----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:24:48]------------------------- 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: [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.083706623399012 0.000000000000000 0.000000000000000 b 0.000000000000000 7.875046720000000 0.000000000000000 c -2.074296529736524 0.000000000000000 6.088994466841424 Atomic positions (fractional): *1 S 0.80113508887717 0.12821254299132 0.27634046608743 32.065 2 S 0.19886491112283 0.62821254299132 0.22365953391257 32.065 3 S 0.19886491112283 0.87178745700868 0.72365953391257 32.065 4 S 0.80113508887717 0.37178745700868 0.77634046608743 32.065 *5 Ag 0.61409824466632 0.84889425975989 0.40597295222246 107.868 6 Ag 0.38590175533368 0.34889425975989 0.09402704777754 107.868 7 Ag 0.61409824466632 0.65110574024011 0.90597295222246 107.868 8 Ag 0.38590175533368 0.15110574024011 0.59402704777754 107.868 *9 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 10 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.083706623399012 0.000000000000000 0.000000000000000 b 0.000000000000000 7.875046720000000 0.000000000000000 c -2.074296529736524 0.000000000000000 6.088994466841424 Atomic positions (fractional): *1 S 0.80113508887717 0.12821254299132 0.27634046608743 32.065 > 1 2 S 0.19886491112283 0.62821254299132 0.22365953391257 32.065 > 2 3 S 0.19886491112283 0.87178745700868 0.72365953391257 32.065 > 3 4 S 0.80113508887717 0.37178745700868 0.77634046608743 32.065 > 4 *5 Ag 0.61409824466632 0.84889425975989 0.40597295222246 107.868 > 5 6 Ag 0.38590175533368 0.34889425975989 0.09402704777754 107.868 > 6 7 Ag 0.61409824466632 0.65110574024011 0.90597295222246 107.868 > 7 8 Ag 0.38590175533368 0.15110574024011 0.59402704777754 107.868 > 8 *9 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 9 10 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.251119870197035 0.000000000000000 0.000000000000000 b 0.000000000000000 15.750093440000001 0.000000000000000 c -4.148593059473048 0.000000000000000 12.177988933682848 Atomic positions (fractional): *1 S 0.26704502962572 0.06410627149566 0.13817023304371 32.065 > 1 2 S 0.60037836295906 0.06410627149566 0.13817023304371 32.065 > 1 3 S 0.93371169629239 0.06410627149566 0.13817023304371 32.065 > 1 4 S 0.26704502962572 0.56410627149566 0.13817023304371 32.065 > 1 5 S 0.60037836295906 0.56410627149566 0.13817023304371 32.065 > 1 6 S 0.93371169629239 0.56410627149566 0.13817023304371 32.065 > 1 7 S 0.26704502962572 0.06410627149566 0.63817023304371 32.065 > 1 8 S 0.60037836295906 0.06410627149566 0.63817023304371 32.065 > 1 9 S 0.93371169629239 0.06410627149566 0.63817023304371 32.065 > 1 10 S 0.26704502962572 0.56410627149566 0.63817023304371 32.065 > 1 11 S 0.60037836295906 0.56410627149566 0.63817023304371 32.065 > 1 12 S 0.93371169629239 0.56410627149566 0.63817023304371 32.065 > 1 13 S 0.06628830370761 0.31410627149566 0.11182976695629 32.065 > 2 14 S 0.39962163704094 0.31410627149566 0.11182976695629 32.065 > 2 15 S 0.73295497037428 0.31410627149566 0.11182976695629 32.065 > 2 16 S 0.06628830370761 0.81410627149566 0.11182976695629 32.065 > 2 17 S 0.39962163704094 0.81410627149566 0.11182976695629 32.065 > 2 18 S 0.73295497037428 0.81410627149566 0.11182976695629 32.065 > 2 19 S 0.06628830370761 0.31410627149566 0.61182976695629 32.065 > 2 20 S 0.39962163704094 0.31410627149566 0.61182976695629 32.065 > 2 21 S 0.73295497037428 0.31410627149566 0.61182976695629 32.065 > 2 22 S 0.06628830370761 0.81410627149566 0.61182976695629 32.065 > 2 23 S 0.39962163704094 0.81410627149566 0.61182976695629 32.065 > 2 24 S 0.73295497037428 0.81410627149566 0.61182976695629 32.065 > 2 25 S 0.06628830370761 0.43589372850434 0.36182976695629 32.065 > 3 26 S 0.39962163704094 0.43589372850434 0.36182976695629 32.065 > 3 27 S 0.73295497037428 0.43589372850434 0.36182976695629 32.065 > 3 28 S 0.06628830370761 0.93589372850434 0.36182976695629 32.065 > 3 29 S 0.39962163704094 0.93589372850434 0.36182976695629 32.065 > 3 30 S 0.73295497037428 0.93589372850434 0.36182976695629 32.065 > 3 31 S 0.06628830370761 0.43589372850434 0.86182976695629 32.065 > 3 32 S 0.39962163704094 0.43589372850434 0.86182976695629 32.065 > 3 33 S 0.73295497037428 0.43589372850434 0.86182976695629 32.065 > 3 34 S 0.06628830370761 0.93589372850434 0.86182976695629 32.065 > 3 35 S 0.39962163704094 0.93589372850434 0.86182976695629 32.065 > 3 36 S 0.73295497037428 0.93589372850434 0.86182976695629 32.065 > 3 37 S 0.26704502962572 0.18589372850434 0.38817023304371 32.065 > 4 38 S 0.60037836295906 0.18589372850434 0.38817023304371 32.065 > 4 39 S 0.93371169629239 0.18589372850434 0.38817023304371 32.065 > 4 40 S 0.26704502962572 0.68589372850434 0.38817023304371 32.065 > 4 41 S 0.60037836295906 0.68589372850434 0.38817023304371 32.065 > 4 42 S 0.93371169629239 0.68589372850434 0.38817023304371 32.065 > 4 43 S 0.26704502962572 0.18589372850434 0.88817023304371 32.065 > 4 44 S 0.60037836295906 0.18589372850434 0.88817023304371 32.065 > 4 45 S 0.93371169629239 0.18589372850434 0.88817023304371 32.065 > 4 46 S 0.26704502962572 0.68589372850434 0.88817023304371 32.065 > 4 47 S 0.60037836295906 0.68589372850434 0.88817023304371 32.065 > 4 48 S 0.93371169629239 0.68589372850434 0.88817023304371 32.065 > 4 *49 Ag 0.20469941488877 0.42444712987994 0.20298647611123 107.868 > 5 50 Ag 0.53803274822211 0.42444712987994 0.20298647611123 107.868 > 5 51 Ag 0.87136608155544 0.42444712987994 0.20298647611123 107.868 > 5 52 Ag 0.20469941488877 0.92444712987994 0.20298647611123 107.868 > 5 53 Ag 0.53803274822211 0.92444712987994 0.20298647611123 107.868 > 5 54 Ag 0.87136608155544 0.92444712987994 0.20298647611123 107.868 > 5 55 Ag 0.20469941488877 0.42444712987994 0.70298647611123 107.868 > 5 56 Ag 0.53803274822211 0.42444712987994 0.70298647611123 107.868 > 5 57 Ag 0.87136608155544 0.42444712987994 0.70298647611123 107.868 > 5 58 Ag 0.20469941488877 0.92444712987994 0.70298647611123 107.868 > 5 59 Ag 0.53803274822211 0.92444712987994 0.70298647611123 107.868 > 5 60 Ag 0.87136608155544 0.92444712987994 0.70298647611123 107.868 > 5 61 Ag 0.12863391844456 0.17444712987994 0.04701352388877 107.868 > 6 62 Ag 0.46196725177789 0.17444712987994 0.04701352388877 107.868 > 6 63 Ag 0.79530058511123 0.17444712987994 0.04701352388877 107.868 > 6 64 Ag 0.12863391844456 0.67444712987994 0.04701352388877 107.868 > 6 65 Ag 0.46196725177789 0.67444712987994 0.04701352388877 107.868 > 6 66 Ag 0.79530058511123 0.67444712987994 0.04701352388877 107.868 > 6 67 Ag 0.12863391844456 0.17444712987994 0.54701352388877 107.868 > 6 68 Ag 0.46196725177789 0.17444712987994 0.54701352388877 107.868 > 6 69 Ag 0.79530058511123 0.17444712987994 0.54701352388877 107.868 > 6 70 Ag 0.12863391844456 0.67444712987994 0.54701352388877 107.868 > 6 71 Ag 0.46196725177789 0.67444712987994 0.54701352388877 107.868 > 6 72 Ag 0.79530058511123 0.67444712987994 0.54701352388877 107.868 > 6 73 Ag 0.20469941488877 0.32555287012006 0.45298647611123 107.868 > 7 74 Ag 0.53803274822211 0.32555287012006 0.45298647611123 107.868 > 7 75 Ag 0.87136608155544 0.32555287012006 0.45298647611123 107.868 > 7 76 Ag 0.20469941488877 0.82555287012006 0.45298647611123 107.868 > 7 77 Ag 0.53803274822211 0.82555287012006 0.45298647611123 107.868 > 7 78 Ag 0.87136608155544 0.82555287012006 0.45298647611123 107.868 > 7 79 Ag 0.20469941488877 0.32555287012006 0.95298647611123 107.868 > 7 80 Ag 0.53803274822211 0.32555287012006 0.95298647611123 107.868 > 7 81 Ag 0.87136608155544 0.32555287012006 0.95298647611123 107.868 > 7 82 Ag 0.20469941488877 0.82555287012006 0.95298647611123 107.868 > 7 83 Ag 0.53803274822211 0.82555287012006 0.95298647611123 107.868 > 7 84 Ag 0.87136608155544 0.82555287012006 0.95298647611123 107.868 > 7 85 Ag 0.12863391844456 0.07555287012006 0.29701352388877 107.868 > 8 86 Ag 0.46196725177789 0.07555287012006 0.29701352388877 107.868 > 8 87 Ag 0.79530058511123 0.07555287012006 0.29701352388877 107.868 > 8 88 Ag 0.12863391844456 0.57555287012006 0.29701352388877 107.868 > 8 89 Ag 0.46196725177789 0.57555287012006 0.29701352388877 107.868 > 8 90 Ag 0.79530058511123 0.57555287012006 0.29701352388877 107.868 > 8 91 Ag 0.12863391844456 0.07555287012006 0.79701352388877 107.868 > 8 92 Ag 0.46196725177789 0.07555287012006 0.79701352388877 107.868 > 8 93 Ag 0.79530058511123 0.07555287012006 0.79701352388877 107.868 > 8 94 Ag 0.12863391844456 0.57555287012006 0.79701352388877 107.868 > 8 95 Ag 0.46196725177789 0.57555287012006 0.79701352388877 107.868 > 8 96 Ag 0.79530058511123 0.57555287012006 0.79701352388877 107.868 > 8 *97 Hg 0.00000000000000 0.25000000000000 0.25000000000000 200.590 > 9 98 Hg 0.33333333333333 0.25000000000000 0.25000000000000 200.590 > 9 99 Hg 0.66666666666667 0.25000000000000 0.25000000000000 200.590 > 9 100 Hg 0.00000000000000 0.75000000000000 0.25000000000000 200.590 > 9 101 Hg 0.33333333333333 0.75000000000000 0.25000000000000 200.590 > 9 102 Hg 0.66666666666667 0.75000000000000 0.25000000000000 200.590 > 9 103 Hg 0.00000000000000 0.25000000000000 0.75000000000000 200.590 > 9 104 Hg 0.33333333333333 0.25000000000000 0.75000000000000 200.590 > 9 105 Hg 0.66666666666667 0.25000000000000 0.75000000000000 200.590 > 9 106 Hg 0.00000000000000 0.75000000000000 0.75000000000000 200.590 > 9 107 Hg 0.33333333333333 0.75000000000000 0.75000000000000 200.590 > 9 108 Hg 0.66666666666667 0.75000000000000 0.75000000000000 200.590 > 9 109 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 10 110 Hg 0.33333333333333 0.00000000000000 0.00000000000000 200.590 > 10 111 Hg 0.66666666666667 0.00000000000000 0.00000000000000 200.590 > 10 112 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 10 113 Hg 0.33333333333333 0.50000000000000 0.00000000000000 200.590 > 10 114 Hg 0.66666666666667 0.50000000000000 0.00000000000000 200.590 > 10 115 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 10 116 Hg 0.33333333333333 0.00000000000000 0.50000000000000 200.590 > 10 117 Hg 0.66666666666667 0.00000000000000 0.50000000000000 200.590 > 10 118 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 10 119 Hg 0.33333333333333 0.50000000000000 0.50000000000000 200.590 > 10 120 Hg 0.66666666666667 0.50000000000000 0.50000000000000 200.590 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.6646608 0.0000000 -1.1808861 0.0000000 13.2351594 0.0000000 -1.1808810 0.0000000 18.0307693 -------------------------- Born effective charges -------------------------- 1 S -2.0645534 -0.0243871 0.3010756 -0.0430291 -1.8585438 -0.2456384 0.0692228 0.0110399 -2.3699287 2 S -2.0645534 0.0243871 0.3010756 0.0430291 -1.8585438 0.2456384 0.0692228 -0.0110399 -2.3699287 3 S -2.0645534 -0.0243871 0.3010756 -0.0430291 -1.8585438 -0.2456384 0.0692228 0.0110399 -2.3699287 4 S -2.0645534 0.0243871 0.3010756 0.0430291 -1.8585438 0.2456384 0.0692228 -0.0110399 -2.3699287 5 Ag 0.9885148 0.2671014 -0.1244141 0.3251503 0.9581843 -0.0095380 0.1903798 -0.1337505 1.4127975 6 Ag 0.9885148 -0.2671014 -0.1244141 -0.3251503 0.9581843 0.0095380 0.1903798 0.1337505 1.4127975 7 Ag 0.9885148 -0.2671014 -0.1244141 -0.3251503 0.9581843 0.0095380 0.1903798 0.1337505 1.4127975 8 Ag 0.9885148 0.2671014 -0.1244141 0.3251503 0.9581843 -0.0095380 0.1903798 -0.1337505 1.4127975 9 Hg 2.1520771 0.2575063 -0.3533230 0.2791825 1.8007190 -0.3545090 -0.5192051 -0.3437440 1.9142625 10 Hg 2.1520771 -0.2575063 -0.3533230 -0.2791825 1.8007190 0.3545090 -0.5192051 0.3437440 1.9142625 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1419 Number of blocks in projector: 1419 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: 302 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 171 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 171 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 171 Use standard eigh solver. Tree of FC basis block matrices: - (1419, 1393), data: False |-- (171, 168), data: True |-- (171, 168), data: True |-- (171, 168), data: True |-- (302, 297), data: True |-- (302, 296), data: True |-- (302, 296), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.076 Solver_block: 200 / 320 - Time: 2.097 Solver_block: 300 / 320 - Time: 2.116 Solver_block: 320 / 320 - Time: 0.507 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.889 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1419 Number of blocks in projector: 1419 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: 302 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 171 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 171 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 171 Use standard eigh solver. Tree of FC basis block matrices: - (1419, 1393), data: False |-- (171, 168), data: True |-- (171, 168), data: True |-- (171, 168), data: True |-- (302, 297), data: True |-- (302, 296), data: True |-- (302, 296), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:25:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:25:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.083706623399012 0.000000000000000 0.000000000000000 b 0.000000000000000 7.875046720000000 0.000000000000000 c -2.074296529736524 0.000000000000000 6.088994466841424 Atomic positions (fractional): 1 S 0.80113508887717 0.12821254299132 0.27634046608743 32.065 2 S 0.19886491112283 0.62821254299132 0.22365953391257 32.065 3 S 0.19886491112283 0.87178745700868 0.72365953391257 32.065 4 S 0.80113508887717 0.37178745700868 0.77634046608743 32.065 5 Ag 0.61409824466632 0.84889425975989 0.40597295222246 107.868 6 Ag 0.38590175533368 0.34889425975989 0.09402704777754 107.868 7 Ag 0.61409824466632 0.65110574024011 0.90597295222246 107.868 8 Ag 0.38590175533368 0.15110574024011 0.59402704777754 107.868 9 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 10 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.251119870197035 0.000000000000000 0.000000000000000 b 0.000000000000000 15.750093440000001 0.000000000000000 c -4.148593059473048 0.000000000000000 12.177988933682848 Atomic positions (fractional): 1 S 0.26704502962572 0.06410627149566 0.13817023304371 32.065 > 1 2 S 0.60037836295906 0.06410627149566 0.13817023304371 32.065 > 1 3 S 0.93371169629239 0.06410627149566 0.13817023304371 32.065 > 1 4 S 0.26704502962572 0.56410627149566 0.13817023304371 32.065 > 1 5 S 0.60037836295906 0.56410627149566 0.13817023304371 32.065 > 1 6 S 0.93371169629239 0.56410627149566 0.13817023304371 32.065 > 1 7 S 0.26704502962572 0.06410627149566 0.63817023304371 32.065 > 1 8 S 0.60037836295906 0.06410627149566 0.63817023304371 32.065 > 1 9 S 0.93371169629239 0.06410627149566 0.63817023304371 32.065 > 1 10 S 0.26704502962572 0.56410627149566 0.63817023304371 32.065 > 1 11 S 0.60037836295906 0.56410627149566 0.63817023304371 32.065 > 1 12 S 0.93371169629239 0.56410627149566 0.63817023304371 32.065 > 1 13 S 0.06628830370761 0.31410627149566 0.11182976695629 32.065 > 13 14 S 0.39962163704094 0.31410627149566 0.11182976695629 32.065 > 13 15 S 0.73295497037428 0.31410627149566 0.11182976695629 32.065 > 13 16 S 0.06628830370761 0.81410627149566 0.11182976695629 32.065 > 13 17 S 0.39962163704094 0.81410627149566 0.11182976695629 32.065 > 13 18 S 0.73295497037428 0.81410627149566 0.11182976695629 32.065 > 13 19 S 0.06628830370761 0.31410627149566 0.61182976695629 32.065 > 13 20 S 0.39962163704094 0.31410627149566 0.61182976695629 32.065 > 13 21 S 0.73295497037428 0.31410627149566 0.61182976695629 32.065 > 13 22 S 0.06628830370761 0.81410627149566 0.61182976695629 32.065 > 13 23 S 0.39962163704094 0.81410627149566 0.61182976695629 32.065 > 13 24 S 0.73295497037428 0.81410627149566 0.61182976695629 32.065 > 13 25 S 0.06628830370761 0.43589372850434 0.36182976695629 32.065 > 25 26 S 0.39962163704094 0.43589372850434 0.36182976695629 32.065 > 25 27 S 0.73295497037428 0.43589372850434 0.36182976695629 32.065 > 25 28 S 0.06628830370761 0.93589372850434 0.36182976695629 32.065 > 25 29 S 0.39962163704094 0.93589372850434 0.36182976695629 32.065 > 25 30 S 0.73295497037428 0.93589372850434 0.36182976695629 32.065 > 25 31 S 0.06628830370761 0.43589372850434 0.86182976695629 32.065 > 25 32 S 0.39962163704094 0.43589372850434 0.86182976695629 32.065 > 25 33 S 0.73295497037428 0.43589372850434 0.86182976695629 32.065 > 25 34 S 0.06628830370761 0.93589372850434 0.86182976695629 32.065 > 25 35 S 0.39962163704094 0.93589372850434 0.86182976695629 32.065 > 25 36 S 0.73295497037428 0.93589372850434 0.86182976695629 32.065 > 25 37 S 0.26704502962572 0.18589372850434 0.38817023304371 32.065 > 37 38 S 0.60037836295906 0.18589372850434 0.38817023304371 32.065 > 37 39 S 0.93371169629239 0.18589372850434 0.38817023304371 32.065 > 37 40 S 0.26704502962572 0.68589372850434 0.38817023304371 32.065 > 37 41 S 0.60037836295906 0.68589372850434 0.38817023304371 32.065 > 37 42 S 0.93371169629239 0.68589372850434 0.38817023304371 32.065 > 37 43 S 0.26704502962572 0.18589372850434 0.88817023304371 32.065 > 37 44 S 0.60037836295906 0.18589372850434 0.88817023304371 32.065 > 37 45 S 0.93371169629239 0.18589372850434 0.88817023304371 32.065 > 37 46 S 0.26704502962572 0.68589372850434 0.88817023304371 32.065 > 37 47 S 0.60037836295906 0.68589372850434 0.88817023304371 32.065 > 37 48 S 0.93371169629239 0.68589372850434 0.88817023304371 32.065 > 37 49 Ag 0.20469941488877 0.42444712987994 0.20298647611123 107.868 > 49 50 Ag 0.53803274822211 0.42444712987994 0.20298647611123 107.868 > 49 51 Ag 0.87136608155544 0.42444712987994 0.20298647611123 107.868 > 49 52 Ag 0.20469941488877 0.92444712987994 0.20298647611123 107.868 > 49 53 Ag 0.53803274822211 0.92444712987994 0.20298647611123 107.868 > 49 54 Ag 0.87136608155544 0.92444712987994 0.20298647611123 107.868 > 49 55 Ag 0.20469941488877 0.42444712987994 0.70298647611123 107.868 > 49 56 Ag 0.53803274822211 0.42444712987994 0.70298647611123 107.868 > 49 57 Ag 0.87136608155544 0.42444712987994 0.70298647611123 107.868 > 49 58 Ag 0.20469941488877 0.92444712987994 0.70298647611123 107.868 > 49 59 Ag 0.53803274822211 0.92444712987994 0.70298647611123 107.868 > 49 60 Ag 0.87136608155544 0.92444712987994 0.70298647611123 107.868 > 49 61 Ag 0.12863391844456 0.17444712987994 0.04701352388877 107.868 > 61 62 Ag 0.46196725177789 0.17444712987994 0.04701352388877 107.868 > 61 63 Ag 0.79530058511123 0.17444712987994 0.04701352388877 107.868 > 61 64 Ag 0.12863391844456 0.67444712987994 0.04701352388877 107.868 > 61 65 Ag 0.46196725177789 0.67444712987994 0.04701352388877 107.868 > 61 66 Ag 0.79530058511123 0.67444712987994 0.04701352388877 107.868 > 61 67 Ag 0.12863391844456 0.17444712987994 0.54701352388877 107.868 > 61 68 Ag 0.46196725177789 0.17444712987994 0.54701352388877 107.868 > 61 69 Ag 0.79530058511123 0.17444712987994 0.54701352388877 107.868 > 61 70 Ag 0.12863391844456 0.67444712987994 0.54701352388877 107.868 > 61 71 Ag 0.46196725177789 0.67444712987994 0.54701352388877 107.868 > 61 72 Ag 0.79530058511123 0.67444712987994 0.54701352388877 107.868 > 61 73 Ag 0.20469941488877 0.32555287012006 0.45298647611123 107.868 > 73 74 Ag 0.53803274822211 0.32555287012006 0.45298647611123 107.868 > 73 75 Ag 0.87136608155544 0.32555287012006 0.45298647611123 107.868 > 73 76 Ag 0.20469941488877 0.82555287012006 0.45298647611123 107.868 > 73 77 Ag 0.53803274822211 0.82555287012006 0.45298647611123 107.868 > 73 78 Ag 0.87136608155544 0.82555287012006 0.45298647611123 107.868 > 73 79 Ag 0.20469941488877 0.32555287012006 0.95298647611123 107.868 > 73 80 Ag 0.53803274822211 0.32555287012006 0.95298647611123 107.868 > 73 81 Ag 0.87136608155544 0.32555287012006 0.95298647611123 107.868 > 73 82 Ag 0.20469941488877 0.82555287012006 0.95298647611123 107.868 > 73 83 Ag 0.53803274822211 0.82555287012006 0.95298647611123 107.868 > 73 84 Ag 0.87136608155544 0.82555287012006 0.95298647611123 107.868 > 73 85 Ag 0.12863391844456 0.07555287012006 0.29701352388877 107.868 > 85 86 Ag 0.46196725177789 0.07555287012006 0.29701352388877 107.868 > 85 87 Ag 0.79530058511123 0.07555287012006 0.29701352388877 107.868 > 85 88 Ag 0.12863391844456 0.57555287012006 0.29701352388877 107.868 > 85 89 Ag 0.46196725177789 0.57555287012006 0.29701352388877 107.868 > 85 90 Ag 0.79530058511123 0.57555287012006 0.29701352388877 107.868 > 85 91 Ag 0.12863391844456 0.07555287012006 0.79701352388877 107.868 > 85 92 Ag 0.46196725177789 0.07555287012006 0.79701352388877 107.868 > 85 93 Ag 0.79530058511123 0.07555287012006 0.79701352388877 107.868 > 85 94 Ag 0.12863391844456 0.57555287012006 0.79701352388877 107.868 > 85 95 Ag 0.46196725177789 0.57555287012006 0.79701352388877 107.868 > 85 96 Ag 0.79530058511123 0.57555287012006 0.79701352388877 107.868 > 85 97 Hg 0.00000000000000 0.25000000000000 0.25000000000000 200.590 > 97 98 Hg 0.33333333333333 0.25000000000000 0.25000000000000 200.590 > 97 99 Hg 0.66666666666667 0.25000000000000 0.25000000000000 200.590 > 97 100 Hg 0.00000000000000 0.75000000000000 0.25000000000000 200.590 > 97 101 Hg 0.33333333333333 0.75000000000000 0.25000000000000 200.590 > 97 102 Hg 0.66666666666667 0.75000000000000 0.25000000000000 200.590 > 97 103 Hg 0.00000000000000 0.25000000000000 0.75000000000000 200.590 > 97 104 Hg 0.33333333333333 0.25000000000000 0.75000000000000 200.590 > 97 105 Hg 0.66666666666667 0.25000000000000 0.75000000000000 200.590 > 97 106 Hg 0.00000000000000 0.75000000000000 0.75000000000000 200.590 > 97 107 Hg 0.33333333333333 0.75000000000000 0.75000000000000 200.590 > 97 108 Hg 0.66666666666667 0.75000000000000 0.75000000000000 200.590 > 97 109 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 109 110 Hg 0.33333333333333 0.00000000000000 0.00000000000000 200.590 > 109 111 Hg 0.66666666666667 0.00000000000000 0.00000000000000 200.590 > 109 112 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 109 113 Hg 0.33333333333333 0.50000000000000 0.00000000000000 200.590 > 109 114 Hg 0.66666666666667 0.50000000000000 0.00000000000000 200.590 > 109 115 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 109 116 Hg 0.33333333333333 0.00000000000000 0.50000000000000 200.590 > 109 117 Hg 0.66666666666667 0.00000000000000 0.50000000000000 200.590 > 109 118 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 109 119 Hg 0.33333333333333 0.50000000000000 0.50000000000000 200.590 > 109 120 Hg 0.66666666666667 0.50000000000000 0.50000000000000 200.590 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.6646608 0.0000000 -1.1808861 0.0000000 13.2351594 0.0000000 -1.1808810 0.0000000 18.0307693 -------------------------- Born effective charges -------------------------- 1 S -2.0645534 -0.0243871 0.3010756 -0.0430291 -1.8585438 -0.2456384 0.0692228 0.0110399 -2.3699287 2 S -2.0645534 0.0243871 0.3010756 0.0430291 -1.8585438 0.2456384 0.0692228 -0.0110399 -2.3699287 3 S -2.0645534 -0.0243871 0.3010756 -0.0430291 -1.8585438 -0.2456384 0.0692228 0.0110399 -2.3699287 4 S -2.0645534 0.0243871 0.3010756 0.0430291 -1.8585438 0.2456384 0.0692228 -0.0110399 -2.3699287 5 Ag 0.9885148 0.2671014 -0.1244141 0.3251503 0.9581843 -0.0095380 0.1903798 -0.1337505 1.4127975 6 Ag 0.9885148 -0.2671014 -0.1244141 -0.3251503 0.9581843 0.0095380 0.1903798 0.1337505 1.4127975 7 Ag 0.9885148 -0.2671014 -0.1244141 -0.3251503 0.9581843 0.0095380 0.1903798 0.1337505 1.4127975 8 Ag 0.9885148 0.2671014 -0.1244141 0.3251503 0.9581843 -0.0095380 0.1903798 -0.1337505 1.4127975 9 Hg 2.1520771 0.2575063 -0.3533230 0.2791825 1.8007190 -0.3545090 -0.5192051 -0.3437440 1.9142625 10 Hg 2.1520771 -0.2575063 -0.3533230 -0.2791825 1.8007190 0.3545090 -0.5192051 0.3437440 1.9142625 ---------------------------------------------------------------------------- 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 49, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:25:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:25:27]------------------------- 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): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.083706623399012 0.000000000000000 0.000000000000000 b 0.000000000000000 7.875046720000000 0.000000000000000 c -2.074296529736524 0.000000000000000 6.088994466841424 Atomic positions (fractional): 1 S 0.80113508887717 0.12821254299132 0.27634046608743 32.065 2 S 0.19886491112283 0.62821254299132 0.22365953391257 32.065 3 S 0.19886491112283 0.87178745700868 0.72365953391257 32.065 4 S 0.80113508887717 0.37178745700868 0.77634046608743 32.065 5 Ag 0.61409824466632 0.84889425975989 0.40597295222246 107.868 6 Ag 0.38590175533368 0.34889425975989 0.09402704777754 107.868 7 Ag 0.61409824466632 0.65110574024011 0.90597295222246 107.868 8 Ag 0.38590175533368 0.15110574024011 0.59402704777754 107.868 9 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 10 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.251119870197035 0.000000000000000 0.000000000000000 b 0.000000000000000 15.750093440000001 0.000000000000000 c -4.148593059473048 0.000000000000000 12.177988933682848 Atomic positions (fractional): 1 S 0.26704502962572 0.06410627149566 0.13817023304371 32.065 > 1 2 S 0.60037836295906 0.06410627149566 0.13817023304371 32.065 > 1 3 S 0.93371169629239 0.06410627149566 0.13817023304371 32.065 > 1 4 S 0.26704502962572 0.56410627149566 0.13817023304371 32.065 > 1 5 S 0.60037836295906 0.56410627149566 0.13817023304371 32.065 > 1 6 S 0.93371169629239 0.56410627149566 0.13817023304371 32.065 > 1 7 S 0.26704502962572 0.06410627149566 0.63817023304371 32.065 > 1 8 S 0.60037836295906 0.06410627149566 0.63817023304371 32.065 > 1 9 S 0.93371169629239 0.06410627149566 0.63817023304371 32.065 > 1 10 S 0.26704502962572 0.56410627149566 0.63817023304371 32.065 > 1 11 S 0.60037836295906 0.56410627149566 0.63817023304371 32.065 > 1 12 S 0.93371169629239 0.56410627149566 0.63817023304371 32.065 > 1 13 S 0.06628830370761 0.31410627149566 0.11182976695629 32.065 > 13 14 S 0.39962163704094 0.31410627149566 0.11182976695629 32.065 > 13 15 S 0.73295497037428 0.31410627149566 0.11182976695629 32.065 > 13 16 S 0.06628830370761 0.81410627149566 0.11182976695629 32.065 > 13 17 S 0.39962163704094 0.81410627149566 0.11182976695629 32.065 > 13 18 S 0.73295497037428 0.81410627149566 0.11182976695629 32.065 > 13 19 S 0.06628830370761 0.31410627149566 0.61182976695629 32.065 > 13 20 S 0.39962163704094 0.31410627149566 0.61182976695629 32.065 > 13 21 S 0.73295497037428 0.31410627149566 0.61182976695629 32.065 > 13 22 S 0.06628830370761 0.81410627149566 0.61182976695629 32.065 > 13 23 S 0.39962163704094 0.81410627149566 0.61182976695629 32.065 > 13 24 S 0.73295497037428 0.81410627149566 0.61182976695629 32.065 > 13 25 S 0.06628830370761 0.43589372850434 0.36182976695629 32.065 > 25 26 S 0.39962163704094 0.43589372850434 0.36182976695629 32.065 > 25 27 S 0.73295497037428 0.43589372850434 0.36182976695629 32.065 > 25 28 S 0.06628830370761 0.93589372850434 0.36182976695629 32.065 > 25 29 S 0.39962163704094 0.93589372850434 0.36182976695629 32.065 > 25 30 S 0.73295497037428 0.93589372850434 0.36182976695629 32.065 > 25 31 S 0.06628830370761 0.43589372850434 0.86182976695629 32.065 > 25 32 S 0.39962163704094 0.43589372850434 0.86182976695629 32.065 > 25 33 S 0.73295497037428 0.43589372850434 0.86182976695629 32.065 > 25 34 S 0.06628830370761 0.93589372850434 0.86182976695629 32.065 > 25 35 S 0.39962163704094 0.93589372850434 0.86182976695629 32.065 > 25 36 S 0.73295497037428 0.93589372850434 0.86182976695629 32.065 > 25 37 S 0.26704502962572 0.18589372850434 0.38817023304371 32.065 > 37 38 S 0.60037836295906 0.18589372850434 0.38817023304371 32.065 > 37 39 S 0.93371169629239 0.18589372850434 0.38817023304371 32.065 > 37 40 S 0.26704502962572 0.68589372850434 0.38817023304371 32.065 > 37 41 S 0.60037836295906 0.68589372850434 0.38817023304371 32.065 > 37 42 S 0.93371169629239 0.68589372850434 0.38817023304371 32.065 > 37 43 S 0.26704502962572 0.18589372850434 0.88817023304371 32.065 > 37 44 S 0.60037836295906 0.18589372850434 0.88817023304371 32.065 > 37 45 S 0.93371169629239 0.18589372850434 0.88817023304371 32.065 > 37 46 S 0.26704502962572 0.68589372850434 0.88817023304371 32.065 > 37 47 S 0.60037836295906 0.68589372850434 0.88817023304371 32.065 > 37 48 S 0.93371169629239 0.68589372850434 0.88817023304371 32.065 > 37 49 Ag 0.20469941488877 0.42444712987994 0.20298647611123 107.868 > 49 50 Ag 0.53803274822211 0.42444712987994 0.20298647611123 107.868 > 49 51 Ag 0.87136608155544 0.42444712987994 0.20298647611123 107.868 > 49 52 Ag 0.20469941488877 0.92444712987994 0.20298647611123 107.868 > 49 53 Ag 0.53803274822211 0.92444712987994 0.20298647611123 107.868 > 49 54 Ag 0.87136608155544 0.92444712987994 0.20298647611123 107.868 > 49 55 Ag 0.20469941488877 0.42444712987994 0.70298647611123 107.868 > 49 56 Ag 0.53803274822211 0.42444712987994 0.70298647611123 107.868 > 49 57 Ag 0.87136608155544 0.42444712987994 0.70298647611123 107.868 > 49 58 Ag 0.20469941488877 0.92444712987994 0.70298647611123 107.868 > 49 59 Ag 0.53803274822211 0.92444712987994 0.70298647611123 107.868 > 49 60 Ag 0.87136608155544 0.92444712987994 0.70298647611123 107.868 > 49 61 Ag 0.12863391844456 0.17444712987994 0.04701352388877 107.868 > 61 62 Ag 0.46196725177789 0.17444712987994 0.04701352388877 107.868 > 61 63 Ag 0.79530058511123 0.17444712987994 0.04701352388877 107.868 > 61 64 Ag 0.12863391844456 0.67444712987994 0.04701352388877 107.868 > 61 65 Ag 0.46196725177789 0.67444712987994 0.04701352388877 107.868 > 61 66 Ag 0.79530058511123 0.67444712987994 0.04701352388877 107.868 > 61 67 Ag 0.12863391844456 0.17444712987994 0.54701352388877 107.868 > 61 68 Ag 0.46196725177789 0.17444712987994 0.54701352388877 107.868 > 61 69 Ag 0.79530058511123 0.17444712987994 0.54701352388877 107.868 > 61 70 Ag 0.12863391844456 0.67444712987994 0.54701352388877 107.868 > 61 71 Ag 0.46196725177789 0.67444712987994 0.54701352388877 107.868 > 61 72 Ag 0.79530058511123 0.67444712987994 0.54701352388877 107.868 > 61 73 Ag 0.20469941488877 0.32555287012006 0.45298647611123 107.868 > 73 74 Ag 0.53803274822211 0.32555287012006 0.45298647611123 107.868 > 73 75 Ag 0.87136608155544 0.32555287012006 0.45298647611123 107.868 > 73 76 Ag 0.20469941488877 0.82555287012006 0.45298647611123 107.868 > 73 77 Ag 0.53803274822211 0.82555287012006 0.45298647611123 107.868 > 73 78 Ag 0.87136608155544 0.82555287012006 0.45298647611123 107.868 > 73 79 Ag 0.20469941488877 0.32555287012006 0.95298647611123 107.868 > 73 80 Ag 0.53803274822211 0.32555287012006 0.95298647611123 107.868 > 73 81 Ag 0.87136608155544 0.32555287012006 0.95298647611123 107.868 > 73 82 Ag 0.20469941488877 0.82555287012006 0.95298647611123 107.868 > 73 83 Ag 0.53803274822211 0.82555287012006 0.95298647611123 107.868 > 73 84 Ag 0.87136608155544 0.82555287012006 0.95298647611123 107.868 > 73 85 Ag 0.12863391844456 0.07555287012006 0.29701352388877 107.868 > 85 86 Ag 0.46196725177789 0.07555287012006 0.29701352388877 107.868 > 85 87 Ag 0.79530058511123 0.07555287012006 0.29701352388877 107.868 > 85 88 Ag 0.12863391844456 0.57555287012006 0.29701352388877 107.868 > 85 89 Ag 0.46196725177789 0.57555287012006 0.29701352388877 107.868 > 85 90 Ag 0.79530058511123 0.57555287012006 0.29701352388877 107.868 > 85 91 Ag 0.12863391844456 0.07555287012006 0.79701352388877 107.868 > 85 92 Ag 0.46196725177789 0.07555287012006 0.79701352388877 107.868 > 85 93 Ag 0.79530058511123 0.07555287012006 0.79701352388877 107.868 > 85 94 Ag 0.12863391844456 0.57555287012006 0.79701352388877 107.868 > 85 95 Ag 0.46196725177789 0.57555287012006 0.79701352388877 107.868 > 85 96 Ag 0.79530058511123 0.57555287012006 0.79701352388877 107.868 > 85 97 Hg 0.00000000000000 0.25000000000000 0.25000000000000 200.590 > 97 98 Hg 0.33333333333333 0.25000000000000 0.25000000000000 200.590 > 97 99 Hg 0.66666666666667 0.25000000000000 0.25000000000000 200.590 > 97 100 Hg 0.00000000000000 0.75000000000000 0.25000000000000 200.590 > 97 101 Hg 0.33333333333333 0.75000000000000 0.25000000000000 200.590 > 97 102 Hg 0.66666666666667 0.75000000000000 0.25000000000000 200.590 > 97 103 Hg 0.00000000000000 0.25000000000000 0.75000000000000 200.590 > 97 104 Hg 0.33333333333333 0.25000000000000 0.75000000000000 200.590 > 97 105 Hg 0.66666666666667 0.25000000000000 0.75000000000000 200.590 > 97 106 Hg 0.00000000000000 0.75000000000000 0.75000000000000 200.590 > 97 107 Hg 0.33333333333333 0.75000000000000 0.75000000000000 200.590 > 97 108 Hg 0.66666666666667 0.75000000000000 0.75000000000000 200.590 > 97 109 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 109 110 Hg 0.33333333333333 0.00000000000000 0.00000000000000 200.590 > 109 111 Hg 0.66666666666667 0.00000000000000 0.00000000000000 200.590 > 109 112 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 109 113 Hg 0.33333333333333 0.50000000000000 0.00000000000000 200.590 > 109 114 Hg 0.66666666666667 0.50000000000000 0.00000000000000 200.590 > 109 115 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 109 116 Hg 0.33333333333333 0.00000000000000 0.50000000000000 200.590 > 109 117 Hg 0.66666666666667 0.00000000000000 0.50000000000000 200.590 > 109 118 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 109 119 Hg 0.33333333333333 0.50000000000000 0.50000000000000 200.590 > 109 120 Hg 0.66666666666667 0.50000000000000 0.50000000000000 200.590 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.6646608 0.0000000 -1.1808861 0.0000000 13.2351594 0.0000000 -1.1808810 0.0000000 18.0307693 -------------------------- Born effective charges -------------------------- 1 S -2.0645534 -0.0243871 0.3010756 -0.0430291 -1.8585438 -0.2456384 0.0692228 0.0110399 -2.3699287 2 S -2.0645534 0.0243871 0.3010756 0.0430291 -1.8585438 0.2456384 0.0692228 -0.0110399 -2.3699287 3 S -2.0645534 -0.0243871 0.3010756 -0.0430291 -1.8585438 -0.2456384 0.0692228 0.0110399 -2.3699287 4 S -2.0645534 0.0243871 0.3010756 0.0430291 -1.8585438 0.2456384 0.0692228 -0.0110399 -2.3699287 5 Ag 0.9885148 0.2671014 -0.1244141 0.3251503 0.9581843 -0.0095380 0.1903798 -0.1337505 1.4127975 6 Ag 0.9885148 -0.2671014 -0.1244141 -0.3251503 0.9581843 0.0095380 0.1903798 0.1337505 1.4127975 7 Ag 0.9885148 -0.2671014 -0.1244141 -0.3251503 0.9581843 0.0095380 0.1903798 0.1337505 1.4127975 8 Ag 0.9885148 0.2671014 -0.1244141 0.3251503 0.9581843 -0.0095380 0.1903798 -0.1337505 1.4127975 9 Hg 2.1520771 0.2575063 -0.3533230 0.2791825 1.8007190 -0.3545090 -0.5192051 -0.3437440 1.9142625 10 Hg 2.1520771 -0.2575063 -0.3533230 -0.2791825 1.8007190 0.3545090 -0.5192051 0.3437440 1.9142625 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 6 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: 0.72, Number of G-points: 305, Lambda: 0.28 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/212) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 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 0.612 ( 0.000 0.000 0.000) 0.000 0.820 ( 0.000 0.000 0.000) 0.000 1.039 ( 0.000 0.000 0.000) 0.000 1.195 ( 0.000 0.000 0.000) 0.000 1.254 ( 0.000 0.000 0.000) 0.000 1.353 ( 0.000 0.000 0.000) 0.000 1.485 ( 0.000 0.000 0.000) 0.000 1.707 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 0.000) 0.000 5.926 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.195 ( 0.000 0.000 0.000) 0.000 7.042 ( 0.000 0.000 0.000) 0.000 7.362 ( 0.000 0.000 0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 8.280 ( 0.000 0.000 0.000) 0.000 8.610 ( 0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 9.547 ( 0.000 0.000 0.000) 0.000 9.599 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/212) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.242 ( 9.982 0.000 7.826) 12.684 0.338 ( 14.052 0.000 8.792) 16.576 0.617 ( -1.699 0.000 5.843) 6.085 0.671 ( 27.620 0.000 15.163) 31.509 0.847 ( 3.153 0.000 0.036) 3.153 1.097 ( 6.335 0.000 -1.558) 6.524 1.195 ( -0.587 0.000 1.583) 1.689 1.332 ( -0.667 0.000 0.129) 0.679 1.389 ( 3.947 0.000 -8.154) 9.059 1.491 ( 0.643 0.000 -0.111) 0.653 1.862 ( 4.305 0.000 -5.279) 6.812 1.945 ( -1.036 0.000 0.523) 1.161 1.980 ( -0.994 0.000 0.866) 1.318 2.058 ( 1.774 0.000 0.275) 1.795 2.325 ( 0.068 0.000 -1.263) 1.265 2.869 ( -4.359 0.000 -0.598) 4.400 2.890 ( 1.487 0.000 17.063) 17.127 4.000 ( -4.340 0.000 -6.652) 7.942 5.352 ( 6.209 0.000 1.178) 6.320 5.806 ( -6.164 0.000 -6.377) 8.869 6.220 ( 7.981 0.000 3.440) 8.691 6.619 ( 6.277 0.000 -17.921) 18.988 7.173 ( -14.001 0.000 37.408) 39.942 7.327 ( -2.290 0.000 -2.882) 3.681 7.779 ( 3.119 0.000 -4.586) 5.546 8.335 ( 3.842 0.000 4.893) 6.221 8.600 ( -1.678 0.000 2.063) 2.659 8.953 ( -2.356 0.000 -2.585) 3.498 9.626 ( 3.256 0.000 -1.203) 3.471 9.681 ( 7.269 0.000 -20.453) 21.706 ======================= Grid point 2 (3/212) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 8.955 0.000 7.879) 11.928 0.615 ( -0.671 0.000 11.020) 11.040 0.633 ( 8.589 0.000 5.984) 10.468 0.941 ( 6.680 0.000 -0.683) 6.715 1.154 ( 13.147 0.000 3.177) 13.526 1.191 ( -0.985 0.000 5.715) 5.799 1.241 ( 9.462 0.000 -1.365) 9.560 1.325 ( 0.932 0.000 -1.459) 1.731 1.437 ( 5.260 0.000 -1.475) 5.463 1.506 ( 1.146 0.000 -0.333) 1.194 1.876 ( -1.058 0.000 -2.346) 2.574 1.969 ( -1.032 0.000 1.783) 2.060 2.002 ( 7.761 0.000 2.086) 8.036 2.099 ( 2.252 0.000 0.157) 2.257 2.339 ( 2.650 0.000 -0.887) 2.794 2.744 ( -8.040 0.000 -1.702) 8.218 3.074 ( 6.785 0.000 15.209) 16.654 3.823 ( -7.918 0.000 -11.395) 13.876 5.526 ( 10.703 0.000 2.168) 10.921 5.656 ( -4.952 0.000 -7.507) 8.993 6.376 ( 6.369 0.000 1.316) 6.503 6.625 ( 2.353 0.000 -5.275) 5.776 7.145 ( -9.782 0.000 24.301) 26.196 7.259 ( -2.394 0.000 -3.199) 3.995 7.812 ( 4.398 0.000 -8.217) 9.320 8.467 ( 5.203 0.000 7.179) 8.867 8.583 ( -1.505 0.000 3.673) 3.970 8.867 ( -4.137 0.000 -4.684) 6.250 9.690 ( 4.093 0.000 -10.006) 10.810 9.702 ( 5.686 0.000 -1.857) 5.982 ======================= Grid point 3 (4/212) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -2.186 0.000 10.538) 10.763 0.675 ( 7.159 0.000 7.526) 10.387 0.848 ( 7.636 0.000 6.132) 9.794 1.071 ( 7.283 0.000 -1.100) 7.365 1.155 ( -3.320 0.000 3.264) 4.655 1.287 ( 2.309 0.000 -1.272) 2.636 1.346 ( 1.320 0.000 -1.867) 2.286 1.414 ( 8.909 0.000 -1.335) 9.009 1.530 ( 1.739 0.000 -0.473) 1.802 1.548 ( 4.706 0.000 0.263) 4.713 1.840 ( -0.625 0.000 -2.023) 2.117 1.967 ( -0.570 0.000 2.602) 2.663 2.138 ( 1.769 0.000 -0.562) 1.856 2.188 ( 7.963 0.000 1.452) 8.095 2.437 ( 8.245 0.000 1.040) 8.310 2.555 ( -9.823 0.000 -3.080) 10.294 3.333 ( 9.818 0.000 15.940) 18.721 3.570 ( -10.082 0.000 -13.374) 16.749 5.523 ( -4.049 0.000 -7.440) 8.470 5.765 ( 12.581 0.000 2.726) 12.873 6.462 ( 2.673 0.000 -1.454) 3.043 6.641 ( 1.200 0.000 -0.052) 1.201 7.123 ( -7.841 0.000 21.092) 22.502 7.212 ( -0.753 0.000 -1.680) 1.841 7.827 ( 3.501 0.000 -11.365) 11.892 8.539 ( -1.658 0.000 5.316) 5.569 8.666 ( 6.492 0.000 6.388) 9.108 8.748 ( -4.669 0.000 -5.680) 7.353 9.707 ( 3.153 0.000 -6.166) 6.925 9.810 ( 6.808 0.000 -1.856) 7.056 ======================= Grid point 4 (5/212) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -0.359 0.000 10.190) 10.197 0.832 ( 4.674 0.000 6.320) 7.861 1.000 ( 5.020 0.000 4.516) 6.752 1.111 ( -3.125 0.000 2.731) 4.150 1.192 ( 6.169 0.000 -0.853) 6.228 1.308 ( 0.387 0.000 0.302) 0.490 1.340 ( 0.016 0.000 -2.920) 2.920 1.509 ( 2.250 0.000 -2.744) 3.548 1.586 ( 4.073 0.000 -0.164) 4.076 1.598 ( 1.419 0.000 -1.485) 2.054 1.836 ( 1.515 0.000 -1.880) 2.415 1.984 ( 0.137 0.000 2.793) 2.797 2.140 ( -1.014 0.000 -2.614) 2.804 2.293 ( 3.662 0.000 -0.325) 3.677 2.371 ( -6.283 0.000 -2.561) 6.785 2.623 ( 9.105 0.000 0.847) 9.145 3.290 ( -10.340 0.000 -12.568) 16.275 3.630 ( 10.612 0.000 14.561) 18.017 5.409 ( -3.406 0.000 -6.102) 6.988 6.017 ( 11.872 0.000 2.611) 12.156 6.464 ( -0.493 0.000 -3.103) 3.142 6.668 ( 0.738 0.000 2.114) 2.239 7.127 ( -5.612 0.000 20.571) 21.322 7.207 ( 0.699 0.000 -0.285) 0.755 7.786 ( 0.849 0.000 -14.804) 14.828 8.539 ( -1.410 0.000 4.550) 4.764 8.633 ( -3.492 0.000 -5.033) 6.126 8.833 ( 6.540 0.000 5.628) 8.628 9.728 ( 2.495 0.000 -3.859) 4.596 9.926 ( 6.399 0.000 -1.436) 6.558 ======================= Grid point 5 (6/212) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 1.071 0.000 8.338) 8.407 0.928 ( 1.963 0.000 4.034) 4.486 1.079 ( -1.805 0.000 1.975) 2.675 1.095 ( 2.649 0.000 2.466) 3.619 1.293 ( 4.925 0.000 -0.115) 4.926 1.302 ( -1.648 0.000 2.194) 2.744 1.327 ( 0.985 0.000 -3.607) 3.739 1.501 ( -0.759 0.000 -2.768) 2.870 1.598 ( 0.077 0.000 -1.843) 1.845 1.635 ( 1.438 0.000 -0.695) 1.597 1.864 ( 2.156 0.000 -1.304) 2.520 1.937 ( -5.744 0.000 -2.802) 6.391 2.132 ( 2.673 0.000 0.833) 2.800 2.307 ( -0.646 0.000 -0.806) 1.033 2.342 ( 2.050 0.000 -0.459) 2.101 2.763 ( 5.414 0.000 -0.075) 5.415 3.040 ( -8.218 0.000 -9.201) 12.336 3.890 ( 7.941 0.000 9.949) 12.729 5.321 ( -2.418 0.000 -3.880) 4.571 6.231 ( 8.992 0.000 1.770) 9.164 6.423 ( -1.474 0.000 -2.768) 3.136 6.688 ( -0.158 0.000 2.013) 2.020 7.185 ( -2.360 0.000 21.267) 21.398 7.224 ( 0.903 0.000 0.155) 0.916 7.667 ( -1.971 0.000 -18.190) 18.297 8.545 ( -0.682 0.000 3.149) 3.222 8.559 ( -1.516 0.000 -3.154) 3.499 8.971 ( 4.678 0.000 3.712) 5.971 9.749 ( 1.654 0.000 -2.136) 2.702 10.023 ( 4.533 0.000 -0.866) 4.615 ======================= Grid point 6 (7/212) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.875 0.000 3.645) 3.748 0.964 ( 0.309 0.000 1.294) 1.331 1.067 ( -0.491 0.000 0.777) 0.919 1.133 ( 0.606 0.000 0.484) 0.775 1.289 ( -0.629 0.000 0.807) 1.023 1.324 ( 0.319 0.000 -1.194) 1.236 1.370 ( 2.781 0.000 0.278) 2.794 1.462 ( -1.362 0.000 -1.359) 1.924 1.587 ( -0.111 0.000 -0.826) 0.834 1.643 ( 0.081 0.000 -0.282) 0.293 1.822 ( -3.077 0.000 -2.151) 3.754 1.889 ( 0.946 0.000 -0.461) 1.053 2.198 ( 2.218 0.000 1.440) 2.644 2.297 ( -0.230 0.000 -0.677) 0.715 2.366 ( 0.694 0.000 -0.191) 0.720 2.829 ( 1.746 0.000 -0.130) 1.751 2.885 ( -3.316 0.000 -3.500) 4.821 4.038 ( 2.891 0.000 3.489) 4.531 5.272 ( -0.888 0.000 -1.313) 1.585 6.363 ( 3.690 0.000 0.570) 3.734 6.387 ( -0.698 0.000 -1.072) 1.279 6.688 ( -0.585 0.000 0.793) 0.985 7.237 ( 0.364 0.000 0.089) 0.375 7.311 ( 1.014 0.000 20.960) 20.985 7.495 ( -2.747 0.000 -19.956) 20.144 8.530 ( -0.310 0.000 -1.038) 1.083 8.551 ( -0.185 0.000 1.123) 1.138 9.049 ( 1.698 0.000 1.292) 2.134 9.761 ( 0.582 0.000 -0.684) 0.898 10.079 ( 1.634 0.000 -0.285) 1.659 ======================= Grid point 13 (8/212) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.245 ( 0.000 10.744 0.000) 10.744 0.376 ( 0.000 16.966 0.000) 16.966 0.634 ( 0.000 0.406 0.000) 0.406 0.753 ( 0.000 30.572 0.000) 30.572 0.868 ( 0.000 4.242 0.000) 4.242 1.135 ( 0.000 1.456 0.000) 1.456 1.208 ( 0.000 1.830 0.000) 1.830 1.299 ( 0.000 3.629 0.000) 3.629 1.382 ( 0.000 2.567 0.000) 2.567 1.442 ( 0.000 -4.770 0.000) 4.770 1.705 ( 0.000 0.364 0.000) 0.364 1.981 ( 0.000 1.914 0.000) 1.914 2.032 ( 0.000 -1.060 0.000) 1.060 2.047 ( 0.000 0.740 0.000) 0.740 2.271 ( 0.000 -5.286 0.000) 5.286 2.707 ( 0.000 -3.525 0.000) 3.525 3.011 ( 0.000 5.653 0.000) 5.653 3.965 ( 0.000 -8.909 0.000) 8.909 5.328 ( 0.000 3.704 0.000) 3.704 6.000 ( 0.000 -7.227 0.000) 7.227 6.136 ( 0.000 1.500 0.000) 1.500 6.222 ( 0.000 1.446 0.000) 1.446 7.077 ( 0.000 3.129 0.000) 3.129 7.513 ( 0.000 -5.094 0.000) 5.094 7.859 ( 0.000 7.166 0.000) 7.166 8.325 ( 0.000 3.779 0.000) 3.779 8.564 ( 0.000 -3.915 0.000) 3.915 8.939 ( 0.000 -4.166 0.000) 4.166 9.572 ( 0.000 2.167 0.000) 2.167 9.719 ( 0.000 -0.149 0.000) 0.149 ======================= Grid point 14 (9/212) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( 4.771 6.823 5.903) 10.206 0.415 ( 6.334 10.734 4.860) 13.377 0.638 ( -0.425 1.121 3.772) 3.958 0.877 ( 0.844 4.472 5.401) 7.062 0.990 ( 15.131 16.381 2.511) 22.441 1.131 ( 1.976 3.651 2.744) 4.976 1.220 ( 1.954 3.240 -0.886) 3.886 1.352 ( 3.002 0.275 -1.313) 3.288 1.371 ( -0.214 0.446 -0.839) 0.974 1.450 ( 1.153 -1.927 -0.636) 2.334 1.774 ( 4.868 -3.163 -0.009) 5.806 1.962 ( -1.373 1.962 -1.230) 2.693 2.034 ( 1.381 2.000 -0.306) 2.450 2.072 ( 1.700 0.834 1.485) 2.407 2.263 ( 0.093 -5.090 -0.888) 5.168 2.796 ( 4.486 -4.505 7.737) 10.015 2.968 ( -3.947 5.942 2.079) 7.430 3.908 ( -3.938 -8.416 -6.035) 11.080 5.384 ( 5.679 3.147 0.886) 6.553 5.826 ( -6.937 -0.235 -6.579) 9.563 6.232 ( 5.706 0.717 3.574) 6.771 6.458 ( 12.011 -9.102 0.389) 15.076 7.089 ( -3.119 1.185 12.369) 12.811 7.407 ( -6.529 -0.365 -3.872) 7.599 7.851 ( 1.272 6.664 -3.493) 7.631 8.377 ( 2.299 2.341 6.142) 6.963 8.562 ( -0.931 -3.295 1.512) 3.743 8.912 ( -1.857 -3.787 -2.713) 5.015 9.600 ( 3.307 0.680 -1.854) 3.852 9.720 ( 2.896 0.845 -7.432) 8.021 ======================= Grid point 15 (10/212) ======================= q-point: ( 0.15 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 6.160 0.680 6.579) 9.038 0.620 ( 8.938 2.063 8.206) 12.308 0.671 ( 0.387 2.960 6.662) 7.301 0.951 ( 4.504 1.771 2.328) 5.370 1.155 ( 1.510 -1.320 1.818) 2.707 1.249 ( 6.490 3.886 2.192) 7.876 1.296 ( 4.958 4.553 -1.354) 6.866 1.343 ( -0.806 -0.608 -0.190) 1.027 1.435 ( 5.039 -1.150 -0.006) 5.168 1.487 ( 3.963 2.602 -0.919) 4.830 1.844 ( 1.903 -4.478 0.410) 4.883 1.922 ( -1.753 1.174 -1.159) 2.407 2.088 ( 3.577 1.794 -0.389) 4.020 2.132 ( 3.521 2.781 1.750) 4.816 2.300 ( 5.264 -0.633 1.136) 5.422 2.803 ( -6.147 4.389 -1.783) 7.761 3.040 ( 6.490 -2.262 13.698) 15.325 3.748 ( -7.030 -6.905 -10.384) 14.315 5.543 ( 9.835 1.627 1.619) 10.099 5.677 ( -4.524 1.389 -7.228) 8.640 6.361 ( 5.471 -1.072 1.875) 5.882 6.592 ( 4.000 -4.254 -2.085) 6.200 7.108 ( -4.994 0.051 16.823) 17.548 7.291 ( -3.225 1.439 -2.502) 4.328 7.861 ( 2.764 4.748 -6.426) 8.454 8.460 ( 0.945 -2.445 6.671) 7.167 8.567 ( 1.085 -0.220 3.658) 3.822 8.838 ( -3.204 -2.661 -4.849) 6.392 9.661 ( 4.605 -0.222 -3.602) 5.851 9.742 ( 4.083 1.298 -5.234) 6.764 ======================= Grid point 16 (11/212) ======================= q-point: ( 0.23 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 2.421 -0.901 7.588) 8.016 0.740 ( 2.539 3.403 7.510) 8.628 0.826 ( 7.281 -0.864 6.440) 9.759 1.062 ( 5.620 -0.059 0.839) 5.683 1.157 ( -2.194 0.057 3.306) 3.968 1.305 ( -1.136 -1.864 0.481) 2.235 1.350 ( 2.086 2.222 -2.490) 3.936 1.411 ( 8.377 -0.182 -1.107) 8.452 1.511 ( 3.787 -1.068 0.343) 3.950 1.568 ( 3.907 2.378 -1.683) 4.873 1.846 ( -1.022 -1.052 -0.648) 1.603 1.898 ( -0.661 -3.514 0.853) 3.676 2.135 ( 1.621 -0.337 -0.857) 1.864 2.194 ( 2.580 -2.277 -0.498) 3.477 2.487 ( 10.774 7.611 2.377) 13.404 2.648 ( -7.406 6.505 -2.301) 10.123 3.288 ( 9.000 -3.843 14.856) 17.790 3.526 ( -8.148 -4.183 -12.014) 15.108 5.555 ( -3.511 2.708 -7.241) 8.491 5.759 ( 11.375 -0.613 1.906) 11.550 6.451 ( 3.251 -1.073 0.195) 3.429 6.619 ( 0.680 -2.458 -1.129) 2.789 7.115 ( -5.423 0.556 16.128) 17.025 7.252 ( -0.535 2.853 0.629) 2.970 7.860 ( 2.188 3.310 -9.359) 10.165 8.477 ( -2.252 -5.546 5.634) 8.220 8.671 ( 5.583 0.278 5.357) 7.743 8.738 ( -3.482 -0.996 -5.812) 6.848 9.712 ( 3.651 0.741 -4.441) 5.797 9.815 ( 6.020 0.261 -2.412) 6.490 ======================= Grid point 17 (12/212) ======================= q-point: ( 0.31 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 0.382 -0.021 8.263) 8.272 0.843 ( 3.289 0.567 5.729) 6.630 0.977 ( 5.089 -1.401 4.619) 7.014 1.125 ( -2.199 0.697 2.346) 3.290 1.166 ( 3.930 -0.961 0.915) 4.148 1.283 ( -1.483 -3.950 0.385) 4.236 1.370 ( 1.917 3.569 -2.198) 4.609 1.517 ( 3.433 0.640 -3.030) 4.623 1.601 ( 2.721 0.071 -0.875) 2.859 1.605 ( 3.939 1.586 -0.626) 4.293 1.825 ( -0.336 -1.449 -0.995) 1.789 1.902 ( 0.078 -5.815 2.519) 6.337 2.130 ( -1.141 -0.731 -2.217) 2.599 2.235 ( 2.198 -2.803 -0.768) 3.643 2.482 ( -4.924 7.354 -3.254) 9.429 2.711 ( 8.204 6.948 1.697) 10.884 3.268 ( -8.583 -1.831 -10.689) 13.830 3.584 ( 9.999 -4.132 12.598) 16.607 5.451 ( -2.924 3.833 -6.063) 7.746 5.978 ( 10.264 -3.593 1.573) 10.988 6.485 ( 0.862 1.354 -1.638) 2.293 6.625 ( 0.386 -3.260 1.226) 3.504 7.118 ( -4.329 0.256 13.968) 14.626 7.267 ( 0.248 3.780 3.803) 5.367 7.814 ( 0.128 2.923 -12.352) 12.693 8.472 ( -1.731 -5.814 5.040) 7.887 8.642 ( -2.449 0.624 -5.380) 5.944 8.816 ( 5.781 -1.601 4.798) 7.681 9.749 ( 2.894 1.844 -3.191) 4.686 9.920 ( 6.067 -0.575 -1.510) 6.278 ======================= Grid point 18 (13/212) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 0.292 -1.074 7.029) 7.116 0.927 ( 2.477 -0.521 3.609) 4.408 1.076 ( 2.736 -1.411 2.455) 3.937 1.094 ( -2.154 0.819 1.681) 2.852 1.235 ( 2.404 -2.548 1.223) 3.711 1.258 ( -0.900 -3.304 -0.669) 3.489 1.395 ( 1.805 3.970 -1.016) 4.478 1.516 ( -0.873 1.269 -3.121) 3.480 1.606 ( 1.036 0.799 -2.602) 2.912 1.677 ( 1.741 2.628 0.460) 3.186 1.820 ( -0.071 -3.129 -0.230) 3.138 1.927 ( 0.467 -3.084 1.092) 3.305 2.088 ( -0.555 -0.963 -1.607) 1.954 2.263 ( 1.275 -2.352 -0.933) 2.834 2.411 ( -1.143 4.455 -1.738) 4.917 2.831 ( 3.449 3.676 0.692) 5.088 3.064 ( -5.620 3.516 -8.445) 10.736 3.824 ( 7.424 -5.920 8.853) 12.982 5.371 ( -2.070 4.647 -3.930) 6.428 6.150 ( 6.931 -6.926 0.684) 9.823 6.472 ( -0.477 3.629 -1.950) 4.147 6.652 ( 0.957 -2.699 2.296) 3.671 7.138 ( -1.940 -1.247 10.867) 11.109 7.301 ( -0.174 3.061 6.344) 7.046 7.710 ( -1.756 4.536 -14.179) 14.990 8.476 ( -0.853 -5.899 3.681) 7.005 8.581 ( -0.917 1.775 -3.684) 4.191 8.938 ( 4.174 -3.027 3.193) 6.065 9.780 ( 2.003 2.697 -1.794) 3.809 10.013 ( 4.373 -0.984 -0.875) 4.567 ======================= Grid point 19 (14/212) ======================= q-point: ( 0.46 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.226 -2.773 2.982) 4.079 0.988 ( 2.141 0.748 1.922) 2.973 1.051 ( -2.288 -1.242 -0.342) 2.625 1.124 ( 0.903 -1.453 0.761) 1.872 1.239 ( -0.632 -2.211 0.295) 2.318 1.273 ( 1.081 -2.837 -0.146) 3.039 1.422 ( 1.279 3.267 -0.244) 3.517 1.473 ( -1.448 1.085 -1.355) 2.261 1.616 ( 1.140 2.094 -0.980) 2.578 1.684 ( -0.679 2.038 0.278) 2.165 1.811 ( -0.548 -0.172 -0.089) 0.582 1.924 ( -0.065 1.799 -0.943) 2.032 2.103 ( 1.204 -5.702 0.670) 5.866 2.271 ( 0.282 -2.098 -0.629) 2.208 2.397 ( -0.016 2.347 -0.499) 2.400 2.844 ( -1.042 -2.187 -0.608) 2.497 2.979 ( -0.195 10.595 -2.405) 10.866 3.960 ( 2.676 -7.024 3.091) 8.127 5.327 ( -0.758 5.084 -1.347) 5.314 6.240 ( 2.314 -9.034 0.034) 9.326 6.456 ( -0.194 4.043 -0.680) 4.104 6.678 ( 0.441 -0.775 1.032) 1.363 7.174 ( -0.024 -2.700 4.310) 5.085 7.339 ( -0.302 -0.883 5.870) 5.943 7.594 ( -1.313 9.190 -9.205) 13.073 8.483 ( -0.238 -6.061 1.431) 6.232 8.556 ( -0.134 2.395 -1.367) 2.761 9.007 ( 1.511 -3.795 1.112) 4.233 9.798 ( 0.728 3.215 -0.569) 3.345 10.067 ( 1.585 -1.161 -0.285) 1.986 ======================= Grid point 26 (15/212) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 0.000 7.633 0.000) 7.633 0.621 ( 0.000 -1.389 0.000) 1.389 0.707 ( 0.000 14.153 0.000) 14.153 0.978 ( 0.000 5.638 0.000) 5.638 1.064 ( 0.000 -0.049 0.000) 0.049 1.189 ( 0.000 1.085 0.000) 1.085 1.269 ( 0.000 -3.603 0.000) 3.603 1.340 ( 0.000 -0.871 0.000) 0.871 1.473 ( 0.000 6.028 0.000) 6.028 1.478 ( 0.000 13.571 0.000) 13.571 1.758 ( 0.000 5.141 0.000) 5.141 2.010 ( 0.000 -0.028 0.000) 0.028 2.039 ( 0.000 2.216 0.000) 2.216 2.061 ( 0.000 0.365 0.000) 0.365 2.151 ( 0.000 -3.121 0.000) 3.121 2.582 ( 0.000 -8.682 0.000) 8.682 3.173 ( 0.000 9.498 0.000) 9.498 3.713 ( 0.000 -14.043 0.000) 14.043 5.442 ( 0.000 6.949 0.000) 6.949 5.817 ( 0.000 -9.569 0.000) 9.569 6.177 ( 0.000 2.177 0.000) 2.177 6.238 ( 0.000 -0.077 0.000) 0.077 7.166 ( 0.000 5.043 0.000) 5.043 7.400 ( 0.000 -5.526 0.000) 5.526 8.030 ( 0.000 8.699 0.000) 8.699 8.366 ( 0.000 -3.632 0.000) 3.632 8.519 ( 0.000 3.335 0.000) 3.335 8.818 ( 0.000 -6.969 0.000) 6.969 9.627 ( 0.000 2.734 0.000) 2.734 9.709 ( 0.000 -0.908 0.000) 0.908 ======================= Grid point 27 (16/212) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 1.064 6.685 3.621) 7.677 0.632 ( 0.732 -0.153 1.906) 2.048 0.704 ( 0.727 12.820 0.440) 12.849 0.984 ( -0.662 5.397 4.786) 7.244 1.089 ( 2.206 -1.730 -1.325) 3.101 1.217 ( 2.464 -0.296 1.058) 2.698 1.271 ( -0.385 -4.091 0.588) 4.151 1.348 ( 0.897 -0.634 -0.191) 1.115 1.430 ( 0.135 9.515 -0.027) 9.516 1.563 ( 3.913 8.726 0.557) 9.579 1.745 ( -0.040 0.274 -2.276) 2.293 1.982 ( -2.314 -1.731 -1.685) 3.345 2.071 ( 1.835 0.714 -0.874) 2.154 2.085 ( 1.302 -1.590 1.312) 2.438 2.209 ( 7.205 5.928 3.869) 10.100 2.671 ( 6.349 -7.867 5.880) 11.695 3.133 ( -3.758 9.601 -0.234) 10.313 3.667 ( -3.237 -13.536 -4.396) 14.596 5.482 ( 4.221 5.951 0.065) 7.296 5.766 ( -2.635 -5.263 -4.217) 7.241 6.245 ( 4.199 0.676 3.166) 5.302 6.323 ( 7.160 -3.862 2.428) 8.490 7.167 ( -1.138 4.932 3.835) 6.351 7.359 ( -2.629 -3.425 -2.774) 5.132 8.021 ( -0.404 8.680 -1.453) 8.810 8.362 ( -1.565 -5.313 3.125) 6.359 8.541 ( 1.520 3.393 1.883) 4.168 8.802 ( -0.835 -6.276 -2.245) 6.718 9.640 ( 1.744 2.464 -0.820) 3.128 9.719 ( 2.083 -0.801 -3.154) 3.864 ======================= Grid point 28 (17/212) ======================= q-point: ( 0.15 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 2.514 4.469 5.128) 7.252 0.684 ( 2.714 -0.742 3.753) 4.691 0.760 ( 3.423 9.050 4.022) 10.478 1.021 ( 1.046 4.105 5.369) 6.840 1.122 ( 1.502 -2.503 0.634) 2.987 1.233 ( -2.430 -7.320 2.872) 8.230 1.313 ( 5.289 2.573 -1.212) 6.005 1.372 ( 1.935 0.587 -0.316) 2.047 1.462 ( 2.806 5.511 -0.729) 6.227 1.618 ( 2.112 6.948 -1.037) 7.335 1.743 ( 0.734 -5.076 -0.489) 5.152 1.915 ( -3.344 -3.621 -1.736) 5.225 2.099 ( 1.388 -0.643 -0.550) 1.626 2.112 ( 2.217 -1.024 -0.828) 2.578 2.443 ( 12.473 11.402 5.575) 17.796 2.831 ( 4.157 -3.697 4.082) 6.900 3.068 ( -1.746 6.743 4.268) 8.168 3.545 ( -5.232 -11.782 -7.544) 14.936 5.593 ( 7.150 2.987 -0.064) 7.749 5.691 ( -1.751 -0.359 -5.719) 5.992 6.346 ( 4.359 -0.119 2.074) 4.829 6.465 ( 5.131 -6.201 2.150) 8.331 7.172 ( -2.199 4.668 7.183) 8.845 7.301 ( -1.182 -0.580 -1.885) 2.300 8.000 ( -0.386 7.853 -2.595) 8.280 8.346 ( -2.730 -7.386 4.733) 9.187 8.595 ( 2.654 2.507 2.594) 4.479 8.761 ( -1.281 -4.369 -4.030) 6.080 9.682 ( 3.576 1.836 -1.928) 4.459 9.749 ( 3.561 -0.561 -3.626) 5.113 ======================= Grid point 29 (18/212) ======================= q-point: ( 0.23 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 2.978 2.721 5.344) 6.695 0.764 ( 2.600 -1.604 4.508) 5.446 0.866 ( 3.945 5.058 5.847) 8.680 1.084 ( 2.065 1.688 4.221) 4.993 1.150 ( 0.759 -1.212 1.740) 2.252 1.199 ( -2.799 -6.153 2.244) 7.123 1.403 ( 3.562 1.241 -0.005) 3.772 1.430 ( 5.532 1.934 -1.862) 6.149 1.522 ( 4.041 2.911 -0.131) 4.982 1.637 ( 1.109 3.649 -2.214) 4.410 1.760 ( 0.704 -5.486 1.014) 5.623 1.839 ( -3.655 -4.298 -1.054) 5.739 2.119 ( 1.265 -0.291 -1.201) 1.768 2.154 ( 2.585 -0.900 -1.087) 2.945 2.696 ( 10.265 9.937 3.193) 14.639 2.791 ( -6.019 6.354 -2.562) 9.120 3.201 ( 6.941 -3.233 11.327) 13.672 3.395 ( -3.979 -7.921 -8.418) 12.224 5.624 ( -1.265 3.478 -6.141) 7.170 5.738 ( 7.815 -1.458 -0.501) 7.966 6.430 ( 3.520 -0.341 1.463) 3.827 6.537 ( 1.872 -4.697 0.682) 5.102 7.171 ( -3.151 4.307 8.193) 9.778 7.294 ( 0.320 0.470 1.075) 1.216 7.970 ( -0.581 6.975 -4.109) 8.116 8.325 ( -2.658 -8.315 5.005) 10.062 8.674 ( 3.691 0.047 2.603) 4.516 8.708 ( -1.119 -1.581 -4.549) 4.944 9.741 ( 4.065 1.859 -2.624) 5.183 9.811 ( 5.056 -0.798 -2.512) 5.702 ======================= Grid point 30 (19/212) ======================= q-point: ( 0.31 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 1.261 2.440 5.262) 5.935 0.832 ( 1.750 -1.949 3.964) 4.751 0.973 ( 3.567 1.425 4.846) 6.184 1.138 ( 0.213 1.075 1.941) 2.229 1.149 ( -2.303 -3.457 4.644) 6.231 1.191 ( 1.951 -2.205 -0.682) 3.022 1.452 ( 2.220 3.683 -0.619) 4.345 1.523 ( 4.728 -0.151 -2.771) 5.482 1.608 ( 3.553 0.875 -1.386) 3.913 1.642 ( 1.916 1.900 0.597) 2.763 1.760 ( -2.498 -4.395 0.544) 5.084 1.792 ( 0.374 -4.306 1.603) 4.610 2.128 ( 0.603 0.794 -1.792) 2.050 2.191 ( 2.084 -1.618 -1.330) 2.955 2.648 ( -6.169 8.040 -3.570) 10.745 2.840 ( 2.862 3.224 0.749) 4.376 3.240 ( -1.724 0.548 -4.916) 5.238 3.468 ( 8.668 -6.525 7.841) 13.386 5.563 ( -1.194 6.485 -5.430) 8.542 5.869 ( 6.338 -6.506 -0.956) 9.133 6.502 ( 3.104 0.380 1.262) 3.372 6.561 ( 0.806 -2.476 0.736) 2.706 7.160 ( -3.343 3.703 7.622) 9.109 7.309 ( -0.344 -0.435 2.545) 2.605 7.924 ( -1.025 7.511 -5.501) 9.367 8.313 ( -1.729 -8.849 4.031) 9.877 8.662 ( -0.491 1.436 -3.941) 4.223 8.768 ( 4.035 -2.847 2.554) 5.559 9.799 ( 3.705 2.723 -2.168) 5.083 9.899 ( 5.343 -1.524 -1.587) 5.778 ======================= Grid point 31 (20/212) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -0.848 1.541 4.329) 4.673 0.882 ( 1.344 -3.798 2.179) 4.580 1.054 ( 2.251 -0.166 2.337) 3.249 1.104 ( -2.403 -0.453 2.405) 3.430 1.181 ( 1.014 -1.383 2.405) 2.954 1.222 ( 1.506 -0.705 -0.591) 1.764 1.480 ( 1.278 3.959 -0.905) 4.257 1.544 ( -0.319 1.002 -3.458) 3.615 1.621 ( 1.997 0.349 -2.243) 3.023 1.706 ( -0.619 -0.224 1.476) 1.616 1.757 ( 3.202 -2.326 2.581) 4.724 1.831 ( 1.847 -3.932 2.694) 5.112 2.115 ( -0.562 2.258 -2.310) 3.279 2.212 ( 1.105 -2.375 -1.435) 2.987 2.531 ( -3.788 6.946 -2.594) 8.326 2.823 ( -2.945 -4.149 -1.814) 5.401 3.221 ( 1.812 10.158 -2.948) 10.731 3.659 ( 6.193 -9.271 5.768) 12.553 5.512 ( -0.940 8.556 -3.648) 9.348 5.959 ( 3.802 -10.681 -1.034) 11.384 6.543 ( 0.808 2.625 -0.305) 2.764 6.604 ( 2.561 -1.597 2.510) 3.925 7.149 ( -2.351 2.302 6.111) 6.941 7.306 ( -1.537 -2.454 1.697) 3.356 7.868 ( -1.027 9.811 -5.191) 11.147 8.310 ( -0.829 -9.420 2.431) 9.764 8.639 ( 0.200 3.777 -2.363) 4.460 8.851 ( 3.031 -5.039 1.832) 6.159 9.850 ( 2.706 3.639 -1.261) 4.707 9.981 ( 3.958 -2.122 -0.896) 4.580 ======================= Grid point 32 (21/212) ======================= q-point: ( 0.46 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -0.638 0.029 1.741) 1.855 0.905 ( 0.235 -6.729 0.477) 6.750 1.071 ( -0.434 2.095 0.582) 2.217 1.104 ( 0.335 -0.066 1.004) 1.061 1.214 ( 0.944 -1.187 1.868) 2.406 1.233 ( 0.141 -0.822 -1.190) 1.453 1.492 ( 0.599 3.044 -0.360) 3.123 1.509 ( -0.964 2.161 -1.487) 2.795 1.651 ( 1.967 0.906 -1.279) 2.515 1.689 ( -1.515 -1.070 1.254) 2.239 1.823 ( 1.598 0.580 1.156) 2.056 1.881 ( 1.288 -4.260 1.514) 4.701 2.087 ( -0.621 3.033 -1.354) 3.379 2.216 ( 0.196 -2.908 -0.784) 3.018 2.475 ( -1.085 5.362 -0.862) 5.538 2.760 ( -1.747 -5.599 -1.073) 5.962 3.239 ( 0.953 13.042 -0.883) 13.107 3.763 ( 2.167 -11.001 1.968) 11.384 5.484 ( -0.360 9.615 -1.274) 9.706 6.001 ( 1.232 -12.892 -0.447) 12.959 6.548 ( 0.113 4.278 -0.133) 4.282 6.658 ( 1.376 -1.149 1.169) 2.140 7.151 ( -0.619 0.617 2.796) 2.930 7.281 ( -1.181 -3.892 0.105) 4.068 7.829 ( -0.389 12.049 -2.156) 12.247 8.311 ( -0.230 -9.819 0.791) 9.854 8.634 ( 0.197 4.963 -0.750) 5.023 8.899 ( 1.114 -6.162 0.661) 6.297 9.881 ( 1.002 4.181 -0.399) 4.318 10.029 ( 1.451 -2.429 -0.288) 2.844 ======================= Grid point 39 (22/212) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 0.000 -4.108 0.000) 4.108 0.566 ( 0.000 4.108 0.000) 4.108 0.962 ( 0.000 -9.278 0.000) 9.278 0.962 ( 0.000 9.278 0.000) 9.278 1.097 ( 0.000 -5.825 0.000) 5.825 1.097 ( 0.000 5.825 0.000) 5.825 1.287 ( 0.000 -3.253 0.000) 3.253 1.287 ( 0.000 3.253 0.000) 3.253 1.584 ( 0.000 -2.777 0.000) 2.777 1.584 ( 0.000 2.777 0.000) 2.777 1.905 ( 0.000 -7.817 0.000) 7.817 1.905 ( 0.000 7.817 0.000) 7.817 2.059 ( 0.000 -0.525 0.000) 0.525 2.059 ( 0.000 0.525 0.000) 0.525 2.332 ( 0.000 -14.192 0.000) 14.192 2.332 ( 0.000 14.192 0.000) 14.192 3.414 ( 0.000 -13.249 0.000) 13.249 3.414 ( 0.000 13.249 0.000) 13.249 5.615 ( 0.000 -9.172 0.000) 9.172 5.615 ( 0.000 9.172 0.000) 9.172 6.219 ( 0.000 -1.615 0.000) 1.615 6.219 ( 0.000 1.615 0.000) 1.615 7.281 ( 0.000 -5.654 0.000) 5.654 7.281 ( 0.000 5.654 0.000) 5.654 8.216 ( 0.000 -8.572 0.000) 8.572 8.216 ( 0.000 8.572 0.000) 8.572 8.658 ( 0.000 -7.788 0.000) 7.788 8.658 ( 0.000 7.788 0.000) 7.788 9.678 ( 0.000 -2.016 0.000) 2.016 9.678 ( 0.000 2.016 0.000) 2.016 ======================= Grid point 41 (23/212) ======================= q-point: ( 0.08 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 0.818 -4.068 2.175) 4.685 0.580 ( 0.818 4.068 2.175) 4.685 0.962 ( 0.280 -9.938 -0.354) 9.949 0.962 ( 0.280 9.938 -0.354) 9.949 1.101 ( -0.529 -5.341 2.868) 6.085 1.101 ( -0.529 5.341 2.868) 6.085 1.305 ( 2.141 -2.839 -0.592) 3.605 1.305 ( 2.141 2.839 -0.592) 3.605 1.590 ( 0.544 -5.192 0.023) 5.221 1.590 ( 0.544 5.192 0.023) 5.221 1.852 ( -3.418 -8.273 -2.144) 9.204 1.852 ( -3.418 8.273 -2.144) 9.204 2.073 ( 1.395 -0.312 -0.375) 1.478 2.073 ( 1.395 0.312 -0.375) 1.478 2.451 ( 8.984 -12.692 5.560) 16.514 2.451 ( 8.984 12.692 5.560) 16.514 3.375 ( -3.205 -13.144 -2.210) 13.709 3.375 ( -3.205 13.144 -2.210) 13.709 5.626 ( 1.707 -7.271 -1.466) 7.611 5.626 ( 1.707 7.271 -1.466) 7.611 6.269 ( 4.069 -1.704 2.039) 4.860 6.269 ( 4.069 1.704 2.039) 4.860 7.272 ( -0.816 -4.686 0.182) 4.760 7.272 ( -0.816 4.686 0.182) 4.760 8.205 ( -1.567 -8.488 1.100) 8.701 8.205 ( -1.567 8.488 1.100) 8.701 8.660 ( 0.420 -6.746 -0.497) 6.777 8.660 ( 0.420 6.746 -0.497) 6.777 9.689 ( 1.666 -1.977 -1.519) 2.998 9.689 ( 1.666 1.977 -1.519) 2.998 ======================= Grid point 43 (24/212) ======================= q-point: ( 0.15 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 1.965 -4.203 3.669) 5.915 0.625 ( 1.965 4.203 3.669) 5.915 0.976 ( 1.029 -9.760 0.979) 9.863 0.976 ( 1.029 9.760 0.979) 9.863 1.116 ( -0.527 -3.729 4.755) 6.066 1.116 ( -0.527 3.729 4.755) 6.066 1.358 ( 3.973 -1.549 -1.222) 4.436 1.358 ( 3.973 1.549 -1.222) 4.436 1.605 ( 1.041 -6.822 -0.080) 6.902 1.605 ( 1.041 6.822 -0.080) 6.902 1.781 ( -2.749 -7.429 -1.471) 8.057 1.781 ( -2.749 7.429 -1.471) 8.057 2.102 ( 2.058 -0.638 -0.986) 2.370 2.102 ( 2.058 0.638 -0.986) 2.370 2.680 ( 9.983 -9.811 6.271) 15.338 2.680 ( 9.983 9.811 6.271) 15.338 3.281 ( -4.203 -12.216 -3.074) 13.279 3.281 ( -4.203 12.216 -3.074) 13.279 5.657 ( 2.902 -2.690 -2.822) 4.860 5.657 ( 2.902 2.690 -2.822) 4.860 6.369 ( 4.387 -2.651 2.283) 5.612 6.369 ( 4.387 2.651 2.283) 5.612 7.262 ( -0.707 -3.250 1.434) 3.622 7.262 ( -0.707 3.250 1.434) 3.622 8.175 ( -2.442 -8.400 1.825) 8.936 8.175 ( -2.442 8.400 1.825) 8.936 8.667 ( 0.882 -4.170 -1.091) 4.400 8.667 ( 0.882 4.170 -1.091) 4.400 9.723 ( 3.298 -1.763 -2.306) 4.393 9.723 ( 3.298 1.763 -2.306) 4.393 ======================= Grid point 45 (25/212) ======================= q-point: ( 0.23 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 2.611 -4.205 4.292) 6.551 0.696 ( 2.611 4.205 4.292) 6.551 1.009 ( 0.941 -7.670 3.001) 8.290 1.009 ( 0.941 7.670 3.001) 8.290 1.140 ( 0.042 -1.497 3.927) 4.203 1.140 ( 0.042 1.497 3.927) 4.203 1.434 ( 4.692 -1.254 -1.173) 4.996 1.434 ( 4.692 1.254 -1.173) 4.996 1.629 ( 1.461 -6.144 0.147) 6.317 1.629 ( 1.461 6.144 0.147) 6.317 1.730 ( -1.873 -4.944 -0.774) 5.343 1.730 ( -1.873 4.944 -0.774) 5.343 2.133 ( 2.031 -1.124 -1.417) 2.719 2.133 ( 2.031 1.124 -1.417) 2.719 2.845 ( 2.599 -2.949 2.123) 4.468 2.845 ( 2.599 2.949 2.123) 4.468 3.225 ( 1.274 -6.358 -0.374) 6.496 3.225 ( 1.274 6.358 -0.374) 6.496 5.692 ( 2.899 -2.832 -3.696) 5.485 5.692 ( 2.899 2.832 -3.696) 5.485 6.453 ( 3.210 -2.672 1.801) 4.549 6.453 ( 3.210 2.672 1.801) 4.549 7.261 ( -0.979 -3.407 2.814) 4.526 7.261 ( -0.979 3.407 2.814) 4.526 8.141 ( -2.246 -8.737 1.580) 9.158 8.141 ( -2.246 8.737 1.580) 9.158 8.681 ( 1.422 -0.821 -1.195) 2.031 8.681 ( 1.422 0.821 -1.195) 2.031 9.782 ( 4.438 -1.798 -2.253) 5.291 9.782 ( 4.438 1.798 -2.253) 5.291 ======================= Grid point 47 (26/212) ======================= q-point: ( 0.31 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 1.538 -3.891 3.736) 5.609 0.765 ( 1.538 3.891 3.736) 5.609 1.042 ( 0.106 -4.803 3.945) 6.216 1.042 ( 0.106 4.803 3.945) 6.216 1.168 ( 1.000 -1.344 1.795) 2.455 1.168 ( 1.000 1.344 1.795) 2.455 1.510 ( 3.839 -1.578 -1.413) 4.385 1.510 ( 3.839 1.578 -1.413) 4.385 1.649 ( -0.070 -2.897 0.324) 2.916 1.649 ( -0.070 2.897 0.324) 2.916 1.715 ( 1.045 -2.581 0.874) 2.919 1.715 ( 1.045 2.581 0.874) 2.919 2.157 ( 1.432 -1.642 -1.710) 2.769 2.157 ( 1.432 1.642 -1.710) 2.769 2.803 ( -4.794 -5.807 -2.421) 7.910 2.803 ( -4.794 5.807 -2.421) 7.910 3.324 ( 6.402 -6.471 2.450) 9.427 3.324 ( 6.402 6.471 2.450) 9.427 5.715 ( 2.011 -7.634 -3.659) 8.701 5.715 ( 2.011 7.634 -3.659) 8.701 6.519 ( 2.731 -1.466 1.760) 3.565 6.519 ( 2.731 1.466 1.760) 3.565 7.253 ( -2.025 -4.294 3.003) 5.617 7.253 ( -2.025 4.294 3.003) 5.617 8.112 ( -1.505 -9.681 0.591) 9.815 8.112 ( -1.505 9.681 0.591) 9.815 8.706 ( 1.846 -2.695 -0.690) 3.338 8.706 ( 1.846 2.695 -0.690) 3.338 9.856 ( 4.537 -2.454 -1.688) 5.428 9.856 ( 4.537 2.454 -1.688) 5.428 ======================= Grid point 49 (27/212) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -0.820 -4.222 2.135) 4.801 0.790 ( -0.820 4.222 2.135) 4.801 1.071 ( 0.637 -1.652 3.402) 3.836 1.071 ( 0.637 1.652 3.402) 3.836 1.197 ( 1.130 -1.693 0.421) 2.079 1.197 ( 1.130 1.693 0.421) 2.079 1.544 ( 1.058 -1.423 -2.590) 3.139 1.544 ( 1.058 1.423 -2.590) 3.139 1.648 ( 0.156 -3.131 1.230) 3.368 1.648 ( 0.156 3.131 1.230) 3.368 1.770 ( 2.866 -2.348 2.372) 4.399 1.770 ( 2.866 2.348 2.372) 4.399 2.163 ( 0.433 -2.282 -1.813) 2.947 2.163 ( 0.433 2.282 -1.813) 2.947 2.691 ( -4.571 -7.557 -2.581) 9.201 2.691 ( -4.571 7.557 -2.581) 9.201 3.446 ( 4.643 -10.588 1.633) 11.676 3.446 ( 4.643 10.588 1.633) 11.676 5.723 ( 1.035 -11.009 -2.635) 11.367 5.723 ( 1.035 11.009 -2.635) 11.367 6.579 ( 2.373 -1.048 1.672) 3.086 6.579 ( 2.373 1.048 1.672) 3.086 7.225 ( -2.425 -4.383 2.009) 5.397 7.225 ( -2.425 4.383 2.009) 5.397 8.092 ( -0.783 -10.830 -0.133) 10.859 8.092 ( -0.783 10.830 -0.133) 10.859 8.738 ( 1.634 -5.289 -0.174) 5.538 8.738 ( 1.634 5.289 -0.174) 5.539 9.924 ( 3.388 -3.186 -0.978) 4.753 9.924 ( 3.388 3.186 -0.978) 4.753 ======================= Grid point 51 (28/212) ======================= q-point: ( 0.46 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -0.880 -4.546 0.613) 4.671 0.778 ( -0.880 4.546 0.613) 4.671 1.102 ( 0.552 -0.676 1.501) 1.736 1.102 ( 0.552 0.676 1.501) 1.736 1.212 ( 0.389 -1.026 -0.138) 1.106 1.212 ( 0.389 1.026 -0.138) 1.106 1.535 ( -0.089 -0.465 -1.126) 1.221 1.535 ( -0.089 0.465 -1.126) 1.221 1.663 ( 0.391 -0.924 0.490) 1.116 1.663 ( 0.391 0.924 0.490) 1.116 1.830 ( 1.517 -0.763 1.474) 2.249 1.830 ( 1.517 0.763 1.474) 2.249 2.154 ( -0.175 -2.971 -1.010) 3.143 2.154 ( -0.175 2.971 -1.010) 3.143 2.617 ( -1.761 -7.414 -1.039) 7.691 2.617 ( -1.761 7.414 -1.039) 7.691 3.512 ( 1.583 -12.529 0.490) 12.639 3.512 ( 1.583 12.529 0.490) 12.639 5.724 ( 0.304 -12.695 -0.951) 12.734 5.724 ( 0.304 12.695 -0.951) 12.734 6.622 ( 1.046 -2.521 0.751) 2.831 6.622 ( 1.046 2.521 0.751) 2.831 7.197 ( -1.153 -3.499 0.640) 3.740 7.197 ( -1.153 3.499 0.640) 3.740 8.082 ( -0.229 -11.576 -0.149) 11.579 8.082 ( -0.229 11.576 -0.149) 11.579 8.760 ( 0.652 -6.598 -0.001) 6.631 8.760 ( 0.652 6.598 -0.001) 6.631 9.965 ( 1.253 -3.604 -0.312) 3.829 9.965 ( 1.253 3.604 -0.312) 3.829 ======================= Grid point 91 (29/212) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( 0.119 0.000 12.815) 12.816 0.296 ( 5.908 0.000 12.244) 13.595 0.636 ( 5.457 0.000 1.418) 5.638 0.650 ( 8.824 0.000 29.706) 30.989 0.880 ( -1.813 0.000 6.691) 6.933 1.054 ( -2.207 0.000 1.169) 2.498 1.132 ( 2.044 0.000 -3.264) 3.851 1.307 ( -3.528 0.000 1.716) 3.923 1.397 ( -1.437 0.000 0.463) 1.510 1.494 ( -0.391 0.000 0.898) 0.980 1.715 ( 3.841 0.000 0.303) 3.853 1.971 ( -1.640 0.000 1.313) 2.101 1.994 ( 0.731 0.000 0.387) 0.827 2.046 ( 0.091 0.000 0.761) 0.767 2.323 ( -1.695 0.000 -0.951) 1.944 2.857 ( 1.239 0.000 -5.183) 5.329 2.952 ( 10.700 0.000 2.306) 10.946 4.023 ( -6.182 0.000 -3.911) 7.316 5.319 ( 0.339 0.000 2.954) 2.974 5.858 ( -7.332 0.000 -5.023) 8.888 6.141 ( 4.863 0.000 3.237) 5.842 6.177 ( 4.370 0.000 -2.193) 4.890 7.300 ( -1.284 0.000 -5.203) 5.359 7.326 ( 13.730 0.000 -9.889) 16.920 7.955 ( -5.823 0.000 12.548) 13.834 8.348 ( 3.546 0.000 5.225) 6.315 8.587 ( 2.549 0.000 -1.534) 2.975 8.957 ( -2.386 0.000 -2.456) 3.424 9.603 ( -1.341 0.000 0.343) 1.385 9.666 ( -12.515 0.000 -0.876) 12.545 ======================= Grid point 92 (30/212) ======================= q-point: ( 0.08 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 6.971 0.000 10.163) 12.324 0.533 ( 10.293 0.000 8.280) 13.210 0.746 ( 3.594 0.000 4.984) 6.145 0.906 ( -0.258 0.000 6.641) 6.646 1.018 ( 9.780 0.000 13.241) 16.461 1.084 ( 5.130 0.000 0.558) 5.161 1.172 ( 4.549 0.000 -2.024) 4.979 1.339 ( 3.249 0.000 3.852) 5.039 1.365 ( -1.433 0.000 1.413) 2.013 1.498 ( 0.159 0.000 0.801) 0.817 1.824 ( 5.994 0.000 1.568) 6.196 1.945 ( -0.922 0.000 0.304) 0.970 1.998 ( -0.281 0.000 0.843) 0.889 2.072 ( 1.608 0.000 0.983) 1.885 2.298 ( 0.197 0.000 -1.076) 1.094 2.801 ( -3.497 0.000 -5.820) 6.790 3.143 ( 7.335 0.000 9.464) 11.974 3.830 ( -9.189 0.000 -9.797) 13.431 5.406 ( 6.288 0.000 4.030) 7.469 5.679 ( -7.189 0.000 -5.698) 9.173 6.270 ( 6.304 0.000 1.110) 6.401 6.335 ( 12.039 0.000 -7.994) 14.451 7.232 ( -1.775 0.000 -5.602) 5.876 7.402 ( 2.393 0.000 -6.487) 6.914 7.909 ( -7.568 0.000 13.646) 15.604 8.477 ( 5.316 0.000 7.170) 8.925 8.620 ( 1.351 0.000 0.707) 1.525 8.867 ( -4.209 0.000 -5.275) 6.749 9.550 ( -1.122 0.000 0.761) 1.355 9.605 ( 1.759 0.000 -0.727) 1.904 ======================= Grid point 93 (31/212) ======================= q-point: ( 0.15 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 7.639 0.000 8.158) 11.176 0.751 ( 6.951 0.000 4.885) 8.495 0.826 ( 1.800 0.000 7.784) 7.989 0.970 ( 3.453 0.000 4.116) 5.373 1.139 ( 3.178 0.000 -2.947) 4.334 1.233 ( 9.123 0.000 0.923) 9.170 1.260 ( 3.938 0.000 -0.362) 3.955 1.306 ( -2.798 0.000 0.202) 2.806 1.490 ( 5.004 0.000 4.915) 7.014 1.510 ( 0.617 0.000 0.671) 0.911 1.849 ( -2.618 0.000 -0.709) 2.713 2.000 ( -0.136 0.000 1.137) 1.145 2.051 ( 9.109 0.000 3.039) 9.603 2.108 ( 1.402 0.000 0.555) 1.508 2.333 ( 4.144 0.000 0.655) 4.195 2.652 ( -7.720 0.000 -6.927) 10.372 3.376 ( 9.208 0.000 14.192) 16.917 3.569 ( -10.226 0.000 -13.261) 16.746 5.526 ( -5.338 0.000 -4.808) 7.184 5.595 ( 10.424 0.000 4.520) 11.362 6.370 ( 4.262 0.000 -1.982) 4.700 6.485 ( 8.993 0.000 -6.941) 11.360 7.176 ( -0.522 0.000 -4.483) 4.513 7.389 ( -0.320 0.000 -2.210) 2.233 7.859 ( -7.065 0.000 13.557) 15.288 8.595 ( 2.166 0.000 2.327) 3.179 8.679 ( 3.680 0.000 7.903) 8.718 8.739 ( -4.779 0.000 -7.516) 8.906 9.567 ( 2.691 0.000 -2.351) 3.573 9.660 ( 4.887 0.000 -2.014) 5.285 ======================= Grid point 94 (32/212) ======================= q-point: ( 0.23 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 5.959 0.000 6.252) 8.637 0.823 ( -0.733 0.000 7.447) 7.483 0.967 ( 6.567 0.000 4.770) 8.116 1.071 ( 4.946 0.000 1.532) 5.178 1.152 ( 0.697 0.000 -4.399) 4.454 1.262 ( -1.345 0.000 -0.057) 1.346 1.318 ( 2.353 0.000 -0.784) 2.480 1.397 ( 6.869 0.000 -0.154) 6.871 1.535 ( 1.833 0.000 0.925) 2.053 1.568 ( 1.595 0.000 1.206) 2.000 1.795 ( -1.410 0.000 -2.129) 2.553 2.010 ( 0.371 0.000 1.440) 1.487 2.119 ( -0.422 0.000 -1.765) 1.814 2.203 ( 5.419 0.000 0.041) 5.419 2.445 ( -8.267 0.000 -6.844) 10.733 2.469 ( 8.521 0.000 1.882) 8.727 3.291 ( -9.724 0.000 -13.670) 16.776 3.654 ( 9.698 0.000 15.129) 17.971 5.416 ( -3.775 0.000 -2.691) 4.636 5.838 ( 11.815 0.000 4.212) 12.543 6.402 ( 1.451 0.000 -4.181) 4.426 6.590 ( 6.054 0.000 -4.301) 7.426 7.157 ( 1.139 0.000 -3.644) 3.818 7.371 ( -0.250 0.000 -1.373) 1.396 7.806 ( -7.967 0.000 12.962) 15.215 8.606 ( -3.546 0.000 -7.963) 8.717 8.615 ( -0.542 0.000 2.120) 2.189 8.826 ( 5.126 0.000 8.598) 10.010 9.608 ( 3.468 0.000 -3.253) 4.755 9.757 ( 6.952 0.000 -2.982) 7.564 ======================= Grid point 95 (33/212) ======================= q-point: ( 0.31 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -0.748 0.000 6.780) 6.821 0.939 ( 3.007 0.000 3.853) 4.887 1.092 ( 3.132 0.000 4.495) 5.479 1.119 ( -1.210 0.000 -3.033) 3.265 1.176 ( 6.172 0.000 -0.748) 6.217 1.246 ( 0.351 0.000 -2.770) 2.792 1.344 ( 0.422 0.000 0.936) 1.027 1.465 ( 1.510 0.000 -1.447) 2.091 1.586 ( 0.272 0.000 0.315) 0.416 1.588 ( 2.510 0.000 0.105) 2.513 1.780 ( 1.652 0.000 -3.279) 3.672 1.981 ( -5.456 0.000 -5.400) 7.676 2.096 ( 2.324 0.000 0.108) 2.326 2.278 ( 3.433 0.000 -1.007) 3.578 