----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:36:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.614289236723367 1.509360594561775 4.842129576666661 b -2.614289236723363 1.509360594561775 4.842129576666661 c 0.000000000000003 -3.018721189123553 4.842129576666661 Atomic positions (fractional): *1 F 0.77968601340472 0.37347018843209 0.07813730398885 18.998 2 F 0.37347018843209 0.07813730398886 0.77968601340472 18.998 3 F 0.92186269601115 0.22031398659528 0.62652981156791 18.998 4 F 0.62652981156791 0.92186269601115 0.22031398659528 18.998 5 F 0.22031398659528 0.62652981156791 0.92186269601115 18.998 6 F 0.07813730398885 0.77968601340473 0.37347018843209 18.998 *7 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 *8 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.228578473446730 0.000000000000000 0.000000000000000 b -2.614289236723365 4.528081783685328 0.000000000000000 c 0.000000000000000 0.000000000000000 14.526388729999999 Atomic positions (fractional): *1 F 0.03592151146284 0.66562719795304 0.74376450194189 18.998 > 1 2 F 0.62970568649020 0.96407848853717 0.74376450194189 18.998 > 2 3 F 0.99896053128637 0.29637235315687 0.92290216472478 18.998 > 3 4 F 0.70362764684313 0.70258817812950 0.92290216472478 18.998 > 4 5 F 0.29741182187050 0.00103946871363 0.92290216472478 18.998 > 5 6 F 0.33437280204696 0.37029431350980 0.74376450194189 18.998 > 6 7 F 0.70258817812950 0.99896053128637 0.07709783527522 18.998 > 1 8 F 0.29637235315687 0.29741182187050 0.07709783527522 18.998 > 2 9 F 0.66562719795304 0.62970568649020 0.25623549805811 18.998 > 3 10 F 0.37029431350980 0.03592151146284 0.25623549805811 18.998 > 4 11 F 0.96407848853716 0.33437280204696 0.25623549805811 18.998 > 5 12 F 0.00103946871363 0.70362764684313 0.07709783527522 18.998 > 6 13 F 0.36925484479617 0.33229386461970 0.41043116860856 18.998 > 1 14 F 0.96303901982354 0.63074515520383 0.41043116860856 18.998 > 2 15 F 0.33229386461970 0.96303901982354 0.58956883139144 18.998 > 3 16 F 0.03696098017646 0.36925484479617 0.58956883139144 18.998 > 4 17 F 0.63074515520383 0.66770613538030 0.58956883139144 18.998 > 5 18 F 0.66770613538030 0.03696098017646 0.41043116860856 18.998 > 6 *19 Ca 0.66666666666667 0.33333333333333 0.83333333333333 40.078 > 7 20 Ca 0.33333333333333 0.66666666666667 0.16666666666667 40.078 > 7 21 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 7 *22 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 8 23 Pd 0.66666666666667 0.33333333333333 0.33333333333333 106.420 > 8 24 Pd 0.33333333333333 0.66666666666667 0.66666666666667 106.420 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.457156946893461 0.000000000000000 0.000000000000000 b -5.228578473446730 9.056163567370657 0.000000000000000 c 0.000000000000000 0.000000000000000 14.526388729999999 Atomic positions (fractional): *1 F 0.01796075573142 0.33281359897652 0.74376450194189 18.998 > 1 2 F 0.51796075573142 0.33281359897652 0.74376450194189 18.998 > 1 3 F 0.01796075573142 0.83281359897652 0.74376450194189 18.998 > 1 4 F 0.51796075573142 0.83281359897652 0.74376450194189 18.998 > 1 5 F 0.31485284324510 0.48203924426858 0.74376450194189 18.998 > 2 6 F 0.81485284324510 0.48203924426858 0.74376450194189 18.998 > 2 7 F 0.31485284324510 0.98203924426858 0.74376450194189 18.998 > 2 8 F 0.81485284324510 0.98203924426858 0.74376450194189 18.998 > 2 9 F 0.49948026564318 0.14818617657843 0.92290216472478 18.998 > 3 10 F 0.99948026564318 0.14818617657843 0.92290216472478 18.998 > 3 11 F 0.49948026564318 0.64818617657843 0.92290216472478 18.998 > 3 12 F 0.99948026564318 0.64818617657843 0.92290216472478 18.998 > 3 13 F 0.35181382342157 0.35129408906475 0.92290216472478 18.998 > 4 14 F 0.85181382342157 0.35129408906475 0.92290216472478 18.998 > 4 15 F 0.35181382342157 0.85129408906475 0.92290216472478 18.998 > 4 16 F 0.85181382342157 0.85129408906475 0.92290216472478 18.998 > 4 17 F 0.14870591093525 0.00051973435681 0.92290216472478 18.998 > 5 18 F 0.64870591093525 0.00051973435681 0.92290216472478 18.998 > 5 19 F 0.14870591093525 0.50051973435681 0.92290216472478 18.998 > 5 20 F 0.64870591093525 0.50051973435681 0.92290216472478 18.998 > 5 21 F 0.16718640102348 0.18514715675490 0.74376450194189 18.998 > 6 22 F 0.66718640102348 0.18514715675490 0.74376450194189 18.998 > 6 23 F 0.16718640102348 0.68514715675490 0.74376450194189 18.998 > 6 24 F 0.66718640102348 0.68514715675490 0.74376450194189 18.998 > 6 25 F 0.35129408906475 0.49948026564318 0.07709783527522 18.998 > 1 26 F 0.85129408906475 0.49948026564318 0.07709783527522 18.998 > 1 27 F 0.35129408906475 0.99948026564318 0.07709783527522 18.998 > 1 28 F 0.85129408906475 0.99948026564318 0.07709783527522 18.998 > 1 29 F 0.14818617657843 0.14870591093525 0.07709783527522 18.998 > 2 30 F 0.64818617657843 0.14870591093525 0.07709783527522 18.998 > 2 31 F 0.14818617657843 0.64870591093525 0.07709783527522 18.998 > 2 32 F 0.64818617657843 0.64870591093525 0.07709783527522 18.998 > 2 33 F 0.33281359897652 0.31485284324510 0.25623549805811 18.998 > 3 34 F 0.83281359897652 0.31485284324510 0.25623549805811 18.998 > 3 35 F 0.33281359897652 0.81485284324510 0.25623549805811 18.998 > 3 36 F 0.83281359897652 0.81485284324510 0.25623549805811 18.998 > 3 37 F 0.18514715675490 0.01796075573142 0.25623549805811 18.998 > 4 38 F 0.68514715675490 0.01796075573142 0.25623549805811 18.998 > 4 39 F 0.18514715675490 0.51796075573142 0.25623549805811 18.998 > 4 40 F 0.68514715675490 0.51796075573142 0.25623549805811 18.998 > 4 41 F 0.48203924426858 0.16718640102348 0.25623549805811 18.998 > 5 42 F 0.98203924426858 0.16718640102348 0.25623549805811 18.998 > 5 43 F 0.48203924426858 0.66718640102348 0.25623549805811 18.998 > 5 44 F 0.98203924426858 0.66718640102348 0.25623549805811 18.998 > 5 45 F 0.00051973435681 0.35181382342157 0.07709783527522 18.998 > 6 46 F 0.50051973435681 0.35181382342157 0.07709783527522 18.998 > 6 47 F 0.00051973435681 0.85181382342157 0.07709783527522 18.998 > 6 48 F 0.50051973435681 0.85181382342157 0.07709783527522 18.998 > 6 49 F 0.18462742239808 0.16614693230985 0.41043116860856 18.998 > 1 50 F 0.68462742239808 0.16614693230985 0.41043116860856 18.998 > 1 51 F 0.18462742239808 0.66614693230985 0.41043116860856 18.998 > 1 52 F 0.68462742239808 0.66614693230985 0.41043116860856 18.998 > 1 53 F 0.48151950991177 0.31537257760192 0.41043116860856 18.998 > 2 54 F 0.98151950991177 0.31537257760192 0.41043116860856 18.998 > 2 55 F 0.48151950991177 0.81537257760192 0.41043116860856 18.998 > 2 56 F 0.98151950991177 0.81537257760192 0.41043116860856 18.998 > 2 57 F 0.16614693230985 0.48151950991177 0.58956883139144 18.998 > 3 58 F 0.66614693230985 0.48151950991177 0.58956883139144 18.998 > 3 59 F 0.16614693230985 0.98151950991177 0.58956883139144 18.998 > 3 60 F 0.66614693230985 0.98151950991177 0.58956883139144 18.998 > 3 61 F 0.01848049008823 0.18462742239808 0.58956883139144 18.998 > 4 62 F 0.51848049008823 0.18462742239808 0.58956883139144 18.998 > 4 63 F 0.01848049008823 0.68462742239808 0.58956883139144 18.998 > 4 64 F 0.51848049008823 0.68462742239808 0.58956883139144 18.998 > 4 65 F 0.31537257760192 0.33385306769015 0.58956883139144 18.998 > 5 66 F 0.81537257760192 0.33385306769015 0.58956883139144 18.998 > 5 67 F 0.31537257760192 0.83385306769015 0.58956883139144 18.998 > 5 68 F 0.81537257760192 0.83385306769015 0.58956883139144 18.998 > 5 69 F 0.33385306769015 0.01848049008823 0.41043116860856 18.998 > 6 70 F 0.83385306769015 0.01848049008823 0.41043116860856 18.998 > 6 71 F 0.33385306769015 0.51848049008823 0.41043116860856 18.998 > 6 72 F 0.83385306769015 0.51848049008823 0.41043116860856 18.998 > 6 *73 Ca 0.33333333333333 0.16666666666667 0.83333333333333 40.078 > 7 74 Ca 0.83333333333333 0.16666666666667 0.83333333333333 40.078 > 7 75 Ca 0.33333333333333 0.66666666666667 0.83333333333333 40.078 > 7 76 Ca 0.83333333333333 0.66666666666667 0.83333333333333 40.078 > 7 77 Ca 0.16666666666667 0.33333333333333 0.16666666666667 40.078 > 7 78 Ca 0.66666666666667 0.33333333333333 0.16666666666667 40.078 > 7 79 Ca 0.16666666666667 0.83333333333333 0.16666666666667 40.078 > 7 80 Ca 0.66666666666667 0.83333333333333 0.16666666666667 40.078 > 7 81 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 7 82 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 7 83 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 7 84 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 7 *85 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 8 86 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 8 87 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 8 88 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 8 89 Pd 0.33333333333333 0.16666666666667 0.33333333333333 106.420 > 8 90 Pd 0.83333333333333 0.16666666666667 0.33333333333333 106.420 > 8 91 Pd 0.33333333333333 0.66666666666667 0.33333333333333 106.420 > 8 92 Pd 0.83333333333333 0.66666666666667 0.33333333333333 106.420 > 8 93 Pd 0.16666666666667 0.33333333333333 0.66666666666667 106.420 > 8 94 Pd 0.66666666666667 0.33333333333333 0.66666666666667 106.420 > 8 95 Pd 0.16666666666667 0.83333333333333 0.66666666666667 106.420 > 8 96 Pd 0.66666666666667 0.83333333333333 0.66666666666667 106.420 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6730075 0.0000006 0.0000000 -0.0000006 2.6730075 0.0000000 0.0000000 0.0000000 2.8073996 -------------------------- Born effective charges -------------------------- 1 F -1.2624405 -0.3018162 0.7444046 -0.1732457 -0.5450581 0.1867628 0.6821630 0.2691996 -0.9805918 2 F -0.5186959 -0.2561555 -0.2104610 -0.1275849 -1.2888027 -0.7380547 -0.1079478 -0.7253703 -0.9805918 3 F -0.9301115 0.3651159 -0.5339436 0.4936864 -0.8773871 0.5512919 -0.5742152 0.4561707 -0.9805918 4 F -0.5186959 -0.2561555 -0.2104610 -0.1275849 -1.2888027 -0.7380547 -0.1079478 -0.7253703 -0.9805918 5 F -1.2624405 -0.3018162 0.7444046 -0.1732457 -0.5450581 0.1867628 0.6821630 0.2691996 -0.9805918 6 F -0.9301115 0.3651159 -0.5339436 0.4936864 -0.8773871 0.5512919 -0.5742152 0.4561707 -0.9805918 7 Ca 2.6609086 0.5279328 0.0000000 -0.5279328 2.6609086 0.0000000 0.0000000 0.0000000 3.0594608 8 Pd 2.7615871 -0.1422211 0.0000000 0.1422211 2.7615871 0.0000000 0.0000000 0.0000000 2.8240897 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 292 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 160 - Time: 0.451 Solver_block: 160 / 160 - Time: 0.320 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.787 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yz) 0.00000000 (yz) Permutation basis: 288/288 Permutation basis: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 292 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yz) 0.00000000 (yz) 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 22:36:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:36:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.614289236723367 1.509360594561775 4.842129576666661 b -2.614289236723363 1.509360594561775 4.842129576666661 c 0.000000000000003 -3.018721189123553 4.842129576666661 Atomic positions (fractional): 1 F 0.77968601340472 0.37347018843209 0.07813730398885 18.998 2 F 0.37347018843209 0.07813730398886 0.77968601340472 18.998 3 F 0.92186269601115 0.22031398659528 0.62652981156791 18.998 4 F 0.62652981156791 0.92186269601115 0.22031398659528 18.998 5 F 0.22031398659528 0.62652981156791 0.92186269601115 18.998 6 F 0.07813730398885 0.77968601340473 0.37347018843209 18.998 7 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 8 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.457156946893461 0.000000000000000 0.000000000000000 b -5.228578473446730 9.056163567370657 0.000000000000000 c 0.000000000000000 0.000000000000000 14.526388729999999 Atomic positions (fractional): 1 F 0.01796075573142 0.33281359897652 0.74376450194189 18.998 > 1 2 F 0.51796075573142 0.33281359897652 0.74376450194189 18.998 > 1 3 F 0.01796075573142 0.83281359897652 0.74376450194189 18.998 > 1 4 F 0.51796075573142 0.83281359897652 0.74376450194189 18.998 > 1 5 F 0.31485284324510 0.48203924426858 0.74376450194189 18.998 > 5 6 F 0.81485284324510 0.48203924426858 0.74376450194189 18.998 > 5 7 F 0.31485284324510 0.98203924426858 0.74376450194189 18.998 > 5 8 F 0.81485284324510 0.98203924426858 0.74376450194189 18.998 > 5 9 F 0.49948026564318 0.14818617657843 0.92290216472478 18.998 > 9 10 F 0.99948026564318 0.14818617657843 0.92290216472478 18.998 > 9 11 F 0.49948026564318 0.64818617657843 0.92290216472478 18.998 > 9 12 F 0.99948026564318 0.64818617657843 0.92290216472478 18.998 > 9 13 F 0.35181382342157 0.35129408906475 0.92290216472478 18.998 > 13 14 F 0.85181382342157 0.35129408906475 0.92290216472478 18.998 > 13 15 F 0.35181382342157 0.85129408906475 0.92290216472478 18.998 > 13 16 F 0.85181382342157 0.85129408906475 0.92290216472478 18.998 > 13 17 F 0.14870591093525 0.00051973435681 0.92290216472478 18.998 > 17 18 F 0.64870591093525 0.00051973435681 0.92290216472478 18.998 > 17 19 F 0.14870591093525 0.50051973435681 0.92290216472478 18.998 > 17 20 F 0.64870591093525 0.50051973435681 0.92290216472478 18.998 > 17 21 F 0.16718640102348 0.18514715675490 0.74376450194189 18.998 > 21 22 F 0.66718640102348 0.18514715675490 0.74376450194189 18.998 > 21 23 F 0.16718640102348 0.68514715675490 0.74376450194189 18.998 > 21 24 F 0.66718640102348 0.68514715675490 0.74376450194189 18.998 > 21 25 F 0.35129408906475 0.49948026564318 0.07709783527522 18.998 > 1 26 F 0.85129408906475 0.49948026564318 0.07709783527522 18.998 > 1 27 F 0.35129408906475 0.99948026564318 0.07709783527522 18.998 > 1 28 F 0.85129408906475 0.99948026564318 0.07709783527522 18.998 > 1 29 F 0.14818617657843 0.14870591093525 0.07709783527522 18.998 > 5 30 F 0.64818617657843 0.14870591093525 0.07709783527522 18.998 > 5 31 F 0.14818617657843 0.64870591093525 0.07709783527522 18.998 > 5 32 F 0.64818617657843 0.64870591093525 0.07709783527522 18.998 > 5 33 F 0.33281359897652 0.31485284324510 0.25623549805811 18.998 > 9 34 F 0.83281359897652 0.31485284324510 0.25623549805811 18.998 > 9 35 F 0.33281359897652 0.81485284324510 0.25623549805811 18.998 > 9 36 F 0.83281359897652 0.81485284324510 0.25623549805811 18.998 > 9 37 F 0.18514715675490 0.01796075573142 0.25623549805811 18.998 > 13 38 F 0.68514715675490 0.01796075573142 0.25623549805811 18.998 > 13 39 F 0.18514715675490 0.51796075573142 0.25623549805811 18.998 > 13 40 F 0.68514715675490 0.51796075573142 0.25623549805811 18.998 > 13 41 F 0.48203924426858 0.16718640102348 0.25623549805811 18.998 > 17 42 F 0.98203924426858 0.16718640102348 0.25623549805811 18.998 > 17 43 F 0.48203924426858 0.66718640102348 0.25623549805811 18.998 > 17 44 F 0.98203924426858 0.66718640102348 0.25623549805811 18.998 > 17 45 F 0.00051973435681 0.35181382342157 0.07709783527522 18.998 > 21 46 F 0.50051973435681 0.35181382342157 0.07709783527522 18.998 > 21 47 F 0.00051973435681 0.85181382342157 0.07709783527522 18.998 > 21 48 F 0.50051973435681 0.85181382342157 0.07709783527522 18.998 > 21 49 F 0.18462742239808 0.16614693230985 0.41043116860856 18.998 > 1 50 F 0.68462742239808 0.16614693230985 0.41043116860856 18.998 > 1 51 F 0.18462742239808 0.66614693230985 0.41043116860856 18.998 > 1 52 F 0.68462742239808 0.66614693230985 0.41043116860856 18.998 > 1 53 F 0.48151950991177 0.31537257760192 0.41043116860856 18.998 > 5 54 F 0.98151950991177 0.31537257760192 0.41043116860856 18.998 > 5 55 F 0.48151950991177 0.81537257760192 0.41043116860856 18.998 > 5 56 F 0.98151950991177 0.81537257760192 0.41043116860856 18.998 > 5 57 F 0.16614693230985 0.48151950991177 0.58956883139144 18.998 > 9 58 F 0.66614693230985 0.48151950991177 0.58956883139144 18.998 > 9 59 F 0.16614693230985 0.98151950991177 0.58956883139144 18.998 > 9 60 F 0.66614693230985 0.98151950991177 0.58956883139144 18.998 > 9 61 F 0.01848049008823 0.18462742239808 0.58956883139144 18.998 > 13 62 F 0.51848049008823 0.18462742239808 0.58956883139144 18.998 > 13 63 F 0.01848049008823 0.68462742239808 0.58956883139144 18.998 > 13 64 F 0.51848049008823 0.68462742239808 0.58956883139144 18.998 > 13 65 F 0.31537257760192 0.33385306769015 0.58956883139144 18.998 > 17 66 F 0.81537257760192 0.33385306769015 0.58956883139144 18.998 > 17 67 F 0.31537257760192 0.83385306769015 0.58956883139144 18.998 > 17 68 F 0.81537257760192 0.83385306769015 0.58956883139144 18.998 > 17 69 F 0.33385306769015 0.01848049008823 0.41043116860856 18.998 > 21 70 F 0.83385306769015 0.01848049008823 0.41043116860856 18.998 > 21 71 F 0.33385306769015 0.51848049008823 0.41043116860856 18.998 > 21 72 F 0.83385306769015 0.51848049008823 0.41043116860856 18.998 > 21 73 Ca 0.33333333333333 0.16666666666667 0.83333333333333 40.078 > 73 74 Ca 0.83333333333333 0.16666666666667 0.83333333333333 40.078 > 73 75 Ca 0.33333333333333 0.66666666666667 0.83333333333333 40.078 > 73 76 Ca 0.83333333333333 0.66666666666667 0.83333333333333 40.078 > 73 77 Ca 0.16666666666667 0.33333333333333 0.16666666666667 40.078 > 73 78 Ca 0.66666666666667 0.33333333333333 0.16666666666667 40.078 > 73 79 Ca 0.16666666666667 0.83333333333333 0.16666666666667 40.078 > 73 80 Ca 0.66666666666667 0.83333333333333 0.16666666666667 40.078 > 73 81 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 73 82 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 73 83 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 73 84 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 73 85 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 85 86 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 85 87 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 85 88 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 85 89 Pd 0.33333333333333 0.16666666666667 0.33333333333333 106.420 > 85 90 Pd 0.83333333333333 0.16666666666667 0.33333333333333 106.420 > 85 91 Pd 0.33333333333333 0.66666666666667 0.33333333333333 106.420 > 85 92 Pd 0.83333333333333 0.66666666666667 0.33333333333333 106.420 > 85 93 Pd 0.16666666666667 0.33333333333333 0.66666666666667 106.420 > 85 94 Pd 0.66666666666667 0.33333333333333 0.66666666666667 106.420 > 85 95 Pd 0.16666666666667 0.83333333333333 0.66666666666667 106.420 > 85 96 Pd 0.66666666666667 0.83333333333333 0.66666666666667 106.420 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6730075 0.0000006 0.0000000 -0.0000006 2.6730075 0.0000000 0.0000000 0.0000000 2.8073996 -------------------------- Born effective charges -------------------------- 1 F -1.2624405 -0.3018162 0.7444046 -0.1732457 -0.5450581 0.1867628 0.6821630 0.2691996 -0.9805918 2 F -0.5186959 -0.2561555 -0.2104610 -0.1275849 -1.2888027 -0.7380547 -0.1079478 -0.7253703 -0.9805918 3 F -0.9301115 0.3651159 -0.5339436 0.4936864 -0.8773871 0.5512919 -0.5742152 0.4561707 -0.9805918 4 F -0.5186959 -0.2561555 -0.2104610 -0.1275849 -1.2888027 -0.7380547 -0.1079478 -0.7253703 -0.9805918 5 F -1.2624405 -0.3018162 0.7444046 -0.1732457 -0.5450581 0.1867628 0.6821630 0.2691996 -0.9805918 6 F -0.9301115 0.3651159 -0.5339436 0.4936864 -0.8773871 0.5512919 -0.5742152 0.4561707 -0.9805918 7 Ca 2.6609086 0.5279328 0.0000000 -0.5279328 2.6609086 0.0000000 0.0000000 0.0000000 3.0594608 8 Pd 2.7615871 -0.1422211 0.0000000 0.1422211 2.7615871 0.0000000 0.0000000 0.0000000 2.8240897 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000021 (xy) -0.00000021 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:37:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:37:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.614289236723367 1.509360594561775 4.842129576666661 b -2.614289236723363 1.509360594561775 4.842129576666661 c 0.000000000000003 -3.018721189123553 4.842129576666661 Atomic positions (fractional): 1 F 0.77968601340472 0.37347018843209 0.07813730398885 18.998 2 F 0.37347018843209 0.07813730398886 0.77968601340472 18.998 3 F 0.92186269601115 0.22031398659528 0.62652981156791 18.998 4 F 0.62652981156791 0.92186269601115 0.22031398659528 18.998 5 F 0.22031398659528 0.62652981156791 0.92186269601115 18.998 6 F 0.07813730398885 0.77968601340473 0.37347018843209 18.998 7 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 8 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.457156946893461 0.000000000000000 0.000000000000000 b -5.228578473446730 9.056163567370657 0.000000000000000 c 0.000000000000000 0.000000000000000 14.526388729999999 Atomic positions (fractional): 1 F 0.01796075573142 0.33281359897652 0.74376450194189 18.998 > 1 2 F 0.51796075573142 0.33281359897652 0.74376450194189 18.998 > 1 3 F 0.01796075573142 0.83281359897652 0.74376450194189 18.998 > 1 4 F 0.51796075573142 0.83281359897652 0.74376450194189 18.998 > 1 5 F 0.31485284324510 0.48203924426858 0.74376450194189 18.998 > 5 6 F 0.81485284324510 0.48203924426858 0.74376450194189 18.998 > 5 7 F 0.31485284324510 0.98203924426858 0.74376450194189 18.998 > 5 8 F 0.81485284324510 0.98203924426858 0.74376450194189 18.998 > 5 9 F 0.49948026564318 0.14818617657843 0.92290216472478 18.998 > 9 10 F 0.99948026564318 0.14818617657843 0.92290216472478 18.998 > 9 11 F 0.49948026564318 0.64818617657843 0.92290216472478 18.998 > 9 12 F 0.99948026564318 0.64818617657843 0.92290216472478 18.998 > 9 13 F 0.35181382342157 0.35129408906475 0.92290216472478 18.998 > 13 14 F 0.85181382342157 0.35129408906475 0.92290216472478 18.998 > 13 15 F 0.35181382342157 0.85129408906475 0.92290216472478 18.998 > 13 16 F 0.85181382342157 0.85129408906475 0.92290216472478 18.998 > 13 17 F 0.14870591093525 0.00051973435681 0.92290216472478 18.998 > 17 18 F 0.64870591093525 0.00051973435681 0.92290216472478 18.998 > 17 19 F 0.14870591093525 0.50051973435681 0.92290216472478 18.998 > 17 20 F 0.64870591093525 0.50051973435681 0.92290216472478 18.998 > 17 21 F 0.16718640102348 0.18514715675490 0.74376450194189 18.998 > 21 22 F 0.66718640102348 0.18514715675490 0.74376450194189 18.998 > 21 23 F 0.16718640102348 0.68514715675490 0.74376450194189 18.998 > 21 24 F 0.66718640102348 0.68514715675490 0.74376450194189 18.998 > 21 25 F 0.35129408906475 0.49948026564318 0.07709783527522 18.998 > 1 26 F 0.85129408906475 0.49948026564318 0.07709783527522 18.998 > 1 27 F 0.35129408906475 0.99948026564318 0.07709783527522 18.998 > 1 28 F 0.85129408906475 0.99948026564318 0.07709783527522 18.998 > 1 29 F 0.14818617657843 0.14870591093525 0.07709783527522 18.998 > 5 30 F 0.64818617657843 0.14870591093525 0.07709783527522 18.998 > 5 31 F 0.14818617657843 0.64870591093525 0.07709783527522 18.998 > 5 32 F 0.64818617657843 0.64870591093525 0.07709783527522 18.998 > 5 33 F 0.33281359897652 0.31485284324510 0.25623549805811 18.998 > 9 34 F 0.83281359897652 0.31485284324510 0.25623549805811 18.998 > 9 35 F 0.33281359897652 0.81485284324510 0.25623549805811 18.998 > 9 36 F 0.83281359897652 0.81485284324510 0.25623549805811 18.998 > 9 37 F 0.18514715675490 0.01796075573142 0.25623549805811 18.998 > 13 38 F 0.68514715675490 0.01796075573142 0.25623549805811 18.998 > 13 39 F 0.18514715675490 0.51796075573142 0.25623549805811 18.998 > 13 40 F 0.68514715675490 0.51796075573142 0.25623549805811 18.998 > 13 41 F 0.48203924426858 0.16718640102348 0.25623549805811 18.998 > 17 42 F 0.98203924426858 0.16718640102348 0.25623549805811 18.998 > 17 43 F 0.48203924426858 0.66718640102348 0.25623549805811 18.998 > 17 44 F 0.98203924426858 0.66718640102348 0.25623549805811 18.998 > 17 45 F 0.00051973435681 0.35181382342157 0.07709783527522 18.998 > 21 46 F 0.50051973435681 0.35181382342157 0.07709783527522 18.998 > 21 47 F 0.00051973435681 0.85181382342157 0.07709783527522 18.998 > 21 48 F 0.50051973435681 0.85181382342157 0.07709783527522 18.998 > 21 49 F 0.18462742239808 0.16614693230985 0.41043116860856 18.998 > 1 50 F 0.68462742239808 0.16614693230985 0.41043116860856 18.998 > 1 51 F 0.18462742239808 0.66614693230985 0.41043116860856 18.998 > 1 52 F 0.68462742239808 0.66614693230985 0.41043116860856 18.998 > 1 53 F 0.48151950991177 0.31537257760192 0.41043116860856 18.998 > 5 54 F 0.98151950991177 0.31537257760192 0.41043116860856 18.998 > 5 55 F 0.48151950991177 0.81537257760192 0.41043116860856 18.998 > 5 56 F 0.98151950991177 0.81537257760192 0.41043116860856 18.998 > 5 57 F 0.16614693230985 0.48151950991177 0.58956883139144 18.998 > 9 58 F 0.66614693230985 0.48151950991177 0.58956883139144 18.998 > 9 59 F 0.16614693230985 0.98151950991177 0.58956883139144 18.998 > 9 60 F 0.66614693230985 0.98151950991177 0.58956883139144 18.998 > 9 61 F 0.01848049008823 0.18462742239808 0.58956883139144 18.998 > 13 62 F 0.51848049008823 0.18462742239808 0.58956883139144 18.998 > 13 63 F 0.01848049008823 0.68462742239808 0.58956883139144 18.998 > 13 64 F 0.51848049008823 0.68462742239808 0.58956883139144 18.998 > 13 65 F 0.31537257760192 0.33385306769015 0.58956883139144 18.998 > 17 66 F 0.81537257760192 0.33385306769015 0.58956883139144 18.998 > 17 67 F 0.31537257760192 0.83385306769015 0.58956883139144 18.998 > 17 68 F 0.81537257760192 0.83385306769015 0.58956883139144 18.998 > 17 69 F 0.33385306769015 0.01848049008823 0.41043116860856 18.998 > 21 70 F 0.83385306769015 0.01848049008823 0.41043116860856 18.998 > 21 71 F 0.33385306769015 0.51848049008823 0.41043116860856 18.998 > 21 72 F 0.83385306769015 0.51848049008823 0.41043116860856 18.998 > 21 73 Ca 0.33333333333333 0.16666666666667 0.83333333333333 40.078 > 73 74 Ca 0.83333333333333 0.16666666666667 0.83333333333333 40.078 > 73 75 Ca 0.33333333333333 0.66666666666667 0.83333333333333 40.078 > 73 76 Ca 0.83333333333333 0.66666666666667 0.83333333333333 40.078 > 73 77 Ca 0.16666666666667 0.33333333333333 0.16666666666667 40.078 > 73 78 Ca 0.66666666666667 0.33333333333333 0.16666666666667 40.078 > 73 79 Ca 0.16666666666667 0.83333333333333 0.16666666666667 40.078 > 73 80 Ca 0.66666666666667 0.83333333333333 0.16666666666667 40.078 > 73 81 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 73 82 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 73 83 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 73 84 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 73 85 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 85 86 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 85 87 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 85 88 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 85 89 Pd 0.33333333333333 0.16666666666667 0.33333333333333 106.420 > 85 90 Pd 0.83333333333333 0.16666666666667 0.33333333333333 106.420 > 85 91 Pd 0.33333333333333 0.66666666666667 0.33333333333333 106.420 > 85 92 Pd 0.83333333333333 0.66666666666667 0.33333333333333 106.420 > 85 93 Pd 0.16666666666667 0.33333333333333 0.66666666666667 106.420 > 85 94 Pd 0.66666666666667 0.33333333333333 0.66666666666667 106.420 > 85 95 Pd 0.16666666666667 0.83333333333333 0.66666666666667 106.420 > 85 96 Pd 0.66666666666667 0.83333333333333 0.66666666666667 106.420 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6730075 0.0000006 0.0000000 -0.0000006 2.6730075 0.0000000 0.0000000 0.0000000 2.8073996 -------------------------- Born effective charges -------------------------- 1 F -1.2624405 -0.3018162 0.7444046 -0.1732457 -0.5450581 0.1867628 0.6821630 0.2691996 -0.9805918 2 F -0.5186959 -0.2561555 -0.2104610 -0.1275849 -1.2888027 -0.7380547 -0.1079478 -0.7253703 -0.9805918 3 F -0.9301115 0.3651159 -0.5339436 0.4936864 -0.8773871 0.5512919 -0.5742152 0.4561707 -0.9805918 4 F -0.5186959 -0.2561555 -0.2104610 -0.1275849 -1.2888027 -0.7380547 -0.1079478 -0.7253703 -0.9805918 5 F -1.2624405 -0.3018162 0.7444046 -0.1732457 -0.5450581 0.1867628 0.6821630 0.2691996 -0.9805918 6 F -0.9301115 0.3651159 -0.5339436 0.4936864 -0.8773871 0.5512919 -0.5742152 0.4561707 -0.9805918 7 Ca 2.6609086 0.5279328 0.0000000 -0.5279328 2.6609086 0.0000000 0.0000000 0.0000000 3.0594608 8 Pd 2.7615871 -0.1422211 0.0000000 0.1422211 2.7615871 0.0000000 0.0000000 0.0000000 2.8240897 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.85, Number of G-points: 297, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 9.398 ( 0.000 0.000 0.000) 0.000 9.398 ( 0.000 0.000 0.000) 0.000 16.696 ( 0.000 0.000 0.000) 0.000 16.696 ( 0.000 0.000 0.000) 0.000 17.360 ( 0.000 0.000 0.000) 0.000 17.360 ( 0.000 0.000 0.000) 0.000 17.540 ( 0.000 0.000 0.000) 0.000 17.548 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( -3.327 31.216 16.987) 35.694 0.574 ( 24.910 20.907 -5.151) 32.926 0.594 ( 31.156 -5.243 24.390) 39.914 3.068 ( -6.819 -2.661 -3.572) 8.145 3.118 ( -1.616 -3.291 -0.364) 3.685 4.853 ( -14.274 -8.084 -6.847) 17.775 5.386 ( 0.638 0.235 4.400) 4.453 5.438 ( 2.009 -1.873 -2.748) 3.885 6.018 ( 0.373 2.417 3.661) 4.403 6.617 ( -4.726 -2.266 -4.441) 6.870 6.813 ( 1.636 0.956 0.495) 1.958 7.012 ( -5.588 3.444 8.465) 10.712 7.234 ( 3.794 10.852 -4.290) 12.271 7.307 ( 20.016 -4.146 -5.223) 21.098 7.991 ( -0.309 0.392 5.507) 5.529 8.933 ( -6.631 -4.647 14.464) 16.576 9.373 ( -0.599 -2.491 -2.857) 3.838 10.099 ( -2.980 0.395 -2.474) 3.893 16.685 ( -0.522 -0.979 -0.310) 1.152 16.697 ( -1.440 2.850 -0.169) 3.198 17.384 ( 2.473 0.994 -0.056) 2.666 17.526 ( 1.513 0.629 -4.744) 5.019 17.563 ( 1.303 0.926 1.029) 1.901 19.295 ( -3.118 -3.426 8.506) 9.685 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -0.082 30.294 18.578) 35.537 1.104 ( 22.218 19.133 -6.295) 29.989 1.170 ( 29.451 -4.279 22.319) 37.200 2.859 ( -11.142 -4.721 -5.647) 13.353 3.038 ( -2.453 -5.904 -0.661) 6.427 4.436 ( -19.861 -11.014 -8.395) 24.213 5.406 ( 0.367 -2.528 -7.692) 8.105 5.422 ( 0.056 -1.269 4.850) 5.014 6.056 ( -0.139 2.174 1.378) 2.578 6.511 ( -2.889 -1.026 -3.810) 4.890 6.854 ( 1.608 1.382 0.531) 2.186 7.037 ( -3.706 3.336 15.248) 16.043 7.395 ( 4.300 13.509 -3.213) 14.536 7.609 ( 23.990 -4.151 -1.155) 24.374 8.034 ( 0.953 2.161 3.240) 4.009 8.835 ( -7.257 -5.967 7.195) 11.833 9.306 ( -0.965 -4.365 -4.882) 6.619 10.014 ( -6.488 0.911 -2.861) 7.149 16.663 ( -0.438 -1.301 -0.527) 1.470 16.700 ( -2.320 4.599 -0.178) 5.154 17.451 ( 4.177 1.284 0.335) 4.382 17.532 ( 0.955 -0.191 -0.923) 1.342 17.600 ( 0.979 1.438 1.221) 2.126 19.252 ( -2.133 -3.865 3.383) 5.562 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 2.061 27.666 19.112) 33.689 1.548 ( 17.604 15.969 -6.973) 24.770 1.685 ( 23.971 -3.013 15.984) 28.968 2.598 ( -10.197 -5.553 -3.873) 12.240 2.933 ( -2.174 -7.482 -0.818) 7.834 3.961 ( -19.994 -11.203 -7.642) 24.159 5.292 ( -4.581 -4.152 -8.450) 10.471 5.421 ( -1.104 -1.549 1.320) 2.315 6.079 ( 0.291 1.686 1.018) 1.991 6.471 ( 0.425 -0.039 -2.032) 2.076 6.894 ( 1.350 1.604 0.371) 2.129 7.129 ( -0.609 5.092 15.599) 16.421 7.571 ( 4.441 12.887 -2.430) 13.846 7.944 ( 20.730 -4.744 0.454) 21.270 8.108 ( 4.792 2.830 3.470) 6.559 8.677 ( -8.623 -7.212 3.585) 11.800 9.213 ( -0.975 -5.141 -5.958) 7.929 9.878 ( -9.948 1.697 -2.890) 10.497 16.645 ( 0.025 -0.959 -0.718) 1.199 16.706 ( -2.372 4.847 0.217) 5.400 17.533 ( 3.500 -1.417 2.493) 4.524 17.541 ( 1.649 1.063 -1.048) 2.224 17.628 ( 0.003 1.838 0.097) 1.841 19.202 ( -1.475 -3.525 1.703) 4.183 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 1.764 21.664 16.728) 27.427 1.865 ( 10.537 9.391 -6.134) 15.389 1.941 ( 2.964 -0.769 -2.417) 3.901 2.519 ( 7.668 -3.671 9.439) 12.703 2.832 ( -0.860 -7.570 -0.696) 7.651 3.540 ( -15.414 -8.975 -5.501) 18.666 5.103 ( -7.834 -3.483 -8.667) 12.191 5.380 ( -1.874 -2.322 -0.244) 2.994 6.109 ( 0.717 1.408 1.085) 1.917 6.486 ( 1.912 0.015 -0.735) 2.048 6.928 ( 0.984 1.361 0.244) 1.697 7.289 ( 2.362 7.653 14.582) 16.637 7.738 ( 5.062 9.879 -3.226) 11.559 8.077 ( 1.272 1.053 -0.017) 1.651 8.347 ( 18.392 -9.510 2.909) 20.908 8.495 ( -6.180 -2.786 3.398) 7.582 9.120 ( -0.702 -3.908 -6.819) 7.891 9.697 ( -12.961 2.120 -2.376) 13.346 16.638 ( 0.312 -0.376 -0.827) 0.960 16.716 ( -1.804 3.809 0.696) 4.272 17.541 ( 1.180 -3.046 2.452) 4.085 17.607 ( 2.128 2.051 -0.628) 3.022 17.635 ( -0.114 1.092 -0.798) 1.357 19.164 ( -0.747 -2.354 1.028) 2.675 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.073 11.002 9.767) 14.712 1.799 ( -5.433 -3.046 -5.580) 8.362 2.068 ( 4.566 8.217 -4.220) 10.304 2.704 ( 5.360 -5.174 3.399) 8.189 2.807 ( 6.145 -1.821 5.453) 8.415 3.270 ( -7.336 -4.620 -2.481) 9.018 4.911 ( -6.615 -2.004 -6.182) 9.273 5.330 ( -1.389 -1.698 -0.415) 2.233 6.135 ( 0.532 0.848 0.675) 1.207 6.512 ( 1.408 -0.100 -0.155) 1.420 6.952 ( 0.519 0.773 0.131) 0.940 7.505 ( 4.314 9.599 13.210) 16.889 7.852 ( 3.732 2.658 -6.954) 8.327 8.066 ( -1.578 -0.968 -0.643) 1.960 8.259 ( -5.973 -5.513 0.051) 8.129 8.704 ( 17.403 -5.623 8.266) 20.070 9.050 ( -0.503 1.039 -8.460) 8.538 9.486 ( -13.528 1.417 -1.136) 13.650 16.637 ( 0.250 -0.022 -0.592) 0.642 16.725 ( -0.964 2.024 0.634) 2.330 17.552 ( 2.090 -3.687 3.094) 5.248 17.607 ( -2.674 3.570 -2.877) 5.308 17.662 ( 1.982 -0.334 0.143) 2.015 19.146 ( -0.229 -1.056 0.564) 1.218 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.000 0.000 0.000) 0.000 1.766 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 -0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 5.309 ( 0.000 0.000 0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 6.522 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 7.699 ( -0.000 -0.000 -0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 8.056 ( 0.000 0.000 0.000) 0.000 8.182 ( 0.000 0.000 0.000) 0.000 8.869 ( 0.000 0.000 0.000) 0.000 9.032 ( 0.000 0.000 0.000) 0.000 9.349 ( -0.000 0.000 0.000) 0.000 16.637 ( 0.000 0.000 0.000) 0.000 16.728 ( 0.000 0.000 0.000) 0.000 17.573 ( -0.000 0.000 -0.000) 0.000 17.580 ( 0.000 -0.000 0.000) 0.000 17.677 ( 0.000 0.000 0.000) 0.000 19.142 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 19.419 14.595 4.489) 24.704 0.455 ( 3.266 8.522 23.890) 25.574 0.852 ( -8.755 30.866 23.126) 39.549 3.083 ( 0.665 -3.864 -4.610) 6.052 3.108 ( -2.149 -3.873 -0.608) 4.471 4.798 ( 0.246 -15.022 -12.291) 19.411 5.394 ( 0.239 0.248 1.120) 1.172 5.471 ( -4.744 2.797 1.640) 5.746 6.038 ( 2.980 -1.688 5.807) 6.742 6.693 ( -2.077 -2.323 3.416) 4.624 6.778 ( 10.546 -1.596 -13.130) 16.917 6.833 ( -1.840 1.038 3.487) 4.077 7.164 ( -1.364 2.049 -2.014) 3.181 7.469 ( -4.692 20.776 5.674) 22.042 8.016 ( 0.560 -1.609 4.580) 4.887 9.068 ( -0.889 -12.532 20.874) 24.363 9.397 ( -4.505 -0.302 -0.568) 4.550 9.959 ( 4.287 -7.595 -13.619) 16.173 16.688 ( 0.283 -0.909 0.347) 1.013 16.720 ( 3.592 1.947 0.847) 4.173 17.399 ( -0.496 2.824 1.610) 3.289 17.491 ( -0.086 4.073 -5.787) 7.077 17.567 ( -0.057 2.034 0.768) 2.175 19.335 ( -2.125 -9.921 9.094) 13.625 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 23.821 5.723 13.172) 27.816 0.894 ( 20.439 12.485 10.122) 26.002 1.152 ( -4.716 29.741 22.177) 37.398 2.938 ( -8.407 -3.929 -8.148) 12.349 3.009 ( -2.979 -7.819 -0.050) 8.367 4.495 ( -10.092 -15.979 -12.021) 22.398 5.376 ( -2.826 1.727 -6.714) 7.487 5.445 ( -0.917 -0.474 5.821) 5.912 6.075 ( 0.352 -0.513 1.256) 1.402 6.562 ( -5.915 -0.231 -2.448) 6.405 6.861 ( 0.465 1.631 2.860) 3.325 7.048 ( 17.215 -9.299 11.786) 22.842 7.190 ( 9.062 4.177 -10.857) 14.745 7.614 ( -5.078 20.726 6.732) 22.376 8.053 ( 1.358 1.762 3.154) 3.860 8.938 ( -9.910 -12.044 10.793) 18.968 9.292 ( -3.505 -0.177 -5.373) 6.417 9.951 ( 6.845 -6.652 -8.533) 12.803 16.670 ( -1.209 -0.700 -0.120) 1.402 16.785 ( -0.539 3.642 2.545) 4.476 17.432 ( 0.869 3.200 0.351) 3.335 17.520 ( 1.444 1.685 -0.554) 2.288 17.599 ( 1.040 1.922 0.605) 2.268 19.237 ( -2.114 -8.614 2.471) 9.208 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 19.000 10.505 2.403) 21.844 1.386 ( 20.101 6.284 16.691) 26.872 1.496 ( 2.088 24.284 16.839) 29.625 2.689 ( -10.882 -4.532 -7.869) 14.173 2.880 ( -2.540 -9.211 -0.659) 9.577 4.082 ( -15.508 -14.593 -9.122) 23.166 5.284 ( -4.049 0.514 -9.738) 10.558 5.450 ( -1.702 -2.191 4.948) 5.673 6.075 ( 0.729 -0.748 -0.808) 1.321 6.490 ( -2.529 1.264 -0.842) 2.950 6.901 ( 0.645 1.863 2.036) 2.834 7.179 ( 3.528 -2.281 10.562) 11.367 7.465 ( 24.647 -2.778 -7.777) 25.994 7.763 ( -2.233 15.573 7.828) 17.572 8.122 ( 1.146 4.564 2.191) 5.191 8.714 ( -6.794 -12.930 0.820) 14.629 9.211 ( -4.119 -0.238 -2.400) 4.773 9.920 ( 0.364 -3.862 -5.545) 6.767 16.644 ( -0.978 -0.658 -0.214) 1.197 16.805 ( -2.941 4.411 1.956) 5.651 17.484 ( 2.644 0.150 0.868) 2.787 17.550 ( 0.006 2.641 1.316) 2.950 17.634 ( 0.938 1.466 0.098) 1.743 19.151 ( 0.639 -8.178 -1.182) 8.287 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 9.463 9.847 2.496) 13.883 1.762 ( 7.351 6.549 9.121) 13.421 1.834 ( 10.093 10.524 4.590) 15.287 2.493 ( -3.151 -1.911 0.743) 3.760 2.771 ( -1.123 -6.893 0.933) 7.046 3.662 ( -15.527 -11.919 -5.273) 20.271 5.144 ( -6.334 -0.100 -10.350) 12.135 5.407 ( -3.184 -2.802 2.900) 5.138 6.082 ( 2.111 -1.793 -0.608) 2.835 6.488 ( -0.184 2.833 0.211) 2.847 6.935 ( 0.378 1.467 1.539) 2.159 7.303 ( 6.600 1.451 6.029) 9.057 7.717 ( 12.720 -0.697 -8.033) 15.061 7.958 ( 9.437 4.611 10.387) 14.771 8.158 ( -0.936 -1.071 -0.382) 1.473 8.534 ( -3.107 -5.893 -1.091) 6.750 9.129 ( -4.824 0.501 -0.769) 4.911 9.827 ( -5.309 -1.927 -3.896) 6.861 16.628 ( -0.140 -0.512 -0.444) 0.691 16.800 ( -3.360 3.534 1.186) 5.019 17.504 ( 1.293 -4.071 2.134) 4.775 17.600 ( 1.098 4.376 0.995) 4.620 17.653 ( -0.109 1.547 -0.770) 1.731 19.096 ( 2.839 -7.211 -2.911) 8.279 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.337 -3.121 -4.271) 5.300 1.808 ( -2.929 2.186 1.249) 3.862 2.020 ( 5.763 5.693 -5.883) 10.012 2.630 ( 9.940 4.107 10.554) 15.068 2.753 ( 0.568 -0.306 6.901) 6.931 3.339 ( -10.227 -8.315 -1.414) 13.256 4.976 ( -7.382 0.400 -8.198) 11.040 5.348 ( -2.511 -1.869 1.456) 3.452 6.096 ( 2.633 -3.126 -0.329) 4.100 6.524 ( 0.083 4.074 0.477) 4.102 6.956 ( 0.072 0.554 1.185) 1.310 7.478 ( 9.394 3.452 0.828) 10.042 7.769 ( 3.879 -6.519 -7.814) 10.891 8.065 ( -1.826 -3.335 -2.793) 4.718 8.223 ( 9.199 -0.454 7.887) 12.126 8.518 ( 4.116 -0.538 3.600) 5.494 9.073 ( -3.665 3.698 -0.582) 5.239 9.672 ( -9.870 -1.084 -2.735) 10.299 16.624 ( 0.510 -0.366 -0.660) 0.911 16.778 ( -2.956 1.648 0.563) 3.431 17.496 ( 1.770 -4.990 2.350) 5.793 17.645 ( -0.834 0.962 -0.237) 1.295 17.666 ( 0.223 4.725 -0.189) 4.734 19.073 ( 4.117 -5.984 -3.797) 8.196 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -0.416 -1.008 -3.983) 4.129 1.741 ( -3.119 -8.030 -3.333) 9.237 2.077 ( 3.467 -0.945 -5.956) 6.956 2.797 ( -3.214 9.629 6.864) 12.254 2.877 ( 5.805 0.311 6.385) 8.635 3.181 ( -1.772 -4.639 1.317) 5.137 4.856 ( -3.809 1.963 -2.965) 5.211 5.321 ( -0.855 0.288 1.389) 1.657 6.101 ( 2.428 -4.228 -0.433) 4.895 6.561 ( -1.193 4.804 0.353) 4.963 6.962 ( -0.178 -0.465 0.988) 1.106 7.539 ( 2.383 -10.478 -17.843) 20.829 7.765 ( 8.126 -0.994 6.026) 10.165 8.040 ( 1.219 0.115 -1.611) 2.024 8.266 ( -6.502 3.089 0.869) 7.251 8.719 ( 17.235 -5.805 10.257) 20.879 9.068 ( -3.859 7.943 -2.115) 9.080 9.474 ( -11.468 -1.023 -1.196) 11.576 16.627 ( 0.727 -0.352 -0.512) 0.957 16.744 ( -2.142 -0.266 -0.027) 2.159 17.504 ( 3.133 -4.774 2.629) 6.286 17.626 ( -2.040 1.850 -1.730) 3.252 17.706 ( -0.767 3.812 0.759) 3.961 19.070 ( 4.588 -4.821 -4.334) 7.943 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -4.432 -14.405 -9.813) 17.985 1.749 ( 6.407 2.181 2.340) 7.162 2.057 ( -0.259 -5.537 0.373) 5.556 2.845 ( -4.252 8.099 2.484) 9.478 2.888 ( -5.867 0.875 -3.622) 6.950 3.208 ( 5.684 -0.021 3.436) 6.642 4.883 ( 3.574 4.027 3.474) 6.408 5.343 ( 0.428 2.638 2.491) 3.653 6.090 ( 1.878 -4.833 -0.638) 5.225 6.574 ( -2.918 4.655 0.281) 5.501 6.954 ( -0.523 -1.156 1.017) 1.626 7.316 ( 0.174 -15.089 -18.130) 23.588 7.922 ( 1.920 -0.061 5.423) 5.753 8.050 ( 0.724 0.670 -1.896) 2.137 8.200 ( 0.629 1.870 -2.834) 3.453 8.987 ( -1.428 -3.115 -2.141) 4.040 9.010 ( 1.947 6.310 9.640) 11.686 9.347 ( -0.964 -0.035 0.271) 1.002 16.634 ( 0.682 -0.519 0.251) 0.893 16.708 ( -1.246 -1.355 -0.465) 1.899 17.535 ( 3.687 -4.104 2.754) 6.166 17.600 ( -2.208 2.564 -1.947) 3.904 17.716 ( -2.411 2.820 0.462) 3.739 19.080 ( 4.704 -3.484 -4.537) 7.406 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -7.103 -18.494 -12.450) 23.398 1.931 ( 6.189 2.514 5.349) 8.557 1.956 ( -4.798 -9.147 6.283) 12.090 2.681 ( -14.293 4.471 -12.657) 19.608 2.876 ( 0.090 4.010 0.104) 4.013 3.402 ( 13.373 4.055 4.748) 14.759 5.059 ( 8.146 5.694 5.893) 11.554 5.401 ( 0.380 3.750 4.026) 5.515 6.067 ( 1.325 -4.793 -0.649) 5.015 6.558 ( -4.055 3.554 0.901) 5.467 6.935 ( -1.080 -1.649 1.122) 2.268 7.092 ( 1.286 -13.156 -17.353) 21.814 7.826 ( -9.966 -3.318 2.128) 10.718 8.066 ( 0.727 -0.498 -0.434) 0.982 8.328 ( 11.839 2.928 -5.035) 13.194 8.722 ( -19.958 2.433 -4.050) 20.510 9.221 ( 1.733 6.042 11.819) 13.386 9.436 ( 13.670 -4.797 -0.393) 14.492 16.642 ( 0.704 -1.295 1.633) 2.200 16.678 ( -0.696 -0.837 -0.615) 1.250 17.568 ( 2.471 -3.234 1.695) 4.409 17.584 ( -1.463 2.778 -0.864) 3.257 17.685 ( -3.939 1.359 -0.356) 4.182 19.105 ( 4.785 -1.819 -4.425) 6.766 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -9.970 -18.109 -9.879) 22.911 1.708 ( -14.586 -15.713 9.901) 23.615 1.973 ( -13.765 4.327 -7.496) 16.259 2.537 ( 2.533 6.139 -3.892) 7.697 2.931 ( 3.497 2.761 -2.109) 4.930 3.751 ( 20.493 5.772 5.033) 21.877 5.274 ( 7.699 6.196 2.662) 10.235 5.455 ( -1.115 2.924 5.161) 6.035 6.042 ( 1.032 -4.070 0.007) 4.199 6.531 ( -3.633 2.288 2.938) 5.203 6.892 ( 0.728 -6.845 -4.344) 8.140 6.937 ( 0.667 -4.786 -9.865) 10.985 7.639 ( -10.204 -3.069 0.987) 10.701 8.055 ( -0.496 -1.286 -0.782) 1.585 8.342 ( -17.714 -1.391 -5.075) 18.479 8.553 ( 7.585 5.157 -3.875) 9.957 9.323 ( -1.932 7.066 6.013) 9.477 9.638 ( 15.853 -6.065 2.560) 17.166 16.645 ( 1.052 -3.298 1.662) 3.840 16.673 ( -0.648 1.952 1.288) 2.427 17.565 ( -0.659 0.645 -1.132) 1.460 17.596 ( -0.376 -0.313 2.451) 2.499 17.615 ( -4.197 -0.450 -1.714) 4.556 19.147 ( 4.734 -0.353 -4.321) 6.419 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -12.783 -7.439 1.859) 14.906 1.321 ( -20.931 -19.001 10.947) 30.314 1.578 ( -28.245 6.393 -16.891) 33.525 2.741 ( 12.026 5.042 2.820) 13.342 3.004 ( 5.196 0.553 -3.082) 6.067 4.187 ( 23.910 4.487 4.024) 24.658 5.403 ( 2.175 2.729 -3.146) 4.699 5.483 ( -1.227 2.533 3.536) 4.519 6.028 ( 0.556 -2.636 1.881) 3.285 6.536 ( -0.736 1.813 5.305) 5.654 6.821 ( 4.752 -7.083 -7.760) 11.531 6.883 ( -2.240 -0.183 -0.780) 2.379 7.466 ( -9.545 -1.020 0.599) 9.618 7.972 ( -16.715 -3.169 -6.789) 18.318 8.032 ( -5.814 0.997 2.074) 6.252 8.712 ( 9.077 2.903 -4.821) 10.680 9.370 ( -0.596 3.170 0.894) 3.347 9.838 ( 12.138 -3.393 3.928) 13.202 16.646 ( 1.406 -2.348 1.326) 3.041 16.697 ( -0.803 2.392 3.427) 4.256 17.519 ( -5.135 -0.432 -0.979) 5.245 17.558 ( -0.405 -0.209 -0.623) 0.772 17.594 ( -1.107 -0.167 0.931) 1.456 19.194 ( 4.218 0.166 -4.338) 6.053 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -13.541 18.842 21.471) 31.613 0.833 ( -25.128 -20.353 11.817) 34.429 1.064 ( -31.963 8.548 -16.118) 36.803 2.973 ( 10.050 2.231 1.693) 10.433 3.060 ( 5.185 -2.193 -3.937) 6.870 4.602 ( 22.562 -0.089 0.480) 22.568 5.392 ( -1.584 -0.026 -1.040) 1.895 5.477 ( -1.447 0.377 -4.268) 4.522 6.029 ( -1.076 -0.265 3.451) 3.624 6.590 ( 3.297 -0.543 1.025) 3.495 6.835 ( 0.228 -0.490 -1.016) 1.150 6.866 ( 2.991 0.648 6.936) 7.581 7.329 ( -8.813 2.400 1.352) 9.233 7.611 ( -18.371 -2.291 -8.613) 20.419 7.994 ( -2.302 0.286 1.546) 2.788 8.829 ( 6.109 0.467 -1.988) 6.442 9.375 ( 1.009 -0.806 -3.253) 3.500 10.005 ( 7.615 0.293 4.179) 8.691 16.662 ( 1.646 -1.037 1.106) 2.238 16.721 ( -1.301 1.348 3.349) 3.837 17.434 ( -4.108 -0.342 -0.617) 4.168 17.548 ( 0.099 -0.361 -1.673) 1.714 17.576 ( -1.998 0.411 1.729) 2.674 19.231 ( 3.100 0.031 -2.662) 4.086 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( -8.049 0.203 17.035) 18.842 0.795 ( -18.454 8.499 8.311) 21.951 1.397 ( -9.089 27.908 21.175) 36.192 2.929 ( 8.630 -5.467 -4.131) 11.019 3.083 ( 0.797 -2.931 -1.331) 3.316 4.480 ( 10.431 -16.868 -12.793) 23.601 5.400 ( 0.259 2.057 -3.729) 4.267 5.544 ( 3.309 4.246 4.294) 6.886 6.007 ( -0.608 -3.629 2.067) 4.220 6.526 ( 5.626 -2.051 -4.010) 7.207 6.805 ( -5.444 -2.397 -1.238) 6.076 6.930 ( -7.339 -5.486 8.960) 12.816 7.229 ( -5.373 5.660 -6.442) 10.119 7.772 ( -4.007 21.910 8.606) 23.879 8.028 ( -0.485 -0.038 3.647) 3.680 9.001 ( 8.514 -7.515 14.192) 18.176 9.399 ( 5.408 2.839 -0.145) 6.110 9.805 ( -7.394 -14.120 -17.043) 23.335 16.652 ( 2.329 -0.742 0.436) 2.483 16.695 ( 1.338 0.952 -0.195) 1.654 17.449 ( -1.231 3.907 0.656) 4.149 17.520 ( -2.092 2.143 -1.933) 3.564 17.595 ( -0.459 0.644 1.936) 2.091 19.302 ( 1.052 -6.317 3.935) 7.517 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 17.947 12.582 2.562) 22.067 0.844 ( 5.429 5.502 21.027) 22.403 1.637 ( -6.882 26.412 19.544) 33.570 2.928 ( 0.020 -4.913 -5.868) 7.653 2.997 ( -4.361 -6.718 -1.430) 8.136 4.334 ( 1.190 -17.613 -12.834) 21.826 5.402 ( -0.571 2.636 -4.789) 5.496 5.547 ( -7.155 1.741 3.248) 8.049 6.031 ( 4.005 -2.793 0.119) 4.884 6.598 ( 3.924 -4.610 -6.513) 8.892 6.716 ( 6.416 -2.768 6.836) 9.775 6.903 ( -1.097 0.871 4.513) 4.725 7.183 ( -2.413 3.191 -3.190) 5.117 7.916 ( -4.782 15.200 4.413) 16.534 8.083 ( 0.623 6.797 6.314) 9.298 9.009 ( -6.471 -18.028 10.525) 21.856 9.340 ( -7.001 -0.893 -6.988) 9.932 9.666 ( 12.598 -3.809 -10.434) 16.796 16.678 ( -0.255 -0.623 0.607) 0.907 16.777 ( 5.532 2.816 1.083) 6.301 17.476 ( -2.004 2.739 1.204) 3.601 17.507 ( 1.311 2.853 -2.249) 3.863 17.615 ( 0.344 1.222 1.811) 2.212 19.207 ( -3.646 -10.495 0.958) 11.151 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 20.853 7.231 4.792) 22.586 1.214 ( 17.831 6.927 13.946) 23.673 1.871 ( -4.810 20.727 15.640) 26.407 2.768 ( -9.208 -3.353 -7.813) 12.533 2.858 ( -3.788 -6.819 1.474) 7.938 4.068 ( -6.767 -15.678 -9.487) 19.535 5.331 ( -6.140 3.102 -9.708) 11.898 5.492 ( -2.673 -2.175 6.203) 7.096 6.036 ( 1.147 -1.672 -3.811) 4.317 6.536 ( -2.007 -0.465 -1.747) 2.701 6.924 ( 1.684 -0.230 4.968) 5.251 6.984 ( 21.112 -7.322 4.944) 22.886 7.179 ( 1.011 2.624 -3.084) 4.174 7.972 ( -2.700 7.644 2.385) 8.450 8.214 ( -2.036 12.956 5.033) 14.048 8.686 ( -8.405 -18.571 -2.627) 20.553 9.274 ( -2.875 1.835 -0.554) 3.455 9.770 ( 8.393 -3.564 -4.926) 10.364 16.658 ( -1.449 -0.272 -0.182) 1.486 16.869 ( 1.063 2.591 2.118) 3.511 17.467 ( -0.256 0.721 -1.248) 1.464 17.569 ( 2.421 2.160 1.870) 3.745 17.643 ( 0.261 2.032 0.597) 2.134 19.050 ( -1.662 -11.589 -2.633) 12.000 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 17.943 3.656 1.608) 18.382 1.625 ( 16.778 5.629 6.860) 18.980 1.992 ( -4.442 6.087 5.291) 9.207 2.554 ( -7.067 -3.884 -2.642) 8.485 2.806 ( -3.156 4.640 6.784) 8.804 3.741 ( -11.880 -12.932 -4.644) 18.164 5.192 ( -6.370 2.046 -10.772) 12.681 5.454 ( -3.323 -3.194 4.714) 6.593 6.016 ( 1.848 -2.234 -4.109) 5.029 6.522 ( -0.146 2.003 0.365) 2.041 6.959 ( -0.066 1.312 2.602) 2.915 7.234 ( 5.219 3.425 -4.839) 7.898 7.286 ( 22.872 -13.211 4.922) 26.868 8.020 ( 0.199 4.495 3.186) 5.513 8.190 ( -6.459 -5.124 -4.973) 9.629 8.532 ( -0.462 2.839 1.314) 3.162 9.234 ( -4.965 2.223 2.401) 5.946 9.799 ( 2.248 -3.192 -3.764) 5.423 16.632 ( -1.217 -0.158 -0.453) 1.308 16.885 ( -2.704 2.080 1.619) 3.776 17.459 ( 0.710 -2.601 -0.548) 2.751 17.632 ( 1.553 1.082 3.015) 3.560 17.670 ( -0.121 4.056 -0.467) 4.084 18.930 ( 3.103 -11.472 -5.659) 13.163 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 7.883 -2.085 -2.601) 8.559 1.828 ( 1.642 1.446 -4.621) 5.113 1.936 ( 0.325 -3.787 -5.404) 6.607 2.547 ( 8.184 -1.379 9.655) 12.732 2.903 ( -3.003 12.987 10.397) 16.905 3.426 ( -12.000 -9.974 0.068) 15.604 5.050 ( -6.440 2.257 -9.316) 11.548 5.391 ( -3.553 -2.212 3.208) 5.273 6.008 ( 2.935 -3.625 -3.014) 5.553 6.564 ( 0.971 4.054 1.060) 4.301 6.974 ( -0.643 0.490 1.731) 1.910 7.333 ( 8.533 2.651 -14.289) 16.852 7.480 ( 13.980 -16.282 6.600) 22.452 8.016 ( -0.083 -7.148 -5.608) 9.086 8.125 ( 6.560 0.941 5.641) 8.703 8.577 ( -3.605 7.265 0.801) 8.150 9.202 ( -4.906 4.972 4.394) 8.252 9.741 ( -3.422 -2.836 -3.127) 5.434 16.615 ( -0.368 -0.140 -0.665) 0.773 16.850 ( -4.009 0.821 0.759) 4.162 17.437 ( 1.001 -4.319 0.255) 4.441 17.659 ( 0.161 -0.352 1.285) 1.342 17.719 ( -0.166 5.982 1.111) 6.086 18.872 ( 6.847 -10.447 -7.442) 14.540 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -0.042 -4.775 -4.663) 6.674 1.705 ( -5.190 -7.517 -5.721) 10.778 1.955 ( 5.833 -0.000 -8.228) 10.086 2.791 ( 11.293 0.387 10.492) 15.420 3.016 ( -4.074 11.526 6.781) 13.979 3.195 ( -7.559 -7.550 3.000) 11.097 4.935 ( -5.385 3.307 -4.785) 7.927 5.359 ( -1.645 0.991 3.024) 3.582 6.005 ( 3.193 -4.868 -1.962) 6.143 6.627 ( 0.173 5.657 0.941) 5.737 6.969 ( -0.746 -0.751 1.250) 1.638 7.279 ( 3.078 -12.388 -19.600) 23.390 7.612 ( 11.269 -3.076 5.199) 12.786 7.990 ( 3.402 -1.939 -2.933) 4.892 8.312 ( 10.162 -1.019 3.997) 10.967 8.545 ( -2.820 -0.207 1.705) 3.302 9.227 ( -3.849 8.927 4.967) 10.916 9.606 ( -8.052 -2.696 -2.416) 8.829 16.610 ( 0.421 -0.170 -0.753) 0.880 16.790 ( -3.826 -0.378 0.200) 3.850 17.428 ( 2.440 -4.124 1.223) 4.945 17.656 ( -0.896 0.426 -0.029) 0.992 17.771 ( -1.131 5.091 1.799) 5.516 18.864 ( 8.575 -8.879 -7.932) 14.672 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -7.138 -11.595 -5.020) 14.512 1.671 ( 5.389 1.582 -1.804) 5.899 1.981 ( 3.420 -2.843 -3.957) 5.953 2.933 ( -0.313 -1.203 4.509) 4.677 3.039 ( -8.200 8.348 0.899) 11.736 3.116 ( 4.910 -5.045 2.380) 7.431 4.910 ( -0.226 4.631 0.890) 4.722 5.395 ( -0.089 4.637 4.456) 6.431 5.997 ( 2.895 -5.494 -0.835) 6.265 6.672 ( -2.179 6.211 0.425) 6.596 6.956 ( -0.369 -1.655 1.513) 2.272 7.064 ( 0.476 -14.529 -17.575) 22.808 7.813 ( 11.919 0.568 1.589) 12.037 8.015 ( 2.572 -0.509 -2.102) 3.360 8.294 ( -9.497 1.961 -4.173) 10.557 8.678 ( 18.361 -9.350 6.904) 21.731 9.264 ( -7.543 9.967 2.889) 12.829 9.435 ( -7.659 -1.892 0.186) 7.891 16.615 ( 0.860 -0.242 -0.462) 1.006 16.732 ( -2.838 -0.595 0.234) 2.909 17.453 ( 3.686 -3.484 2.068) 5.477 17.643 ( -1.455 1.679 -0.934) 2.409 17.790 ( -2.627 3.265 1.476) 4.443 18.888 ( 8.894 -6.656 -7.238) 13.259 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -10.785 -8.809 -2.982) 14.241 1.835 ( 10.674 2.976 3.369) 11.582 1.959 ( -0.810 -6.391 2.082) 6.770 2.852 ( -8.783 0.485 -4.583) 9.919 2.947 ( -7.405 3.492 -3.727) 8.995 3.233 ( 11.580 -2.092 2.146) 11.961 5.023 ( 6.029 5.625 3.778) 9.070 5.475 ( -0.122 5.741 5.351) 7.849 5.988 ( 2.290 -5.280 0.743) 5.803 6.673 ( -4.200 4.967 0.484) 6.523 6.851 ( 0.333 -12.122 -13.897) 18.444 6.950 ( -0.087 -0.831 0.919) 1.242 7.947 ( -1.762 -1.957 3.777) 4.605 8.046 ( 2.755 1.689 -2.316) 3.976 8.162 ( 1.191 1.529 -8.577) 8.794 8.853 ( 5.649 -9.836 0.374) 11.349 9.198 ( -1.879 2.483 2.912) 4.263 9.401 ( -2.363 4.713 4.683) 7.051 16.623 ( 0.645 -0.769 0.144) 1.014 16.699 ( -1.406 0.604 1.052) 1.857 17.495 ( 3.660 -3.202 1.903) 5.222 17.633 ( -1.524 2.902 -1.299) 3.526 17.762 ( -4.091 0.996 0.795) 4.285 18.940 ( 8.387 -3.909 -5.808) 10.925 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -13.941 -0.123 5.180) 14.873 1.827 ( -9.052 -12.152 9.109) 17.680 2.049 ( 6.079 3.432 2.214) 7.323 2.634 ( -12.200 5.977 -11.917) 18.071 2.877 ( 0.250 -1.783 -4.006) 4.392 3.478 ( 19.028 -0.333 1.669) 19.104 5.212 ( 7.935 5.405 1.965) 9.800 5.532 ( -1.135 2.606 2.633) 3.875 5.987 ( 1.790 -3.862 2.779) 5.084 6.651 ( -5.206 3.726 3.742) 7.415 6.704 ( 2.231 -7.497 -10.236) 12.882 6.946 ( -1.244 0.291 1.472) 1.949 7.811 ( -11.460 -0.090 1.418) 11.548 8.046 ( -0.677 -0.319 -1.685) 1.844 8.277 ( 11.133 0.841 -8.395) 13.969 8.675 ( -12.869 -3.228 -2.724) 13.545 9.307 ( 10.061 -6.741 -2.159) 12.301 9.483 ( 2.485 7.100 10.511) 12.925 16.621 ( 0.196 -1.293 0.586) 1.433 16.713 ( -0.156 2.262 2.702) 3.527 17.522 ( 2.477 -2.954 0.041) 3.855 17.630 ( -1.610 2.591 -1.577) 3.434 17.696 ( -4.857 -0.186 1.511) 5.090 19.013 ( 7.279 -1.443 -4.391) 8.623 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -14.043 14.589 17.043) 26.467 1.544 ( -18.016 -15.802 13.482) 27.496 1.949 ( -19.749 5.191 -10.761) 23.082 2.618 ( 8.223 4.716 -1.801) 9.649 2.868 ( 5.303 -3.526 -6.596) 9.168 3.828 ( 23.894 -1.083 0.520) 23.924 5.362 ( 4.824 3.306 -1.346) 6.001 5.508 ( -1.305 -2.233 -3.531) 4.376 6.012 ( 1.665 -1.144 4.254) 4.709 6.581 ( -2.132 -2.879 -2.844) 4.574 6.727 ( 1.878 3.643 7.274) 8.349 6.930 ( -2.540 0.976 1.923) 3.332 7.649 ( -10.999 2.665 1.745) 11.451 7.999 ( -2.904 -1.527 -4.683) 5.718 8.246 ( -10.886 -2.361 -4.561) 12.036 8.572 ( 5.842 1.537 -3.312) 6.890 9.324 ( 3.674 -5.530 -5.371) 8.540 9.704 ( 9.100 3.845 10.239) 14.228 16.621 ( 0.668 -0.866 0.886) 1.407 16.753 ( -0.336 2.235 3.794) 4.416 17.520 ( 1.146 -2.455 -2.293) 3.550 17.585 ( -3.829 -0.172 -0.729) 3.902 17.653 ( -2.944 1.424 2.195) 3.938 19.090 ( 5.753 0.157 -3.064) 6.520 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -11.719 24.777 22.950) 35.748 1.136 ( -24.235 -16.818 15.868) 33.496 1.542 ( -27.926 7.919 -12.638) 31.659 2.793 ( 11.050 -3.939 -3.183) 12.155 2.914 ( 7.628 0.021 -3.988) 8.607 4.188 ( 24.330 -5.177 -2.767) 25.029 5.404 ( -0.157 -0.584 -0.197) 0.636 5.442 ( 0.761 -1.495 -8.143) 8.314 6.054 ( 0.556 0.470 3.239) 3.320 6.526 ( 0.690 -2.682 -3.136) 4.184 6.853 ( 0.786 2.577 6.997) 7.498 6.930 ( -0.921 3.172 10.482) 10.990 7.539 ( -9.818 4.469 6.402) 12.544 7.795 ( -14.603 0.530 -14.676) 20.711 8.077 ( -5.885 -0.024 2.628) 6.446 8.699 ( 8.968 -0.474 -0.843) 9.020 9.295 ( 2.718 -3.324 -6.032) 7.404 9.921 ( 8.203 1.440 6.275) 10.428 16.637 ( 1.330 -0.225 0.805) 1.571 16.766 ( -1.732 -0.876 2.190) 2.926 17.486 ( -2.241 -0.219 -1.062) 2.490 17.540 ( -1.137 0.003 -0.352) 1.190 17.628 ( -2.592 0.512 1.091) 2.859 19.165 ( 4.474 1.106 -0.624) 4.651 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -21.751 -6.365 19.341) 29.794 1.210 ( -21.467 6.009 -0.928) 22.311 1.861 ( -6.062 20.583 14.392) 25.836 2.715 ( 9.898 -1.893 0.207) 10.079 3.020 ( 3.309 -1.583 -1.108) 3.832 4.052 ( 14.615 -15.980 -11.326) 24.439 5.347 ( 5.325 3.275 -11.170) 12.801 5.497 ( 6.576 -1.121 6.996) 9.667 6.020 ( -3.568 -3.529 0.621) 5.057 6.464 ( -0.348 0.974 -2.622) 2.819 6.854 ( -3.274 -0.981 -0.047) 3.418 7.052 ( -8.058 -8.791 13.997) 18.389 7.360 ( -9.483 6.350 -9.289) 14.715 8.018 ( -2.043 5.355 0.018) 5.732 8.152 ( -5.371 16.474 12.048) 21.105 8.839 ( 11.148 -7.530 8.695) 16.018 9.305 ( 7.403 4.044 -6.435) 10.609 9.699 ( -6.055 -15.666 -11.100) 20.132 16.625 ( 0.169 -0.914 -0.342) 0.990 16.685 ( 0.850 0.214 0.982) 1.316 17.506 ( -2.047 3.135 -2.597) 4.556 17.575 ( -1.580 2.757 2.458) 4.018 17.609 ( -0.358 -1.035 1.673) 1.999 19.239 ( 1.767 -4.879 0.613) 5.225 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 0.015 7.151 9.644) 12.006 1.026 ( -9.200 3.630 11.636) 15.271 2.027 ( -3.809 16.258 10.944) 19.965 2.842 ( 4.290 1.401 2.410) 5.116 2.987 ( -2.423 -5.013 -2.190) 5.983 4.017 ( 8.869 -16.836 -11.651) 22.313 5.379 ( 2.414 3.543 -9.455) 10.382 5.638 ( 3.509 0.747 2.966) 4.655 5.936 ( -0.210 -5.929 1.368) 6.088 6.446 ( 1.073 -2.182 -2.771) 3.687 6.763 ( -5.057 -2.633 3.097) 6.488 6.966 ( -3.330 -2.433 7.881) 8.895 7.259 ( -5.354 5.303 -6.330) 9.842 8.019 ( -0.910 2.043 -0.547) 2.303 8.310 ( -4.320 17.900 11.690) 21.811 8.903 ( 2.343 -20.462 4.354) 21.051 9.363 ( -3.039 -5.113 -16.593) 17.627 9.455 ( 5.390 2.298 1.295) 6.001 16.671 ( 2.275 0.356 2.673) 3.528 16.719 ( 3.770 2.456 -0.833) 4.576 17.505 ( 0.235 3.301 -3.289) 4.666 17.560 ( -4.202 2.304 1.358) 4.981 17.616 ( 1.061 -1.404 2.643) 3.175 19.158 ( -2.522 -10.674 -1.719) 11.102 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 15.203 10.590 0.927) 18.551 1.137 ( 8.069 2.380 17.626) 19.530 2.136 ( -3.160 7.072 5.027) 9.234 2.825 ( -7.383 -5.846 -4.820) 10.579 2.918 ( -2.436 6.102 6.842) 9.485 3.907 ( 2.669 -14.366 -8.147) 16.729 5.372 ( -1.229 3.500 -10.510) 11.145 5.592 ( -7.695 -1.489 3.805) 8.712 5.944 ( 4.987 -3.657 -4.691) 7.762 6.443 ( 5.770 -6.757 -2.098) 9.130 6.753 ( 3.467 -1.971 7.026) 8.079 6.965 ( -0.574 0.196 4.596) 4.636 7.204 ( -2.734 3.009 -3.359) 5.274 8.027 ( -0.114 2.012 -0.437) 2.062 8.449 ( -6.659 11.885 4.268) 14.276 8.592 ( -5.055 -20.211 -4.970) 21.418 9.311 ( 0.439 2.468 -0.931) 2.674 9.593 ( 8.300 0.212 -1.133) 8.380 16.681 ( -1.185 0.175 0.536) 1.312 16.846 ( 5.814 3.189 1.467) 6.792 17.492 ( -2.824 1.206 -3.381) 4.567 17.556 ( 1.415 1.884 1.297) 2.690 17.643 ( 1.759 -0.527 1.823) 2.587 18.965 ( -4.357 -13.777 -4.201) 15.048 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 17.226 5.733 0.455) 18.160 1.457 ( 15.509 3.445 11.363) 19.533 2.089 ( -5.512 -3.567 -1.562) 6.749 2.601 ( -8.077 -7.163 -4.085) 11.543 3.006 ( -3.400 12.557 8.828) 15.722 3.749 ( -4.972 -9.710 -1.279) 10.984 5.261 ( -7.029 2.889 -11.981) 14.188 5.508 ( -3.674 -3.137 5.630) 7.419 5.932 ( 2.208 -1.976 -8.526) 9.026 6.478 ( 6.238 -4.658 -1.138) 7.868 6.890 ( 12.308 -6.800 5.608) 15.138 6.992 ( 0.349 1.352 2.179) 2.588 7.199 ( 1.417 1.441 -0.257) 2.037 8.045 ( 0.308 1.225 -0.238) 1.285 8.156 ( -7.181 -16.587 -10.415) 20.861 8.639 ( -0.985 11.990 4.586) 12.874 9.332 ( -2.013 2.861 2.944) 4.572 9.690 ( 5.462 -1.655 -1.859) 6.002 16.658 ( -1.946 0.421 -0.230) 2.004 16.935 ( 0.417 2.174 2.147) 3.084 17.439 ( -1.576 -0.886 -2.717) 3.263 17.612 ( 2.588 -0.347 2.162) 3.390 17.689 ( 2.496 2.426 0.315) 3.495 18.752 ( -1.010 -14.607 -6.887) 16.181 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 12.789 0.158 -1.569) 12.886 1.729 ( 9.124 1.994 -1.749) 9.502 1.915 ( -6.825 -7.189 -4.151) 10.747 2.478 ( 2.321 -4.106 5.036) 6.900 3.099 ( -2.065 7.215 2.818) 8.017 3.570 ( -11.962 -2.422 7.683) 14.422 5.117 ( -5.823 3.125 -9.875) 11.882 5.455 ( -3.800 -1.911 4.619) 6.280 5.903 ( 2.942 -2.622 -7.735) 8.681 6.545 ( 5.705 -1.014 0.313) 5.803 7.000 ( 0.632 -1.683 3.564) 3.991 7.032 ( 10.236 -6.685 -7.916) 14.565 7.285 ( 7.285 -1.190 4.955) 8.890 7.887 ( -0.655 -11.868 -7.959) 14.304 8.089 ( 2.269 0.481 1.332) 2.675 8.720 ( -3.576 8.985 0.187) 9.672 9.343 ( -3.219 4.450 5.561) 7.816 9.712 ( 1.217 -2.501 -2.484) 3.729 16.629 ( -1.699 0.458 -0.438) 1.814 16.927 ( -3.932 0.910 1.513) 4.310 17.395 ( -0.347 -2.473 -1.536) 2.932 17.645 ( 1.498 -1.721 2.027) 3.052 17.771 ( 2.117 5.394 1.338) 5.947 18.606 ( 5.291 -13.986 -9.429) 17.678 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 2.488 -4.896 -4.035) 6.815 1.716 ( -7.063 -4.368 -4.039) 9.235 1.804 ( 6.365 -0.377 -8.865) 10.920 2.658 ( 12.808 -0.253 11.504) 17.218 3.081 ( -1.191 -3.690 -4.101) 5.643 3.425 ( -14.625 4.379 11.136) 18.897 5.023 ( -4.797 3.912 -5.326) 8.166 5.427 ( -2.339 2.144 4.481) 5.491 5.890 ( 3.699 -3.679 -5.116) 7.307 6.639 ( 4.931 1.837 0.833) 5.328 6.988 ( -1.567 -0.050 -1.519) 2.183 7.010 ( 4.043 -11.311 -10.036) 15.653 7.441 ( 10.201 -0.874 2.854) 10.628 7.835 ( 7.968 -6.865 -2.776) 10.877 8.160 ( 6.169 -1.564 2.740) 6.929 8.680 ( -8.007 4.091 -2.254) 9.270 9.384 ( -2.372 6.295 6.392) 9.279 9.655 ( -3.443 -2.745 -2.723) 5.177 16.610 ( -0.869 0.364 -0.456) 1.047 16.862 ( -5.115 0.097 0.624) 5.154 17.372 ( 1.061 -2.466 0.102) 2.686 17.657 ( 0.683 -1.319 1.176) 1.895 17.850 ( -0.600 5.628 2.624) 6.239 18.558 ( 10.624 -11.785 -10.249) 18.889 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -5.050 -5.778 0.280) 7.679 1.605 ( 0.736 1.412 -4.614) 4.881 1.857 ( 6.065 -1.275 -6.065) 8.672 2.900 ( 8.458 -0.280 7.758) 11.480 2.995 ( 1.468 -7.777 -3.614) 8.701 3.287 ( -13.560 3.908 4.395) 14.781 4.977 ( -2.737 3.880 -0.565) 4.782 5.475 ( -0.249 5.843 4.605) 7.443 5.895 ( 3.584 -3.823 -1.291) 5.397 6.723 ( 2.540 1.327 -2.285) 3.665 6.870 ( -0.709 -6.140 -10.133) 11.869 6.958 ( -1.345 -2.320 1.411) 3.031 7.624 ( 12.031 1.137 -1.590) 12.189 7.915 ( 7.581 -3.723 -0.696) 8.475 8.290 ( 10.501 -3.846 1.881) 11.341 8.541 ( -8.623 -0.682 -0.619) 8.672 9.445 ( -2.019 6.467 5.326) 8.618 9.525 ( -7.483 -2.687 -2.517) 8.339 16.604 ( 0.080 0.361 -0.346) 0.506 16.788 ( -4.280 0.215 0.296) 4.296 17.386 ( 2.553 -1.922 1.513) 3.536 17.660 ( 0.095 -0.079 0.130) 0.179 17.875 ( -2.991 3.041 1.874) 4.660 18.604 ( 12.568 -7.462 -7.987) 16.656 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -9.647 0.336 4.343) 10.585 1.704 ( 9.554 1.665 1.202) 9.772 1.899 ( 3.335 -0.955 -2.477) 4.262 2.923 ( -2.101 -2.826 -0.139) 3.525 3.023 ( 6.730 -7.075 -0.192) 9.766 3.119 ( -10.494 3.096 -3.017) 11.350 5.019 ( 2.603 4.402 2.668) 5.768 5.543 ( 0.225 3.465 1.304) 3.709 5.920 ( 2.549 -2.822 3.073) 4.889 6.664 ( 0.158 -4.981 -9.432) 10.667 6.824 ( -4.361 4.977 1.029) 6.697 6.944 ( 1.132 -1.093 2.030) 2.568 7.822 ( 12.807 1.555 -3.783) 13.444 7.976 ( 3.725 -2.135 -0.191) 4.298 8.277 ( -10.697 3.371 -5.596) 12.534 8.549 ( 14.409 -11.891 5.500) 19.474 9.347 ( -10.180 -0.521 -2.257) 10.440 9.501 ( -1.012 4.391 4.844) 6.616 16.613 ( 0.479 0.499 -0.154) 0.708 16.741 ( -2.357 0.898 0.795) 2.645 17.425 ( 3.048 -1.917 1.591) 3.937 17.662 ( -0.264 1.186 -0.784) 1.446 17.838 ( -3.989 0.105 0.654) 4.044 18.717 ( 11.478 -2.759 -4.364) 12.585 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -10.513 8.896 11.481) 17.930 1.851 ( 1.801 -6.413 5.296) 8.510 1.958 ( 7.698 3.790 2.127) 8.840 2.809 ( -9.477 1.714 -6.143) 11.424 2.885 ( -8.367 -3.677 -7.083) 11.563 3.181 ( 14.752 -3.463 -0.050) 15.153 5.154 ( 6.395 4.252 2.562) 8.096 5.538 ( -0.273 -2.968 -4.299) 5.231 5.952 ( 1.801 -1.979 3.956) 4.776 6.608 ( 0.091 -0.236 -3.580) 3.589 6.796 ( -4.896 4.065 4.385) 7.728 6.982 ( -0.232 2.874 3.371) 4.435 7.956 ( -1.510 -2.259 4.954) 5.650 8.037 ( 11.614 1.222 -7.396) 13.823 8.105 ( -8.814 4.913 -7.145) 12.364 8.649 ( 6.814 -12.292 0.840) 14.079 9.205 ( -4.253 -0.664 -1.316) 4.501 9.564 ( 0.915 3.966 5.730) 7.028 16.619 ( -0.227 0.379 -0.022) 0.442 16.745 ( 0.182 1.718 1.950) 2.605 17.456 ( 2.457 -2.241 -0.195) 3.332 17.659 ( -0.895 0.800 -1.131) 1.650 17.772 ( -4.018 -0.439 0.849) 4.130 18.857 ( 9.119 0.569 -1.551) 9.267 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -9.382 17.046 17.697) 26.301 1.739 ( -11.135 -9.491 11.721) 18.747 2.103 ( 0.819 1.555 -0.785) 1.925 2.613 ( -8.134 4.735 -12.224) 15.427 2.742 ( 0.458 -4.679 -4.218) 6.316 3.441 ( 20.920 -3.551 -0.684) 21.230 5.296 ( 6.032 2.444 -0.585) 6.534 5.442 ( -0.553 -7.281 -7.803) 10.687 5.998 ( 2.441 0.321 3.474) 4.258 6.571 ( -2.554 -0.839 -2.434) 3.627 6.835 ( -0.800 4.971 9.215) 10.501 7.020 ( -3.136 5.218 7.041) 9.308 7.867 ( -9.910 0.804 6.770) 12.029 8.020 ( -3.559 3.839 -7.224) 8.922 8.187 ( 9.130 0.423 -8.626) 12.567 8.557 ( -3.697 -6.270 -1.108) 7.363 9.178 ( 3.083 -3.392 -2.877) 5.412 9.681 ( 5.367 2.388 6.935) 9.088 16.618 ( -0.183 0.404 0.269) 0.518 16.783 ( 0.685 0.899 2.278) 2.543 17.463 ( 1.818 -1.699 -1.737) 3.035 17.629 ( -2.333 -0.529 0.054) 2.393 17.720 ( -3.212 0.406 0.452) 3.269 18.992 ( 6.596 2.336 0.155) 6.999 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -13.736 -0.746 17.704) 22.420 1.514 ( -15.001 10.631 18.344) 25.972 1.926 ( -19.540 5.030 -9.673) 22.376 2.557 ( 6.457 -6.252 -6.762) 11.247 2.786 ( 7.497 2.896 -2.434) 8.397 3.736 ( 22.267 -6.540 -3.226) 23.431 5.322 ( 2.325 -6.448 -9.835) 11.988 5.385 ( 2.695 0.484 -0.567) 2.797 6.063 ( 1.438 1.670 2.670) 3.462 6.504 ( -2.095 -1.266 -2.174) 3.274 6.902 ( -0.541 1.445 3.367) 3.703 7.079 ( -3.527 5.083 15.403) 16.600 7.765 ( -9.723 -2.261 10.984) 14.842 7.940 ( -7.509 11.692 -12.421) 18.638 8.175 ( -4.551 0.163 -3.136) 5.529 8.544 ( 7.419 -2.141 -0.181) 7.724 9.182 ( 3.565 -2.085 -4.936) 6.436 9.828 ( 7.366 -2.047 4.295) 8.769 16.627 ( 0.510 0.577 0.356) 0.848 16.783 ( -1.378 -2.574 0.660) 2.994 17.480 ( 1.858 0.816 0.136) 2.034 17.585 ( -3.190 0.277 0.575) 3.254 17.673 ( -2.673 -0.430 -0.682) 2.792 19.109 ( 4.713 2.584 1.241) 5.517 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -22.751 -7.283 17.702) 29.733 1.562 ( -19.545 3.192 -5.526) 20.560 2.018 ( 5.204 2.140 -1.440) 5.808 2.704 ( 1.672 12.882 13.536) 18.760 2.944 ( 4.675 0.334 -0.656) 4.733 3.623 ( 13.654 -13.440 -9.619) 21.438 5.166 ( 9.840 -0.441 -9.957) 14.006 5.430 ( 4.071 -1.750 2.980) 5.340 6.047 ( -3.479 -3.646 0.129) 5.041 6.500 ( -1.417 4.397 -0.792) 4.687 6.892 ( -2.549 -0.588 -0.174) 2.621 7.194 ( -9.116 -7.929 15.553) 19.694 7.532 ( -11.782 5.532 -9.715) 16.242 8.057 ( -1.256 0.308 -0.425) 1.361 8.496 ( -6.898 16.231 10.975) 20.772 8.619 ( 11.452 -5.128 2.994) 12.900 9.170 ( 6.597 1.959 -11.318) 13.246 9.578 ( -1.251 -13.828 -3.853) 14.409 16.624 ( -0.835 -0.368 -0.175) 0.929 16.684 ( 0.045 -0.514 1.582) 1.663 17.538 ( -1.707 1.070 -3.575) 4.104 17.596 ( 0.208 -1.973 2.096) 2.886 17.652 ( -0.932 3.976 2.342) 4.707 19.171 ( 0.719 -4.627 -1.566) 4.938 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -15.539 0.220 14.762) 21.434 1.291 ( -14.899 1.949 2.479) 15.229 2.111 ( 5.279 0.519 -0.906) 5.381 2.925 ( 0.323 12.625 12.532) 17.792 2.962 ( -0.329 -2.092 -1.710) 2.721 3.639 ( 12.032 -14.131 -9.653) 20.920 5.257 ( 8.110 3.157 -14.937) 17.287 5.524 ( 7.644 -4.306 6.447) 10.888 5.950 ( -4.108 -4.919 1.148) 6.511 6.483 ( -4.953 3.461 -1.737) 6.287 6.830 ( -4.170 -2.076 1.299) 4.836 7.063 ( -7.199 -6.557 12.269) 15.664 7.374 ( -8.050 6.355 -9.484) 13.969 8.041 ( -0.846 0.767 -0.695) 1.337 8.572 ( -0.051 -0.671 6.355) 6.391 8.688 ( -0.741 -4.612 0.324) 4.682 9.213 ( 6.204 1.181 -12.367) 13.886 9.457 ( -0.750 -2.608 2.781) 3.886 16.651 ( 2.884 2.332 2.340) 4.386 16.698 ( 0.819 0.197 0.337) 0.907 17.512 ( -0.398 2.050 -4.579) 5.033 17.594 ( 0.736 -2.454 2.135) 3.335 17.659 ( -3.798 2.396 2.287) 5.039 19.077 ( -1.915 -10.444 -4.205) 11.420 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 1.036 8.896 5.879) 10.713 1.197 ( -2.644 0.359 12.182) 12.471 2.160 ( 2.134 -2.880 -1.148) 3.764 2.849 ( -5.905 -5.789 -3.961) 9.168 3.087 ( -1.194 9.446 6.622) 11.597 3.666 ( 8.888 -7.431 -2.186) 11.790 5.306 ( 4.793 3.991 -15.286) 16.509 5.630 ( 5.410 -4.183 1.599) 7.023 5.840 ( -3.564 -6.328 2.542) 7.695 6.386 ( -5.783 -1.771 -1.751) 6.297 6.773 ( -1.728 -1.416 4.519) 5.041 7.009 ( -2.124 -2.136 6.857) 7.490 7.273 ( -5.134 3.720 -5.846) 8.623 8.038 ( -0.088 1.115 -0.852) 1.406 8.372 ( -3.598 -24.968 -12.451) 28.132 8.706 ( -4.011 11.560 7.047) 14.120 9.290 ( 4.588 4.215 -2.126) 6.583 9.511 ( 3.968 1.444 2.690) 5.007 16.702 ( -0.453 0.174 1.119) 1.220 16.784 ( 6.764 4.472 1.706) 8.286 17.503 ( -0.071 2.081 -5.548) 5.925 17.593 ( -0.661 -2.285 2.384) 3.368 17.621 ( -1.956 0.336 1.848) 2.712 18.876 ( -4.509 -14.630 -6.240) 16.532 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 10.772 8.170 0.214) 13.521 1.344 ( 9.571 0.762 13.713) 16.740 2.101 ( -3.126 -6.031 -1.665) 6.994 2.641 ( -8.433 -6.962 -5.217) 12.117 3.139 ( 0.084 1.356 -1.687) 2.166 3.759 ( 1.363 3.875 9.299) 10.166 5.291 ( -1.239 3.486 -14.489) 14.954 5.584 ( -5.372 -3.059 2.620) 6.714 5.797 ( 4.291 -5.298 -5.594) 8.819 6.306 ( 2.599 -7.300 0.850) 7.795 6.801 ( 2.159 -1.065 6.043) 6.505 7.015 ( -0.086 -0.059 3.962) 3.963 7.214 ( -2.138 1.940 -2.981) 4.150 8.012 ( -5.014 -19.347 -12.766) 23.715 8.048 ( 0.557 1.049 -0.668) 1.363 8.791 ( -1.796 9.106 3.785) 10.024 9.379 ( 1.648 3.976 1.648) 4.609 9.601 ( 4.226 0.479 1.153) 4.406 16.692 ( -1.539 0.509 0.080) 1.623 16.939 ( 4.478 4.508 2.875) 6.975 17.459 ( -3.097 0.380 -4.487) 5.466 17.584 ( 1.002 -0.758 1.516) 1.969 17.644 ( 3.473 -0.874 0.922) 3.698 18.616 ( -4.488 -16.031 -7.706) 18.344 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 12.178 1.885 -1.638) 12.431 1.587 ( 10.279 0.698 3.747) 10.963 1.956 ( -6.775 -5.025 -0.890) 8.482 2.455 ( -2.910 -5.085 -0.129) 5.860 3.104 ( 0.517 -4.748 -6.183) 7.813 3.841 ( -8.445 8.558 14.495) 18.833 5.177 ( -5.301 2.937 -11.074) 12.623 5.524 ( -2.765 -1.018 4.841) 5.667 5.770 ( 3.646 -2.573 -11.703) 12.525 6.347 ( 10.280 -9.367 2.376) 14.109 6.862 ( 3.067 -2.102 3.244) 4.935 7.033 ( -0.577 0.616 1.624) 1.830 7.220 ( 2.795 1.015 -0.450) 3.007 7.742 ( -1.749 -12.840 -8.907) 15.725 8.067 ( 1.353 0.383 -0.106) 1.410 8.842 ( -2.541 6.503 -0.248) 6.986 9.436 ( -0.310 3.156 3.943) 5.060 9.656 ( 2.193 -0.304 -0.515) 2.273 16.667 ( -2.177 0.760 -0.197) 2.314 17.009 ( -2.395 2.848 3.043) 4.807 17.390 ( -2.282 -0.521 -2.761) 3.620 17.608 ( 2.046 -2.345 1.894) 3.643 17.740 ( 7.243 2.815 0.264) 7.775 18.376 ( -0.836 -15.297 -9.144) 17.841 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 8.051 -3.078 -2.815) 9.067 1.659 ( 3.406 -2.167 -8.859) 9.735 1.809 ( -7.984 -0.008 0.419) 7.995 2.525 ( 10.399 -0.813 9.403) 14.043 3.006 ( -0.546 -7.538 -7.142) 10.399 3.783 ( -15.820 5.240 10.993) 19.964 5.093 ( -3.385 3.441 -5.211) 7.103 5.520 ( -2.544 3.290 4.890) 6.419 5.755 ( 5.117 -1.749 -9.323) 10.778 6.465 ( 12.377 -8.052 1.664) 14.859 6.875 ( 0.458 -1.799 -2.827) 3.382 7.022 ( -1.926 0.199 0.605) 2.029 7.309 ( 7.196 0.848 -0.970) 7.311 7.638 ( 5.066 -8.260 -1.792) 9.854 8.098 ( 2.501 -0.543 0.690) 2.650 8.815 ( -5.863 3.905 -2.815) 7.586 9.477 ( -0.438 1.670 4.628) 4.939 9.657 ( -0.986 -0.312 -1.689) 1.980 16.638 ( -2.060 0.746 -0.032) 2.192 16.964 ( -6.276 1.206 1.556) 6.578 17.352 ( -0.499 -0.459 -0.641) 0.933 17.626 ( 1.835 -2.627 1.849) 3.699 17.902 ( 4.524 6.588 2.974) 8.528 18.224 ( 6.994 -13.798 -10.875) 18.910 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 2.676 -1.587 -2.130) 3.771 1.633 ( 0.407 -3.360 -5.564) 6.512 1.745 ( -0.464 5.264 -1.053) 5.389 2.762 ( 11.043 -2.798 6.811) 13.273 2.893 ( 0.666 -5.921 -4.803) 7.653 3.587 ( -17.329 1.345 5.126) 18.122 5.050 ( -3.051 2.202 -0.759) 3.838 5.545 ( -0.883 3.372 -0.122) 3.488 5.806 ( 4.970 0.728 0.028) 5.023 6.579 ( 8.269 -5.355 -1.597) 9.980 6.847 ( 0.227 1.963 -2.381) 3.094 6.987 ( -2.924 0.172 0.338) 2.948 7.442 ( 10.027 1.825 -5.114) 11.403 7.712 ( 10.629 -6.815 4.076) 13.267 8.149 ( 4.740 -2.114 1.699) 5.461 8.700 ( -9.695 2.192 -2.999) 10.382 9.499 ( -0.147 -1.688 2.953) 3.404 9.606 ( -4.212 1.375 -1.630) 4.721 16.618 ( -1.239 0.661 0.254) 1.427 16.875 ( -5.970 0.759 -0.061) 6.018 17.357 ( 0.985 -0.045 1.138) 1.506 17.641 ( 1.526 -1.861 1.230) 2.703 17.954 ( -3.299 0.757 0.263) 3.395 18.282 ( 15.439 -3.735 -5.340) 16.758 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -0.964 2.903 2.122) 3.723 1.599 ( 3.921 -0.978 0.353) 4.057 1.838 ( 3.790 6.795 -1.651) 7.954 2.778 ( 5.230 -8.849 -5.146) 11.495 2.954 ( 3.142 -1.597 4.275) 5.541 3.340 ( -15.781 0.190 0.147) 15.782 5.046 ( -0.004 2.151 2.235) 3.102 5.534 ( 0.169 -1.456 -5.217) 5.419 5.891 ( 2.484 0.086 3.930) 4.650 6.609 ( 0.936 1.387 -1.887) 2.522 6.913 ( 2.792 -1.266 1.444) 3.389 6.954 ( -2.797 7.849 2.358) 8.660 7.601 ( 12.219 2.537 -8.743) 15.238 7.852 ( 9.423 -5.386 5.118) 12.000 8.237 ( 8.709 -4.460 2.596) 10.123 8.526 ( -11.831 1.096 -1.470) 11.973 9.440 ( -4.935 -3.345 -1.390) 6.122 9.570 ( -1.735 2.016 1.208) 2.921 16.617 ( -0.095 0.932 0.379) 1.010 16.799 ( -3.885 0.741 -0.798) 4.035 17.386 ( 1.616 -0.281 1.246) 2.060 17.654 ( 1.116 -1.058 0.485) 1.613 17.885 ( -2.869 -2.008 -1.693) 3.889 18.501 ( 13.049 2.667 0.387) 13.325 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -2.876 6.404 6.315) 9.443 1.739 ( 9.027 -0.660 4.429) 10.077 1.938 ( 2.104 6.839 -0.609) 7.181 2.802 ( 7.877 -4.550 -5.871) 10.827 2.913 ( -6.222 -6.214 4.142) 9.720 3.121 ( -9.488 1.973 -4.130) 10.534 5.115 ( 4.071 1.767 2.609) 5.148 5.459 ( -0.562 -5.814 -7.932) 9.851 5.929 ( 1.670 -0.933 2.131) 2.864 6.638 ( -1.323 3.773 1.733) 4.358 6.887 ( -1.455 -0.501 1.365) 2.057 7.085 ( -0.543 12.044 8.384) 14.685 7.774 ( 13.553 3.014 -11.638) 18.116 7.947 ( 3.957 -3.597 4.937) 7.278 8.318 ( -9.573 6.545 -2.475) 11.857 8.387 ( 8.433 -11.716 5.116) 15.315 9.301 ( -7.622 -1.189 -2.485) 8.105 9.584 ( 1.324 -0.211 1.772) 2.222 16.630 ( -0.040 1.362 0.081) 1.365 16.763 ( -0.746 0.448 -0.340) 0.934 17.408 ( 1.396 -0.795 -0.353) 1.645 17.659 ( 0.358 -1.200 0.372) 1.306 17.820 ( -2.645 -0.995 -0.937) 2.977 18.731 ( 9.891 4.820 2.931) 11.387 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -0.960 7.774 10.196) 12.857 1.828 ( 0.184 -1.412 3.527) 3.803 2.060 ( 4.933 3.776 3.046) 6.919 2.705 ( -8.434 -6.435 -2.056) 10.806 2.782 ( -8.234 3.776 -6.777) 11.313 3.138 ( 11.975 -1.271 0.367) 12.048 5.198 ( 5.081 -2.873 -3.433) 6.772 5.342 ( -0.585 -5.242 -5.823) 7.856 5.982 ( 2.943 1.835 2.663) 4.373 6.616 ( -3.939 -0.340 -0.300) 3.965 6.902 ( 0.358 1.615 3.152) 3.560 7.224 ( -4.269 11.832 13.522) 18.468 7.941 ( 9.583 1.928 -12.044) 15.512 7.981 ( 2.854 -1.284 4.892) 5.808 8.180 ( -10.724 6.392 0.048) 12.484 8.463 ( 6.176 -7.663 1.770) 10.000 9.173 ( -5.099 -0.065 -2.797) 5.816 9.630 ( 4.507 -2.532 2.091) 5.577 16.634 ( -0.752 1.293 -0.349) 1.536 16.774 ( 1.407 -0.630 0.303) 1.571 17.419 ( 1.464 0.006 -0.949) 1.745 17.649 ( -0.639 -0.988 0.998) 1.543 17.765 ( -2.843 -0.755 -1.100) 3.141 18.930 ( 6.836 5.112 3.650) 9.284 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -7.680 -4.091 13.159) 15.775 1.836 ( -1.889 6.960 3.708) 8.110 2.098 ( -5.105 0.078 -1.568) 5.341 2.518 ( -8.541 1.601 -1.197) 8.772 2.721 ( 1.704 4.007 -2.625) 5.085 3.358 ( 16.524 -3.915 -1.097) 17.017 5.144 ( 3.356 -8.535 -10.604) 14.020 5.338 ( 2.747 -0.080 -0.233) 2.758 6.071 ( 2.338 3.175 2.892) 4.890 6.532 ( -3.765 -1.422 -1.376) 4.253 6.933 ( -0.189 0.979 1.712) 1.981 7.303 ( -6.807 5.954 15.183) 17.673 7.899 ( -5.697 -3.809 2.460) 7.282 8.097 ( -0.397 -0.461 0.130) 0.622 8.156 ( 3.724 15.538 -6.999) 17.444 8.468 ( -0.012 -1.911 2.193) 2.909 9.113 ( -0.030 0.085 -4.080) 4.081 9.691 ( 6.650 -6.762 0.992) 9.536 16.634 ( -0.290 0.997 -0.393) 1.110 16.772 ( -0.277 -2.889 -0.029) 2.902 17.461 ( 2.542 2.298 1.177) 3.623 17.634 ( -1.653 0.329 1.024) 1.972 17.697 ( -2.874 -1.906 -2.166) 4.073 19.079 ( 4.250 3.762 2.907) 6.376 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -17.664 -7.001 12.863) 22.945 1.826 ( -15.461 0.955 -5.952) 16.594 1.864 ( 7.984 -2.530 -2.882) 8.858 2.860 ( 5.921 6.375 -1.360) 8.806 2.921 ( 0.610 8.698 12.762) 15.457 3.289 ( 7.591 -9.910 -7.833) 14.737 4.963 ( 8.005 -0.830 -4.936) 9.441 5.366 ( 3.314 -1.052 0.321) 3.492 6.065 ( -3.712 -4.180 -0.998) 5.678 6.556 ( 0.567 5.559 0.498) 5.610 6.922 ( -2.135 -0.822 -0.361) 2.316 7.379 ( -11.097 -6.177 15.357) 19.928 7.711 ( -10.641 5.108 -9.866) 15.384 8.061 ( 0.058 -1.008 -0.984) 1.409 8.358 ( 9.349 -8.361 -1.665) 12.652 8.849 ( -6.422 17.769 9.303) 21.060 8.998 ( 5.485 -3.182 -13.429) 14.851 9.449 ( 2.829 -9.180 1.456) 9.716 16.638 ( -0.394 0.571 0.945) 1.173 16.691 ( -1.066 -1.125 0.909) 1.797 17.529 ( -0.810 -3.368 -2.617) 4.341 17.601 ( -0.522 0.894 0.805) 1.312 17.703 ( 0.827 3.971 1.788) 4.433 19.118 ( -1.151 -4.699 -2.934) 5.658 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -17.901 -2.921 13.627) 22.687 1.548 ( -15.593 0.395 -2.655) 15.822 1.973 ( 8.079 -1.704 0.021) 8.257 2.931 ( 0.998 -0.615 -1.618) 1.998 3.079 ( 1.450 3.871 2.623) 4.896 3.317 ( 10.865 -3.329 -1.125) 11.419 5.063 ( 8.102 1.940 -9.146) 12.371 5.424 ( 4.827 -2.910 3.674) 6.728 5.964 ( -3.029 -4.671 -0.114) 5.568 6.596 ( -3.266 6.296 -0.759) 7.133 6.870 ( -2.676 -1.751 0.009) 3.198 7.221 ( -11.116 -8.504 15.702) 21.034 7.522 ( -10.721 6.182 -12.061) 17.281 8.045 ( 0.098 -1.317 -1.353) 1.890 8.337 ( 4.434 -16.157 -7.293) 18.272 8.857 ( -3.268 1.012 0.043) 3.421 9.094 ( 5.325 10.560 -2.496) 12.088 9.446 ( 1.607 -2.109 4.039) 4.832 16.657 ( 0.679 2.515 1.387) 2.951 16.690 ( 0.799 -0.661 1.928) 2.189 17.488 ( 0.659 -2.322 -2.247) 3.297 17.592 ( -1.067 0.751 -0.895) 1.583 17.740 ( -1.812 2.240 2.198) 3.624 18.991 ( -3.098 -9.995 -5.925) 12.025 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -10.685 4.561 10.540) 15.687 1.346 ( -9.244 -0.383 4.623) 10.343 2.064 ( 4.895 -3.170 1.370) 5.990 2.862 ( -4.162 -4.632 -4.396) 7.622 3.069 ( 3.942 -7.177 -7.945) 11.409 3.555 ( 9.534 9.162 9.716) 16.409 5.142 ( 7.125 3.505 -14.149) 16.225 5.500 ( 5.612 -5.206 5.607) 9.489 5.879 ( -3.664 -4.167 1.596) 5.774 6.526 ( -10.527 3.003 -2.895) 11.323 6.812 ( -2.358 -2.105 2.515) 4.039 7.084 ( -6.090 -5.490 10.390) 13.235 7.364 ( -7.142 3.431 -8.507) 11.625 8.015 ( 1.329 -7.049 -4.276) 8.351 8.143 ( -2.238 -12.913 -10.095) 16.542 8.846 ( -0.605 1.749 2.536) 3.140 9.259 ( 4.318 9.296 -0.450) 10.260 9.501 ( 2.148 1.310 4.617) 5.258 16.695 ( 1.508 -0.004 -0.936) 1.775 16.758 ( 3.891 4.450 4.700) 7.552 17.474 ( 1.191 -1.324 -2.900) 3.403 17.577 ( -0.481 -0.075 -0.675) 0.832 17.710 ( -4.705 0.764 1.755) 5.080 18.774 ( -4.815 -14.208 -7.808) 16.912 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -1.135 8.079 3.896) 9.040 1.327 ( 1.890 -0.505 10.850) 11.025 2.073 ( -0.059 -4.843 1.715) 5.138 2.681 ( -7.876 -5.950 -6.267) 11.692 3.018 ( 4.676 -7.988 -8.706) 12.707 3.853 ( 6.878 11.902 12.312) 18.454 5.192 ( 5.344 3.719 -15.343) 16.667 5.554 ( 3.689 -5.438 2.402) 6.996 5.772 ( -6.157 -4.755 3.149) 8.393 6.322 ( -10.035 -2.507 -3.429) 10.897 6.807 ( 0.519 -0.811 4.899) 4.993 7.044 ( -1.294 -1.811 5.533) 5.964 7.258 ( -4.080 0.947 -4.571) 6.200 7.823 ( -1.723 -16.000 -12.265) 20.234 8.055 ( -0.907 0.991 -1.274) 1.851 8.881 ( 0.113 2.565 2.381) 3.501 9.386 ( 2.903 5.884 -0.235) 6.566 9.579 ( 2.267 1.966 3.994) 4.996 16.705 ( 0.310 -0.179 -0.341) 0.494 16.921 ( 6.223 6.532 3.988) 9.864 17.459 ( 0.265 -0.553 -4.161) 4.206 17.569 ( 0.456 -1.564 0.680) 1.765 17.644 ( -4.206 0.101 1.341) 4.416 18.503 ( -5.396 -15.693 -8.382) 18.592 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 4.811 3.008 -0.473) 5.694 1.477 ( 7.662 0.478 7.049) 10.423 2.013 ( -3.765 -2.732 2.584) 5.321 2.471 ( -6.226 -4.938 -4.097) 8.941 2.968 ( 3.350 -7.077 -7.669) 10.960 4.094 ( -0.396 10.395 12.688) 16.407 5.184 ( -0.235 2.491 -12.586) 12.832 5.541 ( 0.882 -2.350 -1.564) 2.957 5.673 ( -2.224 -3.742 0.689) 4.407 6.192 ( 0.322 -5.862 0.564) 5.898 6.847 ( 1.203 -0.408 4.093) 4.285 7.052 ( -0.047 -0.085 2.728) 2.730 7.202 ( -0.681 0.086 -2.645) 2.733 7.612 ( -1.587 -9.738 -8.290) 12.887 8.055 ( 0.353 0.500 -0.524) 0.805 8.911 ( -0.650 2.585 0.259) 2.678 9.459 ( 1.563 2.318 0.658) 2.872 9.644 ( 1.206 1.845 2.202) 3.115 16.698 ( -0.946 0.265 -0.202) 1.003 17.080 ( 1.842 5.900 4.107) 7.421 17.418 ( -2.520 0.537 -3.422) 4.283 17.570 ( 1.026 -2.264 1.585) 2.948 17.635 ( 4.307 -0.608 -0.338) 4.363 18.242 ( -4.132 -13.227 -7.502) 15.758 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 7.999 -1.582 -2.154) 8.433 1.560 ( 1.510 -2.024 -5.135) 5.722 1.949 ( -5.872 2.238 2.716) 6.846 2.430 ( 5.477 -0.931 5.026) 7.492 2.898 ( 0.465 -6.221 -6.267) 8.842 4.119 ( -12.679 3.607 8.530) 15.701 5.128 ( -1.578 1.585 -4.769) 5.268 5.591 ( 7.431 1.531 -5.693) 9.485 5.614 ( -2.898 1.178 -0.076) 3.129 6.225 ( 8.937 -7.247 4.631) 12.403 6.866 ( -0.350 0.244 -0.446) 0.618 7.055 ( -1.192 0.620 0.525) 1.443 7.215 ( 3.839 0.332 -2.689) 4.699 7.516 ( 1.661 -5.179 -0.480) 5.460 8.067 ( 1.232 -0.248 0.045) 1.257 8.901 ( -2.979 2.333 -1.852) 4.213 9.489 ( 0.700 -0.927 1.504) 1.901 9.671 ( -0.478 1.210 0.052) 1.302 16.679 ( -1.853 0.637 0.117) 1.963 17.097 ( -6.381 1.954 2.593) 7.160 17.370 ( -1.989 1.124 -1.238) 2.599 17.580 ( 1.828 -2.634 1.747) 3.652 17.778 ( 13.659 0.055 -2.196) 13.835 18.061 ( -2.836 -5.992 -3.916) 7.699 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 8.114 -1.721 -1.453) 8.421 1.490 ( 1.430 -3.280 -10.294) 10.898 1.907 ( -6.059 7.188 2.660) 9.770 2.609 ( 9.382 -1.403 5.636) 11.035 2.817 ( 0.215 -3.202 -2.445) 4.034 3.903 ( -18.043 -1.234 3.658) 18.451 5.097 ( -1.891 -0.523 0.423) 2.007 5.549 ( -0.968 -0.149 -7.485) 7.549 5.757 ( 6.183 5.587 2.616) 8.734 6.383 ( 12.512 -2.771 5.774) 14.056 6.847 ( -0.573 1.188 -3.405) 3.651 7.041 ( -1.813 2.305 -0.375) 2.957 7.288 ( 6.876 1.365 -4.922) 8.566 7.559 ( 5.820 -3.572 6.797) 9.635 8.091 ( 2.194 -1.061 0.770) 2.556 8.835 ( -6.395 2.311 -2.598) 7.279 9.483 ( 0.089 -3.499 1.363) 3.756 9.652 ( -1.936 0.216 -1.687) 2.577 16.655 ( -2.063 0.703 0.646) 2.273 16.986 ( -7.638 -0.589 -0.609) 7.684 17.365 ( -0.364 1.575 0.544) 1.705 17.598 ( 2.096 -2.616 1.888) 3.847 17.896 ( 6.031 -8.674 -7.728) 13.089 18.103 ( 7.389 10.174 5.710) 13.810 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 5.102 2.795 -2.842) 6.475 1.475 ( 7.999 -4.900 -4.958) 10.610 1.934 ( -2.628 10.148 1.625) 10.608 2.640 ( 0.633 -4.597 -0.619) 4.682 2.896 ( 5.875 0.568 4.124) 7.200 3.608 ( -17.729 -2.375 0.787) 17.905 5.070 ( -0.816 -1.754 2.756) 3.367 5.485 ( -1.233 -1.029 -7.567) 7.736 5.872 ( 2.694 0.955 1.635) 3.293 6.596 ( 7.039 3.905 5.649) 9.835 6.855 ( 2.670 -0.569 -1.403) 3.069 7.070 ( 0.518 9.540 0.827) 9.590 7.398 ( 9.039 2.224 -7.099) 11.707 7.690 ( 8.383 -3.891 9.585) 13.315 8.129 ( 3.586 -2.154 1.816) 4.561 8.715 ( -9.780 2.850 -1.685) 10.326 9.442 ( -1.076 -4.680 0.082) 4.803 9.601 ( -2.114 -1.074 -2.552) 3.483 16.639 ( -1.231 0.772 0.995) 1.761 16.863 ( -5.207 -1.094 -2.816) 6.020 17.382 ( 0.151 1.323 0.625) 1.471 17.618 ( 1.945 -2.502 1.871) 3.680 17.855 ( 1.375 -3.803 -3.971) 5.668 18.388 ( 10.480 10.174 6.218) 15.875 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 6.197 1.032 -4.976) 8.014 1.628 ( 9.351 2.243 4.487) 10.611 1.982 ( -0.450 5.002 -3.823) 6.311 2.666 ( 3.915 1.767 4.678) 6.351 2.950 ( -1.032 -2.811 2.691) 4.026 3.320 ( -15.326 -1.248 -2.210) 15.535 5.074 ( 1.958 -3.261 1.969) 4.284 5.398 ( -2.526 -2.140 -6.964) 7.711 5.909 ( 1.579 0.544 0.751) 1.831 6.700 ( -0.358 1.595 3.592) 3.946 6.873 ( 1.731 -1.061 -0.542) 2.102 7.269 ( 3.329 17.727 7.271) 19.447 7.531 ( 10.921 2.791 -10.046) 15.099 7.844 ( 8.096 -4.107 9.275) 12.978 8.190 ( 5.906 -4.240 3.386) 8.020 8.570 ( -11.749 4.684 0.473) 12.657 9.361 ( -3.681 -3.486 -1.893) 5.411 9.548 ( 0.178 -3.402 -2.531) 4.244 16.645 ( 0.026 1.282 0.737) 1.479 16.774 ( -2.257 -1.331 -3.205) 4.140 17.396 ( 0.067 1.091 -0.278) 1.128 17.634 ( 1.421 -2.354 2.000) 3.400 17.825 ( -0.381 -1.210 -1.963) 2.337 18.672 ( 8.931 9.344 6.667) 14.544 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 6.286 3.161 0.347) 7.044 1.786 ( 3.820 0.820 0.348) 3.923 2.011 ( 6.133 1.053 -2.829) 6.835 2.792 ( -2.330 0.176 9.357) 9.645 2.874 ( -3.206 1.266 0.835) 3.546 3.100 ( -7.527 0.839 -4.154) 8.638 5.058 ( 2.141 -7.382 -5.128) 9.240 5.314 ( -1.808 -0.508 -2.248) 2.929 5.971 ( 3.108 3.228 2.188) 4.987 6.666 ( -3.669 -2.742 0.306) 4.590 6.907 ( 1.781 1.313 1.025) 2.439 7.493 ( -3.287 14.109 13.711) 19.946 7.687 ( 13.515 4.908 -15.336) 21.023 7.961 ( 4.046 -2.541 7.599) 8.976 8.253 ( 4.360 -8.085 3.992) 10.015 8.476 ( -7.833 10.105 4.052) 13.412 