( -15.231 10.438 3.909) 18.874 3.358 ( 4.932 1.171 7.002) 8.644 3.631 ( -7.234 -8.295 3.408) 11.521 4.280 ( 7.532 5.232 -3.382) 9.775 4.677 ( -5.543 -10.316 6.360) 13.327 5.093 ( 0.612 4.561 -6.025) 7.581 5.752 ( -6.055 7.771 4.577) 10.863 6.899 ( -3.293 2.750 -0.404) 4.309 6.926 ( -3.320 2.737 0.479) 4.330 7.424 ( -10.475 1.756 -4.673) 11.604 7.964 ( -12.444 -4.902 10.831) 17.210 9.050 ( 6.013 2.163 -10.560) 12.343 9.088 ( 1.654 1.329 1.183) 2.429 ======================= Grid point 172 (79/227) ======================= q-point: (-0.20 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 4.455 -9.462 -0.003) 10.458 1.477 ( 2.838 -2.126 -2.058) 4.100 1.677 ( -13.953 -1.461 -2.118) 14.189 2.306 ( -16.535 12.482 3.458) 21.004 2.705 ( -16.173 7.252 -8.612) 19.706 2.879 ( -8.485 14.304 -1.363) 16.688 3.484 ( 6.124 2.570 9.629) 11.698 3.658 ( -9.124 -9.644 1.780) 13.395 4.320 ( 6.455 0.367 -0.320) 6.473 4.740 ( -7.006 -5.724 2.255) 9.324 4.926 ( -8.507 12.309 -3.789) 15.435 5.569 ( -1.376 7.296 2.875) 7.961 6.807 ( -3.556 4.376 -0.198) 5.642 6.850 ( -1.996 1.834 1.400) 3.051 7.289 ( -6.457 -2.288 -3.621) 7.748 7.944 ( -13.273 -4.007 14.377) 19.973 8.941 ( -0.849 4.073 -14.320) 14.912 9.122 ( 4.430 0.958 0.112) 4.534 ======================= Grid point 173 (80/227) ======================= q-point: (-0.10 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -8.485 0.929 -0.673) 8.562 1.398 ( -6.605 -7.866 -4.475) 11.204 1.559 ( -7.356 -7.079 -0.301) 10.213 1.996 ( -11.883 8.206 6.299) 15.755 2.379 ( -6.279 4.113 -9.523) 12.126 2.588 ( -2.723 15.115 -1.130) 15.400 3.583 ( 5.589 4.551 8.492) 11.138 3.684 ( -9.567 -10.649 1.894) 14.440 4.397 ( -9.210 8.264 -0.196) 12.376 4.445 ( -2.142 5.885 -1.407) 6.419 4.805 ( -3.652 -4.764 0.507) 6.024 5.583 ( 6.071 2.176 1.279) 6.575 6.710 ( -0.725 4.625 1.296) 4.857 6.826 ( -0.868 0.776 0.137) 1.173 7.228 ( -6.117 -4.228 -2.661) 7.898 7.935 ( -10.849 -1.797 17.994) 21.089 8.736 ( -4.609 1.090 -18.359) 18.961 9.179 ( 5.343 0.982 0.181) 5.435 ======================= Grid point 181 (81/227) ======================= q-point: (-0.30 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 1.994 0.000 -1.044) 2.251 1.447 ( 4.792 0.000 0.570) 4.825 1.653 ( -17.026 -0.000 -3.831) 17.451 2.474 ( -15.935 -0.000 1.251) 15.984 2.844 ( -13.963 -0.000 -14.150) 19.879 3.115 ( -15.316 -0.000 6.195) 16.521 3.459 ( -10.044 -0.000 2.665) 10.391 3.522 ( 7.655 0.000 9.340) 12.076 4.432 ( 10.982 0.000 -5.732) 12.388 4.523 ( -11.191 -0.000 9.481) 14.668 5.114 ( 2.576 0.000 -5.101) 5.715 5.731 ( -12.252 -0.000 4.353) 13.002 6.877 ( -3.552 -0.000 0.238) 3.560 6.878 ( -5.888 -0.000 0.064) 5.889 7.226 ( -10.273 -0.000 -6.643) 12.234 7.859 ( -12.911 -0.000 17.349) 21.626 9.056 ( 5.440 0.000 -15.374) 16.308 9.104 ( -0.567 -0.000 -0.523) 0.772 ======================= Grid point 182 (82/227) ======================= q-point: (-0.20 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.955 -7.480 0.388) 7.551 1.413 ( -15.219 -2.761 -3.892) 15.949 1.443 ( -5.176 1.803 -2.946) 6.223 2.205 ( -19.172 5.178 2.081) 19.968 2.479 ( -18.300 2.899 -12.095) 22.127 2.944 ( -7.958 7.841 6.428) 12.889 3.399 ( -9.772 -7.096 2.598) 12.353 3.681 ( 7.185 1.956 8.180) 11.062 4.403 ( -2.087 2.958 3.848) 5.283 4.617 ( 4.061 -7.053 -1.000) 8.199 4.959 ( -10.590 15.320 -4.010) 19.051 5.564 ( -10.584 -2.663 2.485) 11.193 6.807 ( -3.355 0.159 0.746) 3.440 6.822 ( -4.574 0.004 1.172) 4.722 7.084 ( -8.289 -3.664 -5.779) 10.748 7.855 ( -11.650 -2.117 21.367) 24.428 8.899 ( -0.578 8.369 -17.685) 19.574 9.133 ( 1.853 -4.693 -3.698) 6.256 ======================= Grid point 183 (83/227) ======================= q-point: (-0.10 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -14.994 -3.521 0.818) 15.423 1.133 ( -18.800 2.445 -5.667) 19.787 1.362 ( -0.235 -10.872 -1.812) 11.024 1.895 ( -18.845 4.415 2.819) 19.559 2.202 ( -11.225 -5.441 -9.133) 15.460 2.786 ( -0.561 12.084 5.165) 13.154 3.405 ( -9.338 -9.350 2.488) 13.447 3.786 ( 7.081 3.928 5.603) 9.847 4.376 ( -6.985 2.577 2.663) 7.907 4.458 ( -12.399 14.201 -3.697) 19.211 4.767 ( 6.017 -3.517 -0.598) 6.995 5.573 ( -5.954 -9.073 1.588) 10.968 6.764 ( -1.114 2.045 3.056) 3.842 6.809 ( -1.697 -1.666 -0.258) 2.392 6.995 ( -9.210 -6.346 -4.225) 11.956 7.914 ( -9.656 -2.675 25.021) 26.952 8.591 ( -3.298 8.135 -23.352) 24.947 9.214 ( 3.451 -4.588 -2.621) 6.311 ======================= Grid point 192 (84/227) ======================= q-point: (-0.20 -0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -11.083 -0.000 -0.804) 11.112 1.199 ( -5.598 -0.000 -2.896) 6.303 1.329 ( -12.688 -0.000 -2.435) 12.919 1.973 ( -20.573 -0.000 0.449) 20.578 2.069 ( -28.849 -0.000 -9.765) 30.457 2.971 ( -3.501 -0.000 7.409) 8.195 3.285 ( -4.457 -0.000 2.830) 5.279 3.843 ( 7.119 0.000 4.821) 8.597 4.370 ( -7.749 -0.000 4.694) 9.059 4.674 ( 10.650 0.000 -2.224) 10.879 4.932 ( -12.922 -0.000 -3.417) 13.366 5.253 ( -23.594 -0.000 0.958) 23.613 6.731 ( -2.975 -0.000 -0.024) 2.975 6.792 ( -4.117 -0.000 2.541) 4.838 6.938 ( -5.241 -0.000 -4.558) 6.946 7.878 ( -8.585 -0.000 23.972) 25.463 8.843 ( 0.412 0.000 -23.168) 23.171 9.028 ( -2.867 -0.000 -1.828) 3.401 ======================= Grid point 193 (85/227) ======================= q-point: (-0.10 -0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -18.221 -8.272 -3.075) 20.245 0.954 ( -24.956 14.637 -0.393) 28.935 1.236 ( 1.683 -8.011 -0.209) 8.188 1.676 ( -20.949 -0.798 1.784) 21.040 1.735 ( -25.273 -14.525 -5.449) 29.654 2.943 ( 0.036 6.329 2.830) 6.933 3.272 ( -2.441 -1.591 1.482) 3.269 3.949 ( 6.965 1.557 1.581) 7.310 4.310 ( -5.527 -1.327 1.732) 5.942 4.471 ( -17.053 19.840 -1.839) 26.226 4.825 ( 8.428 -2.939 -0.302) 8.930 5.163 ( -20.876 -21.828 0.245) 30.205 6.737 ( -0.921 -3.378 0.371) 3.521 6.766 ( -2.508 -1.625 1.761) 3.469 6.842 ( -4.635 0.582 -2.551) 5.323 7.964 ( -5.090 -1.451 19.392) 20.102 8.524 ( -4.460 13.510 -18.151) 23.063 9.099 ( -0.283 -11.796 -2.153) 11.994 ======================= Grid point 203 (86/227) ======================= q-point: (-0.10 -0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -17.553 -0.000 3.392) 17.878 0.777 ( -25.443 -0.000 1.536) 25.489 1.079 ( -37.117 -0.000 2.214) 37.183 1.199 ( 0.188 0.000 2.310) 2.318 1.445 ( -16.228 -0.000 -0.393) 16.233 2.988 ( 0.198 0.000 -3.511) 3.516 3.250 ( -0.574 -0.000 -3.633) 3.678 4.046 ( 5.848 0.000 -0.622) 5.881 4.233 ( -4.058 -0.000 -1.461) 4.313 4.435 ( -17.574 -0.000 2.165) 17.707 4.632 ( -19.829 -0.000 0.010) 19.829 4.905 ( 6.416 0.000 0.466) 6.433 6.694 ( -3.494 -0.000 -2.904) 4.543 6.723 ( 1.210 0.000 -0.002) 1.210 6.800 ( -3.252 -0.000 2.558) 4.138 7.887 ( -6.288 -0.000 -32.429) 33.034 8.625 ( -0.204 -0.000 32.617) 32.618 8.950 ( -1.668 -0.000 1.338) 2.138 ======================= Grid point 204 (87/227) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 1.236 0.000 8.549) 8.638 0.433 ( -2.402 -0.000 11.214) 11.468 1.252 ( 0.623 0.000 5.278) 5.314 1.328 ( 0.187 0.000 7.816) 7.818 1.460 ( 0.774 0.000 37.352) 37.360 2.514 ( -0.200 -0.000 -19.023) 19.024 2.598 ( 0.254 0.000 -18.341) 18.342 3.794 ( 0.017 0.000 -23.047) 23.047 4.295 ( -0.116 -0.000 6.136) 6.137 4.374 ( 0.270 0.000 8.491) 8.495 4.458 ( -0.648 -0.000 9.254) 9.277 4.947 ( -0.055 -0.000 -5.279) 5.279 6.499 ( 0.459 0.000 -2.805) 2.843 6.629 ( -0.532 -0.000 -1.981) 2.051 6.749 ( -0.296 -0.000 1.066) 1.106 6.863 ( 0.202 0.000 1.567) 1.580 9.176 ( -0.104 -0.000 11.426) 11.426 9.831 ( 0.634 0.000 -2.933) 3.001 ======================= Grid point 205 (88/227) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 9.670 -6.846 9.381) 15.113 0.864 ( 17.572 -17.381 5.939) 25.419 1.316 ( 5.192 4.063 11.106) 12.916 1.395 ( -4.303 -6.380 9.288) 12.062 1.948 ( 15.033 -12.883 30.698) 36.528 2.391 ( -2.988 -3.218 -19.340) 19.832 2.525 ( 8.370 -3.096 -21.561) 23.335 3.624 ( 0.846 -0.584 -21.742) 21.766 4.299 ( -2.553 2.327 6.379) 7.254 4.466 ( -0.511 0.421 7.615) 7.643 4.706 ( 12.347 -13.176 3.698) 18.432 4.878 ( 0.769 -0.163 -5.244) 5.303 6.556 ( 1.081 -4.939 -2.279) 5.546 6.698 ( 7.987 -4.003 -4.456) 9.983 6.762 ( 0.530 -1.797 0.557) 1.955 6.890 ( 1.457 -1.557 -0.664) 2.234 9.253 ( -1.247 0.598 11.673) 11.755 9.714 ( -5.221 6.024 0.809) 8.013 ======================= Grid point 206 (89/227) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 12.440 -9.027 10.207) 18.450 1.296 ( 11.406 -11.054 4.739) 16.575 1.457 ( 6.146 0.782 13.765) 15.095 1.491 ( -2.592 -4.966 6.653) 8.698 2.230 ( -2.295 -0.015 -18.308) 18.451 2.426 ( 3.862 -2.925 -4.254) 6.447 2.715 ( 20.973 -19.608 6.174) 29.368 3.522 ( 1.550 -1.343 -13.956) 14.106 4.300 ( 0.618 -0.790 3.409) 3.554 4.475 ( -2.757 2.284 5.596) 6.643 4.718 ( -1.566 1.603 -9.200) 9.469 5.233 ( 14.709 -14.619 2.393) 20.876 6.597 ( 1.177 -1.225 -1.988) 2.615 6.785 ( 1.413 -3.810 1.733) 4.417 6.881 ( 7.732 -4.566 -2.344) 9.280 6.945 ( 4.733 -5.156 -5.650) 8.996 9.288 ( -3.073 2.555 10.914) 11.623 9.585 ( -4.433 4.913 0.963) 6.687 ======================= Grid point 207 (90/227) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 10.988 -6.271 12.683) 17.914 1.533 ( 2.890 -1.995 1.471) 3.807 1.574 ( 3.057 -8.094 0.588) 8.672 1.655 ( 5.146 -1.909 15.400) 16.349 2.066 ( -2.033 0.822 -14.909) 15.070 2.365 ( 0.360 0.325 -16.358) 16.366 3.321 ( 15.286 -15.278 7.779) 22.969 3.488 ( 1.280 -1.186 -0.552) 1.830 4.410 ( -2.359 3.652 3.101) 5.340 4.429 ( 3.652 -5.556 3.129) 7.348 4.637 ( 2.596 -2.293 -9.053) 9.693 5.463 ( 0.967 -1.570 -1.607) 2.446 6.594 ( 0.771 1.202 -1.561) 2.116 6.844 ( -1.026 -1.454 0.617) 1.883 7.076 ( 6.539 -6.484 -2.659) 9.585 7.119 ( 14.373 -12.460 -1.439) 19.076 9.264 ( -4.076 4.291 8.155) 10.077 9.437 ( -6.553 6.754 -1.199) 9.487 ======================= Grid point 208 (91/227) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -4.863 6.301 3.368) 8.643 1.695 ( 1.884 -2.561 0.562) 3.228 1.752 ( 12.341 -8.564 5.919) 16.145 1.865 ( 3.009 -3.446 15.210) 15.883 1.951 ( 0.126 -0.907 -9.898) 9.940 2.201 ( -2.302 2.682 -17.880) 18.226 3.457 ( 1.469 -1.345 0.483) 2.050 3.747 ( 8.028 -8.484 3.794) 12.281 4.296 ( -5.199 4.733 1.053) 7.110 4.483 ( -0.866 1.126 0.076) 1.422 4.894 ( 15.060 -15.341 2.253) 21.615 5.330 ( -8.003 7.113 -5.162) 11.887 6.582 ( 1.707 1.068 -0.615) 2.106 6.833 ( -1.870 -0.241 0.036) 1.886 7.208 ( 3.851 -4.154 -0.696) 5.707 7.544 ( 16.343 -15.860 0.272) 22.775 9.144 ( -10.367 9.759 1.367) 14.303 9.236 ( -3.908 5.351 0.333) 6.634 ======================= Grid point 209 (92/227) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -7.071 7.832 -0.138) 10.553 1.677 ( -4.870 4.199 0.075) 6.431 1.834 ( -3.341 2.498 -0.033) 4.171 1.946 ( -5.901 6.906 0.305) 9.088 2.092 ( 5.773 -4.873 -0.378) 7.564 2.151 ( 13.180 -11.767 0.013) 17.668 3.535 ( 4.034 -4.076 -0.048) 5.734 3.871 ( -0.924 0.407 -0.046) 1.011 4.181 ( -3.539 3.052 0.031) 4.673 4.477 ( 1.307 -0.514 0.045) 1.405 5.030 ( -10.737 9.817 -0.037) 14.549 5.339 ( 13.662 -14.062 0.019) 19.606 6.619 ( 3.941 -1.287 -0.070) 4.146 6.811 ( -1.731 -0.272 0.025) 1.752 7.265 ( -0.470 -0.343 0.141) 0.598 7.936 ( 11.456 -11.676 -0.166) 16.358 8.785 ( -15.015 14.507 0.018) 20.878 9.181 ( 0.673 0.827 -0.057) 1.068 ======================= Grid point 210 (93/227) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -7.485 7.428 2.711) 10.889 1.434 ( -12.492 10.929 -1.129) 16.636 1.726 ( -4.433 5.292 -0.380) 6.914 1.785 ( -4.603 4.755 -1.935) 6.896 2.234 ( 1.121 -1.317 8.352) 8.529 2.457 ( 10.759 -9.647 -3.022) 14.764 3.660 ( 5.609 -6.114 -4.210) 9.304 3.710 ( -10.061 9.841 -1.037) 14.112 4.134 ( -0.292 0.505 1.467) 1.579 4.494 ( -0.714 1.644 -0.095) 1.795 4.823 ( -3.335 2.603 -0.943) 4.335 5.622 ( 5.546 -5.799 0.126) 8.025 6.705 ( 4.493 -2.234 -1.404) 5.210 6.797 ( -1.230 -0.549 0.795) 1.564 7.187 ( -6.758 5.601 1.260) 8.868 8.074 ( -0.011 0.045 -17.781) 17.781 8.476 ( -8.051 7.750 17.616) 20.862 9.226 ( 3.831 -2.090 -0.209) 4.369 ======================= Grid point 211 (94/227) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -8.013 7.782 7.124) 13.248 1.096 ( -13.875 11.931 4.557) 18.858 1.568 ( -3.538 8.861 -0.874) 9.581 1.630 ( -8.168 4.320 -0.714) 9.267 2.217 ( -9.113 9.253 11.292) 17.210 2.650 ( 7.036 -7.165 -8.655) 13.257 3.386 ( -10.379 10.222 -4.591) 15.274 3.783 ( 5.871 -6.797 -8.562) 12.409 4.174 ( 1.702 -0.807 4.815) 5.171 4.401 ( -4.324 4.747 -0.093) 6.422 4.838 ( 2.700 -2.776 -0.709) 3.937 5.595 ( -8.018 7.800 -1.975) 11.360 6.728 ( 0.243 0.554 -3.757) 3.806 6.819 ( 0.439 -0.610 1.581) 1.750 6.980 ( -9.202 8.018 3.183) 12.614 7.771 ( -5.651 6.841 -25.295) 26.807 8.593 ( 1.530 -1.924 23.935) 24.061 9.300 ( 2.428 -0.024 2.861) 3.752 ======================= Grid point 212 (95/227) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -8.201 9.779 10.232) 16.358 0.859 ( -10.517 7.571 15.377) 20.109 1.389 ( -0.352 12.798 -0.521) 12.813 1.423 ( -13.370 2.953 -1.753) 13.804 1.888 ( -21.001 21.171 17.859) 34.759 2.716 ( 4.126 -3.848 -13.612) 14.735 3.120 ( -5.715 5.007 -12.944) 15.009 3.877 ( 5.294 -6.242 -10.438) 13.264 4.257 ( 1.208 -0.976 7.669) 7.825 4.277 ( -3.529 4.258 -0.772) 5.584 4.903 ( 2.498 -2.281 -2.349) 4.119 5.181 ( -20.255 19.805 0.860) 28.342 6.671 ( -0.905 2.395 -3.540) 4.369 6.790 ( -0.393 4.503 -0.425) 4.540 6.857 ( -5.151 -0.258 3.032) 5.983 7.381 ( -8.208 10.543 -24.871) 28.233 8.872 ( 5.574 -5.815 19.909) 21.477 9.356 ( 1.772 0.263 11.060) 11.204 ======================= Grid point 213 (96/227) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -8.209 9.715 10.353) 16.400 0.735 ( -16.115 13.314 11.969) 24.088 1.160 ( -3.881 5.902 10.286) 12.478 1.283 ( -2.487 3.737 3.067) 5.437 1.515 ( -15.750 14.921 23.000) 31.617 2.669 ( 2.857 0.831 -17.211) 17.466 2.828 ( -8.219 5.124 -19.817) 22.057 3.911 ( 2.578 -3.273 -16.071) 16.602 4.227 ( 0.527 -0.620 3.356) 3.454 4.339 ( 0.330 0.006 8.747) 8.754 4.641 ( -17.673 17.357 5.279) 25.327 4.948 ( 1.587 -1.600 -3.153) 3.875 6.591 ( 0.779 5.516 -3.806) 6.747 6.744 ( -0.437 1.607 -0.782) 1.840 6.798 ( -8.971 0.540 -2.365) 9.293 6.927 ( -7.206 11.018 -7.606) 15.204 9.087 ( 1.344 -1.061 10.578) 10.716 9.621 ( 11.018 -10.528 11.151) 18.883 ======================= Grid point 215 (97/227) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 21.760 0.000 4.593) 22.239 1.002 ( 22.761 0.000 3.082) 22.968 1.319 ( -8.198 -0.000 15.566) 17.592 1.627 ( 15.417 0.000 12.614) 19.920 2.183 ( -1.299 -0.000 -21.636) 21.675 2.303 ( 17.787 0.000 28.578) 33.661 2.501 ( 12.509 0.000 -20.053) 23.635 3.474 ( 2.927 0.000 -21.463) 21.661 4.311 ( -4.808 -0.000 6.911) 8.419 4.670 ( 1.449 0.000 -3.966) 4.223 4.741 ( 14.868 0.000 6.077) 16.062 4.846 ( 6.874 0.000 -1.133) 6.967 6.593 ( 7.027 0.000 1.063) 7.106 6.741 ( 2.204 0.000 0.754) 2.330 6.769 ( 8.066 0.000 -5.766) 9.915 6.901 ( 2.166 0.000 -1.622) 2.706 9.326 ( -1.805 -0.000 11.074) 11.220 9.663 ( -6.505 -0.000 -0.150) 6.507 ======================= Grid point 216 (98/227) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 14.536 -1.598 2.539) 14.842 1.317 ( 5.485 -5.699 3.357) 8.593 1.425 ( 6.259 -2.102 14.952) 16.345 1.878 ( 14.626 8.116 12.683) 20.991 2.030 ( 3.256 1.573 -18.532) 18.882 2.517 ( 13.551 5.315 -16.570) 22.056 2.856 ( 18.881 -14.635 19.284) 30.701 3.408 ( 3.792 -3.959 -15.138) 16.100 4.304 ( -2.342 -1.268 5.566) 6.170 4.584 ( -3.122 -1.069 -8.725) 9.328 4.752 ( 11.267 17.223 2.421) 20.722 5.234 ( 12.566 -14.775 1.680) 19.468 6.678 ( 6.737 3.983 1.166) 7.913 6.785 ( 1.515 -2.044 3.384) 4.234 6.907 ( 11.306 -5.191 -5.667) 13.671 6.934 ( 5.260 -2.198 -3.599) 6.742 9.357 ( -3.161 2.070 9.520) 10.243 9.561 ( -5.478 2.262 -1.314) 6.071 ======================= Grid point 217 (99/227) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -6.057 -9.536 6.418) 12.992 1.477 ( -0.185 -8.304 -2.838) 8.778 1.686 ( 19.734 3.224 10.698) 22.677 1.946 ( 7.361 0.811 -14.034) 15.867 2.025 ( 15.375 14.953 10.574) 23.912 2.457 ( 10.887 11.921 -12.011) 20.122 3.357 ( 8.687 -9.675 3.604) 13.493 3.470 ( 5.500 -8.546 0.370) 10.170 4.414 ( 0.457 -6.468 6.104) 8.905 4.537 ( 3.551 -7.012 -9.050) 11.987 4.665 ( 11.455 19.719 1.260) 22.839 5.433 ( -0.770 -1.280 -0.688) 1.644 6.693 ( 5.386 5.931 0.099) 8.012 6.827 ( -0.581 0.048 0.833) 1.017 7.078 ( 8.074 -4.981 -1.574) 9.617 7.171 ( 17.802 -10.903 -1.556) 20.934 9.321 ( -4.687 4.384 6.700) 9.278 9.413 ( -6.635 5.405 -3.086) 9.097 ======================= Grid point 218 (100/227) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -3.847 -1.939 0.768) 4.376 1.492 ( -11.070 -10.639 -0.689) 15.369 1.930 ( 3.435 4.276 -0.091) 5.486 2.012 ( 26.114 9.416 0.032) 27.760 2.096 ( 12.901 4.255 -0.343) 13.589 2.339 ( 8.003 15.640 0.226) 17.571 3.463 ( 2.505 -1.919 -0.032) 3.156 3.722 ( 4.726 -10.239 -0.093) 11.277 4.424 ( -4.782 -2.745 0.031) 5.514 4.532 ( 10.385 19.493 0.036) 22.087 4.886 ( 15.985 -16.710 -0.048) 23.125 5.294 ( -9.115 8.193 0.064) 12.256 6.684 ( 5.478 5.494 -0.034) 7.759 6.809 ( -1.303 0.435 -0.011) 1.374 7.217 ( 4.724 -2.673 0.190) 5.431 7.607 ( 20.466 -12.477 -0.126) 23.969 9.144 ( -11.333 10.910 0.292) 15.734 9.253 ( -3.219 4.015 -0.366) 5.159 ======================= Grid point 219 (101/227) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -1.009 6.061 -3.049) 6.860 1.478 ( -11.281 -5.553 5.011) 13.535 1.799 ( -3.695 9.846 -5.571) 11.902 2.076 ( 12.101 6.501 -8.979) 16.411 2.296 ( 7.005 13.604 13.671) 20.519 2.365 ( 20.547 0.881 2.119) 20.675 3.526 ( 3.653 -3.173 -3.402) 5.915 3.834 ( -2.080 -2.204 -0.641) 3.098 4.418 ( -3.221 -4.989 -0.098) 5.939 4.430 ( 13.940 18.811 0.144) 23.413 5.000 ( -8.234 8.426 -5.122) 12.846 5.328 ( 9.439 -13.251 5.501) 17.174 6.706 ( 6.367 2.850 -0.421) 6.988 6.791 ( -0.792 0.139 0.525) 0.960 7.268 ( 0.032 0.970 0.884) 1.312 7.993 ( 16.006 -6.362 -3.829) 17.644 8.804 ( -12.763 13.779 3.814) 19.165 9.184 ( -0.702 0.353 -1.311) 1.528 ======================= Grid point 220 (102/227) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -0.594 9.872 -1.069) 9.948 1.383 ( -7.021 6.339 3.962) 10.255 1.572 ( -7.809 6.220 0.968) 10.030 2.028 ( 7.704 12.553 -6.166) 15.967 2.333 ( 3.278 6.541 11.366) 13.517 2.598 ( 16.235 2.540 -1.872) 16.539 3.598 ( 4.198 -5.672 -7.718) 10.458 3.686 ( -10.638 9.074 -1.311) 14.043 4.405 ( 12.951 13.024 0.721) 18.381 4.467 ( 2.746 -0.523 0.579) 2.855 4.787 ( -5.582 3.180 -0.688) 6.462 5.581 ( 2.522 -7.152 -0.394) 7.594 6.752 ( 3.896 1.266 -2.124) 4.615 6.799 ( 1.333 0.016 2.255) 2.620 7.193 ( -5.795 6.193 2.370) 8.806 8.012 ( 1.033 9.023 -19.780) 21.765 8.646 ( 0.082 5.030 17.917) 18.610 9.217 ( 1.424 -4.379 0.111) 4.606 ======================= Grid point 221 (103/227) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -6.800 9.712 1.301) 11.927 1.241 ( 4.220 17.140 8.482) 19.584 1.433 ( -8.917 2.114 4.712) 10.305 1.864 ( 4.453 17.650 -3.095) 18.464 2.317 ( -4.442 9.484 11.065) 15.235 2.699 ( 10.462 4.319 -7.917) 13.813 3.349 ( -10.437 11.675 -6.066) 16.794 3.682 ( 4.276 -7.257 -9.247) 12.508 4.364 ( -1.437 5.211 -1.703) 5.667 4.518 ( 16.442 13.569 4.549) 21.798 4.766 ( -2.185 -6.023 -0.503) 6.427 5.547 ( -8.872 5.398 -2.542) 10.692 6.738 ( 0.434 2.458 -0.730) 2.600 6.837 ( 0.572 0.417 2.075) 2.193 6.999 ( -7.621 9.167 2.326) 12.146 7.676 ( -1.409 11.315 -23.378) 26.011 8.816 ( 7.704 0.825 17.921) 19.524 9.303 ( -1.146 -4.325 4.342) 6.234 ======================= Grid point 222 (104/227) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -4.297 7.869 11.442) 14.536 1.125 ( 5.200 19.061 7.342) 21.078 1.312 ( -7.871 5.008 2.906) 9.771 1.657 ( 4.954 18.823 1.395) 19.514 2.082 ( -13.219 22.430 20.280) 33.002 2.663 ( 4.639 1.507 -15.930) 16.660 3.045 ( -3.043 9.274 -14.517) 17.494 3.763 ( 3.116 -6.681 -10.162) 12.554 4.249 ( -3.522 2.676 -1.203) 4.584 4.599 ( 18.452 15.889 5.636) 24.994 4.820 ( -1.106 -6.382 -3.379) 7.306 5.169 ( -19.762 17.422 1.559) 26.391 6.708 ( 1.849 3.306 0.124) 3.789 6.806 ( -5.405 1.957 1.672) 5.986 6.845 ( -0.389 5.144 -0.035) 5.159 7.325 ( -1.387 13.281 -22.057) 25.784 9.050 ( 7.027 -0.857 12.740) 14.575 9.385 ( -2.353 -5.488 11.173) 12.668 ======================= Grid point 223 (105/227) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -4.917 13.751 14.822) 20.807 0.908 ( 1.329 23.924 5.379) 24.557 1.168 ( 0.218 1.202 2.060) 2.395 1.534 ( 1.009 13.648 6.405) 15.110 1.824 ( 0.092 21.633 29.549) 36.622 2.566 ( 0.845 -1.473 -19.821) 19.894 2.744 ( 0.226 12.507 -19.859) 23.470 3.753 ( 0.110 -2.924 -16.443) 16.702 4.234 ( -0.036 -2.223 3.919) 4.506 4.639 ( 1.956 16.820 3.044) 17.204 4.693 ( -2.125 14.516 7.698) 16.568 4.873 ( -0.201 -4.424 -4.355) 6.211 6.688 ( 0.196 3.721 -1.726) 4.107 6.715 ( 0.118 5.418 -2.326) 5.897 6.784 ( -0.527 3.004 0.425) 3.080 6.985 ( -0.066 11.795 -10.711) 15.933 9.178 ( -0.108 0.068 10.611) 10.611 9.587 ( 0.470 -11.136 8.463) 13.995 ======================= Grid point 226 (106/227) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -5.530 -0.000 8.326) 9.995 1.347 ( -0.851 -0.000 -6.512) 6.567 1.718 ( 15.845 0.000 14.962) 21.793 1.942 ( 13.038 0.000 -15.060) 19.920 2.409 ( 21.719 0.000 12.945) 25.284 2.645 ( 17.564 0.000 -16.274) 23.945 3.107 ( 12.584 0.000 15.724) 20.140 3.320 ( 4.553 0.000 -13.099) 13.867 4.309 ( -1.858 -0.000 8.163) 8.371 4.452 ( -2.268 -0.000 -10.226) 10.474 5.186 ( 10.687 0.000 2.938) 11.084 5.209 ( 12.622 0.000 -1.273) 12.686 6.815 ( 3.114 0.000 2.255) 3.845 6.833 ( 4.480 0.000 2.918) 5.346 6.985 ( 10.677 0.000 -2.966) 11.081 6.997 ( 13.600 0.000 -4.298) 14.263 9.387 ( -4.288 -0.000 7.592) 8.719 9.486 ( -5.310 -0.000 -3.512) 6.366 ======================= Grid point 227 (107/227) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -7.556 -5.442 8.907) 12.885 1.258 ( -6.232 -5.415 -8.708) 12.000 2.023 ( 13.236 2.470 0.437) 13.471 2.063 ( 19.121 -0.488 -0.412) 19.131 2.606 ( 21.812 19.243 -0.999) 29.104 2.725 ( 12.106 10.493 0.805) 16.041 3.358 ( 5.381 -6.103 0.146) 8.138 3.401 ( 4.233 -10.847 -0.303) 11.648 4.360 ( -2.783 -0.984 -0.127) 2.955 4.454 ( 6.208 -9.399 0.249) 11.267 5.138 ( 13.607 17.765 -0.010) 22.378 5.405 ( 0.279 -1.631 0.021) 1.655 6.844 ( 4.564 4.430 0.237) 6.364 6.858 ( 1.968 2.980 -0.391) 3.593 7.151 ( 10.585 -1.053 0.324) 10.642 7.278 ( 19.511 -10.386 -0.095) 22.103 9.344 ( -6.721 3.379 4.111) 8.573 9.357 ( -5.378 2.796 -4.169) 7.357 ======================= Grid point 228 (108/227) ======================= q-point: ( 0.40 0.20 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -8.826 -7.818 -4.423) 12.593 1.319 ( -5.422 -8.045 6.537) 11.698 2.054 ( 8.644 7.283 -10.290) 15.286 2.350 ( 14.880 2.427 6.392) 16.376 2.554 ( 19.109 18.543 -7.743) 27.730 2.748 ( 12.902 17.352 11.913) 24.687 3.466 ( 2.691 -2.391 -2.820) 4.572 3.603 ( 2.256 -12.584 0.118) 12.785 4.327 ( -3.661 -1.261 -0.457) 3.899 4.720 ( 5.227 -10.958 0.175) 12.142 5.117 ( 17.768 13.950 -3.969) 22.936 5.318 ( -4.145 8.197 5.105) 10.509 6.826 ( 2.473 4.196 -1.015) 4.975 6.840 ( 3.715 4.575 0.465) 5.911 7.279 ( 6.426 0.715 1.493) 6.636 7.728 ( 20.657 -12.312 0.170) 24.048 9.132 ( -9.939 9.004 -1.099) 13.456 9.247 ( -4.529 3.224 -0.903) 5.632 ======================= Grid point 229 (109/227) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -9.976 -6.896 -0.425) 12.135 1.404 ( -3.352 -6.692 4.154) 8.560 1.905 ( 1.753 13.679 -7.564) 15.729 2.387 ( 14.120 14.946 -6.029) 21.427 2.638 ( 8.642 7.642 12.426) 16.956 2.794 ( 19.256 15.563 3.594) 25.018 3.484 ( 2.271 -2.838 -8.669) 9.400 3.761 ( -1.323 -4.944 2.293) 5.609 4.294 ( -4.457 -3.988 -0.402) 5.995 4.835 ( 8.373 5.030 0.592) 9.786 4.994 ( -4.148 10.365 -5.346) 12.378 5.395 ( 13.730 0.317 4.874) 14.573 6.804 ( 2.050 2.749 -0.319) 3.444 6.844 ( 4.456 3.449 0.444) 5.653 7.319 ( 1.613 3.838 2.278) 4.746 8.092 ( 13.668 -4.955 -6.176) 15.795 8.862 ( -8.636 10.203 5.917) 14.618 9.156 ( -2.121 0.529 -2.199) 3.101 ======================= Grid point 230 (110/227) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -9.580 -3.479 -0.642) 10.213 1.463 ( -1.211 -2.570 2.768) 3.966 1.677 ( -1.436 14.634 1.184) 14.752 2.313 ( 11.188 15.927 -4.523) 19.982 2.662 ( 6.154 15.410 11.786) 20.353 2.885 ( 15.228 9.359 -1.460) 17.933 3.499 ( 2.269 -5.736 -10.083) 11.820 3.662 ( -9.205 8.760 -0.991) 12.746 4.348 ( 0.099 -7.378 -0.638) 7.406 4.734 ( -6.176 7.897 -2.751) 10.396 4.919 ( 12.662 8.586 3.492) 15.692 5.567 ( 7.982 0.745 -1.508) 8.158 6.797 ( 1.577 2.280 0.636) 2.844 6.869 ( 3.496 1.930 0.457) 4.020 7.247 ( -3.557 8.203 3.969) 9.782 8.011 ( -1.717 11.544 -18.090) 21.528 8.851 ( 4.761 0.839 14.189) 14.990 9.159 ( -0.744 -4.442 0.500) 4.531 ======================= Grid point 231 (111/227) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -5.008 0.545 -0.690) 5.085 1.475 ( -0.385 3.526 2.729) 4.475 1.507 ( -2.838 10.812 8.475) 14.028 2.178 ( 6.368 18.356 -0.959) 19.453 2.598 ( 7.500 17.591 8.057) 20.751 2.868 ( 3.282 11.412 -3.622) 12.415 3.348 ( -7.680 12.875 -5.064) 15.824 3.558 ( 2.398 -8.047 -8.673) 12.072 4.364 ( -0.465 4.594 -5.719) 7.351 4.622 ( -4.702 -6.429 -0.046) 7.965 5.015 ( 15.060 10.208 4.259) 18.686 5.522 ( -2.949 9.726 -3.165) 10.645 6.791 ( 1.392 3.122 2.571) 4.277 6.869 ( -1.092 2.349 1.162) 2.839 7.079 ( -4.036 11.061 3.944) 12.418 7.653 ( -1.487 12.472 -21.454) 24.860 9.044 ( 7.904 -0.312 10.225) 12.928 9.237 ( -3.056 -6.286 6.430) 9.497 ======================= Grid point 232 (112/227) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 2.198 0.786 6.181) 6.607 1.373 ( -2.138 11.599 8.412) 14.487 1.412 ( -1.757 9.481 2.467) 9.953 1.983 ( 0.592 18.037 2.806) 18.263 2.499 ( 0.069 24.199 21.219) 32.184 2.623 ( 1.026 8.209 -17.450) 19.312 3.080 ( 0.521 12.342 -11.587) 16.937 3.620 ( 0.054 -6.913 -9.189) 11.499 4.243 ( 0.163 3.278 -3.332) 4.676 4.685 ( 0.047 -7.082 -4.200) 8.233 5.072 ( -0.940 10.057 5.100) 11.315 5.207 ( 0.600 20.465 -0.539) 20.481 6.788 ( -1.878 3.487 -1.415) 4.206 6.802 ( 1.056 3.518 5.777) 6.845 6.943 ( 0.088 8.690 1.630) 8.842 7.324 ( 0.125 11.443 -20.791) 23.733 9.172 ( -0.205 -0.602 7.768) 7.794 9.365 ( 0.544 -6.402 9.504) 11.472 ======================= Grid point 233 (113/227) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -2.299 13.027 14.497) 19.625 1.206 ( 3.580 6.063 5.311) 8.820 1.312 ( 5.690 10.970 3.922) 12.965 1.731 ( -7.471 16.295 6.306) 19.003 2.307 ( -0.739 5.062 -3.409) 6.147 2.526 ( 7.290 15.040 5.935) 17.736 2.809 ( 5.658 15.127 -17.172) 23.574 3.600 ( -0.681 -3.167 -11.838) 12.274 4.253 ( 3.202 -0.105 1.835) 3.692 4.671 ( -15.378 12.572 3.166) 20.114 4.740 ( -1.472 -3.811 -6.067) 7.314 5.198 ( 17.003 14.906 2.518) 22.752 6.685 ( -3.637 3.936 -1.809) 5.656 6.830 ( 4.076 6.783 1.502) 8.055 6.851 ( 1.448 3.400 1.178) 3.879 7.059 ( 3.122 9.812 -13.659) 17.105 9.221 ( -3.592 -1.670 10.654) 11.367 9.519 ( -0.601 -6.726 4.876) 8.330 ======================= Grid point 237 (114/227) ======================= q-point: ( 0.30 0.30 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -5.376 -0.000 -7.092) 8.900 1.186 ( -7.186 -0.000 9.816) 12.165 2.160 ( 15.047 0.000 -15.492) 21.597 2.370 ( 15.843 0.000 12.409) 20.124 2.924 ( 14.709 0.000 -8.406) 16.941 3.076 ( 12.085 0.000 7.668) 14.312 3.352 ( 0.172 0.000 0.556) 0.581 3.362 ( 6.435 0.000 0.829) 6.488 4.357 ( 4.310 0.000 -4.331) 6.110 4.439 ( -0.417 -0.000 5.321) 5.338 5.359 ( 3.008 0.000 -6.747) 7.388 5.456 ( 6.181 0.000 7.112) 9.422 6.918 ( 3.171 0.000 -1.422) 3.476 6.924 ( 3.142 0.000 -0.643) 3.207 7.381 ( 15.987 0.000 -1.412) 16.049 7.413 ( 16.708 0.000 4.575) 17.323 9.257 ( -6.073 -0.000 -5.021) 7.880 9.301 ( -7.519 -0.000 2.153) 7.822 ======================= Grid point 238 (115/227) ======================= q-point: ( 0.40 0.30 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -4.334 -3.026 -1.580) 5.517 1.199 ( -6.083 -5.475 7.541) 11.128 2.190 ( 11.349 5.829 -14.875) 19.597 2.631 ( 13.106 2.867 4.756) 14.234 2.907 ( 5.969 12.371 3.349) 14.138 3.231 ( 15.908 10.783 2.849) 19.428 3.370 ( -0.798 -6.369 -3.787) 7.453 3.538 ( 5.405 -6.615 3.272) 9.148 4.310 ( -2.455 5.296 0.187) 5.840 4.591 ( 1.483 -13.884 1.582) 14.052 5.277 ( 0.419 7.155 -7.930) 10.689 5.568 ( 8.735 4.719 7.695) 12.561 6.918 ( 2.856 4.094 -0.827) 5.060 6.937 ( 2.648 2.312 -0.961) 3.644 7.469 ( 11.092 8.474 1.368) 14.026 7.816 ( 16.679 -12.849 1.362) 21.098 9.102 ( -7.766 5.734 -1.280) 9.738 9.192 ( -6.343 0.801 -1.808) 6.644 ======================= Grid point 239 (116/227) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -5.620 -2.698 2.495) 6.715 1.270 ( -3.734 -8.451 2.875) 9.676 2.085 ( 5.978 13.219 -8.466) 16.798 2.668 ( 7.122 8.276 -4.505) 11.812 2.947 ( 6.536 7.425 14.849) 17.842 3.263 ( 13.629 13.961 0.580) 19.519 3.395 ( 2.953 -1.503 -10.326) 10.844 3.718 ( 1.437 -5.025 4.072) 6.625 4.196 ( -5.148 0.065 -0.520) 5.175 4.791 ( -2.813 -11.733 1.792) 12.197 5.084 ( 0.670 12.687 -4.164) 13.369 5.693 ( 11.706 3.926 1.952) 12.500 6.893 ( 2.940 4.499 0.434) 5.392 6.933 ( 2.652 2.381 -0.948) 3.688 7.477 ( 5.928 9.792 2.651) 11.749 8.124 ( 7.474 -4.939 -4.954) 10.237 8.916 ( -5.793 5.397 5.273) 9.513 9.111 ( -2.206 -0.311 -2.495) 3.345 ======================= Grid point 240 (117/227) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -4.522 -1.560 1.339) 4.967 1.353 ( -2.232 -8.337 -1.296) 8.727 1.907 ( 1.783 15.809 2.059) 16.042 2.601 ( 5.324 10.912 -2.050) 12.313 3.015 ( 4.854 10.327 13.007) 17.303 3.235 ( 11.016 15.869 -2.083) 19.430 3.367 ( 1.096 -4.217 -10.794) 11.641 3.649 ( -7.682 7.302 -2.385) 10.864 4.268 ( 3.200 -8.814 2.999) 9.845 4.705 ( -8.285 7.035 -7.242) 13.061 5.058 ( 3.499 -1.531 5.760) 6.911 5.768 ( 8.565 5.892 -3.898) 11.103 6.888 ( 3.144 3.837 1.988) 5.344 6.927 ( 1.193 1.981 -0.426) 2.351 7.400 ( 0.890 12.604 4.992) 13.586 8.006 ( -3.648 10.970 -13.975) 18.137 