2.314 ( -2.278 0.000 -1.941) 2.993 2.633 ( 7.668 0.000 0.075) 7.668 3.042 ( -7.725 0.000 -11.419) 13.786 3.908 ( 7.229 0.000 12.256) 14.229 5.348 ( -2.745 0.000 0.278) 2.759 6.076 ( 10.599 0.000 3.011) 11.019 6.384 ( -0.007 0.000 -4.490) 4.490 6.657 ( 3.444 0.000 -2.695) 4.373 7.164 ( 2.022 0.000 -3.929) 4.419 7.355 ( 0.270 0.000 -5.426) 5.433 7.726 ( -9.462 0.000 15.327) 18.012 8.518 ( -0.830 0.000 -5.948) 6.005 8.612 ( -1.351 0.000 2.521) 2.860 8.965 ( 4.083 0.000 6.806) 7.936 9.654 ( 3.494 0.000 -3.260) 4.778 9.873 ( 7.253 0.000 -3.482) 8.046 ======================= Grid point 96 (34/212) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -1.905 0.000 2.976) 3.533 0.982 ( 0.008 0.000 1.161) 1.161 1.078 ( -1.161 0.000 -2.619) 2.865 1.145 ( 0.441 0.000 2.523) 2.561 1.235 ( 0.636 0.000 -3.541) 3.597 1.289 ( 5.747 0.000 -0.040) 5.747 1.352 ( -0.246 0.000 1.555) 1.574 1.461 ( -0.410 0.000 -1.382) 1.442 1.593 ( 0.118 0.000 1.389) 1.394 1.619 ( 1.352 0.000 -0.902) 1.625 1.807 ( 3.352 0.000 -4.024) 5.237 1.822 ( -4.606 0.000 -7.396) 8.713 2.182 ( 4.136 0.000 3.279) 5.278 2.291 ( -0.468 0.000 -0.257) 0.534 2.327 ( 2.429 0.000 -1.001) 2.627 2.751 ( 5.187 0.000 -1.100) 5.302 2.871 ( -3.520 0.000 -7.116) 7.939 4.063 ( 2.401 0.000 6.723) 7.139 5.316 ( -1.829 0.000 3.405) 3.865 6.263 ( 7.534 0.000 1.195) 7.628 6.359 ( 0.326 0.000 -3.265) 3.281 6.681 ( 0.784 0.000 -2.509) 2.629 7.177 ( 2.151 0.000 -4.710) 5.177 7.275 ( -2.875 0.000 -13.532) 13.834 7.694 ( -5.428 0.000 21.447) 22.123 8.496 ( 1.170 0.000 -2.823) 3.056 8.596 ( -1.861 0.000 1.839) 2.616 9.059 ( 1.814 0.000 4.526) 4.876 9.696 ( 3.083 0.000 -2.847) 4.197 9.976 ( 5.825 0.000 -3.628) 6.862 ======================= Grid point 97 (35/212) ======================= q-point: ( 0.46 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -4.279 0.000 -3.206) 5.347 0.965 ( -1.505 0.000 -1.140) 1.888 1.041 ( -0.630 0.000 -3.402) 3.459 1.153 ( -0.816 0.000 1.337) 1.566 1.228 ( 0.968 0.000 -3.027) 3.178 1.359 ( -0.021 0.000 1.718) 1.718 1.375 ( 2.365 0.000 0.325) 2.387 1.455 ( 0.850 0.000 0.231) 0.880 1.611 ( 0.291 0.000 2.697) 2.713 1.629 ( 0.545 0.000 -1.208) 1.325 1.760 ( 2.195 0.000 -3.387) 4.036 1.843 ( 2.901 0.000 -3.964) 4.912 2.243 ( -1.271 0.000 2.699) 2.984 2.289 ( 1.130 0.000 0.073) 1.132 2.357 ( 1.268 0.000 -0.689) 1.443 2.814 ( 2.310 0.000 -1.340) 2.670 2.841 ( 3.362 0.000 -0.573) 3.410 4.076 ( -3.470 0.000 0.036) 3.470 5.324 ( -0.581 0.000 6.121) 6.148 6.363 ( 1.690 0.000 -1.247) 2.100 6.364 ( 2.657 0.000 -0.491) 2.702 6.659 ( -0.730 0.000 -3.593) 3.666 7.095 ( -5.077 0.000 -16.034) 16.819 7.183 ( 1.892 0.000 -5.259) 5.589 7.788 ( -0.416 0.000 22.667) 22.671 8.516 ( 1.771 0.000 -0.280) 1.793 8.565 ( -2.152 0.000 0.278) 2.169 9.086 ( -1.336 0.000 2.104) 2.492 9.732 ( 2.362 0.000 -2.062) 3.135 10.039 ( 3.214 0.000 -3.504) 4.755 ======================= Grid point 98 (36/212) ======================= q-point: (-0.46 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -4.564 0.000 -6.850) 8.231 0.915 ( -2.397 0.000 -3.255) 4.043 1.014 ( 0.502 0.000 -4.139) 4.170 1.124 ( -2.684 0.000 -0.521) 2.734 1.235 ( 1.619 0.000 -2.125) 2.671 1.359 ( -2.734 0.000 -0.876) 2.871 1.372 ( 0.081 0.000 1.832) 1.833 1.512 ( 2.910 0.000 3.176) 4.308 1.635 ( 0.187 0.000 3.196) 3.202 1.640 ( 1.135 0.000 -0.713) 1.340 1.835 ( 6.192 0.000 -1.084) 6.286 1.860 ( 1.369 0.000 -3.224) 3.503 2.196 ( -3.951 0.000 1.375) 4.184 2.307 ( 0.205 0.000 0.127) 0.242 2.364 ( -0.148 0.000 -0.343) 0.374 2.819 ( -1.078 0.000 -1.221) 1.629 2.986 ( 9.338 0.000 6.452) 11.350 3.934 ( -9.112 0.000 -6.688) 11.303 5.374 ( 1.016 0.000 8.224) 8.287 6.341 ( -4.488 0.000 -1.551) 4.748 6.406 ( 2.871 0.000 0.736) 2.964 6.624 ( 0.310 0.000 -5.444) 5.453 6.911 ( -2.925 0.000 -16.095) 16.359 7.181 ( 1.483 0.000 -5.211) 5.418 7.941 ( 0.694 0.000 21.985) 21.996 8.520 ( -2.016 0.000 -1.791) 2.697 8.555 ( 2.128 0.000 1.354) 2.522 9.035 ( -4.661 0.000 -0.159) 4.663 9.759 ( 1.504 0.000 -0.887) 1.746 10.050 ( 0.157 0.000 -3.112) 3.116 ======================= Grid point 99 (37/212) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -3.157 0.000 -8.343) 8.920 0.830 ( -3.941 0.000 -4.974) 6.346 1.011 ( 2.033 0.000 -4.241) 4.703 1.044 ( -4.835 0.000 -2.258) 5.336 1.262 ( 2.232 0.000 -1.115) 2.495 1.292 ( -3.778 0.000 -0.204) 3.783 1.383 ( -0.146 0.000 1.561) 1.568 1.569 ( 0.402 0.000 3.552) 3.574 1.647 ( -0.695 0.000 0.358) 0.782 1.652 ( -0.677 0.000 2.841) 2.920 1.855 ( 0.122 0.000 -2.122) 2.125 1.927 ( 3.011 0.000 -3.016) 4.262 2.157 ( -0.078 0.000 2.708) 2.709 2.309 ( 0.977 0.000 -0.809) 1.268 2.345 ( -1.738 0.000 -0.139) 1.744 2.752 ( -5.373 0.000 -1.352) 5.541 3.249 ( 11.921 0.000 11.151) 16.324 3.660 ( -12.922 0.000 -12.390) 17.902 5.465 ( 2.427 0.000 9.688) 9.987 6.191 ( -9.616 0.000 -2.111) 9.845 6.469 ( 2.573 0.000 1.681) 3.073 6.593 ( 0.576 0.000 -7.020) 7.044 6.793 ( 1.170 0.000 -15.403) 15.447 7.175 ( 1.304 0.000 -4.310) 4.503 8.073 ( -1.576 0.000 20.297) 20.358 8.470 ( -1.172 0.000 -3.956) 4.126 8.619 ( 3.517 0.000 2.564) 4.353 8.913 ( -7.307 0.000 -1.924) 7.557 9.778 ( 0.727 0.000 0.613) 0.951 10.008 ( -2.615 0.000 -2.434) 3.573 ======================= Grid point 100 (38/212) ======================= q-point: (-0.31 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -0.743 0.000 -8.972) 9.003 0.703 ( -5.899 0.000 -5.503) 8.067 0.914 ( -6.985 0.000 -3.532) 7.828 1.033 ( 3.031 0.000 -4.411) 5.352 1.213 ( -5.058 0.000 1.268) 5.214 1.299 ( 1.771 0.000 0.267) 1.791 1.383 ( -0.746 0.000 0.538) 0.920 1.568 ( -3.051 0.000 2.645) 4.038 1.599 ( -4.677 0.000 1.086) 4.802 1.639 ( -2.746 0.000 2.253) 3.552 1.847 ( 0.386 0.000 -0.975) 1.049 1.914 ( -0.013 0.000 -3.707) 3.707 2.184 ( -0.953 0.000 1.941) 2.163 2.290 ( -4.403 0.000 -0.695) 4.458 2.385 ( 8.441 0.000 -1.458) 8.566 2.595 ( -9.714 0.000 -2.161) 9.951 3.320 ( -12.675 0.000 -15.308) 19.875 3.554 ( 11.653 0.000 13.056) 17.500 5.582 ( 3.027 0.000 10.269) 10.705 5.970 ( -12.083 0.000 -1.911) 12.234 6.505 ( -0.126 0.000 0.717) 0.728 6.568 ( 1.950 0.000 -6.960) 7.228 6.742 ( 3.394 0.000 -15.447) 15.815 7.183 ( 2.018 0.000 -2.348) 3.096 8.131 ( -5.119 0.000 17.588) 18.318 8.430 ( 0.352 0.000 -5.853) 5.863 8.722 ( 5.019 0.000 3.623) 6.190 8.746 ( -8.470 0.000 -2.746) 8.905 9.796 ( 0.289 0.000 2.249) 2.267 9.926 ( -4.525 0.000 -1.503) 4.769 ======================= Grid point 101 (39/212) ======================= q-point: (-0.23 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 2.089 0.000 -8.680) 8.928 0.540 ( -7.785 0.000 -4.721) 9.105 0.737 ( -9.114 0.000 -4.105) 9.996 1.061 ( 2.909 0.000 -5.235) 5.989 1.114 ( -6.975 0.000 3.090) 7.629 1.315 ( -2.796 0.000 1.928) 3.396 1.355 ( -1.234 0.000 -1.151) 1.688 1.443 ( -9.504 0.000 1.380) 9.604 1.551 ( -2.260 0.000 1.422) 2.670 1.567 ( -6.246 0.000 2.041) 6.571 1.868 ( 2.095 0.000 0.326) 2.120 1.909 ( 1.634 0.000 -2.889) 3.319 2.130 ( -10.778 0.000 -4.916) 11.846 2.153 ( -2.727 0.000 0.965) 2.892 2.421 ( -5.799 0.000 -0.527) 5.823 2.560 ( 10.318 0.000 -2.561) 10.631 3.018 ( -9.091 0.000 -14.072) 16.753 3.834 ( 8.993 0.000 12.204) 15.160 5.704 ( 2.950 0.000 9.580) 10.023 5.726 ( -12.392 0.000 -1.125) 12.443 6.460 ( -4.421 0.000 -1.597) 4.700 6.580 ( 3.031 0.000 -6.180) 6.883 6.716 ( 4.805 0.000 -15.420) 16.151 7.226 ( 3.319 0.000 -0.238) 3.328 8.115 ( -7.469 0.000 15.180) 16.918 8.405 ( 0.904 0.000 -7.381) 7.436 8.581 ( -6.543 0.000 -1.911) 6.816 8.841 ( 4.781 0.000 3.573) 5.969 9.822 ( 0.473 0.000 3.591) 3.622 9.825 ( -5.302 0.000 -0.471) 5.323 ======================= Grid point 102 (40/212) ======================= q-point: (-0.15 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( -9.075 0.000 -2.100) 9.315 0.417 ( 0.427 0.000 -7.263) 7.275 0.539 ( -7.266 0.000 -2.462) 7.672 0.998 ( -7.657 0.000 4.979) 9.134 1.015 ( -11.028 0.000 -6.314) 12.708 1.152 ( -7.317 0.000 0.852) 7.366 1.271 ( -9.110 0.000 1.246) 9.195 1.361 ( 0.241 0.000 1.951) 1.966 1.479 ( -3.069 0.000 1.161) 3.282 1.521 ( -1.694 0.000 1.039) 1.987 1.889 ( -4.034 0.000 -7.644) 8.643 1.932 ( 2.179 0.000 -1.770) 2.808 1.942 ( -0.123 0.000 1.150) 1.157 2.105 ( -2.763 0.000 0.676) 2.844 2.364 ( -1.608 0.000 1.819) 2.428 2.720 ( 8.553 0.000 -3.824) 9.369 2.801 ( -5.411 0.000 -9.989) 11.360 4.031 ( 4.370 0.000 8.687) 9.725 5.505 ( -10.256 0.000 0.098) 10.256 5.816 ( 3.226 0.000 7.608) 8.264 6.325 ( -7.796 0.000 -3.344) 8.483 6.534 ( -1.637 0.000 -15.706) 15.791 6.783 ( 9.826 0.000 -4.341) 10.742 7.292 ( 3.325 0.000 -0.100) 3.327 8.056 ( -8.361 0.000 13.749) 16.092 8.344 ( -2.475 0.000 -5.263) 5.816 8.516 ( 0.791 0.000 -1.928) 2.084 8.936 ( 3.074 0.000 2.306) 3.843 9.727 ( -4.978 0.000 0.380) 4.992 9.862 ( 1.384 0.000 2.936) 3.246 ======================= Grid point 103 (41/212) ======================= q-point: (-0.08 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.225 ( -4.131 0.000 10.404) 11.194 0.270 ( -8.768 0.000 2.936) 9.246 0.537 ( 4.777 0.000 -1.839) 5.119 0.632 ( -21.401 0.000 10.641) 23.901 0.906 ( -5.480 0.000 6.193) 8.269 1.124 ( 1.106 0.000 -2.925) 3.127 1.131 ( -6.466 0.000 1.344) 6.604 1.373 ( -1.431 0.000 3.465) 3.748 1.439 ( -1.404 0.000 -4.529) 4.741 1.502 ( -1.040 0.000 0.934) 1.398 1.740 ( -4.322 0.000 -7.517) 8.671 1.965 ( 2.047 0.000 -0.579) 2.127 1.980 ( 0.128 0.000 2.117) 2.121 2.063 ( -1.977 0.000 0.628) 2.074 2.356 ( -1.338 0.000 1.330) 1.887 2.744 ( 5.189 0.000 0.435) 5.207 2.825 ( 5.367 0.000 -4.670) 7.114 4.099 ( -1.261 0.000 2.881) 3.145 5.357 ( -5.724 0.000 1.548) 5.930 5.917 ( 2.680 0.000 3.555) 4.452 6.150 ( -7.166 0.000 -2.520) 7.596 6.318 ( -9.519 0.000 -14.716) 17.526 7.026 ( 16.951 0.000 0.459) 16.957 7.329 ( 1.147 0.000 -2.577) 2.821 7.990 ( -7.446 0.000 13.466) 15.388 8.295 ( -0.170 0.000 0.279) 0.327 8.545 ( 3.077 0.000 -2.395) 3.899 8.980 ( 0.612 0.000 0.251) 0.661 9.648 ( -3.654 0.000 0.729) 3.726 9.873 ( -2.033 0.000 -5.402) 5.772 ======================= Grid point 104 (42/212) ======================= q-point: ( 0.00 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 3.709 6.246 10.290) 12.596 0.445 ( -2.230 13.047 6.540) 14.764 0.658 ( 3.945 1.817 1.942) 4.758 0.772 ( 5.424 5.562 3.876) 8.683 1.044 ( -1.701 9.986 9.894) 14.160 1.099 ( 4.255 6.056 0.480) 7.417 1.185 ( -0.776 6.164 1.097) 6.308 1.321 ( -2.395 1.125 0.480) 2.689 1.410 ( -0.384 2.015 1.517) 2.552 1.442 ( -0.554 -4.229 0.835) 4.346 1.696 ( 2.071 -0.746 -0.537) 2.266 1.992 ( -1.924 1.476 0.903) 2.587 2.005 ( 1.337 0.504 0.063) 1.430 2.064 ( 0.503 1.336 0.861) 1.667 2.265 ( -1.332 -4.877 -0.550) 5.086 2.755 ( 6.486 -6.976 -0.318) 9.531 3.023 ( 2.158 6.114 1.551) 6.666 3.945 ( -6.018 -7.568 -2.650) 10.026 5.353 ( 0.188 3.280 2.529) 4.146 5.889 ( -9.100 -0.674 -6.881) 11.428 6.126 ( 10.898 0.199 0.541) 10.914 6.206 ( 1.596 1.315 -1.449) 2.525 7.170 ( 7.018 -4.320 1.460) 8.369 7.359 ( -0.477 -0.124 -9.642) 9.655 7.962 ( -4.974 2.115 9.085) 10.571 8.429 ( 3.349 4.086 5.143) 7.372 8.547 ( 1.838 -2.987 -0.561) 3.552 8.928 ( -2.447 -2.651 -1.174) 3.794 9.573 ( -1.953 -0.118 0.274) 1.976 9.697 ( -5.443 0.744 -1.749) 5.765 ======================= Grid point 105 (43/212) ======================= q-point: ( 0.08 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 3.479 4.806 9.030) 10.805 0.581 ( 7.796 4.505 9.162) 12.845 0.739 ( 2.277 -0.596 5.600) 6.074 0.907 ( 5.543 2.590 1.628) 6.332 1.074 ( 2.810 2.793 1.475) 4.227 1.183 ( 2.398 1.264 -2.222) 3.505 1.245 ( 2.798 9.870 5.580) 11.678 1.356 ( 5.033 1.751 4.462) 6.950 1.390 ( -2.195 2.671 0.764) 3.541 1.448 ( 0.576 -3.113 0.970) 3.311 1.780 ( 5.354 -3.300 1.364) 6.435 1.951 ( -2.622 1.012 -0.043) 2.811 2.034 ( 1.931 1.930 0.536) 2.782 2.098 ( 2.119 1.791 0.969) 2.939 2.255 ( 1.242 -2.594 0.623) 2.943 2.819 ( 0.188 0.142 -4.475) 4.481 3.111 ( 5.029 -0.800 9.789) 11.035 3.766 ( -8.881 -6.033 -7.983) 13.379 5.430 ( 5.682 2.289 3.479) 7.045 5.696 ( -7.032 0.779 -5.665) 9.063 6.268 ( 5.195 -0.264 -0.217) 5.206 6.340 ( 11.721 -0.433 -6.599) 13.458 7.245 ( -0.781 0.709 -2.789) 2.982 7.305 ( 2.212 -5.473 -2.970) 6.608 7.930 ( -5.026 3.059 10.136) 11.720 8.511 ( 2.158 -0.803 2.917) 3.716 8.591 ( 2.131 -0.328 3.861) 4.422 8.849 ( -4.219 -1.834 -3.334) 5.681 9.559 ( 0.850 1.201 -1.234) 1.921 9.636 ( 0.217 1.784 -1.657) 2.445 ======================= Grid point 106 (44/212) ======================= q-point: ( 0.15 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 5.254 0.127 8.088) 9.646 0.773 ( 6.293 1.505 5.867) 8.734 0.816 ( 2.415 -0.425 6.644) 7.082 1.003 ( 3.602 3.321 3.103) 5.799 1.161 ( 3.770 1.057 -1.064) 4.058 1.236 ( 5.815 0.398 -1.736) 6.081 1.298 ( 1.784 2.468 0.685) 3.121 1.349 ( -1.931 2.993 0.106) 3.563 1.456 ( 2.629 -3.571 1.028) 4.552 1.500 ( 3.198 1.551 2.718) 4.474 1.853 ( 0.006 -1.797 0.271) 1.817 1.911 ( -0.404 -2.924 0.239) 2.961 2.086 ( 2.902 0.829 0.075) 3.019 2.136 ( 1.690 -0.872 -1.133) 2.214 2.355 ( 7.607 4.992 3.973) 9.928 2.722 ( -5.795 5.273 -5.895) 9.805 3.327 ( 8.928 -4.021 13.641) 16.792 3.526 ( -9.681 -4.023 -11.100) 15.268 5.550 ( -4.944 1.948 -4.721) 7.108 5.599 ( 9.402 0.433 3.858) 10.172 6.358 ( 4.776 -1.104 -2.099) 5.333 6.477 ( 7.562 -1.178 -6.880) 10.291 7.199 ( -0.415 1.990 -3.639) 4.169 7.338 ( 1.120 -3.455 0.335) 3.648 7.900 ( -5.409 4.097 10.817) 12.769 8.544 ( 0.488 -5.000 0.246) 5.030 8.685 ( 3.583 0.645 7.799) 8.607 8.736 ( -4.716 -0.524 -4.520) 6.553 9.584 ( 2.923 1.439 -2.848) 4.327 9.669 ( 4.333 0.627 -2.536) 5.060 ======================= Grid point 107 (45/212) ======================= q-point: ( 0.23 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 2.583 -2.300 7.419) 8.186 0.864 ( 2.229 0.644 4.275) 4.864 0.944 ( 5.470 -0.806 3.858) 6.742 1.089 ( 3.553 2.095 2.202) 4.676 1.181 ( 0.009 1.312 -1.174) 1.761 1.297 ( 0.860 0.478 -1.497) 1.791 1.324 ( 0.009 2.598 0.447) 2.636 1.388 ( 6.057 -1.119 -0.534) 6.183 1.531 ( 4.799 -0.113 1.363) 4.990 1.550 ( 1.263 -0.428 -0.049) 1.334 1.816 ( -1.735 1.089 -1.822) 2.741 1.924 ( 0.371 -6.229 1.150) 6.345 2.112 ( -0.142 -0.587 -1.644) 1.751 2.166 ( 2.905 -3.007 -1.810) 4.556 2.503 ( 0.239 6.659 -2.397) 7.082 2.599 ( 2.192 8.548 -0.688) 8.851 3.271 ( -8.909 -1.783 -12.170) 15.187 3.595 ( 9.224 -5.297 14.196) 17.738 5.448 ( -3.366 2.865 -2.856) 5.263 5.814 ( 10.403 -2.169 3.442) 11.170 6.412 ( 2.803 0.466 -3.515) 4.520 6.552 ( 4.887 -2.882 -4.661) 7.342 7.184 ( 0.711 2.157 -2.925) 3.703 7.351 ( 0.502 -1.493 -0.779) 1.757 7.858 ( -6.807 4.885 11.395) 14.144 8.539 ( -0.535 -5.252 -1.594) 5.514 8.631 ( -3.535 0.615 -2.340) 4.284 8.812 ( 4.273 -1.408 7.630) 8.858 9.627 ( 3.789 1.666 -3.480) 5.407 9.756 ( 6.620 -0.184 -3.209) 7.359 ======================= Grid point 108 (46/212) ======================= q-point: ( 0.31 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -0.275 -2.335 5.631) 6.102 0.931 ( 2.208 -1.082 2.776) 3.709 1.045 ( 3.587 -2.405 0.331) 4.331 1.142 ( -0.388 1.344 0.994) 1.716 1.177 ( 1.399 1.008 -0.170) 1.733 1.293 ( -0.325 -1.155 0.070) 1.202 1.346 ( 1.830 3.562 0.374) 4.022 1.464 ( 2.596 0.043 -1.851) 3.189 1.559 ( 0.540 -0.718 -1.201) 1.500 1.633 ( 4.346 2.285 1.117) 5.035 1.785 ( 0.068 -0.026 -2.508) 2.509 1.931 ( -0.479 -4.716 -0.858) 4.817 2.075 ( -0.931 -0.481 -2.294) 2.522 2.208 ( 2.441 -3.204 -1.574) 4.324 2.411 ( -2.617 6.054 -3.153) 7.310 2.734 ( 6.992 7.188 0.533) 10.042 3.047 ( -6.725 1.045 -10.417) 12.443 3.833 ( 6.807 -6.821 11.025) 14.643 5.385 ( -2.305 3.550 -0.147) 4.235 6.017 ( 8.814 -5.275 2.143) 10.493 6.424 ( 1.243 3.021 -3.745) 4.970 6.611 ( 3.703 -3.540 -2.527) 5.712 7.179 ( 0.731 1.136 -3.161) 3.437 7.342 ( 0.121 -1.154 -5.085) 5.215 7.795 ( -7.811 6.241 13.721) 16.977 8.509 ( -0.155 -2.537 -4.067) 4.796 8.582 ( -2.058 -0.952 2.267) 3.206 8.933 ( 3.578 -2.980 6.093) 7.669 9.679 ( 3.936 2.192 -3.449) 5.674 9.866 ( 7.038 -0.714 -3.581) 7.929 ======================= Grid point 109 (47/212) ======================= q-point: ( 0.38 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -2.226 -3.130 1.483) 4.117 0.980 ( 1.561 -1.950 1.488) 2.907 1.063 ( -0.853 -0.888 -3.490) 3.701 1.135 ( -0.355 -0.440 2.336) 2.404 1.201 ( 1.017 0.093 -1.550) 1.856 1.297 ( 0.199 -2.400 1.607) 2.895 1.387 ( 2.097 3.975 0.378) 4.510 1.473 ( -0.102 0.857 -0.988) 1.312 1.569 ( 1.550 0.096 -1.039) 1.868 1.696 ( 1.408 4.055 1.086) 4.428 1.779 ( 0.805 -1.191 -3.635) 3.909 1.878 ( -1.030 2.877 -5.326) 6.140 2.100 ( 2.284 -5.448 2.661) 6.478 2.236 ( 1.634 -2.943 -1.547) 3.704 2.381 ( 0.282 3.418 -0.996) 3.571 2.822 ( 1.323 0.013 -2.306) 2.659 2.919 ( 0.442 9.125 -4.795) 10.318 3.976 ( 2.395 -7.848 5.773) 10.033 5.359 ( -1.369 4.077 2.804) 5.134 6.164 ( 5.712 -7.956 0.582) 9.811 6.422 ( 1.054 4.293 -2.799) 5.232 6.652 ( 2.041 -2.122 -2.097) 3.614 7.165 ( -0.117 -0.600 -4.691) 4.730 7.278 ( -1.285 -0.384 -10.477) 10.563 7.771 ( -5.016 6.826 18.142) 20.023 8.492 ( 0.303 -2.295 -2.288) 3.255 8.567 ( -1.178 -0.527 2.572) 2.877 9.016 ( 1.615 -3.872 4.089) 5.858 9.728 ( 3.448 2.750 -3.083) 5.381 9.965 ( 5.705 -1.041 -3.680) 6.868 ======================= Grid point 110 (48/212) ======================= q-point: ( 0.46 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -3.649 -3.268 -3.460) 5.997 0.998 ( -0.911 -3.823 -4.702) 6.128 1.015 ( -0.355 2.773 0.712) 2.885 1.139 ( -0.717 -1.632 0.852) 1.976 1.200 ( 0.293 -0.192 -1.933) 1.964 1.312 ( -0.097 -3.328 1.809) 3.789 1.429 ( 1.702 3.577 1.092) 4.109 1.466 ( 0.171 0.793 0.143) 0.824 1.604 ( 2.392 1.368 -0.368) 2.780 1.697 ( -1.371 2.624 0.717) 3.046 1.766 ( 1.206 1.157 -3.704) 4.064 1.878 ( 3.003 2.593 -3.308) 5.165 2.136 ( -0.897 -6.850 2.165) 7.240 2.260 ( 1.708 -2.451 -0.406) 3.015 2.391 ( 0.839 2.351 0.006) 2.496 2.806 ( 1.248 -2.181 -2.648) 3.650 2.967 ( 3.575 11.106 0.841) 11.697 3.990 ( -2.878 -7.654 -0.207) 8.180 5.370 ( -0.208 4.412 5.431) 7.001 6.239 ( 2.158 -8.977 -0.077) 9.233 6.431 ( 1.520 3.854 -1.770) 4.505 6.653 ( -0.150 -0.530 -3.449) 3.492 7.074 ( -3.661 -0.650 -11.540) 12.124 7.218 ( 1.425 1.518 -7.121) 7.419 7.838 ( -1.413 4.674 20.193) 20.775 8.478 ( -0.964 -4.447 -0.895) 4.638 8.574 ( 0.324 1.928 2.028) 2.817 9.041 ( -1.159 -4.029 2.009) 4.649 9.766 ( 2.450 2.972 -2.439) 4.559 10.027 ( 3.182 -1.199 -3.541) 4.910 ======================= Grid point 111 (49/212) ======================= q-point: (-0.46 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -3.070 -1.649 -6.488) 7.365 0.929 ( -2.836 -0.492 -3.947) 4.885 1.023 ( 1.163 1.186 -2.497) 2.999 1.108 ( -2.796 -1.416 -0.675) 3.206 1.195 ( 0.650 -2.121 -1.989) 2.979 1.307 ( -1.453 -3.317 1.196) 3.814 1.433 ( -0.989 3.945 0.687) 4.124 1.519 ( 3.462 0.776 2.711) 4.465 1.641 ( 1.117 1.481 0.957) 2.087 1.690 ( 0.124 1.904 1.011) 2.159 1.773 ( 1.664 -2.058 -3.397) 4.306 1.907 ( 1.150 0.132 -2.459) 2.718 2.111 ( -1.615 -4.221 1.162) 4.666 2.280 ( 0.239 -2.107 0.165) 2.127 2.410 ( 0.937 3.036 0.727) 3.259 2.831 ( 1.492 -0.696 -1.645) 2.327 3.064 ( 5.425 7.761 5.698) 11.051 3.866 ( -8.056 -6.058 -6.012) 11.736 5.421 ( 1.177 4.418 7.494) 8.779 6.238 ( -2.538 -8.245 -0.182) 8.629 6.457 ( 2.046 3.247 -0.720) 3.905 6.608 ( -1.082 -1.133 -5.800) 6.008 6.933 ( -1.989 2.317 -13.175) 13.524 7.211 ( 1.813 1.907 -5.804) 6.373 7.957 ( -0.245 1.757 20.100) 20.178 8.443 ( -1.681 -5.331 -1.679) 5.836 8.604 ( 1.336 2.895 2.495) 4.049 8.998 ( -4.106 -3.358 0.137) 5.306 9.789 ( 1.276 2.631 -1.449) 3.263 10.037 ( 0.219 -1.196 -3.145) 3.371 ======================= Grid point 112 (50/212) ======================= q-point: (-0.38 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -1.474 1.135 -7.389) 7.620 0.839 ( -3.897 0.268 -4.417) 5.897 1.018 ( -3.151 -0.671 -3.122) 4.486 1.036 ( 0.008 0.596 -3.170) 3.226 1.191 ( -0.261 -3.959 -1.572) 4.268 1.285 ( -1.065 -2.341 0.705) 2.666 1.421 ( -1.015 3.661 1.315) 4.020 1.587 ( 0.713 1.461 3.364) 3.736 1.655 ( -0.851 0.885 1.273) 1.769 1.689 ( -1.826 2.021 1.966) 3.359 1.789 ( 2.543 -5.182 -3.138) 6.570 1.873 ( -1.949 -5.364 -3.364) 6.625 2.124 ( 1.861 -0.609 1.181) 2.287 2.270 ( -1.249 -1.821 -0.131) 2.211 2.443 ( 2.314 5.712 1.165) 6.272 2.802 ( -3.564 3.442 -2.224) 5.431 3.252 ( 8.450 0.691 9.671) 12.861 3.623 ( -11.395 -3.267 -10.410) 15.776 5.508 ( 2.333 3.984 8.955) 10.075 6.137 ( -7.714 -4.958 -0.583) 9.189 6.485 ( 0.789 0.974 -1.745) 2.149 6.562 ( 0.963 -2.477 -5.788) 6.369 6.842 ( 1.175 4.753 -12.744) 13.652 7.208 ( 1.571 2.409 -4.766) 5.566 8.067 ( -1.701 -0.371 18.508) 18.590 8.399 ( -1.174 -5.475 -3.447) 6.576 8.658 ( 2.526 2.594 3.364) 4.942 8.893 ( -6.464 -1.889 -1.210) 6.842 9.797 ( 0.252 1.745 -0.117) 1.767 9.997 ( -2.420 -1.006 -2.461) 3.595 ======================= Grid point 113 (51/212) ======================= q-point: (-0.31 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -0.106 3.694 -6.847) 7.781 0.725 ( -5.019 1.567 -4.725) 7.069 0.888 ( -7.082 -1.766 -3.661) 8.166 1.047 ( 2.539 1.051 -4.521) 5.291 1.153 ( -3.306 -3.870 0.026) 5.090 1.288 ( 0.795 -2.583 0.686) 2.788 1.407 ( -1.443 2.820 1.052) 3.338 1.574 ( -5.827 -0.342 1.808) 6.110 1.580 ( -4.580 -1.417 -0.485) 4.818 1.666 ( -2.468 2.027 2.810) 4.253 1.818 ( 1.458 -2.705 -1.504) 3.421 1.850 ( 2.238 -4.286 -2.482) 5.435 2.161 ( 0.686 -1.599 0.675) 1.867 2.235 ( -2.163 -2.018 -0.674) 3.034 2.527 ( 6.053 8.244 0.859) 10.263 2.662 ( -9.546 6.175 -3.086) 11.780 3.276 ( -10.863 -3.448 -12.413) 16.851 3.535 ( 8.246 -2.065 10.662) 13.636 5.617 ( 2.711 3.119 9.573) 10.427 5.954 ( -10.827 -1.550 -0.763) 10.964 6.458 ( -0.829 -2.478 -4.436) 5.148 6.567 ( 2.108 -2.538 -5.025) 6.012 6.807 ( 3.102 6.748 -11.511) 13.699 7.215 ( 1.882 2.449 -2.832) 4.190 8.120 ( -4.438 -0.942 15.900) 16.535 8.361 ( 0.368 -5.602 -5.358) 7.760 8.739 ( 0.658 0.860 2.259) 2.505 8.753 ( -4.409 0.692 0.269) 4.472 9.798 ( -0.619 0.339 1.263) 1.447 9.922 ( -3.968 -0.512 -1.462) 4.260 ======================= Grid point 114 (52/212) ======================= q-point: (-0.23 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -0.125 4.305 -4.283) 6.074 0.596 ( -4.955 4.079 -4.864) 8.053 0.712 ( -8.737 -0.854 -4.096) 9.687 1.053 ( -2.373 -1.403 -2.657) 3.829 1.077 ( -1.779 -1.445 -0.705) 2.398 1.316 ( 1.397 -2.850 1.108) 3.361 1.367 ( -4.014 2.851 -0.681) 4.971 1.423 ( -7.051 -2.496 0.110) 7.481 1.518 ( -3.726 -1.261 0.646) 3.987 1.613 ( -5.101 3.648 2.558) 6.773 1.835 ( 1.233 -3.593 -1.204) 3.985 1.893 ( 2.750 0.277 -0.264) 2.777 2.150 ( -1.910 -0.529 0.009) 1.982 2.173 ( -4.024 0.134 -2.416) 4.695 2.428 ( -10.977 4.560 -3.207) 12.311 2.669 ( 8.217 8.010 -0.084) 11.476 2.995 ( -8.909 -1.644 -12.942) 15.798 3.770 ( 7.645 -6.084 11.411) 15.023 5.722 ( -1.281 1.327 6.088) 6.361 5.740 ( -7.712 1.519 2.516) 8.253 6.399 ( -2.793 -3.344 -4.425) 6.210 6.551 ( 0.546 -4.481 -8.826) 9.913 6.810 ( 4.464 8.483 -9.029) 13.169 7.250 ( 3.087 1.825 -0.633) 3.641 8.108 ( -6.387 -0.435 13.059) 14.543 8.346 ( 1.919 -5.092 -6.382) 8.387 8.607 ( -6.294 2.272 -0.784) 6.737 8.841 ( 3.562 -0.310 4.028) 5.386 9.778 ( -3.116 -1.638 1.257) 3.738 9.850 ( -2.379 0.278 0.645) 2.481 ======================= Grid point 115 (53/212) ======================= q-point: (-0.15 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -6.269 3.235 2.065) 7.351 0.488 ( -4.783 6.206 -4.154) 8.868 0.558 ( -1.537 4.935 -3.397) 6.185 0.928 ( -8.114 -1.715 0.851) 8.337 1.073 ( 1.211 -0.168 -4.731) 4.886 1.224 ( -8.932 5.371 0.027) 10.423 1.329 ( -4.122 2.195 -0.400) 4.687 1.356 ( 0.100 -1.011 2.870) 3.044 1.446 ( -4.171 -2.012 0.567) 4.665 1.522 ( -5.045 3.643 2.362) 6.656 1.825 ( -2.278 -2.952 -2.033) 4.247 1.943 ( 2.316 2.073 0.100) 3.110 2.046 ( -3.707 4.485 -5.035) 7.695 2.109 ( -2.667 0.489 0.749) 2.813 2.297 ( -2.548 -4.158 0.632) 4.917 2.766 ( -3.507 -2.309 -7.566) 8.653 2.837 ( 5.600 8.524 -3.033) 10.640 3.946 ( 3.829 -7.983 8.546) 12.305 5.531 ( -9.668 2.447 0.373) 9.980 5.831 ( 3.027 0.782 7.378) 8.013 6.285 ( -6.014 -2.617 -5.261) 8.408 6.459 ( -3.464 -5.673 -12.117) 13.821 6.872 ( 7.000 7.237 -4.698) 11.111 7.319 ( 4.325 1.358 -0.618) 4.575 8.058 ( -6.655 0.491 10.589) 12.516 8.342 ( 1.088 -1.418 -4.175) 4.542 8.522 ( -1.950 1.482 -0.211) 2.458 8.918 ( 2.116 -1.745 2.857) 3.960 9.703 ( -4.716 -1.406 0.685) 4.968 9.837 ( -0.799 -1.792 1.698) 2.595 ======================= Grid point 116 (54/212) ======================= q-point: (-0.08 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( -3.985 6.352 5.891) 9.536 0.436 ( -0.736 14.031 6.431) 15.452 0.576 ( 3.840 4.613 -2.545) 6.519 0.777 ( -7.272 4.551 0.637) 8.603 1.041 ( -3.610 10.733 1.850) 11.474 1.095 ( -3.145 2.103 1.653) 4.129 1.228 ( -4.709 6.343 1.077) 7.973 1.384 ( -2.615 -2.084 1.468) 3.651 1.389 ( 0.583 -0.630 0.367) 0.933 1.465 ( -2.478 -0.766 0.969) 2.769 1.732 ( -3.725 0.199 -3.898) 5.396 1.976 ( 1.960 0.662 -1.250) 2.417 2.011 ( -0.625 1.638 0.705) 1.889 2.071 ( -1.653 0.894 0.783) 2.036 2.284 ( -0.574 -5.701 1.014) 5.819 2.677 ( 1.045 -4.381 -3.789) 5.886 2.951 ( 5.566 8.552 -0.815) 10.236 4.011 ( -1.172 -8.354 3.527) 9.144 5.391 ( -5.447 3.296 1.430) 6.525 5.949 ( 5.740 0.072 4.981) 7.600 6.109 ( -8.308 -1.960 -7.605) 11.433 6.284 ( -6.362 -1.979 -7.652) 10.146 7.009 ( 8.829 1.562 -0.495) 8.980 7.382 ( 3.509 1.112 -5.326) 6.474 8.004 ( -5.728 1.568 9.209) 10.958 8.352 ( 1.479 3.680 2.175) 4.523 8.521 ( 1.607 -1.850 -1.348) 2.797 8.952 ( -0.039 -2.622 1.041) 2.821 9.625 ( -3.818 -0.964 0.741) 4.007 9.807 ( -3.492 -3.447 -1.082) 5.025 ======================= Grid point 117 (55/212) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 1.506 6.190 6.543) 9.132 0.672 ( 0.308 -0.734 4.880) 4.944 0.735 ( -2.225 12.956 2.488) 13.379 0.890 ( 5.964 5.659 -4.714) 9.477 1.099 ( 0.582 -0.203 0.451) 0.764 1.183 ( 0.017 1.334 -0.701) 1.507 1.276 ( 0.301 -6.008 0.604) 6.046 1.316 ( 0.818 -1.022 -1.544) 2.024 1.495 ( -1.585 5.534 1.534) 5.958 1.538 ( 0.615 11.785 5.262) 12.921 1.718 ( -1.619 3.752 -3.462) 5.356 1.999 ( -0.617 -2.014 -1.796) 2.769 2.031 ( 1.006 1.970 1.276) 2.554 2.085 ( 0.098 -0.013 0.862) 0.867 2.180 ( 1.363 0.543 3.180) 3.502 2.587 ( 6.649 -9.349 0.042) 11.473 3.195 ( -0.897 10.009 2.115) 10.269 3.721 ( -4.999 -12.777 0.161) 13.721 5.457 ( -0.283 6.381 1.514) 6.564 5.790 ( -4.456 -7.491 -2.295) 9.013 6.156 ( 6.300 2.122 -1.669) 6.854 6.218 ( 1.504 -0.178 -1.950) 2.469 7.164 ( 3.871 2.811 -0.717) 4.837 7.328 ( -0.532 -2.805 -5.672) 6.351 8.053 ( -1.733 6.125 3.446) 7.238 8.375 ( 2.149 -7.260 -1.004) 7.637 8.591 ( -0.092 5.753 6.434) 8.631 8.845 ( -2.715 -5.047 1.852) 6.023 9.602 ( -0.492 2.310 -1.756) 2.943 9.691 ( -2.260 -1.153 -1.830) 3.129 ======================= Grid point 118 (56/212) ======================= q-point: ( 0.08 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 1.281 4.445 7.819) 9.085 0.711 ( 0.872 0.322 5.397) 5.476 0.756 ( 2.560 8.758 4.314) 10.093 0.989 ( 6.397 3.768 -2.160) 7.732 1.119 ( 0.596 0.438 3.042) 3.130 1.198 ( 2.734 1.249 -2.939) 4.204 1.285 ( 0.120 -6.093 0.894) 6.159 1.328 ( 1.327 -1.563 -1.373) 2.468 1.469 ( -1.522 6.261 2.321) 6.849 1.587 ( 0.672 10.483 1.178) 10.570 1.707 ( 1.991 -3.573 -0.629) 4.138 1.944 ( -2.943 -3.368 -2.109) 4.945 2.061 ( 1.570 0.567 -0.198) 1.681 2.088 ( -0.068 -1.647 -0.028) 1.648 2.315 ( 8.949 8.816 5.861) 13.862 2.745 ( 8.022 -7.029 0.441) 10.675 3.179 ( -2.105 6.852 5.005) 8.742 3.588 ( -7.516 -10.147 -3.602) 13.131 5.502 ( 3.743 4.398 1.914) 6.084 5.683 ( -4.264 -2.296 -3.630) 6.052 6.261 ( 4.365 -0.258 -1.581) 4.650 6.303 ( 8.918 -2.397 -3.767) 9.973 7.232 ( 3.086 0.181 1.170) 3.305 7.275 ( -1.046 0.058 -4.130) 4.261 8.043 ( -2.038 7.210 4.453) 8.716 8.397 ( 0.753 -7.809 -0.518) 7.862 8.638 ( 0.482 3.131 6.574) 7.297 8.790 ( -3.796 -3.488 0.513) 5.180 9.597 ( 1.509 2.093 -2.841) 3.838 9.656 ( 0.369 -0.037 -2.637) 2.663 ======================= Grid point 119 (57/212) ======================= q-point: ( 0.15 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 1.605 2.906 7.584) 8.279 0.779 ( 2.368 -1.455 4.903) 5.636 0.859 ( 4.432 5.291 5.129) 8.599 1.085 ( 3.933 2.538 0.293) 4.690 1.155 ( 0.597 -1.254 3.395) 3.668 1.255 ( 5.773 1.824 -3.810) 7.153 1.285 ( -0.899 -3.995 1.385) 4.322 1.358 ( 2.642 -1.887 -0.385) 3.269 1.469 ( 0.845 5.712 0.661) 5.812 1.596 ( 0.615 6.514 -0.851) 6.599 1.751 ( 1.844 -5.890 1.214) 6.290 1.873 ( -2.979 -3.654 -2.366) 5.275 2.086 ( 0.942 -1.452 -1.225) 2.120 2.094 ( 1.514 -0.070 -0.144) 1.522 2.538 ( 10.293 10.566 3.621) 15.189 2.814 ( -0.313 1.862 -4.068) 4.485 3.246 ( 4.642 -2.305 10.433) 11.649 3.409 ( -7.928 -6.546 -5.376) 11.601 5.592 ( -2.571 1.687 -3.362) 4.556 5.612 ( 5.992 0.631 1.650) 6.247 6.336 ( 5.023 -0.455 -2.720) 5.731 6.423 ( 6.451 -3.595 -4.867) 8.845 7.246 ( -0.121 2.111 -1.822) 2.791 7.290 ( 2.191 -0.944 0.992) 2.583 8.030 ( -3.082 7.790 6.121) 10.376 8.400 ( -0.313 -8.172 0.365) 8.186 8.694 ( 1.248 0.146 6.151) 6.278 8.717 ( -3.785 -1.086 -0.464) 3.965 9.621 ( 3.229 1.936 -3.529) 5.160 9.675 ( 3.662 -0.210 -3.278) 4.920 ======================= Grid point 120 (58/212) ======================= q-point: ( 0.23 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 1.575 1.143 6.291) 6.586 0.848 ( 1.880 -1.923 3.147) 4.139 0.965 ( 3.666 2.863 3.316) 5.713 1.140 ( 2.109 0.302 0.021) 2.131 1.180 ( -0.086 -0.232 3.066) 3.076 1.255 ( -2.374 -2.226 2.063) 3.853 1.371 ( 6.987 0.168 -2.825) 7.538 1.405 ( 2.294 1.379 -0.040) 2.677 1.523 ( 4.034 2.723 0.323) 4.877 1.606 ( 1.424 3.961 -0.691) 4.265 1.787 ( 0.978 -5.425 1.432) 5.695 1.806 ( -2.308 -3.669 -2.195) 4.859 2.091 ( 0.547 -0.457 -1.492) 1.654 2.127 ( 2.147 -1.014 -1.315) 2.715 2.669 ( -0.849 8.072 -4.647) 9.352 2.772 ( 2.869 6.407 -0.166) 7.022 3.232 ( -5.528 -0.967 -6.472) 8.566 3.448 ( 7.356 -8.096 11.184) 15.644 5.531 ( -1.629 4.751 -2.631) 5.670 5.746 ( 6.550 -4.249 1.312) 7.917 6.414 ( 4.994 0.130 -2.572) 5.619 6.491 ( 4.191 -2.825 -4.090) 6.502 7.234 ( -0.324 2.516 -1.553) 2.974 7.322 ( 0.972 -1.343 -0.984) 1.928 8.003 ( -4.549 8.448 8.054) 12.528 8.392 ( -1.094 -8.395 1.404) 8.582 8.652 ( -2.453 1.628 -0.571) 2.999 8.766 ( 2.327 -2.851 5.431) 6.561 9.671 ( 4.471 2.265 -3.830) 6.308 9.745 ( 5.919 -0.923 -3.628) 7.003 ======================= Grid point 121 (59/212) ======================= q-point: ( 0.31 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -0.293 0.109 3.417) 3.431 0.885 ( 0.691 -2.959 0.795) 3.141 1.037 ( 2.519 1.597 1.128) 3.188 1.168 ( 0.083 -0.385 1.133) 1.199 1.188 ( -0.079 -0.005 0.753) 0.757 1.235 ( -1.374 -1.877 3.252) 3.998 1.437 ( 2.185 2.928 -1.105) 3.817 1.468 ( 3.698 0.135 -1.890) 4.155 1.569 ( 1.295 2.603 -0.726) 2.996 1.677 ( 5.246 1.839 1.199) 5.687 1.758 ( -1.322 -2.493 -0.753) 2.921 1.823 ( 1.894 -4.994 1.121) 5.457 2.083 ( -0.139 1.065 -2.383) 2.614 2.155 ( 1.916 -2.007 -2.015) 3.429 2.561 ( -4.399 7.834 -4.382) 9.996 2.816 ( 0.095 -1.070 -3.201) 3.377 3.147 ( 0.531 9.181 -3.426) 9.813 3.638 ( 5.853 -11.052 7.689) 14.681 5.496 ( -0.828 6.874 -0.803) 6.970 5.865 ( 5.264 -8.747 0.504) 10.222 6.482 ( 3.501 2.105 -2.445) 4.761 6.546 ( 4.144 -2.160 -2.052) 5.104 7.209 ( -1.041 1.810 -2.298) 3.105 7.308 ( -0.666 -2.077 -4.373) 4.887 7.968 ( -5.046 9.513 10.135) 14.788 8.379 ( -1.584 -8.496 2.460) 8.986 8.622 ( -0.554 3.882 0.005) 3.921 8.844 ( 2.421 -5.166 4.369) 7.186 9.736 ( 4.847 2.970 -3.775) 6.824 9.841 ( 6.487 -1.653 -3.784) 7.690 ======================= Grid point 122 (60/212) ======================= q-point: ( 0.38 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -2.510 -0.798 -0.188) 2.640 0.886 ( 0.014 -5.264 -2.169) 5.693 1.078 ( 1.155 2.005 0.929) 2.494 1.150 ( -2.326 1.169 2.003) 3.285 1.204 ( 1.226 -0.656 -0.901) 1.657 1.236 ( -0.460 -2.577 2.115) 3.365 1.466 ( 1.564 3.007 -0.463) 3.421 1.492 ( 0.682 0.862 -1.209) 1.634 1.600 ( 2.124 2.795 0.137) 3.513 1.737 ( -1.181 -1.117 1.098) 1.962 1.773 ( 4.027 1.263 -0.705) 4.279 1.868 ( 1.835 -3.627 0.165) 4.068 2.062 ( -0.012 1.960 -2.051) 2.837 2.174 ( 1.649 -2.831 -2.182) 3.936 2.481 ( -1.762 6.159 -2.016) 6.716 2.760 ( -1.966 -4.857 -3.907) 6.536 3.180 ( 3.365 13.684 -1.221) 14.145 3.756 ( 2.616 -12.386 3.517) 13.139 5.489 ( -0.153 8.176 1.456) 8.306 5.949 ( 3.547 -11.682 0.149) 12.209 6.513 ( 1.701 3.886 -2.403) 4.875 6.612 ( 3.451 -1.585 -1.530) 4.094 7.165 ( -1.684 0.812 -3.972) 4.390 7.250 ( -1.067 -2.118 -6.593) 7.007 7.954 ( -3.942 9.762 12.267) 16.165 8.363 ( -1.947 -8.428 2.904) 9.124 8.627 ( 0.612 5.077 0.865) 5.187 8.905 ( 1.256 -6.398 3.079) 7.211 9.799 ( 4.176 3.654 -3.520) 6.571 9.931 ( 5.368 -2.185 -3.779) 6.919 ======================= Grid point 123 (61/212) ======================= q-point: ( 0.46 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -2.514 -0.459 -3.297) 4.172 0.868 ( 0.485 -6.778 -3.884) 7.827 1.084 ( -1.286 3.036 0.910) 3.420 1.122 ( -1.582 0.147 0.962) 1.857 1.204 ( -0.404 -0.173 -1.663) 1.720 1.247 ( 0.317 -2.578 1.157) 2.844 1.490 ( 1.054 1.940 -0.260) 2.223 1.507 ( 1.239 2.838 1.342) 3.375 1.637 ( 1.647 1.620 -0.162) 2.316 1.717 ( -1.720 -0.218 1.254) 2.140 1.805 ( 0.374 1.604 -2.521) 3.011 1.880 ( -0.155 -3.217 -1.753) 3.667 2.070 ( 1.433 1.572 -0.185) 2.135 2.197 ( 1.969 -3.262 -1.076) 3.959 2.464 ( 0.512 4.871 -0.168) 4.900 2.728 ( 0.899 -5.204 -1.931) 5.623 3.234 ( 2.416 13.316 0.316) 13.537 3.779 ( -1.272 -11.719 -0.449) 11.796 5.510 ( 0.580 8.691 3.670) 9.452 6.001 ( 1.731 -12.730 0.491) 12.857 6.522 ( 1.040 4.264 -2.462) 5.032 6.636 ( 0.413 -1.182 -3.337) 3.564 7.088 ( -2.215 1.974 -7.250) 7.833 7.213 ( 1.279 -2.008 -5.252) 5.766 7.977 ( -2.546 8.052 13.736) 16.125 8.341 ( -2.183 -7.914 2.341) 8.537 8.650 ( 0.755 5.119 1.891) 5.509 8.927 ( -0.682 -6.474 1.845) 6.766 9.843 ( 2.672 3.964 -3.102) 5.699 9.988 ( 3.081 -2.452 -3.595) 5.332 ======================= Grid point 124 (62/212) ======================= q-point: (-0.46 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -0.580 1.664 -5.064) 5.362 0.854 ( 0.321 -5.759 -4.154) 7.108 1.058 ( -1.134 1.260 -0.465) 1.757 1.082 ( -3.033 -0.692 -0.847) 3.224 1.177 ( -1.181 0.504 -1.582) 2.037 1.251 ( -0.549 -1.944 0.526) 2.088 1.505 ( 0.399 2.726 0.425) 2.787 1.554 ( 2.451 2.388 2.572) 4.281 1.659 ( 1.173 -0.924 -1.493) 2.111 1.693 ( -1.724 0.358 2.091) 2.733 1.775 ( -1.923 0.192 -2.603) 3.242 1.831 ( -2.837 -4.544 -2.913) 6.097 2.107 ( 2.203 2.346 0.208) 3.225 2.225 ( 1.023 -2.959 -0.090) 3.132 2.495 ( 2.560 5.348 0.955) 6.006 2.767 ( 3.604 -5.084 -0.493) 6.251 3.273 ( 0.843 10.795 2.477) 11.108 3.701 ( -5.416 -9.019 -3.896) 11.218 5.557 ( 1.304 8.364 5.588) 10.143 6.019 ( -0.561 -11.757 1.295) 11.842 6.522 ( 0.759 2.590 -2.975) 4.017 6.586 ( -2.139 -0.924 -5.783) 6.235 7.014 ( -0.165 5.185 -7.812) 9.378 7.218 ( 2.422 -1.856 -4.980) 5.841 8.027 ( -1.894 4.952 13.994) 14.965 8.310 ( -2.224 -7.024 0.988) 7.433 8.678 ( 0.567 4.240 3.018) 5.235 8.902 ( -2.778 -5.365 0.945) 6.116 9.859 ( 0.889 3.707 -2.420) 4.516 9.999 ( 0.377 -2.429 -3.177) 4.017 ======================= Grid point 125 (63/212) ======================= q-point: (-0.38 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 0.787 4.087 -5.043) 6.539 0.814 ( -1.868 -2.862 -3.916) 5.198 0.994 ( -4.730 -0.734 -2.755) 5.523 1.049 ( 0.881 -1.209 -2.596) 2.996 1.139 ( -1.700 0.433 -1.741) 2.472 1.236 ( -1.323 -1.959 0.703) 2.466 1.503 ( -1.410 3.559 1.257) 4.029 1.616 ( 0.118 0.483 2.647) 2.694 1.663 ( 1.813 -3.991 -1.288) 4.569 1.675 ( -5.294 -1.047 -3.305) 6.328 1.695 ( 0.169 -1.107 1.455) 1.836 1.780 ( -1.006 -1.984 -1.695) 2.797 2.142 ( 1.127 1.662 0.098) 2.010 2.229 ( -0.588 -2.111 0.135) 2.195 2.572 ( 4.846 6.693 1.084) 8.334 2.826 ( 2.242 -2.229 -1.576) 3.532 3.303 ( -0.175 4.425 4.770) 6.508 3.535 ( -8.177 -4.894 -5.639) 11.073 5.627 ( 1.654 7.105 7.114) 10.189 5.991 ( -3.723 -8.453 2.107) 9.474 6.494 ( -1.951 -0.004 -6.009) 6.318 6.517 ( 0.288 -1.406 -5.371) 5.560 6.984 ( 2.031 8.009 -7.234) 10.982 7.233 ( 2.388 -1.066 -4.736) 5.410 8.076 ( -2.144 1.777 12.652) 12.955 8.271 ( -1.876 -6.157 -0.801) 6.486 8.713 ( 0.753 2.588 4.107) 4.913 8.838 ( -4.390 -3.059 0.670) 5.393 9.848 ( -0.648 2.848 -1.436) 3.255 9.964 ( -1.970 -2.102 -2.485) 3.805 ======================= Grid point 126 (64/212) ======================= q-point: (-0.31 