9.247 ( -5.608 -1.106 -3.647) 6.781 9.518 ( 3.506 -6.543 -2.299) 7.771 16.657 ( -0.724 1.637 -0.800) 1.960 16.736 ( 1.227 -1.849 -1.362) 2.604 17.410 ( 0.489 2.090 0.014) 2.147 17.644 ( 0.773 -1.544 1.667) 2.400 17.785 ( -2.050 -1.527 -1.705) 3.073 18.910 ( 6.400 7.466 5.912) 11.474 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 1.202 -0.790 5.363) 5.553 1.796 ( 2.843 -1.150 -6.335) 7.038 2.125 ( 3.625 0.621 0.671) 3.739 2.686 ( -6.612 -2.194 6.925) 9.823 2.825 ( -9.245 7.669 -2.706) 12.312 3.147 ( 8.445 1.029 1.896) 8.716 4.964 ( 1.725 -8.057 -8.677) 11.966 5.307 ( 0.895 0.092 0.191) 0.920 6.078 ( 3.220 4.136 2.863) 5.973 6.569 ( -3.960 -3.007 -1.162) 5.107 6.946 ( 0.690 0.953 0.917) 1.492 7.564 ( -8.195 5.449 13.147) 16.422 7.848 ( 9.475 3.605 -12.777) 16.310 8.023 ( 1.789 -0.089 4.361) 4.715 8.223 ( -0.300 -4.641 2.902) 5.482 8.559 ( -1.738 13.313 7.003) 15.143 9.134 ( -4.586 0.309 -5.321) 7.031 9.507 ( 5.852 -10.096 -1.986) 11.837 16.646 ( -0.766 0.712 -1.454) 1.791 16.742 ( 1.092 -1.847 0.109) 2.149 17.461 ( 1.935 3.821 1.883) 4.679 17.648 ( 0.188 -0.555 0.107) 0.595 17.711 ( -3.162 -2.820 -1.778) 4.595 19.074 ( 3.616 4.448 3.751) 6.851 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -9.423 -4.619 4.554) 11.440 1.753 ( 3.463 0.511 2.320) 4.200 2.015 ( -11.122 -0.404 -2.985) 11.522 2.787 ( 6.951 4.934 -3.524) 9.224 2.981 ( 5.924 0.698 5.082) 7.836 3.124 ( -0.862 -5.978 -5.070) 7.885 4.878 ( 2.891 3.771 2.682) 5.456 5.317 ( 1.603 -0.542 -0.357) 1.730 6.076 ( -3.728 -4.421 -2.175) 6.178 6.582 ( 2.802 4.780 1.031) 5.635 6.940 ( -1.570 -1.008 -0.527) 1.939 7.603 ( -11.829 -4.158 13.565) 18.472 7.780 ( 0.357 -1.268 -9.886) 9.974 8.029 ( -0.934 -1.276 -4.069) 4.366 8.203 ( 2.118 0.160 -1.957) 2.888 8.782 ( 3.797 -10.922 -12.210) 16.816 9.112 ( -1.525 9.846 7.801) 12.655 9.371 ( 1.072 1.012 2.955) 3.302 16.650 ( 0.668 0.295 2.068) 2.193 16.710 ( -1.841 -0.112 -0.244) 1.861 17.490 ( -1.051 -4.557 -2.262) 5.195 17.627 ( -0.649 1.505 0.613) 1.750 17.719 ( 2.283 3.343 1.269) 4.242 19.087 ( -2.703 -4.708 -3.680) 6.559 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -13.103 -3.817 8.405) 16.028 1.734 ( -9.786 -2.591 -5.370) 11.459 1.900 ( 1.069 2.585 6.321) 6.912 2.885 ( 1.858 -1.554 -5.703) 6.196 2.961 ( 2.264 -6.042 -7.472) 9.872 3.221 ( 10.650 4.536 6.444) 13.249 4.980 ( 2.641 5.318 -0.162) 5.940 5.352 ( 3.553 -1.417 1.865) 4.256 5.966 ( -3.010 -4.167 -1.334) 5.310 6.670 ( 0.980 5.722 -0.406) 5.820 6.891 ( -2.415 -1.939 -0.356) 3.118 7.435 ( -13.234 -7.883 16.926) 22.887 7.647 ( -6.937 -0.499 -13.516) 15.201 7.960 ( 0.372 -6.126 -7.367) 9.589 8.188 ( -1.291 -1.260 -4.509) 4.857 8.724 ( 7.394 -7.808 -7.030) 12.848 9.222 ( -0.871 10.232 4.527) 11.223 9.431 ( 1.847 1.879 4.739) 5.422 16.675 ( -0.283 -1.256 -0.151) 1.296 16.693 ( 0.413 2.341 3.401) 4.150 17.440 ( 0.465 -3.435 -0.893) 3.580 17.619 ( -1.476 1.869 -1.910) 3.053 17.780 ( 0.504 1.941 1.885) 2.753 18.931 ( -5.045 -9.070 -6.578) 12.287 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -11.925 1.324 10.247) 15.779 1.510 ( -10.754 -1.802 -1.774) 11.048 1.997 ( 3.317 -0.978 6.028) 6.949 2.770 ( 1.947 -9.567 -10.744) 14.517 2.947 ( -0.958 -1.167 -3.365) 3.688 3.505 ( 13.551 6.740 5.263) 16.023 5.046 ( 2.129 5.037 -5.619) 7.841 5.420 ( 4.079 -2.409 5.416) 7.196 5.896 ( -1.973 -2.351 0.287) 3.083 6.679 ( -5.501 3.678 -3.888) 7.675 6.836 ( -2.040 -1.949 1.509) 3.199 7.229 ( -11.938 -10.028 12.723) 20.123 7.447 ( -7.063 -0.809 -10.322) 12.533 7.835 ( -0.554 -9.048 -10.813) 14.110 8.122 ( -2.888 0.699 -3.104) 4.297 8.774 ( 7.449 -4.034 -0.901) 8.519 9.323 ( 0.440 8.804 1.229) 8.901 9.512 ( 2.028 2.472 5.160) 6.070 16.665 ( 0.927 -0.456 -1.215) 1.595 16.771 ( 2.899 3.141 5.025) 6.597 17.423 ( 1.093 -2.685 -0.452) 2.934 17.599 ( -1.715 2.298 -2.667) 3.916 17.787 ( -2.502 0.907 1.924) 3.284 18.693 ( -6.655 -12.528 -8.183) 16.377 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -8.996 6.271 6.759) 12.881 1.381 ( -3.381 -1.692 5.611) 6.766 2.035 ( 1.736 -4.953 3.356) 6.230 2.673 ( -0.979 -4.721 -7.524) 8.936 2.865 ( -1.328 -3.922 -5.261) 6.695 3.824 ( 14.502 7.251 4.425) 16.807 5.090 ( 2.843 4.241 -7.396) 8.987 5.486 ( 2.829 -2.997 6.428) 7.636 5.837 ( -4.196 -2.473 0.857) 4.946 6.483 ( -14.242 -1.824 -7.097) 16.016 6.821 ( -0.188 -0.974 3.956) 4.078 7.086 ( -3.269 -5.068 5.894) 8.433 7.302 ( -5.042 -1.749 -3.223) 6.235 7.672 ( -2.380 -6.525 -10.802) 12.842 8.081 ( -1.958 1.239 -1.390) 2.702 8.851 ( 5.108 -1.980 1.545) 5.692 9.407 ( 1.121 6.176 -0.584) 6.304 9.594 ( 1.829 2.399 4.377) 5.316 16.677 ( 1.785 -0.550 -1.053) 2.144 16.904 ( 5.851 4.760 4.275) 8.670 17.412 ( 1.030 -2.582 -0.920) 2.928 17.578 ( -1.589 1.995 -2.223) 3.383 17.748 ( -5.372 1.762 2.790) 6.305 18.411 ( -6.736 -14.028 -8.339) 17.655 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -5.579 3.173 1.770) 6.658 1.440 ( 3.650 1.368 8.465) 9.320 2.026 ( 1.142 -3.913 1.712) 4.421 2.515 ( -7.881 -3.047 -6.332) 10.559 2.831 ( 2.931 -2.312 -3.095) 4.849 4.128 ( 11.957 5.904 3.288) 13.734 5.123 ( 1.939 2.461 -6.081) 6.841 5.520 ( -0.399 -2.340 5.203) 5.719 5.718 ( -5.619 -4.507 0.611) 7.229 6.224 ( -9.350 -0.683 -5.857) 11.054 6.848 ( 1.136 -0.633 4.040) 4.244 7.065 ( 0.040 -1.328 2.718) 3.025 7.211 ( -3.074 -1.442 -0.918) 3.517 7.535 ( -2.247 -3.046 -7.215) 8.147 8.062 ( -0.925 0.707 -0.567) 1.295 8.909 ( 2.509 -0.756 1.441) 2.991 9.462 ( 0.778 3.113 -0.739) 3.293 9.657 ( 1.183 1.502 2.491) 3.140 16.693 ( 1.185 -0.455 -0.502) 1.365 17.079 ( 7.141 4.789 2.252) 8.888 17.401 ( 1.272 -2.047 -1.111) 2.654 17.561 ( -0.983 1.018 -1.108) 1.797 17.682 ( -7.608 2.323 3.317) 8.618 18.158 ( -3.914 -10.895 -6.304) 13.182 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.000 0.000 0.000) 0.000 1.522 ( -0.000 0.000 0.000) 0.000 2.023 ( -0.000 0.000 0.000) 0.000 2.396 ( 0.000 -0.000 0.000) 0.000 2.840 ( 0.000 -0.000 -0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 5.127 ( -0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.655 ( -0.000 0.000 0.000) 0.000 6.131 ( 0.000 -0.000 0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 7.071 ( -0.000 0.000 0.000) 0.000 7.174 ( 0.000 0.000 -0.000) 0.000 7.479 ( 0.000 -0.000 -0.000) 0.000 8.056 ( 0.000 0.000 0.000) 0.000 8.931 ( 0.000 0.000 0.000) 0.000 9.480 ( 0.000 0.000 0.000) 0.000 9.682 ( 0.000 0.000 0.000) 0.000 16.699 ( -0.000 0.000 0.000) 0.000 17.182 ( 0.000 0.000 0.000) 0.000 17.406 ( 0.000 -0.000 0.000) 0.000 17.554 ( -0.000 0.000 -0.000) 0.000 17.619 ( -0.000 0.000 0.000) 0.000 18.054 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 0.000 0.000 27.677) 27.677 0.485 ( 0.000 0.000 27.677) 27.677 0.631 ( 0.000 0.000 36.201) 36.201 3.100 ( -0.000 -0.000 -5.378) 5.378 3.100 ( -0.000 -0.000 -5.378) 5.378 4.850 ( -0.000 -0.000 -19.583) 19.583 5.417 ( -0.000 -0.000 -1.827) 1.827 5.417 ( -0.000 -0.000 -1.827) 1.827 6.178 ( 0.000 0.000 6.803) 6.803 6.678 ( -0.000 -0.000 -2.064) 2.064 6.678 ( 0.000 -0.000 -2.064) 2.064 6.857 ( 0.000 0.000 9.048) 9.048 7.222 ( 0.000 0.000 7.020) 7.020 7.222 ( 0.000 0.000 7.020) 7.020 8.059 ( -0.000 -0.000 -0.684) 0.684 9.375 ( -0.000 -0.000 -2.761) 2.761 9.375 ( 0.000 -0.000 -2.761) 2.761 10.048 ( -0.000 -0.000 -3.646) 3.646 16.693 ( -0.000 -0.000 -0.278) 0.278 16.693 ( 0.000 -0.000 -0.278) 0.278 17.374 ( 0.000 0.000 1.655) 1.655 17.374 ( 0.000 0.000 1.655) 1.655 17.544 ( 0.000 0.000 0.489) 0.489 19.576 ( -0.000 -0.000 -0.254) 0.254 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 5.971 12.149 17.549) 22.163 0.808 ( 1.529 16.643 26.164) 31.047 1.062 ( 23.352 -2.353 28.617) 37.011 2.967 ( -6.172 -4.681 -8.007) 11.141 3.086 ( -0.865 -1.530 -3.982) 4.352 4.609 ( -10.882 -5.859 -19.411) 23.011 5.344 ( -1.465 -2.033 -5.903) 6.412 5.487 ( 3.748 -0.255 2.934) 4.767 6.113 ( -5.247 -1.745 5.255) 7.628 6.558 ( -5.377 -1.886 -2.122) 6.080 6.822 ( 2.220 4.822 -0.776) 5.365 7.019 ( 11.272 7.685 -1.099) 13.686 7.213 ( -3.652 4.100 9.798) 11.231 7.442 ( 14.576 -2.338 10.515) 18.125 8.049 ( -0.181 0.341 0.967) 1.041 9.200 ( -12.378 -6.367 5.907) 15.121 9.334 ( -0.214 -7.593 1.496) 7.742 9.941 ( -4.320 3.098 -11.894) 13.028 16.670 ( -1.610 0.240 -0.807) 1.816 16.715 ( -0.807 2.745 0.946) 3.013 17.395 ( 2.069 0.519 1.220) 2.457 17.475 ( 4.350 2.822 -0.353) 5.198 17.571 ( 2.340 0.788 0.463) 2.513 19.431 ( -7.924 -6.826 4.588) 11.421 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 7.687 21.337 11.740) 25.538 1.162 ( 6.487 18.039 17.137) 25.713 1.561 ( 23.066 -3.570 21.757) 31.909 2.749 ( -7.959 -6.815 -6.659) 12.415 3.009 ( -2.049 -5.049 -2.961) 6.202 4.218 ( -16.327 -7.977 -15.897) 24.144 5.253 ( -1.751 -3.048 -9.490) 10.120 5.534 ( -0.234 -2.908 6.485) 7.111 6.069 ( -1.340 0.615 -0.209) 1.489 6.472 ( -3.003 0.126 -0.672) 3.080 6.872 ( 0.369 2.654 1.525) 3.083 7.182 ( 6.987 1.395 -6.813) 9.858 7.340 ( -1.094 16.690 11.768) 20.451 7.744 ( 19.633 -6.111 10.786) 23.219 8.080 ( 2.018 1.636 2.251) 3.438 8.970 ( -9.587 -12.181 4.025) 16.015 9.250 ( -3.658 -5.242 0.904) 6.455 9.847 ( -4.173 6.804 -14.605) 16.644 16.644 ( -1.291 0.459 -1.038) 1.719 16.727 ( -2.264 3.569 2.061) 4.702 17.455 ( 2.962 2.206 0.100) 3.694 17.539 ( 2.294 0.333 1.385) 2.701 17.619 ( 1.610 0.689 1.289) 2.175 19.293 ( -4.124 -6.224 1.097) 7.547 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 7.043 20.545 8.049) 23.162 1.516 ( 6.906 17.664 9.839) 21.366 1.903 ( 10.305 -4.531 7.202) 13.364 2.592 ( 1.239 -7.158 3.810) 8.203 2.909 ( -1.386 -6.773 -1.538) 7.082 3.792 ( -17.332 -7.491 -11.669) 22.197 5.121 ( -3.862 -3.471 -10.298) 11.533 5.496 ( -4.457 -4.111 6.089) 8.593 6.075 ( 1.234 1.475 -2.008) 2.781 6.458 ( 0.391 0.956 0.406) 1.110 6.908 ( 0.309 2.291 1.285) 2.645 7.271 ( 7.097 1.670 -3.791) 8.218 7.539 ( -0.208 16.187 6.655) 17.503 8.006 ( 9.090 -1.358 2.963) 9.656 8.214 ( 14.157 -3.665 9.338) 17.351 8.717 ( -8.644 -12.840 -0.438) 15.484 9.136 ( -5.568 -2.217 -2.538) 6.508 9.753 ( -6.400 6.017 -10.060) 13.355 16.628 ( -0.328 0.219 -0.813) 0.903 16.735 ( -2.371 3.452 2.257) 4.757 17.515 ( 1.236 3.718 -1.684) 4.265 17.585 ( 3.688 -2.519 1.989) 4.889 17.643 ( -0.806 0.579 2.662) 2.841 19.193 ( -1.648 -4.674 -2.706) 5.647 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 3.981 14.363 3.258) 15.256 1.789 ( 4.456 8.892 1.363) 10.039 1.887 ( -3.300 -0.746 -1.793) 3.829 2.691 ( 8.311 -6.250 5.246) 11.647 2.866 ( 3.263 -4.672 7.879) 9.724 3.427 ( -13.700 -4.342 -7.571) 16.244 4.963 ( -5.088 -3.152 -7.001) 9.211 5.411 ( -4.624 -3.541 3.635) 6.865 6.098 ( 1.179 1.780 -2.690) 3.435 6.492 ( 1.963 0.324 1.291) 2.371 6.938 ( 0.184 1.947 0.878) 2.144 7.401 ( 9.632 2.937 -5.460) 11.455 7.701 ( 0.449 11.108 4.725) 12.080 8.068 ( 0.037 0.957 -1.285) 1.602 8.408 ( -0.082 -14.150 0.527) 14.160 8.577 ( 12.467 -2.155 7.626) 14.772 9.012 ( -6.156 1.346 -5.765) 8.541 9.632 ( -9.101 3.274 -3.968) 10.454 16.628 ( 0.653 -0.254 -0.161) 0.719 16.739 ( -2.138 2.658 1.591) 3.764 17.542 ( 0.355 2.293 -2.472) 3.390 17.627 ( 1.293 0.183 -0.350) 1.352 17.644 ( 0.000 -2.046 5.072) 5.469 19.124 ( 0.168 -2.516 -5.619) 6.159 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -1.784 -3.532 -2.189) 4.522 1.774 ( -0.560 3.523 1.289) 3.793 1.987 ( 5.055 6.645 -4.832) 9.647 2.718 ( 0.103 -0.642 0.332) 0.730 2.980 ( 3.293 -3.728 11.606) 12.627 3.208 ( -6.736 0.226 -4.680) 8.205 4.855 ( -1.732 -2.179 -0.089) 2.784 5.340 ( -2.729 -1.733 1.715) 3.659 6.111 ( 0.542 1.915 -3.602) 4.115 6.528 ( 1.344 -0.568 1.959) 2.443 6.957 ( -0.159 1.327 0.512) 1.431 7.537 ( 9.677 -0.130 -12.470) 15.785 7.801 ( 0.684 3.149 5.069) 6.007 8.033 ( -1.189 -1.122 -3.049) 3.460 8.240 ( -6.088 -1.753 -2.885) 6.961 8.869 ( 9.859 -2.431 8.288) 13.108 8.916 ( 1.141 4.008 -5.077) 6.568 9.484 ( -9.918 -0.008 1.224) 9.994 16.641 ( 1.210 -0.904 0.955) 1.787 16.733 ( -1.669 1.462 0.266) 2.235 17.542 ( -0.854 2.045 -3.291) 3.967 17.627 ( -0.860 -0.284 3.438) 3.556 17.668 ( 1.742 -1.604 1.375) 2.738 19.085 ( 1.350 -0.599 -7.603) 7.745 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -1.787 -4.928 -7.451) 9.111 1.785 ( 3.373 -2.428 5.249) 6.695 2.072 ( 5.056 1.310 -6.211) 8.115 2.698 ( -4.644 4.123 -2.977) 6.886 2.967 ( -6.968 -4.524 9.034) 12.273 3.164 ( 0.828 4.881 -2.342) 5.477 4.887 ( 4.972 -0.839 6.897) 8.543 5.319 ( -0.521 0.919 1.216) 1.611 6.109 ( -0.031 1.651 -4.157) 4.473 6.543 ( -0.164 -0.927 2.252) 2.441 6.962 ( -0.672 0.659 0.109) 0.948 7.464 ( 0.235 -11.396 -17.854) 21.182 7.913 ( 4.874 3.810 4.790) 7.824 8.002 ( -1.077 1.844 -5.946) 6.318 8.160 ( -0.265 0.328 -3.150) 3.178 8.801 ( -11.887 10.262 -3.016) 15.991 9.143 ( 9.673 -3.874 8.727) 13.591 9.374 ( -0.905 -1.817 2.763) 3.428 16.657 ( 0.643 -1.171 2.230) 2.600 16.720 ( -0.291 -0.118 -0.908) 0.961 17.521 ( -2.190 3.252 -2.885) 4.868 17.640 ( 1.309 -2.373 3.426) 4.368 17.677 ( -0.224 -0.251 0.404) 0.526 19.066 ( 2.064 0.769 -8.565) 8.843 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -3.325 -14.648 -13.448) 20.161 1.904 ( 4.182 2.595 5.053) 7.054 2.080 ( -0.505 -2.189 -4.133) 4.704 2.588 ( -8.505 0.678 -5.697) 10.259 2.854 ( -7.240 -0.941 8.294) 11.050 3.300 ( 8.820 8.806 1.142) 12.516 5.050 ( 8.778 0.195 9.379) 12.848 5.352 ( 0.856 3.315 2.112) 4.023 6.094 ( -0.444 1.041 -3.895) 4.056 6.534 ( -1.462 -0.755 2.355) 2.873 6.949 ( -1.301 0.260 -0.483) 1.412 7.226 ( -2.181 -11.729 -17.903) 21.514 7.863 ( -6.292 -2.448 -6.390) 9.296 8.066 ( 3.188 0.714 -0.237) 3.275 8.230 ( 9.476 4.066 -4.281) 11.165 8.644 ( -17.171 5.741 2.350) 18.257 9.197 ( -3.219 2.118 8.543) 9.372 9.503 ( 13.511 -2.136 0.375) 13.684 16.659 ( -1.106 0.056 1.673) 2.006 16.718 ( 1.899 -2.572 0.325) 3.214 17.507 ( -1.807 3.774 -1.938) 4.611 17.654 ( 0.104 -0.992 0.906) 1.347 17.661 ( -0.651 -2.107 1.372) 2.597 19.067 ( 2.715 1.802 -8.350) 8.963 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -4.370 -21.120 -13.986) 25.705 1.786 ( -19.462 4.454 -14.016) 24.393 2.035 ( -5.653 -8.019 6.517) 11.778 2.495 ( 2.968 -1.893 6.642) 7.517 2.850 ( 0.188 4.831 1.538) 5.074 3.614 ( 16.588 11.563 2.947) 20.434 5.243 ( 8.169 0.304 7.421) 11.041 5.419 ( 0.691 3.985 3.965) 5.664 6.072 ( -0.584 0.462 -2.889) 2.983 6.518 ( -1.630 -0.051 2.849) 3.283 6.918 ( -2.037 0.360 -3.250) 3.852 7.005 ( -1.070 -8.467 -15.288) 17.509 7.682 ( -5.968 -5.042 -9.041) 11.949 8.073 ( -0.797 -0.953 -0.460) 1.325 8.395 ( -18.970 -2.240 7.387) 20.480 8.430 ( 11.676 5.175 -3.754) 13.312 9.241 ( -1.585 5.585 6.818) 8.955 9.689 ( 11.624 -0.128 -3.268) 12.075 16.650 ( -1.240 1.052 0.571) 1.724 16.731 ( 2.004 -3.628 2.501) 4.841 17.509 ( -1.110 3.273 -0.921) 3.576 17.614 ( -3.487 -0.038 0.038) 3.487 17.652 ( 0.677 -3.562 0.727) 3.698 19.092 ( 3.472 2.455 -7.068) 8.249 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -4.406 -23.221 -8.436) 25.096 1.340 ( -28.474 6.292 -19.405) 35.027 1.754 ( -18.513 -17.983 12.841) 28.828 2.694 ( 12.200 3.187 6.557) 14.212 2.933 ( 3.463 5.197 -0.896) 6.309 4.043 ( 20.532 12.622 1.695) 24.161 5.372 ( 3.716 -0.376 3.068) 4.834 5.482 ( 0.233 1.576 5.573) 5.797 6.053 ( -0.735 0.525 -1.890) 2.095 6.528 ( -0.048 1.469 4.491) 4.726 6.828 ( -0.015 -0.854 -16.001) 16.023 6.902 ( -1.377 -2.343 -0.905) 2.865 7.485 ( -5.576 -5.831 -9.796) 12.690 8.033 ( -5.059 0.383 2.927) 5.857 8.103 ( -15.668 -8.882 7.699) 19.587 8.636 ( 10.259 4.003 -0.670) 11.032 9.313 ( 0.335 4.217 4.793) 6.393 9.828 ( 8.370 2.643 -8.263) 12.055 16.650 ( -0.527 1.574 0.429) 1.715 16.740 ( 0.669 -2.770 3.461) 4.483 17.507 ( -2.086 0.847 -0.265) 2.268 17.562 ( -2.245 -0.208 1.143) 2.528 17.622 ( -0.825 -2.468 -0.778) 2.716 19.140 ( 4.095 2.234 -5.049) 6.874 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -4.561 -18.201 5.245) 19.483 0.815 ( -31.507 7.675 -16.191) 36.246 1.317 ( -22.811 -21.801 16.533) 35.623 2.943 ( 10.170 3.700 3.776) 11.462 3.029 ( 4.375 3.145 -2.054) 5.766 4.481 ( 19.589 11.795 -3.396) 23.116 5.400 ( -0.460 -0.913 2.099) 2.334 5.504 ( -0.010 -3.117 3.128) 4.416 6.034 ( -1.791 1.441 -0.813) 2.439 6.600 ( 2.129 3.127 6.268) 7.321 6.773 ( 2.348 3.224 -13.227) 13.815 6.861 ( -1.980 -0.732 0.482) 2.165 7.292 ( -5.026 -5.318 -8.526) 11.235 7.792 ( -16.653 -11.276 11.421) 23.128 8.003 ( -1.764 -0.338 1.345) 2.244 8.826 ( 8.011 2.445 6.887) 10.844 9.373 ( 1.808 0.405 2.117) 2.813 9.911 ( 5.386 5.458 -13.646) 15.653 16.666 ( 0.218 1.613 0.518) 1.708 16.739 ( -1.456 -0.314 3.044) 3.388 17.454 ( -3.236 -1.710 0.820) 3.751 17.550 ( -0.525 -0.822 -1.057) 1.438 17.583 ( -1.512 -0.360 0.863) 1.778 19.205 ( 4.627 1.079 -1.293) 4.924 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 5.196 -4.759 23.089) 24.140 0.925 ( 8.388 3.006 27.548) 28.953 1.292 ( -7.376 23.389 26.897) 36.399 2.956 ( -1.494 -3.451 -9.089) 9.837 3.050 ( -0.427 -0.895 -5.832) 5.916 4.496 ( 0.443 -10.155 -20.974) 23.308 5.338 ( -0.847 -0.166 -5.911) 5.974 5.490 ( -1.574 5.341 -0.739) 5.616 6.136 ( 0.276 -6.868 3.359) 7.651 6.618 ( -0.154 -1.224 -4.679) 4.839 6.744 ( 5.541 3.282 0.700) 6.478 6.963 ( -1.607 -3.125 12.099) 12.598 7.204 ( 2.516 -4.282 6.378) 8.083 7.605 ( -4.864 20.130 9.758) 22.893 8.052 ( 0.268 0.675 0.546) 0.908 9.271 ( 2.937 -2.239 0.103) 3.695 9.353 ( -10.711 -3.737 -2.616) 11.642 9.784 ( 7.081 -16.463 -6.105) 18.932 16.690 ( -1.148 -0.328 -0.146) 1.203 16.718 ( 4.354 3.081 -0.629) 5.371 17.434 ( -3.013 2.854 0.827) 4.232 17.440 ( 2.973 3.271 1.125) 4.561 17.578 ( -0.615 2.763 0.657) 2.906 19.439 ( -1.709 -11.770 2.991) 12.264 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 15.595 6.345 9.579) 19.371 1.313 ( 16.931 1.092 23.885) 29.297 1.563 ( -3.756 22.164 24.406) 33.181 2.778 ( -8.008 -4.054 -9.455) 13.037 2.977 ( -2.170 -5.031 -3.766) 6.648 4.229 ( -7.459 -10.174 -17.832) 21.843 5.245 ( -4.682 0.186 -8.192) 9.438 5.537 ( 1.522 0.998 3.064) 3.564 6.069 ( -1.472 -4.180 -1.765) 4.770 6.534 ( -4.113 -0.116 -0.594) 4.157 6.896 ( 2.894 4.322 -1.486) 5.410 7.030 ( 7.288 -1.327 0.195) 7.410 7.325 ( 12.926 -8.299 15.481) 21.809 7.757 ( -3.961 16.966 8.925) 19.575 8.087 ( 0.969 3.601 1.225) 3.925 9.005 ( -12.246 -15.107 -5.667) 20.256 9.289 ( -1.534 -3.416 6.316) 7.343 9.774 ( 5.657 -2.132 -11.130) 12.665 16.662 ( -1.563 -0.229 -0.692) 1.725 16.799 ( 0.633 4.903 -0.473) 4.966 17.448 ( 1.149 1.817 1.557) 2.655 17.528 ( 2.450 2.602 0.939) 3.695 17.605 ( 0.999 2.228 0.403) 2.474 19.278 ( -4.210 -12.588 1.750) 13.388 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 15.859 9.502 0.808) 18.506 1.688 ( 12.275 1.847 13.424) 18.284 1.835 ( -0.072 14.316 18.796) 23.627 2.577 ( -5.561 -3.331 -3.680) 7.454 2.870 ( -2.238 -5.811 -0.053) 6.227 3.890 ( -12.546 -8.573 -12.734) 19.826 5.116 ( -4.844 -0.327 -9.368) 10.551 5.551 ( -2.286 -3.283 5.824) 7.065 6.022 ( 1.921 -1.690 -5.508) 6.073 6.494 ( -1.923 1.456 1.321) 2.750 6.939 ( -0.196 2.299 1.671) 2.849 7.122 ( 7.409 1.643 -8.402) 11.322 7.581 ( 14.737 -7.814 14.003) 21.779 7.909 ( 2.123 9.901 8.133) 12.988 8.148 ( 0.790 3.623 0.977) 3.835 8.678 ( -6.338 -15.314 -4.920) 17.288 9.238 ( -6.080 -1.004 4.721) 7.763 9.768 ( 1.215 2.435 -11.033) 11.364 16.633 ( -1.074 -0.283 -0.804) 1.371 16.825 ( -2.367 4.471 0.407) 5.075 17.506 ( 3.703 -1.077 1.445) 4.118 17.560 ( -1.279 4.206 -0.755) 4.460 17.656 ( 1.780 0.569 2.683) 3.269 19.121 ( -1.159 -11.376 -2.330) 11.670 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 12.191 7.765 -4.428) 15.117 1.811 ( -0.399 -1.956 -1.924) 2.772 1.977 ( -2.167 2.774 6.089) 7.033 2.590 ( 6.225 1.547 8.482) 10.634 2.843 ( 0.679 -0.838 8.285) 8.355 3.552 ( -13.206 -6.034 -7.692) 16.431 4.985 ( -4.818 -0.316 -7.591) 8.997 5.479 ( -5.236 -4.579 5.234) 8.705 6.028 ( 4.143 -1.223 -6.156) 7.520 6.509 ( -0.235 2.724 2.209) 3.515 6.961 ( -0.239 1.645 1.183) 2.040 7.214 ( 8.970 1.996 -11.095) 14.407 7.748 ( 5.772 -5.139 7.249) 10.595 8.064 ( 0.831 1.343 -1.395) 2.107 8.190 ( 9.542 -7.108 6.876) 13.742 8.513 ( -1.154 -1.907 -0.952) 2.424 9.149 ( -8.041 3.052 2.257) 8.892 9.723 ( -3.122 1.972 -7.089) 7.993 16.616 ( -0.076 -0.445 -0.675) 0.812 16.817 ( -3.198 2.888 0.707) 4.366 17.519 ( 1.402 -3.648 -1.171) 4.079 17.608 ( 1.070 5.668 0.468) 5.787 17.685 ( -0.678 -0.579 4.382) 4.472 19.010 ( 2.397 -9.002 -6.846) 11.561 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.769 -4.067 -5.247) 6.683 1.793 ( 1.607 2.685 -2.393) 3.939 1.918 ( -0.044 -5.063 -6.219) 8.020 2.771 ( 2.558 8.019 5.136) 9.860 2.959 ( 4.342 -0.224 14.999) 15.616 3.292 ( -9.188 -3.293 -4.273) 10.655 4.886 ( -3.573 0.340 -1.821) 4.025 5.390 ( -4.137 -2.629 3.436) 5.986 6.046 ( 3.925 -1.676 -5.791) 7.193 6.550 ( -0.167 3.335 2.584) 4.222 6.974 ( -0.207 0.714 0.468) 0.879 7.292 ( 8.471 -1.716 -15.777) 17.989 7.765 ( 2.885 -8.698 1.306) 9.257 8.009 ( 0.349 -1.967 -2.772) 3.417 8.308 ( -1.038 1.681 0.606) 2.066 8.605 ( 13.860 -3.706 6.610) 15.797 9.086 ( -7.623 8.595 1.804) 11.629 9.622 ( -7.023 -0.237 -2.325) 7.402 16.615 ( 0.965 -0.762 -0.248) 1.254 16.786 ( -3.200 1.012 0.413) 3.382 17.504 ( 2.043 -2.936 -1.839) 4.022 17.668 ( -0.751 0.679 2.905) 3.077 17.684 ( -1.231 3.011 2.532) 4.122 18.950 ( 4.852 -6.263 -10.238) 12.946 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -3.416 -6.363 -6.661) 9.825 1.714 ( 2.088 -7.240 2.456) 7.926 1.947 ( 6.488 1.979 -7.942) 10.444 2.834 ( -5.340 8.516 -2.998) 10.490 3.071 ( -2.120 -2.849 14.902) 15.319 3.166 ( -0.415 -0.230 -3.403) 3.436 4.877 ( 0.835 1.136 5.286) 5.471 5.356 ( -1.440 1.369 2.745) 3.389 6.054 ( 3.102 -1.917 -5.087) 6.259 6.585 ( -1.418 3.448 2.516) 4.497 6.974 ( -0.177 -0.149 -0.354) 0.423 7.215 ( 2.493 -11.821 -18.113) 21.772 7.802 ( 9.076 -1.139 -2.556) 9.497 8.013 ( 0.686 0.356 -0.394) 0.868 8.218 ( -8.191 2.497 -6.953) 11.030 8.872 ( 18.184 -6.912 6.507) 20.513 9.076 ( -7.942 12.000 3.586) 14.830 9.482 ( -8.357 -2.084 2.180) 8.884 16.629 ( 1.785 -1.238 0.635) 2.263 16.743 ( -2.694 -0.248 0.102) 2.707 17.512 ( 2.702 -1.251 -2.083) 3.634 17.643 ( -2.392 -2.065 4.224) 5.276 17.720 ( -1.336 4.551 0.674) 4.791 18.928 ( 6.026 -3.698 -11.840) 13.790 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -8.119 -12.062 -8.217) 16.702 1.825 ( 9.518 0.091 5.373) 10.930 2.013 ( 4.504 -0.383 -4.591) 6.442 2.729 ( -10.558 5.605 -10.001) 15.586 3.008 ( -7.991 -4.874 10.981) 14.429 3.235 ( 7.076 2.946 0.162) 7.666 4.989 ( 5.983 1.726 8.256) 10.341 5.398 ( 0.316 4.998 3.712) 6.234 6.053 ( 2.141 -1.868 -3.550) 4.547 6.595 ( -2.761 3.207 2.066) 4.709 6.954 ( 0.325 -2.905 -6.898) 7.492 7.016 ( -0.504 -11.209 -10.583) 15.424 7.955 ( -1.736 0.984 -3.197) 3.768 7.971 ( 4.017 3.354 -6.637) 8.452 8.104 ( 1.167 -0.407 -6.274) 6.394 8.944 ( -9.897 1.932 -0.203) 10.086 9.204 ( 12.452 -0.080 9.417) 15.612 9.381 ( -4.337 -0.193 3.853) 5.804 16.655 ( 2.343 -1.925 1.778) 3.515 16.703 ( -2.059 -0.283 0.488) 2.134 17.537 ( 1.672 1.523 -2.487) 3.361 17.614 ( -0.886 -3.163 3.438) 4.755 17.724 ( -3.044 3.169 0.410) 4.413 18.937 ( 6.412 -1.269 -11.676) 13.381 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -10.666 -10.912 -4.210) 15.829 1.975 ( -6.091 1.035 -4.093) 7.411 2.015 ( 5.959 -0.320 1.923) 6.269 2.537 ( -8.300 -0.503 -3.054) 8.859 2.905 ( -4.738 -2.538 4.361) 6.921 3.450 ( 15.057 4.673 1.088) 15.802 5.165 ( 7.702 1.924 6.444) 10.225 5.478 ( 0.256 5.056 3.921) 6.403 6.050 ( 1.180 -1.570 -1.191) 2.296 6.589 ( -2.986 3.584 2.401) 5.247 6.797 ( 1.250 -9.918 -16.114) 18.963 6.957 ( -1.628 -0.679 1.292) 2.187 7.757 ( -11.137 1.567 -9.963) 15.025 8.058 ( 0.890 -0.857 -0.083) 1.238 8.205 ( 13.788 2.009 -8.263) 16.200 8.723 ( -17.208 -1.591 3.194) 17.574 9.365 ( -2.115 2.391 2.572) 4.100 9.456 ( 13.513 -0.818 5.052) 14.449 16.665 ( 0.402 -2.277 -0.110) 2.314 16.704 ( 0.565 0.419 4.704) 4.756 17.557 ( -0.823 3.744 -1.862) 4.262 17.595 ( 1.167 -4.423 0.845) 4.652 17.690 ( -4.203 1.588 0.917) 4.586 18.975 ( 6.392 0.784 -10.291) 12.140 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -12.317 -2.961 7.005) 14.476 1.714 ( -21.657 5.282 -13.096) 25.854 1.940 ( -13.417 -11.169 8.557) 19.442 2.566 ( 9.767 1.022 5.559) 11.284 2.879 ( 2.904 -1.080 -3.418) 4.613 3.797 ( 21.199 5.170 0.490) 21.826 5.319 ( 5.705 1.243 3.398) 6.756 5.516 ( -0.854 0.517 0.306) 1.044 6.051 ( 0.641 -0.813 0.574) 1.184 6.605 ( -2.644 2.699 5.007) 6.273 6.687 ( 3.295 -1.729 -10.256) 10.910 6.930 ( -2.290 -0.002 1.283) 2.625 7.542 ( -10.278 2.485 -11.160) 15.374 8.040 ( -0.977 -2.367 -0.405) 2.592 8.329 ( -4.115 -5.916 1.188) 7.304 8.509 ( -0.263 2.673 -0.474) 2.727 9.363 ( -0.234 -0.301 -1.287) 1.342 9.672 ( 9.597 3.201 1.765) 10.270 16.654 ( 0.484 -1.433 0.196) 1.525 16.752 ( 0.490 0.618 6.511) 6.558 17.556 ( -2.176 2.255 -1.364) 3.418 17.565 ( 0.062 -3.412 -1.516) 3.735 17.647 ( -3.250 0.861 2.302) 4.074 19.034 ( 6.106 1.918 -8.188) 10.392 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -11.839 10.651 21.025) 26.375 1.292 ( -28.179 8.685 -12.966) 32.212 1.583 ( -21.552 -18.021 16.355) 32.507 2.802 ( 12.662 1.549 3.586) 13.251 2.914 ( 6.495 -2.276 -7.039) 9.845 4.187 ( 22.669 3.469 -3.841) 23.252 5.403 ( 2.133 -0.041 3.114) 3.775 5.464 ( -1.054 -4.235 -5.087) 6.702 6.062 ( 0.223 0.522 0.829) 1.005 6.578 ( 1.293 -4.072 -2.115) 4.767 6.791 ( 2.017 11.482 7.014) 13.605 6.905 ( -2.242 1.483 2.343) 3.565 7.351 ( -9.620 4.774 -11.700) 15.881 7.935 ( -9.009 -10.429 1.229) 13.836 8.111 ( -10.069 -2.352 6.299) 12.108 8.685 ( 13.121 1.440 0.972) 13.235 9.334 ( 0.863 -3.280 -4.458) 5.601 9.839 ( 5.510 7.647 -2.806) 9.834 16.657 ( 1.061 -0.954 0.308) 1.460 16.794 ( -0.922 0.563 6.176) 6.270 17.496 ( -2.861 -1.470 -1.785) 3.678 17.546 ( -1.120 -0.392 0.317) 1.228 17.624 ( -2.219 0.568 1.653) 2.824 19.112 ( 6.043 2.272 -4.533) 7.889 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -10.730 -8.252 23.047) 26.728 1.072 ( -4.975 1.509 21.316) 21.941 1.755 ( -6.654 20.936 19.362) 29.282 2.837 ( 6.385 -0.949 -5.430) 8.435 3.021 ( -0.377 -1.181 -5.628) 5.763 4.200 ( 8.508 -12.185 -18.659) 23.854 5.270 ( 3.942 1.407 -9.657) 10.524 5.589 ( -2.626 4.954 0.040) 5.607 6.062 ( 2.091 -5.913 2.269) 6.670 6.493 ( 5.102 -2.922 0.259) 5.885 6.806 ( -4.945 -0.691 0.880) 5.070 7.077 ( -7.375 -0.825 5.603) 9.299 7.205 ( -2.699 -4.202 6.837) 8.467 7.904 ( -3.733 14.755 5.743) 16.268 8.099 ( -2.131 7.380 5.558) 9.481 9.167 ( 9.182 -0.987 1.553) 9.364 9.413 ( 12.069 -2.004 3.571) 12.745 9.495 ( -12.790 -18.162 -17.259) 28.131 16.662 ( 3.894 1.196 0.393) 4.092 16.703 ( -0.686 -0.670 0.826) 1.266 17.441 ( 0.066 2.110 -1.129) 2.394 17.525 ( -3.818 2.394 1.998) 4.929 17.624 ( -0.823 1.989 1.471) 2.607 19.341 ( 2.413 -9.083 0.704) 9.424 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 8.716 -0.535 16.373) 18.556 1.249 ( 8.460 -0.053 23.979) 25.428 1.949 ( -4.504 17.651 15.229) 23.744 2.818 ( -5.126 -0.072 -5.450) 7.483 2.943 ( -1.554 -3.172 -4.185) 5.477 4.071 ( 2.024 -11.104 -16.895) 20.318 5.260 ( -0.862 1.426 -10.111) 10.247 5.569 ( -2.725 4.364 -2.026) 5.530 6.023 ( -0.310 -6.564 -1.267) 6.692 6.537 ( 2.461 -3.709 -1.133) 4.593 6.808 ( 5.015 1.213 2.939) 5.938 7.031 ( -2.812 -3.714 10.878) 11.834 7.207 ( 3.004 -3.208 6.029) 7.461 7.966 ( -1.708 6.060 1.432) 6.457 8.201 ( -3.924 14.674 7.232) 16.824 8.993 ( -12.770 -22.882 -13.054) 29.276 9.279 ( 4.078 -0.009 2.713) 4.898 9.579 ( 9.154 -0.961 -1.768) 9.373 16.683 ( -1.548 -0.213 -0.056) 1.564 16.778 ( 5.822 4.074 -0.741) 7.145 17.459 ( 0.070 0.803 -1.404) 1.619 17.522 ( 0.544 2.712 2.362) 3.637 17.639 ( -0.791 2.232 1.059) 2.594 19.219 ( -3.234 -14.561 0.230) 14.917 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 