8.969 ( 2.306 -4.959 10.418) 11.766 9.106 ( -0.111 -2.156 -0.038) 2.159 ======================= Grid point 241 (118/227) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.998 -1.666 0.157) 1.948 1.415 ( -0.629 -6.364 -3.715) 7.396 1.749 ( -0.736 15.064 10.003) 18.097 2.459 ( 0.631 15.393 0.382) 15.411 3.001 ( 1.563 12.615 12.472) 17.808 3.023 ( -1.090 18.510 -9.550) 20.857 3.402 ( 0.028 -7.838 -6.187) 9.986 3.428 ( 0.032 11.483 -3.034) 11.877 4.431 ( -0.205 10.287 -8.772) 13.521 4.464 ( 0.748 -9.041 1.648) 9.220 5.163 ( -0.413 -2.242 5.387) 5.850 5.670 ( -0.047 11.874 -5.777) 13.205 6.882 ( -0.886 3.331 -0.685) 3.514 6.902 ( 0.490 2.978 4.670) 5.560 7.252 ( -0.148 13.753 5.287) 14.735 7.672 ( 0.029 14.418 -16.814) 22.149 9.140 ( -0.760 -1.836 3.295) 3.848 9.168 ( 1.003 -8.130 8.243) 11.621 ======================= Grid point 242 (119/227) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 7.217 -3.552 3.341) 8.710 1.453 ( 1.396 -1.430 -2.380) 3.108 1.620 ( -0.804 14.300 11.856) 18.593 2.207 ( -6.209 17.444 2.693) 18.711 2.574 ( -12.425 17.121 -10.047) 23.419 2.927 ( -2.186 11.924 4.258) 12.849 3.277 ( 10.185 16.370 -2.828) 19.486 3.456 ( -1.011 -6.364 -4.589) 7.911 4.299 ( 3.619 3.152 -3.109) 5.718 4.598 ( 4.816 -4.053 -3.517) 7.210 5.065 ( -15.864 10.782 3.819) 19.558 5.473 ( 2.518 6.756 -3.341) 7.946 6.787 ( -4.212 4.009 -0.020) 5.815 6.905 ( -0.206 1.430 2.109) 2.556 7.136 ( 4.347 12.027 3.435) 13.241 7.380 ( 4.313 15.556 -14.172) 21.482 9.167 ( -4.317 -2.214 7.155) 8.645 9.331 ( -0.563 -7.798 3.958) 8.763 ======================= Grid point 243 (120/227) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 6.167 -2.167 10.130) 12.056 1.413 ( 3.684 11.949 4.964) 13.453 1.549 ( 3.836 7.809 6.610) 10.927 1.865 ( -12.042 15.442 4.754) 20.151 2.200 ( -3.229 4.800 -15.552) 16.593 2.647 ( -9.981 10.007 -10.499) 17.607 3.259 ( 17.877 18.119 6.863) 26.363 3.481 ( -1.021 -3.643 -2.800) 4.707 4.356 ( 7.051 1.342 1.716) 7.379 4.625 ( -14.583 6.549 1.194) 16.031 4.667 ( 0.607 5.179 -5.249) 7.399 5.465 ( 3.876 1.688 -2.101) 4.721 6.664 ( -4.640 3.388 -2.096) 6.115 6.881 ( -1.608 1.079 -0.281) 1.956 7.089 ( 8.041 10.671 2.429) 13.580 7.177 ( 8.249 13.714 -7.919) 17.856 9.204 ( -4.422 -3.283 8.824) 10.402 9.418 ( -4.256 -7.389 0.756) 8.560 ======================= Grid point 248 (121/227) ======================= q-point: ( 0.40 0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -0.097 -0.000 0.675) 0.682 1.126 ( -6.785 -0.000 7.141) 9.850 2.288 ( 12.294 0.000 -13.494) 18.254 2.763 ( 1.385 0.000 -5.876) 6.037 3.104 ( 3.354 0.000 12.887) 13.316 3.324 ( 3.146 0.000 3.244) 4.519 3.519 ( 13.294 0.000 -1.923) 13.433 3.576 ( 5.711 0.000 0.171) 5.714 4.328 ( -6.299 -0.000 -3.610) 7.260 4.479 ( -1.946 -0.000 6.564) 6.846 5.319 ( 7.129 0.000 -8.472) 11.072 5.704 ( 0.546 0.000 6.959) 6.980 6.966 ( 1.307 0.000 -1.002) 1.647 6.975 ( 1.721 0.000 -0.382) 1.763 7.737 ( 13.134 0.000 -4.426) 13.860 7.910 ( 10.872 0.000 6.438) 12.635 9.063 ( -4.625 -0.000 -0.218) 4.631 9.067 ( -7.812 -0.000 -2.617) 8.239 ======================= Grid point 249 (122/227) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -0.641 1.926 2.389) 3.135 1.132 ( -3.983 -6.457 1.943) 7.832 2.293 ( 8.291 10.691 -5.672) 14.670 2.692 ( -3.278 -2.821 -4.583) 6.301 3.229 ( 5.239 5.559 12.845) 14.944 3.352 ( 1.355 2.288 -2.715) 3.801 3.585 ( 9.275 6.635 -3.316) 11.876 3.705 ( 1.465 -3.098 0.521) 3.466 4.169 ( -2.160 4.994 0.049) 5.441 4.555 ( -7.394 -12.285 0.600) 14.351 5.302 ( 7.702 12.832 -1.407) 15.032 5.757 ( -0.949 -5.440 0.463) 5.542 6.967 ( 1.119 1.359 -0.050) 1.761 6.979 ( 1.154 1.517 -0.300) 1.930 7.763 ( 9.064 12.557 0.776) 15.506 8.100 ( 1.648 -4.326 -1.298) 4.808 8.932 ( -3.133 2.784 1.730) 4.534 9.045 ( -2.195 -2.993 -0.934) 3.827 ======================= Grid point 250 (123/227) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -0.014 1.319 1.050) 1.686 1.200 ( -0.148 -7.889 -3.244) 8.531 2.158 ( -0.215 14.355 4.364) 15.005 2.699 ( 0.490 -0.279 -0.153) 0.584 3.265 ( 0.329 7.615 10.423) 12.912 3.280 ( -0.147 2.064 -9.275) 9.503 3.525 ( -0.897 14.629 -1.734) 14.759 3.622 ( 0.625 3.097 -4.884) 5.817 4.224 ( -0.147 -6.491 5.870) 8.753 4.594 ( 0.324 -4.673 -7.462) 8.811 5.195 ( -0.065 10.336 6.114) 12.009 5.803 ( 0.021 -2.260 -4.877) 5.375 6.958 ( -0.227 1.836 0.606) 1.947 6.964 ( 0.236 1.902 0.214) 1.928 7.662 ( -0.332 15.206 5.375) 16.132 8.015 ( 0.096 7.922 -9.406) 12.298 8.969 ( 0.138 -4.685 6.214) 7.783 9.071 ( -0.052 -3.381 -0.613) 3.437 ======================= Grid point 251 (124/227) ======================= q-point: (-0.30 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 4.478 -2.007 0.086) 4.908 1.294 ( 3.627 -7.364 -5.615) 9.945 1.996 ( -3.975 12.712 10.371) 16.880 2.616 ( -4.785 10.652 2.070) 11.860 3.049 ( -10.058 11.763 -11.280) 19.151 3.227 ( -5.801 11.925 3.255) 13.655 3.303 ( -0.918 -0.350 2.539) 2.723 3.603 ( 8.640 6.368 -3.921) 11.427 4.291 ( -5.766 -5.427 0.462) 7.932 4.627 ( 12.629 4.701 -4.853) 14.323 5.149 ( -5.331 -0.192 7.490) 9.195 5.690 ( -6.401 7.136 -6.408) 11.531 6.902 ( -2.939 3.991 0.685) 5.003 6.933 ( -2.655 1.083 0.866) 2.996 7.448 ( -4.809 11.596 1.796) 12.681 7.854 ( 8.823 15.836 -6.005) 19.097 9.091 ( -2.205 -7.555 5.205) 9.436 9.107 ( -1.789 -3.457 0.482) 3.922 ======================= Grid point 252 (125/227) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 8.543 -5.665 2.560) 10.565 1.418 ( 7.029 -6.337 -5.706) 11.051 1.864 ( -3.972 10.678 12.011) 16.555 2.324 ( -14.224 16.667 4.934) 22.460 2.593 ( -9.946 19.438 -10.461) 24.211 2.901 ( -14.686 8.704 -9.508) 19.540 3.392 ( 1.678 -1.756 5.800) 6.288 3.624 ( 11.663 7.763 -0.913) 14.040 4.308 ( 1.164 -4.107 -0.843) 4.351 4.702 ( 8.253 4.936 -0.481) 9.629 5.044 ( -12.705 10.356 5.702) 17.354 5.438 ( -6.263 1.610 -6.729) 9.333 6.780 ( -5.372 5.032 -0.847) 7.409 6.888 ( -2.853 0.203 0.601) 2.922 7.296 ( 0.120 6.424 -1.440) 6.584 7.715 ( 11.089 20.693 -0.990) 23.498 9.121 ( -4.126 -3.103 3.340) 6.149 9.180 ( -5.392 -9.171 1.046) 10.690 ======================= Grid point 253 (126/227) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 4.881 -4.913 6.479) 9.484 1.569 ( 8.471 -5.583 -4.420) 11.067 1.778 ( -0.185 11.828 10.166) 15.598 1.893 ( -15.106 13.412 7.314) 21.485 2.190 ( -3.959 14.186 -9.594) 17.577 2.498 ( -12.982 6.901 -15.701) 21.510 3.446 ( 0.727 0.252 2.242) 2.370 3.692 ( 11.263 8.048 4.377) 14.518 4.409 ( 2.933 -4.392 0.302) 5.290 4.522 ( -17.496 9.377 1.097) 19.881 4.870 ( 10.672 11.822 3.375) 16.280 5.374 ( -4.356 -5.783 -6.974) 10.053 6.633 ( -4.212 3.885 -1.655) 5.965 6.859 ( -1.859 -0.004 0.099) 1.861 7.232 ( 2.665 4.782 -1.401) 5.650 7.591 ( 12.679 20.257 0.903) 23.915 9.135 ( -6.475 -6.015 2.910) 9.305 9.216 ( -6.458 -7.810 0.134) 10.135 ======================= Grid point 259 (127/227) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -5.145 -0.000 0.184) 5.148 1.026 ( 4.807 0.000 -0.049) 4.808 2.504 ( -11.856 -0.000 -0.127) 11.857 2.515 ( 11.698 0.000 -0.149) 11.699 3.375 ( 1.032 0.000 0.475) 1.136 3.376 ( -0.885 -0.000 0.097) 0.890 3.677 ( -1.638 -0.000 -0.180) 1.648 3.683 ( 1.776 0.000 -0.137) 1.781 4.301 ( -11.148 -0.000 -0.056) 11.148 4.302 ( 10.767 0.000 -0.001) 10.767 5.576 ( 12.908 0.000 0.048) 12.908 5.577 ( -12.827 -0.000 -0.015) 12.827 6.986 ( 0.628 0.000 0.068) 0.632 6.990 ( -0.408 -0.000 -0.089) 0.418 8.001 ( -9.548 -0.000 0.161) 9.549 8.009 ( 9.374 0.000 -0.112) 9.375 8.961 ( 3.051 0.000 0.074) 3.052 8.971 ( -3.017 -0.000 -0.088) 3.018 ======================= Grid point 260 (128/227) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -1.354 0.100 -2.357) 2.720 1.135 ( 6.712 -3.438 -1.841) 7.763 2.284 ( -11.521 7.278 5.666) 14.758 2.697 ( 3.727 -2.565 4.181) 6.161 3.231 ( -5.461 5.687 -12.418) 14.710 3.360 ( -1.829 1.179 2.740) 3.499 3.576 ( -7.316 9.037 2.898) 11.983 3.711 ( 2.564 0.841 -0.304) 2.715 4.160 ( -4.096 -0.747 -0.439) 4.187 4.552 ( 11.754 -7.740 -0.588) 14.085 5.305 ( -12.026 8.272 1.507) 14.674 5.759 ( 5.162 -1.445 -0.566) 5.390 6.969 ( -1.674 1.153 -0.089) 2.035 6.982 ( -0.521 1.526 0.618) 1.726 7.748 ( -13.457 8.505 -1.513) 15.991 8.112 ( 5.161 2.496 2.371) 6.203 8.935 ( -1.540 -2.062 -2.355) 3.489 9.041 ( 2.978 -1.975 1.227) 3.778 ======================= Grid point 261 (129/227) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 3.472 -4.975 -2.472) 6.550 1.272 ( 8.926 -3.366 -2.956) 9.987 2.082 ( -13.322 5.292 8.737) 16.787 2.674 ( -7.752 7.582 4.236) 11.641 2.946 ( -7.366 6.697 -15.188) 18.160 3.254 ( -14.913 15.363 -0.278) 21.412 3.400 ( 2.639 1.681 9.508) 10.009 3.726 ( 4.892 1.223 -4.120) 6.512 4.175 ( -0.316 -4.614 -0.128) 4.627 4.782 ( 11.175 -2.626 -2.014) 11.655 5.093 ( -11.670 1.126 4.404) 12.524 5.699 ( -3.765 11.008 -2.000) 11.805 6.904 ( -3.498 2.993 -0.731) 4.661 6.931 ( -3.000 3.324 1.882) 4.857 7.463 ( -8.875 5.762 -2.563) 10.887 8.137 ( 4.567 7.974 5.789) 10.860 8.925 ( -3.891 -5.945 -6.742) 9.794 9.095 ( 0.099 -0.591 2.998) 3.057 ======================= Grid point 262 (130/227) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 7.688 -9.554 0.620) 12.279 1.409 ( 7.258 -3.562 -4.671) 9.338 1.912 ( -13.438 1.783 8.190) 15.838 2.384 ( -15.125 15.281 5.929) 22.303 2.634 ( -6.873 9.272 -12.577) 17.070 2.763 ( -16.124 19.323 -5.066) 25.672 3.493 ( 3.139 2.628 7.966) 8.957 3.772 ( 4.949 -1.678 -1.997) 5.594 4.261 ( 3.618 -5.006 -0.234) 6.180 4.812 ( -4.849 8.317 -0.922) 9.672 5.015 ( -9.494 -4.026 5.663) 11.765 5.421 ( -0.389 13.270 -4.287) 13.951 6.779 ( -4.214 5.901 -0.951) 7.313 6.871 ( -2.446 1.362 1.280) 3.079 7.326 ( -2.600 1.864 -1.560) 3.559 8.098 ( 4.708 14.050 6.812) 16.309 8.879 ( -9.563 -9.364 -8.082) 15.635 9.120 ( -0.619 -0.858 2.951) 3.135 ======================= Grid point 263 (131/227) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -5.611 -0.095 2.819) 6.280 1.482 ( 5.418 -11.389 -5.542) 13.776 1.809 ( -10.182 -3.298 6.373) 12.456 2.055 ( -4.778 13.108 8.762) 16.475 2.285 ( -13.756 9.095 -11.839) 20.301 2.341 ( -0.284 17.263 -5.045) 17.987 3.528 ( 3.404 3.982 3.053) 6.063 3.846 ( 1.692 -1.935 0.807) 2.694 4.395 ( 5.310 -4.224 -0.073) 6.786 4.432 ( -18.244 13.056 0.085) 22.434 5.021 ( -8.774 -7.643 5.296) 12.784 5.341 ( 12.464 9.955 -5.396) 16.840 6.650 ( -1.282 5.366 -0.372) 5.529 6.838 ( -1.757 0.390 0.248) 1.817 7.283 ( -0.803 0.859 -0.371) 1.233 7.998 ( 6.477 16.318 4.058) 18.019 8.817 ( -14.116 -12.890 -4.845) 19.721 9.151 ( 0.457 -1.242 1.536) 2.027 ======================= Grid point 270 (132/227) ======================= q-point: (-0.40 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -0.120 -0.000 -4.703) 4.704 1.231 ( 9.732 0.000 -0.305) 9.737 2.154 ( -18.301 -0.000 6.420) 19.394 2.755 ( -2.099 -0.000 4.933) 5.361 3.067 ( -8.076 -0.000 -15.013) 17.047 3.375 ( 1.159 0.000 1.463) 1.866 3.580 ( -10.996 -0.000 6.716) 12.885 3.684 ( -4.481 -0.000 4.235) 6.165 4.129 ( 5.687 0.000 -8.355) 10.106 4.676 ( 9.501 0.000 5.116) 10.791 5.146 ( -13.699 -0.000 -2.843) 13.991 5.856 ( 4.074 0.000 2.689) 4.882 6.954 ( -2.027 -0.000 0.055) 2.028 6.986 ( -1.638 -0.000 0.664) 1.767 7.564 ( -16.010 -0.000 -5.083) 16.798 8.192 ( -3.435 -0.000 12.151) 12.627 8.868 ( 1.803 0.000 -11.271) 11.414 9.090 ( 2.499 0.000 1.949) 3.169 ======================= Grid point 271 (133/227) ======================= q-point: (-0.30 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 3.765 -5.232 -3.245) 7.216 1.361 ( 8.413 -0.598 -0.777) 8.470 1.928 ( -20.346 -0.024 5.349) 21.037 2.657 ( -11.918 4.465 3.059) 13.089 2.811 ( -9.056 4.994 -12.561) 16.270 3.251 ( -12.651 10.765 0.463) 16.618 3.541 ( 2.933 1.923 9.682) 10.298 3.676 ( -5.757 -4.729 0.951) 7.510 4.185 ( 9.699 -0.193 -5.596) 11.199 4.809 ( -5.133 -4.926 6.842) 9.871 4.991 ( -0.496 1.929 -4.998) 5.380 5.809 ( -4.563 10.095 1.599) 11.193 6.901 ( -3.034 2.950 0.576) 4.271 6.938 ( -3.599 2.162 0.448) 4.222 7.328 ( -11.456 -1.231 -4.277) 12.290 8.232 ( -7.995 -1.885 17.085) 18.957 8.789 ( 2.084 1.660 -16.748) 16.959 9.117 ( 0.136 0.113 1.391) 1.403 ======================= Grid point 272 (134/227) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 6.591 -11.367 -0.452) 13.148 1.426 ( 0.460 1.021 -2.024) 2.313 1.705 ( -19.186 -3.482 2.687) 19.683 2.388 ( -15.642 9.162 4.703) 18.728 2.490 ( -13.381 7.283 -9.644) 18.031 2.893 ( -7.344 18.702 0.667) 20.103 3.634 ( 2.923 0.477 5.087) 5.886 3.674 ( -5.082 -6.268 -0.559) 8.088 4.304 ( 9.203 -1.212 -0.755) 9.313 4.795 ( -9.556 -4.188 3.019) 10.861 4.864 ( -9.200 10.222 -2.776) 14.030 5.596 ( 0.147 9.320 0.362) 9.328 6.812 ( -2.310 5.225 0.454) 5.731 6.865 ( -2.599 1.446 0.104) 2.976 7.229 ( -7.414 -4.867 -1.699) 9.030 8.282 ( -8.451 -0.821 20.501) 22.190 8.603 ( -3.584 3.114 -20.524) 21.066 9.134 ( 1.295 -0.810 0.530) 1.617 ======================= Grid point 273 (135/227) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -16.994 7.102 -0.261) 18.420 1.360 ( 3.311 -14.584 0.202) 14.957 1.573 ( -11.771 -9.149 0.002) 14.908 2.096 ( -18.024 7.082 0.062) 19.366 2.208 ( -1.024 5.055 -0.211) 5.161 2.597 ( 0.743 17.905 0.021) 17.920 3.668 ( 5.800 4.861 -0.073) 7.568 3.703 ( -8.681 -10.609 -0.048) 13.708 4.395 ( -17.075 17.017 0.003) 24.107 4.433 ( 5.007 -2.705 0.080) 5.692 4.815 ( -4.756 -6.392 0.003) 7.967 5.590 ( 7.646 3.999 0.008) 8.628 6.725 ( 0.854 5.225 -0.092) 5.295 6.824 ( -1.711 0.759 0.044) 1.872 7.200 ( -7.040 -5.618 0.118) 9.008 8.265 ( -0.500 12.837 0.268) 12.850 8.403 ( -13.959 -12.358 -0.361) 18.647 9.182 ( 3.751 -0.345 -0.030) 3.767 ======================= Grid point 281 (136/227) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 4.559 0.000 -1.352) 4.756 1.440 ( 3.472 0.000 -0.525) 3.511 1.653 ( -22.305 -0.000 1.696) 22.370 2.505 ( -16.840 -0.000 1.112) 16.876 2.628 ( -13.578 -0.000 -6.619) 15.106 3.180 ( -10.138 -0.000 1.237) 10.213 3.494 ( -10.105 -0.000 0.985) 10.153 3.694 ( 4.457 0.000 6.014) 7.486 4.318 ( 14.083 0.000 -4.300) 14.725 4.666 ( -12.792 -0.000 4.365) 13.516 5.035 ( 4.368 0.000 -2.558) 5.062 5.784 ( -12.609 -0.000 1.182) 12.664 6.880 ( -6.323 -0.000 0.029) 6.323 6.895 ( -2.818 -0.000 1.010) 2.994 7.118 ( -10.235 -0.000 -3.393) 10.783 8.202 ( -10.653 -0.000 15.630) 18.916 8.736 ( 3.566 0.000 -15.099) 15.515 9.105 ( -2.317 -0.000 0.256) 2.331 ======================= Grid point 282 (137/227) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 2.568 -7.923 0.088) 8.329 1.389 ( -18.700 -3.622 0.187) 19.048 1.409 ( -6.839 3.461 -0.132) 7.666 2.236 ( -19.653 2.771 -0.040) 19.847 2.338 ( -18.203 3.425 -0.241) 18.524 3.010 ( -5.206 9.318 0.038) 10.674 3.423 ( -8.691 -6.843 0.000) 11.062 3.770 ( 5.875 2.141 -0.198) 6.256 4.430 ( 4.325 3.643 0.101) 5.655 4.619 ( -1.337 -8.147 0.139) 8.257 4.914 ( -10.788 15.678 -0.052) 19.031 5.588 ( -10.887 -2.724 0.010) 11.223 6.816 ( -4.294 -2.332 -0.058) 4.887 6.841 ( -2.635 