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -0.333 4.871 -3.102) 5.785 0.742 ( -2.716 -0.425 -3.912) 4.781 0.875 ( -5.371 1.184 -3.859) 6.719 1.050 ( 1.327 -2.730 -4.651) 5.554 1.097 ( -1.568 0.340 -1.492) 2.191 1.214 ( -1.686 -3.690 1.413) 4.296 1.460 ( -3.637 0.971 -0.371) 3.782 1.546 ( -5.536 1.125 -1.352) 5.808 1.581 ( -2.669 -0.355 -0.904) 2.840 1.694 ( -0.658 0.123 2.964) 3.038 1.757 ( 5.111 -3.599 -0.188) 6.253 1.758 ( -0.607 -2.934 -0.835) 3.110 2.149 ( -0.328 0.694 -0.028) 0.768 2.207 ( -1.792 -1.128 0.251) 2.133 2.675 ( 4.807 6.183 -1.772) 8.030 2.802 ( -2.817 4.395 -2.414) 5.751 3.226 ( -9.343 0.352 -5.953) 11.085 3.456 ( 1.940 -5.456 6.871) 8.986 5.704 ( 1.197 4.863 7.943) 9.390 5.903 ( -7.078 -3.382 2.224) 8.154 6.420 ( -1.486 -0.923 -6.165) 6.408 6.487 ( 0.397 -3.910 -7.220) 8.220 6.991 ( 3.116 9.525 -6.404) 11.893 7.247 ( 2.063 -0.392 -3.535) 4.112 8.104 ( -2.757 -0.042 10.437) 10.795 8.234 ( -0.652 -5.743 -2.913) 6.472 8.749 ( -3.507 0.345 1.784) 3.950 8.764 ( -0.388 0.080 4.232) 4.251 9.818 ( -1.875 1.579 -0.424) 2.488 9.900 ( -3.199 -1.549 -1.522) 3.867 ======================= Grid point 127 (65/212) ======================= q-point: (-0.23 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -3.625 3.644 0.366) 5.153 0.678 ( -1.114 1.924 -3.984) 4.562 0.759 ( -3.924 6.118 -3.216) 7.948 1.016 ( -2.954 -1.428 -2.411) 4.072 1.066 ( 0.503 -0.324 -4.134) 4.177 1.202 ( -0.145 -6.911 1.503) 7.074 1.384 ( -2.797 0.275 -2.040) 3.473 1.437 ( -5.558 2.108 -1.175) 6.060 1.533 ( -2.449 2.904 0.911) 3.906 1.684 ( -2.160 2.835 2.055) 4.114 1.750 ( 0.186 -4.679 0.122) 4.685 1.852 ( 4.885 -4.528 0.355) 6.670 2.131 ( -1.361 0.145 -0.542) 1.472 2.168 ( -2.444 -0.229 0.357) 2.481 2.579 ( -10.002 7.590 -7.271) 14.509 2.800 ( 0.594 0.507 -4.008) 4.083 3.032 ( -4.121 8.710 -2.825) 10.041 3.582 ( 4.326 -11.401 9.301) 15.337 5.753 ( -5.829 1.636 3.196) 6.846 5.778 ( -2.690 1.401 6.155) 6.861 6.350 ( -2.209 -1.200 -6.134) 6.629 6.434 ( -0.764 -5.348 -8.433) 10.015 7.013 ( 3.407 9.795 -5.825) 11.894 7.270 ( 2.325 -0.752 -1.815) 3.044 8.105 ( -3.387 0.287 7.757) 8.469 8.222 ( 2.044 -5.712 -3.854) 7.188 8.669 ( -4.756 3.472 2.069) 6.241 8.814 ( 0.966 -2.322 4.936) 5.540 9.768 ( -3.325 0.714 -0.074) 3.402 9.837 ( -2.636 -1.397 -0.285) 2.997 ======================= Grid point 128 (66/212) ======================= q-point: (-0.15 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -3.599 5.301 2.317) 6.814 0.647 ( -0.823 1.490 -0.343) 1.736 0.706 ( -0.135 11.978 -0.764) 12.003 0.931 ( -3.754 2.093 -2.174) 4.816 1.060 ( 1.878 -1.180 -4.681) 5.180 1.225 ( 0.989 -8.625 1.843) 8.875 1.311 ( -4.837 2.796 -0.931) 5.664 1.349 ( -1.393 0.333 -2.531) 2.908 1.495 ( -2.611 5.032 1.925) 5.987 1.640 ( -3.444 4.760 1.128) 5.983 1.767 ( 0.748 -2.687 1.563) 3.197 1.945 ( 4.312 -4.090 1.199) 6.063 2.087 ( -2.452 0.892 -3.093) 4.047 2.124 ( -2.375 0.353 0.534) 2.460 2.325 ( -10.630 7.801 -4.601) 13.965 2.678 ( -5.859 -5.783 -8.564) 11.879 3.071 ( 4.630 13.153 2.467) 14.161 3.707 ( 2.615 -14.000 7.738) 16.209 5.608 ( -7.852 4.722 1.202) 9.241 5.816 ( -0.118 -2.733 6.130) 6.712 6.250 ( -3.836 -0.280 -7.097) 8.072 6.347 ( -3.112 -4.364 -6.955) 8.781 7.047 ( 3.918 8.651 -4.905) 10.688 7.312 ( 3.017 -2.377 -1.595) 4.159 8.084 ( -2.766 2.056 4.663) 5.798 8.261 ( 3.852 -5.439 -2.308) 7.053 8.604 ( -3.791 5.760 3.169) 7.589 8.855 ( 0.030 -4.390 4.265) 6.121 9.699 ( -3.626 1.188 -0.182) 3.820 9.794 ( -2.160 -2.301 0.142) 3.159 ======================= Grid point 129 (67/212) ======================= q-point: (-0.08 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -0.777 7.233 4.242) 8.421 0.644 ( -0.304 0.578 3.034) 3.104 0.733 ( 1.364 13.049 2.519) 13.360 0.865 ( -0.419 5.171 -4.773) 7.049 1.078 ( 2.394 -0.916 -2.843) 3.829 1.214 ( -3.320 0.459 0.979) 3.491 1.264 ( 0.648 -5.088 0.282) 5.137 1.322 ( -0.126 -0.446 -2.303) 2.349 1.473 ( -0.786 7.402 3.172) 8.092 1.575 ( -4.186 7.286 1.685) 8.570 1.773 ( -1.449 3.477 -0.319) 3.780 2.006 ( -1.178 3.548 -3.666) 5.236 2.017 ( 1.434 -2.947 0.739) 3.360 2.091 ( -1.413 0.494 0.842) 1.718 2.186 ( -3.160 -0.125 1.193) 3.380 2.551 ( -1.467 -7.870 -5.283) 9.592 3.164 ( 2.904 11.716 2.144) 12.259 3.764 ( -1.019 -14.226 4.414) 14.930 5.495 ( -4.625 6.413 1.189) 7.996 5.842 ( -0.796 -8.345 2.692) 8.805 6.138 ( -2.071 3.298 -5.802) 6.988 6.250 ( -2.774 -1.605 -3.631) 4.843 7.099 ( 4.247 6.071 -3.089) 8.027 7.347 ( 2.038 -3.887 -3.984) 5.927 8.065 ( -1.965 4.315 3.376) 5.820 8.325 ( 3.784 -5.961 -1.136) 7.152 8.573 ( -2.030 6.697 4.790) 8.480 8.867 ( -1.298 -5.387 3.185) 6.391 9.638 ( -2.437 1.979 -0.692) 3.215 9.748 ( -2.613 -2.543 -0.727) 3.718 ======================= Grid point 130 (68/212) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.255 -3.744 5.292) 6.488 0.624 ( 0.255 3.744 5.292) 6.488 0.944 ( 0.943 -4.266 -1.741) 4.702 0.944 ( 0.943 4.266 -1.741) 4.702 1.103 ( 1.517 -4.148 1.063) 4.543 1.103 ( 1.517 4.148 1.063) 4.543 1.266 ( 0.275 -2.945 -2.038) 3.592 1.266 ( 0.275 2.945 -2.038) 3.592 1.600 ( -0.377 -3.263 1.122) 3.471 1.600 ( -0.377 3.263 1.122) 3.471 1.871 ( -2.332 -8.276 -2.970) 9.097 1.871 ( -2.332 8.276 -2.970) 9.097 2.070 ( -0.464 -1.184 0.981) 1.606 2.070 ( -0.464 1.184 0.981) 1.606 2.352 ( 6.249 -12.155 2.176) 13.840 2.352 ( 6.249 12.155 2.176) 13.840 3.441 ( -3.147 -12.935 2.096) 13.477 3.441 ( -3.147 12.935 2.096) 13.477 5.615 ( -1.414 -8.327 0.151) 8.448 5.615 ( -1.414 8.327 0.151) 8.448 6.198 ( 2.611 -1.612 -2.049) 3.690 6.198 ( 2.611 1.612 -2.049) 3.690 7.248 ( 1.427 -4.397 -2.813) 5.411 7.248 ( 1.427 4.397 -2.813) 5.411 8.207 ( 0.917 -8.062 -0.075) 8.114 8.207 ( 0.917 8.062 -0.075) 8.114 8.723 ( -2.077 -6.299 4.842) 8.212 8.723 ( -2.077 6.299 4.842) 8.212 9.653 ( -0.831 -2.280 -2.180) 3.262 9.653 ( -0.831 2.280 -2.180) 3.262 ======================= Grid point 132 (69/212) ======================= q-point: ( 0.08 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 0.835 -2.907 6.175) 6.876 0.672 ( 0.835 2.907 6.175) 6.876 0.960 ( 1.450 -7.666 0.356) 7.810 0.960 ( 1.450 7.666 0.356) 7.810 1.148 ( 2.397 -4.204 1.498) 5.066 1.148 ( 2.397 4.204 1.498) 5.066 1.272 ( 1.735 -3.335 -2.277) 4.395 1.272 ( 1.735 3.335 -2.277) 4.395 1.601 ( -0.029 -5.659 0.633) 5.694 1.601 ( -0.029 5.659 0.633) 5.694 1.802 ( -2.496 -8.790 -2.536) 9.483 1.802 ( -2.496 8.790 -2.536) 9.483 2.072 ( 0.308 -0.552 0.355) 0.725 2.072 ( 0.308 0.552 0.355) 0.725 2.545 ( 10.628 -11.263 3.545) 15.886 2.545 ( 10.628 11.263 3.545) 15.886 3.366 ( -5.419 -10.240 1.038) 11.632 3.366 ( -5.419 10.240 1.038) 11.632 5.604 ( 0.262 -4.781 -0.548) 4.820 5.604 ( 0.262 4.781 -0.548) 4.820 6.265 ( 5.479 -0.932 -2.524) 6.104 6.265 ( 5.479 0.932 -2.524) 6.104 7.259 ( 1.225 -1.534 -1.242) 2.323 7.259 ( 1.225 1.534 -1.242) 2.323 8.217 ( -0.098 -8.766 0.764) 8.800 8.217 ( -0.098 8.766 0.764) 8.800 8.711 ( -2.172 -3.742 4.197) 6.028 8.711 ( -2.172 3.742 4.197) 6.028 9.638 ( 1.091 -1.551 -3.092) 3.627 9.638 ( 1.091 1.551 -3.092) 3.627 ======================= Grid point 134 (70/212) ======================= q-point: ( 0.15 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 1.360 -2.834 6.076) 6.841 0.732 ( 1.360 2.834 6.076) 6.841 1.003 ( 2.233 -7.271 1.665) 7.787 1.003 ( 2.233 7.271 1.665) 7.787 1.202 ( 1.108 -3.694 3.072) 4.931 1.202 ( 1.108 3.694 3.072) 4.931 1.307 ( 4.171 -2.691 -3.055) 5.829 1.307 ( 4.171 2.691 -3.055) 5.829 1.611 ( 0.876 -6.763 0.223) 6.823 1.611 ( 0.876 6.763 0.223) 6.823 1.749 ( -1.826 -6.998 -1.480) 7.383 1.749 ( -1.826 6.998 -1.480) 7.383 2.086 ( 1.111 -0.636 -0.461) 1.361 2.086 ( 1.111 0.636 -0.461) 1.361 2.747 ( 8.110 -7.870 0.190) 11.302 2.747 ( 8.110 7.870 0.190) 11.302 3.277 ( -4.074 -4.955 2.413) 6.853 3.277 ( -4.074 4.955 2.413) 6.853 5.616 ( 1.455 -0.487 -1.039) 1.853 5.616 ( 1.455 0.487 -1.039) 1.853 6.354 ( 5.676 -2.286 -3.293) 6.948 6.354 ( 5.676 2.286 -3.293) 6.948 7.278 ( 1.129 -0.797 -0.299) 1.414 7.278 ( 1.129 0.797 -0.299) 1.414 8.213 ( -1.371 -9.127 2.459) 9.551 8.213 ( -1.371 9.127 2.459) 9.551 8.699 ( -1.523 -0.480 3.270) 3.639 8.699 ( -1.523 0.480 3.270) 3.639 9.658 ( 3.395 -1.378 -3.662) 5.180 9.658 ( 3.395 1.378 -3.662) 5.180 ======================= Grid point 136 (71/212) ======================= q-point: ( 0.23 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 1.296 -2.881 4.481) 5.483 0.794 ( 1.296 2.881 4.481) 5.483 1.056 ( 2.044 -5.219 1.506) 5.804 1.056 ( 2.044 5.219 1.506) 5.804 1.219 ( -1.174 -1.828 3.373) 4.012 1.219 ( -1.174 1.828 3.373) 4.012 1.388 ( 5.716 -1.350 -2.648) 6.443 1.388 ( 5.716 1.350 -2.648) 6.443 1.639 ( 1.745 -5.465 0.336) 5.747 1.639 ( 1.745 5.465 0.336) 5.747 1.716 ( -0.768 -3.612 -0.482) 3.724 1.716 ( -0.768 3.612 -0.482) 3.724 2.104 ( 1.324 -1.164 -1.313) 2.198 2.104 ( 1.324 1.164 -1.313) 2.198 2.806 ( -0.383 -3.575 -4.662) 5.887 2.806 ( -0.383 3.575 -4.662) 5.887 3.284 ( 2.460 -6.211 4.712) 8.175 3.284 ( 2.460 6.211 4.712) 8.175 5.641 ( 1.876 -5.409 -1.175) 5.845 5.641 ( 1.876 5.409 -1.175) 5.845 6.436 ( 5.175 -2.053 -2.752) 6.210 6.436 ( 5.175 2.053 -2.752) 6.210 7.286 ( -0.024 -2.155 -1.233) 2.483 7.286 ( -0.024 2.155 -1.233) 2.483 8.198 ( -2.550 -9.557 4.531) 10.880 8.198 ( -2.550 9.557 4.531) 10.880 8.702 ( -0.079 -2.931 2.504) 3.855 8.702 ( -0.079 2.931 2.504) 3.855 9.716 ( 5.192 -1.842 -3.894) 6.746 9.716 ( 5.192 1.842 -3.894) 6.746 ======================= Grid point 138 (72/212) ======================= q-point: ( 0.31 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -0.404 -2.496 1.288) 2.838 0.824 ( -0.404 2.496 1.288) 2.838 1.098 ( 1.526 -3.826 1.558) 4.404 1.098 ( 1.526 3.826 1.558) 4.404 1.213 ( -1.336 -1.176 2.480) 3.053 1.213 ( -1.336 1.176 2.480) 3.053 1.463 ( 3.656 -0.483 -2.320) 4.357 1.463 ( 3.656 0.483 -2.320) 4.357 1.666 ( 0.466 -4.947 0.987) 5.066 1.666 ( 0.466 4.947 0.987) 5.066 1.735 ( 2.881 -2.646 0.715) 3.977 1.735 ( 2.881 2.646 0.715) 3.977 2.115 ( 1.030 -1.793 -2.129) 2.968 2.115 ( 1.030 1.793 -2.129) 2.968 2.721 ( -3.925 -6.763 -4.901) 9.229 2.721 ( -3.925 6.763 -4.901) 9.229 3.386 ( 4.572 -12.277 3.035) 13.448 3.386 ( 4.572 12.277 3.035) 13.448 5.669 ( 1.767 -9.154 -0.707) 9.350 5.669 ( 1.767 9.154 -0.707) 9.350 6.514 ( 4.514 -1.203 -1.742) 4.986 6.514 ( 4.514 1.203 -1.742) 4.986 7.257 ( -1.474 -2.573 -3.094) 4.286 7.257 ( -1.474 2.573 -3.094) 4.286 8.179 ( -3.056 -10.022 6.216) 12.183 8.179 ( -3.056 10.022 6.216) 12.183 8.726 ( 1.003 -5.631 2.064) 6.080 8.726 ( 1.003 5.631 2.064) 6.080 9.796 ( 5.740 -2.580 -3.901) 7.404 9.796 ( 5.740 2.580 -3.901) 7.404 ======================= Grid point 140 (73/212) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -1.941 -2.851 -1.767) 3.875 0.796 ( -1.941 2.851 -1.767) 3.875 1.133 ( 0.507 -2.758 2.386) 3.682 1.133 ( 0.507 2.758 2.386) 3.682 1.201 ( -0.584 -1.203 0.114) 1.342 1.201 ( -0.584 1.203 0.114) 1.342 1.500 ( 1.855 -0.333 -1.260) 2.267 1.500 ( 1.855 0.333 -1.260) 2.267 1.679 ( 0.065 -3.988 1.694) 4.333 1.679 ( 0.065 3.988 1.694) 4.333 1.803 ( 3.012 -1.910 0.466) 3.597 1.803 ( 3.012 1.910 0.466) 3.597 2.117 ( 0.876 -2.645 -2.496) 3.741 2.117 ( 0.876 2.645 -2.496) 3.741 2.629 ( -2.607 -7.205 -3.192) 8.301 2.629 ( -2.607 7.205 -3.192) 8.301 3.474 ( 3.169 -13.851 0.969) 14.242 3.474 ( 3.169 13.851 0.969) 14.242 5.699 ( 1.538 -11.350 0.357) 11.459 5.699 ( 1.538 11.350 0.357) 11.459 6.576 ( 3.030 -2.122 -1.742) 4.089 6.576 ( 3.030 2.122 -1.742) 4.089 7.200 ( -1.721 -2.272 -4.394) 5.238 7.200 ( -1.721 2.272 -4.394) 5.238 8.165 ( -2.902 -9.923 7.135) 12.562 8.165 ( -2.902 9.923 7.135) 12.562 8.759 ( 0.961 -6.982 1.820) 7.279 8.759 ( 0.961 6.982 1.820) 7.279 9.873 ( 4.853 -3.215 -3.772) 6.937 9.873 ( 4.853 3.215 -3.772) 6.937 ======================= Grid point 142 (74/212) ======================= q-point: ( 0.46 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -0.875 -3.985 -3.300) 5.247 0.749 ( -0.875 3.985 -3.300) 5.247 1.126 ( -2.322 -0.530 0.860) 2.532 1.126 ( -2.322 0.530 0.860) 2.532 1.205 ( 0.869 -1.102 -0.396) 1.458 1.205 ( 0.869 1.102 -0.396) 1.458 1.528 ( 1.553 -0.976 0.206) 1.845 1.528 ( 1.553 0.976 0.206) 1.845 1.685 ( -0.754 -2.633 1.629) 3.187 1.685 ( -0.754 2.633 1.629) 3.187 1.826 ( -0.439 -1.041 -1.760) 2.092 1.826 ( -0.439 1.041 -1.760) 2.092 2.129 ( 1.958 -3.120 -1.360) 3.927 2.129 ( 1.958 3.120 -1.360) 3.927 2.594 ( 0.507 -6.920 -1.093) 7.024 2.594 ( 0.507 6.920 -1.093) 7.024 3.514 ( 0.755 -13.013 -0.220) 13.037 3.514 ( 0.755 13.013 -0.220) 13.037 5.732 ( 1.278 -12.067 1.764) 12.263 5.732 ( 1.278 12.067 1.764) 12.263 6.597 ( 0.674 -2.647 -3.157) 4.174 6.597 ( 0.674 2.647 -3.157) 4.174 7.149 ( -0.250 -3.468 -4.642) 5.800 7.149 ( -0.250 3.468 -4.642) 5.800 8.160 ( -2.589 -8.881 7.263) 11.761 8.160 ( -2.589 8.881 7.263) 11.761 8.781 ( 0.051 -6.920 1.783) 7.146 8.781 ( 0.051 6.920 1.783) 7.146 9.924 ( 2.908 -3.532 -3.505) 5.763 9.924 ( 2.908 3.532 -3.505) 5.763 ======================= Grid point 144 (75/212) ======================= q-point: (-0.46 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 1.068 -5.251 -3.805) 6.572 0.729 ( 1.068 5.251 -3.805) 6.572 1.072 ( -3.097 -0.472 -1.164) 3.342 1.072 ( -3.097 0.472 -1.164) 3.342 1.210 ( -0.360 -2.086 -0.160) 2.123 1.210 ( -0.360 2.086 -0.160) 2.123 1.562 ( 1.563 -2.251 0.660) 2.819 1.562 ( 1.563 2.251 0.660) 2.819 1.665 ( -2.190 -2.271 0.640) 3.219 1.665 ( -2.190 2.271 0.640) 3.219 1.782 ( -2.056 -1.470 -2.368) 3.463 1.782 ( -2.056 1.470 -2.368) 3.463 2.163 ( 1.789 -2.770 -0.322) 3.313 2.163 ( 1.789 2.770 -0.322) 3.313 2.632 ( 3.597 -7.098 0.293) 7.963 2.632 ( 3.597 7.098 0.293) 7.963 3.497 ( -2.293 -10.187 -0.780) 10.471 3.497 ( -2.293 10.187 -0.780) 10.471 5.769 ( 0.803 -11.325 3.288) 11.820 5.769 ( 0.803 11.325 3.288) 11.820 6.563 ( -1.226 -1.399 -4.952) 5.290 6.563 ( -1.226 1.399 -4.952) 5.290 7.134 ( 1.683 -5.523 -4.550) 7.352 7.134 ( 1.683 5.523 -4.550) 7.352 8.158 ( -2.431 -7.058 6.540) 9.924 8.158 ( -2.431 7.058 6.540) 9.924 8.783 ( -1.058 -5.568 2.125) 6.052 8.783 ( -1.058 5.568 2.125) 6.052 9.936 ( 0.593 -3.430 -3.014) 4.604 9.936 ( 0.593 3.430 -3.014) 4.604 ======================= Grid point 146 (76/212) ======================= q-point: (-0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 0.690 -4.989 -3.662) 6.228 0.726 ( 0.690 4.989 -3.662) 6.228 1.004 ( -2.517 -1.734 -2.847) 4.177 1.004 ( -2.517 1.734 -2.847) 4.177 1.188 ( -1.804 -2.810 -0.200) 3.345 1.188 ( -1.804 2.810 -0.200) 3.345 1.566 ( -1.745 -2.947 -1.748) 3.845 1.566 ( -1.745 2.947 -1.748) 3.845 1.638 ( 0.010 -0.341 0.581) 0.674 1.638 ( 0.010 0.341 0.581) 0.674 1.737 ( -1.721 -2.548 0.010) 3.075 1.737 ( -1.721 2.548 0.010) 3.075 2.183 ( 0.366 -2.142 -0.030) 2.173 2.183 ( 0.366 2.142 -0.030) 2.173 2.720 ( 5.152 -6.796 -0.090) 8.528 2.720 ( 5.152 6.796 -0.090) 8.528 3.419 ( -5.235 -5.856 -0.564) 7.875 3.419 ( -5.235 5.856 -0.564) 7.875 5.801 ( -0.276 -9.007 4.731) 10.178 5.801 ( -0.276 9.007 4.731) 10.178 6.498 ( -1.652 -0.515 -6.318) 6.551 6.498 ( -1.652 0.515 -6.318) 6.551 7.148 ( 2.684 -6.620 -4.538) 8.463 7.148 ( 2.684 6.620 -4.538) 8.463 8.150 ( -2.310 -4.986 4.910) 7.369 8.150 ( -2.310 4.986 4.910) 7.369 8.772 ( -1.768 -3.053 2.926) 4.583 8.772 ( -1.768 3.053 2.926) 4.583 9.910 ( -1.399 -2.894 -2.258) 3.928 9.910 ( -1.399 2.894 -2.258) 3.928 ======================= Grid point 148 (77/212) ======================= q-point: (-0.31 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -1.678 -3.555 -2.521) 4.670 0.697 ( -1.678 3.555 -2.521) 4.670 0.951 ( -0.493 -5.300 -4.253) 6.814 0.951 ( -0.493 5.300 -4.253) 6.814 1.143 ( -2.697 -3.000 -0.509) 4.066 1.143 ( -2.697 3.000 -0.509) 4.066 1.501 ( -3.159 -3.557 -2.181) 5.233 1.501 ( -3.159 3.557 -2.181) 5.233 1.646 ( -0.055 -4.300 -0.176) 4.304 1.646 ( -0.055 4.300 -0.176) 4.304 1.724 ( -0.108 -0.100 1.710) 1.716 1.724 ( -0.108 0.100 1.710) 1.716 2.178 ( -0.912 -1.604 0.161) 1.852 2.178 ( -0.912 1.604 0.161) 1.852 2.792 ( 2.452 -4.288 -3.716) 6.181 2.792 ( 2.452 4.288 -3.716) 6.181 3.317 ( -4.942 -6.884 2.177) 8.750 3.317 ( -4.942 6.884 2.177) 8.750 5.812 ( -2.241 -4.985 5.539) 7.781 5.812 ( -2.241 4.985 5.539) 7.781 6.426 ( -1.288 -1.589 -7.232) 7.516 6.426 ( -1.288 1.589 -7.232) 7.516 7.171 ( 2.713 -6.700 -4.263) 8.392 7.171 ( 2.713 6.700 -4.263) 8.392 8.136 ( -1.641 -3.202 2.832) 4.579 8.136 ( -1.641 3.202 2.832) 4.579 8.758 ( -1.973 -0.481 3.884) 4.382 8.758 ( -1.973 0.481 3.884) 4.382 9.860 ( -2.616 -2.137 -1.371) 3.645 9.860 ( -2.616 2.137 -1.371) 3.645 ======================= Grid point 150 (78/212) ======================= q-point: (-0.23 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -2.515 -3.797 -0.374) 4.570 0.644 ( -2.515 3.797 -0.374) 4.570 0.930 ( 1.176 -7.699 -4.462) 8.976 0.930 ( 1.176 7.699 -4.462) 8.976 1.087 ( -2.439 -2.987 -0.674) 3.915 1.087 ( -2.439 2.987 -0.674) 3.915 1.425 ( -3.470 -2.474 -1.875) 4.656 1.425 ( -3.470 2.474 -1.875) 4.656 1.635 ( -1.037 -5.787 0.724) 5.924 1.635 ( -1.037 5.787 0.724) 5.924 1.751 ( 1.897 -4.002 1.149) 4.575 1.751 ( 1.897 4.002 1.149) 4.575 2.153 ( -1.788 -1.200 0.254) 2.168 2.153 ( -1.788 1.200 0.254) 2.168 2.723 ( -5.616 -5.856 -8.294) 11.602 2.723 ( -5.616 5.856 -8.294) 11.602 3.304 ( 0.720 -14.253 6.013) 15.486 3.304 ( 0.720 14.253 6.013) 15.486 5.784 ( -4.278 -0.879 4.905) 6.568 5.784 ( -4.278 0.879 4.905) 6.568 6.355 ( -1.493 -1.914 -7.187) 7.586 6.355 ( -1.493 1.914 -7.187) 7.586 7.194 ( 2.387 -6.539 -3.797) 7.929 7.194 ( 2.387 6.539 -3.797) 7.929 8.132 ( -0.049 -2.606 1.204) 2.871 8.132 ( -0.049 2.606 1.204) 2.871 8.747 ( -2.050 -3.733 4.512) 6.204 8.747 ( -2.050 3.733 4.512) 6.204 9.799 ( -2.966 -1.916 -0.688) 3.598 9.799 ( -2.966 1.916 -0.688) 3.598 ======================= Grid point 152 (79/212) ======================= q-point: (-0.15 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -1.992 -4.436 2.111) 5.301 0.606 ( -1.992 4.436 2.111) 5.301 0.933 ( 1.849 -6.815 -4.166) 8.199 0.933 ( 1.849 6.815 -4.166) 8.199 1.057 ( -0.430 -4.443 0.395) 4.481 1.057 ( -0.430 4.443 0.395) 4.481 1.349 ( -3.155 -0.850 -1.869) 3.764 1.349 ( -3.155 0.850 -1.869) 3.764 1.618 ( -1.314 -5.729 1.062) 5.973 1.618 ( -1.314 5.729 1.062) 5.973 1.810 ( 3.482 -6.440 1.314) 7.439 1.810 ( 3.482 6.440 1.314) 7.439 2.116 ( -2.143 -1.130 0.129) 2.426 2.116 ( -2.143 1.130 0.129) 2.426 2.521 ( -8.802 -8.964 -8.033) 14.911 2.521 ( -8.802 8.964 -8.033) 14.911 3.383 ( 2.540 -15.805 5.924) 17.068 3.383 ( 2.540 15.805 5.924) 17.068 5.721 ( -4.763 -5.552 3.083) 7.938 5.721 ( -4.763 5.552 3.083) 7.938 6.275 ( -2.393 -2.446 -5.792) 6.727 6.275 ( -2.393 2.446 -5.792) 6.727 7.215 ( 2.365 -6.650 -3.536) 7.894 7.215 ( 2.365 6.650 -3.536) 7.894 8.151 ( 1.447 -4.346 0.326) 4.592 8.151 ( 1.447 4.346 0.326) 4.592 8.738 ( -2.135 -6.346 4.793) 8.235 8.738 ( -2.135 6.346 4.793) 8.235 9.742 ( -2.678 -2.504 -0.583) 3.712 9.742 ( -2.678 2.504 -0.583) 3.712 ======================= Grid point 154 (80/212) ======================= q-point: (-0.08 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -0.856 -4.394 3.970) 5.983 0.599 ( -0.856 4.394 3.970) 5.983 0.940 ( 1.385 -2.476 -3.374) 4.409 0.940 ( 1.385 2.476 -3.374) 4.409 1.072 ( 1.102 -4.614 1.132) 4.877 1.072 ( 1.102 4.614 1.132) 4.877 1.291 ( -1.608 -2.183 -1.861) 3.288 1.291 ( -1.608 2.183 -1.861) 3.288 1.604 ( -0.863 -4.116 1.116) 4.351 1.604 ( -0.863 4.116 1.116) 4.351 1.883 ( 2.549 -7.132 0.427) 7.585 1.883 ( 2.549 7.132 0.427) 7.585 2.080 ( -1.473 -1.724 0.242) 2.280 2.080 ( -1.473 1.724 0.242) 2.280 2.341 ( -4.531 -11.280 -3.998) 12.797 2.341 ( -4.531 11.280 -3.998) 12.797 3.447 ( 0.344 -14.822 4.162) 15.399 3.447 ( 0.344 14.822 4.162) 15.399 5.656 ( -3.378 -8.579 1.288) 9.309 5.656 ( -3.378 8.579 1.288) 9.309 6.205 ( -1.304 -2.700 -3.523) 4.626 6.205 ( -1.304 2.700 -3.523) 4.626 7.235 ( 2.125 -6.280 -3.477) 7.486 7.235 ( 2.125 6.280 -3.477) 7.486 8.183 ( 1.647 -6.582 -0.111) 6.786 8.183 ( 1.647 6.582 -0.111) 6.786 8.729 ( -2.062 -7.356 4.964) 9.111 8.729 ( -2.062 7.356 4.964) 9.111 9.692 ( -2.005 -2.792 -1.183) 3.635 9.692 ( -2.005 2.792 -1.183) 3.635 ======================= Grid point 182 (81/212) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 6.122 0.000 5.061) 7.944 0.503 ( -0.476 0.000 7.611) 7.625 0.686 ( 6.150 0.000 4.670) 7.722 1.042 ( 6.159 0.000 0.906) 6.226 1.070 ( -1.481 0.000 8.415) 8.544 1.079 ( -2.903 0.000 2.931) 4.126 1.195 ( -5.292 0.000 10.891) 12.109 1.328 ( 5.514 0.000 5.732) 7.953 1.416 ( -2.123 0.000 0.632) 2.215 1.521 ( -0.663 0.000 1.708) 1.832 1.740 ( 5.867 0.000 2.746) 6.478 2.004 ( -0.966 0.000 1.206) 1.546 2.004 ( -0.318 0.000 0.998) 1.048 2.063 ( 0.316 0.000 0.685) 0.754 2.298 ( -1.655 0.000 -1.146) 2.013 2.717 ( 1.562 0.000 -7.971) 8.122 3.037 ( 13.893 0.000 6.184) 15.207 3.902 ( -11.536 0.000 -7.926) 13.997 5.402 ( 1.215 0.000 4.832) 4.982 5.754 ( -8.262 0.000 -4.739) 9.525 6.125 ( 3.087 0.000 -2.481) 3.960 6.188 ( 3.553 0.000 0.966) 3.682 7.161 ( 9.335 0.000 -5.851) 11.017 7.186 ( -1.868 0.000 -5.212) 5.537 8.180 ( -4.836 0.000 8.334) 9.635 8.399 ( 7.023 0.000 -1.629) 7.209 8.618 ( 2.749 0.000 5.536) 6.181 8.902 ( -5.011 0.000 -2.326) 5.524 9.608 ( -1.559 0.000 0.083) 1.562 9.641 ( -4.980 0.000 -1.413) 5.176 ======================= Grid point 183 (82/212) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 6.295 0.000 5.196) 8.162 0.641 ( 8.359 0.000 2.336) 8.679 0.830 ( 5.408 0.000 4.570) 7.081 1.062 ( -1.446 0.000 4.914) 5.122 1.108 ( 0.630 0.000 -0.880) 1.083 1.143 ( 3.919 0.000 6.656) 7.724 1.160 ( 0.801 0.000 -1.155) 1.405 1.368 ( -2.594 0.000 -0.124) 2.597 1.491 ( 4.067 0.000 7.195) 8.265 1.524 ( -0.256 0.000 1.705) 1.724 1.888 ( 2.953 0.000 3.472) 4.558 1.971 ( 1.442 0.000 2.624) 2.994 2.011 ( -0.181 0.000 0.191) 0.263 2.093 ( 1.602 0.000 0.882) 1.829 2.293 ( 1.456 0.000 0.965) 1.747 2.646 ( -3.474 0.000 -8.855) 9.512 3.347 ( 13.141 0.000 10.978) 17.123 3.600 ( -12.790 0.000 -12.465) 17.859 5.511 ( 6.396 0.000 5.902) 8.703 5.583 ( -6.690 0.000 -3.513) 7.556 6.220 ( 8.381 0.000 -3.822) 9.211 6.260 ( 4.001 0.000 -2.108) 4.522 7.123 ( -1.214 0.000 -4.652) 4.807 7.253 ( 4.917 0.000 -6.372) 8.048 8.155 ( -3.731 0.000 9.036) 9.776 8.509 ( 5.981 0.000 -3.005) 6.694 8.727 ( 3.940 0.000 8.477) 9.348 8.762 ( -7.371 0.000 -4.288) 8.528 9.567 ( -2.445 0.000 0.538) 2.504 9.597 ( 0.453 0.000 -0.134) 0.472 ======================= Grid point 184 (83/212) ======================= q-point: ( 0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 7.473 0.000 3.123) 8.099 0.808 ( 7.898 0.000 0.875) 7.947 0.933 ( 2.793 0.000 4.041) 4.912 1.077 ( -1.384 0.000 -2.499) 2.856 1.090 ( 0.690 0.000 5.662) 5.704 1.209 ( 4.669 0.000 -3.874) 6.067 1.284 ( 6.602 0.000 3.865) 7.650 1.322 ( -2.257 0.000 0.797) 2.394 1.534 ( 0.322 0.000 1.683) 1.714 1.566 ( 1.198 0.000 2.292) 2.586 1.840 ( -4.430 0.000 -0.075) 4.430 2.009 ( 0.236 0.000 -0.495) 0.548 2.103 ( 5.961 0.000 1.590) 6.169 2.113 ( -0.348 0.000 -0.526) 0.631 2.370 ( 5.225 0.000 2.550) 5.814 2.480 ( -7.135 0.000 -8.977) 11.467 3.285 ( -11.030 0.000 -14.094) 17.897 3.665 ( 11.650 0.000 13.884) 18.124 5.467 ( -4.052 0.000 -0.976) 4.167 5.704 ( 9.671 0.000 5.828) 11.291 6.301 ( 2.568 0.000 -4.421) 5.113 6.364 ( 9.206 0.000 -4.678) 10.327 7.083 ( 0.011 0.000 -4.551) 4.551 7.278 ( 2.084 0.000 -5.794) 6.158 8.153 ( -3.885 0.000 12.020) 12.632 8.583 ( -7.338 0.000 -6.718) 9.949 8.585 ( 3.943 0.000 -2.187) 4.509 8.864 ( 4.429 0.000 8.732) 9.791 9.550 ( 0.150 0.000 0.022) 0.151 9.626 ( 3.134 0.000 -1.130) 3.332 ======================= Grid point 185 (84/212) ======================= q-point: ( 0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 5.599 0.000 1.058) 5.698 0.918 ( 2.285 0.000 1.794) 2.905 1.029 ( 6.156 0.000 2.166) 6.526 1.036 ( -0.376 0.000 -4.844) 4.858 1.145 ( 1.096 0.000 4.679) 4.806 1.250 ( 0.452 0.000 -1.687) 1.746 1.312 ( 1.584 0.000 0.198) 1.596 1.404 ( 3.893 0.000 0.542) 3.931 1.560 ( 1.223 0.000 1.163) 1.688 1.584 ( 0.209 0.000 0.302) 0.367 1.764 ( -3.075 0.000 -0.780) 3.173 1.997 ( -3.870 0.000 -5.309) 6.570 2.052 ( -0.718 0.000 -2.935) 3.021 2.194 ( 3.917 0.000 -0.694) 3.978 2.333 ( -2.867 0.000 -2.612) 3.878 2.498 ( 6.712 0.000 0.609) 6.740 3.018 ( -8.039 0.000 -12.580) 14.929 3.943 ( 8.298 0.000 12.680) 15.154 5.416 ( -1.991 0.000 2.465) 3.169 5.930 ( 10.273 0.000 4.516) 11.222 6.303 ( 1.162 0.000 -5.109) 5.240 6.493 ( 7.456 0.000 -4.549) 8.734 7.061 ( 1.057 0.000 -5.657) 5.755 7.261 ( 0.011 0.000 -5.799) 5.799 8.146 ( -7.132 0.000 16.442) 17.922 8.432 ( -2.267 0.000 -8.672) 8.963 8.631 ( 1.778 0.000 -0.326) 1.808 8.995 ( 3.788 0.000 7.226) 8.159 9.566 ( 1.761 0.000 -1.061) 2.056 9.698 ( 5.541 0.000 -2.566) 6.107 ======================= Grid point 186 (85/212) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -1.540 0.000 0.771) 1.723 0.985 ( 2.817 0.000 -3.424) 4.434 1.002 ( -0.412 0.000 -2.643) 2.675 1.162 ( 5.275 0.000 -0.405) 5.291 1.191 ( 2.081 0.000 5.069) 5.480 1.227 ( -1.495 0.000 -0.108) 1.499 1.352 ( 1.734 0.000 -0.073) 1.735 1.432 ( 0.142 0.000 -3.180) 3.183 1.582 ( 1.145 0.000 -0.394) 1.211 1.596 ( 1.327 0.000 0.129) 1.334 1.719 ( -0.649 0.000 -2.075) 2.174 1.810 ( -6.755 0.000 -8.648) 10.974 2.114 ( 5.612 0.000 0.577) 5.642 2.255 ( 3.282 0.000 -1.241) 3.509 2.314 ( -0.202 0.000 2.050) 2.059 2.618 ( 6.331 0.000 -1.694) 6.554 2.828 ( -4.405 0.000 -9.159) 10.163 4.121 ( 3.094 0.000 8.150) 8.718 5.417 ( -1.027 0.000 6.122) 6.208 6.132 ( 8.566 0.000 2.270) 8.861 6.290 ( 1.004 0.000 -4.399) 4.512 6.578 ( 4.424 0.000 -4.557) 6.351 7.047 ( 1.844 0.000 -7.331) 7.560 7.193 ( -3.242 0.000 -6.939) 7.659 8.098 ( -7.774 0.000 16.220) 17.987 8.406 ( 3.098 0.000 -3.835) 4.930 8.645 ( -0.505 0.000 0.888) 1.022 9.094 ( 2.320 0.000 5.207) 5.700 9.599 ( 2.679 0.000 -1.946) 3.311 9.793 ( 6.539 0.000 -4.012) 7.672 ======================= Grid point 187 (86/212) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -5.376 0.000 -3.073) 6.193 0.965 ( 0.125 0.000 -6.301) 6.302 0.992 ( -1.213 0.000 -0.782) 1.444 1.194 ( -0.335 0.000 1.899) 1.928 1.204 ( -0.726 0.000 0.026) 0.726 1.310 ( 5.573 0.000 2.392) 6.065 1.373 ( 0.530 0.000 0.896) 1.041 1.405 ( 1.170 0.000 -5.321) 5.448 1.609 ( 0.553 0.000 0.152) 0.574 1.635 ( 1.806 0.000 1.801) 2.550 1.678 ( -1.299 0.000 -5.427) 5.580 1.711 ( 2.056 0.000 -4.627) 5.063 2.230 ( 5.095 0.000 1.100) 5.212 2.304 ( 2.732 0.000 -1.224) 2.994 2.326 ( -1.051 0.000 3.875) 4.015 2.712 ( 5.050 0.000 -2.924) 5.835 2.755 ( 1.926 0.000 -3.845) 4.300 4.155 ( -3.036 0.000 1.911) 3.587 5.450 ( -0.707 0.000 9.222) 9.249 6.274 ( 5.674 0.000 -0.166) 5.677 6.296 ( 2.196 0.000 -2.785) 3.547 6.596 ( 0.835 0.000 -5.353) 5.418 7.037 ( 2.511 0.000 -8.649) 9.006 7.046 ( -6.939 0.000 -7.973) 10.569 8.105 ( -2.250 0.000 16.191) 16.347 8.465 ( 3.431 0.000 1.077) 3.596 8.623 ( -2.477 0.000 0.884) 2.630 9.143 ( -0.145 0.000 3.207) 3.211 9.640 ( 3.120 0.000 -2.378) 3.923 9.883 ( 5.858 0.000 -5.178) 7.819 ======================= Grid point 188 (87/212) ======================= q-point: (-0.54 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -6.561 0.000 -4.432) 7.917 0.918 ( -1.400 0.000 -4.633) 4.840 0.951 ( -1.423 0.000 -2.862) 3.197 1.178 ( -2.413 0.000 1.096) 2.650 1.201 ( 0.297 0.000 0.129) 0.323 1.375 ( -0.449 0.000 -1.219) 1.299 1.389 ( 0.321 0.000 1.455) 1.490 1.451 ( 6.327 0.000 -0.669) 6.362 1.586 ( 0.925 0.000 -3.095) 3.230 1.672 ( 0.446 0.000 2.673) 2.710 1.711 ( 4.010 0.000 -0.715) 4.073 1.736 ( 3.983 0.000 -5.918) 7.134 2.298 ( 1.508 0.000 0.614) 1.628 2.308 ( -3.530 0.000 3.723) 5.130 2.339 ( 1.724 0.000 -0.984) 1.985 2.767 ( 2.883 0.000 -3.410) 4.466 2.873 ( 10.131 0.000 3.908) 10.858 4.031 ( -9.146 0.000 -4.677) 10.272 5.507 ( -0.178 0.000 11.253) 11.254 6.341 ( 1.792 0.000 -1.692) 2.465 6.341 ( 3.786 0.000 -0.781) 3.866 6.545 ( -1.584 0.000 -7.015) 7.192 6.851 ( -7.779 0.000 -7.737) 10.972 7.032 ( 3.052 0.000 -9.060) 9.560 8.212 ( 1.777 0.000 16.960) 17.053 8.535 ( 2.289 0.000 3.236) 3.964 8.565 ( -3.802 0.000 -0.158) 3.806 9.125 ( -3.354 0.000 1.402) 3.635 9.684 ( 3.182 0.000 -2.278) 3.913 9.941 ( 3.967 0.000 -5.866) 7.081 ======================= Grid point 189 (88/212) ======================= q-point: (-0.46 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -6.125 0.000 -3.518) 7.063 0.849 ( -3.471 0.000 -2.848) 4.489 0.919 ( 0.734 0.000 -4.207) 4.271 1.117 ( -4.409 0.000 0.032) 4.409 1.219 ( 1.464 0.000 0.404) 1.519 1.333 ( -2.148 0.000 -1.711) 2.746 1.401 ( -0.090 0.000 1.153) 1.156 1.569 ( 4.914 0.000 1.524) 5.144 1.614 ( 2.868 0.000 -1.649) 3.308 1.689 ( 0.212 0.000 0.804) 0.832 1.772 ( 2.934 0.000 -4.255) 5.168 1.781 ( 4.748 0.000 -3.542) 5.924 2.252 ( -4.182 0.000 3.405) 5.393 2.308 ( -0.791 0.000 0.713) 1.065 2.353 ( 0.280 0.000 -0.692) 0.747 2.770 ( -0.359 0.000 -3.662) 3.679 3.152 ( 13.955 0.000 9.760) 17.029 3.759 ( -14.185 0.000 -10.509) 17.654 5.590 ( 0.920 0.000 12.234) 12.268 6.302 ( -4.942 0.000 -1.793) 5.258 6.420 ( 4.242 0.000 0.650) 4.292 6.477 ( 0.194 0.000 -8.318) 8.320 6.673 ( -5.623 0.000 -7.456) 9.339 7.038 ( 3.537 0.000 -8.234) 8.962 8.366 ( 1.872 0.000 18.305) 18.401 8.482 ( -4.229 0.000 -1.834) 4.610 8.590 ( 1.774 0.000 2.678) 3.213 9.035 ( -6.491 0.000 -0.035) 6.491 9.729 ( 2.939 0.000 -1.776) 3.434 9.955 ( 1.556 0.000 -5.962) 6.162 ======================= Grid point 190 (89/212) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -5.096 0.000 -2.062) 5.498 0.752 ( -5.061 0.000 -1.977) 5.433 0.925 ( 2.358 0.000 -3.661) 4.355 1.014 ( -6.426 0.000 -0.484) 6.445 1.261 ( 2.547 0.000 1.033) 2.748 1.286 ( -2.138 0.000 -0.394) 2.174 1.397 ( -0.775 0.000 -0.004) 0.775 1.629 ( 0.533 0.000 0.692) 0.874 1.648 ( 0.391 0.000 0.736) 0.834 1.693 ( -0.115 0.000 0.391) 0.408 1.787 ( 1.525 0.000 -3.676) 3.980 1.833 ( 3.363 0.000 -5.996) 6.875 2.225 ( -0.060 0.000 3.291) 3.292 2.285 ( -1.439 0.000 -0.453) 1.509 2.338 ( -1.688 0.000 -0.594) 1.790 2.697 ( -5.126 0.000 -4.148) 6.594 3.385 ( -16.093 0.000 -14.194) 21.459 3.494 ( 14.006 0.000 12.526) 18.790 5.696 ( 1.862 0.000 12.257) 12.398 6.150 ( -9.460 0.000 -1.565) 9.589 6.438 ( 0.928 0.000 -7.597) 7.653 6.490 ( 2.326 0.000 0.312) 2.347 6.557 ( -1.451 0.000 -7.733) 7.868 7.065 ( 4.295 0.000 -5.852) 7.260 8.389 ( -3.487 0.000 -3.781) 5.143 8.477 ( -3.741 0.000 18.524) 18.898 8.661 ( 5.142 0.000 1.518) 5.361 8.888 ( -8.593 0.000 -0.783) 8.628 9.771 ( 2.506 0.000 -1.244) 2.798 9.925 ( -0.689 0.000 -5.450) 5.494 ======================= Grid point 191 (90/212) ======================= q-point: (-0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( -3.068 0.000 -0.548) 3.116 0.635 ( -6.390 0.000 -0.604) 6.419 0.870 ( -8.398 0.000 -0.426) 8.409 0.951 ( 2.483 0.000 -3.110) 3.980 1.243 ( -2.968 0.000 1.520) 3.334 1.320 ( 2.308 0.000 1.035) 2.530 1.371 ( -1.415 0.000 -0.749) 1.601 1.595 ( -4.330 0.000 -0.578) 4.369 1.629 ( -3.011 0.000 1.798) 3.507 1.684 ( -2.109 0.000 1.959) 2.878 1.796 ( 2.605 0.000 -3.875) 4.669 1.833 ( 1.293 0.000 -4.274) 4.465 2.230 ( -3.140 0.000 2.356) 3.926 2.254 ( -7.806 0.000 -3.226) 8.446 2.324 ( 8.027 0.000 -3.352) 8.699 2.531 ( -8.110 0.000 -3.514) 8.839 3.020 ( -11.953 0.000 -13.412) 17.966 3.818 ( 11.371 0.000 12.367) 16.800 5.807 ( 1.710 0.000 11.074) 11.205 5.940 ( -11.585 0.000 -1.077) 11.635 6.420 ( 2.155 0.000 -8.324) 8.598 6.494 ( -1.660 0.000 -1.611) 2.314 6.513 ( 1.572 0.000 -5.310) 5.537 7.127 ( 5.063 0.000 -2.678) 5.728 8.309 ( -1.682 0.000 -5.671) 5.915 8.470 ( -7.352 0.000 14.346) 16.121 8.717 ( -8.678 0.000 -0.414) 8.688 8.789 ( 5.830 0.000 3.521) 6.811 9.806 ( 2.038 0.000 -1.251) 2.391 9.864 ( -2.279 0.000 -4.410) 4.964 ======================= Grid point 192 (91/212) ======================= q-point: (-0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( -0.035 0.000 0.511) 0.512 0.512 ( -6.917 0.000 2.694) 7.423 0.699 ( -9.493 0.000 0.713) 9.520 0.966 ( 0.918 0.000 -3.610) 3.725 1.190 ( -4.500 0.000 3.915) 5.965 1.297 ( -3.032 0.000 -3.351) 4.519 1.384 ( 0.625 0.000 3.555) 3.609 1.460 ( -8.995 0.000 -0.178) 8.996 1.582 ( -2.824 0.000 1.502) 3.198 1.625 ( -6.046 0.000 3.330) 6.902 1.848 ( 3.714 0.000 -1.920) 4.181 1.851 ( 2.863 0.000 -2.763) 3.979 1.981 ( -12.872 0.000 -8.546) 15.451 2.178 ( -3.392 0.000 1.249) 3.615 2.427 ( -2.544 0.000 1.216) 2.820 2.471 ( 9.685 0.000 -5.049) 10.922 2.773 ( -6.732 0.000 -9.794) 11.884 4.061 ( 6.519 0.000 9.594) 11.599 5.715 ( -11.447 0.000 -0.192) 11.449 5.894 ( 0.786 0.000 8.468) 8.504 6.377 ( -0.457 0.000 -10.782) 10.792 6.408 ( -5.642 0.000 -2.999) 6.390 6.575 ( 6.966 0.000 -0.517) 6.985 7.209 ( 4.486 0.000 -1.181) 4.639 8.255 ( 0.169 0.000 -6.706) 6.708 8.403 ( -8.437 0.000 11.806) 14.511 8.577 ( -5.774 0.000 1.121) 5.882 8.906 ( 3.979 0.000 3.207) 5.110 9.789 ( -3.072 0.000 -3.035) 4.318 9.829 ( 1.452 0.000 -2.420) 2.822 ======================= Grid point 193 (92/212) ======================= q-point: (-0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 1.016 0.000 1.142) 1.529 0.449 ( -3.200 0.000 11.634) 12.066 0.553 ( -6.095 0.000 3.904) 7.238 0.918 ( -3.834 0.000 -3.157) 4.967 1.129 ( -5.401 0.000 6.872) 8.740 1.205 ( -5.083 0.000 2.024) 5.471 1.284 ( -8.927 0.000 -0.000) 8.927 1.402 ( -1.139 0.000 2.466) 2.716 1.503 ( -7.656 0.000 2.392) 8.021 1.547 ( -1.878 0.000 1.419) 2.354 1.721 ( -4.629 0.000 -6.201) 7.738 1.898 ( 3.439 0.000 -1.474) 3.742 1.964 ( 4.430 0.000 0.363) 4.445 2.123 ( -3.054 0.000 0.912) 3.187 2.410 ( -1.614 0.000 1.928) 2.515 2.607 ( 8.352 0.000 -6.367) 10.503 2.651 ( 0.232 0.000 -4.809) 4.815 4.170 ( -0.104 0.000 4.583) 4.584 5.522 ( -8.974 0.000 1.263) 9.063 5.945 ( 0.151 0.000 4.329) 4.332 6.259 ( -7.624 0.000 -2.434) 8.003 6.272 ( -3.525 0.000 -9.203) 9.855 6.751 ( 11.274 0.000 0.234) 11.277 7.262 ( 1.984 0.000 -2.444) 3.148 8.236 ( 2.235 0.000 -4.927) 5.410 8.314 ( -8.262 0.000 10.248) 13.163 8.524 ( -1.168 0.000 2.318) 2.595 8.973 ( 1.358 0.000 1.704) 2.179 9.714 ( -3.186 0.000 -1.621) 3.575 9.821 ( -0.205 0.000 -4.685) 4.690 ======================= Grid point 194 (93/212) ======================= q-point: (-0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 0.797 0.000 5.056) 5.118 0.503 ( -3.198 0.000 12.126) 12.540 0.561 ( 3.117 0.000 4.812) 5.733 0.882 ( 2.606 0.000 8.601) 8.987 1.080 ( -5.185 0.000 9.573) 10.887 1.145 ( -5.478 0.000 -0.004) 5.478 1.170 ( -2.429 0.000 9.298) 9.610 1.341 ( -4.014 0.000 -3.144) 5.099 1.439 ( -1.579 0.000 2.347) 2.828 1.528 ( -1.195 0.000 1.581) 1.981 1.669 ( 1.046 0.000 -1.318) 1.682 1.957 ( 3.183 0.000 -0.275) 3.195 2.017 ( 0.295 0.000 1.592) 1.619 2.079 ( -2.079 0.000 0.747) 2.209 2.358 ( -3.373 0.000 -1.315) 3.620 2.696 ( 5.568 0.000 -7.243) 9.136 2.762 ( 11.152 0.000 2.432) 11.414 4.112 ( -6.912 0.000 -1.766) 7.134 5.407 ( -4.432 0.000 3.083) 5.399 5.920 ( -4.921 0.000 -2.876) 5.700 6.148 ( -1.951 0.000 1.782) 2.642 6.153 ( -3.246 0.000 -4.823) 5.813 6.977 ( 12.587 0.000 -2.538) 12.840 7.248 ( -0.875 0.000 -4.610) 4.692 8.232 ( -6.762 0.000 9.137) 11.367 8.287 ( 5.393 0.000 -1.902) 5.719 8.549 ( 1.589 0.000 3.175) 3.551 8.975 ( -1.756 0.000 -0.303) 1.782 9.651 ( -2.717 0.000 -0.485) 2.760 9.752 ( -3.717 0.000 -4.997) 6.228 ======================= Grid point 195 (94/212) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 5.760 5.941 5.411) 9.887 0.577 ( -1.609 7.081 5.099) 8.873 0.707 ( 5.448 2.827 4.861) 7.830 0.948 ( -0.497 -5.373 10.903) 12.165 1.070 ( 3.012 1.354 -0.490) 3.339 1.115 ( -1.445 2.415 -0.009) 2.814 1.295 ( -0.893 1.539 -2.600) 3.150 1.390 ( 1.142 4.920 9.787) 11.014 1.426 ( -1.931 1.353 -0.144) 2.362 1.489 ( -0.733 0.049 4.319) 4.381 1.705 ( 5.110 -2.380 2.188) 6.047 2.005 ( -0.327 -0.520 0.003) 0.614 2.025 ( -0.879 1.612 1.443) 2.335 2.081 ( 0.707 1.342 0.612) 1.636 2.263 ( -0.700 -2.091 0.958) 2.404 2.688 ( 5.081 -3.135 -5.152) 7.886 3.091 ( 8.353 5.366 5.358) 11.281 3.850 ( -10.622 -4.903 -6.517) 13.391 5.427 ( 0.896 2.390 4.407) 5.092 5.769 ( -8.184 0.571 -4.873) 9.542 6.113 ( 4.982 -0.736 -1.876) 5.374 6.181 ( 2.898 -0.693 -1.007) 3.146 7.133 ( 7.894 -1.500 -3.156) 8.633 7.203 ( -1.343 1.145 -5.581) 5.854 8.156 ( -3.610 -0.952 8.235) 9.042 8.427 ( 4.662 -0.288 -2.866) 5.480 8.624 ( 2.521 