15.710 4.629 5.544) 17.290 1.555 ( 13.122 -1.689 19.088) 23.225 2.071 ( -3.916 7.235 6.471) 10.467 2.658 ( -8.383 -0.764 -4.241) 9.426 2.895 ( -2.741 2.059 4.016) 5.280 3.878 ( -4.521 -8.106 -12.085) 15.238 5.153 ( -5.627 1.228 -10.176) 11.693 5.574 ( -0.069 -0.223 1.688) 1.704 5.939 ( 0.006 -4.441 -6.608) 7.962 6.524 ( 0.273 -1.180 0.557) 1.333 6.926 ( 5.585 2.570 -4.646) 7.706 7.030 ( 0.148 -2.541 6.428) 6.913 7.330 ( 12.070 -9.367 14.279) 20.912 8.004 ( 0.285 3.717 1.264) 3.936 8.255 ( -7.228 5.962 -1.722) 9.526 8.608 ( -4.817 -12.359 -3.855) 13.813 9.324 ( -1.254 -0.082 5.145) 5.296 9.670 ( 5.397 1.235 -6.815) 8.780 16.651 ( -1.861 -0.014 -0.625) 1.964 16.874 ( 1.426 4.341 -1.055) 4.689 17.456 ( 1.021 -1.632 -0.120) 1.928 17.596 ( 2.930 3.119 0.982) 4.391 17.654 ( -0.212 1.915 1.055) 2.197 19.014 ( -3.126 -16.143 -1.752) 16.536 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 14.162 4.894 -1.568) 15.066 1.761 ( 4.373 -2.953 4.094) 6.679 2.022 ( -4.276 -5.261 -0.884) 6.836 2.576 ( 1.858 -1.552 5.459) 5.971 2.955 ( -2.241 9.284 9.066) 13.168 3.648 ( -10.126 -4.394 -5.954) 12.541 5.022 ( -4.933 1.282 -7.967) 9.458 5.545 ( -3.866 -3.970 5.132) 7.553 5.893 ( 4.317 -2.176 -10.419) 11.485 6.542 ( 0.963 1.210 2.132) 2.634 6.970 ( 1.600 1.766 -4.919) 5.466 7.063 ( 3.806 -0.721 -1.461) 4.140 7.529 ( 13.679 -13.845 13.600) 23.744 8.034 ( -1.976 -6.033 -6.399) 9.014 8.095 ( 1.514 -2.622 -0.461) 3.062 8.568 ( -2.397 6.489 2.265) 7.279 9.309 ( -5.209 2.505 5.559) 8.019 9.700 ( 1.957 1.236 -7.228) 7.589 16.621 ( -1.346 0.018 -0.770) 1.551 16.892 ( -2.509 3.003 -0.515) 3.947 17.451 ( 1.438 -3.794 -0.731) 4.122 17.665 ( 0.050 6.123 0.083) 6.123 17.691 ( 2.224 -0.706 3.601) 4.291 18.828 ( 1.107 -14.994 -6.033) 16.200 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 5.397 -0.235 -5.652) 7.818 1.753 ( 2.285 -0.116 -3.416) 4.111 1.852 ( -5.190 -10.534 -4.337) 12.519 2.741 ( 10.184 0.249 10.672) 14.754 3.045 ( -1.001 5.274 4.984) 7.325 3.425 ( -12.513 -0.011 -0.102) 12.514 4.944 ( -3.307 2.444 -2.027) 4.584 5.461 ( -4.956 -2.974 4.723) 7.464 5.903 ( 6.059 -2.062 -9.562) 11.506 6.595 ( 1.124 3.106 2.779) 4.317 6.966 ( 0.891 -0.187 -6.048) 6.116 7.096 ( 3.714 -2.715 -6.092) 7.634 7.597 ( 5.708 -13.356 2.343) 14.713 7.935 ( 3.861 -4.936 -2.398) 6.710 8.215 ( 9.967 -2.237 4.572) 11.192 8.577 ( -4.171 5.181 -1.002) 6.726 9.293 ( -5.845 7.142 5.545) 10.766 9.669 ( -2.014 -0.580 -4.598) 5.053 16.602 ( -0.361 -0.086 -0.673) 0.769 16.855 ( -3.982 1.030 0.002) 4.113 17.432 ( 1.686 -3.699 -0.997) 4.185 17.702 ( -0.424 -0.641 3.693) 3.772 17.748 ( 0.048 5.459 2.082) 5.842 18.713 ( 6.102 -11.812 -10.782) 17.117 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 1.205 -1.287 -3.646) 4.050 1.639 ( -4.435 -11.003 -1.629) 11.975 1.823 ( 6.251 1.181 -5.673) 8.524 2.916 ( 2.486 3.413 1.156) 4.378 3.081 ( 3.589 -3.536 0.988) 5.134 3.258 ( -11.309 1.940 5.226) 12.609 4.935 ( -1.894 2.476 5.120) 5.994 5.420 ( -2.169 2.029 4.039) 5.014 5.930 ( 5.582 -2.120 -6.869) 9.101 6.654 ( -0.172 4.077 2.121) 4.599 6.915 ( 1.376 -4.742 -12.387) 13.335 7.043 ( -0.760 -5.816 -2.447) 6.355 7.614 ( 8.738 -3.406 -4.389) 10.355 7.974 ( 3.771 -1.965 1.118) 4.396 8.314 ( -1.780 1.069 -4.572) 5.021 8.593 ( 9.115 -4.520 4.402) 11.086 9.314 ( -5.754 10.077 4.457) 12.431 9.576 ( -5.349 -2.752 -0.466) 6.033 16.600 ( 0.730 -0.328 -0.322) 0.863 16.795 ( -3.813 -0.270 0.574) 3.865 17.436 ( 2.970 -2.446 -0.567) 3.890 17.689 ( -2.079 -2.082 4.203) 5.130 17.800 ( -1.687 5.760 1.338) 6.149 18.680 ( 9.294 -7.404 -13.101) 17.687 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -9.192 -5.660 -1.706) 10.928 1.691 ( 9.645 -0.439 3.141) 10.153 1.894 ( 6.039 -0.312 -4.424) 7.492 2.879 ( -7.675 4.391 -9.020) 12.632 3.100 ( 1.973 -1.692 -3.262) 4.171 3.169 ( -3.818 -5.338 11.049) 12.851 4.991 ( 1.797 1.924 8.014) 8.435 5.469 ( 0.094 5.546 3.658) 6.645 5.965 ( 4.323 -1.371 -2.821) 5.341 6.666 ( -1.252 0.695 -4.510) 4.732 6.792 ( -0.838 -4.847 -9.461) 10.663 6.991 ( -0.767 -2.437 1.622) 3.026 7.748 ( 12.571 1.442 -7.837) 14.884 8.014 ( 1.868 -1.014 1.577) 2.647 8.162 ( -11.266 3.706 -10.800) 16.040 8.785 ( 15.803 -9.712 5.280) 19.286 9.305 ( -8.482 6.268 2.159) 10.765 9.484 ( -3.929 -0.414 4.848) 6.254 16.614 ( 1.567 -0.743 0.234) 1.750 16.745 ( -2.603 -0.251 1.587) 3.059 17.470 ( 3.723 -1.588 -0.519) 4.081 17.655 ( -2.695 -0.968 2.667) 3.913 17.809 ( -3.142 3.433 0.600) 4.692 18.717 ( 9.952 -2.539 -12.225) 15.967 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -11.415 0.750 5.063) 12.510 1.894 ( 10.801 2.919 0.669) 11.208 1.954 ( 4.555 -2.531 -0.168) 5.214 2.684 ( -12.411 3.662 -12.025) 17.664 3.014 ( -9.063 -6.786 8.465) 14.137 3.233 ( 12.853 -2.420 -1.103) 13.125 5.115 ( 5.477 2.367 6.506) 8.827 5.528 ( 0.200 2.599 0.192) 2.614 6.003 ( 2.436 -1.289 0.571) 2.815 6.597 ( 1.758 -2.404 -10.243) 10.667 6.731 ( -4.434 3.401 2.172) 5.995 6.980 ( -0.538 -0.459 1.797) 1.931 7.892 ( -0.506 2.773 -14.138) 14.417 7.972 ( 1.703 4.855 -5.759) 7.722 8.042 ( 0.996 -1.402 -0.253) 1.738 8.864 ( -0.359 -9.034 0.837) 9.080 9.249 ( 0.860 -2.921 3.057) 4.315 9.509 ( -0.501 5.268 6.829) 8.640 16.630 ( 1.158 -1.454 0.374) 1.896 16.737 ( -0.319 0.880 3.550) 3.672 17.504 ( 3.109 -2.527 -1.436) 4.256 17.624 ( -2.332 1.311 0.670) 2.758 17.775 ( -3.931 1.185 0.728) 4.170 18.802 ( 8.860 1.579 -9.910) 13.386 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -11.907 10.590 14.301) 21.411 1.912 ( -5.587 -2.665 -0.844) 6.247 2.046 ( -1.374 2.254 -2.470) 3.615 2.504 ( -1.932 0.698 -3.463) 4.027 2.848 ( -5.865 -7.318 2.320) 9.661 3.483 ( 19.912 -0.991 -0.445) 19.941 5.258 ( 5.835 1.916 3.038) 6.852 5.505 ( -0.789 -3.390 -5.137) 6.204 6.023 ( 1.813 -1.432 0.239) 2.322 6.574 ( 0.412 -0.965 -3.956) 4.093 6.757 ( -1.396 8.967 8.117) 12.176 6.978 ( -1.722 1.538 2.242) 3.218 7.701 ( -11.737 7.527 -14.051) 19.795 8.033 ( -0.647 -2.360 0.774) 2.567 8.144 ( 13.115 1.179 -6.692) 14.771 8.671 ( -12.054 -6.276 1.514) 13.674 9.268 ( 4.140 -6.357 -1.530) 7.739 9.640 ( 4.816 5.905 7.051) 10.382 16.631 ( 0.574 -1.412 0.404) 1.577 16.784 ( 1.202 1.124 5.235) 5.487 17.499 ( 1.596 -3.376 -2.924) 4.742 17.612 ( -1.923 2.208 0.084) 2.930 17.724 ( -3.839 0.133 1.432) 4.099 18.907 ( 7.189 4.184 -7.524) 11.216 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -10.580 18.682 20.471) 29.665 1.687 ( -19.683 3.126 -5.087) 20.569 1.847 ( -17.592 -8.149 7.267) 20.705 2.610 ( 11.443 -1.870 -1.346) 11.673 2.764 ( 3.247 -3.266 -3.143) 5.576 3.806 ( 22.437 -2.452 -2.789) 22.742 5.346 ( 3.395 -1.833 -3.897) 5.484 5.416 ( -0.030 -3.830 -3.121) 4.941 6.050 ( 1.775 0.593 0.037) 1.872 6.530 ( -1.215 -2.384 -1.590) 3.112 6.895 ( 0.436 3.664 6.816) 7.751 7.014 ( -1.119 9.463 10.743) 14.360 7.531 ( -10.875 13.384 -14.297) 22.401 7.968 ( -4.732 -6.219 1.915) 8.046 8.226 ( -1.942 -5.405 0.075) 5.744 8.533 ( 3.443 1.351 -1.260) 3.908 9.242 ( 2.006 -5.776 -3.255) 6.927 9.813 ( 5.917 5.210 2.483) 8.266 16.633 ( 0.849 -0.891 0.359) 1.282 16.830 ( 0.154 -0.921 4.514) 4.610 17.480 ( 0.948 -1.225 -1.961) 2.499 17.592 ( -2.774 0.451 1.489) 3.180 17.674 ( -2.967 -0.290 0.285) 2.995 19.021 ( 6.083 5.342 -4.794) 9.408 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -19.552 -7.605 17.559) 27.358 1.315 ( -11.714 -0.548 13.409) 17.813 2.029 ( 0.976 8.909 4.670) 10.106 2.771 ( 4.110 9.193 6.277) 11.866 2.973 ( 1.720 -0.286 -3.823) 4.202 3.817 ( 12.123 -12.740 -15.309) 23.316 5.139 ( 5.589 0.796 -11.943) 13.210 5.609 ( 4.612 -0.775 4.882) 6.761 6.023 ( -1.685 -2.643 -1.098) 3.321 6.447 ( -0.580 -0.175 0.634) 0.877 6.865 ( -3.031 -1.316 1.333) 3.563 7.206 ( -6.008 5.802 -7.374) 11.142 7.305 ( -10.249 -9.968 15.061) 20.766 8.013 ( -1.727 2.313 -0.690) 2.968 8.360 ( -5.702 18.544 11.673) 22.642 8.948 ( 15.242 -7.620 2.204) 17.183 9.146 ( 5.449 -7.175 -12.206) 15.170 9.533 ( -7.153 -5.335 -5.612) 10.542 16.630 ( 1.507 0.646 0.681) 1.776 16.712 ( -0.430 -0.990 1.836) 2.130 17.457 ( -1.698 0.925 -2.707) 3.327 17.615 ( -1.993 3.001 1.421) 3.872 17.649 ( -0.605 -0.594 3.317) 3.424 19.217 ( 2.929 -6.845 -2.963) 8.013 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -6.386 -4.026 19.254) 20.681 1.304 ( -0.269 -1.595 19.080) 19.148 2.137 ( 1.114 5.368 1.917) 5.808 2.903 ( -5.156 -0.882 -3.030) 6.045 2.939 ( 0.591 8.172 4.373) 9.287 3.789 ( 8.920 -10.308 -14.106) 19.616 5.168 ( 5.047 1.669 -12.873) 13.928 5.643 ( -2.153 2.233 -2.823) 4.194 5.964 ( -0.849 -5.901 0.383) 5.974 6.447 ( 1.778 -3.764 2.353) 4.782 6.820 ( -1.723 -0.760 3.566) 4.033 7.119 ( -5.071 -2.683 7.034) 9.077 7.217 ( -2.872 -1.662 4.405) 5.515 8.006 ( -0.636 1.768 -0.982) 2.120 8.486 ( -6.403 15.986 7.926) 18.957 8.801 ( -3.620 -28.280 -14.276) 31.885 9.197 ( 8.157 3.962 -2.981) 9.546 9.499 ( 2.624 1.695 3.319) 4.558 16.703 ( 0.216 0.315 -0.349) 0.517 16.716 ( 4.408 3.210 1.609) 5.685 17.444 ( 0.521 1.234 -3.183) 3.453 17.594 ( -4.012 1.907 2.136) 4.929 17.659 ( 0.491 -0.680 2.235) 2.387 19.115 ( -1.325 -13.964 -3.096) 14.365 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 8.294 1.454 11.845) 14.533 1.471 ( 8.518 -2.870 19.513) 21.483 2.156 ( -2.132 -0.689 -1.662) 2.790 2.729 ( -7.631 -5.254 -5.857) 10.961 3.040 ( -2.470 9.240 5.972) 11.276 3.764 ( 3.755 -3.318 -7.552) 9.064 5.159 ( -0.044 1.869 -12.324) 12.465 5.587 ( -2.460 2.073 -5.549) 6.414 5.878 ( -2.168 -6.430 -2.254) 7.150 6.458 ( 3.611 -6.061 2.869) 7.616 6.856 ( 2.959 -0.194 3.911) 4.908 7.077 ( -2.688 -3.685 9.098) 10.177 7.219 ( 2.558 -2.673 5.255) 6.426 8.017 ( 0.511 1.721 -0.782) 1.958 8.307 ( -9.302 -18.279 -15.247) 25.556 8.639 ( -2.379 7.751 6.394) 10.326 9.327 ( 4.578 2.539 1.510) 5.448 9.582 ( 3.786 1.526 -0.541) 4.118 16.682 ( -1.950 0.360 -0.302) 2.006 16.853 ( 5.410 5.075 -0.584) 7.441 17.438 ( -0.249 -0.494 -2.554) 2.614 17.584 ( 0.371 1.358 1.665) 2.181 17.674 ( 0.568 -0.221 1.852) 1.950 18.901 ( -3.931 -17.997 -3.283) 18.712 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 12.836 2.814 3.859) 13.696 1.674 ( 7.194 -4.219 10.358) 13.298 2.042 ( -6.136 -5.239 -3.255) 8.699 2.562 ( -2.268 -5.393 0.597) 5.880 3.093 ( -1.273 3.827 0.277) 4.043 3.752 ( -4.903 5.367 1.305) 7.386 5.068 ( -4.360 2.099 -8.792) 10.036 5.567 ( 0.818 -0.443 -1.659) 1.902 5.766 ( -0.887 -4.726 -7.769) 9.136 6.495 ( 5.098 -4.384 2.969) 7.349 6.905 ( 1.947 -0.309 -1.962) 2.781 7.065 ( -1.156 -2.157 6.284) 6.744 7.309 ( 8.516 -8.342 10.311) 15.762 7.938 ( -4.599 -14.339 -12.230) 19.399 8.056 ( 1.855 0.287 -0.479) 1.937 8.705 ( -3.284 8.590 2.964) 9.663 9.406 ( 0.246 2.478 4.987) 5.574 9.633 ( 2.627 1.625 -4.639) 5.573 16.650 ( -2.246 0.662 -0.631) 2.425 16.941 ( 0.192 4.531 -1.035) 4.652 17.406 ( -0.234 -2.345 -1.170) 2.632 17.645 ( 4.337 0.594 1.173) 4.532 17.701 ( 1.127 1.716 1.803) 2.733 18.650 ( -2.452 -18.768 -4.953) 19.565 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 9.832 0.407 -1.090) 9.901 1.692 ( 0.014 -5.101 -2.558) 5.706 1.858 ( -7.677 -5.836 -2.379) 9.933 2.626 ( 9.691 -2.722 10.583) 14.606 3.064 ( -0.565 -2.982 -5.778) 6.527 3.693 ( -13.162 8.569 4.188) 16.254 5.009 ( -2.297 3.675 -1.071) 4.464 5.542 ( -4.093 -2.013 5.027) 6.788 5.716 ( 6.413 -1.467 -13.459) 14.981 6.570 ( 5.593 -2.094 2.767) 6.582 6.887 ( 0.159 -1.587 -6.994) 7.174 7.062 ( -0.734 -2.345 3.920) 4.626 7.396 ( 6.847 -10.637 3.792) 13.206 7.779 ( 4.881 -8.109 -2.899) 9.899 8.109 ( 4.271 -0.243 1.089) 4.414 8.707 ( -5.616 5.993 -1.752) 8.398 9.449 ( -2.348 4.278 6.330) 7.993 9.641 ( 0.761 0.369 -5.420) 5.486 16.620 ( -1.812 0.801 -0.638) 2.082 16.933 ( -4.120 2.345 -0.482) 4.765 17.380 ( 0.542 -2.539 -0.441) 2.633 17.700 ( 1.679 -2.690 4.177) 5.244 17.790 ( 3.362 6.708 0.941) 7.562 18.445 ( 2.915 -16.637 -8.916) 19.099 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 2.810 -3.372 -1.659) 4.693 1.650 ( -2.269 -3.038 -4.737) 6.067 1.712 ( 0.454 -1.998 -0.272) 2.067 2.848 ( 10.306 -0.562 8.593) 13.430 2.974 ( 0.730 -7.005 -7.367) 10.192 3.539 ( -15.825 5.637 1.532) 16.869 5.028 ( -2.162 2.651 6.413) 7.268 5.501 ( -2.706 1.582 3.509) 4.705 5.768 ( 7.925 0.743 -8.374) 11.554 6.642 ( 3.827 -2.410 -1.865) 4.892 6.815 ( -0.976 -1.121 -6.302) 6.475 7.032 ( -1.766 -3.442 2.200) 4.451 7.425 ( 7.404 -3.722 -4.488) 9.424 7.855 ( 8.780 -5.435 4.162) 11.133 8.202 ( 7.775 -2.599 2.020) 8.443 8.621 ( -7.652 3.371 -4.361) 9.430 9.487 ( -3.026 5.884 4.913) 8.241 9.598 ( -2.018 -2.087 -3.127) 4.266 16.602 ( -0.924 0.774 -0.464) 1.291 16.868 ( -5.025 0.388 0.370) 5.053 17.379 ( 1.700 -1.485 0.371) 2.287 17.710 ( -0.203 -3.393 4.982) 6.032 17.888 ( -1.010 6.379 1.648) 6.665 18.363 ( 10.640 -10.219 -12.080) 19.067 ======================= Grid point 205 (106/294) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -3.543 -2.919 1.102) 4.721 1.578 ( 3.485 2.723 1.332) 4.619 1.772 ( 6.082 -0.686 -2.122) 6.477 2.878 ( 1.630 -4.776 -8.334) 9.743 3.004 ( 4.323 -1.899 1.928) 5.100 3.337 ( -13.361 0.265 2.304) 13.561 5.051 ( -1.495 0.595 8.813) 8.958 5.514 ( 0.261 1.687 -0.618) 1.815 5.876 ( 5.887 2.959 -0.681) 6.624 6.583 ( -0.386 -3.289 -10.450) 10.963 6.828 ( -0.282 5.295 2.424) 5.830 6.984 ( -0.953 -3.416 1.396) 3.812 7.522 ( 10.696 0.359 -8.001) 13.363 7.954 ( 5.343 -2.851 3.404) 6.948 8.277 ( -0.860 1.457 -4.569) 4.872 8.542 ( 3.251 -4.640 1.798) 5.944 9.475 ( -7.072 1.954 -1.564) 7.502 9.544 ( -0.931 -0.210 4.350) 4.453 16.600 ( 0.138 0.666 -0.191) 0.707 16.800 ( -3.703 -0.401 1.251) 3.929 17.406 ( 2.537 -0.924 0.423) 2.733 17.692 ( -1.488 -2.455 3.745) 4.719 17.886 ( -3.235 1.663 -0.664) 3.698 18.452 ( 13.064 -0.462 -9.211) 15.991 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -6.152 4.588 5.669) 9.541 1.753 ( 10.940 3.795 2.635) 11.875 1.846 ( 4.910 -0.692 -1.513) 5.184 2.801 ( -4.478 -0.005 -10.234) 11.171 3.024 ( 5.237 -2.044 -3.220) 6.479 3.154 ( -10.190 -6.970 7.771) 14.588 5.111 ( 2.119 1.225 7.395) 7.789 5.505 ( 0.695 -2.756 -5.155) 5.886 5.958 ( 2.501 -0.677 0.069) 2.592 6.546 ( 0.618 5.031 -3.282) 6.038 6.863 ( -3.983 5.570 2.913) 7.441 6.983 ( 1.645 0.622 2.336) 2.924 7.662 ( 12.264 1.351 -11.767) 17.049 8.011 ( 2.347 -1.361 1.937) 3.333 8.152 ( -11.739 7.757 -8.152) 16.261 8.642 ( 12.150 -11.855 4.843) 17.652 9.337 ( -8.409 -2.174 0.959) 8.738 9.576 ( 0.388 2.291 3.646) 4.323 16.612 ( 0.591 0.426 -0.035) 0.730 16.767 ( -1.035 -0.225 2.253) 2.489 17.433 ( 2.190 -1.843 -1.067) 3.055 17.668 ( -1.642 -0.111 1.378) 2.147 17.835 ( -2.903 -0.614 -0.503) 3.009 18.626 ( 10.733 5.255 -5.963) 13.356 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -5.086 11.076 10.929) 16.370 1.886 ( 2.783 -1.384 -2.067) 3.733 1.981 ( 9.874 3.633 0.950) 10.564 2.607 ( -11.738 3.713 -11.066) 16.554 2.946 ( -11.048 -10.861 8.845) 17.840 3.171 ( 15.510 -2.216 -0.310) 15.671 5.207 ( 4.149 0.637 2.485) 4.878 5.423 ( -0.155 -6.726 -7.749) 10.262 5.976 ( 2.348 -0.610 -0.749) 2.539 6.594 ( -1.772 3.432 1.180) 4.038 6.885 ( -0.696 4.131 5.005) 6.527 7.063 ( -0.525 9.643 6.357) 11.562 7.758 ( 5.466 4.272 -19.142) 20.361 8.023 ( -0.555 4.546 -4.113) 6.156 8.048 ( -4.023 2.382 3.240) 5.688 8.678 ( 2.444 -11.823 1.838) 12.212 9.213 ( -4.032 -3.814 2.332) 6.020 9.647 ( 3.594 2.097 3.563) 5.478 16.620 ( 0.124 0.047 -0.039) 0.138 16.789 ( 1.649 -0.155 2.997) 3.424 17.430 ( 1.576 -2.110 -2.537) 3.657 17.655 ( -1.375 1.016 0.354) 1.746 17.780 ( -3.075 -1.191 0.526) 3.339 18.807 ( 7.840 7.764 -4.234) 11.818 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -4.404 14.538 12.438) 19.633 1.867 ( -3.407 -3.334 1.985) 5.164 2.042 ( -7.155 2.890 -6.005) 9.778 2.477 ( -0.824 1.757 -2.436) 3.114 2.748 ( -5.980 -6.580 5.634) 10.526 3.428 ( 19.056 -3.878 -0.478) 19.453 5.225 ( 2.311 -6.117 -9.395) 11.447 5.357 ( 2.264 -2.252 0.066) 3.195 6.027 ( 2.699 2.328 0.333) 3.580 6.554 ( -3.814 -0.978 0.040) 3.938 6.935 ( 0.148 0.558 3.131) 3.184 7.215 ( -2.110 12.250 13.796) 18.570 7.717 ( -4.168 15.193 -19.583) 25.134 8.021 ( -4.778 -0.911 6.265) 7.932 8.100 ( 7.575 0.488 -3.910) 8.539 8.559 ( -4.726 -6.365 0.950) 7.984 9.157 ( 0.294 -5.107 0.653) 5.157 9.757 ( 6.067 0.245 1.653) 6.293 16.622 ( 0.222 0.041 -0.077) 0.239 16.824 ( 1.239 -2.097 2.198) 3.281 17.438 ( 2.352 0.291 -0.793) 2.499 17.641 ( -1.771 0.299 1.049) 2.079 17.716 ( -3.500 -1.572 -0.506) 3.870 18.966 ( 5.618 8.089 -3.403) 10.420 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -18.431 -5.733 10.011) 21.744 1.572 ( -14.230 -2.754 8.389) 16.747 1.974 ( 8.002 0.466 -2.455) 8.383 2.859 ( 4.707 8.340 -1.465) 9.688 2.982 ( -0.789 6.985 9.588) 11.889 3.437 ( 10.780 -11.446 -11.209) 19.309 4.990 ( 5.150 -0.068 -9.085) 10.443 5.517 ( 7.164 -3.401 6.058) 9.980 6.028 ( -2.576 -2.349 -2.817) 4.483 6.497 ( -2.483 3.621 0.284) 4.400 6.901 ( -2.226 -1.377 1.132) 2.852 7.315 ( -6.507 7.285 -9.139) 13.376 7.488 ( -13.018 -9.268 12.952) 20.570 8.043 ( -1.239 0.373 -1.217) 1.776 8.598 ( 11.858 -11.982 -3.520) 17.221 8.699 ( -4.657 16.699 8.514) 19.314 8.959 ( 4.868 -2.204 -11.594) 12.766 9.538 ( -1.735 -5.272 -0.094) 5.551 16.632 ( -0.170 1.024 0.891) 1.368 16.718 ( -0.054 -1.304 2.215) 2.571 17.478 ( -2.278 0.067 -3.331) 4.036 17.621 ( 0.665 -1.557 0.639) 1.809 17.707 ( -0.879 2.523 4.042) 4.845 19.097 ( 1.176 -5.459 -6.697) 8.720 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -15.029 -4.333 15.504) 22.023 1.433 ( -6.776 -3.168 13.019) 15.015 2.087 ( 6.107 0.524 -1.256) 6.257 2.896 ( -1.434 -1.501 -5.409) 5.794 3.083 ( -0.229 5.167 3.336) 6.155 3.486 ( 11.294 -2.319 -6.195) 13.089 5.021 ( 5.301 1.450 -11.008) 12.303 5.614 ( 4.389 -3.346 3.168) 6.363 5.952 ( -2.278 -3.215 -1.565) 4.240 6.468 ( -4.293 1.491 -0.032) 4.545 6.859 ( -2.123 -1.545 2.390) 3.551 7.216 ( -6.274 2.426 -4.320) 7.994 7.316 ( -8.057 -6.371 12.556) 16.222 8.024 ( -0.833 0.925 -1.152) 1.696 8.472 ( 1.324 -26.311 -14.737) 30.186 8.751 ( -4.673 10.411 4.582) 12.296 9.085 ( 8.661 8.248 -2.984) 12.327 9.515 ( 0.191 0.168 4.076) 4.084 16.669 ( 2.569 1.842 -0.132) 3.164 16.733 ( 0.319 1.148 3.109) 3.329 17.439 ( -0.891 1.192 -3.668) 3.958 17.627 ( 1.408 -2.354 1.462) 3.108 17.701 ( -4.032 1.188 2.695) 4.993 18.979 ( -0.876 -12.464 -6.803) 14.226 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -4.063 -0.094 14.802) 15.350 1.455 ( 2.579 -4.096 16.511) 17.205 2.138 ( 1.127 -1.637 -1.046) 2.245 2.757 ( -6.653 -5.487 -6.165) 10.601 3.089 ( 2.007 -3.642 -5.682) 7.041 3.677 ( 8.008 10.172 2.132) 13.121 5.058 ( 4.825 2.312 -10.946) 12.184 5.609 ( -2.050 -0.760 -4.432) 4.942 5.868 ( -3.409 -4.553 -0.050) 5.688 6.399 ( -2.134 -5.147 2.776) 6.225 6.854 ( 0.512 -0.838 4.750) 4.850 7.138 ( -3.427 -3.263 5.819) 7.500 7.239 ( -3.607 -1.575 4.473) 5.958 8.022 ( 0.092 1.085 -0.967) 1.456 8.112 ( -4.057 -22.882 -16.519) 28.512 8.804 ( -2.798 7.609 4.270) 9.163 9.268 ( 6.721 6.296 -0.939) 9.256 9.567 ( 1.609 1.617 3.319) 4.027 16.700 ( 0.254 0.175 -0.927) 0.977 16.820 ( 4.459 5.823 1.791) 7.549 17.422 ( -0.187 0.777 -3.581) 3.669 17.630 ( -1.479 -0.748 1.840) 2.476 17.660 ( -0.838 -1.663 2.640) 3.231 18.768 ( -3.331 -17.401 -6.166) 18.759 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 5.512 1.205 8.954) 10.583 1.586 ( 6.371 -5.053 12.910) 15.258 2.079 ( -4.566 -3.273 -0.833) 5.679 2.562 ( -5.346 -6.347 -2.946) 8.806 3.041 ( 2.649 -5.807 -8.352) 10.512 3.902 ( 1.792 14.545 4.698) 15.390 5.074 ( 0.685 2.664 -7.899) 8.365 5.524 ( -1.734 0.841 -9.028) 9.231 5.758 ( -4.775 -5.117 0.339) 7.007 6.372 ( 4.131 -8.965 5.801) 11.449 6.888 ( 0.649 -0.821 3.044) 3.219 7.103 ( -1.899 -3.669 7.088) 8.204 7.225 ( 1.206 -2.721 3.975) 4.966 7.785 ( -2.939 -15.503 -12.960) 20.419 8.036 ( 0.962 1.102 -0.607) 1.584 8.841 ( -2.950 5.711 2.124) 6.770 9.403 ( 4.632 3.810 0.492) 6.018 9.616 ( 0.657 2.163 0.705) 2.368 16.686 ( -1.575 0.625 -0.649) 1.815 16.958 ( 3.620 7.164 -0.778) 8.064 17.396 ( -1.026 -0.548 -2.421) 2.685 17.610 ( 0.106 -0.037 1.079) 1.085 17.683 ( 2.775 -2.210 4.072) 5.401 18.501 ( -4.186 -18.934 -5.616) 20.188 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 8.825 -1.571 3.377) 9.579 1.633 ( 0.032 -6.655 1.567) 6.837 1.948 ( -7.767 -1.439 -0.358) 7.907 2.519 ( 5.797 -4.032 6.935) 9.897 2.967 ( 1.192 -6.264 -9.084) 11.099 3.995 ( -9.090 11.867 1.402) 15.014 5.068 ( -0.840 3.653 0.789) 3.831 5.511 ( 5.720 1.775 -10.954) 12.485 5.639 ( -5.097 -3.406 1.382) 6.284 6.425 ( 7.964 -8.878 6.148) 13.418 6.872 ( -1.984 -1.030 -1.848) 2.900 7.083 ( -1.413 -2.844 4.738) 5.704 7.251 ( 3.710 -5.418 1.713) 6.787 7.624 ( 2.957 -7.512 -3.482) 8.792 8.065 ( 2.029 0.440 -0.079) 2.078 8.831 ( -4.676 4.312 -1.090) 6.453 9.493 ( 2.891 1.314 1.706) 3.605 9.633 ( -0.959 2.605 -1.484) 3.148 16.660 ( -2.184 1.140 -0.542) 2.523 17.020 ( -2.710 5.342 -1.494) 6.173 17.364 ( -0.681 -0.917 -0.401) 1.211 17.649 ( 3.721 -1.533 1.553) 4.313 17.766 ( 6.036 1.575 4.273) 7.561 18.242 ( -2.700 -16.976 -6.317) 18.313 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 6.571 -3.436 1.220) 7.515 1.544 ( 0.760 -6.651 -3.585) 7.594 1.825 ( -8.066 2.705 0.941) 8.559 2.701 ( 11.933 -2.924 9.630) 15.611 2.863 ( -0.411 -5.559 -8.802) 10.419 3.855 ( -16.588 6.191 -3.179) 17.989 5.117 ( -1.139 1.660 8.417) 8.654 5.527 ( 0.702 -2.047 -7.898) 8.190 5.644 ( 5.771 6.483 0.721) 8.709 6.506 ( 6.964 -6.986 2.609) 10.203 6.813 ( -1.496 0.422 -3.215) 3.571 7.050 ( -2.146 -2.656 2.248) 4.088 7.272 ( 4.981 -2.404 -3.035) 6.309 7.681 ( 8.847 -5.355 5.855) 11.884 8.110 ( 3.544 -0.617 0.715) 3.668 8.756 ( -7.424 3.819 -4.155) 9.325 9.538 ( 1.612 -1.461 1.642) 2.726 9.617 ( -2.627 2.596 -1.954) 4.179 16.635 ( -2.036 1.401 -0.353) 2.496 16.967 ( -6.243 1.747 -0.788) 6.531 17.358 ( 0.443 -0.199 0.906) 1.028 17.689 ( 2.002 -3.929 4.769) 6.495 17.953 ( 5.829 8.843 3.451) 11.139 18.049 ( 3.971 -13.884 -9.095) 17.066 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 3.453 -2.342 -1.157) 4.329 1.557 ( 6.600 -4.772 0.207) 8.147 1.775 ( -4.249 7.256 2.161) 8.681 2.741 ( 1.040 -7.330 -6.048) 9.560 2.916 ( 7.991 -0.346 4.571) 9.213 3.597 ( -17.105 2.513 -3.838) 17.709 5.136 ( -2.527 -1.585 9.915) 10.354 5.479 ( 0.655 -2.196 -5.975) 6.399 5.825 ( 6.299 5.825 0.718) 8.609 6.533 ( 1.553 1.525 -2.982) 3.691 6.847 ( 4.401 2.411 1.891) 5.363 6.998 ( -2.894 -1.390 0.662) 3.278 7.340 ( 7.249 0.422 -4.623) 8.608 7.826 ( 9.411 -4.743 7.245) 12.789 8.180 ( 6.011 -2.120 1.837) 6.634 8.625 ( -9.523 3.824 -5.590) 11.686 9.523 ( -1.552 -3.528 -0.496) 3.886 9.589 ( -1.972 1.484 0.121) 2.471 16.619 ( -1.312 1.456 -0.153) 1.966 16.871 ( -5.432 -0.737 -0.130) 5.483 17.378 ( 1.096 -0.007 0.869) 1.399 17.697 ( 0.248 -4.129 5.140) 6.597 17.905 ( -1.123 -4.163 -5.649) 7.107 18.234 ( 12.777 7.775 -0.047) 14.956 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 4.528 -0.537 -3.542) 5.774 1.661 ( 7.898 -0.245 6.645) 10.325 1.829 ( -0.135 7.795 -0.805) 7.837 2.702 ( 4.204 -3.680 -1.854) 5.887 2.991 ( 0.433 -0.841 -1.001) 1.377 3.335 ( -14.493 -1.369 -0.299) 14.561 5.144 ( -0.586 -1.850 7.862) 8.098 5.424 ( 0.080 -4.204 -6.360) 7.624 5.909 ( 2.342 -0.368 -1.814) 2.985 6.607 ( 1.018 9.617 1.580) 9.799 6.927 ( 0.162 -3.934 0.293) 3.949 7.007 ( 2.930 11.210 2.183) 11.791 7.447 ( 8.410 1.664 -5.975) 10.450 7.952 ( 5.729 -2.465 4.863) 7.909 8.275 ( 4.700 0.228 0.733) 4.762 8.483 ( -5.812 -0.229 -2.462) 6.316 9.428 ( -5.629 -3.552 0.196) 6.659 9.582 ( 0.678 -1.068 0.034) 1.266 16.619 ( -0.372 1.491 -0.177) 1.546 16.794 ( -2.557 -1.749 0.290) 3.111 17.391 ( 0.830 -0.745 -0.720) 1.327 17.687 ( -0.506 -2.127 2.765) 3.525 17.843 ( -0.544 -2.061 -2.403) 3.212 18.508 ( 10.565 10.415 0.257) 14.838 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 6.020 3.347 -1.188) 6.989 1.811 ( 4.097 -2.077 0.821) 4.666 1.909 ( 5.626 7.833 -0.731) 9.672 2.746 ( -2.943 4.046 -0.038) 5.003 2.957 ( 2.192 -3.559 0.705) 4.239 3.114 ( -10.287 -4.434 3.717) 11.802 5.153 ( 1.358 -4.632 -0.987) 4.927 5.340 ( -0.971 -3.988 -3.226) 5.221 5.934 ( 2.655 1.103 -0.882) 3.007 6.679 ( -2.917 3.165 2.575) 5.015 6.908 ( 1.106 -0.676 1.083) 1.689 7.220 ( 3.796 17.684 4.138) 18.554 7.554 ( 7.840 2.206 -9.722) 12.683 8.017 ( 1.750 -0.325 1.804) 2.534 8.269 ( -10.065 12.043 -2.785) 15.940 8.474 ( 8.871 -11.906 4.545) 15.527 9.294 ( -7.158 -3.904 1.742) 8.337 9.596 ( 3.565 -2.644 -0.447) 4.461 16.626 ( -0.310 1.227 -0.619) 1.409 16.768 ( 0.987 -1.885 0.770) 2.263 17.389 ( 0.698 -0.211 -1.534) 1.699 17.677 ( -0.646 -0.661 0.934) 1.314 17.806 ( -1.600 -1.676 0.025) 2.317 18.755 ( 7.826 10.942 -0.358) 13.457 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 5.877 5.076 0.647) 7.793 1.810 ( 2.868 -2.948 -5.006) 6.479 2.061 ( 3.430 4.847 -3.165) 6.728 2.661 ( -11.172 9.115 2.214) 14.587 2.857 ( -9.945 -9.884 9.846) 17.133 3.154 ( 12.251 -0.574 1.679) 12.379 5.069 ( 1.122 -8.602 -9.476) 12.847 5.318 ( 1.016 -0.964 1.465) 2.027 6.011 ( 3.498 3.933 0.840) 5.330 6.617 ( -5.066 -1.902 0.338) 5.422 6.942 ( 1.160 0.283 1.848) 2.200 7.453 ( -2.441 14.319 12.014) 18.850 7.632 ( 9.635 7.026 -20.196) 23.454 8.035 ( 0.527 0.867 -0.742) 1.257 8.225 ( -8.763 9.867 4.845) 14.058 8.509 ( 3.604 -7.226 2.682) 8.509 9.164 ( -5.205 -4.356 1.842) 7.032 9.639 ( 6.259 -4.885 -0.948) 7.996 16.624 ( -0.326 0.728 -0.815) 1.140 16.783 ( 2.067 -2.375 0.601) 3.206 17.412 ( 2.004 2.167 0.276) 2.964 17.663 ( -0.740 -0.532 0.071) 0.914 17.751 ( -3.196 -2.345 0.083) 3.965 18.948 ( 5.124 9.689 -1.828) 11.112 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -11.416 -4.763 2.895) 12.704 1.794 ( -12.045 -4.456 2.848) 13.155 1.856 ( 5.927 3.768 1.791) 7.248 2.802 ( 6.047 4.847 -4.462) 8.942 3.056 ( 0.866 -4.411 -3.239) 5.541 3.206 ( 5.543 -0.600 3.985) 6.853 4.904 ( 2.110 2.210 -1.521) 3.413 5.411 ( 6.039 -2.658 4.568) 8.025 6.025 ( -2.766 -3.157 -3.908) 5.735 6.568 ( -0.652 4.745 0.751) 4.849 6.924 ( -1.850 -1.611 0.614) 2.529 7.442 ( -7.502 8.173 -11.936) 16.296 7.684 ( -11.566 -6.383 11.023) 17.205 8.032 ( 1.480 -2.188 -2.512) 3.645 8.269 ( 8.163 -9.870 -8.379) 15.306 8.774 ( 2.306 -5.993 -11.028) 12.761 9.016 ( -4.405 16.138 8.897) 18.947 9.494 ( 2.551 -4.774 3.701) 6.557 16.661 ( -1.029 1.770 1.175) 2.361 16.713 ( 0.554 -1.555 1.996) 2.590 17.482 ( -1.164 -1.821 -2.679) 3.442 17.607 ( -0.836 -1.270 -0.109) 1.524 17.749 ( 1.345 2.793 3.596) 4.748 19.008 ( -1.528 -4.277 -9.656) 10.671 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -13.603 -3.307 8.423) 16.338 1.594 ( -9.985 -5.078 7.489) 13.474 2.002 ( 5.819 2.913 3.019) 7.174 2.857 ( 1.102 -2.249 -7.072) 7.503 2.978 ( 3.944 -7.908 -8.745) 12.433 3.387 ( 8.301 8.061 4.585) 12.447 4.940 ( 1.460 3.348 -3.711) 5.207 5.517 ( 6.185 -3.795 5.945) 9.381 5.942 ( -1.636 -2.873 -2.810) 4.338 6.572 ( -4.625 4.788 -2.114) 6.985 6.884 ( -1.640 -2.015 1.582) 3.042 7.317 ( -7.486 5.158 -11.009) 14.278 7.494 ( -12.151 -8.039 15.494) 21.268 8.006 ( 1.993 -6.967 -4.045) 8.299 8.156 ( 0.543 -14.026 -11.510) 18.152 8.775 ( 6.086 0.959 -7.032) 9.349 9.144 ( -1.363 12.789 5.458) 13.972 9.526 ( 1.557 -0.687 4.939) 5.224 16.657 ( 0.064 0.376 -0.626) 0.733 16.755 ( 1.425 1.800 4.534) 5.082 17.444 ( -0.818 -0.040 -2.550) 2.678 17.590 ( 0.543 -2.018 0.420) 2.132 17.779 ( -2.168 1.225 2.424) 3.475 18.851 ( -2.607 -10.207 -10.056) 14.564 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -10.579 -0.088 11.668) 15.750 1.497 ( -2.752 -5.027 11.607) 12.944 2.102 ( 2.486 -0.121 2.539) 3.556 2.750 ( -2.188 -7.032 -7.813) 10.737 2.918 ( 2.462 -6.720 -8.141) 10.840 3.654 ( 11.287 11.705 0.582) 16.271 4.982 ( 2.236 4.017 -3.058) 5.521 5.581 ( 