2.489 -0.208) 3.631 7.017 ( -8.742 -4.407 0.262) 9.793 8.170 ( -8.898 -4.228 0.312) 9.856 8.612 ( -1.911 10.576 -0.344) 10.752 9.107 ( -0.697 -4.674 0.041) 4.726 ======================= Grid point 283 (138/227) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -17.876 -2.247 -1.449) 18.075 1.144 ( -16.809 1.194 4.936) 17.559 1.356 ( 0.154 -11.375 1.085) 11.427 1.908 ( -18.879 4.045 -2.169) 19.429 2.168 ( -11.269 -5.565 6.473) 14.137 2.801 ( -0.305 12.628 -3.729) 13.171 3.411 ( -9.167 -9.295 -1.854) 13.186 3.803 ( 7.213 3.751 -3.938) 9.034 4.392 ( -6.978 2.802 -2.882) 8.053 4.439 ( -12.805 14.351 3.526) 19.554 4.765 ( 6.169 -3.684 0.540) 7.205 5.580 ( -5.921 -9.096 -0.883) 10.889 6.768 ( -1.114 1.599 -2.914) 3.505 6.813 ( -1.119 -1.015 0.614) 1.631 6.981 ( -9.643 -6.745 3.229) 12.203 8.011 ( -8.776 -3.076 -23.672) 25.433 8.500 ( -3.982 8.861 22.709) 24.700 9.205 ( 2.964 -4.900 1.540) 5.930 ======================= Grid point 292 (139/227) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -12.902 -0.000 0.122) 12.903 1.190 ( -4.747 -0.000 1.977) 5.142 1.322 ( -12.651 -0.000 1.806) 12.779 1.971 ( -20.835 -0.000 -0.784) 20.850 2.035 ( -29.299 -0.000 6.388) 29.987 2.996 ( -3.043 -0.000 -4.860) 5.735 3.292 ( -4.139 -0.000 -2.020) 4.606 3.857 ( 6.994 0.000 -3.580) 7.857 4.387 ( -7.890 -0.000 -3.272) 8.541 4.668 ( 10.934 0.000 1.837) 11.087 4.921 ( -13.205 -0.000 2.384) 13.418 5.259 ( -23.496 -0.000 -0.335) 23.499 6.731 ( -2.886 -0.000 0.014) 2.886 6.795 ( -4.243 -0.000 -2.779) 5.072 6.927 ( -5.113 -0.000 3.945) 6.458 7.966 ( -7.121 -0.000 -20.040) 21.267 8.757 ( -1.113 -0.000 19.452) 19.484 9.024 ( -3.138 -0.000 1.320) 3.405 ======================= Grid point 293 (140/227) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -16.309 -5.774 5.852) 18.264 1.020 ( -22.168 10.374 6.701) 25.376 1.240 ( -0.069 -7.742 0.827) 7.787 1.665 ( -19.327 1.026 -1.767) 19.435 1.824 ( -25.689 -15.213 13.233) 32.656 2.865 ( -0.897 5.804 -10.462) 11.998 3.221 ( -4.341 -1.918 -6.946) 8.413 3.906 ( 7.344 2.275 -6.233) 9.897 4.280 ( -5.079 -1.815 -3.164) 6.253 4.508 ( -16.467 19.213 4.620) 25.723 4.833 ( 7.775 -2.273 0.444) 8.113 5.168 ( -20.126 -21.125 0.430) 29.181 6.713 ( -3.595 -0.653 -3.846) 5.305 6.740 ( -0.737 -3.780 -0.205) 3.857 6.893 ( -4.616 0.058 4.540) 6.475 7.657 ( -11.233 -1.765 -29.243) 31.375 8.795 ( 0.451 12.619 23.485) 26.665 9.160 ( 2.098 -10.530 9.358) 14.243 ======================= Grid point 303 (141/227) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -11.350 -0.000 14.482) 18.400 0.856 ( -24.802 -0.000 6.652) 25.679 1.101 ( -9.279 -0.000 1.319) 9.372 1.440 ( -15.706 -0.000 0.320) 15.710 1.452 ( -21.199 -0.000 22.367) 30.816 2.790 ( -0.611 -0.000 -16.024) 16.035 3.051 ( -7.626 -0.000 -15.625) 17.387 3.962 ( 6.390 0.000 -9.455) 11.412 4.202 ( -1.104 -0.000 0.086) 1.107 4.531 ( -16.789 -0.000 6.435) 17.980 4.650 ( -19.596 -0.000 2.750) 19.788 4.911 ( 5.795 0.000 -0.718) 5.840 6.618 ( -4.332 -0.000 -3.745) 5.726 6.722 ( 1.062 0.000 0.027) 1.063 6.869 ( -3.303 -0.000 3.256) 4.638 7.201 ( -20.537 -0.000 -25.969) 33.108 9.032 ( -0.628 -0.000 7.231) 7.258 9.325 ( 16.086 0.000 26.406) 30.920 ======================= Grid point 304 (142/227) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 1.473 0.000 5.493) 5.687 0.585 ( -2.429 -0.000 4.264) 4.907 1.438 ( 0.377 0.000 14.808) 14.813 1.522 ( 0.836 0.000 12.650) 12.678 2.139 ( 0.319 0.000 34.682) 34.684 2.157 ( -0.428 -0.000 -18.443) 18.448 2.220 ( 0.163 0.000 -21.262) 21.262 3.315 ( -0.052 -0.000 -27.657) 27.657 4.437 ( -0.153 -0.000 8.840) 8.841 4.521 ( 0.468 0.000 6.554) 6.571 4.586 ( -0.601 -0.000 3.999) 4.044 4.807 ( -0.027 -0.000 -9.186) 9.186 6.477 ( 0.471 0.000 0.480) 0.672 6.576 ( -0.469 -0.000 -3.446) 3.478 6.783 ( -0.488 -0.000 2.381) 2.430 6.867 ( 0.401 0.000 -1.057) 1.131 9.400 ( -0.177 -0.000 11.857) 11.858 9.749 ( 0.404 0.000 -5.986) 6.000 ======================= Grid point 305 (143/227) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 9.954 -8.980 4.136) 14.030 0.924 ( 16.791 -17.085 1.261) 23.988 1.585 ( 6.310 4.372 16.335) 18.049 1.640 ( -4.613 -5.289 16.695) 18.110 2.030 ( -2.586 -3.298 -17.843) 18.328 2.105 ( 7.983 -1.607 -22.657) 24.076 2.532 ( 9.499 -9.218 29.991) 32.782 3.172 ( 5.036 -5.155 -26.123) 27.099 4.445 ( -4.100 3.640 8.718) 10.298 4.573 ( -0.879 1.008 3.334) 3.592 4.663 ( -1.411 1.033 -7.785) 7.979 4.839 ( 13.533 -13.007 0.947) 18.794 6.536 ( 1.993 -2.020 -0.123) 2.841 6.628 ( 7.121 -5.731 -2.518) 9.482 6.794 ( -0.832 -0.505 2.405) 2.594 6.865 ( 0.754 -0.295 -2.069) 2.222 9.466 ( -1.724 1.266 10.398) 10.615 9.662 ( -2.292 2.847 -5.714) 6.783 ======================= Grid point 306 (144/227) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 13.305 -11.956 2.978) 18.134 1.322 ( 11.240 -11.731 0.651) 16.260 1.658 ( -3.298 1.625 7.296) 8.170 1.765 ( 1.699 1.361 10.382) 10.608 1.922 ( 0.121 -0.567 -10.190) 10.207 2.133 ( 5.967 -5.173 -11.147) 13.661 3.054 ( 13.980 -13.775 17.633) 26.384 3.224 ( 10.243 -10.482 -16.175) 21.827 4.379 ( -2.491 2.456 2.721) 4.432 4.538 ( -2.945 2.543 0.973) 4.011 4.568 ( -1.141 1.480 -3.881) 4.308 5.263 ( 13.324 -13.280 0.616) 18.822 6.573 ( 1.963 -0.066 -0.582) 2.048 6.831 ( 5.255 -4.959 2.070) 7.516 6.841 ( 4.788 -5.673 0.119) 7.425 6.876 ( 2.949 -2.903 -2.769) 4.979 9.457 ( -3.722 3.951 5.626) 7.817 9.544 ( -3.359 3.462 -3.830) 6.159 ======================= Grid point 307 (145/227) ======================= q-point: ( 0.30 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 13.707 -11.706 -0.378) 18.029 1.566 ( -4.403 0.191 -1.390) 4.621 1.576 ( 6.114 -3.564 -0.581) 7.101 1.807 ( 4.240 -1.900 -8.800) 9.951 1.909 ( -0.184 0.365 3.621) 3.644 2.200 ( 0.139 0.506 8.940) 8.955 3.375 ( 6.844 -7.008 -1.884) 9.975 3.495 ( 9.953 -10.136 -1.016) 14.242 4.434 ( -3.748 3.610 -0.884) 5.278 4.475 ( 7.071 -7.292 -5.061) 11.348 4.539 ( 1.337 -1.195 7.054) 7.279 5.453 ( -0.243 -0.337 0.508) 0.657 6.582 ( 1.093 1.325 0.332) 1.749 6.850 ( -1.199 -0.447 -0.111) 1.284 7.053 ( 7.081 -6.806 1.050) 9.878 7.116 ( 14.041 -13.606 0.229) 19.553 9.345 ( -4.065 5.046 -3.492) 7.361 9.402 ( -6.898 6.706 1.510) 9.738 ======================= Grid point 308 (146/227) ======================= q-point: ( 0.40 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -5.202 5.958 -3.862) 8.802 1.702 ( 2.650 -2.260 0.240) 3.491 1.759 ( 9.545 -8.734 -5.557) 14.081 1.798 ( 2.976 -2.768 -15.757) 16.273 1.954 ( 1.581 -0.982 10.167) 10.336 2.271 ( -1.374 2.405 18.755) 18.958 3.456 ( 0.831 -0.796 -0.767) 1.383 3.727 ( 8.734 -9.244 -5.360) 13.801 4.293 ( -5.266 4.536 -1.293) 7.069 4.483 ( -0.657 0.908 -0.031) 1.121 4.880 ( 13.258 -13.296 -3.161) 19.041 5.356 ( -6.648 5.805 7.131) 11.347 6.585 ( 1.333 0.892 0.917) 1.848 6.832 ( -1.746 -0.202 -0.179) 1.767 7.214 ( 3.817 -4.022 1.312) 5.698 7.543 ( 16.029 -15.439 -0.309) 22.258 9.144 ( -9.734 8.974 -1.646) 13.342 9.225 ( -4.042 5.613 -1.284) 7.035 ======================= Grid point 309 (147/227) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -5.162 5.635 0.942) 7.700 1.637 ( -5.744 4.497 -4.620) 8.635 1.779 ( 2.169 -0.663 -5.653) 6.091 1.812 ( -1.534 1.192 -1.801) 2.649 2.164 ( 8.967 -7.555 1.008) 11.768 2.379 ( -0.529 0.727 17.812) 17.835 3.471 ( 2.566 -2.857 -6.421) 7.481 3.845 ( 0.051 -0.310 -1.952) 1.977 4.182 ( -2.503 2.153 0.113) 3.303 4.477 ( 0.911 -0.352 -0.079) 0.980 4.937 ( -4.515 3.823 -5.975) 8.408 5.442 ( 6.415 -6.669 6.844) 11.510 6.617 ( 2.753 -0.929 -0.102) 2.908 6.812 ( -1.178 -0.226 0.057) 1.201 7.279 ( -0.248 -0.351 1.182) 1.258 7.860 ( 6.758 -6.644 -6.009) 11.221 8.873 ( -10.561 9.365 7.782) 16.118 9.146 ( 1.678 0.025 -3.680) 4.045 ======================= Grid point 310 (148/227) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -5.580 4.590 7.162) 10.173 1.431 ( -9.231 7.749 2.070) 12.229 1.712 ( -2.793 7.147 -0.967) 7.734 1.739 ( -3.439 1.429 -1.954) 4.206 2.347 ( 6.564 -7.356 -8.234) 12.846 2.477 ( -1.179 1.389 13.169) 13.294 3.512 ( 4.003 -4.674 -9.659) 11.453 3.673 ( -10.526 10.579 -2.404) 15.116 4.184 ( 1.693 -1.070 3.480) 4.015 4.490 ( -0.545 1.243 -0.307) 1.391 4.806 ( -2.508 1.701 -0.260) 3.041 5.606 ( 3.031 -3.075 -2.558) 5.018 6.663 ( 2.594 -0.904 -2.655) 3.820 6.815 ( 0.423 -0.644 0.823) 1.127 7.229 ( -5.522 4.272 2.508) 7.419 7.738 ( -8.187 7.859 -14.980) 18.793 8.815 ( -2.013 0.679 15.998) 16.138 9.220 ( 6.083 -4.192 -0.434) 7.401 ======================= Grid point 311 (149/227) ======================= q-point: (-0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -7.153 6.303 12.195) 15.479 1.246 ( -9.295 6.715 11.336) 16.124 1.546 ( -2.958 8.903 -1.237) 9.463 1.612 ( -7.475 4.924 -1.050) 9.012 2.425 ( 3.996 -6.157 -14.428) 16.187 2.472 ( -6.027 7.200 11.981) 15.222 3.253 ( -14.609 14.208 -7.913) 21.861 3.605 ( 5.128 -5.805 -8.221) 11.295 4.285 ( 3.059 -2.450 6.299) 7.419 4.398 ( -4.649 5.409 -0.108) 7.134 4.804 ( 1.511 -1.887 -3.349) 4.130 5.541 ( -6.478 6.373 -3.447) 9.719 6.661 ( 0.715 0.978 -3.314) 3.528 6.833 ( 0.909 1.286 0.323) 1.608 7.050 ( -10.632 7.269 3.487) 13.343 7.372 ( -8.174 8.193 -16.544) 20.191 8.966 ( 2.378 -3.149 15.691) 16.180 9.372 ( 5.264 -3.744 4.111) 7.656 ======================= Grid point 312 (150/227) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -9.609 10.314 11.453) 18.163 1.182 ( -8.283 3.883 18.307) 20.466 1.380 ( -6.185 11.059 -0.952) 12.707 1.415 ( -3.999 3.803 2.502) 6.059 2.285 ( -15.916 15.359 21.981) 31.183 2.413 ( 3.428 -2.440 -17.733) 18.226 2.806 ( -11.091 9.619 -18.459) 23.586 3.666 ( 2.617 -3.237 -12.026) 12.726 4.275 ( -2.542 2.441 1.181) 3.717 4.405 ( 2.215 -1.596 7.305) 7.799 4.811 ( 1.693 -1.553 -7.444) 7.791 5.214 ( -16.335 15.947 2.347) 22.949 6.613 ( -0.434 2.841 -2.637) 3.900 6.789 ( -1.022 4.287 0.599) 4.448 6.887 ( -6.365 1.137 0.056) 6.466 7.048 ( -7.469 8.287 -11.517) 16.034 9.160 ( 3.131 -2.809 12.640) 13.321 9.532 ( 4.899 -4.685 5.976) 9.037 ======================= Grid point 313 (151/227) ======================= q-point: (-0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -9.549 10.602 6.791) 15.802 0.896 ( -19.489 17.938 4.943) 26.945 1.345 ( -6.158 -5.676 12.621) 15.146 1.415 ( 6.999 6.762 11.076) 14.744 2.055 ( -13.536 12.453 30.999) 36.045 2.320 ( 2.708 2.173 -19.039) 19.353 2.436 ( -7.478 2.670 -21.679) 23.087 3.540 ( -1.705 1.447 -22.666) 22.776 4.327 ( 2.758 -2.750 7.013) 8.022 4.491 ( 0.120 -0.562 6.929) 6.953 4.723 ( -8.995 10.003 1.223) 13.508 4.864 ( -3.682 2.852 -4.246) 6.303 6.535 ( -0.958 4.579 -1.693) 4.975 6.690 ( -7.637 4.014 -4.076) 9.542 6.778 ( -0.945 1.412 1.214) 2.088 6.882 ( -1.028 1.324 -1.286) 2.112 9.301 ( 1.106 -0.678 11.773) 11.844 9.703 ( 4.966 -5.103 -0.628) 7.148 ======================= Grid point 315 (152/227) ======================= q-point: ( 0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 21.464 0.000 -0.778) 21.478 1.035 ( 20.073 0.000 2.194) 20.192 1.658 ( -4.940 -0.000 19.668) 20.279 1.781 ( -3.204 -0.000 -20.585) 20.833 1.939 ( 14.105 0.000 19.401) 23.987 2.098 ( 14.716 0.000 -21.202) 25.809 2.838 ( 11.847 0.000 26.828) 29.327 3.029 ( 9.272 0.000 -25.759) 27.377 4.465 ( -5.782 -0.000 9.164) 10.836 4.536 ( -5.402 -0.000 -8.834) 10.355 4.829 ( 12.699 0.000 -1.737) 12.817 4.830 ( 13.517 0.000 3.149) 13.879 6.639 ( 8.507 0.000 3.704) 9.278 6.653 ( 8.733 0.000 -4.716) 9.925 6.805 ( 0.029 0.000 3.629) 3.629 6.850 ( 0.547 0.000 -3.407) 3.450 9.518 ( -2.985 -0.000 8.777) 9.270 9.589 ( -3.502 -0.000 -7.106) 7.922 ======================= Grid point 316 (153/227) ======================= q-point: ( 0.20 0.10 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 14.582 -2.199 -0.347) 14.751 1.333 ( 7.550 -7.408 0.465) 10.587 1.592 ( 2.792 1.248 -14.628) 14.944 1.813 ( 0.223 -4.190 13.625) 14.257 2.056 ( 16.323 13.962 -8.240) 23.006 2.331 ( 16.855 2.247 10.053) 19.754 3.067 ( 13.310 -9.957 -18.450) 24.833 3.230 ( 9.311 -8.377 16.150) 20.437 4.372 ( -2.363 1.423 -4.358) 5.158 4.495 ( -5.053 -3.251 5.626) 8.231 4.770 ( 11.834 17.777 -0.816) 21.371 5.248 ( 11.891 -14.261 -0.226) 18.570 6.682 ( 7.379 5.104 -1.274) 9.062 6.834 ( -0.035 -0.860 -1.518) 1.745 6.868 ( 10.227 -5.827 1.252) 11.837 6.888 ( 7.136 -3.656 2.781) 8.487 9.460 ( -3.841 2.885 -5.996) 7.683 9.514 ( -4.613 1.520 3.755) 6.139 ======================= Grid point 317 (154/227) ======================= q-point: ( 0.30 0.10 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -6.133 -9.345 -7.419) 13.416 1.498 ( 0.784 -8.348 2.567) 8.769 1.646 ( 17.784 0.940 -9.972) 20.411 1.972 ( 14.665 9.805 -8.707) 19.673 2.009 ( 8.915 8.023 11.523) 16.632 2.504 ( 10.869 11.597 13.818) 21.061 3.334 ( 12.385 -13.184 -6.303) 19.156 3.468 ( 2.151 -4.912 0.321) 5.372 4.392 ( 0.879 -6.960 -4.996) 8.613 4.572 ( 2.531 -6.133 9.118) 11.277 4.659 ( 11.696 19.611 -1.841) 22.908 5.439 ( -0.427 -1.668 1.342) 2.183 6.689 ( 5.537 5.615 -0.453) 7.899 6.824 ( -0.671 -0.246 -1.068) 1.285 7.091 ( 7.909 -4.600 2.722) 9.546 7.177 ( 17.680 -10.653 2.300) 20.770 9.304 ( -4.363 4.147 -7.529) 9.639 9.411 ( -6.725 5.507 1.826) 8.882 ======================= Grid point 318 (155/227) ======================= q-point: ( 0.40 0.10 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -4.556 -6.123 -5.344) 9.317 1.587 ( -6.189 -6.712 3.209) 9.677 1.777 ( 8.265 -0.555 -8.988) 12.223 1.878 ( 16.281 16.145 -8.854) 24.579 2.216 ( 15.708 4.834 9.892) 19.182 2.562 ( 6.845 12.304 14.548) 20.246 3.439 ( -1.102 0.082 -3.082) 3.274 3.662 ( 9.083 -11.829 -3.811) 15.393 4.415 ( -3.277 -3.193 -0.751) 4.637 4.519 ( 10.320 18.682 -1.440) 21.391 4.849 ( 9.220 -9.336 -2.667) 13.389 5.389 ( -5.507 2.872 7.860) 10.018 6.682 ( 4.939 5.138 -0.077) 7.127 6.810 ( -0.739 0.150 0.148) 0.768 7.242 ( 4.475 -1.945 2.351) 5.417 7.612 ( 19.139 -10.871 0.891) 22.029 9.117 ( -6.842 6.550 -2.955) 9.922 9.229 ( -5.592 6.217 -2.381) 8.694 ======================= Grid point 319 (156/227) ======================= q-point: (-0.50 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -3.091 0.324 -1.330) 3.381 1.561 ( -5.548 0.341 1.245) 5.697 1.722 ( -1.500 5.694 1.789) 6.154 1.902 ( 13.734 5.814 -9.182) 17.514 2.391 ( 16.065 10.036 0.998) 18.969 2.597 ( 4.821 7.927 12.993) 15.965 3.408 ( 0.900 -2.427 -7.168) 7.621 3.818 ( -0.317 -1.505 -0.591) 1.648 4.413 ( -3.708 -4.738 -0.419) 6.031 4.433 ( 15.305 17.310 0.174) 23.107 4.899 ( -2.158 2.900 -3.516) 5.043 5.445 ( 1.267 -6.143 4.523) 7.733 6.690 ( 5.241 3.212 -1.043) 6.234 6.808 ( 0.382 0.195 1.026) 1.112 7.297 ( 0.617 1.301 1.750) 2.267 7.889 ( 8.268 0.792 -5.096) 9.745 8.925 ( -6.374 6.710 7.580) 11.963 9.128 ( 1.201 -1.017 -4.775) 5.028 ======================= Grid point 320 (157/227) ======================= q-point: (-0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -6.934 2.235 1.244) 7.391 1.490 ( -0.415 8.215 7.462) 11.106 1.638 ( -4.533 5.244 5.901) 9.103 