1.932 5.810) 6.622 8.895 ( -4.355 -0.758 -1.670) 4.725 9.582 ( -2.263 -1.234 0.458) 2.618 9.655 ( -3.143 0.235 -2.210) 3.850 ======================= Grid point 196 (95/212) ======================= q-point: ( 0.08 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 3.789 3.431 4.465) 6.787 0.716 ( 7.191 5.047 3.132) 9.327 0.835 ( 4.245 0.963 4.461) 6.233 1.021 ( 1.383 -3.945 8.094) 9.110 1.095 ( 1.078 1.805 0.937) 2.301 1.141 ( 3.438 1.372 -1.539) 4.009 1.272 ( 0.809 4.511 -1.369) 4.783 1.379 ( -2.301 1.231 -0.944) 2.775 1.452 ( 0.740 -4.471 2.781) 5.317 1.526 ( 0.787 1.903 5.049) 5.452 1.832 ( 4.610 -4.543 3.263) 7.248 1.950 ( -3.593 -0.903 -0.430) 3.730 2.043 ( 1.443 1.123 0.133) 1.834 2.104 ( 0.907 -0.195 -0.275) 0.967 2.308 ( 3.856 3.159 4.311) 6.590 2.687 ( -0.829 2.649 -7.576) 8.068 3.322 ( 9.982 -1.587 10.687) 14.710 3.579 ( -11.570 -2.152 -9.921) 15.392 5.522 ( 5.654 1.195 5.336) 7.866 5.603 ( -6.364 1.481 -3.313) 7.326 6.208 ( 6.785 -1.057 -4.164) 8.031 6.252 ( 5.491 -0.939 -3.208) 6.429 7.149 ( -0.763 2.159 -4.370) 4.934 7.229 ( 4.833 -1.601 -4.356) 6.700 8.151 ( -2.863 0.179 9.197) 9.634 8.486 ( 3.333 -3.053 -2.452) 5.142 8.716 ( 2.231 0.664 4.123) 4.735 8.787 ( -4.494 1.034 -0.632) 4.655 9.553 ( -0.997 -0.593 0.362) 1.215 9.610 ( -0.337 0.483 -1.104) 1.251 ======================= Grid point 197 (96/212) ======================= q-point: ( 0.15 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 5.692 -0.052 2.231) 6.114 0.852 ( 5.007 2.216 1.726) 5.741 0.916 ( 2.182 -0.613 3.856) 4.473 1.080 ( 1.629 0.899 2.377) 3.018 1.133 ( 1.641 2.768 -0.411) 3.244 1.213 ( 5.045 -0.609 0.009) 5.082 1.317 ( 3.047 3.721 -1.125) 4.940 1.340 ( -0.782 0.821 1.540) 1.913 1.485 ( 1.853 -4.228 1.949) 5.011 1.558 ( -0.011 0.092 2.138) 2.140 1.850 ( -3.261 0.155 -0.546) 3.310 1.921 ( 0.673 -6.627 0.049) 6.661 2.084 ( 2.837 -0.597 -0.382) 2.925 2.102 ( -0.485 -1.577 -1.739) 2.398 2.433 ( 5.358 5.861 2.659) 8.375 2.584 ( -3.722 7.314 -6.509) 10.475 3.276 ( -10.315 -0.746 -12.004) 15.845 3.615 ( 9.916 -4.416 13.244) 17.124 5.491 ( -3.858 2.172 -1.020) 4.543 5.696 ( 8.541 -0.752 5.336) 10.099 6.289 ( 4.293 -1.376 -4.049) 6.060 6.346 ( 7.516 -1.257 -5.594) 9.453 7.117 ( 0.195 2.887 -4.324) 5.203 7.264 ( 2.288 -0.972 -4.994) 5.579 8.163 ( -3.082 1.228 11.631) 12.095 8.505 ( -0.730 -4.151 -2.265) 4.784 8.648 ( -2.719 2.702 -4.259) 5.730 8.851 ( 3.516 -1.294 7.375) 8.272 9.551 ( 0.817 0.220 -0.501) 0.983 9.626 ( 2.877 -0.127 -1.575) 3.282 ======================= Grid point 198 (97/212) ======================= q-point: ( 0.23 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 3.408 -3.139 -0.904) 4.721 0.913 ( 1.601 -1.236 0.361) 2.054 0.988 ( 2.686 -0.757 2.698) 3.882 1.123 ( 2.793 3.384 -1.627) 4.679 1.164 ( 1.163 2.220 1.934) 3.165 1.289 ( 1.019 -1.390 0.455) 1.782 1.317 ( 1.865 5.098 -0.762) 5.482 1.399 ( 2.790 -1.436 1.318) 3.403 1.551 ( 2.306 -2.330 -0.013) 3.278 1.561 ( 1.006 0.879 0.967) 1.649 1.785 ( -2.431 0.934 -1.039) 2.804 1.916 ( -0.700 -6.017 -2.813) 6.679 2.061 ( -1.598 0.418 -2.810) 3.260 2.138 ( 2.989 -3.170 -0.740) 4.419 2.418 ( -3.229 6.340 -4.029) 8.177 2.611 ( 6.298 8.226 0.558) 10.375 3.027 ( -7.712 1.346 -11.239) 13.697 3.865 ( 7.316 -7.176 11.711) 15.562 5.442 ( -1.855 2.475 2.121) 3.750 5.893 ( 8.697 -3.395 4.039) 10.172 6.326 ( 2.754 1.569 -4.486) 5.493 6.451 ( 6.858 -3.164 -4.826) 8.963 7.095 ( 0.715 2.687 -5.563) 6.219 7.253 ( 0.118 -0.690 -5.820) 5.862 8.171 ( -5.884 2.287 15.623) 16.850 8.437 ( -1.457 0.279 -5.836) 6.022 8.625 ( 0.420 -0.316 -0.293) 0.601 8.960 ( 3.259 -3.175 6.210) 7.699 9.575 ( 2.350 0.860 -1.548) 2.942 9.692 ( 5.384 -0.569 -2.775) 6.084 ======================= Grid point 199 (98/212) ======================= q-point: ( 0.31 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -0.729 -4.194 -2.216) 4.799 0.932 ( 1.225 -4.100 -4.276) 6.050 1.042 ( 1.089 1.250 2.716) 3.181 1.157 ( 1.530 0.950 -1.170) 2.148 1.191 ( 0.092 0.734 2.353) 2.467 1.290 ( 0.321 0.943 -0.387) 1.069 1.365 ( 2.178 3.279 1.167) 4.105 1.444 ( 1.494 0.556 -0.626) 1.712 1.548 ( -0.195 -1.615 -0.176) 1.637 1.614 ( 3.862 1.501 -3.537) 5.448 1.751 ( -1.010 2.034 -0.292) 2.289 1.841 ( -3.529 1.347 -6.102) 7.177 2.066 ( 3.607 -3.079 0.322) 4.753 2.183 ( 2.109 -4.391 -0.505) 4.897 2.369 ( -0.392 4.479 -0.754) 4.559 2.727 ( 5.424 5.025 -1.506) 7.546 2.855 ( -3.278 5.308 -7.804) 9.991 4.023 ( 2.735 -8.877 7.267) 11.794 5.443 ( -0.805 2.551 5.441) 6.063 6.060 ( 6.784 -6.160 1.981) 9.375 6.343 ( 2.085 3.825 -4.046) 5.946 6.536 ( 5.087 -3.020 -4.351) 7.344 7.070 ( 0.782 1.744 -7.061) 7.316 7.189 ( -2.505 -0.421 -6.929) 7.380 8.144 ( -6.925 3.997 16.357) 18.207 8.422 ( 2.602 1.385 -3.151) 4.315 8.628 ( -0.818 -1.359 1.596) 2.251 9.046 ( 2.110 -4.285 4.474) 6.544 9.616 ( 3.257 1.545 -2.385) 4.322 9.784 ( 6.406 -0.892 -4.096) 7.656 ======================= Grid point 200 (99/212) ======================= q-point: ( 0.38 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -4.567 -4.165 -3.419) 7.063 0.907 ( 0.808 -5.195 -7.469) 9.134 1.056 ( -1.332 3.996 2.046) 4.683 1.167 ( 0.075 -1.143 -0.078) 1.148 1.198 ( -1.003 0.089 2.120) 2.347 1.305 ( 1.920 -1.946 -0.751) 2.835 1.411 ( 1.670 3.140 1.419) 3.829 1.453 ( 0.527 3.091 -1.977) 3.707 1.554 ( 1.343 -0.644 -0.665) 1.631 1.671 ( 3.800 1.373 -3.488) 5.337 1.732 ( -1.040 2.869 0.153) 3.056 1.759 ( 0.257 4.314 -5.217) 6.775 2.161 ( 4.175 -6.050 2.179) 7.667 2.207 ( 0.994 -4.797 -0.646) 4.941 2.378 ( 0.926 3.233 0.908) 3.484 2.734 ( 0.354 -1.524 -4.901) 5.144 2.875 ( 5.888 12.118 -0.672) 13.490 4.054 ( -2.548 -9.043 1.664) 9.541 5.476 ( -0.351 2.572 8.203) 8.604 6.174 ( 4.513 -7.790 0.397) 9.012 6.357 ( 2.130 3.894 -3.601) 5.715 6.576 ( 2.042 -1.443 -5.042) 5.628 7.012 ( -2.953 0.008 -8.364) 8.870 7.097 ( -0.906 1.948 -7.078) 7.397 8.152 ( -3.006 4.133 16.273) 17.057 8.467 ( 2.158 -0.018 0.931) 2.350 8.614 ( -1.564 -0.352 1.743) 2.369 9.091 ( 0.008 -4.649 2.777) 5.415 9.664 ( 3.483 2.071 -2.851) 4.955 9.871 ( 5.765 -1.116 -5.195) 7.840 ======================= Grid point 201 (100/212) ======================= q-point: (-0.54 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -5.561 -3.439 -4.684) 8.043 0.876 ( 0.535 -4.275 -6.631) 7.908 1.023 ( -2.589 5.293 0.290) 5.899 1.163 ( -1.415 -1.527 1.320) 2.465 1.177 ( -1.318 -0.491 0.004) 1.406 1.337 ( -0.052 -3.692 0.745) 3.767 1.432 ( 1.862 0.777 -4.285) 4.736 1.465 ( 2.190 3.855 2.023) 4.874 1.591 ( 2.930 1.529 -1.066) 3.472 1.695 ( 1.078 0.361 -0.434) 1.217 1.721 ( -0.215 2.682 -0.411) 2.722 1.792 ( 4.725 3.156 -4.600) 7.310 2.181 ( -2.504 -7.269 2.051) 7.957 2.251 ( 2.882 -3.645 -0.653) 4.693 2.405 ( 0.917 2.994 1.652) 3.540 2.748 ( 3.237 -1.751 -3.056) 4.784 3.006 ( 7.477 10.491 3.115) 13.254 3.948 ( -7.849 -7.308 -3.987) 11.441 5.533 ( 0.223 2.544 9.922) 10.245 6.236 ( 1.975 -8.346 -0.322) 8.583 6.382 ( 2.867 2.681 -2.860) 4.856 6.542 ( -1.451 -0.385 -6.956) 7.116 6.871 ( -5.483 2.328 -6.903) 9.118 7.068 ( 2.258 2.316 -7.934) 8.568 8.235 ( 0.076 2.013 16.666) 16.787 8.485 ( -1.912 -3.126 2.405) 4.383 8.610 ( 0.462 2.872 1.496) 3.271 9.079 ( -2.759 -4.153 1.353) 5.166 9.708 ( 3.181 2.101 -2.862) 4.767 9.928 ( 3.931 -1.227 -5.847) 7.152 ======================= Grid point 202 (101/212) ======================= q-point: (-0.46 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -4.188 -1.578 -4.136) 6.094 0.836 ( -1.037 -2.271 -4.710) 5.331 0.976 ( -1.687 4.994 -1.492) 5.479 1.104 ( -4.700 -1.068 0.517) 4.847 1.175 ( 0.258 -2.643 0.072) 2.656 1.306 ( -1.603 -2.652 -1.442) 3.417 1.448 ( 0.277 3.502 0.808) 3.605 1.556 ( 6.143 -0.695 -0.027) 6.183 1.637 ( 2.424 1.069 -1.272) 2.939 1.703 ( 0.125 -0.937 -2.321) 2.506 1.724 ( 0.359 1.889 1.789) 2.627 1.832 ( 1.977 0.325 -4.612) 5.028 2.138 ( -2.478 -5.699 1.291) 6.347 2.278 ( 0.426 -2.590 -0.391) 2.654 2.432 ( 0.787 3.949 1.664) 4.357 2.778 ( 1.344 -0.112 -3.611) 3.855 3.209 ( 10.026 5.098 8.327) 13.995 3.714 ( -12.320 -3.891 -8.804) 15.634 5.613 ( 1.267 2.348 10.668) 10.996 6.233 ( -2.540 -6.558 -0.222) 7.036 6.421 ( 2.279 0.180 -2.622) 3.479 6.455 ( -1.311 -1.330 -8.541) 8.743 6.744 ( -3.424 6.129 -5.100) 8.678 7.071 ( 3.284 2.356 -7.607) 8.614 8.344 ( -0.365 -1.806 14.482) 14.599 8.439 ( -3.894 -2.910 3.663) 6.087 8.644 ( 1.978 3.913 1.465) 4.623 9.006 ( -5.485 -2.713 0.362) 6.130 9.746 ( 2.635 1.536 -2.427) 3.898 9.942 ( 1.598 -1.207 -5.933) 6.262 ======================= Grid point 203 (102/212) ======================= q-point: (-0.38 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -2.345 1.589 -3.101) 4.200 0.772 ( -3.557 0.620 -1.821) 4.044 0.947 ( -0.306 2.001 -2.992) 3.612 1.002 ( -5.755 -0.523 0.049) 5.779 1.178 ( -0.112 -4.791 0.248) 4.799 1.285 ( 0.184 -1.684 -0.556) 1.783 1.446 ( -1.232 4.195 1.066) 4.500 1.638 ( -1.032 -0.103 0.825) 1.325 1.661 ( 0.425 -0.428 -0.936) 1.113 1.692 ( 2.810 -1.725 -3.422) 4.752 1.742 ( 0.734 -0.361 0.884) 1.204 1.801 ( -1.517 -3.627 -3.485) 5.254 2.125 ( 0.919 -3.191 -1.005) 3.470 2.266 ( -1.416 -1.613 -0.057) 2.147 2.463 ( 1.866 6.096 1.094) 6.468 2.734 ( -3.484 2.881 -4.436) 6.334 3.351 ( -11.761 -1.837 -8.020) 14.353 3.510 ( 7.972 0.632 7.478) 10.949 5.715 ( 2.131 1.952 10.653) 11.038 6.129 ( -8.118 -2.235 0.009) 8.420 6.387 ( 0.119 -2.972 -6.395) 7.053 6.432 ( 1.165 -3.565 -7.000) 7.942 6.689 ( 0.094 9.035 -2.705) 9.432 7.096 ( 4.056 2.338 -5.713) 7.386 8.334 ( -3.377 -4.023 -1.079) 5.362 8.445 ( -4.413 -2.931 16.143) 16.990 8.708 ( 3.977 3.483 1.304) 5.445 8.885 ( -7.162 -0.324 0.304) 7.175 9.776 ( 1.967 0.529 -1.828) 2.737 9.914 ( -0.523 -1.031 -5.448) 5.569 ======================= Grid point 204 (103/212) ======================= q-point: (-0.31 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -0.452 4.817 -2.163) 5.299 0.684 ( -5.258 3.576 1.001) 6.437 0.845 ( -8.173 -1.771 -0.231) 8.366 0.965 ( 1.312 1.030 -2.963) 3.401 1.173 ( -1.278 -4.899 1.725) 5.348 1.299 ( 1.116 -1.976 0.086) 2.271 1.416 ( -2.255 3.593 0.185) 4.247 1.564 ( -6.938 -6.403 -0.767) 9.472 1.594 ( -4.125 -0.655 -0.644) 4.226 1.708 ( -1.698 2.052 1.130) 2.894 1.783 ( 1.532 -1.451 -1.613) 2.656 1.795 ( 4.973 -1.682 -2.614) 5.864 2.132 ( 0.360 -3.256 -3.945) 5.127 2.227 ( -2.693 -0.743 0.335) 2.814 2.522 ( 2.775 5.175 -0.882) 5.938 2.589 ( -7.175 9.030 -3.787) 12.139 3.022 ( -12.423 1.015 -11.318) 16.836 3.768 ( 9.596 -4.660 11.153) 15.434 5.820 ( 1.674 1.340 9.482) 9.721 5.947 ( -10.605 0.622 0.186) 10.625 6.357 ( -0.155 -3.991 -4.060) 5.695 6.394 ( 0.864 -4.683 -9.862) 10.951 6.689 ( 1.215 9.921 -2.065) 10.206 7.151 ( 4.640 1.804 -3.023) 5.825 8.265 ( -1.947 -3.393 -3.710) 5.391 8.428 ( -7.097 -3.762 13.241) 15.487 8.739 ( -6.166 2.025 0.402) 6.503 8.817 ( 3.503 1.965 3.274) 5.181 9.794 ( 0.845 -0.859 -1.588) 1.993 9.860 ( -1.566 -0.585 -4.484) 4.786 ======================= Grid point 205 (104/212) ======================= q-point: (-0.23 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 1.433 6.682 -1.387) 6.974 0.597 ( -5.633 6.142 4.724) 9.579 0.683 ( -8.734 -0.203 1.764) 8.912 0.967 ( 0.760 -0.121 -3.597) 3.678 1.140 ( -4.567 -4.017 4.476) 7.552 1.300 ( -1.338 -0.064 -2.711) 3.024 1.372 ( -3.736 -0.086 0.839) 3.830 1.426 ( -4.275 -5.641 0.994) 7.147 1.522 ( -3.314 -1.116 -0.549) 3.540 1.661 ( -4.021 2.415 1.532) 4.934 1.810 ( 1.521 -1.786 -1.135) 2.606 1.878 ( 4.615 1.658 -0.870) 4.980 2.041 ( -5.926 1.937 -8.024) 10.162 2.176 ( -3.029 -0.165 0.718) 3.117 2.381 ( -6.514 0.670 -1.030) 6.629 2.650 ( 6.960 9.520 -1.715) 11.917 2.773 ( -7.119 2.470 -8.388) 11.276 3.982 ( 5.762 -7.377 8.950) 12.951 5.733 ( -10.735 1.680 0.031) 10.866 5.909 ( 0.662 1.362 8.091) 8.231 6.300 ( -3.402 -6.361 -4.929) 8.737 6.344 ( -0.152 -2.719 -8.484) 8.911 6.718 ( 3.718 9.353 -1.717) 10.210 7.222 ( 4.211 0.783 -1.956) 4.709 8.217 ( -0.485 -2.724 -3.980) 4.847 8.370 ( -6.327 -3.007 9.955) 12.172 8.628 ( -5.750 4.153 2.161) 7.415 8.907 ( 3.151 -0.037 2.772) 4.197 9.765 ( -2.596 -1.610 -2.163) 3.743 9.823 ( 0.329 -0.798 -3.263) 3.376 ======================= Grid point 206 (105/212) ======================= q-point: (-0.15 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 1.094 6.913 -0.578) 7.023 0.535 ( -4.567 2.831 8.157) 9.768 0.597 ( -2.503 8.319 7.734) 11.631 0.933 ( -2.638 0.543 -2.054) 3.387 1.066 ( -5.481 -4.388 5.134) 8.698 1.223 ( -4.178 2.538 -0.183) 4.892 1.298 ( -2.036 -0.438 -2.108) 2.963 1.427 ( 0.089 -2.579 3.300) 4.189 1.458 ( -3.541 -0.458 0.510) 3.606 1.581 ( -5.918 4.024 3.144) 7.816 1.747 ( -5.912 2.814 -4.729) 8.077 1.913 ( 2.148 1.657 -1.612) 3.156 1.994 ( 3.796 1.027 -0.609) 3.979 2.124 ( -2.717 0.203 0.550) 2.779 2.320 ( -1.483 -4.648 1.308) 5.051 2.610 ( -2.866 -2.465 -6.363) 7.401 2.798 ( 7.759 12.927 -1.693) 15.172 4.084 ( 0.078 -8.090 4.582) 9.298 5.549 ( -8.636 2.578 1.135) 9.083 5.963 ( 0.697 1.313 4.934) 5.153 6.169 ( -6.670 -6.149 -5.208) 10.460 6.267 ( -2.870 -1.089 -6.106) 6.834 6.819 ( 7.764 5.588 -0.950) 9.613 7.269 ( 2.341 0.033 -3.656) 4.341 8.194 ( -0.970 -2.242 0.566) 2.508 8.334 ( -2.280 -0.376 5.093) 5.593 8.562 ( -2.860 4.002 3.145) 5.838 8.961 ( 0.927 -1.176 1.574) 2.172 9.696 ( -3.282 -1.313 -1.255) 3.751 9.800 ( -0.661 -1.763 -4.155) 4.561 ======================= Grid point 207 (106/212) ======================= q-point: (-0.08 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 1.267 6.567 4.911) 8.297 0.577 ( 2.809 2.793 4.474) 5.976 0.614 ( -2.987 9.079 8.666) 12.901 0.897 ( -1.464 -0.929 8.375) 8.552 1.031 ( -0.101 -1.157 0.935) 1.491 1.160 ( -3.381 2.771 1.553) 4.639 1.277 ( 1.008 2.219 0.693) 2.534 1.391 ( -4.803 4.311 3.701) 7.440 1.443 ( -0.598 -0.353 2.475) 2.571 1.503 ( -3.576 1.780 3.123) 5.071 1.659 ( -0.267 -0.135 -2.728) 2.744 1.964 ( 3.068 0.134 -0.015) 3.071 2.038 ( 0.086 1.372 1.313) 1.901 2.086 ( -1.528 0.795 0.546) 1.807 2.295 ( -2.135 -4.586 0.008) 5.059 2.600 ( 5.086 -5.203 -3.382) 8.024 2.933 ( 7.333 11.194 -0.188) 13.384 4.037 ( -6.136 -7.046 -1.090) 9.406 5.437 ( -4.381 2.817 2.780) 5.905 5.951 ( -5.971 2.000 -4.958) 8.014 6.052 ( -0.026 -5.394 2.028) 5.762 6.184 ( -1.875 0.438 -3.180) 3.717 6.980 ( 9.453 1.080 -1.479) 9.628 7.258 ( -0.166 0.248 -5.800) 5.808 8.177 ( -3.401 -2.022 6.522) 7.629 8.358 ( 3.233 1.712 -0.651) 3.716 8.563 ( 0.325 2.605 4.298) 5.037 8.959 ( -1.739 -1.476 -0.045) 2.281 9.631 ( -3.024 -1.284 -0.191) 3.291 9.739 ( -2.907 -1.268 -4.198) 5.261 ======================= Grid point 208 (107/212) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 1.699 4.626 6.796) 8.395 0.768 ( 2.654 8.821 0.407) 9.221 0.806 ( -0.252 3.467 5.662) 6.644 0.872 ( 2.118 0.122 5.514) 5.908 1.095 ( 3.675 0.378 -0.184) 3.699 1.158 ( -1.848 2.109 -1.303) 3.092 1.279 ( 1.172 -2.334 -2.181) 3.403 1.306 ( -0.438 -7.517 2.326) 7.881 1.501 ( -1.290 4.735 -1.933) 5.275 1.636 ( -2.835 6.703 -1.163) 7.370 1.667 ( 2.622 0.130 3.783) 4.604 1.946 ( -0.818 -5.256 -3.377) 6.300 2.062 ( -0.609 1.764 1.518) 2.406 2.099 ( -0.324 0.274 0.586) 0.724 2.280 ( 3.879 4.351 6.104) 8.440 2.581 ( 7.938 -6.753 -0.506) 10.434 3.256 ( 1.166 9.675 3.757) 10.444 3.698 ( -8.013 -9.215 -2.649) 12.496 5.504 ( -0.013 4.892 3.070) 5.775 5.739 ( -5.769 -3.821 -2.393) 7.321 6.110 ( 5.146 0.624 -2.907) 5.943 6.161 ( 1.889 -1.099 -3.448) 4.082 7.134 ( 5.308 1.705 -1.784) 5.853 7.217 ( 0.554 -0.254 -4.626) 4.666 8.165 ( -1.926 1.963 6.468) 7.028 8.352 ( 1.922 -5.454 -0.169) 5.785 8.706 ( 0.997 4.720 3.614) 6.027 8.864 ( -3.199 -2.253 -0.202) 3.918 9.576 ( -1.601 0.713 -0.638) 1.866 9.642 ( -1.878 -1.365 -2.598) 3.484 ======================= Grid point 209 (108/212) ======================= q-point: ( 0.08 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 1.381 4.579 4.236) 6.389 0.822 ( 2.021 3.813 3.629) 5.638 0.870 ( 1.871 2.317 6.327) 6.993 0.985 ( 6.174 1.341 3.400) 7.175 1.126 ( 1.369 -0.305 -3.530) 3.799 1.168 ( 2.174 2.286 1.717) 3.591 1.294 ( 1.880 -1.939 -1.255) 2.978 1.318 ( 0.510 -6.910 2.113) 7.244 1.460 ( -0.875 5.597 -3.479) 6.648 1.602 ( -0.786 4.029 0.218) 4.111 1.736 ( 2.133 -3.688 2.738) 5.064 1.887 ( -2.581 -5.131 -3.404) 6.677 2.062 ( 0.013 1.103 0.452) 1.192 2.095 ( -0.357 -0.247 0.573) 0.719 2.432 ( 7.305 7.578 5.104) 11.698 2.701 ( 5.023 -2.219 -4.024) 6.808 3.320 ( 2.046 2.007 7.897) 8.401 3.507 ( -8.869 -4.499 -4.170) 10.784 5.561 ( 3.453 2.327 3.772) 5.618 5.626 ( -4.536 0.314 -1.824) 4.899 6.184 ( 5.019 -0.914 -4.954) 7.111 6.216 ( 6.455 -2.178 -4.462) 8.143 7.195 ( 1.245 1.763 -3.141) 3.811 7.215 ( 3.291 0.390 -2.842) 4.365 8.180 ( -1.252 2.714 7.505) 8.078 8.384 ( 1.362 -5.846 0.469) 6.021 8.748 ( 0.772 1.701 2.249) 2.923 8.794 ( -3.552 -0.344 0.443) 3.596 9.555 ( -0.022 0.777 -0.937) 1.218 9.606 ( -0.090 -0.814 -2.071) 2.227 ======================= Grid point 210 (109/212) ======================= q-point: ( 0.15 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 1.984 2.876 2.283) 4.174 0.867 ( 0.434 -0.559 3.072) 3.152 0.947 ( 2.686 3.282 3.065) 5.233 1.095 ( 2.631 -0.529 1.236) 2.955 1.177 ( 6.876 1.100 -3.146) 7.641 1.211 ( 1.328 1.468 2.269) 3.011 1.312 ( -0.101 -2.206 1.841) 2.874 1.368 ( 2.344 -4.873 1.121) 5.523 1.449 ( 3.017 5.993 -2.502) 7.161 1.595 ( -0.256 2.812 0.217) 2.832 1.777 ( 0.776 -6.006 0.377) 6.068 1.819 ( -2.191 -3.447 -2.234) 4.655 2.066 ( 0.271 0.186 -0.487) 0.588 2.095 ( 0.195 -0.150 -0.016) 0.247 2.577 ( 4.942 7.066 -0.400) 8.632 2.713 ( 0.896 3.542 -4.932) 6.138 3.274 ( -7.803 1.351 -4.946) 9.337 3.493 ( 4.905 -6.697 10.425) 13.326 5.550 ( -2.609 3.215 -0.472) 4.167 5.670 ( 5.165 -1.769 3.728) 6.611 6.256 ( 5.956 -1.005 -4.382) 7.463 6.311 ( 6.691 -2.204 -5.449) 8.906 7.185 ( 0.393 3.021 -4.172) 5.166 7.249 ( 2.062 -0.482 -4.061) 4.579 8.212 ( -1.438 3.347 9.626) 10.293 8.407 ( 0.290 -5.008 1.747) 5.312 8.700 ( -3.156 2.374 -2.002) 4.428 8.810 ( 1.256 -2.436 4.471) 5.244 9.564 ( 1.855 1.020 -1.676) 2.700 9.616 ( 2.634 -0.886 -2.302) 3.609 ======================= Grid point 211 (110/212) ======================= q-point: ( 0.23 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.770 0.385 -0.974) 1.300 0.878 ( -0.300 -1.694 -0.284) 1.743 1.008 ( 2.385 2.370 1.895) 3.860 1.136 ( 1.831 -1.624 0.046) 2.448 1.234 ( 0.309 3.308 0.544) 3.367 1.271 ( 1.553 0.291 0.624) 1.699 1.349 ( 3.632 -2.298 1.387) 4.516 1.403 ( 2.235 0.111 -0.161) 2.243 1.529 ( 4.058 2.600 -0.361) 4.833 1.604 ( 1.678 2.313 0.265) 2.870 1.749 ( -0.552 -3.914 -3.073) 5.007 1.811 ( 0.326 -3.791 0.798) 3.887 2.062 ( -0.305 0.335 -1.128) 1.215 2.102 ( 0.936 -0.732 -1.228) 1.709 2.562 ( -2.609 6.833 -5.170) 8.957 2.736 ( 2.744 1.672 -3.600) 4.825 3.126 ( -3.810 9.076 -3.625) 10.489 3.657 ( 4.808 -12.002 8.882) 15.686 5.521 ( -0.983 4.940 1.586) 5.281 5.790 ( 4.973 -6.226 2.804) 8.447 6.348 ( 6.062 0.572 -3.405) 6.976 6.397 ( 6.040 -1.657 -4.621) 7.783 7.155 ( -0.154 2.703 -5.724) 6.332 7.235 ( -0.096 -1.015 -5.989) 6.075 8.240 ( -3.443 4.113 12.822) 13.899 8.419 ( -0.185 -2.542 2.267) 3.411 8.646 ( -1.428 2.947 -1.115) 3.460 8.867 ( 1.842 -5.401 3.770) 6.839 9.601 ( 3.509 1.598 -2.545) 4.620 9.672 ( 5.010 -1.305 -3.149) 6.059 ======================= Grid point 212 (111/212) ======================= q-point: ( 0.31 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -1.370 -1.265 -3.179) 3.685 0.849 ( -1.303 -3.245 -3.903) 5.240 1.066 ( 2.315 1.690 2.351) 3.707 1.165 ( 1.300 -1.159 -0.721) 1.885 1.221 ( -1.810 1.978 1.033) 2.873 1.277 ( -0.972 -0.921 0.998) 1.670 1.417 ( 2.857 0.769 -0.130) 2.961 1.455 ( 2.331 -0.320 0.199) 2.361 1.574 ( 1.981 4.770 0.478) 5.187 1.653 ( 3.786 1.735 -3.289) 5.307 1.761 ( 1.614 -1.458 1.064) 2.421 1.821 ( 1.015 -2.853 -1.513) 3.385 2.043 ( -0.348 0.877 -1.214) 1.538 2.113 ( 1.239 -2.191 -1.908) 3.159 2.486 ( -2.068 6.321 -2.474) 7.095 2.721 ( -0.747 -3.302 -5.453) 6.418 3.101 ( 2.360 15.028 -1.241) 15.263 3.770 ( 2.242 -14.426 5.028) 15.441 5.530 ( -0.003 5.786 3.852) 6.951 5.889 ( 3.993 -9.516 1.795) 10.475 6.419 ( 3.628 2.943 -3.645) 5.926 6.486 ( 5.842 -1.485 -3.562) 7.002 7.108 ( -0.602 1.758 -6.748) 6.999 7.173 ( -1.645 -1.108 -6.991) 7.267 8.246 ( -4.963 5.225 14.757) 16.423 8.435 ( -0.240 -1.554 3.303) 3.658 8.631 ( 0.123 3.224 0.098) 3.227 8.923 ( 1.691 -7.137 2.678) 7.809 9.659 ( 4.403 2.350 -3.322) 5.995 9.755 ( 6.025 -1.791 -4.205) 7.563 ======================= Grid point 213 (112/212) ======================= q-point: ( 0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -3.966 -1.748 -3.962) 5.872 0.793 ( -0.459 -4.797 -6.412) 8.021 1.118 ( 0.977 2.040 2.635) 3.473 1.166 ( -0.551 0.722 -1.057) 1.394 1.198 ( -1.413 -0.177 1.435) 2.022 1.258 ( -0.756 -2.432 -0.201) 2.555 1.457 ( 1.260 1.708 -1.071) 2.378 1.490 ( 1.983 0.780 0.509) 2.191 1.618 ( 1.661 5.024 1.290) 5.446 1.706 ( 3.419 1.693 -2.986) 4.845 1.779 ( -0.337 1.143 0.617) 1.342 1.820 ( 0.873 0.134 -4.045) 4.140 2.055 ( 1.326 -2.108 0.967) 2.671 2.126 ( 1.934 -3.216 -2.429) 4.471 2.459 ( -0.192 4.588 0.102) 4.593 2.677 ( 0.062 -3.949 -3.890) 5.543 3.166 ( 4.408 14.791 -0.149) 15.435 3.802 ( -0.883 -14.019 1.084) 14.088 5.566 ( 0.533 6.085 5.749) 8.388 5.964 ( 3.017 -11.157 1.220) 11.622 6.444 ( 1.990 3.932 -4.362) 6.201 6.547 ( 2.935 -1.297 -4.602) 5.610 7.036 ( -2.367 1.951 -7.048) 7.687 7.112 ( 0.062 -0.521 -6.082) 6.105 8.255 ( -4.040 5.078 15.092) 16.428 8.441 ( -2.141 -2.852 4.876) 6.041 8.650 ( 1.468 4.473 0.759) 4.769 8.959 ( 0.533 -7.495 1.749) 7.714 9.719 ( 4.258 2.941 -3.878) 6.467 9.836 ( 5.480 -2.168 -5.130) 7.814 ======================= Grid point 214 (113/212) ======================= q-point: (-0.54 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -3.497 -0.235 -4.994) 6.101 0.761 ( 1.272 -5.816 -6.122) 8.540 1.110 ( -2.756 2.172 1.402) 3.779 1.156 ( -2.990 0.327 2.678) 4.027 1.168 ( -0.139 0.237 -1.619) 1.642 1.259 ( 0.316 -3.225 0.196) 3.246 1.456 ( 1.111 2.472 -3.963) 4.801 1.542 ( 2.525 1.783 1.443) 3.411 1.643 ( 0.110 3.120 0.747) 3.210 1.724 ( 0.024 2.299 -0.447) 2.342 1.768 ( -0.190 1.040 -0.559) 1.196 1.819 ( 0.674 -1.280 -3.511) 3.797 2.073 ( 0.359 -1.735 0.331) 1.802 2.167 ( 3.448 -3.945 -1.967) 5.596 2.473 ( 1.102 3.833 1.187) 4.161 2.685 ( 2.767 -4.259 -2.166) 5.521 3.254 ( 4.205 12.219 1.728) 13.038 3.750 ( -4.326 -10.820 -2.274) 11.872 5.622 ( 1.076 6.015 6.886) 9.206 6.018 ( 1.966 -11.315 1.014) 11.529 6.445 ( 1.284 2.885 -4.928) 5.853 6.527 ( -1.066 -1.014 -6.804) 6.961 6.950 ( -2.115 4.746 -4.968) 7.189 7.093 ( 1.863 -0.427 -6.065) 6.359 8.287 ( -2.998 2.736 14.751) 15.299 8.415 ( -3.858 -3.357 5.199) 7.293 8.690 ( 1.842 4.921 1.495) 5.463 8.962 ( -1.260 -6.545 1.239) 6.779 9.765 ( 3.327 3.072 -4.081) 6.096 9.890 ( 3.809 -2.344 -5.679) 7.229 ======================= Grid point 215 (114/212) ======================= q-point: (-0.46 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -0.605 2.574 -4.709) 5.401 0.754 ( 1.526 -5.133 -5.149) 7.429 1.054 ( -3.660 0.855 0.034) 3.759 1.087 ( -4.736 -0.843 1.658) 5.088 1.157 ( -1.534 2.233 -0.067) 2.710 1.253 ( -0.568 -2.053 -0.445) 2.176 1.476 ( 3.765 0.400 -3.706) 5.299 1.595 ( 2.081 2.611 0.928) 3.466 1.628 ( -1.565 -1.084 -0.930) 2.118 1.714 ( -1.355 1.280 -0.821) 2.037 1.759 ( -1.619 -1.596 1.185) 2.563 1.787 ( -1.254 -1.023 -0.613) 1.730 2.091 ( 1.952 0.835 -1.629) 2.677 2.208 ( 1.916 -3.643 -1.498) 4.380 2.514 ( 2.451 4.371 1.007) 5.111 2.736 ( 3.575 -3.943 -2.514) 5.886 3.345 ( 3.234 7.093 4.549) 9.026 3.612 ( -7.644 -5.406 -4.632) 10.446 5.696 ( 1.858 5.553 7.405) 9.441 6.050 ( 0.447 -9.818 1.523) 9.946 6.425 ( 0.103 0.193 -5.844) 5.848 6.437 ( -2.840 -0.406 -8.059) 8.555 6.900 ( -0.436 7.809 -3.123) 8.422 7.100 ( 2.994 -0.289 -6.043) 6.750 8.311 ( -3.902 -0.734 10.205) 10.950 8.376 ( -4.115 -2.960 8.094) 9.550 8.734 ( 1.717 4.457 1.935) 5.153 8.929 ( -3.033 -4.321 1.282) 5.433 9.791 ( 2.129 2.581 -3.824) 5.081 9.905 ( 1.691 -2.266 -5.719) 6.379 ======================= Grid point 216 (115/212) ======================= q-point: (-0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 1.464 5.245 -4.040) 6.781 0.744 ( 0.046 -3.151 -2.692) 4.145 0.960 ( -6.105 -0.307 -0.420) 6.128 1.022 ( -2.957 -0.603 0.693) 3.097 1.116 ( -2.042 1.447 -0.260) 2.516 1.248 ( -0.025 -1.660 0.317) 1.690 1.527 ( 1.236 0.938 0.456) 1.617 1.557 ( -3.219 -5.204 -4.338) 7.500 1.603 ( -2.326 -1.733 -3.869) 4.835 1.681 ( 0.886 -0.110 1.491) 1.738 1.746 ( -0.865 0.265 2.143) 2.326 1.777 ( -0.687 0.645 0.958) 1.344 2.115 ( 1.752 1.313 -2.648) 3.436 2.219 ( 0.137 -2.683 -1.033) 2.878 2.573 ( 3.429 5.005 -0.706) 6.108 2.762 ( 1.007 -1.321 -4.390) 4.693 3.354 ( -8.843 2.433 -2.073) 9.403 3.498 ( 2.004 -1.897 4.176) 5.005 5.785 ( 2.274 4.631 7.698) 9.267 6.044 ( -3.151 -5.772 3.001) 7.229 6.340 ( -1.204 -1.220 -8.630) 8.799 6.369 ( -1.341 -2.157 -7.616) 8.028 6.892 ( 1.195 9.437 -2.376) 9.805 7.127 ( 3.641 -0.317 -5.176) 6.337 8.266 ( -4.457 -1.593 3.168) 5.696 8.363 ( -5.051 -4.389 12.034) 13.769 8.781 ( 1.856 3.134 1.986) 4.149 8.871 ( -4.024 -1.120 2.104) 4.677 9.797 ( 0.962 1.508 -3.218) 3.682 9.883 ( -0.188 -1.926 -5.261) 5.606 ======================= Grid point 217 (116/212) ======================= q-point: (-0.31 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 2.088 6.549 -3.543) 7.734 0.719 ( -2.592 -1.143 1.476) 3.194 0.840 ( -5.995 1.810 0.799) 6.313 0.978 ( -1.505 -1.141 -1.550) 2.443 1.091 ( -0.970 -0.950 0.904) 1.631 1.247 ( -0.948 -3.371 1.673) 3.881 1.421 ( -5.808 -3.269 -2.775) 7.219 1.508 ( -4.655 1.145 -2.670) 5.487 1.563 ( 0.298 -0.113 -0.334) 0.461 1.728 ( 1.958 -2.640 0.049) 3.287 1.745 ( -0.742 0.862 0.483) 1.236 1.777 ( 1.561 -1.066 0.996) 2.137 2.116 ( 0.298 1.220 -3.151) 3.392 2.203 ( -1.220 -1.595 -0.671) 2.118 2.594 ( -1.566 3.656 -4.660) 6.126 2.728 ( -0.202 0.954 -5.115) 5.207 3.136 ( -9.489 10.434 -2.323) 14.293 3.622 ( 4.854 -9.076 8.187) 13.152 5.867 ( 0.662 2.993 6.997) 7.639 5.959 ( -7.385 0.097 3.460) 8.156 6.284 ( -2.031 -2.996 -7.237) 8.092 6.295 ( 1.717 -3.871 -8.853) 9.813 6.903 ( 1.697 9.823 -3.001) 10.411 7.168 ( 3.746 -1.085 -3.961) 5.558 8.207 ( -2.924 -1.150 1.135) 3.341 8.329 ( -6.058 -5.109 10.594) 13.230 8.791 ( -3.537 2.529 1.927) 4.756 8.847 ( 1.099 0.540 3.168) 3.396 9.785 ( -0.430 0.210 -2.614) 2.657 9.837 ( -1.074 -1.493 -4.468) 4.831 ======================= Grid point 218 (117/212) ======================= q-point: (-0.23 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 2.831 6.974 -2.728) 8.006 0.655 ( -5.602 1.324 4.327) 7.201 0.776 ( -2.539 5.895 4.634) 7.916 0.946 ( -0.253 -2.224 -3.096) 3.821 1.063 ( -3.956 -1.864 2.748) 5.165 1.241 ( -0.202 -6.653 1.877) 6.915 1.329 ( -2.020 0.295 -2.836) 3.494 1.396 ( -5.224 0.700 -2.116) 5.680 1.552 ( -1.477 3.492 0.730) 3.862 1.705 ( -2.603 1.596 -0.392) 3.079 1.763 ( 1.494 -3.079 0.951) 3.552 1.855 ( 5.318 -3.908 -0.170) 6.601 2.079 ( -1.992 2.661 -4.360) 5.482 2.168 ( -1.965 -0.746 -0.503) 2.161 2.449 ( -8.575 4.852 -4.213) 10.715 2.662 ( -3.916 -3.729 -7.139) 8.956 3.046 ( 0.515 17.726 1.841) 17.828 3.757 ( 3.729 -13.537 7.328) 15.838 5.788 ( -8.875 3.524 0.806) 9.583 5.933 ( -1.563 -0.210 7.531) 7.694 6.194 ( -2.108 -2.692 -8.152) 8.840 6.277 ( 0.504 -3.467 -5.504) 6.525 6.919 ( 2.541 9.386 -3.672) 10.394 7.210 ( 3.247 -2.604 -3.951) 5.739 8.176 ( -1.108 -0.529 0.943) 1.549 8.287 ( -4.446 -4.376 8.513) 10.554 8.730 ( -4.033 5.120 2.839) 7.109 8.892 ( 1.206 -1.682 2.508) 3.252 9.742 ( -2.298 -0.244 -2.237) 3.216 9.794 ( -0.718 -1.781 -3.669) 4.142 ======================= Grid point 219 (118/212) ======================= q-point: (-0.15 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -1.746 6.567 2.231) 7.152 0.617 ( 1.695 5.794 2.597) 6.572 0.787 ( -0.961 6.364 7.656) 10.002 0.916 ( -2.322 -1.830 -1.444) 3.290 1.004 ( -1.727 -0.380 1.049) 2.056 1.261 ( 0.439 -4.678 0.141) 4.701 1.287 ( -1.350 0.548 -2.592) 2.973 1.305 ( -3.038 -1.584 1.503) 3.742 1.529 ( -1.310 4.775 1.259) 5.109 1.650 ( -2.505 2.187 -0.677) 3.394 1.793 ( 0.037 0.035 0.758) 0.760 1.944 ( 2.637 -4.342 -3.870) 6.386 2.001 ( -0.622 5.139 -0.967) 5.266 2.128 ( -1.833 -0.204 -0.337) 1.875 2.292 ( -5.896 2.558 0.886) 6.487 2.528 ( -4.543 -5.173 -5.348) 8.718 3.119 ( 4.406 16.845 1.678) 17.493 3.839 ( 0.419 -14.615 4.582) 15.322 5.632 ( -7.622 5.236 0.896) 9.291 5.927 ( -3.113 -6.335 3.929) 8.079 6.104 ( -2.406 1.865 -5.378) 6.180 6.234 ( -1.645 -2.116 -4.109) 4.906 6.961 ( 4.395 7.495 -3.212) 9.263 7.235 ( 2.429 -3.580 -5.166) 6.739 8.170 ( -1.295 0.214 3.435) 3.677 8.281 ( -0.595 -3.827 4.562) 5.985 8.684 ( -2.730 6.770 3.299) 8.011 8.917 ( -0.084 -3.179 1.726) 3.618 9.680 ( -2.843 0.163 -1.540) 3.238 9.754 ( -1.239 -2.443 -3.549) 4.483 ======================= Grid point 220 (119/212) ======================= q-point: (-0.08 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.014 6.655 6.572) 9.353 0.688 ( 4.238 6.620 0.863) 7.907 0.816 ( -1.114 6.820 5.501) 8.833 0.848 ( -3.912 -1.287 3.228) 5.233 1.029 ( 3.357 0.408 -0.885) 3.496 1.215 ( -3.204 1.997 -0.575) 3.819 1.273 ( 0.763 -2.437 -2.022) 3.257 1.300 ( -0.459 -6.453 2.611) 6.977 1.523 ( -0.509 4.879 0.839) 4.977 1.619 ( -0.376 2.984 1.740) 3.475 1.726 ( -4.898 7.044 -2.841) 9.037 1.945 ( 2.242 -2.289 -2.191) 3.882 2.052 ( 1.228 0.305 1.836) 2.230 2.103 ( -0.672 0.365 0.297) 0.821 2.235 ( -1.947 0.430 3.456) 3.990 2.474 ( 2.356 -6.858 -1.617) 7.429 3.203 ( 3.075 14.077 1.564) 14.493 3.822 ( -4.167 -12.891 0.846) 13.574 5.528 ( -4.173 5.755 1.908) 7.360 5.858 ( -5.096 -8.512 -1.166) 9.989 6.062 ( 0.835 3.977 -1.546) 4.348 6.178 ( -1.156 -0.976 -3.446) 3.764 7.041 ( 5.614 4.493 -2.184) 7.514 7.235 ( 1.286 -2.651 -5.743) 6.455 8.166 ( -2.174 1.039 5.660) 6.151 8.314 ( 1.812 -4.457 0.923) 4.899 8.675 ( -0.518 6.756 3.678) 7.710 8.909 ( -1.671 -3.390 0.746) 3.852 9.620 ( -2.550 0.541 -0.886) 2.753 9.700 ( -2.048 -2.232 -3.334) 4.504 ======================= Grid point 221 (120/212) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -0.082 -3.981 7.009) 8.061 0.759 ( -0.082 3.981 7.009) 8.061 0.910 ( 3.604 -2.971 -0.698) 4.722 0.910 ( 3.604 2.971 -0.698) 4.722 1.144 ( 0.188 -6.359 2.487) 6.831 1.144 ( 0.188 6.359 2.487) 6.831 1.216 ( 0.274 -3.162 -2.210) 3.868 1.216 ( 0.274 3.162 -2.210) 3.868 1.601 ( -0.371 -4.030 -1.895) 4.469 1.601 ( -0.371 4.030 -1.895) 4.469 1.808 ( -1.900 -7.188 -2.409) 7.816 1.808 ( -1.900 7.188 -2.409) 7.816 2.093 ( -0.757 -0.907 1.087) 1.606 2.093 ( -0.757 0.907 1.087) 1.606 2.420 ( 7.455 -7.912 4.046) 11.599 2.420 ( 7.455 7.912 4.046) 11.599 3.479 ( -4.000 -10.942 1.348) 11.728 3.479 ( -4.000 10.942 1.348) 11.728 5.625 ( -2.001 -6.155 0.895) 6.534 5.625 ( -2.001 6.155 0.895) 6.534 6.134 ( 2.550 -1.400 -4.076) 5.007 6.134 ( 2.550 1.400 -4.076) 5.007 7.185 ( 2.971 -2.485 -2.891) 4.833 7.185 ( 2.971 2.485 -2.891) 4.833 8.238 ( 0.034 -4.750 3.221) 5.739 8.238 ( 0.034 4.750 3.221) 5.739 8.799 ( -1.488 -3.861 1.767) 4.499 8.799 ( -1.488 3.861 1.767) 4.499 9.605 ( -1.320 -1.833 -2.088) 3.076 9.605 ( -1.320 1.833 -2.088) 3.076 ======================= Grid point 223 (121/212) ======================= q-point: ( 0.08 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.420 -2.847 5.751) 6.431 0.805 ( 0.420 2.847 5.751) 6.431 0.979 ( 2.996 -4.556 1.693) 5.710 0.979 ( 2.996 4.556 1.693) 5.710 1.158 ( 1.681 -5.112 -0.542) 5.408 1.158 ( 1.681 5.112 -0.542) 5.408 1.243 ( 2.420 -2.635 0.234) 3.586 1.243 ( 2.420 2.635 0.234) 3.586 1.582 ( 0.357 -5.210 -3.215) 6.133 1.582 ( 0.357 5.210 -3.215) 6.133 1.766 ( -1.617 -5.498 -0.610) 5.764 1.766 ( -1.617 5.498 -0.610) 5.764 2.085 ( -0.545 -0.828 0.831) 1.293 2.085 ( -0.545 0.828 0.831) 1.293 2.595 ( 8.138 -7.092 1.173) 10.858 2.595 ( 8.138 7.092 1.173) 10.858 3.402 ( -4.794 -5.025 2.206) 7.286 3.402 ( -4.794 5.025 2.206) 7.286 5.609 ( -0.485 -1.821 1.112) 2.188 5.609 ( -0.485 1.821 1.112) 2.188 6.181 ( 5.352 -0.802 -5.109) 7.442 6.181 ( 5.352 0.802 -5.109) 7.442 7.220 ( 2.358 -0.461 -2.620) 3.555 7.220 ( 2.358 0.461 -2.620) 3.555 8.264 ( 0.306 -5.083 4.037) 6.498 8.264 ( 0.306 5.083 4.037) 6.498 8.778 ( -1.801 -1.096 1.450) 2.559 8.778 ( -1.801 1.096 1.450) 2.559 9.580 ( 0.226 -1.439 -2.062) 2.525 9.580 ( 0.226 1.439 -2.062) 2.525 ======================= Grid point 225 (122/212) ======================= q-point: ( 0.15 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.032 -2.061 3.309) 3.898 0.840 ( 0.032 2.061 3.309) 3.898 1.034 ( 1.988 -4.409 1.033) 4.945 1.034 ( 1.988 4.409 1.033) 4.945 1.223 ( 4.934 -2.319 0.123) 5.454 1.223 ( 4.934 2.319 0.123) 5.454 1.285 ( 1.482 -1.591 1.050) 2.415 1.285 ( 1.482 1.591 1.050) 2.415 1.582 ( 1.978 -5.346 -3.457) 6.667 1.582 ( 1.978 5.346 -3.457) 6.667 1.737 ( -1.369 -3.107 0.464) 3.427 1.737 ( -1.369 3.107 0.464) 3.427 2.083 ( -0.048 -0.938 0.136) 0.949 2.083 ( -0.048 0.938 0.136) 0.949 2.704 ( 3.767 -4.079 -3.913) 6.793 2.704 ( 3.767 4.079 -3.913) 6.793 3.353 ( -2.041 -5.880 4.385) 7.614 3.353 ( -2.041 5.880 4.385) 7.614 5.619 ( 0.622 -3.036 1.321) 3.369 5.619 ( 0.622 3.036 1.321) 3.369 6.264 ( 6.734 -1.693 -4.744) 8.409 6.264 ( 6.734 1.693 -4.744) 8.409 7.232 ( 1.075 -1.383 -4.054) 4.417 7.232 ( 1.075 1.383 -4.054) 4.417 8.301 ( 0.011 -4.864 6.057) 7.768 8.301 ( 0.011 4.864 6.057) 7.768 8.754 ( -1.470 -2.704 1.234) 3.316 8.754 ( -1.470 2.704 1.234) 3.316 9.591 ( 2.435 -1.391 -2.451) 3.724 9.591 ( 2.435 1.391 -2.451) 3.724 ======================= Grid point 227 (123/212) ======================= q-point: ( 0.23 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -0.836 -1.647 -0.540) 1.925 0.843 ( -0.836 1.647 -0.540) 1.925 1.075 ( 1.925 -3.540 0.669) 4.084 1.075 ( 1.925 3.540 0.669) 4.084 1.280 ( -0.908 -1.054 2.615) 2.962 1.280 ( -0.908 1.054 2.615) 2.962 1.348 ( 5.571 -2.987 -0.864) 6.381 1.348 ( 5.571 2.987 -0.864) 6.381 1.612 ( 3.354 -2.819 -2.873) 5.240 1.612 ( 3.354 2.819 -2.873) 5.240 1.726 ( -0.195 -3.162 1.335) 3.438 1.726 ( -0.195 3.162 1.335) 3.438 2.082 ( 0.111 -1.202 -0.829) 1.464 2.082 ( 0.111 1.202 -0.829) 1.464 2.691 ( -1.017 -4.849 -6.083) 7.846 2.691 ( -1.017 4.849 -6.083) 7.846 3.380 ( 1.379 -13.506 4.246) 14.224 3.380 ( 1.379 13.506 4.246) 14.224 5.647 ( 1.279 -6.752 1.701) 7.080 5.647 ( 1.279 6.752 1.701) 7.080 6.367 ( 6.761 -1.296 -3.548) 7.744 6.367 ( 6.761 1.296 -3.548) 7.744 7.205 ( -0.498 -1.931 -6.044) 6.365 7.205 ( -0.498 1.931 -6.044) 6.365 8.337 ( -1.343 -4.705 8.571) 9.869 8.337 ( -1.343 4.705 8.571) 9.869 8.744 ( -0.130 -5.774 0.808) 5.832 8.744 ( -0.130 5.774 0.808) 5.832 9.639 ( 4.438 -1.794 -3.180) 5.747 9.639 ( 4.438 1.794 -3.180) 5.747 ======================= Grid point 229 (124/212) ======================= q-point: ( 0.31 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -2.263 -1.380 -3.542) 4.424 0.800 ( -2.263 1.380 -3.542) 4.424 1.117 ( 2.134 -2.815 0.548) 3.575 1.117 ( 2.134 2.815 0.548) 3.575 1.257 ( -2.518 -1.256 1.362) 3.126 1.257 ( -2.518 1.256 1.362) 3.126 1.435 ( 3.713 -1.118 -0.306) 3.889 1.435 ( 3.713 1.118 -0.306) 3.889 1.666 ( 3.459 -1.822 -1.173) 4.081 1.666 ( 3.459 1.822 -1.173) 4.081 1.749 ( 1.778 -2.526 0.827) 3.198 1.749 ( 1.778 2.526 0.827) 3.198 2.075 ( 0.037 -1.696 -1.725) 2.419 2.075 ( 0.037 1.696 -1.725) 2.419 2.621 ( -2.095 -5.905 -4.573) 7.757 2.621 ( -2.095 5.905 -4.573) 7.757 3.439 ( 2.345 -16.299 2.075) 16.597 3.439 ( 2.345 16.299 2.075) 16.597 5.687 ( 1.587 -8.900 2.363) 9.344 5.687 ( 1.587 8.900 2.363) 9.344 6.462 ( 5.245 -1.234 -3.237) 6.286 6.462 ( 5.245 1.234 -3.237) 6.286 7.144 ( -1.260 -1.602 -6.876) 7.172 7.144 ( -1.260 1.602 -6.876) 7.172 8.356 ( -3.019 -4.955 10.344) 11.861 8.356 ( -3.019 4.955 10.344) 11.861 8.760 ( 1.225 -7.737 0.455) 7.846 8.760 ( 1.225 7.737 0.455) 7.846 9.710 ( 5.381 -2.393 -4.020) 7.130 9.710 ( 5.381 2.393 -4.020) 7.130 ======================= Grid point 231 (125/212) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -2.610 -1.690 -5.029) 5.912 0.722 ( -2.610 1.690 -5.029) 5.912 1.158 ( 1.729 -1.689 0.093) 2.419 1.158 ( 1.729 1.689 0.093) 2.419 1.211 ( -2.817 -1.711 0.947) 3.429 1.211 ( -2.817 1.711 0.947) 3.429 1.488 ( 2.410 -0.945 -0.417) 2.622 1.488 ( 2.410 0.945 -0.417) 2.622 1.712 ( 1.158 -2.622 1.302) 3.149 1.712 ( 1.158 2.622 1.302) 3.149 1.787 ( 1.744 -1.028 -1.643) 2.607 1.787 ( 1.744 1.028 -1.643) 2.607 2.069 ( 0.975 -2.168 -2.041) 3.134 2.069 ( 0.975 2.168 -2.041) 3.134 2.572 ( -0.542 -5.651 -2.147) 6.069 2.572 ( -0.542 5.651 -2.147) 6.069 3.487 ( 1.835 -15.314 0.431) 15.429 3.487 ( 1.835 15.314 0.431) 15.429 5.736 ( 1.697 -9.790 3.082) 10.403 5.736 ( 1.697 9.790 3.082) 10.403 6.511 ( 2.493 -2.342 -4.574) 5.712 6.511 ( 2.493 2.342 -4.574) 5.712 7.081 ( -0.700 -2.087 -5.997) 6.389 7.081 ( -0.700 2.087 -5.997) 6.389 8.358 ( -3.934 -4.560 10.801) 12.366 8.358 ( -3.934 4.560 10.801) 12.366 8.790 ( 1.430 -7.988 0.628) 8.140 8.790 ( 1.430 7.988 0.628) 8.140 9.782 ( 4.982 -2.879 -4.738) 7.453 9.782 ( 4.982 2.879 -4.738) 7.453 ======================= Grid point 233 (126/212) ======================= q-point: (-0.54 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -0.564 -3.703 -5.346) 6.528 0.655 ( -0.564 3.703 -5.346) 6.528 1.139 ( -3.523 -1.179 0.443) 3.741 1.139 ( -3.523 1.179 0.443) 3.741 1.203 ( 0.892 -2.184 0.473) 2.406 1.203 ( 0.892 2.184 0.473) 2.406 1.524 ( 1.821 -2.926 -1.265) 3.672 1.524 ( 1.821 2.926 -1.265) 3.672 1.721 ( -1.466 -3.774 1.187) 4.219 1.721 ( -1.466 3.774 1.187) 4.219 1.781 ( -0.624 -1.861 -1.330) 2.371 1.781 ( -0.624 1.861 -1.330) 2.371 2.094 ( 2.923 -2.710 -2.124) 4.517 2.094 ( 2.923 2.710 -2.124) 4.517 2.576 ( 1.850 -5.588 -0.667) 5.924 2.576 ( 1.850 5.588 -0.667) 5.924 3.509 ( 0.203 -11.771 -0.158) 11.774 3.509 ( 0.203 11.771 -0.158) 11.774 5.790 ( 1.761 -9.713 3.597) 10.506 5.790 ( 1.761 9.713 3.597) 10.506 6.496 ( -0.221 -1.949 -6.308) 6.606 6.496 ( -0.221 1.949 -6.308) 6.606 7.046 ( 0.612 -3.760 -4.624) 5.992 7.046 ( 0.612 3.760 -4.624) 5.992 8.347 ( -4.366 -3.007 10.237) 11.528 8.347 ( -4.366 3.007 10.237) 11.528 8.817 ( 0.698 -6.806 1.249) 6.955 8.817 ( 0.698 6.806 1.249) 6.955 9.831 ( 3.589 -3.062 -5.128) 6.968 9.831 ( 3.589 3.062 -5.128) 6.968 ======================= Grid point 235 (127/212) ======================= q-point: (-0.46 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 1.849 -5.458 -4.842) 7.527 0.637 ( 1.849 5.458 -4.842) 7.527 1.063 ( -4.732 -0.794 0.526) 4.826 1.063 ( -4.732 0.794 0.526) 4.826 1.214 ( -0.348 -2.063 0.722) 2.213 1.214 ( -0.348 2.063 0.722) 2.213 1.531 ( 0.312 -4.580 -3.702) 5.897 1.531 ( 0.312 4.580 -3.702) 5.897 1.678 ( -2.505 -2.829 0.462) 3.807 1.678 ( -2.505 2.829 0.462) 3.807 1.772 ( -0.693 -1.734 1.584) 2.449 1.772 ( -0.693 1.734 1.584) 2.449 2.136 ( 2.677 -2.989 -2.328) 4.639 2.136 ( 2.677 2.989 -2.328) 4.639 2.626 ( 3.684 -5.872 -0.933) 6.995 2.626 ( 3.684 5.872 -0.933) 6.995 3.489 ( -2.300 -6.313 0.133) 6.721 3.489 ( -2.300 6.313 0.133) 6.721 5.848 ( 1.792 -8.721 4.128) 9.814 5.848 ( 1.792 8.721 4.128) 9.814 6.430 ( -1.920 -0.298 -7.339) 7.591 6.430 ( -1.920 0.298 -7.339) 7.591 7.043 ( 1.843 -5.100 -3.958) 6.713 7.043 ( 1.843 5.100 -3.958) 6.713 8.323 ( -4.862 -1.753 9.036) 10.409 8.323 ( -4.862 1.753 9.036) 10.409 8.832 ( -0.220 -4.696 2.050) 5.129 8.832 ( -0.220 4.696 2.050) 5.129 9.850 ( 1.830 -2.825 -5.054) 6.072 9.850 ( 1.830 2.825 -5.054) 6.072 ======================= Grid point 237 (128/212) ======================= q-point: (-0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 2.064 -5.518 -3.740) 6.978 0.650 ( 2.064 5.518 -3.740) 6.978 0.974 ( -4.753 -1.933 0.459) 5.151 0.974 ( -4.753 1.933 0.459) 5.151 1.197 ( -2.130 -3.711 1.194) 4.442 1.197 ( -2.130 3.711 1.194) 4.442 1.491 ( -1.209 -0.263 -4.606) 4.770 1.491 ( -1.209 0.263 -4.606) 4.770 1.652 ( -0.847 -2.733 0.681) 2.941 1.652 ( -0.847 2.733 0.681) 2.941 1.767 ( -1.093 -1.237 2.078) 2.654 1.767 ( -1.093 1.237 2.078) 2.654 2.160 ( 1.371 -2.710 -2.175) 3.736 2.160 ( 1.371 2.710 -2.175) 3.736 2.684 ( 3.268 -5.164 -3.106) 6.855 2.684 ( 3.268 5.164 -3.106) 6.855 3.432 ( -3.844 -4.055 1.659) 5.828 3.432 ( -3.844 4.055 1.659) 5.828 5.906 ( 0.943 -6.600 5.185) 8.446 5.906 ( 0.943 6.600 5.185) 8.446 6.338 ( -2.317 -0.847 -8.402) 8.757 6.338 ( -2.317 0.847 -8.402) 8.757 7.061 ( 2.563 -5.945 -3.823) 7.519 7.061 ( 2.563 5.945 -3.823) 7.519 8.281 ( -5.185 -2.808 7.649) 9.658 8.281 ( -5.185 2.808 7.649) 9.658 8.836 ( -0.832 -2.119 2.705) 3.536 8.836 ( -0.832 2.119 2.705) 3.536 9.838 ( 0.239 -2.172 -4.547) 5.045 9.838 ( 0.239 2.172 -4.547) 5.045 ======================= Grid point 239 (129/212) ======================= q-point: (-0.31 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.768 -4.345 -1.786) 4.760 0.658 ( 0.768 4.345 -1.786) 4.760 0.904 ( -2.861 -4.093 0.698) 5.042 0.904 ( -2.861 4.093 0.698) 5.042 1.151 ( -3.308 -4.851 1.306) 6.015 1.151 ( -3.308 4.851 1.306) 6.015 1.437 ( -1.849 -3.854 -3.589) 5.582 1.437 ( -1.849 3.854 -3.589) 5.582 1.650 ( 0.142 -4.826 0.753) 4.886 1.650 ( 0.142 4.826 0.753) 4.886 1.758 ( -0.835 -0.557 1.078) 1.473 1.758 ( -0.835 0.557 1.078) 1.473 2.159 ( 0.012 -2.359 -1.935) 3.051 2.159 ( 0.012 2.359 -1.935) 3.051 2.680 ( -1.232 -4.017 -6.126) 7.428 2.680 ( -1.232 4.017 -6.126) 7.428 3.393 ( -1.699 -12.248 4.260) 13.079 3.393 ( -1.699 12.248 4.260) 13.079 5.933 ( -2.530 -2.645 5.808) 6.865 5.933 ( -2.530 2.645 5.808) 6.865 6.250 ( -0.650 -0.411 -8.828) 8.861 6.250 ( -0.650 0.411 -8.828) 8.861 7.084 ( 2.561 -6.738 -4.219) 8.352 7.084 ( 2.561 6.738 -4.219) 8.352 8.233 ( -4.480 -3.381 6.575) 8.645 8.233 ( -4.480 3.381 6.575) 8.645 8.836 ( -1.162 -1.526 2.947) 3.516 8.836 ( -1.162 1.526 2.947) 3.516 9.804 ( -0.906 -1.440 -3.835) 4.196 9.804 ( -0.906 1.440 -3.835) 4.196 ======================= Grid point 241 (130/212) ======================= q-point: (-0.23 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 0.485 -1.883 0.858) 2.125 0.665 ( 0.485 1.883 0.858) 2.125 0.871 ( -1.392 -4.112 0.561) 4.377 0.871 ( -1.392 4.112 0.561) 4.377 1.105 ( -2.151 -5.201 1.850) 5.925 1.105 ( -2.151 5.201 1.850) 5.925 1.372 ( -2.762 -2.540 -2.653) 4.595 1.372 ( -2.762 2.540 -2.653) 4.595 1.655 ( -0.775 -5.409 1.001) 5.555 1.655 ( -0.775 5.409 1.001) 5.555 1.767 ( 1.896 -3.378 0.254) 3.882 1.767 ( 1.896 3.378 0.254) 3.882 2.136 ( -1.103 -2.293 -1.936) 3.197 2.136 ( -1.103 2.293 -1.936) 3.197 2.562 ( -6.298 -5.375 -6.364) 10.443 2.562 ( -6.298 5.375 -6.364) 10.443 3.426 ( 1.536 -17.356 5.112) 18.159 3.426 ( 1.536 17.356 5.112) 18.159 5.876 ( -6.179 -4.343 3.269) 8.230 5.876 ( -6.179 4.343 3.269) 8.230 6.205 ( 0.508 -2.873 -5.905) 6.586 6.205 ( 0.508 2.873 -5.905) 6.586 7.102 ( 2.481 -7.379 -4.933) 9.216 7.102 ( 2.481 7.379 -4.933) 9.216 8.204 ( -2.671 -3.000 5.766) 7.027 8.204 ( -2.671 3.000 5.766) 7.027 8.830 ( -1.367 -4.068 2.823) 5.137 8.830 ( -1.367 4.068 2.823) 5.137 9.757 ( -1.585 -1.470 -3.186) 3.850 9.757 ( -1.585 1.470 -3.186) 3.850 ======================= Grid point 243 (131/212) ======================= q-point: (-0.15 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 0.248 -1.719 4.077) 4.431 0.689 ( 0.248 1.719 4.077) 4.431 0.853 ( -0.082 -3.516 -1.352) 3.768 0.853 ( -0.082 3.516 -1.352) 3.768 1.100 ( -0.179 -7.638 2.463) 8.027 1.100 ( -0.179 7.638 2.463) 8.027 1.305 ( -2.765 -0.291 -1.508) 3.163 1.305 ( -2.765 0.291 -1.508) 3.163 1.635 ( -1.321 -4.171 0.222) 4.381 1.635 ( -1.321 4.171 0.222) 4.381 1.827 ( 3.518 -4.698 0.019) 5.870 1.827 ( 3.518 4.698 0.019) 5.870 2.099 ( -1.316 -2.908 -1.662) 3.599 2.099 ( -1.316 2.908 -1.662) 3.599 2.400 ( -6.564 -6.456 -2.975) 9.675 2.400 ( -6.564 6.456 -2.975) 9.675 3.490 ( 1.572 -17.663 3.921) 18.161 3.490 ( 1.572 17.663 3.921) 18.161 5.768 ( -6.105 -7.437 1.152) 9.690 5.768 ( -6.105 7.437 1.152) 9.690 6.174 ( -0.822 -3.484 -3.398) 4.936 6.174 ( -0.822 3.484 -3.398) 4.936 7.120 ( 2.949 -6.973 -5.046) 9.099 7.120 ( 2.949 6.973 -5.046) 9.099 8.204 ( -1.042 -2.912 4.724) 5.647 8.204 ( -1.042 2.912 4.724) 5.647 8.821 ( -1.386 -5.787 2.567) 6.481 8.821 ( -1.386 5.787 2.567) 6.481 9.705 ( -1.922 -2.002 -2.715) 3.882 9.705 ( -1.922 2.002 -2.715) 3.882 ======================= Grid point 245 (132/212) ======================= q-point: (-0.08 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -0.589 -4.271 6.985) 8.208 0.721 ( -0.589 4.271 6.985) 8.208 0.862 ( 2.556 -3.993 -2.887) 5.551 0.862 ( 2.556 3.993 -2.887) 5.551 1.119 ( 0.457 -7.879 2.341) 8.232 1.119 ( 0.457 7.879 2.341) 8.232 1.251 ( -2.154 -1.529 -1.176) 2.892 1.251 ( -2.154 1.529 -1.176) 2.892 1.617 ( -0.605 -3.018 -0.444) 3.110 1.617 ( -0.605 3.018 -0.444) 3.110 1.855 ( -0.259 -5.341 -2.864) 6.065 1.855 ( -0.259 5.341 -2.864) 6.065 2.088 ( 0.506 -1.938 0.703) 2.123 2.088 ( 0.506 1.938 0.703) 2.123 2.321 ( -0.343 -6.814 1.984) 7.105 2.321 ( -0.343 6.814 1.984) 7.105 3.517 ( -1.047 -15.205 2.242) 15.405 3.517 ( -1.047 15.205 2.242) 15.405 5.676 ( -4.077 -8.132 0.733) 9.126 5.676 ( -4.077 8.132 0.733) 9.126 6.138 ( -0.380 -2.848 -3.032) 4.177 6.138 ( -0.380 2.848 -3.032) 4.177 7.149 ( 3.224 -5.120 -4.148) 7.336 7.149 ( 3.224 5.120 -4.148) 7.336 8.219 ( -0.323 -3.830 3.614) 5.276 8.219 ( -0.323 3.830 3.614) 5.276 8.812 ( -1.301 -5.728 2.217) 6.279 8.812 ( -1.301 5.728 2.217) 6.279 9.651 ( -1.933 -2.155 -2.360) 3.735 9.651 ( -1.933 2.155 -2.360) 3.735 ======================= Grid point 273 (133/212) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 4.388 0.000 2.432) 5.017 0.595 ( -0.755 0.000 1.612) 1.780 0.818 ( 3.823 0.000 7.181) 8.135 1.022 ( 2.446 0.000 -1.800) 3.037 1.094 ( -0.281 0.000 0.871) 0.915 1.190 ( -2.830 0.000 -3.770) 4.714 1.255 ( -1.441 0.000 6.911) 7.060 1.404 ( -2.014 0.000 -1.442) 2.477 1.547 ( 0.547 0.000 6.285) 6.308 1.562 ( -0.702 0.000 2.107) 2.221 1.856 ( 6.772 0.000 7.989) 10.473 2.009 ( 1.050 0.000 -0.181) 1.065 2.036 ( -2.841 0.000 1.412) 3.173 2.070 ( 0.922 0.000 -0.075) 0.925 2.299 ( 0.332 0.000 1.905) 1.934 2.547 ( 0.379 0.000 -8.198) 8.207 3.209 ( 16.499 0.000 10.454) 19.532 3.702 ( -15.468 0.000 -11.330) 19.173 5.505 ( 3.021 0.000 4.845) 5.710 5.668 ( -7.449 0.000 -3.759) 8.344 6.095 ( 2.241 0.000 -0.043) 2.241 6.176 ( 1.332 0.000 -1.940) 2.354 7.083 ( 6.016 0.000 -2.041) 6.353 7.102 ( -2.279 0.000 -2.846) 3.646 8.283 ( -3.365 0.000 2.090) 3.961 8.339 ( 6.116 0.000 -2.831) 6.739 8.751 ( 4.862 0.000 6.073) 7.780 8.873 ( -6.984 0.000 -0.779) 7.028 9.606 ( -0.770 0.000 -0.308) 0.830 9.614 ( -2.168 0.000 -1.084) 2.424 ======================= Grid point 274 (134/212) ======================= q-point: ( 0.08 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 5.347 0.000 -1.129) 5.465 0.665 ( 7.354 0.000 0.716) 7.389 0.929 ( 3.535 0.000 4.405) 5.648 1.058 ( 3.193 0.000 -5.767) 6.592 1.111 ( -2.569 0.000 -1.032) 2.768 1.122 ( 1.710 0.000 2.303) 2.868 1.293 ( 1.105 0.000 6.289) 6.386 1.363 ( -1.660 0.000 -0.431) 1.715 1.564 ( -0.452 0.000 2.045) 2.094 1.584 ( 0.477 0.000 2.144) 2.196 1.932 ( -3.695 0.000 1.115) 3.859 1.996 ( -0.825 0.000 -2.108) 2.264 2.039 ( 3.713 0.000 2.883) 4.701 2.103 ( 1.215 0.000 -0.157) 1.225 2.345 ( 2.182 0.000 3.896) 4.466 2.457 ( -3.867 0.000 -8.871) 9.678 3.329 ( -14.661 0.000 -13.546) 19.961 3.593 ( 15.661 0.000 12.521) 20.051 5.533 ( -4.680 0.000 -1.510) 4.918 5.636 ( 6.831 0.000 5.974) 9.075 6.172 ( 5.998 0.000 -0.873) 6.062 6.192 ( 2.237 0.000 -4.050) 4.626 7.043 ( -1.916 0.000 -3.250) 3.772 7.157 ( 3.702 0.000 -3.016) 4.775 8.254 ( -0.720 0.000 0.883) 1.139 8.436 ( 6.279 0.000 -3.275) 7.082 8.713 ( -9.217 0.000 -0.622) 9.238 8.886 ( 4.965 0.000 6.330) 8.044 9.577 ( -1.558 0.000 0.592) 1.667 9.599 ( 0.120 0.000 0.379) 0.397 ======================= Grid point 275 (135/212) ======================= q-point: ( 0.15 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 6.582 0.000 -4.839) 8.169 0.812 ( 7.600 0.000 -0.035) 7.600 1.003 ( 2.284 0.000 2.747) 3.573 1.017 ( -0.988 0.000 -5.304) 5.395 1.148 ( 4.411 0.000 -0.246) 4.418 1.173 ( 1.832 0.000 2.363) 2.990 1.334 ( -1.484 0.000 0.289) 1.512 1.366 ( 2.485 0.000 3.549) 4.332 1.572 ( -0.101 0.000 1.707) 1.710 1.594 ( -0.237 0.000 0.686) 0.726 1.844 ( -5.081 0.000 0.393) 5.096 1.957 ( -0.923 0.000 -5.780) 5.853 2.064 ( -4.617 0.000 -3.856) 6.016 2.121 ( 3.485 0.000 0.469) 3.517 2.340 ( -2.163 0.000 -3.215) 3.875 2.416 ( 3.217 0.000 1.672) 3.626 3.007 ( -10.172 0.000 -12.608) 16.200 3.933 ( 11.533 0.000 11.743) 16.459 5.478 ( -1.238 0.000 1.795) 2.181 5.822 ( 8.607 0.000 5.368) 10.143 6.204 ( 1.890 0.000 -4.653) 5.022 6.295 ( 7.582 0.000 -2.112) 7.871 6.986 ( -1.434 0.000 -4.979) 5.182 7.188 ( 1.548 0.000 -2.741) 3.148 8.263 ( 1.752 0.000 -1.894) 2.580 8.533 ( 5.804 0.000 -2.377) 6.272 8.534 ( -9.799 0.000 2.661) 10.153 9.009 ( 4.095 0.000 4.944) 6.420 9.562 ( -0.670 0.000 1.242) 1.411 9.617 ( 1.624 0.000 0.386) 1.669 ======================= Grid point 276 (136/212) ======================= q-point: ( 0.23 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 4.360 0.000 -8.380) 9.446 0.921 ( 3.245 0.000 -0.894) 3.366 0.996 ( 1.497 0.000 -2.263) 2.713 1.072 ( 3.935 0.000 2.055) 4.439 1.211 ( 1.370 0.000 -0.536) 1.471 1.227 ( 2.732 0.000 1.007) 2.911 1.314 ( -0.139 0.000 -0.172) 0.221 1.395 ( -1.002 0.000 -1.250) 1.602 1.575 ( -0.130 0.000 0.725) 0.737 1.590 ( -0.426 0.000 0.614) 0.747 1.759 ( -3.957 0.000 0.133) 3.959 1.836 ( -6.568 0.000 -6.663) 9.356 2.008 ( 3.082 0.000 -2.705) 4.101 2.180 ( 2.948 0.000 -0.586) 3.006 2.340 ( 1.148 0.000 2.585) 2.829 2.487 ( 4.380 0.000 -1.654) 4.682 2.788 ( -5.579 0.000 -9.594) 11.098 4.159 ( 5.398 0.000 7.888) 9.558 5.503 ( 1.108 0.000 5.605) 5.713 6.012 ( 8.230 0.000 3.267) 8.854 6.206 ( 1.416 0.000 -4.111) 4.348 6.414 ( 6.480 0.000 -3.098) 7.183 6.926 ( -0.617 0.000 -7.393) 7.419 7.176 ( -1.336 0.000 -2.330) 2.686 8.263 ( 0.238 0.000 -7.152) 7.156 8.430 ( -4.022 0.000 10.557) 11.297 8.616 ( 3.848 0.000 -0.767) 3.924 9.100 ( 2.997 0.000 2.562) 3.943 9.566 ( 0.206 0.000 1.189) 1.207 9.664 ( 3.187 0.000 -0.475) 3.222 ======================= Grid point 277 (137/212) ======================= q-point: ( 0.31 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 2.784 0.000 -9.037) 9.456 0.903 ( -3.587 0.000 -3.209) 4.813 1.022 ( 1.066 0.000 0.368) 1.128 1.169 ( 4.436 0.000 1.309) 4.625 1.218 ( 2.831 0.000 -8.294) 8.764 1.234 ( -1.873 0.000 1.417) 2.349 1.348 ( 2.924 0.000 -0.069) 2.925 1.352 ( -1.444 0.000 2.017) 2.481 1.592 ( 0.379 0.000 0.194) 0.425 1.604 ( 2.024 0.000 2.672) 3.352 1.682 ( -6.114 0.000 -4.088) 7.355 1.703 ( -1.933 0.000 0.065) 1.934 2.111 ( 7.869 0.000 -0.627) 7.894 2.230 ( 2.965 0.000 -1.142) 3.177 2.390 ( 1.043 0.000 4.793) 4.905 2.560 ( 5.217 0.000 -4.022) 6.587 2.677 ( -0.652 0.000 -5.316) 5.356 4.229 ( -1.434 0.000 2.045) 2.498 5.580 ( 1.649 0.000 9.317) 9.462 6.163 ( 6.284 0.000 0.567) 6.310 6.212 ( 1.950 0.000 -3.069) 3.636 6.487 ( 3.387 0.000 -4.003) 5.244 6.872 ( 0.714 0.000 -9.469) 9.496 7.096 ( -5.541 0.000 -2.643) 6.139 8.224 ( 0.518 0.000 -2.225) 2.284 8.492 ( 1.961 0.000 10.281) 10.466 8.658 ( 0.460 0.000 0.564) 0.728 9.156 ( 1.873 0.000 0.243) 1.888 9.584 ( 1.034 0.000 0.831) 1.326 9.725 ( 4.004 0.000 -2.211) 4.574 ======================= Grid point 278 (138/212) ======================= q-point: ( 0.38 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -5.781 0.000 -3.356) 6.684 0.805 ( 1.884 0.000 -8.366) 8.575 1.019 ( -2.695 0.000 2.930) 3.981 1.213 ( -0.660 0.000 0.679) 0.947 1.213 ( 1.262 0.000 -4.803) 4.966 1.252 ( 4.607 0.000 -2.923) 5.456 1.385 ( 2.017 0.000 3.848) 4.344 1.396 ( 1.643 0.000 1.392) 2.154 1.554 ( -3.843 0.000 -4.175) 5.674 1.602 ( 1.375 0.000 -2.923) 3.230 1.672 ( 2.609 0.000 2.835) 3.853 1.692 ( 0.370 0.000 1.298) 1.350 2.251 ( 5.538 0.000 1.303) 5.690 2.277 ( 2.864 0.000 -1.307) 3.148 2.415 ( -1.643 0.000 4.020) 4.343 2.627 ( 4.958 0.000 -5.290) 7.250 2.734 ( 8.525 0.000 2.352) 8.843 4.132 ( -7.986 0.000 -4.305) 9.072 5.674 ( 0.811 0.000 12.092) 12.119 6.249 ( 3.791 0.000 -1.697) 4.154 6.254 ( 4.007 0.000 -2.097) 4.522 6.485 ( -0.606 0.000 -4.621) 4.660 6.836 ( 2.378 0.000 -10.483) 10.749 6.941 ( -8.633 0.000 -2.794) 9.074 8.273 ( 4.587 0.000 1.744) 4.908 8.606 ( 2.511 0.000 10.809) 11.096 8.639 ( -2.923 0.000 0.794) 3.029 9.169 ( -0.243 0.000 -1.195) 1.220 9.615 ( 1.782 0.000 0.371) 1.821 9.779 ( 3.917 0.000 -4.339) 5.845 ======================= Grid point 279 (139/212) ======================= q-point: ( 0.46 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -5.749 0.000 -0.515) 5.772 0.785 ( 1.421 0.000 -6.942) 7.086 0.969 ( -4.535 0.000 3.993) 6.043 1.187 ( -1.719 0.000 -1.932) 2.586 1.217 ( 0.386 0.000 1.133) 1.197 1.301 ( 1.967 0.000 -4.059) 4.511 1.425 ( 0.140 0.000 2.066) 2.071 1.451 ( 3.809 0.000 0.798) 3.892 1.515 ( 2.434 0.000 -3.355) 4.145 1.605 ( 1.939 0.000 -5.614) 5.939 1.724 ( 1.534 0.000 1.575) 2.199 1.726 ( 1.334 0.000 1.556) 2.050 2.309 ( -0.028 0.000 0.490) 0.490 2.317 ( 2.070 0.000 -1.148) 2.367 2.403 ( -2.319 0.000 5.606) 6.067 2.672 ( 3.324 0.000 -5.843) 6.723 3.006 ( 15.226 0.000 9.033) 17.703 3.880 ( -13.604 0.000 -9.846) 16.794 5.764 ( 0.159 0.000 13.269) 13.270 6.291 ( 2.432 0.000 -4.702) 5.294 6.331 ( 5.331 0.000 -0.233) 5.337 6.410 ( -4.164 0.000 -4.036) 5.800 6.755 ( -8.981 0.000 -2.211) 9.249 6.830 ( 4.116 0.000 -10.007) 10.820 8.402 ( 7.029 0.000 2.855) 7.586 8.563 ( -5.223 0.000 0.003) 5.223 8.713 ( 0.623 0.000 12.329) 12.345 9.126 ( -3.421 0.000 -1.864) 3.895 9.655 ( 2.353 0.000 -0.154) 2.358 9.813 ( 3.108 0.000 -6.090) 6.838 ======================= Grid point 280 (140/212) ======================= q-point: (-0.46 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -5.545 0.000 2.489) 6.078 0.774 ( 1.054 0.000 -4.429) 4.552 0.912 ( -3.904 0.000 4.043) 5.620 1.125 ( -4.262 0.000 0.262) 4.270 1.243 ( 1.519 0.000 1.746) 2.315 1.286 ( -0.172 0.000 -2.775) 2.780 1.425 ( -1.356 0.000 1.280) 1.864 1.554 ( 6.913 0.000 -2.609) 7.389 1.557 ( 3.753 0.000 -3.847) 5.374 1.608 ( 2.591 0.000 -6.269) 6.783 1.737 ( -0.575 0.000 -0.211) 0.612 1.755 ( 0.722 0.000 0.606) 0.942 2.282 ( -2.412 0.000 0.391) 2.444 2.337 ( 0.640 0.000 -0.841) 1.057 2.391 ( -3.389 0.000 6.451) 7.287 2.668 ( 0.141 0.000 -6.083) 6.085 3.381 ( 16.379 0.000 12.302) 20.484 3.509 ( -17.243 0.000 -13.382) 21.826 5.854 ( 0.495 0.000 13.096) 13.105 6.280 ( -2.699 0.000 -9.469) 9.846 6.296 ( -2.436 0.000 -0.287) 2.452 6.428 ( 4.420 0.000 -0.069) 4.421 6.591 ( -6.909 0.000 -0.594) 6.935 6.868 ( 5.999 0.000 -7.594) 9.677 8.449 ( -6.192 0.000 -1.264) 6.319 8.556 ( 7.306 0.000 1.595) 7.478 8.782 ( -2.188 0.000 14.195) 14.363 9.019 ( -6.442 0.000 -2.077) 6.769 9.699 ( 2.573 0.000 -0.778) 2.688 9.817 ( 1.838 0.000 -6.956) 7.195 ======================= Grid point 281 (141/212) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -5.002 0.000 5.414) 7.371 0.747 ( -2.914 0.000 0.398) 2.941 0.894 ( 0.124 0.000 1.954) 1.958 1.029 ( -6.637 0.000 1.846) 6.889 1.274 ( 0.063 0.000 -0.862) 0.864 1.293 ( 2.162 0.000 1.406) 2.579 1.395 ( -1.874 0.000 0.321) 1.902 1.579 ( 1.325 0.000 -4.881) 5.058 1.628 ( 3.819 0.000 -5.600) 6.779 1.655 ( 4.498 0.000 -3.382) 5.628 1.716 ( 0.031 0.000 -2.103) 2.103 1.753 ( -0.971 0.000 -0.511) 1.097 2.242 ( -1.546 0.000 -0.055) 1.547 2.320 ( -2.533 0.000 -1.216) 2.810 2.360 ( -3.926 0.000 6.311) 7.433 2.591 ( -4.339 0.000 -5.609) 7.091 3.096 ( -16.087 0.000 -13.395) 20.934 3.752 ( 14.033 0.000 12.367) 18.705 5.947 ( 0.614 0.000 11.672) 11.688 6.114 ( -8.921 0.000 -4.100) 9.818 6.271 ( 0.867 0.000 -6.628) 6.685 6.478 ( 1.097 0.000 -1.523) 1.877 6.506 ( -2.516 0.000 2.484) 3.536 6.960 ( 7.494 0.000 -3.824) 8.413 8.323 ( -5.696 0.000 -2.546) 6.239 8.668 ( 2.919 0.000 0.082) 2.920 8.830 ( -1.652 0.000 14.583) 14.676 8.867 ( -8.028 0.000 -1.779) 8.222 9.738 ( 2.273 0.000 -1.604) 2.782 9.795 ( 0.548 0.000 -6.853) 6.875 ======================= Grid point 282 (142/212) ======================= q-point: (-0.31 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -4.026 0.000 7.612) 8.611 0.686 ( -4.701 0.000 5.361) 7.130 0.902 ( -8.472 0.000 3.290) 9.089 0.919 ( 1.067 0.000 0.424) 1.148 1.271 ( -0.649 0.000 1.149) 1.320 1.288 ( -2.176 0.000 -3.216) 3.883 1.405 ( 1.596 0.000 2.821) 3.241 1.533 ( -2.573 0.000 -5.703) 6.257 1.654 ( -2.079 0.000 0.014) 2.079 1.691 ( 6.193 0.000 -3.468) 7.098 1.716 ( -1.974 0.000 -1.606) 2.545 1.743 ( 3.804 0.000 -3.785) 5.366 2.162 ( -13.152 0.000 -4.617) 13.939 2.223 ( -0.440 0.000 -1.754) 1.808 2.346 ( -0.572 0.000 4.799) 4.833 2.484 ( -2.897 0.000 -0.827) 3.013 2.783 ( -8.997 0.000 -9.641) 13.187 4.048 ( 9.383 0.000 9.737) 13.522 5.905 ( -10.256 0.000 -3.380) 10.798 6.015 ( -0.568 0.000 8.663) 8.681 6.243 ( 0.616 0.000 -6.882) 6.909 6.450 ( -2.638 0.000 -2.250) 3.467 6.525 ( 1.855 0.000 4.884) 5.225 7.085 ( 6.925 0.000 -1.340) 7.054 8.213 ( -3.686 0.000 -3.328) 4.966 8.657 ( -4.481 0.000 3.317) 5.575 8.710 ( -7.208 0.000 -0.810) 7.253 8.915 ( 1.851 0.000 9.002) 9.191 9.754 ( -0.379 0.000 -5.953) 5.965 9.760 ( 1.474 0.000 -2.747) 3.117 ======================= Grid point 283 (143/212) ======================= q-point: (-0.23 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -2.565 0.000 8.222) 8.613 0.671 ( -2.098 0.000 12.329) 12.506 0.766 ( -8.359 0.000 5.410) 9.957 0.923 ( -0.993 0.000 -0.333) 1.047 1.217 ( -2.001 0.000 -4.211) 4.662 1.259 ( -1.984 0.000 2.605) 3.274 1.420 ( -5.830 0.000 -3.903) 7.016 1.442 ( 0.585 0.000 1.312) 1.436 1.608 ( -2.526 0.000 0.811) 2.653 1.663 ( -2.326 0.000 -0.919) 2.501 1.799 ( 4.201 0.000 -2.202) 4.743 1.819 ( 6.563 0.000 -3.646) 7.508 1.851 ( -13.412 0.000 0.812) 13.436 2.187 ( -2.452 0.000 -0.575) 2.519 2.405 ( 4.734 0.000 -0.439) 4.754 2.460 ( -1.168 0.000 1.093) 1.600 2.616 ( -3.447 0.000 -4.766) 5.882 4.215 ( 2.852 0.000 5.017) 5.771 5.699 ( -9.369 0.000 -1.931) 9.566 6.029 ( -2.411 0.000 4.122) 4.775 6.201 ( -0.800 0.000 -5.760) 5.815 6.358 ( -5.545 0.000 -1.337) 5.704 6.631 ( 5.634 0.000 5.252) 7.702 7.183 ( 3.919 0.000 -1.289) 4.126 8.152 ( -0.413 0.000 -2.784) 2.814 8.567 ( -7.109 0.000 4.145) 8.229 8.602 ( -3.836 0.000 0.627) 3.887 8.992 ( 1.172 0.000 5.222) 5.351 9.708 ( -0.881 0.000 -4.549) 4.633 9.756 ( 0.342 0.000 -3.984) 3.998 ======================= Grid point 284 (144/212) ======================= q-point: (-0.15 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -1.429 0.000 7.163) 7.304 0.683 ( -4.340 0.000 8.115) 9.202 0.734 ( -3.278 0.000 11.020) 11.497 0.906 ( 0.759 0.000 3.901) 3.975 1.188 ( 1.781 0.000 -2.358) 2.955 1.223 ( -3.726 0.000 0.486) 3.757 1.291 ( -5.544 0.000 1.901) 5.861 1.447 ( -0.531 0.000 0.597) 0.799 1.577 ( -1.557 0.000 1.434) 2.116 1.604 ( -10.214 0.000 6.965) 12.363 1.635 ( -0.459 0.000 -2.542) 2.583 1.872 ( 4.588 0.000 -1.083) 4.714 1.969 ( 6.271 0.000 0.620) 6.302 2.134 ( -2.788 0.000 0.054) 2.789 2.400 ( -3.934 0.000 -2.843) 4.854 2.493 ( 5.634 0.000 -4.093) 6.964 2.641 ( 6.078 0.000 4.048) 7.303 4.209 ( -4.898 0.000 -0.933) 4.986 5.541 ( -6.464 0.000 0.185) 6.466 5.975 ( -4.489 0.000 -1.288) 4.670 6.141 ( -2.122 0.000 -3.467) 4.065 6.244 ( -5.609 0.000 0.728) 5.656 6.791 ( 7.912 0.000 3.440) 8.628 7.206 ( 0.019 0.000 -2.651) 2.651 8.166 ( 3.240 0.000 -1.359) 3.513 8.455 ( -7.205 0.000 3.687) 8.093 8.579 ( 0.340 0.000 2.239) 2.265 9.018 ( -1.162 0.000 2.627) 2.872 9.665 ( -1.101 0.000 -2.969) 3.166 9.722 ( -0.949 0.000 -4.443) 4.543 ======================= Grid point 285 (145/212) ======================= q-point: (-0.08 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 0.457 0.000 5.123) 5.144 0.657 ( -6.600 0.000 3.196) 7.333 0.713 ( 1.229 0.000 8.885) 8.969 0.981 ( 2.200 0.000 2.673) 3.462 1.133 ( -3.819 0.000 -0.972) 3.940 1.231 ( 1.925 0.000 -2.848) 3.438 1.252 ( -2.722 0.000 6.442) 6.993 1.440 ( -0.512 0.000 0.135) 0.530 1.511 ( -4.639 0.000 10.685) 11.649 1.565 ( -1.001 0.000 1.899) 2.147 1.685 ( 4.948 0.000 4.807) 6.899 1.952 ( 4.175 0.000 -0.196) 4.180 2.048 ( 1.166 0.000 1.504) 1.902 2.087 ( -2.035 0.000 0.017) 2.035 2.319 ( -2.507 0.000 -1.663) 3.009 2.552 ( 3.898 0.000 -6.419) 7.510 2.865 ( 13.145 0.000 7.548) 15.158 4.024 ( -11.785 0.000 -6.781) 13.596 5.469 ( -1.937 0.000 2.638) 3.272 5.841 ( -7.425 0.000 -4.300) 8.580 6.091 ( -1.263 0.000 -0.989) 1.604 6.179 ( -1.666 0.000 0.690) 1.803 6.956 ( 7.882 0.000 0.442) 7.895 7.164 ( -2.059 0.000 -3.152) 3.765 8.243 ( 5.429 0.000 -1.502) 5.633 8.353 ( -5.710 0.000 2.951) 6.427 8.637 ( 3.376 0.000 4.285) 5.456 8.979 ( -4.104 0.000 0.545) 4.140 9.629 ( -1.104 0.000 -1.486) 1.851 9.668 ( -1.980 0.000 -3.264) 3.817 ======================= Grid point 286 (146/212) ======================= q-point: ( 0.00 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 4.703 6.021 1.758) 7.840 0.650 ( -1.238 4.739 1.498) 5.122 0.848 ( 2.839 2.848 7.457) 8.472 1.047 ( 2.348 1.691 -1.571) 3.293 1.084 ( 0.370 -0.964 1.718) 2.004 1.185 ( -3.794 -1.202 2.527) 4.714 1.235 ( 0.451 -0.352 0.579) 0.814 1.398 ( -1.605 -0.624 -2.352) 2.915 1.497 ( -0.550 -4.498 3.512) 5.733 1.579 ( -0.325 1.198 1.749) 2.145 1.801 ( 5.132 -3.505 6.113) 8.717 1.979 ( -0.838 -3.711 -2.516) 4.561 2.055 ( -1.304 1.565 1.339) 2.437 2.086 ( 0.695 1.151 -0.058) 1.346 2.323 ( 1.613 2.887 4.855) 5.875 2.570 ( 1.785 1.101 -6.126) 6.475 3.245 ( 13.112 3.473 9.414) 16.511 3.681 ( -13.807 -2.012 -9.783) 17.041 5.523 ( 2.520 1.744 4.689) 5.602 5.683 ( -7.024 1.158 -3.650) 8.000 6.080 ( 2.227 -1.326 -0.734) 2.694 6.146 ( 1.728 -2.600 -2.448) 3.967 7.085 ( 5.201 0.435 -1.225) 5.361 7.119 ( -1.326 1.308 -2.832) 3.389 8.269 ( -1.355 -0.331 3.094) 3.393 8.375 ( 3.216 1.796 -2.333) 4.361 8.733 ( 3.368 -0.993 4.944) 6.064 8.868 ( -5.127 -0.626 -1.216) 5.306 9.588 ( -1.389 -1.033 0.201) 1.743 9.614 ( -1.344 -0.381 -1.570) 2.102 ======================= Grid point 287 (147/212) ======================= q-point: ( 0.08 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 2.988 3.033 -0.708) 4.316 0.739 ( 6.891 5.042 0.045) 8.539 0.929 ( 1.690 1.024 3.723) 4.215 1.079 ( 1.937 0.007 -2.271) 2.985 1.107 ( -0.548 -0.160 -0.013) 0.571 1.155 ( 2.397 3.306 0.171) 4.088 1.270 ( 1.619 -0.857 4.044) 4.439 1.368 ( -0.469 -0.465 -0.435) 0.791 1.508 ( -0.286 -4.691 3.009) 5.580 1.585 ( -0.147 -0.050 0.592) 0.612 1.894 ( 0.589 -4.135 2.244) 4.741 1.914 ( -2.538 -5.392 -3.075) 6.706 2.049 ( 0.449 0.970 0.791) 1.330 2.097 ( -0.032 0.017 -0.392) 0.394 2.401 ( 2.715 4.549 3.796) 6.517 2.530 ( -0.904 4.888 -7.104) 8.670 3.338 ( -13.448 0.970 -10.822) 17.289 3.576 ( 12.819 -1.589 11.259) 17.135 5.555 ( -4.407 1.887 -1.359) 4.983 5.642 ( 5.932 0.521 5.769) 8.291 6.145 ( 5.220 -2.275 -1.732) 5.951 6.174 ( 3.434 -1.757 -4.154) 5.668 7.072 ( -1.403 2.360 -3.375) 4.351 7.154 ( 3.276 -0.107 -2.576) 4.169 8.265 ( -0.360 1.108 2.129) 2.427 8.442 ( 4.993 0.099 -2.249) 5.477 8.710 ( -7.258 -0.062 -0.560) 7.280 8.868 ( 3.875 -1.626 4.502) 6.158 9.567 ( -1.209 -0.702 0.934) 1.681 9.595 ( -0.031 -0.445 -0.143) 0.468 ======================= Grid point 288 (148/212) ======================= q-point: ( 0.15 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 4.007 -0.398 -4.053) 5.713 0.853 ( 4.641 1.829 -1.226) 5.137 0.976 ( 2.761 -0.057 0.904) 2.905 1.057 ( 0.131 2.161 -2.952) 3.661 1.145 ( 2.424 -0.698 1.104) 2.754 1.228 ( 4.330 4.303 0.018) 6.105 1.314 ( 0.158 -0.450 1.685) 1.752 1.386 ( 1.717 0.251 2.376) 2.943 1.530 ( 0.593 -3.972 2.015) 4.493 1.580 ( -0.506 -0.356 0.081) 0.624 1.817 ( -3.333 -3.450 -3.531) 5.957 1.897 ( -1.686 -3.722 -1.624) 4.397 2.065 ( -2.360 0.375 -1.787) 2.984 2.086 ( 2.309 -1.749 0.684) 2.976 2.407 ( -1.687 4.988 -4.158) 6.709 2.525 ( 3.439 7.335 0.234) 8.105 3.038 ( -10.281 3.548 -10.608) 15.193 3.868 ( 9.737 -5.928 10.972) 15.822 5.501 ( -1.307 2.140 1.694) 3.026 5.808 ( 7.426 -1.370 5.369) 9.265 6.203 ( 3.365 -0.381 -4.217) 5.409 6.256 ( 6.957 -2.829 -2.952) 8.069 7.020 ( -1.178 2.784 -5.058) 5.892 7.178 ( 1.178 -0.788 -3.053) 3.366 8.287 ( 1.867 2.209 -0.086) 2.894 8.516 ( 0.683 -0.743 2.299) 2.511 8.569 ( -3.972 2.403 -1.730) 4.954 8.970 ( 3.554 -3.620 3.948) 6.429 9.558 ( -0.380 -0.250 1.198) 1.281 9.610 ( 1.590 -0.666 0.175) 1.733 ======================= Grid point 289 (149/212) ======================= q-point: ( 0.23 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 2.857 -3.257 -6.675) 7.958 0.886 ( 0.504 -2.195 -2.409) 3.297 1.050 ( 2.691 -0.949 2.317) 3.675 1.072 ( 3.933 4.582 -3.815) 7.143 1.189 ( 1.525 -1.219 0.652) 2.059 1.300 ( 1.524 3.915 -1.007) 4.320 1.318 ( 1.469 0.834 1.568) 2.305 1.422 ( 0.247 1.561 0.136) 1.586 1.532 ( -0.155 -3.175 -1.207) 3.401 1.565 ( -1.006 -0.360 -0.264) 1.101 1.772 ( -0.158 -0.430 -0.204) 0.502 1.832 ( -3.108 -0.836 -3.381) 4.668 2.008 ( -0.512 1.073 -2.792) 3.034 2.141 ( 2.741 -3.803 1.057) 4.805 2.367 ( -0.342 4.391 -0.988) 4.514 2.605 ( 4.911 6.058 -1.186) 7.889 2.826 ( -5.766 5.632 -8.002) 11.358 4.063 ( 4.388 -8.741 7.313) 12.213 5.522 ( 0.895 1.820 5.224) 5.604 5.973 ( 6.623 -3.690 3.641) 8.411 6.236 ( 2.886 2.294 -4.183) 5.576 6.365 ( 6.437 -3.516 -3.489) 8.122 6.964 ( -0.669 2.874 -7.001) 7.597 7.159 ( -1.242 -1.517 -2.946) 3.538 8.313 ( 1.613 4.472 -5.077) 6.955 8.452 ( -4.665 2.103 9.917) 11.159 8.613 ( 3.493 -0.421 -0.387) 3.539 9.047 ( 2.677 -4.842 1.971) 5.873 9.568 ( 0.627 0.235 0.956) 1.167 9.655 ( 3.144 -0.814 -0.575) 3.298 ======================= Grid point 290 (150/212) ======================= q-point: ( 0.31 0.17 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 2.328 -4.458 -7.472) 9.007 0.840 ( -3.634 -3.811 -3.190) 6.157 1.092 ( 1.004 3.571 0.459) 3.738 1.129 ( 2.894 -1.158 -1.742) 3.571 1.214 ( 2.068 -0.693 -2.370) 3.221 1.284 ( -1.910 1.532 1.736) 3.001 1.369 ( 2.272 1.703 -3.244) 4.311 1.415 ( 1.166 5.432 0.940) 5.635 1.532 ( 0.083 -2.301 -1.381) 2.685 1.578 ( 2.369 -1.192 1.800) 3.205 1.733 ( -3.599 3.381 -2.183) 5.399 1.771 ( -1.666 3.088 -0.130) 3.511 2.048 ( 5.700 -3.584 -2.044) 7.037 2.198 ( 2.224 -5.044 1.636) 5.750 2.379 ( 1.210 3.325 1.571) 3.872 2.659 ( 0.793 -1.307 -4.478) 4.732 2.753 ( 3.727 13.582 -2.295) 14.270 4.122 ( -1.431 -9.724 2.098) 10.050 5.591 ( 1.472 1.202 8.585) 8.793 6.097 ( 4.793 -5.661 1.613) 7.591 6.258 ( 2.355 3.270 -4.210) 5.828 6.444 ( 4.378 -2.757 -4.461) 6.832 6.906 ( -0.196 2.589 -8.384) 8.777 7.091 ( -3.942 -0.624 -2.592) 4.758 8.295 ( 0.492 6.442 -1.911) 6.737 8.500 ( 1.340 0.765 10.195) 10.311 8.654 ( 0.374 -0.475 1.327) 1.458 9.096 ( 1.814 -5.422 -0.055) 5.718 9.593 ( 1.514 0.795 0.410) 1.758 9.715 ( 3.951 -0.930 -2.205) 4.620 ======================= Grid point 291 (151/212) ======================= q-point: ( 0.38 0.17 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -5.057 -3.918 -3.971) 7.530 0.748 ( 1.279 -4.871 -5.946) 7.792 1.087 ( -1.918 4.815 0.897) 5.260 1.158 ( 1.446 -2.114 -1.059) 2.772 1.234 ( 1.171 0.777 -4.829) 5.030 1.278 ( 0.853 -0.153 3.228) 3.343 1.370 ( -0.536 -0.617 -1.809) 1.985 1.465 ( 1.977 4.264 1.973) 5.097 1.527 ( 1.278 1.174 -1.782) 2.487 1.634 ( 2.147 1.604 -2.428) 3.616 1.684 ( 0.434 1.682 0.932) 1.972 1.748 ( -0.608 3.485 0.381) 3.559 2.149 ( 5.614 -5.466 -1.899) 8.062 2.235 ( 0.155 -6.615 1.852) 6.871 2.423 ( 1.431 3.107 3.378) 4.808 2.645 ( 1.933 -0.627 -3.885) 4.385 2.880 ( 8.876 12.269 1.606) 15.229 4.038 ( -6.908 -8.450 -3.375) 11.424 5.677 ( 0.780 0.522 10.944) 10.984 6.176 ( 3.162 -6.897 -0.617) 7.612 6.279 ( 3.014 2.344 -3.642) 5.276 6.462 ( 0.723 -1.526 -5.541) 5.793 6.850 ( -0.368 1.947 -7.471) 7.730 6.987 ( -4.659 2.756 -3.296) 6.337 8.333 ( 3.472 5.458 1.800) 6.714 8.591 ( 0.234 -0.867 8.899) 8.944 8.650 ( -1.014 0.598 3.033) 3.254 9.111 ( 0.113 -5.269 -1.270) 5.421 9.628 ( 2.066 1.161 -0.197) 2.378 9.769 ( 3.857 -0.985 -4.206) 5.791 ======================= Grid point 292 (152/212) ======================= q-point: ( 0.46 0.17 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -5.562 -3.792 -0.177) 6.734 0.739 ( 1.968 -4.261 -6.518) 8.032 1.042 ( -3.567 5.644 1.960) 6.958 1.177 ( 0.887 -1.959 0.067) 2.151 1.199 ( -2.700 0.586 0.102) 2.765 1.295 ( -0.881 -0.826 -5.304) 5.439 1.373 ( 3.402 -3.746 1.970) 5.430 1.505 ( 1.053 3.989 1.479) 4.383 1.564 ( 2.999 3.810 -1.384) 5.043 1.636 ( 1.969 2.550 -5.885) 6.709 1.727 ( 1.394 0.595 1.948) 2.469 1.755 ( 0.870 2.030 0.217) 2.220 2.212 ( -0.619 -6.511 0.590) 6.567 2.233 ( 1.490 -5.927 -0.599) 6.140 2.465 ( 0.320 3.089 4.139) 5.174 2.674 ( 3.112 -0.481 -4.246) 5.286 3.106 ( 12.081 8.341 6.814) 16.185 3.824 ( -11.689 -5.018 -8.086) 15.073 5.759 ( 0.248 -0.140 11.695) 11.699 6.208 ( 1.889 -7.224 -3.540) 8.264 6.331 ( 3.950 0.061 -1.876) 4.373 6.402 ( -3.129 -0.648 -5.354) 6.235 6.783 ( -3.809 3.743 -2.196) 5.774 6.907 ( 0.649 4.788 -7.091) 8.580 8.431 ( 4.150 2.650 3.563) 6.078 8.567 ( -3.539 0.401 1.590) 3.900 8.708 ( 0.188 -0.328 10.379) 10.386 9.079 ( -2.506 -4.198 -1.793) 5.208 9.666 ( 2.304 1.048 -0.745) 2.638 9.802 ( 3.045 -0.979 -5.853) 6.670 ======================= Grid point 293 (153/212) ======================= q-point: (-0.46 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -4.610 -2.909 2.079) 5.834 0.741 ( 1.958 -3.079 -4.576) 5.853 0.985 ( -3.936 5.523 2.685) 7.294 1.131 ( -4.762 0.858 1.510) 5.068 1.194 ( -0.341 -3.274 1.475) 3.607 1.252 ( 0.494 -2.362 -3.260) 4.056 1.460 ( 3.557 -0.825 0.184) 3.656 1.524 ( 1.513 1.656 -1.332) 2.608 1.605 ( 2.369 1.857 -2.146) 3.696 1.640 ( 2.259 2.589 -5.539) 6.518 1.747 ( 0.053 1.165 0.432) 1.243 1.769 ( 0.305 1.054 -0.338) 1.148 2.164 ( -3.737 -7.299 1.297) 8.302 2.265 ( 1.307 -4.171 -0.812) 4.446 2.486 ( -0.611 3.812 3.696) 5.345 2.684 ( 0.849 0.726 -5.349) 5.465 3.400 ( 11.035 1.759 9.535) 14.689 3.512 ( -12.877 0.292 -9.997) 16.305 5.841 ( 0.725 -0.782 11.177) 11.227 6.214 ( 1.950 -6.489 -5.229) 8.559 6.285 ( -5.922 0.060 -4.185) 7.252 6.376 ( 1.295 -2.997 -1.512) 3.598 6.702 ( -3.248 7.981 0.425) 8.627 6.919 ( 4.877 3.842 -6.591) 9.055 8.429 ( -5.719 -0.905 1.667) 6.026 8.604 ( 5.981 3.252 0.983) 6.878 8.753 ( -3.264 -2.327 12.139) 12.784 8.998 ( -4.752 -1.979 -1.604) 5.392 9.704 ( 2.297 0.480 -1.270) 2.668 9.807 ( 1.790 -0.911 -6.666) 6.962 ======================= Grid point 294 (154/212) ======================= q-point: (-0.38 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -3.348 -1.247 3.534) 5.025 0.750 ( 0.718 -0.816 -0.969) 1.456 0.932 ( -3.304 3.205 2.309) 5.150 1.040 ( -6.375 1.502 3.399) 7.379 1.190 ( -0.010 -5.144 0.205) 5.148 1.271 ( 1.849 -1.785 -0.320) 2.589 1.464 ( -2.202 4.808 0.742) 5.340 1.563 ( 2.668 -3.869 -4.858) 6.759 1.618 ( 0.375 -3.413 -5.156) 6.194 1.651 ( 2.694 3.375 -1.856) 4.701 1.744 ( 0.080 1.614 -0.417) 1.669 1.760 ( -0.833 1.032 -0.443) 1.398 2.103 ( -2.883 -6.228 -0.548) 6.885 2.267 ( -0.818 -3.149 0.013) 3.253 2.500 ( 0.231 4.892 2.637) 5.563 2.626 ( -3.347 2.998 -5.746) 7.294 3.137 ( -15.323 4.317 -10.360) 18.994 3.720 ( 11.810 -3.031 10.648) 16.188 5.926 ( 0.962 -1.288 9.280) 9.418 6.125 ( -8.327 0.987 -3.199) 8.975 6.218 ( 2.267 -4.716 -5.914) 7.897 6.361 ( -1.566 -4.804 -0.649) 5.094 6.673 ( -0.592 9.126 0.572) 9.163 6.996 ( 6.473 2.722 -3.572) 7.879 8.318 ( -5.969 0.017 0.029) 5.969 8.701 ( 0.370 2.358 0.443) 2.427 8.748 ( -2.357 -5.048 8.890) 10.491 8.903 ( -4.374 1.192 2.138) 5.012 9.734 ( 1.898 -0.292 -1.895) 2.698 9.786 ( 0.533 -0.791 -6.588) 6.657 ======================= Grid point 295 (155/212) ======================= q-point: (-0.31 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -1.792 0.648 4.693) 5.065 0.750 ( -1.737 3.704 4.287) 5.926 0.873 ( -5.580 -0.991 2.712) 6.283 0.957 ( -3.674 2.607 3.072) 5.452 1.197 ( 0.420 -4.558 -0.389) 4.594 1.293 ( 0.083 -0.743 0.098) 0.754 1.426 ( -1.826 1.981 0.553) 2.750 1.533 ( -3.297 -7.555 -2.421) 8.591 1.549 ( -3.029 -0.040 -3.533) 4.654 1.703 ( 0.266 0.517 -1.736) 1.831 1.741 ( 2.890 0.032 -1.885) 3.450 1.770 ( 2.754 2.794 -0.225) 3.929 2.036 ( -3.573 -3.486 -3.948) 6.364 2.236 ( -2.478 -2.116 0.204) 3.265 2.486 ( -6.605 2.737 -3.058) 7.777 2.545 ( 2.663 8.330 0.465) 8.757 2.831 ( -10.471 6.657 -7.034) 14.263 3.975 ( 8.188 -6.840 8.556) 13.677 5.905 ( -8.440 -0.007 -2.841) 8.906 6.021 ( -0.907 1.058 6.994) 7.131 6.216 ( 1.141 -3.191 -5.766) 6.688 6.323 ( -2.241 -5.854 0.044) 6.269 6.678 ( 0.668 8.653 1.173) 8.758 7.099 ( 5.858 0.895 -1.949) 6.238 8.219 ( -3.988 1.001 -0.562) 4.150 8.625 ( -7.365 -2.927 5.254) 9.509 8.737 ( -3.121 2.234 -1.078) 3.986 8.909 ( 1.364 -0.483 6.136) 6.305 9.744 ( -0.187 -0.909 -3.833) 3.944 9.751 ( 0.906 -0.773 -4.699) 4.847 ======================= Grid