2.197 -3.248 2.957) 4.911 5.879 ( -2.136 -2.378 -1.884) 3.711 6.466 ( -8.762 -0.514 -3.597) 9.485 6.867 ( -0.116 -1.347 3.766) 4.001 7.194 ( -4.691 -1.005 -2.238) 5.294 7.349 ( -8.271 -5.006 11.197) 14.793 7.841 ( 0.461 -19.025 -13.887) 23.559 8.048 ( -1.672 1.102 -2.081) 2.888 8.852 ( 4.041 2.010 -1.758) 4.844 9.268 ( 1.727 9.092 1.397) 9.359 9.582 ( 1.366 1.481 4.342) 4.786 16.671 ( 1.882 0.176 -1.610) 2.483 16.837 ( 2.297 4.692 3.896) 6.517 17.421 ( -0.781 0.689 -2.542) 2.747 17.594 ( 1.904 -2.848 2.469) 4.223 17.739 ( -4.915 0.604 1.597) 5.203 18.628 ( -3.735 -14.897 -9.001) 17.802 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -4.362 0.688 9.912) 10.851 1.536 ( 3.294 -4.601 12.680) 13.885 2.104 ( -1.354 -2.973 1.202) 3.481 2.577 ( -6.313 -6.394 -4.725) 10.152 2.866 ( 4.318 -5.541 -8.165) 10.771 3.945 ( 10.711 12.858 -2.383) 16.904 5.046 ( 2.024 3.984 -0.165) 4.472 5.550 ( -4.186 0.162 -3.263) 5.310 5.793 ( -4.248 -3.477 -0.911) 5.565 6.304 ( -3.445 -8.014 1.551) 8.860 6.890 ( 0.719 -0.993 3.850) 4.041 7.129 ( -1.606 -3.401 2.946) 4.778 7.258 ( -4.848 -3.081 6.291) 8.519 7.614 ( -0.642 -11.618 -11.253) 16.187 8.039 ( -0.338 1.330 -0.692) 1.537 8.906 ( 0.730 1.921 0.740) 2.184 9.376 ( 3.063 5.551 -0.985) 6.417 9.637 ( 0.739 2.094 2.631) 3.443 16.690 ( 1.027 0.143 -1.259) 1.631 16.959 ( 4.230 7.410 -0.127) 8.533 17.398 ( -1.015 0.328 -2.263) 2.501 17.629 ( 3.162 -3.743 6.219) 7.917 17.668 ( -5.292 0.774 1.426) 5.535 18.368 ( -4.287 -16.337 -7.241) 18.377 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 1.552 -2.256 6.082) 6.670 1.597 ( 0.342 -5.387 7.082) 8.904 2.035 ( -4.105 -1.738 -1.042) 4.577 2.452 ( 0.740 -4.672 2.129) 5.187 2.844 ( 2.154 -2.723 -5.971) 6.907 4.151 ( 2.487 10.485 -6.640) 12.658 5.115 ( 0.781 3.346 5.727) 6.679 5.450 ( -3.775 2.582 -7.674) 8.934 5.690 ( -3.697 -3.273 0.229) 4.943 6.263 ( 5.230 -10.107 7.006) 13.364 6.886 ( -1.578 -1.383 -0.431) 2.143 7.097 ( -0.857 -3.268 2.434) 4.164 7.209 ( -1.574 -2.620 3.419) 4.586 7.511 ( 2.288 -4.149 -2.616) 5.413 8.049 ( 0.635 0.736 -0.173) 0.987 8.915 ( -2.321 1.849 0.230) 2.976 9.454 ( 2.972 2.364 -1.502) 4.084 9.667 ( -0.477 1.686 0.633) 1.863 16.690 ( -0.634 0.651 -0.640) 1.112 17.076 ( 1.945 7.535 -4.275) 8.879 17.374 ( -1.032 0.501 -1.052) 1.557 17.618 ( -1.412 0.014 0.571) 1.523 17.699 ( 4.514 -5.226 10.797) 12.816 18.133 ( -3.528 -11.536 -5.528) 13.270 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 6.335 -3.927 4.762) 8.845 1.501 ( -5.033 -7.932 -0.817) 9.430 1.957 ( -4.445 2.188 -2.037) 5.357 2.550 ( 9.600 -2.180 7.622) 12.450 2.808 ( -1.316 -0.115 -3.537) 3.776 4.098 ( -10.645 4.446 -10.113) 15.342 5.198 ( -0.782 0.798 12.214) 12.265 5.426 ( 2.664 3.097 -9.402) 10.251 5.652 ( 1.279 1.640 0.643) 2.177 6.340 ( 8.642 -7.716 8.371) 14.293 6.824 ( -2.398 -0.429 -3.930) 4.623 7.063 ( -1.140 -2.344 0.095) 2.609 7.206 ( 1.105 -0.201 2.128) 2.406 7.564 ( 5.732 -1.707 5.423) 8.074 8.071 ( 1.632 0.029 0.375) 1.674 8.869 ( -5.158 2.412 -2.127) 6.078 9.496 ( 1.991 -0.503 -0.789) 2.200 9.658 ( -1.607 0.331 -1.358) 2.130 16.677 ( -1.644 1.224 -0.305) 2.073 17.072 ( -5.098 2.696 -4.460) 7.291 17.368 ( -0.472 1.042 0.702) 1.342 17.635 ( 3.012 -1.609 1.398) 3.690 17.779 ( 6.784 -10.189 4.727) 13.122 18.035 ( -0.280 4.319 0.988) 4.439 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -0.249 -7.578 -3.993) 8.569 1.385 ( 8.911 -3.828 5.792) 11.297 1.913 ( -3.766 5.580 -2.597) 7.215 2.680 ( 1.011 -1.747 3.705) 4.219 2.824 ( 5.205 2.731 2.149) 6.259 3.844 ( -15.287 0.671 -9.801) 18.172 5.216 ( -3.365 -3.176 11.042) 11.973 5.423 ( 0.186 0.090 -5.399) 5.403 5.768 ( 6.768 4.413 -1.704) 8.257 6.484 ( 8.221 1.037 5.534) 9.964 6.794 ( 1.953 -0.055 -2.115) 2.879 7.024 ( -1.211 -0.667 -1.537) 2.067 7.268 ( 3.286 3.071 3.000) 5.406 7.697 ( 7.384 -1.770 8.491) 11.391 8.107 ( 2.915 -0.806 1.195) 3.252 8.774 ( -7.709 3.982 -4.639) 9.839 9.497 ( 0.337 -3.064 0.382) 3.106 9.610 ( -1.854 -1.525 -3.067) 3.895 16.660 ( -1.877 1.526 -0.127) 2.423 16.949 ( -6.671 -2.151 -2.966) 7.611 17.380 ( -0.151 1.084 0.937) 1.441 17.670 ( 1.910 -4.426 5.352) 7.203 17.780 ( 4.725 -5.274 -5.457) 8.940 18.210 ( 6.501 12.467 7.060) 15.733 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 6.351 -4.846 -6.063) 10.029 1.547 ( 10.250 -2.266 7.997) 13.196 1.901 ( -2.239 5.418 -5.241) 7.864 2.691 ( -1.579 4.129 6.342) 7.731 2.944 ( 4.267 0.365 0.944) 4.385 3.547 ( -14.703 -1.486 -7.381) 16.519 5.176 ( -3.017 -4.949 6.025) 8.360 5.386 ( -1.493 -1.098 -1.198) 2.207 5.856 ( 3.147 1.196 -3.013) 4.518 6.664 ( 4.843 8.053 2.154) 9.641 6.845 ( 4.877 -3.532 -0.024) 6.021 7.022 ( 3.142 5.003 -5.559) 8.112 7.403 ( 3.848 7.241 7.333) 11.001 7.850 ( 7.444 -2.000 8.374) 11.382 8.167 ( 5.014 -2.101 2.695) 6.068 8.652 ( -9.665 6.623 -5.737) 13.046 9.453 ( -1.948 -4.969 1.272) 5.487 9.545 ( -0.603 -3.537 -4.026) 5.393 16.647 ( -1.359 1.621 -0.165) 2.121 16.817 ( -4.084 -3.852 -2.106) 5.996 17.386 ( -0.483 0.959 -0.064) 1.076 17.678 ( 0.699 -3.798 4.328) 5.801 17.790 ( 2.961 -1.144 -3.180) 4.493 18.489 ( 7.959 13.611 5.546) 16.714 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 10.666 -0.432 -6.826) 12.670 1.748 ( 7.375 0.428 7.830) 10.765 1.869 ( 0.959 1.785 -7.500) 7.769 2.807 ( 2.613 7.978 10.072) 13.112 2.955 ( -2.163 -0.574 -1.936) 2.959 3.275 ( -12.429 -3.807 -2.977) 13.335 5.089 ( -2.728 -6.731 -2.231) 7.598 5.350 ( -2.361 -1.026 3.041) 3.984 5.902 ( 2.925 2.766 -1.071) 4.166 6.751 ( -1.886 -0.336 2.256) 2.960 6.867 ( 3.220 -0.442 0.025) 3.250 7.170 ( 11.782 9.820 -13.760) 20.605 7.583 ( 0.409 10.928 10.893) 15.435 7.978 ( 4.805 -1.058 5.521) 7.395 8.260 ( 7.742 -5.375 4.557) 10.469 8.543 ( -10.087 11.527 -3.319) 15.672 9.358 ( -4.575 -5.898 1.660) 7.647 9.490 ( 2.291 -5.768 -4.135) 7.457 16.643 ( -0.805 1.549 -0.988) 2.006 16.737 ( -0.354 -3.461 -0.888) 3.590 17.389 ( -0.381 1.946 -0.179) 1.991 17.675 ( 0.102 -2.321 2.013) 3.074 17.800 ( 0.545 -1.297 -0.605) 1.531 18.755 ( 6.684 12.723 2.800) 14.642 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 12.224 3.051 -5.804) 13.871 1.744 ( -2.000 -0.816 -5.192) 5.623 2.000 ( 8.043 2.775 1.156) 8.586 2.876 ( -5.321 0.292 0.607) 5.364 2.965 ( -2.991 1.146 8.930) 9.488 3.078 ( -2.453 -0.428 0.960) 2.669 4.956 ( -2.391 -6.854 -5.425) 9.063 5.328 ( -1.547 -0.772 2.935) 3.406 5.996 ( 4.072 4.851 0.837) 6.388 6.669 ( -4.551 -4.402 0.038) 6.332 6.928 ( 2.270 0.908 1.470) 2.852 7.377 ( 14.197 8.782 -18.174) 24.677 7.710 ( -4.603 10.826 9.380) 15.045 8.038 ( 0.716 0.731 1.049) 1.466 8.310 ( 3.547 -9.114 1.866) 9.956 8.563 ( -4.724 17.524 6.032) 19.126 9.223 ( -5.901 -6.533 0.937) 8.853 9.468 ( 5.388 -7.889 -3.161) 10.063 16.633 ( -0.668 0.746 -1.537) 1.835 16.729 ( 2.146 -1.964 0.085) 2.910 17.421 ( 0.926 3.788 1.293) 4.108 17.660 ( -0.377 -1.768 -0.241) 1.824 17.770 ( -1.820 -2.677 0.320) 3.253 18.957 ( 4.362 10.215 -0.630) 11.125 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -1.394 -2.767 -4.142) 5.173 1.833 ( -0.992 -1.132 5.189) 5.403 1.976 ( -7.287 4.379 -2.285) 8.803 2.701 ( 6.787 1.529 -6.513) 9.530 2.977 ( -4.789 -7.914 -3.823) 10.009 3.157 ( 7.076 -1.122 8.189) 10.881 4.957 ( -1.898 6.451 5.807) 8.885 5.339 ( 3.299 -1.259 3.076) 4.683 6.016 ( -3.069 -3.344 -4.868) 6.656 6.604 ( 1.815 3.636 1.468) 4.321 6.935 ( -1.267 -1.846 -0.259) 2.254 7.498 ( 0.965 3.838 -16.786) 17.246 7.850 ( -7.239 -2.428 8.512) 11.434 7.915 ( -0.396 -5.072 -9.278) 10.581 8.149 ( -0.178 1.449 -3.690) 3.969 8.623 ( 0.377 -10.590 -5.125) 11.771 9.241 ( -1.960 7.483 6.885) 10.355 9.437 ( 2.714 0.566 4.404) 5.204 16.694 ( 0.442 -2.005 0.521) 2.118 16.707 ( -0.521 2.677 2.461) 3.674 17.457 ( -0.594 -3.036 -1.583) 3.475 17.621 ( -1.738 -0.303 -0.993) 2.024 17.760 ( 2.686 2.610 3.117) 4.873 18.958 ( -3.807 -2.946 -11.125) 12.122 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -6.370 -2.515 1.223) 6.957 1.715 ( -8.084 -6.480 1.617) 10.485 2.008 ( 1.651 4.698 4.470) 6.691 2.723 ( -0.344 -7.060 -9.611) 11.930 2.876 ( 3.014 1.610 -3.381) 4.807 3.319 ( 8.597 0.896 4.584) 9.784 4.993 ( -2.817 5.355 2.245) 6.454 5.432 ( 5.505 -1.305 6.618) 8.706 5.924 ( -1.683 -2.276 -3.780) 4.723 6.650 ( -1.164 3.797 -1.989) 4.442 6.894 ( -1.281 -2.102 0.578) 2.529 7.389 ( -4.698 0.312 -15.100) 15.817 7.716 ( -12.174 -6.816 14.681) 20.253 7.788 ( 0.329 -9.109 -12.082) 15.134 8.118 ( -2.572 1.550 -3.077) 4.300 8.605 ( 8.324 -2.042 -6.270) 10.620 9.305 ( -1.996 6.445 4.833) 8.299 9.515 ( 2.738 0.986 4.685) 5.516 16.659 ( -1.135 -1.033 -1.121) 1.900 16.772 ( 1.981 1.770 5.023) 5.682 17.427 ( 0.237 -1.854 -0.673) 1.987 17.591 ( -1.405 0.722 -1.032) 1.887 17.817 ( 0.337 1.030 2.317) 2.558 18.770 ( -5.407 -7.026 -11.783) 14.746 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -8.356 0.588 5.448) 9.992 1.567 ( -4.916 -5.723 6.413) 9.901 2.071 ( 2.201 -3.127 0.950) 3.940 2.614 ( 1.469 -4.184 -5.668) 7.196 2.884 ( -2.810 -0.438 -3.350) 4.394 3.521 ( 13.098 5.010 -2.702) 14.282 5.018 ( -0.811 4.277 2.789) 5.170 5.536 ( 3.638 -1.587 7.059) 8.098 5.872 ( -1.050 -0.967 -3.421) 3.707 6.579 ( -7.822 0.742 -7.349) 10.758 6.875 ( -0.197 -1.204 2.708) 2.970 7.220 ( -3.922 -4.809 -8.091) 10.196 7.538 ( -12.033 -7.202 15.451) 20.866 7.631 ( -1.576 -6.675 -12.303) 14.086 8.081 ( -2.173 1.913 -1.809) 3.414 8.727 ( 9.842 0.940 -4.187) 10.737 9.356 ( -1.237 5.765 2.416) 6.372 9.592 ( 2.223 1.421 3.823) 4.645 16.640 ( 0.622 -0.377 -1.526) 1.690 16.855 ( 2.803 2.162 4.221) 5.509 17.413 ( 0.230 -1.548 -0.668) 1.702 17.582 ( -0.548 0.770 1.258) 1.574 17.821 ( -2.513 1.536 1.994) 3.557 18.529 ( -6.358 -10.483 -10.621) 16.221 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -8.486 0.527 6.111) 10.471 1.545 ( 0.224 -2.365 10.901) 11.157 2.044 ( 2.796 -8.116 -2.330) 8.894 2.589 ( -3.327 -1.416 -1.904) 4.087 2.783 ( -2.133 -0.575 -3.481) 4.123 3.785 ( 15.783 7.078 -7.451) 18.834 5.081 ( 1.023 3.396 5.624) 6.649 5.593 ( -0.077 -0.013 5.276) 5.276 5.808 ( -2.949 -2.466 -4.414) 5.853 6.355 ( -10.956 -3.625 -6.491) 13.240 6.890 ( 0.620 -1.124 3.470) 3.700 7.116 ( -0.456 -4.665 -1.413) 4.896 7.389 ( -9.329 -5.154 11.830) 15.923 7.495 ( -1.585 -2.628 -9.090) 9.594 8.062 ( -1.332 1.564 -0.872) 2.232 8.857 ( 6.674 0.801 -0.754) 6.764 9.400 ( -0.075 4.824 -0.327) 4.836 9.652 ( 1.414 1.275 2.227) 2.930 16.653 ( 2.094 0.068 -1.607) 2.641 16.948 ( 3.941 3.444 0.305) 5.243 17.396 ( -0.078 -1.302 -0.827) 1.544 17.599 ( 0.728 -1.765 4.962) 5.317 17.802 ( -5.348 5.084 3.605) 8.212 18.267 ( -5.925 -12.337 -8.396) 16.056 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -5.998 -1.022 5.152) 7.973 1.612 ( 0.107 -1.943 11.199) 11.367 2.001 ( 1.986 -5.849 -4.512) 7.649 2.444 ( -4.911 -4.158 -1.303) 6.565 2.813 ( 1.162 4.808 0.796) 5.011 4.032 ( 13.214 5.579 -11.986) 18.692 5.168 ( 1.614 1.899 8.683) 9.034 5.578 ( -8.058 4.896 1.248) 9.511 5.686 ( -2.419 -5.713 -4.217) 7.501 6.185 ( -2.231 -4.902 2.092) 5.777 6.889 ( -0.930 -1.753 -0.014) 1.985 7.080 ( 0.129 -2.545 -0.532) 2.603 7.283 ( -6.150 -3.476 8.869) 11.339 7.451 ( 1.292 1.081 -1.919) 2.554 8.055 ( -0.545 0.964 -0.202) 1.125 8.933 ( 1.909 0.078 1.309) 2.316 9.438 ( 0.987 3.359 -2.125) 4.095 9.680 ( 0.272 0.196 0.133) 0.360 16.680 ( 1.732 0.197 -0.947) 1.984 17.042 ( 4.881 4.249 -5.629) 8.576 17.384 ( -0.116 0.143 -0.454) 0.490 17.618 ( 1.249 -4.447 5.321) 7.046 17.778 ( -8.542 3.448 9.164) 12.994 18.061 ( -1.452 -6.629 -5.124) 8.504 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -0.826 -2.766 5.531) 6.239 1.546 ( -8.568 -7.598 3.609) 12.007 1.964 ( 1.334 -0.186 -5.680) 5.837 2.451 ( 6.309 0.003 5.281) 8.228 2.870 ( -2.220 6.646 2.983) 7.615 4.108 ( 2.317 -0.311 -16.571) 16.735 5.279 ( 2.993 1.074 12.243) 12.649 5.471 ( -8.661 5.458 -1.011) 10.287 5.623 ( 0.778 -1.129 -3.596) 3.848 6.208 ( 5.910 -4.849 8.495) 11.429 6.833 ( -2.369 -1.104 -3.929) 4.719 7.053 ( -0.699 -1.550 -1.335) 2.162 7.241 ( -1.994 -1.057 7.019) 7.373 7.527 ( 3.751 3.629 5.144) 7.328 8.060 ( 0.294 0.287 0.374) 0.555 8.934 ( -2.152 -0.022 0.241) 2.166 9.467 ( 1.173 1.049 -1.566) 2.220 9.662 ( -1.080 -1.494 -2.325) 2.967 16.696 ( 0.296 0.489 -0.343) 0.667 17.085 ( 1.179 1.319 -8.827) 9.002 17.394 ( -0.024 2.386 0.074) 2.387 17.618 ( -0.035 -1.148 0.853) 1.430 17.690 ( -3.533 -8.872 9.648) 13.575 18.088 ( 2.517 7.885 4.842) 9.589 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 3.522 -8.720 7.562) 12.067 1.335 ( -5.306 -6.899 -3.085) 9.234 1.965 ( -0.467 4.310 -4.298) 6.104 2.635 ( 8.746 2.565 6.463) 11.173 2.904 ( -4.541 8.428 4.786) 10.703 3.931 ( -7.147 -5.202 -17.208) 19.346 5.350 ( -6.470 -2.166 16.591) 17.939 5.421 ( -1.404 5.096 -5.146) 7.377 5.671 ( 7.019 3.256 -4.295) 8.850 6.360 ( 10.511 -2.513 9.672) 14.503 6.772 ( -1.026 0.105 -4.428) 4.546 7.017 ( -0.808 -1.098 -2.089) 2.494 7.286 ( 2.294 1.739 7.017) 7.585 7.677 ( 3.871 6.216 8.819) 11.463 8.075 ( 1.331 -0.402 1.018) 1.724 8.876 ( -4.450 1.148 -2.757) 5.360 9.470 ( 0.175 -2.421 0.430) 2.465 9.595 ( -1.974 -2.752 -4.697) 5.790 16.695 ( -0.918 0.908 -0.296) 1.325 16.991 ( -4.992 -3.726 -6.443) 8.962 17.417 ( -1.097 3.253 0.845) 3.536 17.627 ( 1.926 -0.898 1.023) 2.359 17.658 ( 2.867 -6.005 3.757) 7.642 18.290 ( 4.660 12.967 9.356) 16.655 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 1.778 -10.773 -1.823) 11.070 1.380 ( 11.231 -4.247 4.754) 12.914 1.963 ( -3.231 5.661 -3.794) 7.542 2.802 ( 3.588 4.243 5.490) 7.811 2.954 ( -2.836 8.940 5.417) 10.831 3.641 ( -9.450 -6.871 -15.438) 19.361 5.271 ( -8.991 -1.170 7.270) 11.621 5.417 ( -1.501 0.158 2.671) 3.068 5.791 ( 5.488 3.560 -3.713) 7.522 6.580 ( 11.821 0.197 4.372) 12.605 6.762 ( 2.128 0.431 -2.924) 3.642 6.989 ( 0.182 0.436 -3.833) 3.862 7.432 ( 6.953 3.048 10.211) 12.724 7.851 ( 1.942 8.813 9.525) 13.121 8.111 ( 2.747 -0.381 2.250) 3.571 8.796 ( -5.257 4.098 -5.148) 8.422 9.420 ( -1.220 -7.556 0.366) 7.663 9.510 ( -1.952 -2.279 -4.484) 5.395 16.682 ( -1.398 1.147 -0.630) 1.915 16.830 ( -5.200 -5.379 -3.556) 8.284 17.426 ( -1.809 3.070 0.614) 3.616 17.648 ( 1.582 -4.394 5.084) 6.903 17.704 ( 4.811 0.063 -2.351) 5.355 18.554 ( 5.589 14.382 8.350) 17.544 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 10.969 -5.190 -6.661) 13.843 1.602 ( 14.915 -2.098 7.826) 16.973 1.910 ( -6.328 3.938 -3.167) 8.098 2.897 ( 0.974 3.494 1.389) 3.884 3.023 ( -3.048 8.599 6.921) 11.451 3.350 ( -8.481 -7.275 -11.813) 16.260 5.137 ( -9.117 -1.867 2.080) 9.536 5.406 ( -2.351 -1.191 5.459) 6.062 5.876 ( 3.498 4.192 -1.437) 5.645 6.716 ( 4.207 -5.390 0.922) 6.900 6.820 ( 4.563 3.628 -1.358) 5.985 7.012 ( 5.809 4.649 -10.158) 12.591 7.655 ( 9.053 1.367 11.962) 15.064 7.984 ( -0.151 6.406 6.245) 8.947 8.187 ( 2.525 2.649 3.999) 5.420 8.750 ( -4.364 9.855 -3.570) 11.354 9.308 ( -0.937 -11.391 -1.464) 11.523 9.438 ( -2.367 -2.375 -2.078) 3.945 16.665 ( -1.236 0.854 -1.993) 2.496 16.712 ( -1.932 -4.046 -0.687) 4.536 17.431 ( -1.410 3.494 0.616) 3.818 17.656 ( 0.801 -3.560 3.384) 4.976 17.756 ( 2.958 -0.782 -1.675) 3.488 18.806 ( 4.786 13.108 4.835) 14.768 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 15.992 1.109 -9.204) 18.485 1.816 ( -7.385 3.280 -0.823) 8.123 1.870 ( 13.021 0.378 6.693) 14.645 2.897 ( -1.337 -0.869 -2.241) 2.751 3.052 ( -3.390 -6.188 -3.305) 7.792 3.161 ( -5.056 6.304 3.740) 8.905 4.986 ( -8.223 -1.466 0.819) 8.393 5.379 ( -3.052 -1.328 4.558) 5.644 5.979 ( 4.243 5.181 0.418) 6.710 6.670 ( -1.772 -6.550 -0.116) 6.787 6.907 ( 2.815 1.514 1.437) 3.504 7.141 ( 11.825 7.928 -16.792) 22.015 7.840 ( 5.137 0.314 8.665) 10.078 8.044 ( 0.144 1.734 2.535) 3.075 8.236 ( -1.459 2.248 -0.068) 2.681 8.825 ( -1.498 15.901 3.896) 16.440 9.170 ( -0.950 -14.199 -0.686) 14.247 9.373 ( -1.669 -1.866 -1.364) 2.851 16.637 ( -0.459 -0.099 -1.898) 1.955 16.689 ( 1.004 -1.081 0.427) 1.536 17.461 ( 0.010 4.468 1.664) 4.768 17.644 ( -0.207 -2.798 0.545) 2.858 17.757 ( 0.258 -2.858 -0.566) 2.924 18.990 ( 2.943 9.940 0.223) 10.369 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 4.889 1.100 -10.243) 11.403 1.866 ( -1.561 -4.138 0.218) 4.428 2.048 ( -1.483 1.281 -8.290) 8.519 2.591 ( 3.400 3.147 -1.569) 4.891 2.976 ( 5.202 -8.045 13.076) 16.210 3.123 ( -7.573 0.008 -1.017) 7.641 5.123 ( -4.228 8.215 8.852) 12.795 5.323 ( -0.008 -0.039 2.560) 2.560 6.007 ( -3.148 -2.987 -5.374) 6.907 6.598 ( 3.188 1.830 2.186) 4.277 6.924 ( -0.363 -2.309 -2.109) 3.148 7.292 ( 8.718 -3.620 -17.256) 19.669 7.857 ( 1.564 1.384 -10.882) 11.080 8.006 ( -8.404 2.463 1.582) 8.899 8.176 ( -1.189 4.297 -3.040) 5.397 8.532 ( -2.592 -12.210 4.612) 13.307 9.245 ( 4.551 -3.914 7.307) 9.457 9.526 ( -3.841 7.871 0.052) 8.759 16.667 ( 1.037 -1.829 0.738) 2.228 16.753 ( -0.565 2.288 1.805) 2.969 17.441 ( -1.422 -2.108 -0.575) 2.607 17.632 ( -0.628 -0.388 -1.161) 1.376 17.750 ( 3.121 2.029 2.134) 4.290 18.948 ( -5.235 -1.225 -10.548) 11.839 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 1.013 -2.678 -5.445) 6.152 1.762 ( -5.556 -5.580 -2.407) 8.234 2.005 ( 1.760 -0.852 -5.696) 6.022 2.704 ( 0.519 6.699 0.281) 6.724 2.862 ( -5.415 -1.894 -0.199) 5.741 3.207 ( 8.219 -3.361 7.885) 11.875 5.116 ( -5.388 2.356 2.475) 6.380 5.410 ( 3.372 3.643 7.793) 9.240 5.913 ( -2.005 -1.304 -4.894) 5.447 6.657 ( 1.351 0.642 -0.837) 1.714 6.887 ( 0.078 -1.725 -1.593) 2.349 7.237 ( 4.024 -9.635 -14.497) 17.866 7.778 ( -7.028 4.391 -10.841) 13.645 7.913 ( -7.330 -0.747 6.788) 10.018 8.195 ( -3.222 6.398 -2.324) 7.531 8.439 ( 2.948 -6.933 0.764) 7.572 9.335 ( 4.551 -1.692 6.017) 7.731 9.541 ( -0.849 3.810 0.305) 3.915 16.656 ( -0.503 -1.597 -0.556) 1.765 16.780 ( 1.123 0.162 3.363) 3.549 17.412 ( -0.630 -0.992 0.014) 1.176 17.621 ( -1.010 1.946 -0.606) 2.274 17.814 ( 2.252 0.495 1.325) 2.659 18.763 ( -7.619 -2.948 -10.753) 13.504 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 1.996 -1.028 -0.466) 2.293 1.598 ( -6.714 -4.690 0.084) 8.191 1.977 ( 1.090 -6.745 -3.952) 7.894 2.657 ( -6.417 5.450 2.111) 8.679 2.897 ( 1.155 2.452 -1.960) 3.345 3.346 ( 9.581 -0.652 1.233) 9.682 5.078 ( -1.596 -0.150 2.954) 3.361 5.533 ( 2.340 2.195 7.871) 8.500 5.859 ( -0.994 0.111 -5.450) 5.541 6.625 ( -3.006 -1.036 -5.072) 5.986 6.885 ( 0.099 0.479 0.827) 0.961 7.111 ( 1.267 -10.162 -8.030) 13.014 7.626 ( -8.301 2.885 -8.768) 12.414 7.797 ( -12.329 -1.700 10.786) 16.469 8.147 ( -5.279 3.579 -1.371) 6.524 8.534 ( 11.630 -0.044 -3.154) 12.050 9.410 ( 1.329 1.552 3.302) 3.883 9.578 ( 2.418 0.715 1.128) 2.762 16.628 ( -0.624 -0.835 -0.984) 1.433 16.831 ( 3.296 -1.057 3.051) 4.614 17.393 ( -0.343 -1.459 -0.554) 1.598 17.626 ( -1.451 2.465 1.369) 3.171 17.856 ( 1.400 1.494 1.292) 2.421 18.535 ( -9.870 -3.765 -8.956) 13.849 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -4.759 -2.672 2.832) 6.149 1.594 ( 0.750 2.940 4.356) 5.308 1.890 ( 1.403 -9.416 -1.811) 9.691 2.669 ( -3.896 5.993 1.234) 7.253 2.837 ( -5.212 0.054 -1.687) 5.479 3.539 ( 14.531 2.509 -5.765) 15.833 5.106 ( 2.048 -0.770 6.115) 6.494 5.607 ( 1.625 -1.436 5.263) 5.693 5.800 ( -2.112 -0.616 -5.644) 6.058 6.488 ( -10.426 2.246 -6.056) 12.265 6.892 ( -0.052 -0.966 2.531) 2.709 7.040 ( 2.487 -5.493 -1.645) 6.250 7.484 ( -6.072 0.740 -5.622) 8.308 7.635 ( -13.299 -0.713 10.463) 16.936 8.102 ( -2.720 2.084 -1.313) 3.669 8.715 ( 11.057 1.273 -1.491) 11.229 9.444 ( -0.606 2.711 0.158) 2.783 9.633 ( 2.940 -0.425 1.078) 3.160 16.619 ( 0.932 -0.056 -1.132) 1.468 16.895 ( 4.336 -0.861 0.468) 4.445 17.372 ( 0.266 -1.922 -0.137) 1.945 17.627 ( -1.621 0.251 2.836) 3.276 17.915 ( 1.262 4.730 2.466) 5.482 18.284 ( -12.029 -3.444 -5.254) 13.570 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -7.304 0.503 2.670) 7.793 1.674 ( 0.769 2.792 9.145) 9.593 1.860 ( 4.159 -6.323 -1.519) 7.719 2.517 ( -10.205 -3.914 -3.324) 11.424 2.878 ( 1.137 8.969 3.426) 9.668 3.755 ( 15.489 0.936 -11.468) 19.295 5.182 ( 3.067 -1.437 8.107) 8.786 5.595 ( 1.180 -6.747 -4.686) 8.299 5.753 ( -3.922 3.206 4.823) 6.994 6.305 ( -12.398 5.537 -2.631) 13.831 6.887 ( -0.813 -1.683 0.635) 1.974 7.042 ( 1.746 -1.828 -0.249) 2.540 7.385 ( -4.545 -3.869 3.952) 7.158 7.521 ( -7.097 4.756 5.077) 9.938 8.079 ( -1.449 1.153 -0.667) 1.968 8.868 ( 6.961 -0.205 1.311) 7.087 9.450 ( -0.361 2.056 -2.474) 3.236 9.665 ( 1.221 -0.704 -0.351) 1.452 16.641 ( 2.214 0.194 -0.903) 2.399 16.956 ( 4.763 0.305 -3.892) 6.159 17.371 ( 1.106 -1.211 1.304) 2.096 17.615 ( -1.164 -1.657 3.400) 3.958 17.992 ( 0.943 -3.706 -4.271) 5.733 18.059 ( -12.352 8.434 8.290) 17.101 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -7.228 -0.257 1.688) 7.427 1.671 ( -9.998 -5.663 8.002) 14.002 1.883 ( 5.109 1.573 -3.780) 6.547 2.408 ( 1.766 0.238 2.119) 2.768 2.998 ( -0.511 9.576 4.971) 10.801 3.873 ( 10.468 -4.404 -17.481) 20.846 5.271 ( 4.406 -0.756 7.822) 9.009 5.525 ( 0.970 -4.102 -4.389) 6.086 5.752 ( -7.869 6.792 7.719) 12.947 6.205 ( -4.561 3.334 3.281) 6.533 6.837 ( -2.421 -1.214 -3.526) 4.446 7.041 ( -0.035 -0.999 -1.151) 1.524 7.307 ( -3.759 -4.897 8.438) 10.455 7.578 ( 1.195 9.377 6.065) 11.231 8.068 ( -0.645 0.397 0.034) 0.758 8.934 ( 1.566 -2.607 1.823) 3.546 9.449 ( 0.888 0.391 -3.010) 3.162 9.650 ( -1.113 -0.903 -2.458) 2.845 16.674 ( 2.092 -0.038 -0.362) 2.124 16.998 ( 3.650 0.488 -7.621) 8.464 17.401 ( 1.655 0.730 2.086) 2.761 17.602 ( -0.330 -2.508 3.205) 4.083 17.800 ( -9.572 -4.226 -0.181) 10.465 18.185 ( 0.908 12.001 10.703) 16.106 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -2.744 -5.899 1.086) 6.597 1.410 ( -14.113 -10.230 3.024) 17.691 1.979 ( 2.865 6.539 -0.926) 7.199 2.557 ( 8.750 4.700 4.619) 10.954 3.087 ( -2.720 8.713 5.819) 10.825 3.795 ( 1.409 -8.194 -19.900) 21.567 5.403 ( 4.640 1.103 6.936) 8.418 5.508 ( 2.171 0.364 -3.429) 4.075 5.706 ( -10.632 7.936 6.251) 14.666 6.261 ( 5.008 -0.800 8.808) 10.164 6.766 ( -1.797 -0.538 -4.969) 5.312 7.011 ( -1.066 -1.183 -1.870) 2.456 7.294 ( 0.986 -2.899 7.825) 8.403 7.770 ( 3.373 13.455 9.587) 16.862 8.066 ( 0.163 -0.354 0.723) 0.822 8.899 ( -1.558 -4.139 -1.421) 4.645 9.442 ( 0.568 -2.931 -0.997) 3.148 9.590 ( -2.971 -0.438 -4.092) 5.076 16.697 ( 0.910 -0.083 -0.352) 0.979 16.971 ( -1.230 -1.989 -7.392) 7.753 17.455 ( 1.333 3.094 1.009) 3.517 17.600 ( 1.132 -2.832 2.970) 4.257 17.654 ( -5.200 -2.254 2.047) 6.026 18.402 ( 3.621 13.205 11.253) 17.723 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -6.784 -16.053 8.444) 19.366 1.197 ( 5.143 -4.677 -3.187) 7.647 2.058 ( -1.555 7.730 0.065) 7.886 2.761 ( 7.325 5.211 2.345) 9.290 3.139 ( -2.548 4.756 4.226) 6.854 3.586 ( -5.582 -4.302 -16.498) 17.940 5.452 ( -0.753 -1.665 5.812) 6.092 5.504 ( -9.813 5.697 1.130) 11.403 5.720 ( 3.988 5.273 0.465) 6.627 6.421 ( 9.659 -2.457 8.304) 12.972 6.726 ( 0.557 0.531 -4.738) 4.801 6.975 ( -0.560 -0.849 -2.161) 2.389 7.375 ( 6.156 -2.295 8.652) 10.864 8.005 ( 0.293 12.885 7.221) 14.774 8.096 ( 3.078 4.402 4.676) 7.122 8.815 ( -0.881 -4.052 -5.558) 6.934 9.382 ( -2.337 -5.806 -1.389) 6.411 9.518 ( -3.048 -0.489 -1.869) 3.608 16.696 ( -0.333 0.029 -1.393) 1.432 16.850 ( -5.312 -4.117 -3.581) 7.615 17.494 ( -1.418 4.196 -0.160) 4.432 17.614 ( 0.782 -3.564 3.839) 5.296 17.626 ( 3.225 -0.990 0.279) 3.386 18.657 ( 4.617 13.844 9.461) 17.392 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 3.165 -12.289 -0.518) 12.701 1.357 ( 16.515 -4.290 5.683) 17.985 2.061 ( -6.180 5.954 0.965) 8.635 2.890 ( 2.752 3.880 -1.140) 4.892 3.099 ( -0.092 -9.459 -7.518) 12.083 3.422 ( -9.886 10.686 -2.213) 14.725 5.355 ( -13.990 3.714 2.122) 14.629 5.453 ( -1.178 -2.393 6.430) 6.961 5.847 ( 4.804 5.199 -0.849) 7.130 6.576 ( 7.856 -4.422 3.535) 9.683 6.753 ( 4.753 3.441 -5.328) 7.926 6.956 ( 0.633 0.456 -3.359) 3.449 7.535 ( 10.022 -4.289 10.611) 15.213 8.052 ( -0.168 0.592 1.181) 1.332 8.302 ( -0.595 16.541 6.443) 17.761 8.762 ( 3.480 -2.716 -7.196) 8.442 9.274 ( -4.217 -2.893 0.189) 5.117 9.453 ( -3.070 -2.552 0.602) 4.037 16.666 ( -1.395 -1.014 -3.489) 3.891 16.729 ( -3.630 -2.764 0.921) 4.654 17.497 ( -2.055 3.857 0.002) 4.370 17.624 ( 1.454 -4.037 4.108) 5.940 17.678 ( 4.146 -0.889 -1.981) 4.680 18.890 ( 3.477 12.468 5.599) 14.103 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 16.129 -3.468 -8.226) 18.435 1.658 ( 18.318 -2.417 9.179) 20.631 1.999 ( -8.405 4.788 2.761) 10.059 2.867 ( -0.923 -8.653 -12.448) 15.188 2.948 ( -0.612 -5.160 -4.731) 7.028 3.411 ( -9.647 14.438 6.012) 18.376 5.180 ( -12.699 2.590 3.135) 13.334 5.439 ( -2.370 -2.286 5.639) 6.530 5.961 ( 4.129 5.102 0.145) 6.565 6.610 ( 1.732 -6.399 1.216) 6.740 6.863 ( 6.062 3.747 -3.242) 7.829 6.979 ( 5.022 4.267 -9.797) 11.807 7.710 ( 10.330 -6.675 9.131) 15.318 8.059 ( 0.342 -0.016 0.195) 0.394 8.380 ( -6.072 10.932 -2.258) 12.708 8.769 ( 7.236 -9.283 -7.277) 13.838 9.237 ( -6.551 5.861 10.919) 14.018 9.393 ( -1.578 0.593 -1.696) 2.391 16.624 ( 0.087 -0.702 -1.253) 1.439 16.687 ( -1.145 -0.866 0.676) 1.587 17.513 ( -0.483 4.022 0.828) 4.134 17.622 ( 0.196 -3.502 2.170) 4.125 17.702 ( 2.356 -2.839 -2.004) 4.198 19.047 ( 1.306 9.122 0.584) 9.234 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 11.107 3.595 -13.785) 18.064 1.641 ( 10.731 -15.081 -16.874) 25.047 2.094 ( -4.496 2.626 -1.054) 5.312 2.639 ( 1.756 6.666 8.819) 11.193 2.843 ( 7.447 -7.724 11.826) 15.968 3.375 ( -19.290 3.735 0.684) 19.660 5.319 ( -4.850 6.572 8.646) 11.894 5.361 ( -1.771 0.981 3.178) 3.768 5.999 ( -2.927 -2.467 -5.694) 6.861 6.572 ( 3.191 0.849 3.162) 4.572 6.864 ( 1.146 -4.072 -9.025) 9.967 7.047 ( 6.257 -2.384 -10.853) 12.753 7.743 ( 7.119 3.654 -11.543) 14.045 8.085 ( 0.771 -0.024 -0.998) 1.261 8.285 ( -10.127 1.602 0.762) 10.281 8.500 ( 3.792 -3.731 8.563) 10.081 9.206 ( -0.370 -3.283 6.291) 7.106 9.637 ( -4.767 3.603 -4.944) 7.756 16.641 ( 0.584 -1.707 0.705) 1.937 16.781 ( 0.115 0.942 1.037) 1.405 17.459 ( -2.064 -0.432 0.761) 2.242 17.618 ( 1.224 -0.396 -0.657) 1.445 17.720 ( 3.275 0.799 0.153) 3.374 18.982 ( -5.928 0.934 -7.903) 9.923 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 6.739 -10.524 -12.702) 17.818 1.702 ( 7.859 2.450 -10.134) 13.057 1.981 ( -6.668 -0.451 -4.762) 8.206 2.754 ( 2.137 6.716 4.552) 8.390 3.016 ( 2.024 -5.126 16.632) 17.522 3.126 ( -8.207 1.242 -1.293) 8.401 5.221 ( -7.063 -2.851 1.060) 7.690 5.476 ( 1.184 6.964 7.651) 10.413 5.905 ( -2.123 -0.423 -6.665) 7.007 6.630 ( 1.319 -0.751 1.357) 2.036 6.817 ( 3.934 -2.485 -6.623) 8.094 7.035 ( 3.062 -5.051 -7.224) 9.331 7.819 ( 2.560 6.887 -10.536) 12.845 8.052 ( -6.452 1.777 -0.807) 6.741 8.202 ( 1.000 0.453 -0.191) 1.115 8.506 ( -7.910 1.110 7.831) 11.186 9.252 ( 5.546 -3.347 5.984) 8.818 9.573 ( -1.658 0.097 -4.094) 4.419 16.640 ( 0.528 -1.547 0.588) 1.737 16.776 ( -0.033 -1.857 0.502) 1.924 17.433 ( -2.086 0.469 0.448) 2.185 17.644 ( 0.728 2.351 0.563) 2.525 17.770 ( 3.372 -0.559 -0.858) 3.524 18.834 ( -8.428 1.333 -7.127) 11.118 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 8.747 -6.513 -7.841) 13.431 1.701 ( -5.874 1.119 0.390) 5.992 1.897 ( 0.929 -1.052 -5.707) 5.877 2.864 ( -1.938 2.070 -0.855) 2.962 2.893 ( -6.600 7.765 2.664) 10.534 3.223 ( 7.067 -4.445 7.862) 11.468 5.104 ( -3.235 -4.412 1.586) 5.696 5.568 ( 0.888 1.457 3.583) 3.968 5.847 ( -1.344 1.631 -6.586) 6.917 6.634 ( -0.635 1.300 1.413) 2.023 6.863 ( 4.484 0.531 -1.237) 4.682 6.974 ( 0.142 -6.025 -4.123) 7.302 7.768 ( -9.004 5.858 -9.344) 14.237 7.973 ( -5.097 0.569 3.775) 6.368 8.297 ( 4.316 6.880 -4.568) 9.318 8.387 ( -7.637 -1.576 5.921) 9.791 9.370 ( 6.852 -1.188 5.145) 8.651 9.541 ( 1.098 -1.890 -3.038) 3.743 16.629 ( -0.711 -1.006 