1.903 ( 9.346 8.808 -6.966) 14.610 2.384 ( 8.178 9.661 -6.297) 14.137 2.670 ( 7.833 6.617 5.943) 11.851 3.431 ( 2.788 -4.641 -6.829) 8.715 3.655 ( -11.142 10.757 -1.515) 15.561 4.411 ( 1.007 2.099 -0.136) 2.332 4.491 ( 14.046 7.512 1.856) 16.036 4.789 ( -4.356 3.296 1.220) 5.597 5.544 ( 0.382 -4.566 -3.953) 6.052 6.711 ( 4.754 2.469 -2.410) 5.874 6.834 ( 1.859 -0.215 1.408) 2.342 7.245 ( -4.024 5.448 2.278) 7.146 7.698 ( -6.315 14.682 -12.100) 20.046 8.935 ( 2.145 0.699 12.504) 12.705 9.215 ( 4.875 -6.892 -0.427) 8.453 ======================= Grid point 321 (158/227) ======================= q-point: (-0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -8.638 -0.242 8.110) 11.851 1.403 ( 0.366 14.729 7.797) 16.669 1.547 ( -4.599 6.500 7.412) 10.878 1.817 ( 8.365 15.836 -0.881) 17.931 2.309 ( 4.605 2.809 -12.773) 13.866 2.681 ( 5.759 10.560 2.313) 12.249 3.225 ( -15.161 17.743 -3.038) 23.535 3.530 ( 3.182 -5.762 -5.812) 8.781 4.344 ( -6.084 2.145 -0.224) 6.455 4.603 ( 18.448 12.651 4.171) 22.755 4.722 ( -3.072 -2.685 -4.543) 6.106 5.493 ( -6.338 3.556 -2.820) 7.795 6.711 ( 3.915 3.599 -2.263) 5.779 6.867 ( 1.377 0.601 0.943) 1.774 7.059 ( -9.310 11.137 3.737) 14.989 7.307 ( -5.137 11.939 -15.046) 19.883 9.092 ( 5.018 -1.836 11.769) 12.925 9.381 ( 2.974 -6.698 3.151) 7.977 ======================= Grid point 322 (159/227) ======================= q-point: (-0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -3.004 0.583 16.252) 16.537 1.223 ( -0.372 14.548 2.941) 14.847 1.375 ( -8.784 13.548 3.551) 16.532 1.746 ( 9.294 15.979 8.899) 20.516 2.245 ( 4.356 -0.300 -16.575) 17.141 2.562 ( -5.402 16.994 14.682) 23.098 2.736 ( -8.224 17.646 -13.820) 23.875 3.553 ( -0.324 -1.676 -12.316) 12.434 4.260 ( -2.653 -0.973 2.646) 3.872 4.666 ( 6.798 5.153 -3.059) 9.062 4.733 ( 9.516 3.779 -1.160) 10.305 5.211 ( -16.426 13.769 2.378) 21.565 6.687 ( 3.920 5.324 -2.024) 6.914 6.837 ( -5.522 7.145 1.403) 9.139 6.857 ( -0.451 3.313 0.891) 3.461 7.010 ( -3.648 8.397 -11.552) 14.740 9.264 ( 3.126 -1.985 10.348) 10.991 9.524 ( 1.484 -6.687 3.305) 7.605 ======================= Grid point 323 (160/227) ======================= q-point: (-0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -4.083 23.041 3.486) 23.658 1.022 ( 1.074 21.500 3.628) 21.830 1.322 ( 0.819 -6.833 16.604) 17.974 1.714 ( 0.416 12.460 12.712) 17.805 2.156 ( 0.781 -2.555 -23.156) 23.310 2.318 ( 0.352 16.250 -2.357) 16.424 2.441 ( -0.116 14.071 12.446) 18.786 3.389 ( 0.050 3.955 -21.939) 22.293 4.343 ( -0.007 -5.136 7.513) 9.100 4.651 ( 0.495 0.800 -4.444) 4.543 4.801 ( 8.054 12.821 3.135) 15.462 4.806 ( -8.723 8.621 -0.004) 12.264 6.648 ( 4.034 5.700 -2.180) 7.315 6.653 ( -3.912 9.289 -2.883) 10.483 6.804 ( -0.518 2.263 1.509) 2.769 6.880 ( 0.214 1.271 -2.791) 3.074 9.382 ( -0.163 -1.392 10.524) 10.617 9.641 ( 0.363 -6.341 -1.566) 6.542 ======================= Grid point 326 (161/227) ======================= q-point: ( 0.20 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -5.831 -0.000 -8.626) 10.412 1.367 ( -0.085 -0.000 6.115) 6.116 1.653 ( 17.629 0.000 -14.195) 22.633 1.998 ( 11.687 0.000 11.849) 16.643 2.372 ( 21.012 0.000 -8.942) 22.836 2.703 ( 17.139 0.000 15.743) 23.272 3.037 ( 15.398 0.000 -16.705) 22.720 3.367 ( 2.456 0.000 12.030) 12.278 4.283 ( -1.907 -0.000 -6.823) 7.084 4.492 ( -2.300 -0.000 10.263) 10.517 5.167 ( 11.261 0.000 -3.169) 11.698 5.223 ( 12.373 0.000 1.083) 12.421 6.800 ( 5.875 0.000 -2.949) 6.574 6.820 ( 2.423 0.000 -3.692) 4.416 7.003 ( 10.400 0.000 3.232) 10.891 7.019 ( 13.111 0.000 6.683) 14.716 9.367 ( -3.972 -0.000 -8.260) 9.165 9.485 ( -5.471 -0.000 1.954) 5.810 ======================= Grid point 327 (162/227) ======================= q-point: ( 0.30 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -4.932 -6.163 -6.397) 10.160 1.411 ( -5.039 -4.155 7.168) 9.697 1.779 ( 14.980 0.220 -13.431) 20.121 2.234 ( 15.950 2.992 1.555) 16.302 2.488 ( 19.935 15.940 2.033) 25.605 2.906 ( 11.792 9.370 7.202) 16.695 3.290 ( 14.935 -12.543 -4.205) 19.952 3.432 ( -3.311 -1.199 2.961) 4.601 4.288 ( 1.831 -4.319 -2.119) 5.147 4.568 ( -0.464 -5.509 6.209) 8.314 5.109 ( 12.370 16.976 -2.854) 21.197 5.435 ( 3.114 -1.709 2.907) 4.590 6.823 ( 4.199 3.158 -1.592) 5.489 6.834 ( 3.583 1.918 -1.934) 4.501 7.190 ( 10.018 -1.434 2.469) 10.417 7.327 ( 17.883 -7.892 5.661) 20.350 9.237 ( -3.904 2.501 -6.960) 8.363 9.380 ( -6.894 3.219 -1.650) 7.785 ======================= Grid point 328 (163/227) ======================= q-point: ( 0.40 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -4.338 -8.608 -1.675) 9.784 1.444 ( -6.584 -5.598 4.692) 9.833 1.835 ( 9.407 2.893 -10.577) 14.448 2.310 ( 16.922 14.698 -5.116) 22.990 2.629 ( 19.227 9.573 8.941) 23.265 2.939 ( 9.253 13.549 5.577) 17.329 3.375 ( -3.464 -0.459 -3.895) 5.233 3.617 ( 8.556 -11.001 1.518) 14.019 4.320 ( -3.160 -1.308 0.076) 3.421 4.724 ( 4.330 -7.887 0.401) 9.007 5.024 ( 10.208 14.227 -5.010) 18.213 5.447 ( 1.426 6.334 6.917) 9.487 6.814 ( 3.480 4.542 -0.199) 5.726 6.837 ( 2.928 2.416 -0.502) 3.829 7.322 ( 6.070 0.873 2.058) 6.469 7.749 ( 18.211 -9.451 3.013) 20.737 9.099 ( -4.200 4.553 -1.927) 6.487 9.196 ( -6.547 4.940 -5.025) 9.619 ======================= Grid point 329 (164/227) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -7.642 -5.603 -0.359) 9.483 1.462 ( -5.273 -6.177 1.120) 8.199 1.816 ( 4.634 6.644 -0.981) 8.160 2.291 ( 16.490 16.736 -2.061) 23.585 2.802 ( 18.381 12.623 1.487) 22.347 2.882 ( 6.582 12.718 3.178) 14.669 3.327 ( -1.307 -2.384 -3.635) 4.540 3.790 ( -0.612 -1.813 0.684) 2.032 4.281 ( -4.362 -4.351 -0.852) 6.220 4.846 ( 8.090 8.127 -0.263) 11.471 4.920 ( 1.419 3.956 -0.790) 4.276 5.465 ( 6.711 4.031 1.595) 7.989 6.801 ( 3.838 4.155 -0.212) 5.660 6.848 ( 2.854 1.494 0.321) 3.238 7.362 ( 2.444 3.655 1.260) 4.574 7.994 ( 5.610 3.559 -2.149) 6.983 8.988 ( -2.902 3.071 6.544) 7.789 9.082 ( 0.857 -1.272 -5.770) 5.970 ======================= Grid point 330 (165/227) ======================= q-point: (-0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -8.985 -2.401 0.076) 9.300 1.480 ( -4.674 -6.170 -1.889) 7.968 1.779 ( 1.396 9.494 9.072) 13.205 2.271 ( 14.127 16.908 1.447) 22.081 2.691 ( 10.838 20.807 -7.547) 24.644 2.929 ( 11.408 8.247 0.407) 14.083 3.358 ( 0.513 -4.923 -1.130) 5.077 3.638 ( -10.705 9.564 -1.396) 14.422 4.322 ( -0.684 -4.515 -1.746) 4.889 4.700 ( -7.494 4.707 -0.929) 8.899 4.995 ( 13.455 8.820 4.648) 16.746 5.507 ( 6.066 2.034 -4.982) 8.109 6.802 ( 4.180 3.500 -0.474) 5.472 6.878 ( 2.952 0.659 0.701) 3.105 7.307 ( -1.106 7.138 1.209) 7.324 7.757 ( -7.872 18.001 -7.628) 21.076 9.060 ( 3.980 -0.767 8.049) 9.012 9.164 ( 3.522 -8.415 0.035) 9.122 ======================= Grid point 331 (166/227) ======================= q-point: (-0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -4.934 -3.674 4.825) 7.818 1.465 ( -3.730 -3.370 -4.250) 6.583 1.709 ( -1.615 12.973 12.267) 17.927 2.208 ( 6.233 16.929 3.411) 18.360 2.512 ( 14.367 19.435 -9.942) 26.134 2.922 ( 6.601 10.927 -0.693) 12.785 3.271 ( -11.892 16.842 0.884) 20.636 3.443 ( 0.092 -5.233 -3.654) 6.383 4.283 ( -3.908 2.487 -1.726) 4.943 4.581 ( -4.897 -3.270 -4.571) 7.455 5.089 ( 15.720 11.078 3.386) 19.527 5.459 ( -2.626 5.971 -3.179) 7.257 6.804 ( 3.394 3.768 -0.410) 5.088 6.907 ( 1.557 1.416 1.468) 2.566 7.152 ( -4.483 11.825 2.791) 12.950 7.328 ( -5.438 16.811 -11.486) 21.074 9.197 ( 3.787 -2.800 6.731) 8.214 9.333 ( 1.658 -7.843 3.034) 8.572 ======================= Grid point 332 (167/227) ======================= q-point: (-0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 1.604 -6.476 9.543) 11.644 1.407 ( -0.840 3.406 -3.215) 4.758 1.561 ( -2.481 17.289 11.635) 20.987 2.042 ( 0.453 12.519 -2.085) 12.700 2.341 ( 1.215 17.636 -5.898) 18.636 2.790 ( 0.491 13.843 -10.777) 17.550 2.917 ( -0.207 21.254 14.123) 25.520 3.440 ( 0.024 -1.213 -10.269) 10.341 4.239 ( 0.158 -1.287 3.347) 3.590 4.550 ( 0.064 -3.952 -9.542) 10.328 5.152 ( -1.112 9.651 3.336) 10.272 5.206 ( 0.909 15.460 0.069) 15.487 6.772 ( -0.844 4.113 0.373) 4.215 6.897 ( 0.167 3.957 3.145) 5.057 6.969 ( 0.281 10.307 0.821) 10.343 7.011 ( -0.023 11.968 -11.662) 16.710 9.319 ( -0.206 -3.302 7.324) 8.036 9.462 ( 0.425 -6.681 1.299) 6.819 ======================= Grid point 333 (168/227) ======================= q-point: (-0.10 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -1.182 18.040 2.439) 18.242 1.329 ( 6.629 4.423 3.738) 8.802 1.453 ( 3.242 3.889 16.005) 16.787 1.892 ( -3.304 7.479 2.036) 8.426 2.007 ( -6.891 7.814 -10.258) 14.621 2.428 ( -3.192 15.421 -16.895) 23.097 2.923 ( 13.185 16.913 20.756) 29.844 3.348 ( 5.546 5.430 -15.322) 17.175 4.327 ( 0.422 -2.819 5.617) 6.299 4.552 ( 2.124 -4.743 -9.063) 10.448 4.757 ( -17.543 11.863 2.124) 21.284 5.238 ( 15.003 12.517 1.368) 19.587 6.653 ( -5.053 5.525 -1.148) 7.575 6.843 ( 4.145 8.054 -0.748) 9.089 6.868 ( 2.651 5.208 0.342) 5.854 6.900 ( 3.683 4.863 -2.977) 6.788 9.398 ( -2.907 -3.576 7.798) 9.058 9.539 ( -1.350 -5.635 -2.203) 6.199 ======================= Grid point 337 (169/227) ======================= q-point: ( 0.30 0.30 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -2.062 -0.000 -2.131) 2.965 1.358 ( -6.946 -0.000 7.500) 10.222 1.877 ( 14.009 0.000 -13.722) 19.610 2.482 ( 15.420 0.000 -0.489) 15.428 2.907 ( 17.526 0.000 7.352) 19.005 3.100 ( 10.829 0.000 -6.230) 12.494 3.382 ( -5.411 -0.000 2.945) 6.160 3.400 ( 11.252 0.000 3.122) 11.677 4.350 ( 8.922 0.000 4.435) 9.963 4.500 ( -5.940 -0.000 0.662) 5.977 5.239 ( -0.473 -0.000 -6.017) 6.035 5.590 ( 9.763 0.000 6.911) 11.962 6.886 ( 4.557 0.000 -1.417) 4.772 6.897 ( 3.596 0.000 -1.767) 4.006 7.350 ( 13.118 0.000 -2.840) 13.422 7.550 ( 15.730 0.000 10.156) 18.724 9.164 ( -3.150 -0.000 -4.154) 5.213 9.278 ( -7.668 -0.000 -5.132) 9.227 ======================= Grid point 338 (170/227) ======================= q-point: ( 0.40 0.30 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -1.682 -3.999 -0.307) 4.349 1.324 ( -7.771 -2.826 4.671) 9.498 1.957 ( 13.016 2.949 -8.404) 15.771 2.613 ( 10.399 5.510 -1.627) 11.881 3.067 ( 13.519 9.914 5.329) 17.591 3.209 ( 11.272 3.646 -4.491) 12.670 3.321 ( -2.034 2.916 2.232) 4.198 3.611 ( 6.469 -8.166 3.824) 11.098 4.306 ( -5.582 6.323 -1.535) 8.572 4.650 ( 4.597 -12.303 5.013) 14.058 5.135 ( -0.689 5.473 -6.918) 8.848 5.701 ( 6.898 6.868 5.953) 11.410 6.908 ( 3.156 2.707 -0.355) 4.173 6.916 ( 3.179 2.658 -0.621) 4.189 7.464 ( 10.402 3.712 -2.823) 11.399 7.893 ( 13.950 -6.909 7.840) 17.430 9.088 ( -5.477 2.858 -0.604) 6.207 9.110 ( -4.330 1.529 -6.780) 8.189 ======================= Grid point 339 (171/227) ======================= q-point: ( 0.50 0.30 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -4.077 -2.758 -1.260) 5.081 1.294 ( -6.803 -5.501 -0.935) 8.799 2.024 ( 10.032 7.600 2.754) 12.884 2.630 ( 7.023 7.764 1.523) 10.580 3.097 ( 8.683 6.927 -9.490) 14.609 3.244 ( 13.547 13.372 1.931) 19.133 3.298 ( -0.099 2.273 5.353) 5.816 3.753 ( -2.300 -0.978 -0.764) 2.614 4.184 ( -1.927 -2.527 -0.684) 3.251 4.802 ( -9.353 -5.105 -1.319) 10.737 5.055 ( 8.756 5.088 2.045) 10.331 5.708 ( 6.682 7.939 -0.529) 10.390 6.909 ( 3.190 3.734 -0.223) 4.916 6.916 ( 3.026 2.184 0.805) 3.818 7.498 ( 7.626 7.121 -1.141) 10.496 8.088 ( 0.293 3.896 2.197) 4.483 8.972 ( -1.198 -2.676 -2.234) 3.687 9.073 ( 0.250 0.215 0.924) 0.981 ======================= Grid point 340 (172/227) ======================= q-point: (-0.40 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -3.807 -1.356 -0.099) 4.042 1.278 ( -4.385 -7.572 -6.604) 10.963 2.048 ( 3.971 11.676 12.106) 17.281 2.615 ( 5.173 11.099 2.986) 12.605 3.009 ( 9.638 10.413 -12.154) 18.682 3.227 ( 8.966 13.715 0.690) 16.401 3.318 ( -1.071 0.119 4.637) 4.761 3.586 ( -8.705 5.799 -4.091) 11.231 4.292 ( 5.993 -4.296 -0.147) 7.375 4.597 ( -12.786 4.029 -3.687) 13.903 5.186 ( 5.147 -0.068 7.739) 9.294 5.664 ( 5.971 7.289 -6.999) 11.737 6.903 ( 2.904 3.259 -0.228) 4.371 6.941 ( 2.524 1.412 1.503) 3.259 7.461 ( 5.653 11.514 0.825) 12.853 7.833 ( -10.290 16.758 -4.020) 20.071 9.095 ( 3.352 -8.626 0.980) 9.306 9.119 ( 1.375 -3.069 3.723) 5.017 ======================= Grid point 341 (173/227) ======================= q-point: (-0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 1.200 -4.000 4.099) 5.851 1.288 ( -0.622 -7.845 -9.217) 12.120 1.990 ( -0.859 14.385 14.755) 20.625 2.463 ( 0.423 15.799 -3.501) 16.188 2.867 ( 0.037 17.069 -2.270) 17.219 3.121 ( 0.461 10.518 -1.577) 10.646 3.347 ( 0.158 -3.009 -0.634) 3.079 3.378 ( -0.176 10.447 -1.803) 10.603 4.325 ( 0.279 7.310 -1.291) 7.428 4.452 ( 0.157 -4.045 -2.861) 4.957 5.275 ( -0.335 0.618 6.513) 6.551 5.545 ( 0.033 9.005 -7.257) 11.565 6.881 ( -0.231 3.705 0.773) 3.792 6.951 ( -0.030 1.057 -0.172) 1.071 7.336 ( -0.497 15.609 3.448) 15.993 7.448 ( 0.378 17.957 -6.792) 19.203 9.205 ( -0.156 -4.908 3.376) 5.959 9.261 ( 0.324 -8.115 1.959) 8.354 ======================= Grid point 342 (174/227) ======================= q-point: (-0.20 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 6.616 -7.128 8.027) 12.610 1.342 ( 4.119 -6.526 -8.778) 11.688 1.865 ( -1.862 16.450 13.879) 21.604 2.191 ( -0.294 15.805 -9.343) 18.362 2.485 ( -18.452 20.649 6.244) 28.387 2.818 ( -11.249 12.659 -12.430) 21.007 3.333 ( 11.369 11.094 4.388) 16.480 3.408 ( 5.273 -0.371 -0.851) 5.354 4.305 ( 3.908 0.046 3.723) 5.398 4.490 ( 6.912 1.628 -7.066) 10.018 5.123 ( -16.723 12.827 2.073) 21.178 5.421 ( 2.303 1.850 -1.805) 3.462 6.788 ( -5.735 4.553 0.427) 7.335 6.909 ( -1.653 1.468 -1.446) 2.641 7.144 ( 1.942 10.478 -1.856) 10.816 7.261 ( 9.979 19.970 0.132) 22.325 9.279 ( -3.264 -4.972 4.696) 7.578 9.359 ( -2.385 -7.721 -0.826) 8.123 ======================= Grid point 343 (175/227) ======================= q-point: (-0.10 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 8.860 -2.915 1.986) 9.536 1.459 ( 8.742 -4.306 1.082) 9.804 1.681 ( -4.822 18.982 9.013) 21.559 1.920 ( 0.876 8.070 -11.391) 13.988 2.019 ( -14.706 14.323 5.955) 21.375 2.409 ( -11.661 10.953 -7.716) 17.762 3.368 ( 7.300 6.349 1.628) 9.810 3.475 ( 11.266 8.008 0.884) 13.851 4.433 ( 5.910 -0.640 6.447) 8.769 4.492 ( 7.441 3.496 -8.319) 11.696 4.679 ( -18.367 12.222 0.790) 22.075 5.442 ( 1.440 -0.514 -0.324) 1.563 6.638 ( -5.595 4.027 -0.179) 6.895 6.870 ( -0.748 0.763 -0.428) 1.151 7.067 ( 5.866 8.193 -1.006) 10.127 7.154 ( 11.362 17.403 0.679) 20.795 9.327 ( -4.375 -5.214 3.547) 7.675 9.397 ( -5.067 -7.263 -2.194) 9.124 ======================= Grid point 348 (176/227) ======================= q-point: ( 0.40 0.40 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 0.464 0.000 -2.518) 2.560 1.220 ( -8.736 -0.000 2.328) 9.041 2.139 ( 15.379 0.000 -1.242) 15.429 2.711 ( -0.164 -0.000 1.502) 1.511 3.217 ( 8.248 0.000 -12.512) 14.986 3.324 ( 0.634 0.000 8.110) 8.135 3.510 ( 14.439 0.000 2.232) 