point 296 (156/212) ======================= q-point: (-0.23 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -0.297 2.403 5.480) 5.991 0.751 ( -3.632 3.387 7.607) 9.084 0.780 ( -4.954 3.719 8.304) 10.360 0.929 ( -1.379 0.662 0.808) 1.730 1.182 ( -1.270 -2.721 -2.021) 3.620 1.277 ( -1.796 1.336 1.633) 2.770 1.365 ( -5.594 -3.937 -1.210) 6.947 1.473 ( -0.970 -5.342 2.855) 6.134 1.490 ( -1.651 0.246 -2.345) 2.879 1.654 ( -2.373 -0.344 -2.303) 3.324 1.792 ( 1.286 0.559 -0.517) 1.494 1.862 ( 5.924 0.841 -2.827) 6.617 1.905 ( -5.301 3.564 -1.794) 6.635 2.182 ( -3.032 -1.165 -0.169) 3.253 2.375 ( -3.281 0.614 -0.041) 3.338 2.596 ( -0.785 -0.938 -3.020) 3.258 2.677 ( 0.438 15.293 -0.825) 15.321 4.123 ( 2.754 -8.503 4.443) 9.981 5.715 ( -8.793 1.548 -2.233) 9.203 6.041 ( -1.643 1.408 4.178) 4.705 6.175 ( -1.829 -3.861 -4.935) 6.528 6.272 ( -3.223 -4.407 -0.229) 5.464 6.727 ( 3.417 6.693 2.662) 7.972 7.175 ( 3.354 -1.041 -2.401) 4.254 8.171 ( -0.762 1.988 -0.053) 2.130 8.528 ( -6.227 -2.539 5.050) 8.409 8.658 ( -4.125 3.781 0.063) 5.596 8.972 ( 1.267 -1.820 3.649) 4.270 9.700 ( -1.062 -0.707 -4.068) 4.264 9.740 ( 0.241 -1.367 -4.074) 4.304 ======================= Grid point 297 (157/212) ======================= q-point: (-0.15 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 0.115 3.586 5.041) 6.188 0.705 ( -3.619 2.164 8.466) 9.458 0.793 ( -3.773 4.639 6.169) 8.592 0.934 ( 1.341 2.177 5.091) 5.697 1.148 ( -1.690 -3.969 1.122) 4.457 1.240 ( -3.069 0.990 -1.044) 3.390 1.270 ( -3.108 -0.681 2.876) 4.289 1.459 ( -0.533 -1.504 -0.295) 1.622 1.485 ( -0.548 -2.401 2.220) 3.316 1.609 ( -0.429 -1.153 -1.235) 1.744 1.691 ( -7.528 4.747 0.091) 8.900 1.891 ( 3.831 0.606 -0.755) 3.952 1.994 ( 5.486 1.446 0.736) 5.721 2.127 ( -2.519 -0.691 -0.342) 2.634 2.336 ( -1.884 -2.076 0.138) 2.807 2.527 ( -1.218 -0.787 -1.465) 2.061 2.786 ( 7.787 13.516 1.094) 15.637 4.125 ( -3.988 -7.923 -0.769) 8.903 5.564 ( -6.149 2.181 -0.033) 6.524 5.994 ( -4.540 1.361 -2.481) 5.350 6.105 ( -2.823 -4.059 -0.478) 4.967 6.202 ( -3.625 -2.144 -0.461) 4.237 6.837 ( 6.101 3.793 2.620) 7.647 7.192 ( 0.512 -1.546 -3.388) 3.759 8.189 ( 2.161 2.058 0.756) 3.078 8.449 ( -5.599 -0.944 4.315) 7.131 8.610 ( -0.813 3.085 1.144) 3.389 8.994 ( -0.853 -2.260 1.581) 2.887 9.655 ( -1.336 -0.769 -2.560) 2.988 9.707 ( -0.798 -1.344 -4.328) 4.602 ======================= Grid point 298 (158/212) ======================= q-point: (-0.08 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 1.925 5.036 3.878) 6.641 0.704 ( -4.826 3.944 4.146) 7.486 0.755 ( 0.600 3.819 7.061) 8.049 1.002 ( 2.188 1.682 2.365) 3.634 1.106 ( -3.487 -3.307 2.190) 5.281 1.213 ( -1.550 -0.989 4.277) 4.656 1.245 ( -0.847 0.317 -1.252) 1.544 1.446 ( -1.378 0.465 -1.836) 2.342 1.483 ( -0.689 -4.340 3.604) 5.684 1.594 ( -2.928 3.018 1.424) 4.440 1.659 ( 4.254 -0.502 5.778) 7.193 1.960 ( 3.343 -0.649 -0.594) 3.457 2.062 ( 0.659 0.774 0.989) 1.418 2.089 ( -0.935 0.470 -0.295) 1.087 2.301 ( -1.472 -0.360 1.345) 2.026 2.544 ( 3.104 -1.402 -2.300) 4.110 2.974 ( 10.546 9.682 4.566) 15.027 3.966 ( -10.301 -5.492 -5.890) 13.075 5.494 ( -1.971 2.318 2.490) 3.932 5.851 ( -7.338 0.381 -4.706) 8.725 6.071 ( -0.879 -1.785 0.212) 2.001 6.149 ( -1.233 -2.182 -0.666) 2.593 6.972 ( 6.638 1.591 0.844) 6.878 7.162 ( -1.047 -0.316 -3.291) 3.468 8.244 ( 2.422 0.418 1.266) 2.764 8.379 ( -3.313 1.417 1.628) 3.954 8.644 ( 2.567 1.136 3.430) 4.433 8.958 ( -3.409 -1.957 -0.184) 3.935 9.617 ( -1.425 -0.911 -1.064) 1.998 9.659 ( -1.527 -0.893 -3.326) 3.767 ======================= Grid point 299 (159/212) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 3.733 5.660 1.380) 6.919 0.773 ( -0.754 6.299 0.610) 6.373 0.925 ( 3.225 3.268 6.422) 7.894 1.031 ( -0.451 -1.938 5.791) 6.124 1.096 ( 0.742 1.505 0.392) 1.723 1.162 ( -0.994 -0.019 2.525) 2.714 1.228 ( 0.910 -1.510 -2.354) 2.941 1.371 ( -0.689 -6.921 4.112) 8.080 1.411 ( -1.352 2.937 -5.866) 6.698 1.584 ( 0.186 -1.513 -3.594) 3.904 1.756 ( 1.211 -0.331 3.495) 3.713 1.872 ( -1.122 -5.313 -3.368) 6.390 2.089 ( -0.848 1.494 1.082) 2.030 2.108 ( -0.016 0.720 0.230) 0.756 2.408 ( 3.624 4.504 5.928) 8.280 2.563 ( 4.170 -1.865 -1.492) 4.805 3.353 ( 5.277 6.392 5.721) 10.071 3.613 ( -9.285 -4.490 -5.470) 11.674 5.577 ( 1.122 3.277 3.806) 5.146 5.695 ( -5.153 -0.554 -1.956) 5.539 6.049 ( 2.220 -1.193 -2.440) 3.508 6.085 ( 1.512 -2.680 -3.658) 4.780 7.107 ( 3.952 1.560 -0.649) 4.298 7.143 ( 0.526 0.674 -2.560) 2.699 8.281 ( -0.877 1.441 4.611) 4.910 8.378 ( 0.856 -1.626 1.564) 2.413 8.738 ( 1.625 1.663 0.692) 2.426 8.841 ( -2.619 -1.939 -2.110) 3.882 9.572 ( -1.302 -0.346 0.140) 1.354 9.597 ( -1.017 -1.073 -1.545) 2.138 ======================= Grid point 300 (160/212) ======================= q-point: ( 0.08 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.408 5.372 -0.732) 5.437 0.839 ( 3.961 3.648 -0.572) 5.415 0.991 ( -0.781 3.951 4.228) 5.839 1.055 ( 1.779 -0.915 -0.918) 2.201 1.090 ( 0.762 -1.325 1.450) 2.107 1.217 ( 2.340 2.059 4.062) 5.120 1.277 ( 5.190 -1.241 -0.026) 5.337 1.362 ( 0.060 2.574 -5.138) 5.746 1.385 ( -0.526 -6.059 4.441) 7.531 1.571 ( 0.804 -2.235 -3.617) 4.327 1.788 ( -0.374 -3.616 1.514) 3.938 1.823 ( -1.412 -3.592 -1.979) 4.337 2.078 ( -0.906 1.460 0.890) 1.935 2.104 ( -0.577 0.315 0.229) 0.697 2.504 ( 3.104 4.715 1.278) 5.788 2.603 ( 2.589 1.411 -4.919) 5.735 3.377 ( -9.391 2.848 -4.157) 10.657 3.526 ( 5.805 -3.031 7.752) 10.148 5.603 ( -3.248 2.453 -0.320) 4.083 5.653 ( 3.372 0.345 4.695) 5.791 6.095 ( 4.490 -1.936 -3.250) 5.872 6.124 ( 5.166 -2.634 -4.093) 7.098 7.125 ( -0.365 2.263 -3.632) 4.295 7.157 ( 2.256 0.307 -2.446) 3.341 8.303 ( 0.406 2.477 4.226) 4.915 8.422 ( 2.607 -2.042 1.809) 3.774 8.723 ( -3.367 1.471 -1.756) 4.072 8.822 ( 1.592 -2.553 0.839) 3.124 9.556 ( -0.740 -0.212 0.795) 1.106 9.580 ( -0.097 -0.951 -0.403) 1.037 ======================= Grid point 301 (161/212) ======================= q-point: ( 0.15 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.323 3.316 -4.103) 5.285 0.872 ( 0.229 -0.072 -2.072) 2.086 0.997 ( 1.032 1.488 1.463) 2.328 1.099 ( 3.994 -0.968 -2.923) 5.043 1.138 ( 2.307 3.174 1.063) 4.065 1.289 ( 1.920 1.228 4.360) 4.919 1.345 ( 1.318 1.480 -3.798) 4.284 1.359 ( 1.996 -2.399 2.206) 3.822 1.440 ( 3.797 -2.387 2.285) 5.033 1.571 ( 1.699 -1.870 -2.384) 3.474 1.738 ( -2.774 -1.863 -2.223) 4.014 1.822 ( 0.020 -3.607 1.039) 3.754 2.067 ( -0.762 0.746 0.489) 1.173 2.088 ( -0.836 0.496 -0.723) 1.212 2.514 ( -0.211 4.773 -4.905) 6.848 2.627 ( 2.811 1.419 -4.082) 5.155 3.186 ( -7.318 10.441 -3.138) 13.131 3.692 ( 5.075 -10.478 8.482) 14.405 5.567 ( -1.023 3.984 1.816) 4.496 5.757 ( 4.115 -3.561 4.516) 7.072 6.178 ( 6.366 -1.176 -3.010) 7.139 6.213 ( 6.551 -1.528 -3.902) 7.777 7.082 ( -1.007 2.768 -5.321) 6.082 7.159 ( 0.232 -0.987 -4.128) 4.251 8.352 ( 2.142 3.780 3.583) 5.632 8.491 ( 2.163 -1.877 4.466) 5.305 8.638 ( -3.437 4.112 -2.620) 5.966 8.867 ( 1.925 -5.730 1.323) 6.188 9.556 ( 0.296 0.170 0.833) 0.900 9.591 ( 1.432 -1.111 -0.036) 1.812 ======================= Grid point 302 (162/212) ======================= q-point: ( 0.23 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 0.218 1.016 -6.184) 6.270 0.838 ( -1.706 -2.504 -3.236) 4.433 1.047 ( 2.706 0.959 1.338) 3.167 1.149 ( 1.776 -2.528 0.310) 3.105 1.174 ( 2.549 4.977 -3.712) 6.711 1.315 ( -0.804 -0.202 0.961) 1.269 1.368 ( 2.754 0.732 -1.512) 3.226 1.421 ( 2.361 -1.502 2.567) 3.798 1.495 ( 2.596 0.704 -1.949) 3.321 1.605 ( 1.165 1.929 -0.327) 2.278 1.709 ( 1.963 -2.696 -0.061) 3.335 1.817 ( -0.860 -1.604 -0.144) 1.826 2.042 ( -1.526 1.538 -1.419) 2.590 2.082 ( 0.553 -1.244 -0.114) 1.366 2.475 ( -0.486 5.039 -3.058) 5.914 2.636 ( 1.304 -1.800 -5.478) 5.912 3.082 ( -2.185 16.521 -0.954) 16.692 3.807 ( 2.149 -14.924 5.664) 16.107 5.585 ( 0.705 4.287 4.374) 6.165 5.856 ( 3.527 -6.980 3.626) 8.620 6.278 ( 5.632 1.413 -3.595) 6.829 6.312 ( 6.622 -1.128 -3.458) 7.556 7.024 ( -1.057 2.588 -6.509) 7.084 7.119 ( -1.286 -2.085 -4.513) 5.135 8.426 ( 3.387 5.209 2.446) 6.678 8.523 ( -4.024 3.937 8.090) 9.856 8.601 ( 2.081 0.340 -1.950) 2.872 8.907 ( 1.767 -8.106 0.263) 8.300 9.578 ( 1.551 0.755 0.319) 1.754 9.631 ( 2.941 -1.387 -0.661) 3.318 ======================= Grid point 303 (163/212) ======================= q-point: ( 0.31 0.33 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 0.049 -1.167 -6.528) 6.632 0.764 ( -3.942 -3.343 -3.649) 6.327 1.100 ( 2.150 0.189 -0.045) 2.159 1.169 ( 0.257 -0.697 1.450) 1.629 1.195 ( 2.110 1.881 -3.387) 4.411 1.292 ( -1.892 -0.696 0.504) 2.078 1.403 ( 2.054 1.373 -3.333) 4.149 1.454 ( 1.376 -1.006 -0.654) 1.826 1.565 ( 4.712 2.789 0.590) 5.508 1.619 ( 1.512 5.753 0.339) 5.958 1.761 ( 1.311 -2.519 -1.739) 3.331 1.796 ( -0.537 0.448 0.234) 0.737 2.017 ( 0.737 0.750 -1.885) 2.158 2.098 ( 0.602 -3.504 0.871) 3.660 2.466 ( 0.376 4.088 0.487) 4.134 2.615 ( 0.349 -2.734 -4.383) 5.177 3.088 ( 2.917 17.525 -0.160) 17.767 3.843 ( -0.949 -15.953 1.994) 16.105 5.642 ( 1.272 3.823 6.735) 7.848 5.936 ( 2.737 -8.810 2.715) 9.617 6.329 ( 2.962 3.122 -5.121) 6.690 6.404 ( 5.117 -1.100 -4.414) 6.847 6.963 ( -0.848 2.631 -6.629) 7.182 7.065 ( -1.630 -1.887 -3.141) 4.010 8.475 ( -0.309 9.713 0.642) 9.739 8.528 ( 0.268 1.906 9.657) 9.847 8.636 ( 0.700 -1.060 1.943) 2.321 8.938 ( 1.896 -9.150 -1.158) 9.416 9.616 ( 2.478 1.372 -0.549) 2.885 9.687 ( 3.754 -1.623 -2.052) 4.576 ======================= Grid point 304 (164/212) ======================= q-point: ( 0.38 0.33 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -1.118 -3.085 -6.867) 7.611 0.652 ( -3.714 -3.196 -2.502) 5.502 1.126 ( 1.535 -0.062 -1.661) 2.263 1.175 ( -1.247 1.630 1.489) 2.535 1.220 ( 2.416 -1.389 -2.808) 3.956 1.263 ( -2.116 -0.801 4.161) 4.737 1.390 ( -0.569 2.729 -4.979) 5.707 1.490 ( 2.940 -0.628 -1.182) 3.230 1.637 ( 2.526 5.731 -0.201) 6.266 1.682 ( 4.147 3.414 1.126) 5.488 1.728 ( -1.536 1.767 -2.439) 3.381 1.798 ( -0.277 0.650 0.227) 0.742 2.052 ( 3.915 -3.072 -2.155) 5.423 2.105 ( -0.782 -4.841 1.322) 5.079 2.487 ( 0.511 2.721 2.512) 3.739 2.610 ( 1.644 -2.505 -2.585) 3.957 3.176 ( 5.737 14.907 1.137) 16.013 3.800 ( -3.732 -13.385 -1.409) 13.967 5.712 ( 0.897 3.082 8.118) 8.730 5.993 ( 1.962 -9.282 1.387) 9.588 6.338 ( 2.046 2.922 -5.667) 6.696 6.432 ( 1.411 -1.432 -6.276) 6.590 6.914 ( -0.359 3.640 -4.512) 5.808 7.018 ( -1.397 -0.076 -2.775) 3.107 8.482 ( -0.263 7.551 4.232) 8.660 8.581 ( -2.243 0.014 8.715) 8.999 8.663 ( 1.726 1.224 2.096) 2.978 8.960 ( 1.313 -8.626 -1.828) 8.914 9.659 ( 2.694 1.745 -1.450) 3.523 9.740 ( 3.662 -1.724 -3.721) 5.498 ======================= Grid point 305 (165/212) ======================= q-point: ( 0.46 0.33 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -4.030 -1.537 -1.486) 4.562 0.634 ( 2.133 -4.980 -5.958) 8.053 1.139 ( -3.251 2.174 1.288) 4.117 1.143 ( 0.759 -0.798 -0.578) 1.244 1.211 ( -1.676 0.072 0.613) 1.786 1.288 ( -1.282 -2.183 4.391) 5.068 1.336 ( 1.177 4.088 -6.461) 7.736 1.538 ( 3.071 -1.355 -2.574) 4.230 1.663 ( -0.583 4.479 0.861) 4.598 1.694 ( 0.482 2.232 -3.125) 3.870 1.757 ( 2.399 2.388 1.308) 3.629 1.795 ( -0.133 1.474 0.450) 1.547 2.085 ( -1.910 -4.586 0.930) 5.055 2.116 ( 4.148 -4.756 -2.827) 6.915 2.514 ( 0.575 1.968 2.809) 3.478 2.638 ( 2.762 -2.812 -2.422) 4.626 3.309 ( 6.501 9.987 3.631) 12.458 3.686 ( -6.494 -7.636 -4.005) 10.795 5.778 ( 0.708 2.343 8.030) 8.395 6.029 ( 1.671 -8.701 -0.528) 8.876 6.340 ( 1.538 0.801 -4.660) 4.972 6.385 ( -1.866 -0.961 -6.241) 6.584 6.888 ( -0.600 5.227 -1.367) 5.436 6.981 ( 0.362 1.755 -4.419) 4.769 8.498 ( -3.068 3.138 6.277) 7.659 8.576 ( -1.726 0.010 6.849) 7.063 8.718 ( 1.517 2.194 3.286) 4.233 8.960 ( -0.086 -6.678 -1.812) 6.920 9.696 ( 2.358 1.668 -2.146) 3.598 9.773 ( 2.860 -1.684 -5.080) 6.069 ======================= Grid point 306 (166/212) ======================= q-point: (-0.46 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -1.372 0.703 -0.619) 1.662 0.652 ( 3.310 -5.015 -4.713) 7.636 1.071 ( -4.782 1.742 1.834) 5.409 1.128 ( -2.979 -2.349 1.779) 4.190 1.194 ( -2.550 3.979 3.288) 5.757 1.231 ( -1.297 1.497 -1.581) 2.535 1.395 ( 5.241 -2.774 -2.448) 6.415 1.556 ( 0.812 -3.747 -4.840) 6.174 1.629 ( -2.917 3.613 0.733) 4.701 1.693 ( 0.232 1.223 -0.662) 1.410 1.786 ( -0.111 1.951 1.168) 2.277 1.797 ( -0.179 1.676 0.622) 1.796 2.058 ( -0.608 -2.000 -1.028) 2.330 2.166 ( 2.830 -4.862 -2.500) 6.156 2.542 ( 0.711 2.113 1.783) 2.854 2.668 ( 2.184 -2.407 -3.909) 5.084 3.450 ( 2.654 2.731 4.654) 6.014 3.517 ( -5.573 -0.029 -3.769) 6.727 5.846 ( 1.517 1.700 6.988) 7.351 6.058 ( 2.439 -7.464 -1.965) 8.094 6.288 ( -4.434 0.245 -4.950) 6.650 6.326 ( -0.730 -1.734 -3.224) 3.732 6.869 ( -0.773 7.044 -0.223) 7.090 6.987 ( 3.300 1.834 -4.612) 5.960 8.437 ( -6.440 1.975 5.561) 8.735 8.612 ( -1.411 -3.700 9.426) 10.225 8.752 ( 0.893 3.470 0.834) 3.679 8.937 ( -1.315 -3.689 -1.028) 4.049 9.720 ( 1.820 1.073 -2.577) 3.332 9.781 ( 1.672 -1.495 -5.745) 6.168 ======================= Grid point 307 (167/212) ======================= q-point: (-0.38 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.549 3.223 -0.452) 3.300 0.693 ( 3.390 -4.424 -2.542) 6.126 0.986 ( -5.757 1.714 3.207) 6.809 1.079 ( -3.845 -2.247 3.808) 5.860 1.136 ( -3.631 4.288 2.495) 6.148 1.248 ( 1.736 -0.000 -0.044) 1.736 1.465 ( 2.574 -4.759 -2.905) 6.141 1.495 ( -3.185 -6.572 -4.867) 8.777 1.578 ( -2.528 5.002 1.403) 5.777 1.699 ( 0.562 0.427 0.562) 0.902 1.774 ( -1.450 1.434 -0.036) 2.039 1.791 ( -0.679 1.213 0.541) 1.492 2.048 ( 0.776 0.698 -3.110) 3.281 2.187 ( 0.964 -4.166 -1.965) 4.706 2.561 ( 0.442 2.132 -0.189) 2.186 2.659 ( -0.078 -0.680 -5.261) 5.305 3.283 ( -10.038 8.798 -3.694) 13.850 3.625 ( 5.884 -5.928 6.564) 10.623 5.921 ( 1.932 1.214 4.841) 5.352 6.095 ( 2.593 -6.063 -2.118) 6.926 6.156 ( -6.010 1.909 -3.958) 7.446 6.276 ( -2.653 -3.493 -1.312) 4.579 6.859 ( 0.009 7.940 -1.051) 8.010 7.037 ( 4.315 0.327 -3.296) 5.439 8.348 ( -6.353 3.199 5.038) 8.716 8.605 ( -6.265 -7.146 10.431) 14.111 8.782 ( 2.650 3.842 -1.928) 5.050 8.903 ( -1.869 -1.130 0.571) 2.257 9.731 ( 1.137 0.115 -2.845) 3.066 9.764 ( 0.495 -1.173 -5.708) 5.848 ======================= Grid point 308 (168/212) ======================= q-point: (-0.31 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 1.537 4.807 0.225) 5.052 0.736 ( 1.781 -4.328 -0.532) 4.710 0.910 ( -4.733 3.399 5.772) 8.202 1.023 ( -5.237 2.225 5.822) 8.141 1.118 ( 0.125 -1.464 1.127) 1.852 1.273 ( 0.324 -1.367 0.980) 1.713 1.373 ( -5.518 -5.278 -2.115) 7.924 1.445 ( -2.849 -1.995 -2.297) 4.168 1.575 ( -0.013 3.824 1.096) 3.978 1.723 ( 0.865 -0.160 -1.267) 1.542 1.733 ( -0.871 0.160 -1.052) 1.375 1.794 ( 0.909 -0.695 0.613) 1.298 2.035 ( -0.038 2.484 -3.944) 4.661 2.177 ( -0.701 -3.194 -1.794) 3.730 2.524 ( -4.194 1.948 -1.843) 4.978 2.616 ( -0.664 -0.685 -5.029) 5.119 3.108 ( -5.793 16.877 -0.886) 17.865 3.769 ( 4.832 -12.350 5.713) 14.440 5.918 ( -4.976 1.651 -2.775) 5.932 6.070 ( -1.566 3.342 5.328) 6.481 6.103 ( -0.079 -6.233 -5.492) 8.308 6.233 ( -1.213 -3.534 0.886) 3.840 6.855 ( 0.557 7.913 -1.398) 8.055 7.092 ( 3.521 -2.116 -3.251) 5.238 8.274 ( -4.674 4.381 5.111) 8.195 8.532 ( -7.253 -5.734 8.682) 12.683 8.795 ( -0.738 3.015 -1.892) 3.635 8.893 ( 0.583 -1.206 1.179) 1.784 9.724 ( -0.225 -0.757 -3.059) 3.159 9.732 ( 0.183 -0.932 -5.185) 5.271 ======================= Grid point 309 (169/212) ======================= q-point: (-0.23 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 2.128 5.212 0.973) 5.713 0.745 ( -0.977 -2.441 2.442) 3.588 0.893 ( -1.921 3.813 5.680) 7.105 0.977 ( -3.352 4.033 7.284) 8.975 1.112 ( -2.775 -3.441 1.026) 4.538 1.251 ( -1.896 -5.775 -1.297) 6.216 1.306 ( -1.166 1.223 1.391) 2.188 1.381 ( -2.842 -1.712 0.981) 3.459 1.563 ( -1.399 4.559 0.387) 4.784 1.662 ( -2.452 1.092 -3.601) 4.492 1.783 ( 2.763 -1.978 0.856) 3.504 1.829 ( 2.642 -2.840 -2.744) 4.751 1.999 ( -0.909 4.605 -1.973) 5.092 2.143 ( -1.449 -2.233 -1.810) 3.219 2.414 ( -5.739 2.651 0.293) 6.329 2.551 ( -3.367 -2.869 -3.211) 5.467 3.071 ( 1.484 20.300 0.516) 20.361 3.868 ( 2.316 -15.220 3.159) 15.716 5.769 ( -7.197 3.705 -2.805) 8.567 6.031 ( -3.766 -7.938 -3.523) 9.466 6.093 ( -0.761 3.281 3.874) 5.134 6.221 ( -1.283 -1.911 -0.030) 2.302 6.871 ( 2.110 6.828 -0.539) 7.167 7.124 ( 2.310 -3.994 -3.920) 6.055 8.242 ( -2.264 4.636 5.207) 7.330 8.458 ( -5.958 -4.176 7.592) 10.516 8.748 ( -2.347 4.557 -1.503) 5.342 8.919 ( 1.125 -3.079 0.200) 3.284 9.684 ( -1.199 -0.554 -3.391) 3.639 9.707 ( -0.123 -1.531 -4.097) 4.375 ======================= Grid point 310 (170/212) ======================= q-point: (-0.15 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 2.777 5.918 1.570) 6.723 0.755 ( -0.271 1.379 5.566) 5.741 0.871 ( -2.849 2.058 1.791) 3.945 1.003 ( -0.277 4.332 8.479) 9.526 1.041 ( -4.397 -4.668 2.586) 6.915 1.229 ( 0.134 -2.382 -2.013) 3.122 1.288 ( -2.557 1.360 2.098) 3.576 1.358 ( -1.145 -3.935 2.853) 4.993 1.536 ( -1.509 3.596 -1.426) 4.153 1.610 ( -0.377 1.180 -2.268) 2.584 1.779 ( -3.336 2.795 -2.899) 5.229 1.858 ( 3.454 -3.360 -2.024) 5.226 2.027 ( 3.235 2.008 1.759) 4.194 2.109 ( -0.828 -1.010 -1.262) 1.816 2.337 ( -3.514 1.767 3.142) 5.034 2.477 ( -2.527 -3.422 0.517) 4.286 3.138 ( 4.558 18.535 0.412) 19.092 3.884 ( -1.785 -14.411 -0.219) 14.522 5.637 ( -5.390 4.739 -0.567) 7.200 5.928 ( -4.712 -7.650 -3.239) 9.551 6.079 ( -2.423 2.627 2.035) 4.112 6.174 ( -2.848 -1.122 -1.743) 3.522 6.932 ( 4.126 4.945 0.575) 6.466 7.136 ( 1.728 -3.747 -3.760) 5.582 8.249 ( -0.662 3.461 4.690) 5.866 8.406 ( -4.406 -3.065 6.226) 8.220 8.706 ( -0.866 5.567 -1.216) 5.763 8.927 ( -0.247 -3.996 -0.754) 4.074 9.640 ( -1.469 -0.414 -2.232) 2.704 9.673 ( -0.731 -1.681 -3.831) 4.247 ======================= Grid point 311 (171/212) ======================= q-point: (-0.08 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 3.770 6.936 1.899) 8.119 0.801 ( -2.104 4.933 7.116) 8.911 0.833 ( 1.360 1.776 0.443) 2.280 1.010 ( -1.776 -4.801 5.635) 7.613 1.051 ( 1.008 3.414 4.572) 5.794 1.208 ( -2.258 -0.467 -0.233) 2.317 1.246 ( -1.789 -0.185 -0.136) 1.804 1.361 ( -0.750 -6.125 3.198) 6.950 1.480 ( -1.981 2.900 -4.794) 5.943 1.606 ( 0.216 -0.728 -2.731) 2.834 1.722 ( -0.677 4.171 1.767) 4.580 1.893 ( 1.320 -4.788 -2.750) 5.677 2.083 ( 1.054 1.218 1.107) 1.955 2.104 ( 0.469 0.546 -0.130) 0.731 2.328 ( 0.096 2.653 5.532) 6.136 2.487 ( 2.462 -3.717 2.286) 5.011 3.234 ( 4.901 14.004 1.819) 14.948 3.795 ( -6.380 -10.490 -3.440) 12.751 5.568 ( -2.206 4.688 1.857) 5.504 5.813 ( -5.410 -4.547 -2.812) 7.606 6.047 ( -1.003 0.442 -0.346) 1.149 6.110 ( -1.783 -1.496 -2.909) 3.725 7.023 ( 4.794 3.047 0.520) 5.704 7.143 ( 1.247 -1.667 -2.829) 3.512 8.268 ( -0.602 1.782 4.334) 4.724 8.374 ( -2.217 -1.950 3.770) 4.789 8.705 ( 1.208 4.475 -0.190) 4.639 8.899 ( -1.841 -3.558 -1.689) 4.348 9.602 ( -1.516 -0.362 -0.970) 1.836 9.633 ( -1.125 -1.422 -2.897) 3.418 ======================= Grid point 312 (172/212) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 1.176 -1.796 0.386) 2.182 0.835 ( 1.176 1.796 0.386) 2.182 0.979 ( 2.835 -3.452 6.724) 8.073 0.979 ( 2.835 3.452 6.724) 8.073 1.154 ( -1.146 -3.075 -1.674) 3.684 1.154 ( -1.146 3.075 -1.674) 3.684 1.231 ( -0.144 -4.913 4.030) 6.356 1.231 ( -0.144 4.913 4.030) 6.356 1.508 ( -0.230 -5.055 -6.708) 8.403 1.508 ( -0.230 5.055 -6.708) 8.403 1.784 ( -0.693 -2.807 -0.270) 2.904 1.784 ( -0.693 2.807 -0.270) 2.904 2.111 ( -0.505 -0.467 0.679) 0.967 2.111 ( -0.505 0.467 0.679) 0.967 2.499 ( 4.793 -3.900 3.173) 6.946 2.499 ( 4.793 3.900 3.173) 6.946 3.494 ( -2.720 -6.499 0.256) 7.050 3.494 ( -2.720 6.499 0.256) 7.050 5.651 ( -1.534 -3.303 1.484) 3.933 5.651 ( -1.534 3.303 1.484) 3.933 6.045 ( 1.367 -0.939 -4.053) 4.379 6.045 ( 1.367 0.939 -4.053) 4.379 7.139 ( 2.468 -1.083 -1.564) 3.116 7.139 ( 2.468 1.083 -1.564) 3.116 8.326 ( -0.420 -2.661 4.643) 5.368 8.326 ( -0.420 2.661 4.643) 5.368 8.790 ( -0.387 -2.740 -2.111) 3.480 8.790 ( -0.387 2.740 -2.111) 3.480 9.576 ( -1.053 -0.715 -0.731) 1.468 9.576 ( -1.053 0.715 -0.731) 1.468 ======================= Grid point 314 (173/212) ======================= q-point: ( 0.08 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.696 -2.581 -0.620) 2.744 0.857 ( 0.696 2.581 -0.620) 2.744 1.028 ( -0.580 -2.013 1.481) 2.566 1.028 ( -0.580 2.013 1.481) 2.566 1.165 ( 3.380 -6.777 2.042) 7.844 1.165 ( 3.380 6.777 2.042) 7.844 1.280 ( 1.681 -3.394 3.465) 5.134 1.280 ( 1.681 3.394 3.465) 5.134 1.475 ( 1.561 -5.973 -6.435) 8.917 1.475 ( 1.561 5.973 -6.435) 8.917 1.769 ( -1.026 -1.269 0.498) 1.706 1.769 ( -1.026 1.269 0.498) 1.706 2.102 ( -0.900 -0.665 0.687) 1.313 2.102 ( -0.900 0.665 0.687) 1.313 2.586 ( 3.527 -2.724 -2.135) 4.942 2.586 ( 3.527 2.724 -2.135) 4.942 3.452 ( -2.411 -3.827 2.601) 5.218 3.452 ( -2.411 3.827 2.601) 5.218 5.645 ( -0.398 -1.238 2.175) 2.534 5.645 ( -0.398 1.238 2.175) 2.534 6.082 ( 5.179 -0.867 -3.919) 6.552 6.082 ( 5.179 0.867 -3.919) 6.552 7.156 ( 0.927 -0.643 -3.240) 3.430 7.156 ( 0.927 0.643 -3.240) 3.430 8.364 ( 1.307 -3.112 4.734) 5.814 8.364 ( 1.307 3.112 4.734) 5.814 8.767 ( -0.668 -2.495 -1.777) 3.135 8.767 ( -0.668 2.495 -1.777) 3.135 9.561 ( -0.314 -0.670 0.084) 0.745 9.561 ( -0.314 0.670 0.084) 0.745 ======================= Grid point 316 (174/212) ======================= q-point: ( 0.15 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -1.434 -3.366 -3.343) 4.956 0.835 ( -1.434 3.366 -3.343) 4.956 1.044 ( 2.105 -2.914 0.030) 3.594 1.044 ( 2.105 2.914 0.030) 3.594 1.255 ( 3.881 -6.391 0.493) 7.493 1.255 ( 3.881 6.391 0.493) 7.493 1.319 ( 0.611 -1.679 3.240) 3.700 1.319 ( 0.611 1.679 3.240) 3.700 1.494 ( 3.701 -4.426 -3.850) 6.936 1.494 ( 3.701 4.426 -3.850) 6.936 1.755 ( -0.861 -2.504 0.964) 2.818 1.755 ( -0.861 2.504 0.964) 2.818 2.087 ( -0.966 -0.675 0.087) 1.182 2.087 ( -0.966 0.675 0.087) 1.182 2.601 ( 1.071 -3.158 -5.837) 6.722 2.601 ( 1.071 3.158 -5.837) 6.722 3.442 ( -1.051 -12.652 3.989) 13.307 3.442 ( -1.051 12.652 3.989) 13.307 5.664 ( 0.639 -4.885 2.802) 5.668 5.664 ( 0.639 4.885 2.802) 5.668 6.180 ( 7.298 -1.222 -3.104) 8.024 6.180 ( 7.298 1.222 -3.104) 8.024 7.131 ( -0.663 -1.784 -5.171) 5.510 7.131 ( -0.663 1.784 -5.171) 5.510 8.433 ( 2.350 -3.518 5.528) 6.961 8.433 ( 2.350 3.518 5.528) 6.961 8.743 ( -0.768 -5.665 -1.541) 5.921 8.743 ( -0.768 5.665 -1.541) 5.921 9.568 ( 0.997 -0.907 0.237) 1.368 9.568 ( 0.997 0.907 0.237) 1.368 ======================= Grid point 318 (175/212) ======================= q-point: ( 0.23 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -1.781 -3.123 -4.959) 6.125 0.776 ( -1.781 3.123 -4.959) 6.125 1.089 ( 2.064 -2.779 0.639) 3.520 1.089 ( 2.064 2.779 0.639) 3.520 1.276 ( 0.350 -3.938 -3.283) 5.139 1.276 ( 0.350 3.938 -3.283) 5.139 1.380 ( 2.730 -1.490 2.650) 4.086 1.380 ( 2.730 1.490 2.650) 4.086 1.554 ( 4.523 -3.992 -1.477) 6.211 1.554 ( 4.523 3.992 -1.477) 6.211 1.753 ( -0.010 -4.014 1.068) 4.154 1.753 ( -0.010 4.014 1.068) 4.154 2.067 ( -0.862 -0.805 -0.699) 1.371 2.067 ( -0.862 0.805 -0.699) 1.371 2.571 ( 0.042 -3.968 -5.209) 6.548 2.571 ( 0.042 3.968 -5.209) 6.548 3.455 ( -0.114 -17.818 3.009) 18.071 3.455 ( -0.114 17.818 3.009) 18.071 5.704 ( 1.385 -6.786 3.671) 7.839 5.704 ( 1.385 6.786 3.671) 7.839 6.299 ( 6.834 -0.662 -3.137) 7.548 6.299 ( 6.834 0.662 -3.137) 7.548 7.073 ( -1.359 -2.194 -5.884) 6.425 7.073 ( -1.359 2.194 -5.884) 6.425 8.514 ( 1.589 -3.168 7.235) 8.056 8.514 ( 1.589 3.168 7.235) 8.056 8.722 ( 0.030 -8.764 -2.210) 9.038 8.722 ( 0.030 8.764 -2.210) 9.038 9.601 ( 2.423 -1.352 -0.366) 2.798 9.601 ( 2.423 1.352 -0.366) 2.798 ======================= Grid point 320 (176/212) ======================= q-point: ( 0.31 -0.50 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -2.686 -2.204 -5.119) 6.187 0.702 ( -2.686 2.204 -5.119) 6.187 1.125 ( 1.457 -2.017 0.124) 2.491 1.125 ( 1.457 2.017 0.124) 2.491 1.256 ( -0.636 -2.564 -1.447) 3.012 1.256 ( -0.636 2.564 -1.447) 3.012 1.429 ( 2.190 -1.211 -1.347) 2.842 1.429 ( 2.190 1.211 -1.347) 2.842 1.644 ( 5.102 -4.205 0.072) 6.612 1.644 ( 5.102 4.205 0.072) 6.612 1.761 ( 0.265 -3.521 0.051) 3.531 1.761 ( 0.265 3.521 0.051) 3.531 2.048 ( -0.587 -1.719 -0.748) 1.964 2.048 ( -0.587 1.719 -0.748) 1.964 2.547 ( 0.123 -3.582 -2.323) 4.272 2.547 ( 0.123 3.582 -2.323) 4.272 3.473 ( 0.637 -18.366 1.305) 18.423 3.473 ( 0.637 18.366 1.305) 18.423 5.759 ( 1.584 -7.250 4.504) 8.681 5.759 ( 1.584 7.250 4.504) 8.681 6.380 ( 4.191 -1.606 -4.847) 6.605 6.380 ( 4.191 1.606 -4.847) 6.605 7.017 ( -0.797 -2.493 -4.705) 5.384 7.017 ( -0.797 2.493 -4.705) 5.384 8.571 ( -1.665 -1.694 9.607) 9.897 8.571 ( -1.665 1.694 9.607) 9.897 8.726 ( 2.593 -10.262 -3.654) 11.197 8.726 ( 2.593 10.262 -3.654) 11.197 9.650 ( 3.294 -1.768 -1.501) 4.029 9.650 ( 3.294 1.768 -1.501) 4.029 ======================= Grid point 322 (177/212) ======================= q-point: ( 0.38 -0.50 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -2.843 -0.240 -4.675) 5.477 0.615 ( -2.843 0.240 -4.675) 5.477 1.147 ( 1.159 -1.944 -1.211) 2.567 1.147 ( 1.159 1.944 -1.211) 2.567 1.238 ( -1.257 -1.485 1.770) 2.630 1.238 ( -1.257 1.485 1.770) 2.630 1.454 ( 2.120 -2.661 -3.412) 4.819 1.454 ( 2.120 2.661 -3.412) 4.819 1.719 ( 2.027 -2.452 -0.743) 3.267 1.719 ( 2.027 2.452 -0.743) 3.267 1.770 ( 1.168 -3.166 0.489) 3.410 1.770 ( 1.168 3.166 0.489) 3.410 2.038 ( 0.127 -1.494 -0.780) 1.691 2.038 ( 0.127 1.494 -0.780) 1.691 2.547 ( 0.691 -3.104 -0.193) 3.186 2.547 ( 0.691 3.104 -0.193) 3.186 3.495 ( 1.030 -15.024 0.308) 15.062 3.495 ( 1.030 15.024 0.308) 15.062 5.817 ( 1.312 -6.896 4.611) 8.399 5.817 ( 1.312 6.896 4.611) 8.399 6.394 ( 1.466 -2.250 -6.522) 7.054 6.394 ( 1.466 2.250 -6.522) 7.054 6.986 ( -0.004 -2.749 -2.996) 4.066 6.986 ( -0.004 2.749 -2.996) 4.066 8.576 ( -3.959 -1.255 9.590) 10.451 8.576 ( -3.959 1.255 9.590) 10.451 8.768 ( 3.659 -8.648 -2.753) 9.785 8.768 ( 3.659 8.648 -2.753) 9.785 9.699 ( 3.283 -1.975 -2.764) 4.724 9.699 ( 3.283 1.975 -2.764) 4.724 ======================= Grid point 324 (178/212) ======================= q-point: ( 0.46 -0.50 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -0.516 -2.329 -4.118) 4.759 0.552 ( -0.516 2.329 -4.118) 4.759 1.142 ( -1.410 -0.651 -0.243) 1.572 1.142 ( -1.410 0.651 -0.243) 1.572 1.236 ( -0.470 -2.162 2.909) 3.655 1.236 ( -0.470 2.162 2.909) 3.655 1.459 ( 1.082 -5.635 -4.842) 7.507 1.459 ( 1.082 5.635 -4.842) 7.507 1.715 ( -0.988 -0.657 -0.724) 1.389 1.715 ( -0.988 0.657 -0.724) 1.389 1.803 ( 0.660 -1.118 2.127) 2.492 1.803 ( 0.660 1.118 2.127) 2.492 2.047 ( 1.878 -1.186 -2.060) 3.029 2.047 ( 1.878 1.186 -2.060) 3.029 2.568 ( 1.537 -3.275 -0.025) 3.618 2.568 ( 1.537 3.275 -0.025) 3.618 3.510 ( 0.191 -8.921 0.224) 8.926 3.510 ( 0.191 8.921 0.224) 8.926 5.868 ( 1.338 -6.142 3.648) 7.268 5.868 ( 1.338 6.142 3.648) 7.268 6.362 ( -0.446 -1.145 -6.099) 6.222 6.362 ( -0.446 1.145 -6.099) 6.222 6.974 ( 0.564 -2.419 -2.341) 3.413 6.974 ( 0.564 2.419 -2.341) 3.413 8.553 ( -4.814 -2.003 9.032) 10.429 8.553 ( -4.814 2.003 9.032) 10.429 8.816 ( 2.673 -6.436 -1.500) 7.129 8.816 ( 2.673 6.436 -1.500) 7.129 9.734 ( 2.593 -1.908 -3.757) 4.947 9.734 ( 2.593 1.909 -3.757) 4.947 ======================= Grid point 326 (179/212) ======================= q-point: (-0.46 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 2.271 -4.471 -3.590) 6.167 0.546 ( 2.271 4.471 -3.590) 6.167 1.092 ( -4.195 -1.037 1.957) 4.744 1.092 ( -4.195 1.037 1.957) 4.744 1.250 ( -0.525 -2.027 3.017) 3.673 1.250 ( -0.525 2.027 3.017) 3.673 1.433 ( -0.202 -6.220 -5.333) 8.196 1.433 ( -0.202 6.220 -5.333) 8.196 1.689 ( -1.528 -1.550 0.640) 2.269 1.689 ( -1.528 1.550 0.640) 2.269 1.815 ( -0.814 -0.438 1.861) 2.078 1.815 ( -0.814 0.438 1.861) 2.078 2.076 ( 2.695 -3.137 -3.082) 5.158 2.076 ( 2.695 3.137 -3.082) 5.158 2.599 ( 2.024 -3.424 -1.404) 4.218 2.599 ( 2.024 3.424 -1.404) 4.218 3.500 ( -1.527 -1.686 0.778) 2.404 3.500 ( -1.527 1.686 0.778) 2.404 5.920 ( 2.320 -5.223 2.307) 6.163 5.920 ( 2.320 5.223 2.307) 6.163 6.299 ( -2.662 -0.886 -4.508) 5.310 6.299 ( -2.662 0.886 -4.508) 5.310 6.978 ( 1.406 -2.866 -2.327) 3.951 6.978 ( 1.406 2.866 -2.327) 3.951 8.511 ( -5.691 -4.718 8.844) 11.526 8.511 ( -5.691 4.718 8.844) 11.526 8.846 ( 1.425 -4.686 -1.009) 5.001 8.846 ( 1.425 4.686 -1.009) 5.001 9.748 ( 1.609 -1.526 -4.254) 4.797 9.748 ( 1.609 1.526 -4.254) 4.797 ======================= Grid point 328 (180/212) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 3.111 -5.747 -2.734) 7.084 0.580 ( 3.111 5.747 -2.734) 7.084 1.024 ( -4.563 -2.158 3.892) 6.374 1.024 ( -4.563 2.158 3.892) 6.374 1.240 ( -2.829 -2.934 2.964) 5.040 1.240 ( -2.829 2.934 2.964) 5.040 1.398 ( -0.022 -0.290 -4.115) 4.126 1.398 ( -0.022 0.290 -4.115) 4.126 1.670 ( -0.917 -3.119 1.129) 3.441 1.670 ( -0.917 3.119 1.129) 3.441 1.797 ( -1.820 -0.595 0.543) 1.990 1.797 ( -1.820 0.595 0.543) 1.990 2.101 ( 1.944 -3.697 -3.186) 5.253 2.101 ( 1.944 3.697 -3.186) 5.253 2.614 ( 0.737 -2.844 -3.242) 4.375 2.614 ( 0.737 2.844 -3.242) 4.375 3.472 ( -1.958 -8.431 1.792) 8.839 3.472 ( -1.958 8.431 1.792) 8.839 5.981 ( 2.726 -4.359 0.522) 5.168 5.981 ( 2.726 4.359 0.522) 5.168 6.208 ( -4.229 -2.914 -2.238) 5.602 6.208 ( -4.229 2.914 -2.238) 5.602 6.993 ( 1.764 -4.442 -2.638) 5.459 6.993 ( 1.764 4.442 -2.638) 5.459 8.454 ( -6.264 -6.558 8.899) 12.706 8.454 ( -6.264 6.558 8.899) 12.706 8.858 ( 0.549 -3.065 -1.131) 3.313 8.858 ( 0.549 3.065 -1.131) 3.313 9.741 ( 0.613 -0.867 -4.297) 4.426 9.741 ( 0.613 0.867 -4.297) 4.426 ======================= Grid point 330 (181/212) ======================= q-point: (-0.31 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 2.377 -6.181 -1.507) 6.791 0.618 ( 2.377 6.181 -1.507) 6.791 0.985 ( -2.974 -3.610 6.181) 7.752 0.985 ( -2.974 3.610 6.181) 7.752 1.186 ( -4.008 -5.388 1.655) 6.916 1.186 ( -4.008 5.388 1.655) 6.916 1.374 ( -0.700 -3.413 -1.840) 3.940 1.374 ( -0.700 3.413 -1.840) 3.940 1.673 ( 0.150 -4.096 1.127) 4.251 1.673 ( 0.150 4.096 1.127) 4.251 1.760 ( -1.518 -1.741 -0.717) 2.419 1.760 ( -1.518 1.741 -0.717) 2.419 2.105 ( 0.512 -3.581 -3.040) 4.725 2.105 ( 0.512 3.581 -3.040) 4.725 2.574 ( -2.604 -2.583 -3.731) 5.232 2.574 ( -2.604 2.583 -3.731) 5.232 3.465 ( -0.024 -16.037 2.420) 16.218 3.465 ( -0.024 16.037 2.420) 16.218 5.984 ( -2.515 -4.571 -3.647) 6.365 5.984 ( -2.515 4.571 -3.647) 6.365 6.153 ( -0.778 -4.066 2.432) 4.801 6.153 ( -0.778 4.066 2.432) 4.801 7.005 ( 1.429 -5.937 -3.232) 6.908 7.005 ( 1.429 5.937 -3.232) 6.908 8.396 ( -5.809 -6.656 8.899) 12.540 8.396 ( -5.809 6.656 8.899) 12.540 8.854 ( 0.068 -2.433 -1.537) 2.879 8.854 ( 0.068 2.433 -1.537) 2.879 9.718 ( -0.214 -0.250 -4.062) 4.075 9.718 ( -0.214 0.250 -4.062) 4.075 ======================= Grid point 332 (182/212) ======================= q-point: (-0.23 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 2.435 -5.537 -0.533) 6.072 0.655 ( 2.435 5.537 -0.533) 6.072 0.974 ( -3.785 -3.925 7.738) 9.466 0.974 ( -3.785 3.925 7.738) 9.466 1.134 ( -1.645 -5.003 0.465) 5.287 1.134 ( -1.645 5.003 0.465) 5.287 1.346 ( -1.789 -2.070 0.546) 2.789 1.346 ( -1.789 2.070 0.546) 2.789 1.657 ( -1.860 -3.230 -1.434) 3.994 1.657 ( -1.860 3.230 -1.434) 3.994 1.765 ( 2.334 -2.255 -0.068) 3.246 1.765 ( 2.334 2.255 -0.068) 3.246 2.085 ( -0.456 -3.413 -2.415) 4.206 2.085 ( -0.456 3.413 -2.415) 4.206 2.481 ( -4.882 -3.496 -1.524) 6.195 2.481 ( -4.882 3.496 -1.524) 6.195 3.497 ( 1.680 -19.327 1.724) 19.477 3.497 ( 1.680 19.327 1.724) 19.477 5.876 ( -5.337 -6.351 -3.199) 8.891 5.876 ( -5.337 6.351 -3.199) 8.891 6.166 ( -0.627 -3.268 1.992) 3.878 6.166 ( -0.627 3.268 1.992) 3.878 7.012 ( 1.805 -6.257 -3.206) 7.259 7.012 ( 1.805 6.257 -3.206) 7.259 8.354 ( -4.554 -5.485 8.277) 10.924 8.354 ( -4.554 5.485 8.277) 10.924 8.842 ( -0.144 -4.178 -1.915) 4.598 8.842 ( -0.144 4.178 -1.915) 4.598 9.683 ( -0.771 -0.563 -3.612) 3.736 9.683 ( -0.771 0.563 -3.612) 3.736 ======================= Grid point 334 (183/212) ======================= q-point: (-0.15 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 3.879 -4.960 0.192) 6.299 0.712 ( 3.879 4.960 0.192) 6.299 0.933 ( -4.812 -4.200 6.635) 9.210 0.933 ( -4.812 4.200 6.635) 9.210 1.132 ( 0.377 -5.967 1.208) 6.099 1.132 ( 0.377 5.967 1.208) 6.099 1.313 ( -2.749 -1.137 1.995) 3.582 1.313 ( -2.749 1.137 1.995) 3.582 1.609 ( -1.406 -2.398 -3.249) 4.276 1.609 ( -1.406 2.398 -3.249) 4.276 1.805 ( 1.607 -0.842 -1.730) 2.507 1.805 ( 1.607 0.842 -1.730) 2.507 2.076 ( 0.840 -2.216 -0.148) 2.375 2.076 ( 0.840 2.216 -0.148) 2.375 2.398 ( -3.524 -3.702 2.351) 5.626 2.398 ( -3.524 3.702 2.351) 5.626 3.534 ( 1.108 -18.206 0.327) 18.243 3.534 ( 1.108 18.206 0.327) 18.243 5.764 ( -4.695 -7.199 -1.364) 8.702 5.764 ( -4.695 7.199 -1.364) 8.702 6.138 ( -2.688 -2.404 -0.513) 3.642 6.138 ( -2.688 2.404 -0.513) 3.642 7.040 ( 2.983 -5.067 -2.111) 6.248 7.040 ( 2.983 5.067 -2.111) 6.248 8.329 ( -3.289 -3.934 6.879) 8.580 8.329 ( -3.289 3.934 6.879) 8.580 8.826 ( -0.162 -5.451 -2.125) 5.853 8.826 ( -0.162 5.451 -2.125) 5.853 9.644 ( -1.093 -0.837 -2.877) 3.189 9.644 ( -1.093 0.837 -2.877) 3.189 ======================= Grid point 336 (184/212) ======================= q-point: (-0.08 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 3.722 -4.756 0.447) 6.056 0.794 ( 3.722 4.756 0.447) 6.056 0.908 ( -1.337 -4.931 6.479) 8.251 0.908 ( -1.337 4.931 6.479) 8.251 1.152 ( 0.746 -4.913 1.454) 5.178 1.152 ( 0.746 4.913 1.454) 5.178 1.263 ( -3.830 -2.353 2.031) 4.933 1.263 ( -3.830 2.353 2.031) 4.933 1.560 ( -0.955 -3.756 -5.303) 6.568 1.560 ( -0.955 3.756 -5.303) 6.568 1.801 ( -0.327 -3.646 -1.778) 4.069 1.801 ( -0.327 3.646 -1.778) 4.069 2.104 ( 1.068 -0.602 0.632) 1.379 2.104 ( 1.068 0.602 0.632) 1.379 2.401 ( 1.533 -4.035 5.237) 6.786 2.401 ( 1.533 4.035 5.237) 6.786 3.534 ( -1.041 -13.720 -0.530) 13.770 3.534 ( -1.041 13.720 -0.530) 13.770 5.688 ( -3.038 -6.350 0.318) 7.047 5.688 ( -3.038 6.350 0.318) 7.047 6.077 ( -2.044 -1.727 -2.826) 3.892 6.077 ( -2.044 1.727 -2.826) 3.892 7.091 ( 3.310 -3.098 -1.195) 4.688 7.091 ( 3.310 3.098 -1.195) 4.688 8.318 ( -2.026 -2.819 5.414) 6.431 8.318 ( -2.026 2.819 5.414) 6.431 8.809 ( -0.188 -4.855 -2.205) 5.336 8.809 ( -0.188 4.855 -2.205) 5.336 9.607 ( -1.232 -0.848 -1.849) 2.378 9.607 ( -1.232 0.848 -1.849) 2.378 ======================= Grid point 364 (185/212) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -1.931 0.000 -1.796) 2.637 0.588 ( 1.931 0.000 1.796) 2.637 0.952 ( -0.655 0.000 -5.288) 5.329 0.952 ( 0.655 0.000 5.288) 5.329 1.123 ( -1.575 0.000 -2.254) 2.750 1.123 ( 1.575 0.000 2.254) 2.750 1.357 ( -0.282 0.000 -3.309) 3.321 1.357 ( 0.282 0.000 3.309) 3.321 1.593 ( 0.302 0.000 -0.400) 0.501 1.593 ( -0.302 0.000 0.400) 0.501 1.980 ( -1.435 0.000 -3.263) 3.564 1.980 ( 1.435 0.000 3.263) 3.564 2.060 ( 2.215 0.000 -0.852) 2.373 2.060 ( -2.215 0.000 0.852) 2.373 2.391 ( -1.385 0.000 -6.686) 6.828 2.391 ( 1.385 0.000 6.686) 6.828 3.451 ( -17.279 0.000 -12.585) 21.376 3.451 ( 17.279 0.000 12.585) 21.376 5.593 ( -5.476 0.000 -3.783) 6.656 5.593 ( 5.476 0.000 3.783) 6.656 6.124 ( -0.675 0.000 -2.531) 2.619 6.124 ( 0.675 0.000 2.531) 2.619 7.068 ( -3.531 0.000 -0.499) 3.566 7.068 ( 3.531 0.000 0.499) 3.566 8.303 ( -4.163 0.000 0.821) 4.243 8.303 ( 4.163 0.000 -0.821) 4.243 8.843 ( -6.634 0.000 -2.745) 7.180 8.843 ( 6.634 0.000 2.745) 7.180 9.601 ( -0.490 0.000 -0.087) 0.497 9.601 ( 0.490 0.000 0.087) 0.497 ======================= Grid point 366 (186/212) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 2.839 0.000 -4.838) 5.610 0.677 ( 6.471 0.000 0.310) 6.478 0.899 ( 0.057 0.000 -8.838) 8.838 0.993 ( 1.511 0.000 1.524) 2.146 1.113 ( 1.520 0.000 0.755) 1.697 1.172 ( 1.228 0.000 2.692) 2.959 1.339 ( 0.176 0.000 -2.289) 2.296 1.393 ( 1.019 0.000 3.610) 3.751 1.593 ( 0.181 0.000 0.217) 0.282 1.595 ( 0.341 0.000 -0.764) 0.836 1.887 ( -3.501 0.000 -9.457) 10.084 1.946 ( -4.637 0.000 0.427) 4.657 2.077 ( 2.322 0.000 1.036) 2.542 2.081 ( -0.728 0.000 -1.694) 1.844 2.324 ( -0.983 0.000 -3.104) 3.256 2.437 ( -0.477 0.000 4.908) 4.931 3.065 ( -14.452 0.000 -11.675) 18.578 3.839 ( 14.998 0.000 10.931) 18.558 5.508 ( -1.519 0.000 -1.261) 1.974 5.747 ( 7.449 0.000 4.891) 8.911 6.114 ( 1.350 0.000 -2.984) 3.275 6.175 ( 3.656 0.000 0.693) 3.721 6.986 ( -4.248 0.000 -2.289) 4.826 7.128 ( 2.642 0.000 0.210) 2.650 8.240 ( -2.592 0.000 -0.990) 2.774 8.389 ( 5.745 0.000 -1.474) 5.932 8.700 ( -6.686 0.000 -1.572) 6.869 8.972 ( 5.171 0.000 1.945) 5.524 9.597 ( -0.420 0.000 1.425) 1.486 9.618 ( 0.691 0.000 1.622) 1.764 ======================= Grid point 367 (187/212) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 4.037 0.000 -7.996) 8.957 0.810 ( 6.785 0.000 -0.439) 6.800 0.862 ( 2.649 0.000 -8.757) 9.149 1.030 ( 2.408 0.000 -1.808) 3.011 1.175 ( -1.986 0.000 -1.702) 2.616 1.185 ( 4.436 0.000 2.705) 5.196 1.329 ( -0.202 0.000 -0.966) 0.987 1.424 ( -0.140 0.000 2.226) 2.231 1.598 ( 0.380 0.000 -0.410) 0.559 1.598 ( -0.442 0.000 1.078) 1.166 1.777 ( 0.889 0.000 -9.602) 9.643 1.854 ( -5.158 0.000 0.623) 5.195 2.000 ( -5.427 0.000 -2.336) 5.909 2.129 ( 2.542 0.000 0.340) 2.565 2.340 ( 2.378 0.000 2.172) 3.220 2.442 ( -0.783 0.000 1.317) 1.532 2.782 ( -8.333 0.000 -9.109) 12.346 4.128 ( 9.032 0.000 6.949) 11.396 5.522 ( 2.605 0.000 1.935) 3.245 5.917 ( 7.200 0.000 3.872) 8.175 6.130 ( 1.801 0.000 -2.024) 2.709 6.266 ( 5.790 0.000 -1.113) 5.896 6.881 ( -4.293 0.000 -5.039) 6.620 7.168 ( 1.007 0.000 0.724) 1.240 8.188 ( -1.445 0.000 -3.240) 3.548 8.497 ( 6.487 0.000 -1.313) 6.618 8.592 ( -4.088 0.000 1.348) 4.305 9.056 ( 3.191 0.000 -0.281) 3.203 9.603 ( -0.377 0.000 2.720) 2.746 9.648 ( 1.002 0.000 2.643) 2.826 ======================= Grid point 368 (188/212) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 3.527 0.000 -9.611) 10.238 0.885 ( 1.025 0.000 -3.617) 3.760 0.896 ( 5.974 0.000 -6.537) 8.855 1.023 ( 0.963 0.000 -12.131) 12.169 1.138 ( 1.332 0.000 2.812) 3.112 1.289 ( 3.801 0.000 0.984) 3.926 1.320 ( -0.845 0.000 3.613) 3.710 1.423 ( -1.040 0.000 2.711) 2.903 1.607 ( 0.551 0.000 0.758) 0.937 1.612 ( 1.263 0.000 2.792) 3.064 1.767 ( -4.407 0.000 0.818) 4.482 1.769 ( -3.840 0.000 -0.214) 3.846 1.932 ( 5.120 0.000 -4.511) 6.824 2.174 ( 2.060 0.000 0.156) 2.065 2.416 ( 2.970 0.000 4.263) 5.195 2.438 ( 1.171 0.000 -2.679) 2.924 2.632 ( -2.647 0.000 -5.307) 5.931 4.255 ( 1.431 0.000 1.326) 1.951 5.623 ( 5.271 0.000 5.344) 7.506 6.058 ( 5.836 0.000 0.912) 5.907 6.151 ( 1.360 0.000 -0.660) 1.512 6.364 ( 5.247 0.000 -1.707) 5.518 6.768 ( -3.106 0.000 -7.629) 8.237 7.161 ( -2.580 0.000 0.554) 2.639 8.154 ( 0.482 0.000 -2.993) 3.031 8.576 ( 0.691 0.000 3.769) 3.831 8.605 ( 5.254 0.000 -0.556) 5.283 9.090 ( 1.787 0.000 -3.332) 3.781 9.618 ( -0.293 0.000 3.785) 3.797 9.685 ( 1.058 0.000 2.517) 2.731 ======================= Grid point 369 (189/212) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 3.484 0.000 -9.504) 10.122 0.814 ( -2.661 0.000 -5.597) 6.197 0.983 ( 6.254 0.000 -3.835) 7.337 1.003 ( 3.360 0.000 -8.571) 9.206 1.218 ( 3.696 0.000 3.214) 4.898 1.280 ( -2.356 0.000 1.000) 2.559 1.391 ( 2.096 0.000 5.909) 6.270 1.425 ( -0.540 0.000 2.029) 2.099 1.620 ( -0.886 0.000 2.311) 2.475 1.634 ( -7.556 0.000 0.074) 7.556 1.671 ( 2.081 0.000 3.229) 3.841 1.708 ( -1.895 0.000 0.391) 1.935 2.106 ( 11.505 0.000 0.723) 11.528 2.211 ( 2.127 0.000 -0.446) 2.173 2.458 ( 3.732 0.000 -5.604) 6.733 2.471 ( 0.221 0.000 1.836) 1.849 2.641 ( 5.203 0.000 3.005) 6.009 4.200 ( -5.858 0.000 -4.679) 7.498 5.774 ( 5.578 0.000 8.827) 10.442 6.141 ( 3.724 0.000 -3.287) 4.968 6.176 ( 1.680 0.000 0.022) 1.680 6.430 ( 2.494 0.000 -0.977) 2.678 6.676 ( -0.770 0.000 -9.077) 9.110 7.072 ( -6.876 0.000 -0.100) 6.877 8.184 ( 3.979 0.000 -0.580) 4.021 8.657 ( 4.444 0.000 5.033) 6.714 8.671 ( 1.395 0.000 0.554) 1.501 9.089 ( 1.706 0.000 -6.561) 6.779 9.640 ( -0.183 0.000 4.560) 4.564 9.715 ( 0.683 0.000 1.199) 1.380 ======================= Grid point 370 (190/212) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 3.366 0.000 -8.191) 8.856 0.746 ( -2.889 0.000 -0.274) 2.902 1.020 ( 4.502 0.000 -9.230) 10.269 1.062 ( 2.955 0.000 -0.168) 2.960 1.243 ( -2.181 0.000 2.135) 3.052 1.287 ( 0.969 0.000 1.955) 2.181 1.427 ( 0.993 0.000 -1.625) 1.904 1.452 ( 0.486 0.000 5.064) 5.088 1.522 ( -4.606 0.000 3.269) 5.648 1.589 ( -3.318 0.000 1.603) 3.685 1.710 ( 1.331 0.000 0.299) 1.365 1.728 ( 1.651 0.000 2.122) 2.688 2.252 ( 2.690 0.000 -1.008) 2.872 2.286 ( 4.836 0.000 1.941) 5.211 2.490 ( 0.756 0.000 3.937) 4.009 2.500 ( 4.661 0.000 -6.866) 8.298 2.858 ( 13.417 0.000 9.298) 16.324 3.984 ( -11.896 0.000 -9.703) 15.351 5.927 ( 3.037 0.000 11.972) 12.352 6.155 ( 1.639 0.000 -7.973) 8.140 6.227 ( 4.144 0.000 -0.379) 4.162 6.445 ( -0.838 0.000 0.738) 1.117 6.630 ( 2.195 0.000 -8.838) 9.106 6.917 ( -9.043 0.000 0.397) 9.052 8.288 ( 6.635 0.000 0.851) 6.689 8.657 ( -3.368 0.000 0.891) 3.484 8.791 ( 5.474 0.000 6.214) 8.281 9.072 ( 1.412 0.000 -8.500) 8.617 9.668 ( -0.128 0.000 4.822) 4.823 9.725 ( 0.260 0.000 -0.793) 0.835 ======================= Grid point 371 (191/212) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 3.549 0.000 -5.835) 6.830 0.692 ( -3.741 0.000 3.157) 4.895 1.053 ( 4.795 0.000 -8.566) 9.817 1.081 ( -2.505 0.000 5.206) 5.777 1.240 ( 0.710 0.000 1.278) 1.462 1.273 ( -1.778 0.000 -0.731) 1.922 1.457 ( 2.811 0.000 -1.979) 3.438 1.474 ( -0.733 0.000 2.880) 2.972 1.496 ( -1.010 0.000 3.865) 3.995 1.532 ( -2.659 0.000 -0.788) 2.773 1.741 ( 1.426 0.000 0.097) 1.429 1.754 ( 0.010 0.000 0.807) 0.807 2.295 ( 2.301 0.000 -0.929) 2.482 2.321 ( -0.744 0.000 0.701) 1.023 2.533 ( -0.824 0.000 6.790) 6.840 2.535 ( 3.562 0.000 -7.176) 8.011 3.234 ( 17.641 0.000 12.778) 21.783 3.643 ( -16.220 0.000 -12.712) 20.608 6.036 ( 0.250 0.000 12.879) 12.881 6.110 ( 0.565 0.000 -11.430) 11.444 6.322 ( 5.828 0.000 -0.952) 5.905 6.408 ( -3.859 0.000 1.661) 4.201 6.652 ( 5.537 0.000 -6.472) 8.517 6.757 ( -8.466 0.000 2.701) 8.886 8.429 ( 7.417 0.000 0.800) 7.460 8.565 ( -6.395 0.000 0.078) 6.396 8.926 ( 3.910 0.000 7.460) 8.423 9.024 ( -0.927 0.000 -8.472) 8.522 9.695 ( -0.129 0.000 4.275) 4.277 9.716 ( 0.121 0.000 -2.822) 2.825 ======================= Grid point 378 (192/212) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -2.696 5.106 -1.315) 5.922 0.647 ( 2.696 5.106 1.315) 5.922 0.983 ( -0.880 2.610 -5.007) 5.715 0.983 ( 0.880 2.610 5.007) 5.715 1.124 ( -1.939 0.309 -2.921) 3.520 1.124 ( 1.939 0.309 2.921) 3.520 1.333 ( 0.107 -2.120 -4.142) 4.654 1.333 ( -0.107 -2.120 4.142) 4.654 1.564 ( 0.629 -2.673 -2.600) 3.782 1.564 ( -0.629 -2.673 2.600) 3.782 1.909 ( -2.373 -5.196 -4.231) 7.109 1.909 ( 2.373 -5.196 4.231) 7.109 2.077 ( 0.297 1.333 -0.678) 1.524 2.077 ( -0.297 1.333 0.678) 1.524 2.442 ( -1.274 3.715 -6.212) 7.350 2.442 ( 1.274 3.715 6.212) 7.350 3.462 ( -15.027 0.920 -11.153) 18.736 3.462 ( 15.027 0.920 11.153) 18.736 5.610 ( -4.963 1.513 -3.743) 6.397 5.610 ( 4.963 1.513 3.743) 6.397 6.094 ( -0.286 -2.584 -2.047) 3.308 6.094 ( 0.286 -2.584 2.047) 3.308 7.082 ( -2.838 1.152 -0.822) 3.172 7.082 ( 2.838 1.152 0.822) 3.172 8.322 ( -0.115 1.673 -2.329) 2.870 8.322 ( 0.115 1.673 2.329) 2.870 8.823 ( -5.020 -1.745 -3.311) 6.261 8.823 ( 5.020 -1.745 3.311) 6.261 9.594 ( -0.055 -0.664 -0.460) 0.810 9.594 ( 0.055 -0.664 0.460) 0.810 ======================= Grid point 380 (193/212) ======================= q-point: ( 0.08 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 0.731 3.447 -3.870) 5.234 0.735 ( 5.792 4.596 -0.370) 7.403 0.912 ( -1.223 1.353 -6.390) 6.645 1.029 ( 0.717 2.664 -0.797) 2.871 1.109 ( 2.455 -0.242 0.591) 2.536 1.180 ( 1.405 0.963 2.396) 2.940 1.322 ( 0.991 -1.596 -2.307) 2.975 1.382 ( 2.100 -1.205 3.452) 4.216 1.552 ( -0.177 -3.951 -1.939) 4.404 1.575 ( 0.295 -1.602 1.461) 2.188 1.809 ( -4.140 -4.109 -6.662) 8.855 1.937 ( -1.673 -3.110 1.548) 3.856 2.070 ( 0.624 0.301 0.812) 1.068 2.086 ( -0.824 0.645 -0.593) 1.203 2.370 ( -1.362 3.696 -5.089) 6.435 2.495 ( 1.049 3.605 2.498) 4.509 3.121 ( -13.253 5.451 -9.438) 17.159 3.801 ( 12.921 -3.629 9.919) 16.689 5.532 ( -1.429 2.140 -1.228) 2.851 5.753 ( 6.748 0.319 4.999) 8.403 6.097 ( 2.069 -1.554 -2.664) 3.713 6.136 ( 3.291 -3.150 0.409) 4.574 7.009 ( -3.613 1.966 -2.586) 4.859 7.128 ( 1.753 -0.079 0.093) 1.757 8.271 ( -1.810 2.748 -1.040) 3.451 8.400 ( 5.312 0.959 -1.190) 5.528 8.698 ( -5.744 -0.047 -1.494) 5.935 8.937 ( 4.427 -3.173 2.132) 5.849 9.591 ( -0.319 -0.531 1.375) 1.508 9.609 ( 0.634 -0.811 1.511) 1.829 ======================= Grid point 381 (194/212) ======================= q-point: ( 0.15 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 1.896 0.707 -6.379) 6.692 0.823 ( 2.564 0.597 -1.638) 3.101 0.891 ( 5.017 3.014 -7.246) 9.315 1.034 ( 1.108 0.125 -1.132) 1.589 1.185 ( 0.101 0.516 1.458) 1.550 1.197 ( 3.934 1.200 -2.063) 4.601 1.332 ( 0.937 -0.210 -1.060) 1.431 1.435 ( 0.710 0.591 2.139) 2.330 1.531 ( -0.392 -4.961 -2.102) 5.402 1.584 ( -1.004 -0.777 0.743) 1.471 1.724 ( 1.267 -1.923 -3.503) 4.192 1.882 ( -3.972 0.007 -0.009) 3.972 2.024 ( -4.185 1.792 -1.998) 4.971 2.110 ( 2.354 -1.929 1.265) 3.296 2.346 ( 0.808 2.459 -1.473) 2.978 2.525 ( 1.944 3.489 -0.376) 4.011 2.860 ( -8.886 8.788 -6.308) 13.999 4.050 ( 7.496 -7.251 6.421) 12.247 5.543 ( 2.324 2.020 1.880) 3.608 5.911 ( 6.395 -1.017 4.688) 7.994 6.129 ( 2.833 -0.094 -2.630) 3.867 6.217 ( 5.229 -3.559 -1.296) 6.456 6.917 ( -3.555 2.869 -4.792) 6.620 7.149 ( 0.293 -1.672 0.417) 1.748 8.236 ( -0.492 4.255 -3.320) 5.419 8.501 ( 5.855 0.244 -1.421) 6.030 8.608 ( -3.204 1.502 1.592) 3.880 9.011 ( 2.614 -4.115 0.284) 4.884 9.599 ( -0.249 -0.382 2.625) 2.665 9.637 ( 1.001 -0.976 2.397) 2.774 ======================= Grid point 382 (195/212) ======================= q-point: ( 0.23 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 1.865 -1.264 -7.874) 8.190 0.837 ( 0.773 -2.301 -2.287) 3.335 0.956 ( 5.139 3.230 -6.982) 9.252 1.050 ( 2.297 1.303 -6.293) 6.825 1.145 ( -0.476 1.656 -1.655) 2.389 1.288 ( 3.668 -0.835 0.980) 3.888 1.339 ( 0.260 0.392 0.847) 0.969 1.437 ( -0.294 1.282 2.285) 2.636 1.523 ( -0.085 -3.349 -1.448) 3.649 1.588 ( 1.207 -1.590 3.172) 3.747 1.781 ( 1.568 0.716 0.946) 1.966 1.804 ( -3.869 0.270 0.558) 3.919 1.943 ( -0.437 2.061 -3.177) 3.812 2.168 ( 2.893 -2.615 1.184) 4.075 2.367 ( 1.712 2.143 0.623) 2.812 2.575 ( 3.438 0.987 -0.989) 3.711 2.708 ( -3.544 12.577 -3.525) 13.534 4.155 ( 0.860 -9.184 1.465) 9.339 5.635 ( 4.743 1.300 5.245) 7.190 6.043 ( 4.661 -2.256 3.022) 5.995 6.161 ( 2.206 0.991 -2.771) 3.678 6.303 ( 4.881 -3.933 -2.615) 6.792 6.822 ( -2.439 4.030 -6.281) 7.851 7.138 ( -2.123 -2.151 0.781) 3.121 8.214 ( 1.099 5.502 -3.953) 6.864 8.572 ( 2.301 -0.117 1.107) 2.556 8.629 ( 3.395 1.857 2.194) 4.448 9.040 ( 1.310 -4.583 -2.367) 5.322 9.615 ( -0.111 -0.208 3.554) 3.562 9.673 ( 1.149 -1.064 2.262) 2.751 ======================= Grid point 383 (196/212) ======================= q-point: ( 0.31 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 2.053 -2.727 -8.532) 9.189 0.802 ( -3.147 -2.251 -1.158) 4.039 0.993 ( 4.693 2.334 -8.110) 9.656 1.067 ( 4.568 3.897 -6.374) 8.757 1.161 ( 0.491 -2.212 1.742) 2.858 1.312 ( -0.011 0.578 -1.274) 1.399 1.386 ( 1.784 -1.832 5.070) 5.678 1.468 ( 1.100 2.423 3.373) 4.296 1.508 ( -0.526 -2.356 -0.640) 2.497 1.643 ( 0.826 -0.874 3.733) 3.922 1.715 ( -3.530 2.429 0.467) 4.311 1.772 ( -1.977 3.472 -0.085) 3.996 2.008 ( 6.254 -4.174 -1.053) 7.593 2.228 ( 2.482 -3.553 1.015) 4.451 2.425 ( 3.363 3.528 2.686) 5.565 2.582 ( -0.699 0.380 -2.817) 2.928 2.742 ( 7.382 12.950 1.570) 14.988 4.104 ( -5.258 -8.813 -3.760) 10.929 5.775 ( 4.864 0.163 8.627) 9.906 6.116 ( 2.117 -3.127 -0.873) 3.876 6.180 ( 1.999 0.555 -2.392) 3.166 6.359 ( 3.093 -3.984 -3.385) 6.075 6.752 ( -0.731 5.271 -5.992) 8.013 7.073 ( -5.166 -0.227 0.468) 5.193 8.240 ( 3.972 5.288 -2.346) 7.017 8.646 ( 3.878 -0.287 2.954) 4.883 8.694 ( 1.424 1.372 2.680) 3.330 9.039 ( 1.355 -4.667 -5.279) 7.176 9.640 ( 0.054 -0.042 4.102) 4.103 9.704 ( 0.851 -0.954 1.103) 1.688 ======================= Grid point 384 (197/212) ======================= q-point: ( 0.38 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 2.980 -3.844 -7.200) 8.689 0.728 ( -4.274 -2.484 0.790) 5.006 1.036 ( 4.795 2.127 -6.743) 8.543 1.110 ( 1.948 3.103 -2.139) 4.243 1.174 ( 0.904 -2.613 0.348) 2.787 1.288 ( -1.605 -1.545 -1.575) 2.728 1.447 ( 0.564 -0.935 5.793) 5.895 1.496 ( -0.364 -0.935 1.612) 1.899 1.504 ( 0.414 3.994 0.952) 4.126 1.615 ( -2.749 3.338 1.066) 4.454 1.731 ( 1.636 0.393 2.270) 2.826 1.749 ( -0.166 2.774 -0.253) 2.790 2.113 ( 5.447 -6.946 -1.387) 8.935 2.261 ( 0.192 -5.059 0.712) 5.112 2.511 ( 2.397 3.371 5.061) 6.536 2.568 ( 1.550 1.652 -3.613) 4.264 2.960 ( 12.738 9.517 6.401) 17.141 3.918 ( -10.232 -6.073 -8.115) 14.402 5.910 ( 2.303 -1.362 11.109) 11.426 6.113 ( 0.230 -3.710 -5.692) 6.799 6.220 ( 3.934 -0.576 -2.202) 4.545 6.377 ( 0.770 -3.811 -2.258) 4.496 6.721 ( 1.148 6.343 -4.478) 7.849 6.957 ( -7.011 2.863 0.254) 7.577 8.331 ( 6.440 4.034 -0.899) 7.652 8.669 ( -3.371 1.198 2.096) 4.147 8.780 ( 4.977 -1.052 4.840) 7.022 9.026 ( 1.266 -4.234 -6.928) 8.218 9.668 ( 0.098 0.030 4.162) 4.164 9.717 ( 0.406 -0.659 -0.618) 0.990 ======================= Grid point 385 (198/212) ======================= q-point: ( 0.46 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 3.880 -3.946 -5.023) 7.474 0.656 ( -4.452 -3.363 2.835) 6.258 1.081 ( 4.001 2.697 -5.590) 7.385 1.110 ( -1.825 2.549 2.849) 4.236 1.203 ( 1.576 -1.995 0.388) 2.572 1.241 ( -1.869 -2.454 -1.712) 3.528 1.472 ( -1.505 -1.086 6.379) 6.643 1.487 ( -0.028 -0.978 -2.572) 2.752 1.538 ( 2.701 5.230 -0.684) 5.925 1.579 ( -2.230 4.949 1.062) 5.531 1.757 ( 0.794 1.355 -0.238) 1.588 1.761 ( 0.220 0.840 1.025) 1.343 2.193 ( 4.085 -6.858 -1.505) 8.123 2.246 ( -2.270 -5.984 1.034) 6.483 2.566 ( 0.428 2.076 3.906) 4.444 2.580 ( 1.357 1.835 -3.151) 3.890 3.283 ( 15.072 4.400 10.133) 18.688 3.628 ( -13.782 -1.381 -10.577) 17.428 6.000 ( 0.146 -2.931 10.734) 11.128 6.065 ( -0.178 -3.830 -8.731) 9.535 6.295 ( 4.836 -1.817 -1.714) 5.443 6.358 ( -2.191 -3.106 0.141) 3.804 6.743 ( 3.800 6.625 -2.825) 8.143 6.830 ( -6.500 5.407 1.066) 8.522 8.458 ( 7.274 2.735 -0.636) 7.797 8.584 ( -6.399 1.783 1.293) 6.768 8.901 ( 3.753 -2.324 5.888) 7.359 8.987 ( -0.935 -3.385 -6.778) 7.633 9.694 ( 0.001 -0.065 3.597) 3.598 9.713 ( 0.139 -0.318 -2.344) 2.369 ======================= Grid point 392 (199/212) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -2.695 5.470 -0.776) 6.146 0.769 ( 2.695 5.470 0.776) 6.146 1.037 ( -3.667 2.181 -3.425) 5.471 1.037 ( 3.667 2.181 3.425) 5.471 1.142 ( -3.245 0.646 -3.115) 4.544 1.142 ( 3.245 0.646 3.115) 4.544 1.287 ( -0.594 -0.790 -5.930) 6.012 1.287 ( 0.594 -0.790 5.930) 6.012 1.479 ( 0.602 -5.307 -5.961) 8.004 1.479 ( -0.602 -5.307 5.961) 8.004 1.814 ( -1.276 -3.097 -2.507) 4.184 1.814 ( 1.276 -3.097 2.507) 4.184 2.106 ( 0.332 1.127 -0.439) 1.254 2.106 ( -0.332 1.127 0.439) 1.254 2.510 ( -0.863 2.284 -3.771) 4.493 2.510 ( 0.863 2.284 3.771) 4.493 3.484 ( -8.707 1.001 -6.694) 11.028 3.484 ( 8.707 1.001 6.694) 11.028 5.648 ( -3.260 1.808 -2.872) 4.706 5.648 ( 3.260 1.808 2.872) 4.706 6.032 ( -0.111 -2.842 -1.011) 3.018 6.032 ( 0.111 -2.842 1.011) 3.018 7.109 ( -1.474 1.176 -0.846) 2.066 7.109 ( 1.474 1.176 0.846) 2.066 8.363 ( 0.447 1.856 -2.955) 3.518 8.363 ( -0.447 1.856 2.955) 3.518 8.780 ( -2.217 -1.979 -3.168) 4.344 8.780 ( 2.217 -1.979 3.168) 4.344 9.578 ( 0.086 -0.675 -0.468) 0.826 9.578 ( -0.086 -0.675 0.468) 0.826 ======================= Grid point 394 (200/212) ======================= q-point: ( 0.08 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -1.854 5.691 -3.004) 6.697 0.826 ( 2.403 2.751 -0.471) 3.683 0.955 ( -0.768 2.651 -5.582) 6.227 1.052 ( -2.757 -1.087 -1.298) 3.235 1.123 ( 3.462 1.805 1.491) 4.179 1.233 ( 2.111 3.984 -2.558) 5.184 1.273 ( 3.685 -2.989 -2.925) 5.574 1.352 ( 1.980 -0.675 5.751) 6.119 1.447 ( 0.051 -5.142 -3.060) 5.984 1.522 ( 1.226 -3.678 3.907) 5.504 1.763 ( -2.336 -0.311 -2.065) 3.134 1.843 ( 0.071 -4.343 2.091) 4.821 2.093 ( -0.884 1.280 0.390) 1.604 2.103 ( -0.924 0.758 -0.263) 1.224 2.449 ( -1.195 3.466 -5.690) 6.769 2.537 ( 1.023 0.135 -2.111) 2.350 3.289 ( -7.902 9.794 -3.654) 13.104 3.686 ( 7.350 -7.173 6.920) 12.384 5.596 ( -0.861 3.795 -0.735) 3.960 5.745 ( 4.251 -1.550 3.956) 6.010 6.053 ( 3.215 -2.016 -1.169) 3.971 6.075 ( 3.825 -2.263 -0.008) 4.444 7.058 ( -2.618 2.337 -2.699) 4.427 7.122 ( -0.080 -0.549 -0.653) 0.856 8.342 ( 0.318 3.615 -1.596) 3.964 8.418 ( 4.127 0.414 -0.952) 4.256 8.706 ( -3.395 1.126 -0.553) 3.619 8.849 ( 2.331 -4.718 2.437) 5.800 9.579 ( -0.088 -0.476 1.276) 1.365 9.589 ( 0.468 -0.902 1.284) 1.638 ======================= Grid point 395 (201/212) ======================= q-point: ( 0.15 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -1.624 3.824 -4.645) 6.232 0.818 ( -1.304 -1.469 -2.496) 3.176 0.974 ( 5.317 4.124 -5.454) 8.662 1.031 ( 1.144 -0.144 -0.631) 1.314 1.180 ( 1.465 -0.620 1.406) 2.123 1.224 ( 1.546 0.322 -7.407) 7.573 1.328 ( 2.334 0.575 -0.810) 2.537 1.407 ( 1.147 -3.025 -0.610) 3.292 1.465 ( 2.449 -0.343 2.810) 3.743 1.575 ( 1.526 -1.302 2.278) 3.035 1.720 ( -0.840 1.645 1.109) 2.155 1.840 ( -1.405 -3.206 0.659) 3.562 2.061 ( -2.647 1.527 -1.512) 3.409 2.086 ( -0.154 -0.176 0.928) 0.957 2.414 ( 1.144 3.338 -4.388) 5.631 2.535 ( 1.445 -1.752 -4.389) 4.942 3.148 ( -5.513 16.659 -0.862) 17.568 3.831 ( 3.705 -13.158 4.870) 14.511 5.609 ( 1.852 4.291 1.950) 5.064 5.848 ( 3.767 -5.094 4.245) 7.626 6.127 ( 5.228 0.159 -2.323) 5.723 6.163 ( 5.374 -1.328 -0.773) 5.589 6.983 ( -2.827 3.120 -4.059) 5.848 7.103 ( -1.220 -2.541 -0.788) 2.927 8.349 ( 2.126 5.858 -3.918) 7.361 8.498 ( 5.071 -0.796 -2.391) 5.663 8.658 ( -2.044 3.372 2.772) 4.820 8.894 ( 0.946 -6.541 1.840) 6.860 9.591 ( 0.094 -0.239 2.345) 2.359 9.612 ( 0.893 -1.176 2.005) 2.490 ======================= Grid point 396 (202/212) ======================= q-point: ( 0.23 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -0.741 2.157 -5.144) 5.626 0.776 ( -1.571 -3.771 -2.057) 4.574 1.030 ( 3.865 3.750 -6.201) 8.213 1.073 ( 3.331 1.440 -0.841) 3.725 1.181 ( -0.801 0.135 -2.731) 2.850 1.230 ( 3.733 -3.469 -3.541) 6.205 1.348 ( 0.295 1.022 -1.487) 1.829 1.415 ( 1.303 -1.778 -1.754) 2.817 1.543 ( 2.803 1.487 3.911) 5.036 1.597 ( 1.127 3.134 0.513) 3.370 1.748 ( 0.288 -2.369 3.375) 4.133 1.808 ( -1.223 -0.494 -0.673) 1.481 2.003 ( -1.738 2.964 -1.685) 3.826 2.103 ( 0.956 -2.528 1.815) 3.256 2.434 ( 2.823 3.060 -1.274) 4.354 2.544 ( 1.780 -2.400 -2.638) 3.986 3.074 ( -1.736 19.808 -0.015) 19.884 3.883 ( -0.284 -15.984 1.592) 16.066 5.685 ( 3.547 3.556 4.920) 7.031 5.937 ( 2.684 -7.002 4.287) 8.638 6.195 ( 3.821 1.996 -4.584) 6.292 6.253 ( 4.924 -1.022 -2.476) 5.606 6.909 ( -1.953 3.970 -4.119) 6.046 7.074 ( -1.562 -3.657 0.355) 3.992 8.367 ( 3.178 8.186 -6.108) 10.697 8.567 ( 4.120 -0.684 -2.267) 4.752 8.676 ( 0.893 2.649 5.146) 5.856 8.908 ( -0.168 -7.394 0.622) 7.422 9.612 ( 0.378 0.052 2.930) 2.954 9.646 ( 1.212 -1.379 1.947) 2.676 ======================= Grid point 397 (203/212) ======================= q-point: ( 0.31 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -0.580 1.070 -5.366) 5.502 0.724 ( -3.463 -4.667 -0.191) 5.815 1.045 ( 2.798 2.287 -6.020) 7.021 1.131 ( 2.395 1.606 -1.148) 3.104 1.157 ( 1.762 0.794 -4.759) 5.136 1.297 ( 3.424 -2.878 -0.694) 4.526 1.330 ( -0.583 -0.197 0.050) 0.618 1.436 ( 1.562 -2.078 -0.794) 2.718 1.593 ( 1.174 4.974 -0.049) 5.111 1.656 ( 3.083 2.442 3.733) 5.423 1.734 ( -1.357 -0.910 -0.577) 1.733 1.801 ( -0.134 -0.675 -0.031) 0.689 1.989 ( 0.654 2.089 0.109) 2.192 2.134 ( 0.617 -4.264 2.213) 4.843 2.497 ( 3.211 2.367 1.845) 4.395 2.559 ( 0.699 -1.565 -0.450) 1.772 3.093 ( 3.693 18.518 0.568) 18.892 3.846 ( -3.381 -15.050 -1.768) 15.526 5.793 ( 3.279 1.950 7.643) 8.542 5.998 ( 0.940 -6.866 3.458) 7.745 6.212 ( 2.223 2.289 -6.201) 6.974 6.305 ( 3.044 -1.749 -4.961) 6.077 6.864 ( -0.445 5.186 -2.600) 5.818 7.045 ( -2.231 -2.578 1.010) 3.556 8.396 ( 4.289 8.900 -6.068) 11.594 8.642 ( 4.792 -0.667 -0.282) 4.846 8.721 ( -0.340 1.284 4.742) 4.925 8.904 ( 0.151 -7.469 -0.944) 7.530 9.641 ( 0.604 0.283 3.005) 3.078 9.679 ( 1.113 -1.307 1.165) 2.075 ======================= Grid point 398 (204/212) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 0.394 -0.609 -4.592) 4.649 0.647 ( -4.891 -4.606 1.499) 6.884 1.074 ( 3.550 0.910 -4.098) 5.498 1.142 ( 2.132 -0.348 -3.180) 3.844 1.188 ( 1.391 2.837 -0.736) 3.244 1.281 ( -0.771 2.618 -3.872) 4.738 1.383 ( 1.267 -4.312 5.694) 7.254 1.449 ( 0.325 -3.200 -1.481) 3.541 1.609 ( 1.819 5.168 -1.590) 5.705 1.704 ( -0.657 2.831 0.226) 2.915 1.742 ( 2.337 1.336 2.443) 3.636 1.799 ( 0.172 1.259 -0.086) 1.273 2.017 ( 2.209 -1.499 -0.414) 2.701 2.144 ( -1.212 -5.356 2.135) 5.892 2.558 ( 0.471 0.757 4.320) 4.411 2.571 ( 1.705 -0.501 -1.167) 2.126 3.215 ( 7.762 13.391 2.706) 15.713 3.741 ( -5.568 -10.286 -4.381) 12.490 5.889 ( 0.966 -0.146 8.490) 8.546 6.010 ( -0.970 -5.315 0.231) 5.408 6.224 ( 3.375 1.166 -5.214) 6.320 6.313 ( 1.434 -2.514 -4.528) 5.374 6.856 ( 0.761 5.967 -1.139) 6.122 6.997 ( -3.457 0.241 0.566) 3.511 8.456 ( 5.643 7.488 -4.696) 10.486 8.707 ( -4.000 1.937 4.586) 6.386 8.740 ( 5.222 -2.606 0.064) 5.837 8.906 ( 0.573 -6.532 -1.552) 6.739 9.671 ( 0.544 0.293 2.676) 2.746 9.700 ( 0.686 -0.926 0.007) 1.152 ======================= Grid point 399 (205/212) ======================= q-point: ( 0.46 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 2.542 -2.755 -3.533) 5.151 0.570 ( -4.434 -4.134 2.648) 6.615 1.120 ( 3.358 0.148 -2.024) 3.923 1.165 ( -0.783 -2.030 -0.748) 2.301 1.193 ( 1.703 5.092 0.196) 5.372 1.242 ( -1.800 3.894 -1.687) 4.610 1.424 ( -1.112 -3.643 6.764) 7.762 1.438 ( 1.093 -3.310 -5.113) 6.188 1.646 ( 2.598 4.264 -1.054) 5.103 1.683 ( -1.748 3.292 0.504) 3.762 1.789 ( 1.182 2.364 1.048) 2.844 1.802 ( -0.065 2.449 0.068) 2.451 2.065 ( 3.433 -4.511 -1.704) 5.919 2.116 ( -3.061 -5.633 2.099) 6.746 2.581 ( 0.599 -0.436 1.225) 1.432 2.591 ( 0.095 -0.523 0.229) 0.579 3.399 ( 8.583 5.919 4.929) 11.532 3.586 ( -7.362 -2.622 -5.578) 9.602 5.940 ( -0.130 -2.116 6.295) 6.642 5.978 ( -0.916 -3.719 -3.396) 5.119 6.268 ( 3.281 -0.547 -2.084) 3.925 6.304 ( -0.643 -2.009 -1.262) 2.459 6.877 ( 2.116 5.377 -0.451) 5.796 6.930 ( -3.545 3.277 0.192) 4.831 8.543 ( 6.275 5.090 -3.670) 8.874 8.636 ( -5.841 2.828 3.575) 7.409 8.833 ( 3.914 -3.758 0.913) 5.502 8.891 ( -1.395 -5.222 -1.317) 5.563 9.694 ( 0.218 0.038 2.052) 2.064 9.704 ( 0.208 -0.411 -1.144) 1.233 ======================= Grid point 406 (206/212) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -0.000 0.000 0.000) 0.000 0.835 ( 0.000 0.000 0.000) 0.000 1.080 ( -0.000 0.000 -0.000) 0.000 1.080 ( 0.000 0.000 0.000) 0.000 1.116 ( -0.000 -0.000 -0.000) 0.000 1.116 ( 0.000 0.000 0.000) 0.000 1.341 ( 0.000 -0.000 -0.000) 0.000 1.341 ( 0.000 0.000 0.000) 0.000 1.366 ( -0.000 0.000 0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.783 ( -0.000 0.000 0.000) 0.000 1.783 ( 0.000 0.000 0.000) 0.000 2.118 ( -0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.534 ( -0.000 0.000 0.000) 0.000 2.534 ( 0.000 0.000 0.000) 0.000 3.496 ( -0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 5.671 ( -0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.997 ( -0.000 0.000 -0.000) 0.000 5.997 ( 0.000 0.000 0.000) 0.000 7.123 ( -0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 8.385 ( -0.000 0.000 -0.000) 0.000 8.385 ( -0.000 0.000 0.000) 0.000 8.756 ( 0.000 0.000 -0.000) 0.000 8.756 ( 0.000 0.000 0.000) 0.000 9.570 ( -0.000 0.000 0.000) 0.000 9.570 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 410 (207/212) ======================= q-point: ( 0.08 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -1.533 -3.192 -2.072) 4.103 0.820 ( -1.533 3.192 -2.072) 4.103 1.010 ( -1.011 -2.322 -2.922) 3.867 1.010 ( -1.011 2.322 -2.922) 3.867 1.187 ( 2.914 -4.138 -0.969) 5.153 1.187 ( 2.914 4.138 -0.969) 5.153 1.325 ( 1.577 -3.670 -3.703) 5.446 1.325 ( 1.577 3.670 -3.703) 5.446 1.424 ( 2.202 -4.400 6.206) 7.920 1.424 ( 2.202 4.400 6.206) 7.920 1.780 ( -0.487 -1.731 0.587) 1.892 1.780 ( -0.487 1.731 0.587) 1.892 2.110 ( -0.984 -0.222 0.073) 1.011 2.110 ( -0.984 0.222 0.073) 1.011 2.511 ( -0.326 -2.269 -4.914) 5.422 2.511 ( -0.326 2.269 -4.914) 5.422 3.503 ( -0.162 -9.812 2.239) 10.066 3.503 ( -0.162 9.812 2.239) 10.066 5.682 ( 0.915 -4.003 1.065) 4.242 5.682 ( 0.915 4.003 1.065) 4.242 6.040 ( 4.279 -0.798 0.131) 4.354 6.040 ( 4.279 0.798 0.131) 4.354 7.100 ( -1.615 -1.564 -1.899) 2.943 7.100 ( -1.615 1.564 -1.899) 2.943 8.404 ( 2.563 -1.893 -1.744) 3.632 8.404 ( 2.563 1.893 -1.744) 3.632 8.756 ( -0.550 -3.622 1.629) 4.009 8.756 ( -0.550 3.622 1.629) 4.009 9.576 ( 0.202 -0.235 1.198) 1.237 9.576 ( 0.202 0.235 1.198) 1.237 ======================= Grid point 412 (208/212) ======================= q-point: ( 0.15 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -2.922 -4.452 -3.653) 6.458 0.752 ( -2.922 4.452 -3.653) 6.458 1.028 ( 3.772 -0.726 -2.042) 4.350 1.028 ( 3.772 0.726 -2.042) 4.350 1.194 ( 0.509 -2.136 -4.761) 5.243 1.194 ( 0.509 2.136 -4.761) 5.243 1.356 ( 2.549 -1.721 -1.347) 3.357 1.356 ( 2.549 1.721 -1.347) 3.357 1.508 ( 2.621 -3.870 5.297) 7.064 1.508 ( 2.621 3.870 5.297) 7.064 1.775 ( -0.604 -2.912 1.136) 3.184 1.775 ( -0.604 2.912 1.136) 3.184 2.083 ( -1.560 -0.458 -0.452) 1.687 2.083 ( -1.560 0.458 -0.452) 1.687 2.481 ( 1.141 -2.988 -5.373) 6.253 2.481 ( 1.141 2.988 -5.373) 6.253 3.510 ( -0.924 -16.734 2.459) 16.939 3.510 ( -0.924 16.734 2.459) 16.939 5.722 ( 2.036 -6.108 2.608) 6.947 5.722 ( 2.036 6.108 2.608) 6.947 6.141 ( 6.018 -0.977 -0.845) 6.155 6.141 ( 6.018 0.977 -0.845) 6.155 7.046 ( -2.338 -2.849 -2.604) 4.513 7.046 ( -2.338 2.849 -2.604) 4.513 8.454 ( 4.506 -3.564 -3.980) 6.989 8.454 ( 4.506 3.564 -3.980) 6.989 8.756 ( -1.114 -5.932 3.405) 6.930 8.756 ( -1.114 5.932 3.405) 6.930 9.593 ( 0.549 -0.527 2.008) 2.147 9.593 ( 0.549 0.527 2.008) 2.147 ======================= Grid point 414 (209/212) ======================= q-point: ( 0.23 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -2.100 -4.673 -3.386) 6.141 0.682 ( -2.100 4.673 -3.386) 6.141 1.094 ( 3.147 -1.212 -1.163) 3.567 1.094 ( 3.147 1.212 -1.163) 3.567 1.171 ( 1.520 -1.623 -5.577) 6.004 1.171 ( 1.520 1.623 -5.577) 6.004 1.381 ( 1.144 -1.692 -1.985) 2.848 1.381 ( 1.144 1.692 -1.985) 2.848 1.593 ( 3.218 -3.099 4.061) 6.038 1.593 ( 3.218 3.099 4.061) 6.038 1.766 ( -0.924 -3.081 0.155) 3.220 1.766 ( -0.924 3.081 0.155) 3.220 2.058 ( -0.727 -2.165 0.160) 2.289 2.058 ( -0.727 2.165 0.160) 2.289 2.491 ( 2.407 -2.489 -2.341) 4.179 2.491 ( 2.407 2.489 -2.341) 4.179 3.500 ( -1.209 -19.706 1.247) 19.783 3.500 ( -1.209 19.706 1.247) 19.783 5.790 ( 2.581 -6.289 4.487) 8.145 5.790 ( 2.581 6.289 4.487) 8.145 6.232 ( 4.590 -1.329 -3.476) 5.909 6.232 ( 4.590 1.329 -3.476) 5.909 6.992 ( -1.611 -3.963 -1.588) 4.563 6.992 ( -1.611 3.963 -1.588) 4.563 8.517 ( 5.532 -4.845 -6.480) 9.801 8.517 ( 5.532 4.845 -6.480) 9.801 8.759 ( -1.518 -5.762 5.325) 7.991 8.759 ( -1.518 5.762 5.325) 7.991 9.621 ( 0.936 -0.826 2.209) 2.537 9.621 ( 0.936 0.826 2.209) 2.537 ======================= Grid point 416 (210/212) ======================= q-point: ( 0.31 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -2.616 -4.465 -2.176) 5.614 0.622 ( -2.616 4.465 -2.176) 5.614 1.100 ( 0.529 -2.862 -3.571) 4.606 1.100 ( 0.529 2.862 -3.571) 4.606 1.214 ( 4.358 -3.907 -1.722) 6.101 1.214 ( 4.358 3.907 -1.722) 6.101 1.380 ( 0.392 -3.131 -2.231) 3.865 1.380 ( 0.392 3.131 -2.231) 3.865 1.672 ( 2.605 -2.858 1.557) 4.168 1.672 ( 2.605 2.858 1.557) 4.168 1.752 ( 0.355 -3.689 -0.446) 3.733 1.752 ( 0.355 3.689 -0.446) 3.733 2.054 ( -0.587 -3.466 1.498) 3.821 2.054 ( -0.587 3.466 1.498) 3.821 2.530 ( 1.942 -1.175 0.649) 2.361 2.530 ( 1.942 1.175 0.649) 2.361 3.488 ( -0.215 -18.290 -0.014) 18.292 3.488 ( -0.215 18.290 -0.014) 18.292 5.867 ( 1.751 -5.048 5.873) 7.940 5.867 ( 1.751 5.048 5.873) 7.940 6.264 ( 2.361 -2.298 -6.237) 7.053 6.264 ( 2.361 2.298 -6.237) 7.053 6.968 ( -0.569 -4.503 -0.043) 4.539 6.968 ( -0.569 4.503 -0.043) 4.539 8.576 ( 5.548 -6.555 -7.832) 11.623 8.576 ( 5.548 6.555 -7.832) 11.623 8.768 ( -1.517 -4.090 6.498) 7.827 8.768 ( -1.517 4.090 6.498) 7.827 9.654 ( 1.063 -0.930 1.841) 2.320 9.654 ( 1.063 0.930 1.841) 2.320 ======================= Grid point 418 (211/212) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -3.142 -3.479 -0.801) 4.755 0.556 ( -3.142 3.479 -0.801) 4.755 1.103 ( 2.121 -2.074 -3.170) 4.342 1.103 ( 2.121 2.074 -3.170) 4.342 1.279 ( 2.365 -5.061 1.234) 5.721 1.279 ( 2.365 5.061 1.234) 5.721 1.368 ( 0.186 -4.356 -3.162) 5.386 1.368 ( 0.186 4.356 -3.162) 5.386 1.697 ( 0.769 -2.574 -1.295) 2.983 1.697 ( 0.769 2.574 -1.295) 2.983 1.790 ( 2.527 -1.862 0.998) 3.294 1.790 ( 2.527 1.862 0.998) 3.294 2.047 ( -1.354 -3.577 1.739) 4.202 2.047 ( -1.354 3.577 1.739) 4.202 2.563 ( 0.632 -0.311 1.674) 1.816 2.563 ( 0.632 0.311 1.674) 1.816 3.495 ( 1.004 -12.669 -0.454) 12.716 3.495 ( 1.004 12.669 -0.454) 12.716 5.918 ( -0.261 -2.994 4.932) 5.775 5.918 ( -0.261 2.994 4.932) 5.775 6.263 ( 2.122 -2.259 -5.700) 6.488 6.263 ( 2.122 2.259 -5.700) 6.488 6.960 ( -0.567 -3.576 0.380) 3.641 6.960 ( -0.567 3.576 0.380) 3.641 8.623 ( 4.197 -7.372 -6.422) 10.639 8.623 ( 4.197 7.372 -6.422) 10.639 8.784 ( -0.987 -4.425 5.463) 7.099 8.784 ( -0.987 4.425 5.463) 7.099 9.682 ( 0.793 -0.714 1.150) 1.569 9.682 ( 0.793 0.714 1.150) 1.569 ======================= Grid point 420 (212/212) ======================= q-point: ( 0.46 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.53e-05 6.53e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -1.456 -1.360 -0.086) 1.994 0.506 ( -1.456 1.360 -0.086) 1.994 1.127 ( 1.455 -1.032 -1.242) 2.173 1.127 ( 1.455 1.032 -1.242) 2.173 1.312 ( -0.189 -4.410 2.481) 5.064 1.312 ( -0.189 4.410 2.481) 5.064 1.354 ( 0.655 -3.555 -3.100) 4.762 1.354 ( 0.655 3.555 -3.100) 4.762 1.703 ( 0.473 -1.021 -0.604) 1.277 1.703 ( 0.473 1.021 -0.604) 1.277 1.832 ( 1.179 -0.521 0.328) 1.330 1.832 ( 1.179 0.521 0.328) 1.330 2.031 ( -0.915 -1.688 0.823) 2.089 2.031 ( -0.915 1.688 0.823) 2.089 2.576 ( 0.009 -0.399 0.781) 0.876 2.576 ( 0.009 0.399 0.781) 0.876 3.512 ( 0.688 -4.462 -0.206) 4.520 3.512 ( 0.688 4.462 -0.206) 4.520 5.926 ( -0.646 -0.938 1.664) 2.016 5.926 ( -0.646 0.938 1.664) 2.016 6.273 ( 1.223 -0.905 -1.986) 2.502 6.273 ( 1.223 0.905 -1.986) 2.502 6.951 ( -0.395 -1.355 0.134) 1.417 6.951 ( -0.395 1.355 0.134) 1.417 8.649 ( 1.539 -3.440 -2.421) 4.479 8.649 ( 1.539 3.440 -2.421) 4.479 8.797 ( -0.280 -2.319 2.092) 3.136 8.797 ( -0.280 2.319 2.092) 3.136 9.697 ( 0.282 -0.263 0.381) 0.542 9.697 ( 0.282 0.263 0.381) 0.542 =================== 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 3/18720 10.0 7.139 7.368 11.412 0.000 3.354 0.000 3/18720 20.0 2.874 2.890 4.422 0.000 1.023 0.000 3/18720 30.0 1.917 2.033 2.763 0.000 0.591 0.000 3/18720 40.0 1.515 1.678 2.078 0.000 0.462 0.000 3/18720 50.0 1.281 1.461 1.702 0.000 0.399 0.000 3/18720 60.0 1.119 1.301 1.459 0.000 0.354 0.000 3/18720 70.0 0.997 1.173 1.286 0.000 0.317 0.000 3/18720 80.0 0.900 1.067 1.156 0.000 0.286 0.000 3/18720 90.0 0.821 0.978 1.053 0.000 0.258 0.000 3/18720 100.0 0.755 0.902 0.969 0.000 0.235 0.000 3/18720 110.0 0.698 0.837 0.898 0.000 0.214 0.000 3/18720 120.0 0.650 0.780 0.838 0.000 0.197 0.000 3/18720 130.0 0.608 0.730 0.785 0.000 0.181 0.000 3/18720 140.0 0.571 0.686 0.738 0.000 0.168 0.000 3/18720 150.0 0.538 0.646 0.697 0.000 0.156 0.000 3/18720 160.0 0.508 0.611 0.660 0.000 0.146 0.000 3/18720 170.0 0.482 0.579 0.627 0.000 0.137 0.000 3/18720 180.0 0.458 0.551 0.597 0.000 0.129 0.000 3/18720 190.0 0.436 0.525 0.569 0.000 0.122 0.000 3/18720 200.0 0.417 0.501 0.544 0.000 0.116 0.000 3/18720 210.0 0.398 0.479 0.521 0.000 0.110 0.000 3/18720 220.0 0.382 0.459 0.500 0.000 0.105 0.000 3/18720 230.0 0.367 0.440 0.480 0.000 0.100 0.000 3/18720 240.0 0.352 0.423 0.462 0.000 0.095 0.000 3/18720 250.0 0.339 0.408 0.445 0.000 0.091 0.000 3/18720 260.0 0.327 0.393 0.429 0.000 0.088 0.000 3/18720 270.0 0.316 0.379 0.415 0.000 0.084 0.000 3/18720 280.0 0.305 0.366 0.401 0.000 0.081 0.000 3/18720 290.0 0.295 0.354 0.388 0.000 0.078 0.000 3/18720 300.0 0.286 0.343 0.376 0.000 0.076 0.000 3/18720 310.0 0.277 0.332 0.365 0.000 0.073 0.000 3/18720 320.0 0.269 0.322 0.354 0.000 0.071 0.000 3/18720 330.0 0.261 0.313 0.344 0.000 0.068 0.000 3/18720 340.0 0.254 0.304 0.334 0.000 0.066 0.000 3/18720 350.0 0.247 0.296 0.325 0.000 0.064 0.000 3/18720 360.0 0.240 0.288 0.316 0.000 0.063 0.000 3/18720 370.0 0.234 0.280 0.308 0.000 0.061 0.000 3/18720 380.0 0.228 0.273 0.301 0.000 0.059 0.000 3/18720 390.0 0.222 0.266 0.293 0.000 0.058 0.000 3/18720 400.0 0.217 0.260 0.286 0.000 0.056 0.000 3/18720 410.0 0.212 0.254 0.279 0.000 0.055 0.000 3/18720 420.0 0.207 0.248 0.273 0.000 0.053 0.000 3/18720 430.0 0.202 0.242 0.267 0.000 0.052 0.000 3/18720 440.0 0.198 0.237 0.261 0.000 0.051 0.000 3/18720 450.0 0.193 0.232 0.255 0.000 0.050 0.000 3/18720 460.0 0.189 0.227 0.250 0.000 0.049 0.000 3/18720 470.0 0.185 0.222 0.245 0.000 0.048 0.000 3/18720 480.0 0.182 0.218 0.240 0.000 0.047 0.000 3/18720 490.0 0.178 0.213 0.235 0.000 0.046 0.000 3/18720 500.0 0.174 0.209 0.231 0.000 0.045 0.000 3/18720 510.0 0.171 0.205 0.226 0.000 0.044 0.000 3/18720 520.0 0.168 0.201 0.222 0.000 0.043 0.000 3/18720 530.0 0.165 0.197 0.218 0.000 0.042 0.000 3/18720 540.0 0.162 0.194 0.214 0.000 0.041 0.000 3/18720 550.0 0.159 0.190 0.210 0.000 0.040 0.000 3/18720 560.0 0.156 0.187 0.206 0.000 0.040 0.000 3/18720 570.0 0.153 0.184 0.203 0.000 0.039 0.000 3/18720 580.0 0.151 0.181 0.199 0.000 0.038 0.000 3/18720 590.0 0.148 0.178 0.196 0.000 0.038 0.000 3/18720 600.0 0.146 0.175 0.193 0.000 0.037 0.000 3/18720 610.0 0.144 0.172 0.190 0.000 0.036 0.000 3/18720 620.0 0.141 0.169 0.187 0.000 0.036 0.000 3/18720 630.0 0.139 0.167 0.184 0.000 0.035 0.000 3/18720 640.0 0.137 0.164 0.181 0.000 0.035 0.000 3/18720 650.0 0.135 0.161 0.178 0.000 0.034 0.000 3/18720 660.0 0.133 0.159 0.176 0.000 0.034 0.000 3/18720 670.0 0.131 0.157 0.173 0.000 0.033 0.000 3/18720 680.0 0.129 0.154 0.171 0.000 0.033 0.000 3/18720 690.0 0.127 0.152 0.168 0.000 0.032 0.000 3/18720 700.0 0.125 0.150 0.166 0.000 0.032 0.000 3/18720 710.0 0.124 0.148 0.164 0.000 0.031 0.000 3/18720 720.0 0.122 0.146 0.161 0.000 0.031 0.000 3/18720 730.0 0.120 0.144 0.159 0.000 0.030 0.000 3/18720 740.0 0.119 0.142 0.157 0.000 0.030 0.000 3/18720 750.0 0.117 0.140 0.155 0.000 0.030 0.000 3/18720 760.0 0.116 0.138 0.153 0.000 0.029 0.000 3/18720 770.0 0.114 0.137 0.151 0.000 0.029 0.000 3/18720 780.0 0.113 0.135 0.149 0.000 0.028 0.000 3/18720 790.0 0.111 0.133 0.147 0.000 0.028 0.000 3/18720 800.0 0.110 0.131 0.145 0.000 0.028 0.000 3/18720 810.0 0.108 0.130 0.144 0.000 0.027 0.000 3/18720 820.0 0.107 0.128 0.142 0.000 0.027 0.000 3/18720 830.0 0.106 0.127 0.140 0.000 0.027 0.000 3/18720 840.0 0.105 0.125 0.139 0.000 0.026 0.000 3/18720 850.0 0.103 0.124 0.137 0.000 0.026 0.000 3/18720 860.0 0.102 0.122 0.135 0.000 0.026 0.000 3/18720 870.0 0.101 0.121 0.134 0.000 0.025 0.000 3/18720 880.0 0.100 0.120 0.132 0.000 0.025 0.000 3/18720 890.0 0.099 0.118 0.131 0.000 0.025 0.000 3/18720 900.0 0.098 0.117 0.129 0.000 0.025 0.000 3/18720 910.0 0.097 0.116 0.128 0.000 0.024 0.000 3/18720 920.0 0.096 0.114 0.127 0.000 0.024 0.000 3/18720 930.0 0.095 0.113 0.125 0.000 0.024 0.000 3/18720 940.0 0.094 0.112 0.124 0.000 0.024 0.000 3/18720 950.0 0.093 0.111 0.123 0.000 0.023 0.000 3/18720 960.0 0.092 0.110 0.121 0.000 0.023 0.000 3/18720 970.0 0.091 0.109 0.120 0.000 0.023 0.000 3/18720 980.0 0.090 0.107 0.119 0.000 0.023 0.000 3/18720 990.0 0.089 0.106 0.118 0.000 0.022 0.000 3/18720 1000.0 0.088 0.105 0.117 0.000 0.022 0.000 3/18720 Thermal conductivity related properties were written into "kappa-m1368.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:27:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|