0.088) 1.235 16.776 ( 2.514 -2.768 0.948) 3.857 17.400 ( -2.060 -0.005 -0.957) 2.272 17.673 ( -0.686 1.453 1.885) 2.477 17.821 ( 3.948 0.644 -1.129) 4.156 18.664 ( -10.929 2.965 -4.580) 12.216 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 6.389 -1.645 -2.926) 7.217 1.646 ( -2.483 1.034 5.628) 6.238 1.862 ( -2.424 -0.774 -0.548) 2.603 2.815 ( -5.839 8.217 -1.868) 10.252 2.898 ( -2.722 -0.029 -0.862) 2.855 3.332 ( 8.836 -2.320 -0.289) 9.140 5.076 ( 2.359 -4.373 5.237) 7.219 5.560 ( 0.706 -5.565 -3.795) 6.772 5.821 ( -1.597 3.632 -1.641) 4.294 6.649 ( -5.513 7.699 1.624) 9.608 6.902 ( -0.996 -2.514 1.338) 3.017 6.937 ( 4.630 -1.484 0.069) 4.862 7.597 ( -10.140 3.492 -7.959) 13.355 7.897 ( -10.212 0.153 8.439) 13.248 8.205 ( -9.720 3.726 -0.696) 10.433 8.523 ( 13.159 1.516 -1.698) 13.354 9.460 ( 0.956 0.670 0.221) 1.188 9.554 ( 5.537 -2.887 0.004) 6.244 16.611 ( -0.441 -0.248 -0.154) 0.529 16.811 ( 4.133 -2.349 0.275) 4.762 17.365 ( -1.188 -0.393 -0.626) 1.399 17.669 ( -1.577 -0.244 1.921) 2.497 17.886 ( 3.962 0.517 -1.674) 4.332 18.500 ( -12.917 6.322 0.271) 14.383 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -0.332 2.679 1.384) 3.033 1.700 ( 2.756 2.437 3.787) 5.280 1.828 ( -2.383 0.496 5.375) 5.901 2.645 ( -12.666 -3.837 -4.416) 13.952 2.956 ( 2.225 9.712 1.567) 10.086 3.453 ( 12.514 -4.015 -9.030) 15.946 5.139 ( 4.746 -3.995 7.932) 10.070 5.478 ( 1.127 -6.352 -6.438) 9.114 5.843 ( -1.049 3.751 3.734) 5.396 6.579 ( -11.893 8.525 -1.401) 14.700 6.904 ( -1.037 1.240 2.374) 2.872 6.998 ( 2.458 0.286 2.011) 3.188 7.448 ( -6.059 -0.068 -2.203) 6.448 7.765 ( -12.362 2.468 8.996) 15.487 8.120 ( -3.551 1.538 -1.761) 4.251 8.727 ( 11.096 0.226 0.188) 11.100 9.437 ( -0.030 -2.527 -3.890) 4.639 9.628 ( 3.335 0.553 0.613) 3.435 16.613 ( 0.901 0.175 -0.237) 0.948 16.861 ( 4.442 -0.908 -1.899) 4.915 17.356 ( 0.427 -0.367 1.329) 1.443 17.648 ( -1.877 -0.392 1.663) 2.538 17.913 ( 2.061 -3.069 -3.759) 5.273 18.395 ( -12.143 11.245 7.162) 18.033 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -9.340 2.365 -2.056) 9.852 1.812 ( 1.650 1.235 1.561) 2.586 1.826 ( -2.616 1.655 8.929) 9.450 2.428 ( -4.871 -1.770 -0.814) 5.246 3.096 ( 1.865 8.006 3.316) 8.864 3.535 ( 12.714 -6.280 -15.998) 21.378 5.225 ( 4.567 -2.563 6.973) 8.721 5.440 ( 2.758 -2.709 -2.825) 4.788 5.892 ( -0.484 2.774 6.463) 7.050 6.452 ( -12.818 9.164 0.030) 15.757 6.872 ( -5.127 2.584 -3.068) 6.510 7.025 ( 0.105 -0.215 -0.111) 0.264 7.370 ( -4.263 -5.194 8.540) 10.867 7.725 ( -3.457 9.522 7.064) 12.350 8.084 ( -1.291 0.315 -1.002) 1.664 8.854 ( 5.669 -4.351 1.702) 7.346 9.392 ( 1.704 -3.524 -5.047) 6.387 9.662 ( -0.613 2.373 -1.258) 2.755 16.637 ( 1.984 -0.081 -0.151) 1.991 16.908 ( 3.700 0.634 -4.739) 6.046 17.388 ( 1.980 0.061 3.357) 3.898 17.623 ( -1.915 -0.218 0.929) 2.140 17.847 ( -2.882 -4.300 -3.314) 6.147 18.416 ( -6.216 13.230 11.414) 18.545 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -10.814 -2.638 -7.649) 13.506 1.605 ( -16.944 -10.235 8.112) 21.392 1.985 ( 5.210 7.941 2.322) 9.777 2.497 ( 7.453 5.408 3.274) 9.773 3.153 ( 1.201 -3.493 -1.598) 4.024 3.583 ( 7.072 2.109 -12.736) 14.720 5.338 ( 7.092 1.447 3.049) 7.854 5.459 ( 1.805 -1.211 0.310) 2.195 5.938 ( -2.839 3.002 7.256) 8.350 6.364 ( -9.040 7.772 4.822) 12.860 6.776 ( -4.570 0.811 -5.949) 7.545 7.005 ( -0.928 -1.254 -1.675) 2.289 7.311 ( -2.528 -5.822 9.891) 11.752 7.903 ( 4.019 15.402 9.332) 18.452 8.067 ( -0.427 -0.471 -0.124) 0.647 8.835 ( 0.402 -9.765 -1.312) 9.861 9.378 ( 2.671 -3.316 -2.413) 4.894 9.639 ( -3.769 3.113 -2.593) 5.534 16.667 ( 1.995 -0.477 -0.123) 2.055 16.923 ( 1.121 0.500 -6.403) 6.519 17.451 ( 2.559 0.559 3.973) 4.758 17.595 ( -1.329 -0.514 0.135) 1.431 17.732 ( -5.285 -2.541 -0.841) 5.924 18.556 ( -0.022 12.676 11.736) 17.275 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -1.766 -7.508 -4.689) 9.026 1.250 ( -17.782 -14.246 7.706) 24.053 2.126 ( 2.334 5.954 0.780) 6.443 2.707 ( 8.113 7.194 1.531) 10.951 3.066 ( 2.215 -12.443 -9.481) 15.799 3.656 ( -2.162 13.645 -2.344) 14.013 5.467 ( 0.165 -1.255 1.299) 1.814 5.501 ( 8.568 4.652 -2.859) 10.160 5.910 ( -9.968 4.375 6.917) 12.898 6.378 ( -0.316 2.157 9.748) 9.989 6.699 ( -0.894 -0.164 -5.524) 5.599 6.964 ( -0.907 -1.496 -1.930) 2.605 7.316 ( 2.796 -4.758 8.469) 10.109 8.058 ( -0.162 -0.919 0.467) 1.043 8.207 ( 6.005 19.872 9.581) 22.864 8.703 ( -0.079 -12.685 -6.603) 14.301 9.363 ( -0.411 -2.991 -0.311) 3.035 9.581 ( -4.911 1.927 -0.555) 5.305 16.683 ( 0.715 -0.510 -0.929) 1.279 16.871 ( -3.058 -1.386 -4.572) 5.672 17.513 ( 1.918 1.655 0.756) 2.644 17.583 ( 0.963 -2.122 1.847) 2.974 17.638 ( -4.006 -1.143 0.209) 4.171 18.766 ( 3.538 12.218 9.618) 15.947 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -11.125 -18.971 10.085) 24.194 1.080 ( 13.154 -6.157 -0.306) 14.527 2.159 ( -0.547 -0.962 -1.869) 2.172 2.875 ( 5.053 5.814 -2.511) 8.102 2.910 ( -0.915 -10.280 -10.422) 14.667 3.729 ( -8.040 18.781 3.721) 20.766 5.462 ( -0.037 -0.958 0.556) 1.108 5.583 ( -4.453 4.075 -3.767) 7.115 5.855 ( -2.562 3.775 6.294) 7.774 6.472 ( 4.116 -1.941 8.326) 9.488 6.689 ( 2.666 1.997 -4.975) 5.987 6.934 ( 0.096 -1.203 -1.738) 2.115 7.405 ( 7.518 -5.273 9.117) 12.940 8.049 ( 0.077 -1.266 0.420) 1.336 8.493 ( -0.853 10.651 -0.960) 10.729 8.574 ( 6.011 -4.458 -6.006) 9.596 9.330 ( -1.117 2.500 0.229) 2.748 9.516 ( -5.472 -1.486 5.671) 8.019 16.663 ( -1.422 -0.606 -2.747) 3.152 16.772 ( -4.184 -2.573 0.050) 4.913 17.547 ( 0.486 2.696 -2.787) 3.908 17.589 ( -0.419 -2.207 1.047) 2.478 17.605 ( 2.443 -2.888 2.747) 4.675 18.978 ( 3.360 10.986 5.491) 12.733 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 6.388 -12.178 0.051) 13.752 1.347 ( 22.008 -5.965 8.282) 24.260 2.089 ( -0.062 -8.059 -4.467) 9.214 2.717 ( -5.244 -6.715 -9.886) 13.051 2.953 ( -0.089 4.706 -2.871) 5.513 3.776 ( -11.724 18.895 5.710) 22.958 5.416 ( -9.736 3.715 -4.536) 11.365 5.477 ( -3.143 -3.777 7.749) 9.175 5.946 ( 3.690 4.386 1.789) 6.004 6.535 ( 2.469 -4.313 4.489) 6.697 6.769 ( 6.370 6.122 -6.785) 11.140 6.924 ( 1.140 -0.451 -2.431) 2.723 7.540 ( 9.098 -7.184 9.030) 14.694 8.044 ( 0.690 -0.763 -0.596) 1.189 8.400 ( 4.865 -12.349 -11.361) 17.471 8.643 ( -4.546 7.162 -4.435) 9.572 9.402 ( 0.240 1.964 -3.102) 3.679 9.475 ( -4.266 8.967 15.148) 18.113 16.618 ( -0.836 -0.277 -0.941) 1.289 16.709 ( -2.251 -1.761 1.452) 3.206 17.553 ( -0.523 2.812 -1.554) 3.256 17.592 ( 2.005 -4.056 2.885) 5.366 17.622 ( 2.016 -2.544 -1.449) 3.555 19.116 ( 0.570 8.008 0.306) 8.034 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 10.055 -18.378 -16.354) 26.577 1.205 ( 20.124 6.434 -14.730) 25.756 2.081 ( 11.396 -2.832 7.254) 13.802 2.702 ( -0.459 1.445 10.115) 10.228 2.844 ( -5.297 0.769 3.592) 6.446 3.765 ( -23.009 5.246 -0.153) 23.600 5.415 ( -1.381 0.351 3.379) 3.667 5.481 ( -3.242 3.573 7.701) 9.087 5.986 ( -2.526 -2.225 -6.514) 7.332 6.558 ( 2.211 1.360 2.942) 3.923 6.729 ( 0.549 -3.088 -13.499) 13.859 6.936 ( 2.915 -0.747 -1.953) 3.588 7.577 ( 9.496 3.523 -10.641) 14.691 8.047 ( 1.757 -2.009 1.260) 2.951 8.328 ( 11.458 -6.048 12.667) 18.120 8.549 ( -8.740 6.572 0.412) 10.943 9.276 ( -4.469 1.321 5.238) 7.011 9.687 ( -5.857 -0.782 -11.096) 12.571 16.629 ( -0.355 -1.477 0.924) 1.778 16.776 ( 0.691 -1.281 -0.257) 1.478 17.501 ( -1.414 1.065 2.281) 2.887 17.582 ( 2.484 -0.448 0.222) 2.534 17.662 ( 3.265 -0.494 -2.074) 3.899 19.061 ( -5.814 3.083 -4.066) 7.735 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 12.386 -13.687 -12.580) 22.339 1.519 ( 14.479 12.739 -12.302) 22.875 2.088 ( -7.441 -1.586 -1.775) 7.813 2.825 ( -0.055 -1.001 6.953) 7.025 2.876 ( 10.905 -2.392 14.156) 18.029 3.437 ( -21.108 2.615 -1.315) 21.310 5.316 ( -8.378 -5.034 2.212) 10.021 5.537 ( 1.054 1.845 1.514) 2.609 5.902 ( -2.108 1.828 -6.693) 7.251 6.644 ( 1.804 2.910 5.494) 6.473 6.672 ( 3.721 -1.143 -7.511) 8.460 6.953 ( 1.608 -1.380 -1.913) 2.855 7.714 ( 9.393 5.719 -9.978) 14.849 8.063 ( 1.351 -0.864 -0.005) 1.603 8.331 ( -10.606 0.563 3.940) 11.328 8.624 ( 4.699 4.560 7.178) 9.715 9.239 ( -4.324 0.795 3.586) 5.674 9.541 ( -1.347 -4.519 -8.199) 9.458 16.624 ( 0.485 -1.255 1.229) 1.822 16.750 ( -0.035 -3.085 -1.505) 3.433 17.488 ( -2.968 1.222 0.993) 3.360 17.643 ( 2.852 2.302 1.575) 3.989 17.691 ( 3.661 -1.589 -2.945) 4.960 18.965 ( -7.941 4.294 -3.002) 9.514 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 12.191 -1.274 -3.549) 12.761 1.741 ( 6.412 10.315 -7.397) 14.220 1.906 ( -8.232 -3.137 -2.544) 9.169 2.862 ( 0.828 1.141 3.450) 3.727 3.094 ( 8.502 -5.346 8.181) 12.954 3.162 ( -13.752 2.907 1.471) 14.132 5.135 ( -6.640 -6.908 0.347) 9.588 5.534 ( 1.238 -3.826 -5.473) 6.791 5.878 ( -2.031 5.173 -2.629) 6.148 6.706 ( 0.529 5.330 5.076) 7.379 6.756 ( 5.376 0.880 1.343) 5.611 6.942 ( -0.383 -0.823 -0.869) 1.257 7.835 ( 3.141 6.409 -8.774) 11.311 8.055 ( -2.690 0.769 -2.133) 3.519 8.218 ( -1.932 0.234 1.998) 2.789 8.674 ( -11.472 7.844 3.920) 14.440 9.253 ( 6.693 -3.345 3.903) 8.439 9.468 ( 1.380 -4.720 -4.677) 6.787 16.629 ( 0.160 -0.889 1.376) 1.646 16.721 ( 1.078 -2.619 -0.996) 3.002 17.445 ( -3.467 1.205 -0.966) 3.795 17.684 ( 0.968 -1.478 0.842) 1.957 17.749 ( 4.547 1.545 -1.356) 4.990 18.859 ( -9.595 6.292 -1.385) 11.558 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 8.812 5.841 1.915) 10.744 1.736 ( -5.294 -2.335 4.791) 7.512 1.884 ( 1.882 6.689 -4.524) 8.292 2.902 ( 1.422 1.751 0.185) 2.263 2.979 ( -8.968 4.588 -6.194) 11.825 3.205 ( 4.120 -7.286 5.326) 9.921 5.026 ( 0.286 -6.582 3.104) 7.283 5.460 ( 0.414 -5.794 -7.366) 9.381 5.890 ( -1.946 5.712 -0.187) 6.037 6.771 ( 0.935 -1.890 0.591) 2.190 6.863 ( 1.501 6.609 2.746) 7.313 6.954 ( -0.251 4.932 7.624) 9.083 7.759 ( -10.677 3.939 -8.351) 14.116 8.017 ( -2.260 1.070 1.189) 2.769 8.323 ( 11.394 1.184 -1.230) 11.522 8.492 ( -18.416 5.913 0.530) 19.349 9.399 ( 9.688 -4.797 0.894) 10.847 9.427 ( 1.993 -2.146 -0.838) 3.046 16.622 ( -0.891 -0.409 1.023) 1.417 16.734 ( 3.141 -1.442 -0.210) 3.463 17.397 ( -2.902 1.289 -1.223) 3.403 17.682 ( 0.220 -1.684 0.993) 1.967 17.813 ( 3.510 -0.169 -1.769) 3.934 18.768 ( -10.391 8.985 1.280) 13.796 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 4.370 8.317 2.905) 9.834 1.722 ( 0.562 -0.727 7.923) 7.976 1.925 ( -2.436 6.004 0.749) 6.523 2.785 ( -11.864 -3.477 -4.530) 13.167 2.994 ( 3.852 9.636 -3.017) 10.807 3.198 ( 5.586 -10.000 -5.239) 12.595 5.055 ( 5.659 -5.315 7.276) 10.640 5.382 ( 0.626 -3.861 -5.447) 6.706 5.915 ( -1.447 5.037 1.091) 5.353 6.716 ( -3.129 -3.217 -1.590) 4.761 6.928 ( 1.519 2.696 -1.280) 3.349 7.107 ( -2.595 13.773 13.839) 19.696 7.560 ( -10.190 1.447 -6.524) 12.186 7.985 ( -5.577 0.791 5.012) 7.540 8.254 ( -14.031 2.307 -1.329) 14.282 8.532 ( 12.915 1.172 -1.973) 13.118 9.353 ( 1.327 -7.572 -4.786) 9.055 9.571 ( 6.779 2.034 2.349) 7.457 16.613 ( -0.522 0.055 0.692) 0.869 16.782 ( 3.846 -0.224 -0.623) 3.903 17.372 ( -1.259 1.381 0.097) 1.872 17.673 ( -0.657 -0.917 1.076) 1.559 17.832 ( 2.131 -2.764 -2.603) 4.354 18.714 ( -10.032 11.245 4.472) 15.719 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -5.592 5.531 -2.205) 8.168 1.811 ( 3.275 3.895 5.861) 7.762 1.945 ( -2.854 3.624 5.940) 7.521 2.520 ( -11.009 -4.315 -2.346) 12.055 3.096 ( 1.942 -7.716 -4.027) 8.918 3.219 ( 12.639 5.593 -9.105) 16.551 5.160 ( 5.977 -3.183 8.344) 10.746 5.363 ( 2.712 -1.014 -1.968) 3.501 5.949 ( -0.542 3.736 2.208) 4.374 6.620 ( -4.468 -1.526 -1.442) 4.937 6.951 ( -0.032 1.918 -2.824) 3.414 7.165 ( -12.716 13.250 -1.230) 18.406 7.458 ( -3.885 -1.620 11.573) 12.314 7.924 ( -6.997 5.216 6.309) 10.769 8.109 ( -3.919 0.030 -3.276) 5.108 8.697 ( 9.123 -4.462 -0.173) 10.157 9.281 ( 2.239 -6.498 -5.258) 8.653 9.679 ( 2.377 4.008 -0.117) 4.661 16.617 ( 0.502 0.068 0.315) 0.596 16.837 ( 3.547 0.855 -2.288) 4.307 17.387 ( 0.812 1.368 1.953) 2.519 17.655 ( -1.539 -0.185 0.374) 1.594 17.805 ( 0.407 -4.234 -2.310) 4.840 18.709 ( -8.040 11.947 7.227) 16.113 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -15.737 0.639 -12.339) 20.008 1.813 ( -12.428 -7.947 7.818) 16.695 1.990 ( 3.388 4.640 4.078) 7.045 2.461 ( 4.330 4.498 1.851) 6.512 2.971 ( 3.364 -15.286 -10.079) 18.617 3.488 ( 11.127 14.326 -1.835) 18.232 5.272 ( 5.064 0.560 4.645) 6.894 5.412 ( 3.637 -1.065 1.913) 4.245 5.992 ( 0.492 2.210 3.310) 4.010 6.546 ( -3.463 0.569 0.344) 3.526 6.909 ( -7.525 6.258 -7.957) 12.614 7.031 ( -7.707 3.299 -4.204) 9.378 7.413 ( -8.779 -5.271 16.544) 19.457 8.019 ( 3.178 11.164 6.531) 13.319 8.065 ( 0.153 0.483 -0.869) 1.006 8.703 ( 1.849 -12.145 -1.669) 12.398 9.272 ( 4.902 -3.026 -2.325) 6.212 9.718 ( -2.078 5.398 -1.970) 6.110 16.634 ( 1.506 -0.149 0.046) 1.514 16.874 ( 2.068 1.121 -4.600) 5.167 17.439 ( 2.207 0.721 3.436) 4.147 17.623 ( -2.229 0.059 -0.906) 2.407 17.747 ( -1.409 -3.933 -1.372) 4.397 18.764 ( -4.107 11.240 8.895) 14.910 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -13.129 -3.891 -15.621) 20.773 1.481 ( -20.166 -15.498 11.282) 27.824 2.068 ( 4.771 -5.367 -4.607) 8.531 2.648 ( 8.172 8.495 -0.953) 11.826 2.865 ( 3.751 -8.088 -4.356) 9.923 3.781 ( 6.040 18.161 1.870) 19.230 5.388 ( 6.013 3.664 -2.948) 7.633 5.459 ( 2.108 -2.759 5.159) 6.219 6.033 ( -0.450 1.160 3.251) 3.481 6.533 ( -2.074 2.528 5.355) 6.275 6.748 ( -11.170 6.159 -8.964) 15.589 6.957 ( -1.676 -1.680 -1.872) 3.022 7.325 ( -4.435 -6.313 12.043) 14.303 8.042 ( 0.723 -2.132 -0.349) 2.278 8.298 ( 8.520 12.670 5.401) 16.195 8.554 ( -1.907 -12.005 -4.816) 13.074 9.322 ( 3.348 -2.132 1.813) 4.364 9.697 ( -5.348 5.507 -0.843) 7.723 16.658 ( 1.511 -0.222 -0.170) 1.537 16.864 ( -0.470 0.361 -5.823) 5.853 17.497 ( 2.116 -0.837 3.796) 4.426 17.579 ( -1.753 -0.466 -1.542) 2.381 17.677 ( -2.617 -2.293 -1.160) 3.668 18.886 ( 0.590 10.016 8.513) 13.158 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 3.489 -9.289 -7.170) 12.242 1.052 ( -20.612 -19.124 11.405) 30.342 1.979 ( 5.330 -18.846 -12.261) 23.106 2.805 ( 3.657 7.628 -6.060) 10.406 2.899 ( 1.938 3.873 3.024) 5.282 4.019 ( -1.397 21.134 4.352) 21.623 5.440 ( 1.240 0.066 -3.267) 3.495 5.538 ( 6.129 0.896 -1.140) 6.298 6.012 ( -5.564 0.995 3.023) 6.410 6.554 ( -6.805 4.094 9.523) 12.400 6.641 ( 1.548 0.593 -4.215) 4.529 6.912 ( -0.475 -1.863 -1.629) 2.520 7.314 ( 2.936 -6.176 8.864) 11.195 8.033 ( 0.636 -2.214 0.394) 2.337 8.298 ( 1.352 -18.314 -11.171) 21.495 8.643 ( 5.335 17.787 -0.189) 18.571 9.350 ( 0.680 0.657 1.148) 1.487 9.661 ( -6.068 3.533 8.069) 10.697 16.665 ( -0.403 0.104 -1.108) 1.184 16.803 ( -2.779 -1.393 -3.379) 4.591 17.515 ( 0.583 -1.552 -0.731) 1.811 17.564 ( 1.257 -2.014 1.588) 2.856 17.616 ( -2.229 -0.858 -0.921) 2.560 19.047 ( 3.000 8.690 5.303) 10.613 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -13.123 -21.673 13.192) 28.565 0.952 ( 22.122 -9.794 3.788) 24.487 1.791 ( 7.013 -24.982 -15.245) 30.095 2.821 ( -7.107 6.823 -0.868) 9.890 2.983 ( 1.131 6.786 -2.673) 7.381 4.167 ( -8.747 21.928 5.222) 24.179 5.436 ( 0.780 -1.003 -1.835) 2.232 5.562 ( -2.407 -0.206 -5.662) 6.156 5.972 ( -1.483 1.576 5.142) 5.579 6.535 ( -1.970 -0.166 5.087) 5.458 6.716 ( 3.848 4.697 0.321) 6.081 6.889 ( 0.657 -1.905 -1.126) 2.308 7.394 ( 7.335 -7.070 8.786) 13.453 8.020 ( -0.042 -1.395 -2.474) 2.840 8.093 ( 4.616 -18.946 -11.477) 22.627 8.773 ( -3.329 10.219 -7.544) 13.131 9.388 ( 1.566 3.137 -4.349) 5.586 9.704 ( -3.108 7.534 17.852) 19.625 16.635 ( -1.855 0.446 -1.044) 2.175 16.737 ( -2.283 -2.297 1.243) 3.469 17.511 ( 2.595 -2.980 -1.524) 4.235 17.563 ( -0.088 -0.155 -1.687) 1.696 17.594 ( 0.311 -2.035 2.240) 3.042 19.172 ( 1.106 6.596 0.010) 6.688 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -0.000 0.000 25.312) 25.312 0.943 ( 0.000 0.000 25.312) 25.312 1.238 ( 0.000 0.000 34.065) 34.065 2.974 ( 0.000 -0.000 -8.794) 8.794 2.974 ( -0.000 -0.000 -8.794) 8.794 4.459 ( -0.000 -0.000 -24.293) 24.293 5.365 ( 0.000 -0.000 -4.296) 4.296 5.365 ( 0.000 -0.000 -4.296) 4.296 6.229 ( -0.000 -0.000 -1.342) 1.342 6.650 ( -0.000 0.000 -0.797) 0.797 6.650 ( 0.000 0.000 -0.797) 0.797 7.106 ( 0.000 0.000 18.850) 18.850 7.375 ( 0.000 0.000 10.207) 10.207 7.375 ( 0.000 0.000 10.207) 10.207 8.044 ( -0.000 -0.000 -0.892) 0.892 9.305 ( -0.000 -0.000 -5.212) 5.212 9.305 ( 0.000 -0.000 -5.212) 5.212 9.955 ( -0.000 -0.000 -7.003) 7.003 16.687 ( 0.000 -0.000 -0.346) 0.346 16.687 ( 0.000 -0.000 -0.346) 0.346 17.413 ( 0.000 0.000 2.740) 2.740 17.413 ( 0.000 0.000 2.740) 2.740 17.556 ( 0.000 0.000 0.831) 0.831 19.570 ( -0.000 -0.000 -0.438) 0.438 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.277 0.180 21.293) 21.296 1.252 ( 1.170 13.261 24.027) 27.468 1.553 ( 13.898 -0.449 27.867) 31.144 2.815 ( -5.023 -5.248 -8.926) 11.509 2.983 ( 1.221 0.563 -7.489) 7.609 4.240 ( -7.570 -3.703 -22.290) 23.830 5.231 ( -4.228 -2.952 -7.055) 8.739 5.484 ( 7.524 3.754 -3.096) 8.961 6.148 ( -4.825 -3.469 -1.496) 6.128 6.549 ( -4.534 -2.053 1.064) 5.090 6.781 ( 6.006 5.234 -2.574) 8.372 7.118 ( -3.810 -4.040 10.694) 12.049 7.430 ( -2.493 11.150 14.331) 18.328 7.632 ( 15.647 -2.715 11.216) 19.443 8.054 ( 1.540 0.750 0.196) 1.724 9.145 ( -5.651 -6.853 -6.913) 11.255 9.386 ( 4.479 0.784 -0.289) 4.556 9.751 ( -13.233 -2.447 -9.406) 16.419 16.660 ( -1.450 -0.585 -0.345) 1.602 16.722 ( 0.917 2.637 -0.085) 2.793 17.424 ( 0.360 1.020 2.050) 2.317 17.493 ( 3.884 2.073 1.884) 4.789 17.583 ( 2.542 0.412 0.876) 2.720 19.470 ( -7.226 -5.538 0.757) 9.136 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 7.200 6.883 12.321) 15.844 1.525 ( -0.660 17.471 20.183) 26.702 1.887 ( 10.855 -2.610 15.287) 18.929 2.662 ( -0.356 -7.387 -2.429) 7.785 2.942 ( -0.401 -2.361 -4.003) 4.665 3.920 ( -12.528 -4.696 -18.033) 22.454 5.094 ( -4.002 -2.681 -8.660) 9.910 5.600 ( 4.052 0.778 0.180) 4.130 6.038 ( -2.552 -2.920 -3.534) 5.247 6.489 ( -3.045 0.061 2.616) 4.015 6.881 ( 2.719 3.816 -1.535) 4.930 7.102 ( 1.457 -1.801 1.010) 2.527 7.583 ( -3.474 13.595 14.035) 19.846 7.904 ( 12.486 -2.658 6.389) 14.275 8.140 ( 9.147 -0.967 5.851) 10.901 8.924 ( -5.356 -13.607 -6.757) 16.108 9.338 ( -12.481 -6.095 5.105) 14.799 9.572 ( -0.641 10.270 -15.150) 18.314 16.633 ( -1.004 -0.359 -0.172) 1.080 16.753 ( -0.724 3.228 0.781) 3.399 17.457 ( 0.064 3.395 0.083) 3.396 17.561 ( 3.118 -1.030 0.921) 3.410 17.651 ( 3.221 1.308 2.306) 4.172 19.292 ( -7.011 -7.113 -1.068) 10.044 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 8.635 8.604 4.420) 12.967 1.756 ( -0.577 12.426 10.253) 16.120 1.964 ( -2.661 -2.074 3.053) 4.550 2.677 ( 7.227 -7.145 2.882) 10.563 2.930 ( 3.235 -2.315 6.134) 7.311 3.573 ( -14.120 -3.422 -13.375) 19.748 4.964 ( -3.509 -1.845 -7.347) 8.349 5.598 ( -4.007 -3.981 4.777) 7.398 5.996 ( 2.705 -0.161 -7.383) 7.864 6.485 ( -0.384 1.549 2.878) 3.291 6.929 ( 0.535 2.376 0.253) 2.449 7.142 ( 6.161 0.138 -6.048) 8.634 7.723 ( -2.351 10.952 11.028) 15.719 8.020 ( 2.483 1.617 -0.858) 3.084 8.401 ( 18.869 -6.612 11.296) 22.964 8.650 ( -7.004 -14.823 -6.460) 17.621 9.094 ( -14.333 3.690 -4.284) 15.408 9.602 ( 0.008 5.791 -5.537) 8.012 16.623 ( 0.180 -0.462 0.127) 0.511 16.767 ( -1.656 2.708 1.304) 3.432 17.482 ( -0.534 4.012 -2.107) 4.564 17.596 ( 2.910 -2.070 0.135) 3.574 17.716 ( 0.970 0.653 4.738) 4.880 19.118 ( -4.458 -6.094 -5.654) 9.433 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 7.531 7.679 0.147) 10.757 1.777 ( -1.487 -4.827 -2.296) 5.548 1.941 ( -4.398 3.744 3.618) 6.816 2.711 ( 1.925 -1.564 -0.032) 2.480 3.060 ( 5.022 -1.082 10.309) 11.518 3.289 ( -9.918 -1.051 -6.980) 12.173 4.882 ( -1.304 -0.687 -2.031) 2.509 5.492 ( -6.295 -5.193 5.372) 9.770 6.006 ( 2.991 1.066 -8.180) 8.774 6.528 ( 1.400 1.418 2.888) 3.509 6.953 ( -0.014 1.678 0.217) 1.692 7.219 ( 8.756 0.402 -11.180) 14.206 7.828 ( -0.428 4.962 6.516) 8.201 8.027 ( -0.277 -1.159 -3.314) 3.522 8.348 ( -8.878 -8.999 -6.837) 14.372 8.727 ( 17.775 -3.857 7.553) 19.695 8.928 ( -9.946 7.825 -2.590) 12.918 9.594 ( -3.508 1.981 -0.166) 4.032 16.633 ( 1.583 -0.857 0.611) 1.901 16.763 ( -2.274 1.629 1.182) 3.037 17.490 ( -0.109 2.216 -3.238) 3.925 17.621 ( 1.019 0.959 -0.248) 1.421 17.746 ( -0.548 -1.742 6.256) 6.517 18.980 ( -1.198 -3.546 -10.754) 11.387 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -3.338 -3.521 -3.034) 5.722 1.817 ( 7.567 1.506 2.484) 8.105 1.886 ( -0.160 -2.660 -4.940) 5.613 2.701 ( -3.924 2.515 -3.327) 5.726 3.077 ( -3.249 5.352 -5.493) 8.329 3.223 ( -1.488 -3.507 12.084) 12.671 4.903 ( 3.208 0.211 5.199) 6.113 5.391 ( -4.345 -3.241 4.178) 6.844 6.010 ( 1.779 1.857 -8.071) 8.471 6.574 ( 0.921 0.258 3.313) 3.448 6.961 ( -0.362 1.046 -0.804) 1.368 7.265 ( 7.179 -4.309 -16.063) 18.115 7.850 ( 2.030 -4.571 -2.143) 5.441 7.982 ( -3.354 2.279 -2.520) 4.775 8.144 ( -5.493 0.217 -7.858) 9.590 8.834 ( -7.688 11.561 -1.071) 13.925 9.042 ( 15.484 -3.843 8.893) 18.265 9.528 ( -6.229 -1.102 3.553) 7.255 16.663 ( 2.781 -1.416 1.258) 3.365 16.740 ( -2.523 0.527 1.024) 2.774 17.484 ( -0.306 1.488 -3.234) 3.573 17.644 ( -0.557 3.377 -0.285) 3.434 17.743 ( -0.699 -3.874 5.900) 7.093 18.893 ( 1.779 -0.760 -14.353) 14.483 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -5.896 -8.758 -8.473) 13.537 1.877 ( 4.570 -1.451 2.031) 5.207 1.958 ( 4.930 1.909 -4.886) 7.199 2.596 ( -6.058 2.161 -6.824) 9.378 3.111 ( 3.423 6.379 -4.031) 8.286 3.194 ( -7.975 -3.170 15.835) 18.011 5.035 ( 7.270 -0.003 9.505) 11.966 5.355 ( -1.294 0.908 3.220) 3.587 6.008 ( 0.973 2.684 -7.527) 8.050 6.594 ( -0.573 -0.829 3.586) 3.725 6.946 ( -0.971 0.056 -3.925) 4.043 7.151 ( 0.401 -10.800 -16.158) 19.439 7.854 ( -3.895 3.625 -10.979) 12.201 7.908 ( 4.717 0.348 -5.760) 7.454 8.097 ( 1.947 -1.059 -2.415) 3.278 8.815 ( -9.671 11.254 3.777) 15.311 9.281 ( 11.008 -2.025 6.785) 13.088 9.436 ( -4.570 -2.630 4.307) 6.808 16.702 ( 1.002 -0.527 -0.813) 1.394 16.714 ( -0.067 -1.458 4.170) 4.418 17.476 ( -0.762 2.434 -2.401) 3.503 17.658 ( -1.428 3.181 -0.491) 3.521 17.724 ( -0.285 -4.601 3.944) 6.067 18.857 ( 4.094 1.387 -15.264) 15.865 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -6.270 -13.045 -9.159) 17.128 1.861 ( -14.007 4.180 -12.749) 19.396 2.001 ( 8.386 1.945 -1.188) 8.690 2.562 ( 3.796 -1.673 1.904) 4.564 3.047 ( -10.590 -6.700 12.482) 17.687 3.315 ( 9.930 10.446 1.563) 14.497 5.215 ( 8.589 -1.707 9.381) 12.833 5.401 ( 0.781 5.048 3.442) 6.160 6.007 ( 0.292 3.602 -6.234) 7.205 6.585 ( -1.502 -1.474 3.006) 3.670 6.844 ( -2.268 -4.892 -16.366) 17.232 6.998 ( -1.611 -4.324 -3.145) 5.584 7.683 ( -6.732 -1.115 -12.770) 14.479 8.046 ( 6.790 2.385 -3.144) 7.853 8.129 ( 8.197 0.420 -5.607) 9.940 8.743 ( -12.501 3.432 7.155) 14.807 9.338 ( -5.388 2.241 7.419) 9.439 9.497 ( 10.026 -1.535 -0.741) 10.170 16.679 ( -1.683 0.105 0.593) 1.788 16.756 ( 2.425 -1.983 4.110) 5.168 17.482 ( -0.325 3.129 -1.015) 3.306 17.647 ( -2.256 1.564 -0.693) 2.831 17.694 ( -0.400 -4.074 1.180) 4.260 18.874 ( 6.002 2.580 -13.545) 15.038 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -6.032 -13.609 -3.353) 15.259 1.495 ( -24.755 6.731 -17.558) 31.087 2.114 ( 1.906 -2.130 2.479) 3.783 2.654 ( 6.932 -4.533 8.319) 11.739 2.906 ( -6.022 -2.934 6.243) 9.157 3.641 ( 16.352 11.749 0.527) 20.142 5.365 ( 6.530 -2.730 7.010) 9.962 5.489 ( 1.782 3.671 3.071) 5.107 6.011 ( -0.821 4.669 -4.487) 6.527 6.561 ( -0.913 0.150 -1.627) 1.872 6.679 ( -1.505 -2.868 -11.745) 12.183 6.945 ( -1.945 -1.102 0.386) 2.268 7.492 ( -5.130 -4.250 -11.538) 13.323 8.065 ( -0.711 -0.775 -0.434) 1.138 8.340 ( 16.669 3.455 -6.079) 18.076 8.561 ( -14.959 -4.639 9.615) 18.378 9.336 ( -2.203 3.146 3.682) 5.321 9.612 ( 5.380 2.343 -4.291) 7.269 16.664 ( -0.997 0.343 1.095) 1.520 16.792 ( 0.428 -0.636 4.344) 4.411 17.508 ( 0.264 2.213 0.528) 2.291 17.609 ( -2.140 -0.903 -0.682) 2.421 17.651 ( -1.578 -1.796 -0.852) 2.538 18.939 ( 7.623 2.583 -10.073) 12.894 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.016 -9.292 22.703) 24.531 1.367 ( 7.152 3.796 23.207) 24.579 1.746 ( -4.019 13.934 25.010) 28.910 2.800 ( -2.937 -2.382 -8.234) 9.060 2.925 ( 0.626 1.315 -8.140) 8.270 4.120 ( 0.659 -6.276 -21.887) 22.778 5.220 ( -0.187 -2.652 -7.389) 7.853 5.436 ( -0.389 6.986 -5.382) 8.827 6.132 ( -0.671 -5.455 -3.499) 6.515 6.582 ( 0.118 -2.484 0.089) 2.488 6.745 ( 1.157 5.053 -0.101) 5.185 7.225 ( -4.060 -7.702 16.957) 19.062 7.359 ( 8.414 -6.670 11.054) 15.410 7.779 ( -4.330 16.304 9.625) 19.422 8.062 ( -0.636 3.737 1.401) 4.041 9.145 ( -5.777 -5.418 -10.465) 13.124 9.315 ( 2.845 1.273 -3.803) 4.917 9.707 ( 2.991 -13.250 -4.240) 14.230 16.684 ( -1.773 0.146 -0.489) 1.846 16.708 ( 3.381 2.428 -0.514) 4.194 17.446 ( 1.441 0.580 1.360) 2.065 17.487 ( -0.717 2.698 2.916) 4.036 17.591 ( -0.980 2.668 0.836) 2.963 19.464 ( -0.987 -10.300 0.424) 10.356 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 7.086 -2.387 15.268) 17.001 1.665 ( 9.153 3.239 16.445) 19.098 1.951 ( -1.065 10.178 19.299) 21.844 2.644 ( -6.227 -2.165 -5.256) 8.432 2.906 ( 0.264 -0.661 -3.169) 3.248 3.912 ( -5.163 -5.338 -18.346) 19.792 5.106 ( -4.911 -1.477 -7.614) 9.180 5.518 ( 6.144 4.363 -5.387) 9.263 6.019 ( -3.204 -6.215 -3.994) 8.052 6.546 ( -2.050 -0.842 2.086) 3.043 6.836 ( 4.107 4.196 -3.125) 6.651 7.144 ( -5.288 -5.073 10.163) 12.529 7.590 ( 15.429 -8.125 14.705) 22.811 7.897 ( -1.747 10.804 6.679) 12.821 8.114 ( -0.425 5.936 2.562) 6.480 8.852 ( -7.644 -14.772 -9.793) 19.301 9.394 ( 2.939 -2.287 3.690) 5.242 9.583 ( -3.254 0.596 -10.431) 10.943 16.650 ( -1.724 -0.247 -0.551) 1.827 16.782 ( 1.791 4.314 -1.166) 4.815 17.482 ( 1.951 0.240 2.288) 3.017 17.535 ( 0.151 2.598 -0.293) 2.619 17.622 ( 2.328 2.190 1.582) 3.566 19.294 ( -5.452 -13.548 0.244) 14.606 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 9.789 2.033 6.602) 11.981 1.826 ( 0.814 -0.404 3.529) 3.644 2.071 ( -2.117 1.962 7.412) 7.954 2.587 ( 1.963 0.836 4.281) 4.783 2.918 ( 1.236 0.919 6.636) 6.813 3.658 ( -9.848 -3.136 -13.813) 17.252 4.977 ( -4.318 -0.664 -6.190) 7.577 5.604 ( 3.009 0.219 -1.396) 3.325 5.897 ( -0.354 -4.810 -7.561) 8.968 6.537 ( -1.179 0.928 3.731) 4.021 6.901 ( 3.242 2.348 -4.956) 6.371 7.098 ( -1.793 -2.174 5.090) 5.818 7.797 ( 7.834 -5.240 9.904) 13.672 8.012 ( 1.621 4.813 2.252) 5.556 8.175 ( 6.128 -3.797 3.568) 8.044 8.586 ( -4.654 -9.706 -4.549) 11.686 9.315 ( -10.494 -0.061 2.254) 10.733 9.581 ( 3.527 5.851 -8.978) 11.282 16.622 ( -0.922 -0.543 -0.384) 1.137 16.823 ( -0.802 3.834 -0.593) 3.962 17.513 ( 0.693 -2.813 -1.686) 3.351 17.552 ( 0.367 5.243 1.198) 5.391 17.708 ( 3.713 1.094 2.908) 4.841 19.073 ( -4.841 -13.711 -3.004) 14.847 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 8.479 1.732 -0.574) 8.673 1.776 ( -2.748 -2.978 -0.611) 4.098 2.005 ( -4.377 -6.502 -1.718) 8.024 2.716 ( 3.631 5.823 5.235) 8.631 3.039 ( 4.508 0.967 12.262) 13.100 3.402 ( -10.968 -0.352 -8.929) 14.148 4.902 ( -2.130 1.105 -1.492) 2.825 5.569 ( -5.095 -4.684 4.528) 8.270 5.864 ( 6.277 -1.214 -12.490) 14.032 6.566 ( -0.285 2.388 4.416) 5.029 6.928 ( 2.584 0.368 -6.337) 6.853 7.099 ( 1.154 -0.598 0.119) 1.305 7.841 ( -0.045 -8.317 1.223) 8.406 7.985 ( 0.584 -2.895 -4.629) 5.491 8.309 ( 6.911 -6.621 3.969) 10.361 8.517 ( 4.258 0.783 2.211) 4.862 9.178 ( -10.956 7.829 0.808) 13.490 9.624 ( 0.941 2.326 -3.514) 4.318 16.609 ( 0.337 -0.895 -0.081) 0.960 16.823 ( -2.361 2.281 0.057) 3.284 17.478 ( 0.067 -1.858 -2.974) 3.508 17.624 ( 1.297 4.990 1.169) 5.286 17.772 ( 0.937 -0.697 5.001) 5.136 18.871 ( -1.368 -11.301 -8.931) 14.469 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 3.411 -4.260 -3.858) 