14.610 3.641 ( 3.338 0.000 5.097) 6.093 4.227 ( -6.772 -0.000 -7.158) 9.854 4.617 ( -5.878 -0.000 7.072) 9.196 5.187 ( 10.889 0.000 -5.251) 12.089 5.811 ( -2.495 -0.000 4.395) 5.054 6.951 ( 1.892 0.000 -0.451) 1.945 6.975 ( 1.861 0.000 0.456) 1.916 7.637 ( 14.424 0.000 -5.899) 15.583 8.068 ( 7.034 0.000 10.372) 12.532 8.966 ( -5.120 -0.000 -8.236) 9.698 9.077 ( -2.929 -0.000 1.568) 3.322 ======================= Grid point 349 (177/227) ======================= q-point: ( 0.50 0.40 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 1.334 0.154 -3.505) 3.753 1.125 ( -7.430 -3.058 -2.519) 8.421 2.320 ( 11.860 7.108 8.274) 16.114 2.711 ( -3.259 -2.291 6.339) 7.487 3.178 ( 6.410 5.533 -14.180) 16.516 3.362 ( -0.015 0.223 0.065) 0.232 3.589 ( 7.414 9.013 3.661) 12.231 3.710 ( -2.772 2.540 -0.128) 3.762 4.162 ( 5.166 -1.958 -0.639) 5.562 4.550 ( -13.077 -6.177 -0.958) 14.494 5.311 ( 13.060 6.874 2.151) 14.915 5.754 ( -5.805 -0.315 -0.738) 5.860 6.964 ( 1.665 1.156 -0.063) 2.028 6.985 ( 0.738 1.221 0.746) 1.610 7.749 ( 14.197 7.818 -1.950) 16.324 8.121 ( -7.278 3.700 3.188) 8.764 8.916 ( 3.439 -3.136 -3.061) 5.570 9.052 ( -3.493 -1.698 1.455) 4.148 ======================= Grid point 350 (178/227) ======================= q-point: (-0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.213 0.297 -0.292) 0.468 1.092 ( -0.173 -5.788 -7.451) 9.437 2.348 ( -0.253 11.813 14.582) 18.768 2.776 ( 0.260 3.054 5.958) 6.700 3.053 ( -0.162 2.759 -11.671) 11.994 3.308 ( 0.251 1.570 -6.936) 7.116 3.536 ( -0.929 13.527 1.887) 13.689 3.571 ( 0.776 6.875 0.318) 6.926 4.313 ( -0.171 -5.325 3.565) 6.411 4.456 ( 0.425 -1.525 -6.285) 6.482 5.344 ( -0.085 6.901 9.232) 11.526 5.686 ( 0.018 0.892 -7.584) 7.636 6.962 ( 0.493 2.077 0.481) 2.188 6.977 ( -0.463 0.923 0.344) 1.089 7.753 ( -0.563 13.600 4.014) 14.191 7.882 ( 0.348 11.883 -4.923) 12.867 9.045 ( 0.854 -6.665 2.132) 7.049 9.063 ( -0.775 -5.116 -0.166) 5.176 ======================= Grid point 351 (179/227) ======================= q-point: (-0.30 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 3.165 -5.398 2.201) 6.634 1.158 ( 6.480 -5.170 -7.204) 10.982 2.249 ( -6.390 11.620 15.056) 20.063 2.609 ( -2.226 13.669 -8.187) 16.088 2.886 ( -13.164 4.676 -0.393) 13.975 3.202 ( -11.837 17.803 -3.794) 21.713 3.387 ( 8.337 -1.277 3.045) 8.967 3.528 ( 6.052 5.608 -3.189) 8.845 4.288 ( -5.242 -2.415 -0.172) 5.775 4.571 ( 14.069 1.882 -1.457) 14.269 5.303 ( -6.993 0.815 8.356) 10.927 5.549 ( -4.045 8.844 -7.897) 12.528 6.901 ( -4.051 3.440 -0.303) 5.323 6.953 ( -1.605 1.794 0.844) 2.551 7.450 ( -8.941 11.472 -0.583) 14.556 7.815 ( 14.234 18.329 0.176) 23.207 9.097 ( -5.801 -9.274 -0.358) 10.944 9.165 ( -0.466 -4.827 1.836) 5.185 ======================= Grid point 352 (180/227) ======================= q-point: (-0.20 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 7.773 -10.701 2.314) 13.427 1.290 ( 9.058 -4.275 -3.961) 10.771 2.097 ( -7.662 9.285 9.153) 15.123 2.321 ( -1.263 15.101 -7.161) 16.761 2.547 ( -20.893 21.413 9.076) 31.264 2.677 ( -16.728 11.324 -11.773) 23.381 3.472 ( 2.425 3.734 1.421) 4.673 3.616 ( 13.232 1.062 -0.066) 13.275 4.305 ( 1.020 -4.401 0.041) 4.518 4.695 ( 10.496 5.537 -0.340) 11.871 5.146 ( -11.517 19.074 3.079) 22.493 5.321 ( -7.920 -5.551 -3.193) 10.184 6.765 ( -6.239 5.029 -0.235) 8.017 6.899 ( -2.631 1.561 0.288) 3.073 7.271 ( 0.362 6.680 -0.382) 6.700 7.726 ( 12.932 21.957 0.471) 25.487 9.136 ( -8.511 -10.783 -0.079) 13.738 9.206 ( -3.175 -4.193 0.465) 5.280 ======================= Grid point 353 (181/227) ======================= q-point: (-0.10 0.40 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 4.660 -5.712 -7.103) 10.237 1.502 ( 8.109 -9.677 6.733) 14.308 1.937 ( -8.812 12.845 1.595) 15.659 1.951 ( -5.932 15.803 -7.130) 18.324 2.083 ( -2.461 13.659 0.157) 13.880 2.336 ( -14.672 7.472 6.871) 17.841 3.461 ( 1.837 2.282 -0.247) 2.940 3.730 ( 10.168 5.427 -1.773) 11.661 4.413 ( 2.979 -5.570 -0.143) 6.318 4.532 ( -17.728 9.552 0.081) 20.137 4.895 ( 15.050 16.509 -1.721) 22.406 5.318 ( -7.925 -8.334 2.609) 11.793 6.624 ( -4.305 4.017 0.824) 5.945 6.859 ( -1.648 0.342 -0.162) 1.690 7.223 ( 3.154 5.178 0.545) 6.087 7.601 ( 12.927 20.738 -0.478) 24.442 9.155 ( -10.777 -11.068 0.084) 15.448 9.215 ( -3.172 -4.157 -1.001) 5.324 ======================= Grid point 359 (182/227) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -7.256 -0.000 -3.648) 8.122 0.979 ( 7.036 0.000 -3.892) 8.040 2.631 ( -12.092 -0.000 12.478) 17.376 2.640 ( 11.802 0.000 12.373) 17.099 3.224 ( 8.487 0.000 -13.687) 16.105 3.228 ( -8.203 -0.000 -13.503) 15.800 3.733 ( 1.529 0.000 3.839) 4.133 3.737 ( -1.526 -0.000 3.631) 3.939 4.293 ( -15.193 -0.000 -0.615) 15.205 4.294 ( 15.014 0.000 -0.634) 15.027 5.584 ( -14.936 -0.000 0.604) 14.948 5.584 ( 14.967 0.000 0.615) 14.980 6.990 ( 0.987 0.000 0.339) 1.044 6.992 ( -0.798 -0.000 0.221) 0.828 8.005 ( -15.459 -0.000 0.229) 15.460 8.008 ( 15.259 0.000 0.018) 15.259 8.959 ( 7.207 0.000 -0.175) 7.209 8.965 ( -7.139 -0.000 -0.436) 7.152 ======================= Grid point 360 (183/227) ======================= q-point: (-0.40 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -2.993 -2.022 -3.115) 4.769 1.083 ( 9.858 -0.897 -2.488) 10.207 2.488 ( -15.518 5.352 14.089) 21.632 2.837 ( -0.700 -0.013 7.677) 7.709 2.950 ( -6.498 5.323 -15.213) 17.378 3.306 ( 10.436 -3.475 -5.703) 12.390 3.651 ( -5.914 11.505 3.219) 13.331 3.702 ( -0.261 5.981 -0.583) 6.015 4.152 ( -8.804 -6.276 -0.301) 10.816 4.536 ( 15.405 -2.934 -0.761) 15.701 5.348 ( -15.746 1.998 2.073) 16.007 5.742 ( 8.813 3.953 -0.871) 9.698 6.968 ( -1.869 1.369 -0.030) 2.316 6.995 ( -0.114 0.918 0.556) 1.079 7.716 ( -17.166 6.448 -1.243) 18.379 8.171 ( 13.761 6.753 2.805) 15.583 8.873 ( -9.250 -5.300 -2.924) 11.054 9.069 ( 4.521 -2.053 1.123) 5.090 ======================= Grid point 361 (184/227) ======================= q-point: (-0.30 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 3.415 -7.566 -0.838) 8.343 1.224 ( 10.604 -0.867 -1.010) 10.687 2.263 ( -19.195 3.314 5.730) 20.304 2.669 ( -4.091 10.308 -5.324) 12.302 2.780 ( -9.600 3.882 0.544) 10.369 3.243 ( -15.898 18.285 -0.348) 24.232 3.549 ( 11.012 -0.234 5.372) 12.255 3.622 ( 2.506 4.035 -5.099) 6.969 4.176 ( -1.988 -6.252 0.070) 6.561 4.754 ( 12.673 -0.579 -0.592) 12.700 5.162 ( -14.291 -3.386 1.471) 14.760 5.664 ( -1.081 15.001 -0.863) 15.064 6.895 ( -3.418 4.001 -0.214) 5.266 6.957 ( -3.119 2.325 0.499) 3.922 7.429 ( -9.851 4.727 -0.459) 10.936 8.235 ( 12.408 13.679 2.288) 18.610 8.818 ( -11.983 -10.976 -2.482) 16.439 9.132 ( 0.274 -1.442 0.677) 1.616 ======================= Grid point 362 (185/227) ======================= q-point: (-0.20 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 8.428 -11.641 -0.699) 14.389 1.365 ( 6.696 -1.443 1.463) 7.004 1.998 ( -16.262 0.115 -3.000) 16.537 2.420 ( -10.099 12.530 -0.689) 16.108 2.545 ( -13.373 7.230 3.005) 15.496 2.707 ( -12.308 26.303 1.362) 29.073 3.555 ( 2.222 4.240 -2.612) 5.454 3.751 ( 7.064 -3.431 0.893) 7.904 4.261 ( 3.380 -5.081 0.123) 6.104 4.805 ( -4.373 7.600 0.190) 8.770 5.066 ( -11.546 -7.543 -1.992) 13.935 5.380 ( 1.481 17.731 1.621) 17.866 6.771 ( -3.922 6.061 0.261) 7.224 6.882 ( -2.871 1.561 -0.173) 3.272 7.317 ( -2.515 1.450 0.731) 2.993 8.156 ( 8.459 18.104 -2.541) 20.144 8.811 ( -13.516 -13.285 2.497) 19.115 9.142 ( -0.873 -1.223 -0.694) 1.655 ======================= Grid point 363 (186/227) ======================= q-point: (-0.10 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -3.525 -0.828 -3.253) 4.867 1.498 ( 3.926 -10.467 6.048) 12.710 1.790 ( -10.347 -2.472 -7.524) 13.030 2.031 ( -6.241 12.679 -8.432) 16.456 2.306 ( -8.681 14.274 7.384) 18.265 2.372 ( -3.843 11.510 11.185) 16.503 3.514 ( 3.209 3.530 -4.526) 6.575 3.841 ( 1.697 -1.604 -1.254) 2.650 4.397 ( 5.018 -4.313 0.241) 6.622 4.434 ( -18.057 13.300 0.129) 22.427 4.998 ( -7.039 -5.805 -6.409) 11.150 5.363 ( 10.746 7.805 6.368) 14.730 6.652 ( -1.675 5.195 0.636) 5.495 6.838 ( -1.689 0.469 -0.332) 1.784 7.289 ( -0.844 0.974 0.941) 1.596 7.978 ( 5.346 15.054 -5.719) 16.968 8.837 ( -12.919 -11.694 6.501) 18.599 9.143 ( 0.637 -0.994 -2.337) 2.618 ======================= Grid point 370 (187/227) ======================= q-point: (-0.40 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 0.371 0.000 -1.293) 1.345 1.217 ( 10.930 0.000 -0.368) 10.937 2.304 ( -23.818 -0.000 4.804) 24.297 2.831 ( -4.868 -0.000 -5.912) 7.658 2.834 ( -6.295 -0.000 1.652) 6.508 3.376 ( 2.659 0.000 -0.215) 2.668 3.688 ( -2.555 -0.000 2.149) 3.338 3.735 ( -5.403 -0.000 0.989) 5.492 4.002 ( 1.499 0.000 -2.626) 3.023 4.730 ( 14.656 0.000 0.902) 14.684 5.120 ( -17.698 -0.000 -0.363) 17.701 5.884 ( 4.891 0.000 0.346) 4.904 6.956 ( -1.723 -0.000 -0.035) 1.723 6.994 ( -1.665 -0.000 0.068) 1.667 7.503 ( -17.773 -0.000 -0.858) 17.794 8.419 ( 9.872 0.000 8.091) 12.764 8.649 ( -11.132 -0.000 -8.077) 13.754 9.115 ( 2.352 0.000 0.548) 2.415 ======================= Grid point 371 (188/227) ======================= q-point: (-0.30 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 4.443 -5.676 1.350) 7.333 1.353 ( 8.446 0.046 0.258) 8.450 1.986 ( -23.016 -0.471 -1.749) 23.088 2.684 ( -11.658 4.140 -1.661) 12.482 2.703 ( -8.564 5.238 4.267) 10.908 3.252 ( -11.735 10.311 -0.152) 15.622 3.628 ( -0.926 0.152 -5.237) 5.320 3.670 ( -1.095 0.385 1.761) 2.109 4.140 ( 9.533 -3.216 2.273) 10.315 4.894 ( -3.089 -2.152 -5.673) 6.808 4.922 ( -2.474 -0.306 5.262) 5.823 5.818 ( -4.172 10.869 -0.601) 11.658 6.907 ( -2.341 3.050 -0.242) 3.852 6.938 ( -4.165 1.975 -0.345) 4.622 7.299 ( -11.940 -2.015 1.593) 12.213 8.443 ( -6.999 -2.107 -18.096) 19.517 8.579 ( 1.289 2.318 17.822) 18.018 9.129 ( -0.251 -0.104 -0.230) 0.356 ======================= Grid point 372 (189/227) ======================= q-point: (-0.20 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 6.278 -10.918 0.947) 12.630 1.429 ( 0.854 0.833 2.178) 2.484 1.701 ( -18.810 -3.090 -2.640) 19.244 2.371 ( -16.013 9.857 -4.694) 19.380 2.521 ( -13.132 6.778 10.640) 18.210 2.891 ( -7.627 18.195 -0.785) 19.745 3.609 ( 4.180 1.278 -6.769) 8.058 3.674 ( -6.450 -7.337 -0.145) 9.770 4.309 ( 8.821 -0.776 1.144) 8.929 4.794 ( -9.683 -5.167 -2.936) 11.361 4.868 ( -8.732 11.262 3.082) 14.579 5.591 ( 0.141 9.010 -0.972) 9.063 6.810 ( -2.599 5.192 -0.509) 5.828 6.863 ( -2.506 1.170 -0.386) 2.792 7.242 ( -7.341 -4.449 2.931) 9.071 8.210 ( -9.473 -0.964 -20.044) 22.190 8.673 ( -2.617 3.145 19.757) 20.176 9.133 ( 1.493 -0.597 -0.603) 1.717 ======================= Grid point 373 (190/227) ======================= q-point: (-0.10 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -8.996 1.006 0.855) 9.092 1.401 ( -5.300 -7.756 4.264) 10.316 1.559 ( -7.386 -7.157 0.298) 10.289 1.995 ( -11.722 8.129 -6.470) 15.663 2.376 ( -6.094 3.956 9.648) 12.078 2.588 ( -3.166 15.300 1.005) 15.657 3.580 ( 5.529 4.436 -8.615) 11.156 3.682 ( -9.503 -10.662 -1.933) 14.413 4.398 ( -9.022 8.653 0.242) 12.503 4.448 ( -2.527 5.566 1.463) 6.286 4.805 ( -3.777 -4.728 -0.511) 6.073 5.583 ( 6.399 2.189 -1.255) 6.879 6.708 ( -0.876 4.592 -1.343) 4.864 6.826 ( -0.902 0.736 -0.157) 1.175 7.233 ( -6.302 -4.216 2.918) 8.124 7.934 ( -10.584 -1.517 -18.195) 21.104 8.734 ( -4.505 0.971 18.440) 19.007 9.177 ( 5.127 0.986 -0.326) 5.231 ======================= Grid point 381 (191/227) ======================= q-point: (-0.30 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 4.117 0.000 2.253) 4.694 1.442 ( 3.587 0.000 0.628) 3.641 1.655 ( -21.871 -0.000 -1.149) 21.901 2.499 ( -16.826 -0.000 -1.581) 16.900 2.651 ( -13.533 -0.000 8.762) 16.122 3.171 ( -10.634 -0.000 -2.292) 10.878 3.494 ( -10.293 -0.000 -1.003) 10.342 3.662 ( 5.112 0.000 -8.515) 9.932 4.341 ( 13.451 0.000 5.933) 14.701 4.651 ( -12.762 -0.000 -5.716) 13.983 5.045 ( 4.282 0.000 3.353) 5.438 5.775 ( -12.449 -0.000 -2.154) 12.633 6.878 ( -6.213 -0.000 -0.287) 6.220 6.888 ( -3.031 -0.000 -1.347) 3.317 7.139 ( -10.172 -0.000 5.182) 11.416 8.143 ( -10.977 -0.000 -18.075) 21.147 8.790 ( 3.883 0.000 17.044) 17.481 9.107 ( -2.165 -0.000 -0.014) 2.165 ======================= Grid point 382 (192/227) ======================= q-point: (-0.20 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.504 -7.328 -0.098) 7.346 1.416 ( -15.843 -2.877 3.848) 16.556 1.442 ( -4.729 2.039 2.976) 5.948 2.201 ( -19.449 5.095 -2.363) 20.244 2.473 ( -18.009 2.840 11.996) 21.824 2.945 ( -7.796 7.750 -6.437) 12.739 3.399 ( -10.119 -6.978 -2.618) 12.568 3.675 ( 7.300 1.919 -8.318) 11.232 4.406 ( -2.076 2.964 -3.716) 5.187 4.621 ( 3.753 -7.108 1.063) 8.108 4.958 ( -10.528 15.448 4.003) 19.118 5.564 ( -10.124 -2.708 -2.465) 10.766 6.805 ( -3.968 0.494 -0.922) 4.103 6.819 ( -4.063 -0.456 -1.114) 4.237 7.091 ( -8.469 -3.628 5.925) 10.954 7.860 ( -11.638 -2.036 -21.365) 24.415 8.894 ( -0.306 8.257 17.898) 19.713 9.133 ( 1.629 -4.529 3.472) 5.935 ======================= Grid point 383 (193/227) ======================= q-point: (-0.10 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -10.157 -6.420 3.617) 12.549 1.274 ( -15.022 2.688 8.541) 17.488 1.406 ( -3.316 -7.969 4.519) 9.743 1.846 ( -16.675 4.753 -3.581) 17.705 2.363 ( -8.813 -3.410 9.687) 13.532 2.679 ( -6.161 9.641 -6.475) 13.147 3.332 ( -12.500 -10.353 -6.620) 17.529 3.663 ( 6.912 4.628 -9.323) 12.494 4.351 ( -3.833 -2.882 -1.358) 4.984 4.515 ( -13.122 17.256 4.516) 22.144 4.771 ( 4.539 -2.376 -0.665) 5.167 5.542 ( -5.207 -8.088 -2.940) 10.058 6.713 ( -2.970 2.216 -2.361) 4.394 6.808 ( -1.020 -2.383 -0.624) 2.666 7.072 ( -9.424 -5.255 4.970) 11.880 7.571 ( -12.078 -3.710 -20.134) 23.770 8.898 ( -0.984 6.484 16.865) 18.095 9.274 ( 5.707 -1.216 5.760) 8.199 ======================= Grid point 392 (194/227) ======================= q-point: (-0.20 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -5.950 -0.000 3.470) 6.889 1.270 ( -9.139 -0.000 6.347) 11.127 1.386 ( -10.563 -0.000 4.225) 11.377 1.955 ( -20.323 -0.000 -0.114) 20.324 2.277 ( -26.662 -0.000 17.884) 32.104 2.804 ( -6.391 -0.000 -14.622) 15.958 3.205 ( -8.029 -0.000 -7.410) 10.926 3.738 ( 7.829 0.000 -8.157) 11.306 4.287 ( -5.917 -0.000 -5.768) 8.264 4.705 ( 8.567 0.000 0.601) 8.588 4.998 ( -12.200 -0.000 5.054) 13.206 5.245 ( -21.367 -0.000 -0.879) 21.385 6.734 ( -2.891 -0.000 0.490) 2.933 6.750 ( -5.378 -0.000 -1.289) 5.530 7.012 ( -6.324 -0.000 3.921) 7.441 7.524 ( -12.365 -0.000 -21.650) 24.932 9.081 ( -1.093 -0.000 4.876) 4.997 9.175 ( 4.829 0.000 19.631) 20.217 ======================= Grid point 393 (195/227) ======================= q-point: (-0.10 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -9.269 -3.028 13.198) 16.409 1.158 ( -13.658 1.836 6.056) 15.053 1.285 ( -8.359 -6.288 4.607) 11.430 1.648 ( -18.434 4.566 0.914) 19.013 2.162 ( -20.666 -11.359 20.634) 31.334 2.596 ( -3.805 2.491 -16.412) 17.031 3.011 ( -10.505 -2.461 -14.976) 18.458 3.738 ( 5.748 3.053 -10.691) 12.516 4.242 ( -1.635 -3.804 -0.461) 4.166 4.610 ( -15.219 18.543 5.717) 24.660 4.802 ( 5.591 -1.342 -4.259) 7.156 5.188 ( -16.793 -18.205 1.810) 24.834 6.659 ( -5.071 0.374 -1.645) 5.344 6.742 ( -0.698 -3.215 0.636) 3.350 6.956 ( -5.876 -0.650 1.628) 6.132 7.214 ( -13.071 -3.389 -17.303) 21.948 9.090 ( 0.946 4.521 11.112) 12.034 9.407 ( 7.130 -0.702 12.376) 14.300 ======================= Grid point 403 (196/227) ======================= q-point: (-0.10 -0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -19.088 -0.000 10.427) 21.750 0.994 ( -23.038 -0.000 6.504) 23.939 1.171 ( 5.051 0.000 7.677) 9.189 1.492 ( -15.086 -0.000 6.695) 16.505 1.954 ( -20.049 -0.000 29.193) 35.414 2.438 ( -0.323 -0.000 -20.440) 20.442 2.715 ( -11.471 -0.000 -19.451) 22.581 3.696 ( 1.162 0.000 -18.043) 18.081 4.250 ( 3.150 0.000 4.771) 5.717 4.656 ( -15.688 -0.000 6.589) 17.016 4.705 ( -10.851 -0.000 1.112) 10.908 4.873 ( 0.470 0.000 -2.469) 2.513 6.572 ( -5.755 -0.000 -0.893) 5.824 6.731 ( 0.364 0.000 1.039) 1.101 6.888 ( -13.462 -0.000 -10.113) 16.838 6.901 ( -2.960 -0.000 -0.046) 2.961 9.207 ( 0.945 0.000 10.814) 10.855 9.613 ( 9.869 0.000 6.605) 11.875 ======================= Grid point 404 (197/227) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -1.903 -0.000 -1.964) 2.735 0.601 ( 1.903 0.000 1.964) 2.735 1.732 ( 1.029 0.000 -3.865) 3.999 1.732 ( -1.029 -0.000 3.865) 3.999 1.881 ( -0.256 -0.000 -0.738) 0.782 1.881 ( 0.256 0.000 0.738) 0.782 2.760 ( -0.162 -0.000 -31.342) 31.342 2.760 ( 0.162 0.000 31.342) 31.342 4.604 ( -0.087 -0.000 -2.017) 2.019 4.604 ( 0.087 0.000 2.017) 2.019 4.620 ( -0.391 -0.000 -10.211) 10.219 4.620 ( 0.391 0.000 10.211) 10.219 6.512 ( -0.461 -0.000 -2.958) 2.994 6.512 ( 0.461 0.000 2.958) 2.994 6.831 ( 0.515 0.000 -2.487) 2.540 6.831 ( -0.515 -0.000 2.487) 2.540 9.603 ( 0.271 0.000 -9.461) 9.465 9.603 ( -0.271 -0.000 9.461) 9.465 ======================= Grid point 406 (198/227) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 10.119 -10.317 -1.390) 14.518 0.934 ( 17.238 -16.905 -0.117) 24.144 1.642 ( 1.662 1.781 -15.578) 15.768 1.693 ( -0.687 -3.004 -19.122) 19.369 1.970 ( -1.367 -1.467 16.363) 16.486 2.017 ( 6.709 -2.528 21.754) 22.905 2.640 ( 8.280 -8.584 -29.467) 31.789 3.074 ( 6.077 -5.938 26.587) 27.911 4.480 ( -4.461 4.018 -8.591) 10.481 4.582 ( -0.426 1.420 -2.414) 2.832 4.631 ( -2.189 1.284 8.299) 8.678 4.847 ( 14.175 -13.675 -0.455) 19.701 6.529 ( 1.792 -1.738 -0.620) 2.573 6.626 ( 7.135 -5.771 2.249) 9.448 6.815 ( -0.041 -0.269 -2.179) 2.195 6.846 ( 0.070 -0.495 2.187) 2.244 9.509 ( -1.574 1.558 -9.830) 10.076 9.631 ( -2.393 2.366 6.476) 7.298 ======================= Grid point 407 (199/227) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 12.456 -12.368 -4.543) 18.131 1.339 ( 11.251 -12.192 1.022) 16.622 1.536 ( 3.724 3.468 -11.828) 12.876 1.569 ( -1.969 -4.608 -18.591) 19.254 2.075 ( -1.344 2.111 17.233) 17.414 2.324 ( 3.961 -2.894 18.927) 19.552 2.816 ( 18.560 -18.915 -20.945) 33.778 3.411 ( 5.182 -4.887 15.493) 17.052 4.331 ( -0.842 0.948 -4.586) 4.758 4.512 ( -2.530 2.533 -3.799) 5.220 4.647 ( -1.691 1.480 8.912) 9.191 5.254 ( 13.799 -13.636 -1.539) 19.461 6.577 ( 1.420 -1.180 1.090) 2.144 6.817 ( 2.632 -4.145 -2.138) 5.355 6.862 ( 6.424 -4.945 2.079) 8.369 6.907 ( 4.559 -4.082 4.586) 7.647 9.373 ( -3.172 2.953 -9.793) 10.708 9.569 ( -4.150 4.508 1.664) 6.350 ======================= Grid point 408 (200/227) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 6.945 -6.377 -13.362) 16.354 1.506 ( 11.538 2.905 -13.727) 18.165 1.531 ( -2.739 -10.947 -1.264) 11.355 1.597 ( 6.022 -7.127 -0.302) 9.336 2.134 ( -2.004 3.750 15.664) 16.231 2.479 ( 0.753 -0.076 12.371) 12.394 3.248 ( 18.493 -18.860 -8.308) 27.690 3.501 ( -2.309 2.624 2.933) 4.563 4.387 ( -2.087 3.595 -3.865) 5.676 4.409 ( 3.302 -5.759 -1.947) 6.918 4.698 ( 1.597 -1.099 7.861) 8.097 5.482 ( 2.616 -2.897 2.534) 4.654 6.607 ( 0.042 0.038 2.243) 2.244 6.842 ( -1.201 -1.317 -0.590) 1.878 7.089 ( 9.054 -7.649 -0.012) 11.852 7.153 ( 11.723 -10.050 6.539) 16.769 9.202 ( -3.537 3.705 -10.070) 11.298 9.424 ( -6.492 6.535 -0.804) 9.247 ======================= Grid point 409 (201/227) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 1.206 0.364 -8.303) 8.398 1.542 ( 5.433 -3.813 -9.971) 11.978 1.701 ( 2.492 -8.337 -0.134) 8.703 1.718 ( 4.322 -1.298 0.312) 4.524 2.162 ( -1.379 3.083 11.018) 11.524 2.558 ( 0.212 0.361 7.563) 7.574 3.417 ( -2.424 2.550 -1.343) 3.766 3.648 ( 11.696 -12.018 -0.851) 16.791 4.250 ( -3.931 3.136 -3.155) 5.936 4.484 ( 0.150 -0.394 0.214) 0.473 4.824 ( 4.959 -4.426 -2.204) 7.003 5.510 ( -2.210 1.819 7.494) 8.022 6.615 ( -0.556 0.513 2.234) 2.359 6.826 ( -1.368 0.005 -0.394) 1.424 7.246 ( 3.521 -3.108 1.161) 4.838 7.560 ( 14.027 -12.599 3.796) 19.233 9.050 ( -1.446 2.132 -8.802) 9.171 9.213 ( -8.427 7.807 0.130) 11.488 ======================= Grid point 410 (202/227) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -0.000 0.000 0.000) 0.000 1.575 ( -0.000 0.000 0.000) 0.000 1.741 ( -0.000 0.000 0.000) 0.000 1.791 ( 0.000 -0.000 -0.000) 0.000 2.175 ( -0.000 0.000 0.000) 0.000 2.586 ( -0.000 0.000 -0.000) 0.000 3.375 ( -0.000 0.000 0.000) 0.000 3.824 ( -0.000 0.000 0.000) 0.000 4.183 ( -0.000 0.000 0.000) 0.000 4.476 ( -0.000 0.000 0.000) 0.000 4.877 ( -0.000 0.000 0.000) 0.000 5.513 ( 0.000 -0.000 0.000) 0.000 6.616 ( -0.000 0.000 0.000) 0.000 6.813 ( 0.000 0.000 0.000) 0.000 7.295 ( -0.000 0.000 0.000) 0.000 7.789 ( -0.000 0.000 -0.000) 0.000 8.997 ( 0.000 -0.000 -0.000) 0.000 9.068 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 417 (203/227) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 22.375 0.000 -3.104) 22.589 1.057 ( 20.535 0.000 -0.360) 20.538 1.418 ( -7.378 -0.000 -17.389) 18.889 1.724 ( 14.666 0.000 -17.222) 22.620 2.045 ( -1.108 -0.000 20.913) 20.942 2.321 ( 13.873 0.000 19.271) 23.745 2.517 ( 14.373 0.000 -27.212) 30.775 3.307 ( 5.608 0.000 23.002) 23.675 4.372 ( -5.379 -0.000 -7.974) 9.619 4.633 ( -3.482 -0.000 7.817) 8.557 4.766 ( 14.164 0.000 -4.857) 14.974 4.857 ( 11.345 0.000 0.081) 11.346 6.586 ( 7.203 0.000 -2.264) 7.550 6.723 ( 9.065 0.000 4.324) 10.043 6.793 ( 0.502 0.000 -1.440) 1.525 6.870 ( 1.699 0.000 2.934) 3.390 9.416 ( -2.169 -0.000 -10.745) 10.961 9.635 ( -5.070 -0.000 3.197) 5.994 ======================= Grid point 418 (204/227) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 21.018 2.007 -8.535) 22.774 1.232 ( -6.496 -6.487 -9.238) 13.024 1.370 ( 11.774 -7.478 -3.214) 14.314 1.762 ( 17.053 8.766 -11.892) 22.563 2.194 ( 1.714 2.916 18.280) 18.590 2.591 ( 13.277 2.038 -3.953) 14.002 2.732 ( 20.919 -13.610 1.031) 24.979 3.514 ( 0.281 -1.324 13.317) 13.386 4.272 ( -1.624 -2.266 -3.843) 4.748 4.652 ( -0.297 1.447 6.907) 7.063 4.728 ( 9.312 15.043 -2.156) 17.822 5.227 ( 13.277 -15.291 -1.892) 20.339 6.654 ( 6.534 2.268 -0.973) 6.985 6.773 ( 0.896 -2.397 -2.763) 3.766 6.945 ( 7.559 -1.677 2.988) 8.299 6.981 ( 9.903 -4.170 8.235) 13.538 9.290 ( -2.587 2.098 -10.357) 10.879 9.544 ( -6.062 2.203 -2.279) 6.841 ======================= Grid point 419 (205/227) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -1.223 -8.442 -8.013) 11.703 1.431 ( 14.894 -1.922 -7.492) 16.782 1.525 ( 5.310 -4.372 -6.588) 9.524 1.811 ( 16.602 10.036 -1.986) 19.501 2.295 ( 4.337 5.153 13.719) 15.284 2.688 ( 10.493 6.717 0.556) 12.471 3.223 ( 18.258 -15.772 0.270) 24.129 3.520 ( -5.113 3.120 5.154) 7.902 4.343 ( 1.447 -6.860 -0.711) 7.047 4.600 ( 12.237 19.112 -4.132) 23.067 4.717 ( -0.895 -3.469 5.421) 6.498 5.482 ( 2.668 -5.058 3.070) 6.491 6.686 ( 4.658 3.796 0.493) 6.029 6.805 ( 0.241 -1.860 -0.490) 1.939 7.130 ( 9.397 -5.235 -0.453) 10.766 7.284 ( 14.474 -6.352 10.314) 18.874 9.139 ( -1.837 3.831 -10.039) 10.901 9.385 ( -7.177 4.111 -4.494) 9.413 ======================= Grid point 420 (206/227) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 0.591 -5.513 -1.781) 5.824 1.517 ( 5.297 -1.332 -7.421) 9.215 1.627 ( 7.939 -4.220 -6.734) 11.233 1.874 ( 9.276 9.992 5.793) 14.814 2.379 ( 9.794 8.692 6.596) 14.663 2.694 ( 6.980 8.088 -3.373) 11.203 3.420 ( -4.327 2.860 4.865) 7.111 3.645 ( 10.848 -11.348 1.420) 15.763 4.403 ( 0.389 -0.672 -0.441) 0.893 4.483 ( 9.168 14.993 -2.122) 17.701 4.811 ( 3.864 -4.074 -1.210) 5.744 5.523 ( -4.500 0.291 5.454) 7.076 6.687 ( 3.302 4.568 0.692) 5.678 6.817 ( 0.066 0.091 0.611) 0.621 7.274 ( 4.685 -1.857 -0.255) 5.046 7.680 ( 15.788 -6.978 8.023) 19.035 9.008 ( 1.030 2.583 -10.011) 10.390 9.183 ( -8.216 5.243 -1.426) 9.850 ======================= Grid point 421 (207/227) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -2.413 -1.258 0.650) 2.797 1.577 ( 0.336 -4.686 0.796) 4.765 1.719 ( 6.511 -1.085 -4.289) 7.871 1.871 ( 5.918 12.799 7.881) 16.154 2.380 ( 10.283 15.308 -2.224) 18.575 2.634 ( 6.691 5.342 -9.991) 13.157 3.389 ( -2.146 0.715 6.124) 6.529 3.819 ( -0.841 -0.494 0.685) 1.192 4.404 ( -4.334 -4.523 -0.464) 6.282 4.435 ( 16.894 15.106 0.011) 22.662 4.895 ( 1.582 -0.399 3.125) 3.525 5.463 ( -4.398 -0.230 -2.720) 5.176 6.670 ( 3.566 4.217 -1.101) 5.631 6.826 ( 1.145 0.270 0.856) 1.455 7.310 ( 0.904 1.490 -0.696) 1.876 7.868 ( 1.230 7.599 3.525) 8.467 8.988 ( 6.043 -3.986 -7.148) 10.174 9.069 ( -2.307 0.493 4.633) 5.199 ======================= Grid point 422 (208/227) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -7.994 -4.140 5.901) 10.764 1.608 ( -5.949 -3.206 0.253) 6.763 1.773 ( 0.510 5.793 8.433) 10.244 1.829 ( 15.168 16.658 3.418) 22.787 2.220 ( 5.222 14.764 -9.870) 18.511 2.592 ( 10.469 6.005 -13.320) 17.975 3.426 ( 0.400 -1.798 3.598) 4.042 3.660 ( -11.740 10.302 2.995) 15.904 4.408 ( -3.183 -3.182 0.066) 4.501 4.522 ( 17.765 9.245 1.213) 20.063 4.834 ( -7.808 8.287 3.424) 11.889 5.433 ( 2.061 -4.385 -7.370) 8.820 6.660 ( 4.949 3.569 -2.716) 6.679 6.852 ( 1.806 0.025 0.590) 1.900 7.249 ( -2.422 4.683 -1.633) 5.519 7.588 ( -11.871 19.126 -0.540) 22.517 9.111 ( 3.906 -2.943 6.014) 7.751 9.202 ( 7.562 -9.059 -0.581) 11.815 ======================= Grid point 423 (209/227) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -9.744 -7.477 9.872) 15.758 1.497 ( -5.890 7.682 1.067) 9.738 1.669 ( -1.236 13.182 5.787) 14.449 1.905 ( 16.637 15.277 10.000) 24.701 2.020 ( 1.343 6.402 -15.105) 16.460 2.535 ( 10.924 9.572 -14.114) 20.252 3.317 ( -15.252 15.157 7.627) 22.815 3.468 ( -2.563 -0.097 -0.654) 2.647 4.371 ( -7.230 1.047 3.593) 8.142 4.591 ( -5.081 0.223 -8.519) 9.922 4.667 ( 18.080 12.795 1.982) 22.238 5.452 ( -2.690 0.532 -1.392) 3.075 6.662 ( 5.533 4.179 -2.425) 7.346 6.872 ( 1.223 0.655 -0.303) 1.420 7.093 ( -5.303 7.697 -2.668) 9.720 7.147 ( -11.896 17.222 -0.247) 20.933 9.271 ( 4.283 -4.184 7.295) 9.438 9.404 ( 4.892 -7.505 -0.699) 8.986 ======================= Grid point 424 (210/227) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -1.133 14.953 0.148) 14.997 1.337 ( -6.769 5.765 2.461) 9.226 1.546 ( -2.365 5.614 16.526) 17.613 1.851 ( -3.017 -1.463 -17.262) 17.584 1.987 ( 14.400 15.966 9.760) 23.612 2.364 ( 2.561 15.686 -14.297) 21.378 3.002 ( -11.474 15.315 20.098) 27.751 3.287 ( -6.976 7.367 -16.097) 19.028 4.346 ( 0.534 -3.091 5.662) 6.473 4.518 ( -2.610 -5.034 -7.756) 9.608 4.766 ( 17.309 11.936 1.213) 21.061 5.243 ( -14.829 12.143 0.825) 19.185 6.652 ( 5.371 6.304 -1.141) 8.360 6.839 ( -6.164 7.274 -1.188) 9.608 6.869 ( -1.368 3.651 0.278) 3.909 6.893 ( -3.535 6.497 -1.318) 7.513 9.431 ( 2.827 -4.007 6.693) 8.297 9.522 ( 1.589 -5.290 -2.751) 6.171 ======================= Grid point 425 (211/227) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -7.117 21.225 -0.447) 22.391 1.031 ( 7.117 21.225 0.447) 22.391 1.713 ( -0.017 -4.851 -22.941) 23.448 1.713 ( 0.017 -4.851 22.941) 23.448 2.003 ( -1.617 13.987 -17.049) 22.111 2.003 ( 1.617 13.987 17.049) 22.111 2.935 ( -0.167 10.540 -26.247) 28.285 2.935 ( 0.167 10.540 26.247) 28.285 4.504 ( -0.676 -6.010 -9.032) 10.870 4.504 ( 0.676 -6.010 9.032) 10.870 4.826 ( -15.839 13.175 -0.198) 20.603 4.826 ( 15.839 13.175 0.198) 20.603 6.625 ( -5.596 7.420 -0.131) 9.294 6.625 ( 5.596 7.420 0.131) 9.294 6.837 ( 0.315 0.927 -1.958) 2.189 6.837 ( -0.315 0.927 1.958) 2.189 9.553 ( 0.136 -3.397 -7.264) 8.020 9.553 ( -0.136 -3.397 7.264) 8.020 ======================= Grid point 429 (212/227) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -3.298 -0.000 -7.723) 8.398 1.424 ( 15.669 0.000 -10.115) 18.650 1.434 ( 5.806 0.000 0.326) 5.815 2.003 ( 18.311 0.000 -5.442) 19.102 2.494 ( 11.860 0.000 16.526) 20.342 2.648 ( 20.409 0.000 -19.979) 28.560 3.013 ( 15.220 0.000 12.559) 19.733 3.569 ( -4.759 -0.000 9.707) 10.811 4.220 ( 1.104 0.000 0.425) 1.183 4.655 ( -4.732 -0.000 6.139) 7.751 5.092 ( 11.405 0.000 -4.688) 12.331 5.234 ( 16.597 0.000 0.347) 16.600 6.753 ( 6.344 0.000 -1.542) 6.529 6.758 ( 2.872 0.000 -2.329) 3.698 7.047 ( 8.274 0.000 0.538) 8.291 7.202 ( 13.089 0.000 12.941) 18.406 9.206 ( -1.806 -0.000 -8.177) 8.374 9.435 ( -6.150 -0.000 -7.866) 9.985 ======================= Grid point 430 (213/227) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -1.027 -6.692 -1.668) 6.973 1.482 ( -0.235 -1.308 0.014) 1.329 1.552 ( 13.554 -1.411 -10.251) 17.052 2.184 ( 18.962 7.297 -1.575) 20.378 2.626 ( 15.786 11.382 3.317) 19.742 2.871 ( 12.996 -0.636 -4.548) 13.784 3.320 ( 14.198 -7.477 5.415) 16.935 3.521 ( -7.479 2.469 6.852) 10.440 4.315 ( 4.106 -1.888 4.393) 6.302 4.635 ( -4.782 -4.854 0.819) 6.863 5.039 ( 10.912 15.903 -4.287) 19.757 5.502 ( 7.686 -2.310 3.830) 8.893 6.802 ( 4.811 2.437 -0.808) 5.454 6.808 ( 3.706 -0.478 -0.098) 3.738 7.186 ( 9.532 -3.399 -3.213) 10.618 7.515 ( 14.692 -3.367 14.465) 20.891 9.112 ( -0.387 3.568 -6.745) 7.640 9.273 ( -6.571 1.014 -9.225) 11.371 ======================= Grid point 431 (214/227) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -3.892 -9.076 -0.391) 9.883 1.472 ( -3.494 -2.132 -1.216) 4.270 1.695 ( 13.063 -0.782 -3.702) 13.600 2.291 ( 16.775 13.239 2.856) 21.560 2.712 ( 16.410 8.590 -3.875) 18.923 2.896 ( 8.655 12.076 -4.175) 15.433 3.443 ( -6.165 2.536 9.226) 11.382 3.652 ( 9.438 -9.721 1.820) 13.670 4.324 ( -5.616 0.342 -0.063) 5.627 4.744 ( 6.710 -6.182 1.914) 9.323 4.937 ( 8.319 12.915 -4.179) 15.921 5.549 ( 1.172 6.872 3.742) 7.912 6.807 ( 3.896 4.699 -0.331) 6.113 6.845 ( 2.070 1.183 1.235) 2.685 7.312 ( 6.386 -1.629 -3.245) 7.345 7.891 ( 14.187 -4.513 12.768) 19.612 8.987 ( 0.357 3.934 -12.619) 13.223 9.123 ( -5.216 1.760 -0.333) 5.515 ======================= Grid point 432 (215/227) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -8.178 -6.890 -0.039) 10.693 1.435 ( -6.302 -5.117 -3.889) 9.001 1.869 ( 11.323 2.315 6.598) 13.307 2.338 ( 15.479 16.217 5.974) 23.201 2.734 ( 6.537 10.863 -12.951) 18.124 2.779 ( 17.178 16.192 -4.592) 24.049 3.424 ( -3.302 1.316 9.422) 10.070 3.783 ( -3.244 -0.899 -1.422) 3.654 4.267 ( -4.013 -4.773 -0.586) 6.264 4.820 ( 3.990 8.972 -1.416) 9.921 4.977 ( 8.737 -1.668 5.401) 10.406 5.446 ( 2.132 9.737 -3.345) 10.514 6.786 ( 4.372 5.250 -1.130) 6.925 6.866 ( 2.385 1.248 1.303) 2.990 7.348 ( 2.702 2.451 -2.075) 4.197 8.044 ( -1.504 11.099 6.561) 12.980 8.937 ( 6.196 -6.705 -8.607) 12.547 9.095 ( 0.282 0.030 4.150) 4.159 ======================= Grid point 433 (216/227) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -8.865 -6.066 4.817) 11.773 1.382 ( -7.418 -7.375 -7.583) 12.920 1.991 ( 5.122 8.450 12.562) 15.983 2.354 ( 9.240 15.004 2.471) 17.793 2.522 ( 14.041 22.927 -4.877) 27.324 2.786 ( 16.675 9.888 -12.115) 22.861 3.437 ( -2.235 0.426 5.033) 5.524 3.618 ( -12.232 5.051 -0.511) 13.244 4.303 ( -1.451 -4.000 -0.114) 4.256 4.692 ( -9.668 4.737 -0.071) 10.767 5.094 ( 12.851 13.078 5.605) 19.173 5.388 ( 6.624 -0.249 -7.047) 9.675 6.779 ( 5.871 4.444 -1.511) 7.517 6.894 ( 2.772 1.311 0.732) 3.152 7.288 ( -0.172 6.634 -1.935) 6.913 7.714 ( -12.210 21.486 0.998) 24.733 9.138 ( 6.652 -8.491 0.218) 10.789 9.184 ( 4.062 -5.170 2.529) 7.045 ======================= Grid point 434 (217/227) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -4.935 -7.363 9.328) 12.868 1.329 ( -5.547 -7.309 -9.171) 12.973 1.954 ( -0.259 15.347 13.401) 20.376 2.125 ( 1.694 17.158 -12.456) 21.270 2.517 ( 18.948 21.363 9.526) 30.103 2.756 ( 12.003 12.494 -11.606) 20.854 3.348 ( -9.146 8.341 2.788) 12.688 3.407 ( -7.971 1.816 -0.379) 8.184 4.318 ( -3.114 -0.955 4.533) 5.582 4.464 ( -7.637 3.046 -6.443) 10.446 5.134 ( 16.821 13.271 1.069) 21.452 5.415 ( -2.477 1.125 -1.182) 2.966 6.797 ( 6.137 4.214 -0.271) 7.449 6.901 ( 1.014 2.031 -1.119) 2.531 7.140 ( -1.645 10.812 -1.579) 11.050 7.262 ( -10.360 19.751 0.702) 22.314 9.301 ( 3.020 -5.330 4.020) 7.327 9.346 ( 2.872 -7.607 -1.231) 8.223 ======================= Grid point 435 (218/227) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -0.993 -4.391 -7.956) 9.142 1.299 ( 0.993 -4.391 7.956) 9.142 1.817 ( 1.559 15.495 -15.302) 21.832 1.817 ( -1.559 15.495 15.302) 21.832 2.496 ( -1.907 19.634 -15.110) 24.848 2.496 ( 1.907 19.634 15.110) 24.848 3.217 ( 0.002 8.458 -13.915) 16.284 3.217 ( -0.002 8.458 13.915) 16.284 4.363 ( -0.185 -2.834 -9.184) 9.613 4.363 ( 0.185 -2.834 9.184) 9.613 5.196 ( -15.474 11.509 -0.240) 19.286 5.196 ( 15.474 11.509 0.240) 19.286 6.822 ( -1.484 4.508 -4.977) 6.877 6.822 ( 1.484 4.508 4.977) 6.877 6.968 ( -0.913 11.229 -1.048) 11.315 6.968 ( 0.913 11.229 1.048) 11.315 9.431 ( 0.053 -5.484 -4.177) 6.893 9.431 ( -0.053 -5.484 4.177) 6.893 ======================= Grid point 441 (219/227) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -1.357 -0.000 -1.113) 1.755 1.442 ( -5.121 -0.000 1.503) 5.337 1.683 ( 16.485 0.000 -5.853) 17.493 2.469 ( 15.966 0.000 0.732) 15.983 2.888 ( 13.462 0.000 -14.159) 19.537 3.078 ( 15.906 0.000 7.952) 17.783 3.458 ( 10.578 0.000 2.687) 10.914 3.482 ( -7.945 -0.000 8.194) 11.414 4.458 ( -10.115 -0.000 -4.938) 11.256 4.496 ( 11.325 0.000 9.463) 14.758 5.132 ( -2.578 -0.000 -5.376) 5.963 5.706 ( 11.721 0.000 5.093) 12.780 6.874 ( 5.603 0.000 -0.027) 5.603 6.875 ( 3.668 0.000 -0.293) 3.679 7.260 ( 10.698 0.000 -6.449) 12.491 7.800 ( 13.559 0.000 16.410) 21.287 9.100 ( -6.135 -0.000 -13.768) 15.073 9.114 ( 0.131 0.000 -1.198) 1.205 ======================= Grid point 442 (220/227) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -2.997 -4.604 -3.676) 6.610 1.363 ( -8.234 -0.901 -0.069) 8.283 1.909 ( 18.177 0.722 2.958) 18.430 2.633 ( 11.259 4.888 3.105) 12.661 2.901 ( 9.854 4.849 -14.027) 17.815 3.241 ( 14.163 10.882 1.546) 17.928 3.458 ( -4.305 1.250 10.615) 11.522 3.667 ( 6.960 -6.271 1.918) 9.563 4.234 ( -9.212 2.445 -5.681) 11.095 4.771 ( 6.122 -7.236 7.145) 11.869 5.019 ( -0.689 3.392 -5.474) 6.477 5.785 ( 5.187 9.273 3.001) 11.041 6.900 ( 2.950 2.375 0.080) 3.788 6.926 ( 3.685 2.394 0.904) 4.486 7.375 ( 10.982 -0.271 -5.559) 12.311 8.116 ( 9.925 -2.529 15.370) 18.470 8.895 ( -3.881 1.770 -14.574) 15.185 9.111 ( -0.576 0.548 1.381) 1.593 ======================= Grid point 443 (221/227) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -3.727 -5.544 -2.569) 7.157 1.247 ( -9.563 -2.223 -2.953) 10.253 2.167 ( 15.447 4.452 10.639) 19.277 2.699 ( 7.689 8.642 2.715) 11.882 2.835 ( 7.591 5.185 -12.473) 15.495 3.249 ( 15.601 17.106 -0.629) 23.160 3.463 ( -4.817 1.189 8.489) 9.832 3.689 ( -5.689 2.302 -5.580) 8.294 4.176 ( 1.142 -5.413 -0.088) 5.533 4.765 ( -12.495 -0.668 -1.673) 12.624 5.129 ( 13.234 -1.788 4.218) 14.004 5.679 ( 2.570 12.917 -1.988) 13.320 6.896 ( 3.305 3.659 -0.425) 4.949 6.947 ( 3.185 2.310 1.414) 4.181 7.452 ( 9.362 5.182 -2.608) 11.014 8.184 ( -8.231 10.837 6.168) 14.941 8.866 ( 7.733 -8.302 -6.273) 12.964 9.118 ( -0.233 -1.015 2.095) 2.340 ======================= Grid point 444 (222/227) ======================= q-point: (-0.40 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -2.222 -5.628 3.052) 6.777 1.141 ( -7.286 -4.899 -6.182) 10.738 2.313 ( 6.722 11.150 14.118) 19.205 2.566 ( 1.913 14.077 -10.568) 17.706 2.893 ( 13.431 3.309 1.478) 13.912 3.183 ( 12.249 19.915 -3.099) 23.585 3.397 ( -9.791 -2.439 2.125) 10.311 3.517 ( -5.043 6.158 -2.296) 8.283 4.287 ( 5.154 -2.234 -0.038) 5.618 4.562 ( -13.907 1.696 -0.467) 14.018 5.337 ( 7.452 0.103 7.259) 10.404 5.519 ( 3.354 9.734 -7.231) 12.582 6.898 ( 4.256 3.232 -0.076) 5.345 6.959 ( 1.248 1.974 0.277) 2.352 7.451 ( 9.212 11.527 -0.783) 14.776 7.815 ( -14.767 18.498 0.389) 23.672 9.094 ( 6.341 -9.708 -0.087) 11.596 9.171 ( 0.294 -4.673 1.158) 4.823 ======================= Grid point 445 (223/227) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -1.032 -7.091 -9.061) 11.552 1.106 ( 1.032 -7.091 9.061) 11.552 2.272 ( 0.471 15.828 -14.310) 21.343 2.272 ( -0.471 15.828 14.310) 21.343 2.980 ( 0.042 13.858 -10.348) 17.295 2.980 ( -0.042 13.858 10.348) 17.295 3.354 ( -1.422 3.050 -0.808) 3.461 3.354 ( 1.422 3.050 0.808) 3.461 4.372 ( -3.447 2.116 -4.219) 5.845 4.372 ( 3.447 2.116 4.219) 5.845 5.406 ( -0.150 4.779 -7.312) 8.737 5.406 ( 0.150 4.779 7.312) 8.737 6.914 ( -1.177 2.777 -2.367) 3.834 6.914 ( 1.177 2.777 2.367) 3.834 7.382 ( -8.674 17.182 -0.784) 19.263 7.382 ( 8.674 17.182 0.784) 19.263 9.257 ( 0.159 -7.096 -1.897) 7.347 9.257 ( -0.159 -7.096 1.897) 7.347 ======================= Grid point 453 (224/227) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -0.207 -0.000 -5.052) 5.056 1.225 ( -10.445 -0.000 -0.847) 10.479 2.229 ( 20.440 0.000 8.638) 22.191 2.792 ( 3.852 0.000 5.185) 6.459 2.945 ( 7.275 0.000 -14.131) 15.894 3.379 ( -1.552 -0.000 -0.118) 1.557 3.620 ( 7.413 0.000 7.245) 10.365 3.718 ( 4.880 0.000 2.695) 5.575 4.074 ( -4.280 -0.000 -8.030) 9.100 4.713 ( -12.761 -0.000 2.904) 13.087 5.127 ( 16.250 0.000 -1.334) 16.304 5.870 ( -4.381 -0.000 1.916) 4.781 6.951 ( 1.906 0.000 0.349) 1.938 6.988 ( 1.753 0.000 0.662) 1.874 7.537 ( 16.789 0.000 -4.133) 17.290 8.294 ( -0.566 -0.000 13.047) 13.059 8.767 ( 1.930 0.000 -12.204) 12.356 9.108 ( -2.402 -0.000 1.271) 2.718 ======================= Grid point 454 (225/227) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 3.146 -2.113 -2.486) 4.533 1.074 ( -10.272 -0.674 -1.726) 10.438 2.549 ( 16.725 5.436 13.000) 21.870 2.855 ( 2.304 3.832 0.162) 4.475 2.896 ( 5.667 1.497 -7.657) 9.643 3.286 ( -13.098 -3.909 -4.838) 14.500 3.660 ( 5.778 11.829 2.442) 13.390 3.701 ( 1.048 6.287 -0.660) 6.408 4.152 ( 9.074 -6.686 -0.309) 11.275 4.533 ( -15.775 -2.358 -0.537) 15.959 5.355 ( 16.199 1.133 1.516) 16.310 5.738 ( -9.204 4.701 -0.592) 10.352 6.966 ( 1.901 1.439 0.180) 2.391 6.997 ( 0.173 0.721 0.375) 0.831 7.715 ( 17.418 6.287 -1.148) 18.553 8.181 ( -15.120 7.215 2.020) 16.874 8.860 ( 10.494 -5.724 -1.795) 12.088 9.075 ( -4.672 -2.055 0.568) 5.135 ======================= Grid point 455 (226/227) ======================= q-point: (-0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -2.764 -2.919 -4.421) 5.975 0.966 ( 2.764 -2.919 4.421) 5.975 2.651 ( -0.417 11.837 -15.975) 19.887 2.651 ( 0.417 11.837 15.975) 19.887 3.098 ( -6.407 -3.508 -11.427) 13.562 3.098 ( 6.407 -3.508 11.427) 13.562 3.570 ( -4.576 11.478 -0.554) 12.369 3.570 ( 4.576 11.478 0.554) 12.369 4.371 ( -9.537 -3.026 -1.933) 10.191 4.371 ( 9.537 -3.026 1.933) 10.191 5.524 ( -3.595 4.124 -8.850) 10.405 5.524 ( 3.595 4.124 8.850) 10.405 6.974 ( -1.514 1.521 -0.446) 2.192 6.974 ( 1.514 1.521 0.446) 2.192 7.814 ( -14.878 12.932 -1.245) 19.752 7.814 ( 14.878 12.932 1.245) 19.752 9.063 ( -5.630 -6.506 -0.098) 8.604 9.063 ( 5.630 -6.506 0.098) 8.604 ======================= Grid point 466 (227/227) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -8.386 -0.000 0.144) 8.387 0.932 ( 8.386 0.000 -0.144) 8.387 2.894 ( 1.153 0.000 -1.944) 2.260 2.894 ( -1.153 -0.000 1.944) 2.260 2.959 ( -21.957 -0.000 -1.791) 22.030 2.959 ( 21.957 0.000 1.791) 22.030 3.774 ( -2.107 -0.000 -0.117) 2.111 3.774 ( 2.107 0.000 0.117) 2.111 4.286 ( -16.391 -0.000 0.034) 16.391 4.286 ( 16.391 0.000 -0.034) 16.391 5.591 ( -15.304 -0.000 0.011) 15.304 5.591 ( 15.304 0.000 -0.011) 15.304 6.995 ( -1.050 -0.000 -0.044) 1.051 6.995 ( 1.050 0.000 0.044) 1.051 8.008 ( -18.067 -0.000 0.078) 18.067 8.008 ( 18.067 0.000 -0.078) 18.067 8.959 ( -9.276 -0.000 -0.155) 9.278 8.959 ( 9.276 0.000 0.155) 9.278 =================== 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 3/14400 10.0 26.087 25.282 24.584 -0.000 0.716 -0.000 3/14400 20.0 19.403 18.564 14.256 -0.000 -0.048 -0.000 3/14400 30.0 14.170 13.615 11.080 -0.000 -0.050 -0.000 3/14400 40.0 11.200 10.793 9.070 -0.000 -0.032 -0.000 3/14400 50.0 9.265 8.945 7.582 -0.000 -0.020 -0.000 3/14400 60.0 7.879 7.616 6.444 -0.000 -0.013 -0.000 3/14400 70.0 6.832 6.609 5.564 -0.000 -0.009 -0.000 3/14400 80.0 6.017 5.823 4.877 -0.000 -0.006 -0.000 3/14400 90.0 5.368 5.197 4.332 -0.000 -0.004 -0.000 3/14400 100.0 4.841 4.688 3.893 -0.000 -0.003 -0.000 3/14400 110.0 4.406 4.267 3.533 -0.000 -0.002 -0.000 3/14400 120.0 4.042 3.915 3.234 -0.000 -0.002 -0.000 3/14400 130.0 3.732 3.615 2.982 -0.000 -0.001 -0.000 3/14400 140.0 3.467 3.358 2.766 -0.000 -0.001 -0.000 3/14400 150.0 3.236 3.135 2.579 -0.000 -0.000 -0.000 3/14400 160.0 3.034 2.939 2.417 -0.000 -0.000 -0.000 3/14400 170.0 2.856 2.767 2.273 -0.000 -0.000 -0.000 3/14400 180.0 2.697 2.613 2.146 -0.000 -0.000 -0.000 3/14400 190.0 2.556 2.476 2.033 -0.000 0.000 -0.000 3/14400 200.0 2.428 2.352 1.931 -0.000 0.000 -0.000 3/14400 210.0 2.313 2.240 1.838 -0.000 0.000 -0.000 3/14400 220.0 2.208 2.139 1.755 -0.000 0.000 -0.000 3/14400 230.0 2.112 2.046 1.678 -0.000 0.000 -0.000 3/14400 240.0 2.024 1.961 1.608 -0.000 0.000 -0.000 3/14400 250.0 1.943 1.883 1.544 -0.000 0.000 -0.000 3/14400 260.0 1.868 1.810 1.484 -0.000 0.000 -0.000 3/14400 270.0 1.799 1.743 1.429 -0.000 0.000 -0.000 3/14400 280.0 1.735 1.681 1.378 -0.000 0.000 -0.000 3/14400 290.0 1.675 1.623 1.331 -0.000 0.000 -0.000 3/14400 300.0 1.620 1.569 1.286 -0.000 0.000 -0.000 3/14400 310.0 1.568 1.519 1.245 -0.000 0.000 -0.000 3/14400 320.0 1.519 1.471 1.206 -0.000 0.000 -0.000 3/14400 330.0 1.473 1.427 1.170 -0.000 0.000 -0.000 3/14400 340.0 1.429 1.385 1.135 -0.000 0.000 -0.000 3/14400 350.0 1.389 1.346 1.103 -0.000 0.000 -0.000 3/14400 360.0 1.350 1.308 1.072 -0.000 0.000 -0.000 3/14400 370.0 1.314 1.273 1.043 -0.000 0.000 -0.000 3/14400 380.0 1.279 1.239 1.016 -0.000 0.000 -0.000 3/14400 390.0 1.247 1.208 0.990 -0.000 0.000 -0.000 3/14400 400.0 1.215 1.178 0.965 -0.000 0.000 -0.000 3/14400 410.0 1.186 1.149 0.942 -0.000 0.000 -0.000 3/14400 420.0 1.158 1.122 0.919 -0.000 0.000 -0.000 3/14400 430.0 1.131 1.096 0.898 -0.000 0.000 -0.000 3/14400 440.0 1.105 1.071 0.877 -0.000 0.000 -0.000 3/14400 450.0 1.081 1.047 0.858 -0.000 0.000 -0.000 3/14400 460.0 1.057 1.024 0.839 -0.000 0.000 -0.000 3/14400 470.0 1.035 1.003 0.822 -0.000 0.000 -0.000 3/14400 480.0 1.013 0.982 0.804 -0.000 0.000 -0.000 3/14400 490.0 0.993 0.962 0.788 -0.000 0.000 -0.000 3/14400 500.0 0.973 0.942 0.772 -0.000 0.000 -0.000 3/14400 510.0 0.954 0.924 0.757 -0.000 0.000 -0.000 3/14400 520.0 0.935 0.906 0.743 -0.000 0.000 -0.000 3/14400 530.0 0.918 0.889 0.729 -0.000 0.000 -0.000 3/14400 540.0 0.901 0.873 0.715 -0.000 0.000 -0.000 3/14400 550.0 0.884 0.857 0.702 -0.000 0.000 -0.000 3/14400 560.0 0.869 0.842 0.690 -0.000 0.000 -0.000 3/14400 570.0 0.853 0.827 0.678 -0.000 0.000 -0.000 3/14400 580.0 0.839 0.813 0.666 -0.000 0.000 -0.000 3/14400 590.0 0.825 0.799 0.655 -0.000 0.000 -0.000 3/14400 600.0 0.811 0.786 0.644 -0.000 0.000 -0.000 3/14400 610.0 0.798 0.773 0.633 -0.000 0.000 -0.000 3/14400 620.0 0.785 0.760 0.623 -0.000 0.000 -0.000 3/14400 630.0 0.772 0.748 0.613 -0.000 0.000 -0.000 3/14400 640.0 0.760 0.737 0.604 -0.000 0.000 -0.000 3/14400 650.0 0.749 0.725 0.594 -0.000 0.000 -0.000 3/14400 660.0 0.737 0.714 0.585 -0.000 0.000 -0.000 3/14400 670.0 0.726 0.704 0.577 -0.000 0.000 -0.000 3/14400 680.0 0.716 0.693 0.568 -0.000 0.000 -0.000 3/14400 690.0 0.705 0.683 0.560 -0.000 0.000 -0.000 3/14400 700.0 0.695 0.674 0.552 -0.000 0.000 -0.000 3/14400 710.0 0.685 0.664 0.544 -0.000 0.000 -0.000 3/14400 720.0 0.676 0.655 0.537 -0.000 0.000 -0.000 3/14400 730.0 0.667 0.646 0.529 -0.000 0.000 -0.000 3/14400 740.0 0.658 0.637 0.522 -0.000 0.000 -0.000 3/14400 750.0 0.649 0.629 0.515 -0.000 0.000 -0.000 3/14400 760.0 0.640 0.620 0.508 -0.000 0.000 -0.000 3/14400 770.0 0.632 0.612 0.502 -0.000 0.000 -0.000 3/14400 780.0 0.624 0.605 0.495 -0.000 0.000 -0.000 3/14400 790.0 0.616 0.597 0.489 -0.000 0.000 -0.000 3/14400 800.0 0.608 0.589 0.483 -0.000 0.000 -0.000 3/14400 810.0 0.601 0.582 0.477 -0.000 0.000 -0.000 3/14400 820.0 0.594 0.575 0.471 -0.000 0.000 -0.000 3/14400 830.0 0.586 0.568 0.466 -0.000 0.000 -0.000 3/14400 840.0 0.579 0.561 0.460 -0.000 0.000 -0.000 3/14400 850.0 0.573 0.555 0.455 -0.000 0.000 -0.000 3/14400 860.0 0.566 0.548 0.449 -0.000 0.000 -0.000 3/14400 870.0 0.559 0.542 0.444 -0.000 0.000 -0.000 3/14400 880.0 0.553 0.536 0.439 -0.000 0.000 -0.000 3/14400 890.0 0.547 0.530 0.434 -0.000 0.000 -0.000 3/14400 900.0 0.541 0.524 0.429 -0.000 0.000 -0.000 3/14400 910.0 0.535 0.518 0.425 -0.000 0.000 -0.000 3/14400 920.0 0.529 0.513 0.420 -0.000 0.000 -0.000 3/14400 930.0 0.523 0.507 0.416 -0.000 0.000 -0.000 3/14400 940.0 0.518 0.502 0.411 -0.000 0.000 -0.000 3/14400 950.0 0.512 0.497 0.407 -0.000 0.000 -0.000 3/14400 960.0 0.507 0.491 0.403 -0.000 0.000 -0.000 3/14400 970.0 0.502 0.486 0.398 -0.000 0.000 -0.000 3/14400 980.0 0.497 0.481 0.394 -0.000 0.000 -0.000 3/14400 990.0 0.492 0.476 0.390 -0.000 0.000 -0.000 3/14400 1000.0 0.487 0.472 0.386 -0.000 0.000 -0.000 3/14400 Thermal conductivity related properties were written into "kappa-m10108.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:45:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|