6.684 1.766 ( 2.659 2.029 -1.075) 3.513 1.840 ( -3.563 -10.290 -0.453) 10.899 2.800 ( -2.907 7.054 -1.845) 7.849 3.113 ( -1.763 0.122 -5.044) 5.345 3.284 ( -1.224 -0.070 10.629) 10.700 4.920 ( 0.441 2.913 5.616) 6.342 5.463 ( -5.360 -3.720 4.879) 8.148 5.894 ( 6.375 -0.116 -11.663) 13.292 6.613 ( -0.421 2.733 4.586) 5.355 6.915 ( 2.475 -2.366 -9.611) 10.203 7.100 ( 0.864 -2.264 -3.359) 4.142 7.717 ( 1.896 -10.385 -6.334) 12.311 7.997 ( 1.802 0.056 0.846) 1.992 8.233 ( -8.655 2.260 -8.963) 12.663 8.726 ( 16.451 -5.285 6.709) 18.536 9.134 ( -7.884 11.767 3.801) 14.665 9.608 ( -2.825 -0.636 0.671) 2.973 16.616 ( 1.751 -1.341 0.350) 2.233 16.795 ( -2.955 0.721 0.740) 3.130 17.457 ( 1.267 -1.011 -3.016) 3.424 17.690 ( -0.054 5.618 0.673) 5.658 17.779 ( -2.157 -2.832 6.756) 7.636 18.731 ( 3.118 -6.972 -14.797) 16.652 ======================= Grid point 339 (184/294) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -6.193 -7.282 -6.143) 11.363 1.767 ( 5.331 -4.624 0.523) 7.076 1.869 ( 6.035 0.698 1.704) 6.310 2.721 ( -9.538 5.864 -9.158) 14.465 3.070 ( 2.238 1.912 -7.206) 7.784 3.336 ( -2.403 -3.881 15.127) 15.801 5.019 ( 2.758 1.883 10.348) 10.873 5.416 ( -2.127 1.487 4.176) 4.916 5.929 ( 5.005 1.234 -9.251) 10.590 6.641 ( -1.689 1.225 3.207) 3.826 6.837 ( 1.744 -6.772 -15.216) 16.745 7.047 ( -1.552 -3.202 -0.894) 3.669 7.705 ( 8.641 -2.069 -7.402) 11.565 7.996 ( -8.543 3.734 -7.499) 11.966 8.059 ( -1.579 -0.396 -5.574) 5.807 8.940 ( 9.763 -3.116 2.119) 10.465 9.180 ( -1.143 7.927 7.286) 10.827 9.540 ( -5.388 -2.001 4.148) 7.088 16.643 ( 2.855 -1.843 0.699) 3.469 16.760 ( -2.541 -0.092 2.210) 3.369 17.464 ( 1.871 0.571 -2.997) 3.579 17.724 ( -2.697 3.665 0.438) 4.571 17.741 ( -2.454 -2.768 5.747) 6.835 18.675 ( 6.479 -2.138 -17.184) 18.489 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -9.757 -5.793 -2.210) 11.560 1.862 ( 8.332 0.613 -2.335) 8.674 1.954 ( 1.097 1.239 -2.036) 2.623 2.562 ( -6.555 2.532 -8.093) 10.718 3.127 ( 3.395 0.470 -0.839) 3.528 3.309 ( -2.451 -4.833 12.101) 13.259 5.146 ( 5.076 -0.423 9.371) 10.666 5.461 ( 0.246 5.012 3.158) 5.929 5.974 ( 3.405 3.210 -5.455) 7.188 6.592 ( -0.708 -4.337 -9.049) 10.060 6.722 ( -1.453 -2.384 -4.998) 5.725 7.004 ( -1.539 -1.140 0.996) 2.159 7.765 ( -10.157 1.996 -15.260) 18.439 7.845 ( 11.550 3.591 -8.188) 14.606 8.064 ( 1.220 -0.879 -0.016) 1.504 8.957 ( -6.059 -0.109 0.858) 6.121 9.321 ( 8.154 -1.949 4.723) 9.622 9.478 ( -4.277 1.641 6.711) 8.125 16.668 ( 1.847 -2.125 -0.004) 2.815 16.754 ( -0.178 -0.107 5.196) 5.200 17.489 ( 1.774 1.955 -2.892) 3.916 17.666 ( -2.872 -3.711 1.611) 4.961 17.735 ( -3.060 3.063 1.371) 4.541 18.695 ( 7.953 1.746 -15.838) 17.808 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -10.762 0.562 6.206) 12.436 1.806 ( -15.630 6.629 -12.903) 21.325 2.021 ( 8.126 0.790 -1.335) 8.272 2.530 ( 5.639 -3.120 -0.148) 6.447 3.037 ( -10.289 -8.412 9.824) 16.527 3.464 ( 15.182 3.165 1.979) 15.634 5.276 ( 6.364 -1.196 6.252) 9.001 5.506 ( 0.018 1.169 -1.196) 1.673 6.021 ( 1.439 2.445 -2.691) 3.910 6.514 ( 2.144 1.751 -11.746) 12.068 6.682 ( -2.969 1.639 4.040) 5.275 6.979 ( -1.879 -0.069 1.339) 2.309 7.531 ( -9.796 1.631 -14.483) 17.561 8.052 ( 11.353 3.173 -5.310) 12.929 8.068 ( 4.489 -0.792 -3.054) 5.487 8.791 ( -12.850 -4.317 3.763) 14.069 9.362 ( 0.998 -4.262 -0.490) 4.405 9.566 ( 3.828 5.609 5.827) 8.948 16.665 ( 0.392 -1.767 0.086) 1.812 16.806 ( 1.601 0.195 6.782) 6.971 17.514 ( 1.377 0.943 -3.149) 3.564 17.600 ( -1.921 -2.255 -0.178) 2.968 17.712 ( -3.733 2.193 1.414) 4.555 18.771 ( 8.394 3.899 -12.740) 15.747 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -6.258 -8.013 20.729) 23.088 1.456 ( -1.047 -1.960 21.739) 21.853 2.023 ( -1.200 9.264 10.705) 14.208 2.790 ( 2.406 7.330 0.967) 7.776 2.903 ( -2.704 -0.352 -7.351) 7.841 3.869 ( 6.903 -8.475 -19.034) 21.950 5.104 ( 4.893 -1.511 -8.918) 10.284 5.538 ( -6.748 5.787 -5.929) 10.685 6.051 ( 2.089 -4.229 -3.496) 5.871 6.525 ( 3.331 -2.815 3.113) 5.358 6.814 ( -3.626 2.627 -0.236) 4.483 7.187 ( 6.450 -3.083 9.190) 11.643 7.408 ( -9.400 -9.625 14.015) 19.427 7.952 ( -1.542 4.606 0.582) 4.892 8.233 ( -5.424 15.530 9.147) 18.822 9.064 ( 2.923 -1.968 -10.865) 11.422 9.234 ( 0.154 -15.464 -12.167) 19.677 9.505 ( 6.311 -1.785 4.538) 7.976 16.667 ( 3.292 1.579 0.296) 3.663 16.713 ( -1.897 -0.367 0.155) 1.938 17.427 ( 0.580 -0.590 -0.384) 0.912 17.565 ( -3.078 2.577 2.309) 4.631 17.648 ( -1.635 2.676 1.314) 3.400 19.337 ( 3.913 -10.711 -0.949) 11.442 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 1.770 -6.474 18.433) 19.617 1.635 ( 7.537 -1.421 20.150) 21.560 2.119 ( -0.937 4.396 4.296) 6.218 2.746 ( -8.406 0.199 -4.195) 9.397 2.912 ( 0.470 7.015 2.629) 7.506 3.778 ( 2.771 -5.462 -16.382) 17.489 5.092 ( 0.490 -1.150 -8.625) 8.715 5.472 ( -1.248 5.215 -8.645) 10.173 5.982 ( -1.934 -5.893 -3.665) 7.204 6.547 ( 1.063 -2.777 2.196) 3.697 6.827 ( 0.657 3.750 -0.004) 3.808 7.259 ( -6.774 -7.614 14.306) 17.565 7.368 ( 11.380 -7.121 12.081) 18.060 7.974 ( 0.333 2.722 -0.170) 2.748 8.303 ( -7.794 10.637 3.006) 13.525 8.761 ( -6.442 -17.120 -10.675) 21.179 9.297 ( 8.514 1.381 -1.747) 8.801 9.562 ( 0.865 -0.839 -0.837) 1.467 16.677 ( -2.132 -0.070 -0.445) 2.179 16.760 ( 4.486 4.082 -1.119) 6.168 17.444 ( 2.150 -1.117 -0.471) 2.468 17.563 ( -0.768 2.068 2.246) 3.148 17.656 ( -1.299 2.766 1.014) 3.220 19.216 ( -2.131 -16.466 -0.505) 16.611 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 7.906 -1.633 11.026) 13.666 1.814 ( 3.662 -3.255 10.758) 11.821 2.104 ( -2.436 -3.288 -1.308) 4.296 2.626 ( -2.407 -0.608 0.477) 2.528 3.002 ( -1.104 7.230 7.133) 10.216 3.672 ( -3.195 0.115 -11.278) 11.722 5.007 ( -3.717 -0.111 -5.983) 7.044 5.500 ( 5.893 2.971 -9.935) 11.927 5.854 ( -4.016 -6.593 -3.031) 8.293 6.558 ( 1.104 -1.300 3.363) 3.770 6.865 ( 0.839 2.454 -2.554) 3.640 7.172 ( -5.118 -4.465 9.892) 11.999 7.582 ( 14.392 -10.792 14.275) 22.965 8.014 ( 1.755 1.005 -0.635) 2.120 8.140 ( -6.857 -9.827 -9.534) 15.313 8.604 ( -3.481 1.937 2.328) 4.614 9.411 ( 2.473 -0.059 4.148) 4.829 9.538 ( -0.660 4.524 -8.075) 9.279 16.640 ( -2.010 -0.058 -0.535) 2.080 16.847 ( 1.874 4.561 -1.846) 5.265 17.453 ( 1.489 -3.040 -0.520) 3.425 17.603 ( 1.237 3.509 0.248) 3.729 17.684 ( 1.307 2.042 2.156) 3.245 18.987 ( -4.622 -18.888 -1.332) 19.490 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 7.790 0.639 4.000) 8.780 1.792 ( -3.466 -5.095 1.556) 6.356 1.978 ( -4.343 -8.398 -3.757) 10.173 2.700 ( 6.913 1.115 6.798) 9.759 3.070 ( 0.386 0.847 3.533) 3.653 3.548 ( -9.734 6.053 -5.281) 12.621 4.948 ( -1.959 2.471 0.043) 3.153 5.570 ( 5.551 0.924 -6.787) 8.816 5.714 ( -2.367 -5.947 -5.105) 8.187 6.600 ( 1.595 0.456 4.452) 4.751 6.863 ( 0.173 0.063 -5.325) 5.328 7.128 ( -2.713 -2.120 6.259) 7.144 7.701 ( 3.881 -17.110 3.418) 17.875 7.890 ( 2.640 -6.212 -5.228) 8.538 8.135 ( 8.291 -2.179 3.353) 9.205 8.591 ( -5.130 5.579 -0.068) 7.580 9.398 ( -7.110 4.955 3.627) 9.395 9.575 ( 4.184 2.712 -6.008) 7.808 16.610 ( -1.256 -0.168 -0.388) 1.326 16.877 ( -1.438 3.212 -1.086) 3.683 17.431 ( 0.562 -3.364 -1.453) 3.707 17.672 ( 1.370 6.340 0.581) 6.512 17.750 ( 3.390 -0.227 3.097) 4.597 18.730 ( -3.292 -18.123 -5.087) 19.109 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 2.853 -0.338 -0.425) 2.904 1.719 ( -0.156 -5.432 -0.806) 5.494 1.809 ( -3.200 -8.005 0.294) 8.626 2.845 ( 3.407 3.385 0.296) 4.812 3.068 ( 1.862 -5.190 -2.005) 5.867 3.429 ( -9.567 5.958 0.966) 11.312 4.997 ( -0.042 5.346 7.954) 9.584 5.546 ( -5.310 -3.257 4.825) 7.879 5.691 ( 9.105 0.162 -14.202) 16.871 6.658 ( 1.129 0.974 3.877) 4.154 6.807 ( -0.550 -2.543 -8.434) 8.826 7.102 ( -2.094 -2.141 3.128) 4.331 7.544 ( 1.670 -12.297 -6.872) 14.186 7.944 ( 4.877 -2.254 2.234) 5.818 8.259 ( 4.955 -2.449 -0.794) 5.584 8.557 ( 0.379 1.056 -0.100) 1.126 9.369 ( -6.696 9.000 2.524) 11.498 9.611 ( 1.392 -0.425 -1.354) 1.988 16.595 ( -0.092 -0.371 -0.136) 0.406 16.856 ( -3.140 1.299 0.240) 3.407 17.408 ( 1.083 -2.006 -1.450) 2.702 17.756 ( 0.082 6.968 1.784) 7.193 17.804 ( 1.251 -1.733 4.638) 5.107 18.515 ( 1.679 -13.704 -11.576) 18.017 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -4.107 -0.219 -2.778) 4.964 1.638 ( 3.901 -7.401 1.023) 8.429 1.807 ( 3.674 -2.360 3.996) 5.919 2.844 ( -3.938 2.890 -7.603) 9.037 3.013 ( -1.096 -0.485 -8.165) 8.252 3.391 ( -1.479 -2.649 8.661) 9.177 5.095 ( -0.839 2.796 12.249) 12.592 5.490 ( -2.477 0.663 3.581) 4.405 5.782 ( 8.532 3.495 -9.333) 13.119 6.620 ( -1.400 -6.806 -10.324) 12.445 6.768 ( -0.721 2.894 1.513) 3.344 7.054 ( -2.033 -3.033 1.413) 3.915 7.507 ( 7.362 -3.710 -6.971) 10.796 8.002 ( 2.970 -1.059 1.490) 3.487 8.165 ( -10.305 4.058 -11.873) 16.237 8.683 ( 13.964 -6.882 5.481) 16.505 9.367 ( -5.667 8.369 1.752) 10.258 9.598 ( -1.741 -1.972 2.607) 3.704 16.599 ( 1.220 -0.685 0.179) 1.411 16.816 ( -3.046 -0.014 1.943) 3.613 17.415 ( 2.086 -0.422 -1.472) 2.587 17.791 ( -3.014 -4.310 6.813) 8.606 17.813 ( -2.099 5.884 0.400) 6.260 18.426 ( 8.145 -4.921 -15.861) 18.496 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -7.649 1.214 1.115) 7.825 1.721 ( 8.271 -0.994 0.087) 8.331 1.883 ( 5.494 -1.647 2.409) 6.221 2.694 ( -11.011 4.025 -11.270) 16.262 3.008 ( 6.815 0.390 -5.924) 9.038 3.370 ( -3.087 -8.817 11.390) 14.731 5.159 ( 0.136 -0.388 10.478) 10.486 5.500 ( 0.205 1.132 -0.409) 1.221 5.911 ( 5.792 5.524 -3.109) 8.586 6.471 ( -0.356 -3.280 -12.315) 12.750 6.790 ( -3.031 3.825 3.831) 6.204 7.015 ( -0.646 -1.882 1.169) 2.307 7.594 ( 10.361 -0.510 -9.149) 13.832 7.942 ( -11.827 6.273 -14.075) 19.424 8.044 ( 0.946 0.160 1.535) 1.811 8.854 ( 11.368 -8.343 2.636) 14.346 9.348 ( -4.789 2.717 2.897) 6.221 9.572 ( -2.173 0.196 4.798) 5.271 16.619 ( 1.940 -1.123 0.327) 2.266 16.792 ( -1.375 -0.423 3.873) 4.131 17.442 ( 2.487 0.027 -2.258) 3.360 17.710 ( -4.638 -3.333 1.937) 6.031 17.820 ( -2.708 2.543 1.796) 4.126 18.485 ( 9.906 3.322 -14.160) 17.597 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -7.896 7.881 7.926) 13.685 1.847 ( 7.401 1.267 -3.311) 8.207 1.949 ( 1.967 1.655 -3.406) 4.267 2.498 ( -7.414 1.661 -8.329) 11.274 3.124 ( 2.741 -1.010 0.892) 3.054 3.287 ( 2.583 -10.551 10.716) 15.259 5.226 ( 2.919 -0.594 5.448) 6.209 5.479 ( 0.030 -3.222 -5.092) 6.026 5.981 ( 2.312 -0.165 -3.578) 4.263 6.474 ( 2.455 8.680 -3.446) 9.657 6.797 ( -3.084 5.540 4.771) 7.935 7.008 ( -0.508 0.252 1.485) 1.590 7.603 ( -4.083 1.286 -16.928) 17.460 7.854 ( 4.960 6.998 -7.523) 11.409 8.063 ( 0.141 -0.102 1.436) 1.447 8.871 ( -1.110 -8.010 -0.214) 8.089 9.311 ( -1.415 -4.026 4.222) 6.003 9.611 ( 1.476 3.775 4.628) 6.152 16.634 ( 1.147 -1.515 0.146) 1.906 16.817 ( 1.471 -0.323 5.383) 5.590 17.454 ( 1.910 -1.829 -3.819) 4.645 17.636 ( -2.777 0.244 -0.057) 2.788 17.797 ( -3.504 0.760 2.147) 4.179 18.614 ( 8.703 7.641 -11.451) 16.287 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -10.308 -4.449 14.471) 18.315 1.602 ( -7.339 -5.616 16.585) 18.986 2.052 ( 5.334 1.577 -0.336) 5.573 2.825 ( 3.625 6.936 -3.639) 8.631 2.979 ( -4.146 6.749 7.277) 10.756 3.549 ( 9.618 -9.450 -15.014) 20.180 4.966 ( 4.223 -1.186 -7.495) 8.684 5.633 ( -2.568 1.750 -2.629) 4.070 5.969 ( 1.335 -1.106 -5.067) 5.356 6.488 ( 0.766 -1.987 4.071) 4.594 6.882 ( -3.010 0.616 -0.236) 3.082 7.145 ( 1.492 1.178 1.160) 2.227 7.559 ( -10.125 -9.466 14.001) 19.702 7.995 ( -1.482 1.483 -1.385) 2.512 8.534 ( -6.485 15.700 7.437) 18.544 8.880 ( 8.935 -22.383 -12.684) 27.235 8.933 ( 6.841 2.743 -6.764) 10.003 9.524 ( -1.898 1.366 2.825) 3.667 16.643 ( 1.526 1.065 0.770) 2.013 16.739 ( -1.265 -0.392 1.093) 1.717 17.418 ( -1.194 -0.930 -1.821) 2.367 17.628 ( -0.162 2.225 0.411) 2.268 17.709 ( -2.983 0.676 3.211) 4.435 19.150 ( 5.474 -9.408 -4.481) 11.771 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -6.071 -6.893 18.048) 20.251 1.637 ( 3.070 -3.931 18.489) 19.150 2.127 ( 2.492 1.099 -2.058) 3.413 2.795 ( -4.431 -2.515 -6.608) 8.344 3.051 ( -1.828 8.016 4.797) 9.519 3.563 ( 8.571 -1.387 -11.105) 14.096 4.988 ( 4.338 -0.287 -6.958) 8.205 5.540 ( -6.807 3.594 -8.876) 11.748 5.933 ( -0.352 -3.647 -3.807) 5.284 6.508 ( 1.690 -3.935 4.409) 6.146 6.863 ( -0.938 2.108 0.794) 2.440 7.221 ( 6.266 -3.902 8.072) 10.938 7.404 ( -8.807 -8.210 13.637) 18.192 7.987 ( -0.319 1.700 -1.194) 2.101 8.429 ( -8.447 -15.674 -14.925) 23.234 8.697 ( -1.950 2.100 4.032) 4.947 9.149 ( 10.837 5.191 -3.259) 12.451 9.557 ( 0.685 1.380 2.810) 3.205 16.690 ( 1.373 0.368 -0.909) 1.687 16.740 ( 0.827 3.416 0.965) 3.645 17.403 ( 1.008 -0.501 -1.550) 1.915 17.626 ( -2.810 1.404 1.467) 3.467 17.694 ( -0.807 0.380 1.920) 2.117 19.059 ( 1.057 -16.612 -3.201) 16.951 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 2.353 -3.586 14.590) 15.207 1.774 ( 5.233 -5.725 15.042) 16.924 2.110 ( -2.733 -1.392 -3.282) 4.492 2.645 ( -4.408 -4.182 -3.270) 6.900 3.078 ( 0.097 -0.688 -1.727) 1.862 3.664 ( 3.426 9.972 -4.420) 11.433 5.004 ( 0.985 0.951 -4.349) 4.559 5.426 ( -2.324 2.837 -11.642) 12.206 5.847 ( -3.165 -4.782 -2.279) 6.171 6.525 ( 2.395 -4.274 4.743) 6.819 6.879 ( -0.475 2.262 -0.633) 2.397 7.280 ( -6.483 -7.160 13.198) 16.355 7.365 ( 10.106 -8.132 11.333) 17.225 7.989 ( -1.698 -3.811 -5.589) 6.975 8.047 ( -4.008 -13.937 -10.735) 18.043 8.735 ( -3.691 7.121 4.334) 9.117 9.328 ( 8.328 3.991 -1.889) 9.426 9.576 ( -1.503 2.177 -0.025) 2.646 16.673 ( -1.967 0.282 -0.663) 2.095 16.832 ( 3.848 5.464 -1.574) 6.866 17.406 ( 1.079 -1.579 -1.232) 2.275 17.609 ( -0.656 0.725 1.177) 1.530 17.711 ( 0.325 1.278 2.457) 2.788 18.854 ( -2.713 -20.834 -2.118) 21.116 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 6.748 -1.512 9.116) 11.442 1.797 ( -2.124 -8.269 5.221) 10.007 1.988 ( -6.665 -3.477 -3.024) 8.103 2.621 ( 5.524 -2.540 4.779) 7.734 3.033 ( 0.864 -5.666 -5.610) 8.020 3.747 ( -5.513 13.369 -3.250) 14.821 5.008 ( -0.894 3.662 2.600) 4.580 5.406 ( 5.553 1.922 -13.192) 14.441 5.729 ( -4.800 -5.023 0.335) 6.956 6.569 ( 3.836 -3.265 5.321) 7.327 6.863 ( -2.155 0.535 -2.834) 3.601 7.202 ( -4.619 -4.628 9.676) 11.678 7.480 ( 6.840 -16.451 6.938) 19.119 7.746 ( 1.437 -9.063 -7.672) 11.960 8.054 ( 3.200 0.583 0.137) 3.255 8.735 ( -5.777 5.654 0.354) 8.091 9.466 ( 6.275 2.189 -0.874) 6.703 9.557 ( -3.711 4.342 -1.468) 5.898 16.639 ( -2.242 0.612 -0.496) 2.376 16.912 ( 0.787 5.031 -2.160) 5.532 17.391 ( 0.285 -2.278 -0.718) 2.405 17.647 ( 4.259 1.261 -0.513) 4.472 17.757 ( 0.777 2.539 4.136) 4.915 18.585 ( -4.094 -21.752 -2.420) 22.266 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 5.244 -1.957 4.750) 7.341 1.681 ( -2.723 -8.171 2.326) 8.921 1.828 ( -6.929 -3.245 -1.402) 7.779 2.771 ( 8.506 0.129 3.515) 9.205 2.950 ( 1.872 -8.433 -5.051) 10.007 3.675 ( -12.669 9.456 -5.747) 16.821 5.101 ( 0.871 6.377 11.022) 12.763 5.467 ( 9.134 1.818 -13.872) 16.708 5.623 ( -4.516 -2.743 3.566) 6.374 6.628 ( 2.735 -3.800 3.007) 5.564 6.795 ( -2.612 -0.559 -3.466) 4.375 7.146 ( -3.669 -4.252 6.111) 8.300 7.368 ( 1.812 -11.410 -5.564) 12.823 7.813 ( 9.518 -5.225 5.318) 12.090 8.128 ( 6.022 -1.231 1.161) 6.255 8.657 ( -7.980 4.165 -4.053) 9.872 9.529 ( -3.051 5.294 -4.074) 7.344 9.558 ( 2.750 0.539 2.766) 3.938 16.611 ( -1.727 0.739 -0.304) 1.903 16.921 ( -2.762 2.765 -0.800) 3.989 17.376 ( 0.449 -1.382 -0.053) 1.454 17.748 ( 6.310 0.281 -0.165) 6.318 17.829 ( 0.665 5.983 4.255) 7.372 18.317 ( -2.246 -19.271 -5.118) 20.065 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 3.069 -4.779 2.597) 6.245 1.614 ( -4.073 -0.524 0.881) 4.200 1.746 ( 1.546 -3.525 3.790) 5.402 2.797 ( 0.595 -3.264 -9.098) 9.685 2.969 ( 5.060 -2.659 1.582) 5.931 3.504 ( -10.944 3.702 -3.964) 12.214 5.213 ( -1.557 1.748 12.612) 12.828 5.498 ( 1.470 -3.134 -4.223) 5.460 5.673 ( 6.677 9.060 -0.896) 11.290 6.547 ( -3.597 -5.758 -7.277) 9.952 6.811 ( 1.871 2.853 3.661) 5.004 7.070 ( -3.192 -4.563 2.250) 6.006 7.336 ( 5.424 -3.115 -4.508) 7.710 7.930 ( 6.103 -2.931 3.675) 7.704 8.210 ( 3.227 -0.431 -2.214) 3.937 8.552 ( -2.806 0.294 -2.495) 3.767 9.502 ( -3.596 4.292 -2.802) 6.261 9.600 ( 0.815 -1.032 2.924) 3.206 16.596 ( -0.754 0.685 -0.111) 1.024 16.880 ( -3.753 0.331 1.064) 3.915 17.383 ( 1.113 -0.175 0.187) 1.142 17.810 ( 1.269 -3.513 5.443) 6.602 17.901 ( -2.808 4.199 -0.670) 5.096 18.170 ( 7.382 -6.213 -8.479) 12.845 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -1.052 -2.870 -0.408) 3.084 1.623 ( 3.025 4.962 2.685) 6.402 1.803 ( 4.386 -2.972 4.411) 6.894 2.741 ( 1.410 -2.365 -6.332) 6.905 2.956 ( -3.721 2.449 -6.240) 7.667 3.390 ( -3.464 -4.203 3.580) 6.517 5.235 ( -2.551 -1.884 9.650) 10.158 5.466 ( 0.586 -3.376 -2.685) 4.353 5.861 ( 5.762 5.939 -1.956) 8.503 6.440 ( -1.274 4.389 -5.266) 6.972 6.887 ( -0.384 4.690 3.575) 5.910 7.004 ( -0.798 -3.817 0.909) 4.004 7.402 ( 7.422 -0.217 -4.842) 8.864 7.992 ( 1.892 -0.406 -0.396) 1.975 8.146 ( -8.698 7.149 -8.608) 14.173 8.600 ( 10.737 -8.159 4.246) 14.138 9.454 ( -4.450 1.270 -0.756) 4.689 9.607 ( -0.238 -1.182 2.765) 3.016 16.598 ( 0.366 0.461 0.048) 0.590 16.833 ( -2.488 -1.332 2.496) 3.768 17.400 ( 1.255 -0.383 -0.944) 1.616 17.759 ( -4.498 -4.398 1.436) 6.453 17.866 ( -0.356 -0.959 0.202) 1.042 18.309 ( 10.129 8.506 -6.795) 14.870 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.751 3.217 1.011) 3.455 1.752 ( 4.372 5.212 -1.650) 7.000 1.866 ( 5.320 -1.674 1.014) 5.668 2.653 ( -10.239 4.415 -5.442) 12.408 2.972 ( 9.134 0.550 -1.662) 9.300 3.302 ( -4.798 -10.354 8.652) 14.320 5.224 ( -0.662 -2.917 2.379) 3.822 5.411 ( -0.621 -5.047 -2.494) 5.664 5.915 ( 2.530 -0.266 -4.174) 4.888 6.545 ( 1.749 13.062 1.967) 13.325 6.906 ( -1.999 3.302 1.610) 4.182 7.018 ( 2.209 3.042 0.987) 3.886 7.482 ( 5.510 0.329 -7.293) 9.146 7.941 ( -6.696 8.263 -9.989) 14.591 8.090 ( -2.032 3.756 1.252) 4.450 8.707 ( 9.188 -10.594 2.525) 14.249 9.374 ( -5.552 -2.408 3.188) 6.840 9.621 ( 1.735 -0.196 1.513) 2.311 16.611 ( 0.731 0.004 -0.018) 0.731 16.815 ( 0.367 -1.996 3.081) 3.689 17.396 ( 0.806 -1.600 -2.748) 3.280 17.678 ( -2.600 -0.072 -1.003) 2.787 17.849 ( -1.627 -1.838 2.736) 3.676 18.516 ( 8.209 12.281 -6.769) 16.249 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -9.890 -2.454 7.970) 12.937 1.750 ( -7.557 -5.298 7.594) 11.952 1.960 ( 6.132 0.891 1.391) 6.350 2.788 ( 4.007 4.381 -4.625) 7.526 3.084 ( 1.440 -4.457 -2.200) 5.175 3.304 ( 4.252 0.862 -0.836) 4.419 4.886 ( 1.267 0.590 -2.463) 2.832 5.606 ( 5.007 -2.488 3.322) 6.504 5.937 ( -1.533 0.835 -7.771) 7.965 6.515 ( -2.378 0.756 2.158) 3.299 6.919 ( -1.838 -0.638 0.086) 1.947 7.167 ( -2.246 4.432 -5.531) 7.435 7.712 ( -9.384 -7.130 10.979) 16.107 8.016 ( -0.807 0.769 -1.899) 2.202 8.447 ( 11.783 -17.867 -12.820) 24.949 8.706 ( -1.421 0.135 -6.870) 7.017 8.928 ( -1.022 13.015 7.649) 15.131 9.570 ( -0.879 -0.829 3.000) 3.234 16.647 ( -0.201 0.903 0.611) 1.108 16.756 ( 0.012 -0.012 2.176) 2.176 17.427 ( -2.177 -0.514 -2.518) 3.368 17.623 ( 1.228 -0.341 -0.184) 1.288 17.781 ( -1.960 0.571 4.198) 4.668 18.954 ( 3.904 -7.230 -9.527) 12.580 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -9.596 -5.525 13.456) 17.426 1.673 ( -1.591 -5.590 12.769) 14.030 2.075 ( 4.423 2.815 -0.369) 5.256 2.793 ( -1.774 -1.566 -5.924) 6.379 3.030 ( 3.254 -8.961 -6.576) 11.581 3.442 ( 7.033 10.051 -0.852) 12.296 4.914 ( 2.199 1.990 -0.970) 3.120 5.608 ( -3.296 0.348 -4.223) 5.368 5.889 ( -0.182 -0.889 -5.452) 5.527 6.492 ( -1.237 -2.638 3.113) 4.264 6.895 ( -0.953 0.449 0.774) 1.307 7.170 ( 1.601 0.145 1.009) 1.898 7.555 ( -9.686 -7.836 12.751) 17.828 8.004 ( -0.650 1.323 -1.239) 1.926 8.195 ( -1.786 -25.873 -15.178) 30.050 8.765 ( 4.347 5.397 -3.261) 7.659 9.094 ( 2.854 11.209 3.502) 12.085 9.585 ( -0.017 0.995 3.461) 3.602 16.660 ( 1.467 0.204 -0.805) 1.686 16.782 ( -0.383 3.166 2.415) 4.000 17.392 ( -0.745 0.500 -1.763) 1.978 17.645 ( 1.678 -0.634 0.829) 1.976 17.749 ( -4.150 -0.189 2.668) 4.937 18.854 ( 2.178 -14.695 -7.339) 16.569 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -4.438 -3.933 13.466) 14.714 1.724 ( 3.991 -6.733 13.671) 15.753 2.124 ( -0.481 1.134 -1.014) 1.595 2.663 ( -5.588 -4.975 -3.894) 8.434 2.958 ( 3.774 -9.222 -7.634) 12.553 3.673 ( 8.271 14.007 -3.265) 16.591 4.980 ( 2.324 3.522 2.103) 4.715 5.482 ( -7.948 2.636 -9.858) 12.934 5.835 ( -1.604 -2.540 -3.571) 4.667 6.470 ( 1.332 -6.645 5.333) 8.624 6.902 ( -0.268 1.367 0.062) 1.394 7.229 ( 5.294 -4.996 7.203) 10.240 7.414 ( -8.294 -7.081 12.188) 16.354 7.840 ( -3.869 -20.571 -13.672) 25.001 8.007 ( 0.168 1.538 -0.734) 1.713 8.846 ( 0.433 4.910 0.355) 4.942 9.251 ( 5.158 7.262 -0.931) 8.955 9.614 ( -0.224 1.911 1.982) 2.763 16.679 ( 1.028 0.092 -1.461) 1.789 16.835 ( 1.267 5.698 0.059) 5.837 17.383 ( -0.046 0.074 -1.054) 1.058 17.656 ( -2.635 0.813 1.113) 2.973 17.715 ( 0.714 -1.287 3.918) 4.185 18.671 ( -0.657 -19.758 -4.836) 20.352 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 2.010 -3.409 10.125) 10.871 1.773 ( 0.696 -7.945 9.136) 12.128 2.065 ( -5.956 -1.421 -1.178) 6.236 2.553 ( 0.738 -4.347 1.325) 4.603 2.895 ( 3.060 -7.463 -7.304) 10.882 3.876 ( 2.866 13.975 -6.934) 15.862 5.072 ( 1.083 5.001 7.138) 8.783 5.340 ( -3.965 3.024 -11.173) 12.235 5.753 ( -3.123 -3.455 -1.412) 4.866 6.486 ( 4.536 -7.726 7.296) 11.554 6.888 ( -2.037 0.447 -2.609) 3.340 7.281 ( 1.418 -12.999 10.984) 17.077 7.309 ( -3.299 -5.344 5.899) 8.616 7.600 ( 1.120 -8.637 -6.721) 11.001 8.028 ( 1.225 1.268 -0.299) 1.788 8.864 ( -3.793 3.918 0.531) 5.479 9.378 ( 5.640 4.268 -3.608) 7.940 9.631 ( -1.389 2.678 1.099) 3.211 16.673 ( -1.159 0.638 -0.810) 1.551 16.920 ( 2.633 6.552 -3.148) 7.732 17.373 ( -0.194 -0.667 -0.427) 0.815 17.621 ( -1.142 -0.094 0.288) 1.182 17.781 ( 2.583 1.378 6.810) 7.413 18.427 ( -2.890 -21.497 -2.658) 21.852 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 5.724 -4.525 7.246) 10.283 1.689 ( -5.541 -9.604 6.298) 12.752 1.927 ( -7.183 -0.478 -2.610) 7.658 2.639 ( 9.547 -1.796 4.922) 10.890 2.824 ( 0.516 -5.995 -6.067) 8.545 3.894 ( -8.126 9.907 -11.018) 16.899 5.208 ( 1.815 6.236 13.589) 15.062 5.305 ( 3.897 3.179 -11.256) 12.329 5.672 ( -2.732 -2.536 0.944) 3.845 6.544 ( 5.083 -7.546 7.272) 11.647 6.815 ( -3.347 -0.970 -4.336) 5.563 7.183 ( -2.447 -10.621 3.330) 11.396 7.252 ( -1.069 -3.500 2.583) 4.480 7.648 ( 8.785 -3.907 5.342) 10.999 8.066 ( 2.526 0.566 0.204) 2.597 8.801 ( -7.524 3.445 -2.576) 8.667 9.467 ( 4.600 2.198 -4.381) 6.722 9.632 ( -2.145 2.228 1.120) 3.289 16.651 ( -2.054 1.200 -0.413) 2.414 16.975 ( -0.599 4.714 -3.390) 5.837 17.366 ( 0.043 -0.278 0.554) 0.621 17.643 ( 4.580 -0.190 -1.570) 4.845 17.892 ( 2.263 4.983 8.249) 9.899 18.169 ( -3.641 -19.955 -1.094) 20.314 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 1.961 -4.776 4.397) 6.781 1.578 ( 2.062 -9.781 8.284) 12.982 1.817 ( -6.207 3.049 -2.541) 7.367 2.729 ( -1.833 -1.821 -5.953) 6.489 2.827 ( 10.550 -2.892 4.484) 11.823 3.715 ( -13.526 5.685 -11.210) 18.465 5.287 ( -0.029 0.294 1.076) 1.116 5.416 ( 4.109 1.650 5.258) 6.874 5.672 ( 3.202 4.114 0.566) 5.244 6.534 ( -2.192 -4.351 0.518) 4.900 6.793 ( 3.345 0.121 1.336) 3.604 7.082 ( -2.293 -5.733 0.822) 6.229 7.252 ( 1.488 -0.136 2.295) 2.739 7.798 ( 9.256 -3.886 6.837) 12.145 8.124 ( 4.339 -0.420 0.874) 4.446 8.669 ( -9.595 3.796 -5.970) 11.921 9.511 ( 1.772 0.948 -3.602) 4.125 9.618 ( -1.465 -0.122 0.884) 1.715 16.629 ( -1.949 1.467 -0.263) 2.454 16.948 ( -3.767 0.848 -1.414) 4.112 17.376 ( 0.355 0.248 1.102) 1.184 17.727 ( 7.038 -0.993 -2.088) 7.408 17.932 ( -4.454 -9.643 -3.647) 11.231 18.060 ( 4.488 4.886 9.746) 11.790 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 1.844 -7.086 1.137) 7.409 1.655 ( 4.812 -2.694 8.475) 10.111 1.774 ( -1.296 4.105 -1.997) 4.746 2.673 ( -0.116 0.104 -1.140) 1.151 2.950 ( 4.246 -0.737 -0.841) 4.391 3.491 ( -10.979 1.871 -7.091) 13.203 5.267 ( -0.859 -2.832 -1.745) 3.436 5.452 ( -1.701 -3.369 8.764) 9.542 5.800 ( 5.466 3.495 -3.586) 7.413 6.504 ( -0.652 7.377 0.115) 7.407 6.885 ( 5.323 0.354 1.839) 5.643 7.003 ( -2.734 -3.694 0.048) 4.596 7.326 ( 3.386 3.900 3.525) 6.253 7.929 ( 6.025 -1.873 4.175) 7.566 8.202 ( 4.234 0.809 0.051) 4.311 8.523 ( -6.581 1.759 -5.267) 8.610 9.499 ( -1.607 -0.066 -1.843) 2.446 9.596 ( 0.109 -3.012 0.172) 3.018 16.615 ( -1.230 1.453 -0.222) 1.916 16.873 ( -3.611 -2.489 0.202) 4.391 17.384 ( 0.022 -0.361 0.015) 0.361 17.779 ( -2.888 -5.136 -3.167) 6.689 17.804 ( 4.551 -2.487 1.404) 5.373 18.272 ( 6.005 12.285 4.332) 14.344 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 5.215 -4.330 -1.481) 6.938 1.758 ( 1.267 5.832 -4.780) 7.646 1.797 ( 3.873 -1.506 5.296) 6.732 2.739 ( 3.390 4.536 5.178) 7.673 2.932 ( -3.151 1.366 -4.186) 5.414 3.334 ( -5.546 -4.265 -0.136) 6.998 5.186 ( -1.644 -5.884 -5.346) 8.118 5.426 ( -3.557 -3.500 8.292) 9.678 5.852 ( 3.029 1.232 -3.781) 4.999 6.643 ( 3.047 12.237 1.922) 12.756 6.926 ( -1.109 -4.226 -0.343) 4.383 6.981 ( 5.120 3.766 -4.484) 7.779 7.455 ( 1.722 7.622 6.304) 10.041 7.993 ( 0.853 1.469 -1.069) 2.007 8.236 ( -5.021 10.755 -4.033) 12.536 8.483 ( 6.591 -8.525 2.187) 10.995 9.445 ( -3.812 -1.975 1.410) 4.519 9.570 ( 1.800 -4.548 -1.233) 5.044 16.613 ( -0.402 1.127 -0.356) 1.249 16.806 ( -1.158 -3.843 0.783) 4.089 17.371 ( -0.360 -0.375 -1.151) 1.263 17.705 ( -1.977 -0.642 -1.388) 2.499 17.842 ( 1.728 -2.822 2.478) 4.134 18.507 ( 5.978 14.582 -0.373) 15.764 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -5.392 -4.579 3.056) 7.706 1.810 ( -2.520 -0.024 -3.521) 4.330 1.924 ( 2.639 2.531 5.307) 6.445 2.715 ( 5.254 1.035 -5.982) 8.029 2.933 ( -0.731 -8.615 -6.514) 10.826 3.335 ( 1.699 1.545 8.125) 8.444 4.920 ( -2.519 3.903 3.311) 5.705 5.505 ( 7.109 -2.381 5.703) 9.420 5.924 ( -2.015 -0.333 -7.990) 8.247 6.582 ( -2.427 2.315 1.035) 3.511 6.931 ( -1.017 -1.291 -0.621) 1.757 7.220 ( -3.328 6.383 -11.321) 13.416 7.833 ( -6.029 -4.088 2.398) 7.669 7.959 ( 6.575 -6.362 -6.358) 11.141 8.114 ( 2.715 -4.864 -6.588) 8.627 8.644 ( -1.858 -7.381 -3.388) 8.331 9.154 ( -3.934 13.027 7.142) 15.369 9.565 ( 2.142 -2.358 4.164) 5.242 16.667 ( -1.436 0.079 -0.357) 1.482 16.766 ( 1.436 1.236 3.882) 4.319 17.439 ( -1.369 -0.592 -2.285) 2.729 17.601 ( -0.249 -1.513 -0.410) 1.587 17.821 ( 0.754 0.465 4.492) 4.578 18.798 ( 0.114 -4.217 -14.341) 14.948 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -7.326 -4.409 7.900) 11.641 1.714 ( -3.299 -5.982 4.027) 7.930 2.046 ( 4.124 4.690 0.716) 6.286 2.704 ( 2.544 -7.247 -8.632) 11.554 2.885 ( 1.763 -2.465 -1.571) 3.414 3.424 ( 4.553 4.343 0.405) 6.305 4.951 ( -1.055 4.889 4.547) 6.760 5.599 ( 2.738 -1.492 2.815) 4.201 5.858 ( -0.727 0.017 -7.099) 7.136 6.536 ( -4.674 -0.015 -1.337) 4.861 6.908 ( -0.347 -0.645 0.342) 0.808 7.173 ( -1.345 2.396 -4.877) 5.598 7.685 ( -6.412 -6.510 0.084) 9.138 7.895 ( 0.297 -18.622 -1.381) 18.675 8.044 ( -2.421 -0.167 -2.070) 3.190 8.653 ( 7.918 2.573 -6.670) 10.668 9.239 ( -2.883 9.605 5.407) 11.393 9.602 ( 1.119 -0.059 3.538) 3.711 16.642 ( -0.220 -0.721 -1.035) 1.281 16.829 ( 0.627 3.096 3.782) 4.928 17.408 ( -1.263 0.865 -1.511) 2.151 17.605 ( 2.108 -1.347 1.543) 2.939 17.823 ( -2.970 -0.184 2.695) 4.015 18.657 ( 0.264 -10.608 -12.086) 16.084 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -7.436 -3.131 8.968) 12.063 1.683 ( 1.902 -5.953 8.196) 10.307 2.116 ( 2.114 0.082 -2.147) 3.014 2.642 ( 1.215 -5.729 -3.122) 6.637 2.821 ( -2.870 -5.587 -2.439) 6.738 3.596 ( 10.845 8.614 -5.543) 14.918 5.032 ( 0.639 5.729 7.598) 9.537 5.579 ( -5.381 2.371 -3.689) 6.942 5.809 ( -0.611 -1.053 -6.025) 6.147 6.436 ( -2.781 -6.440 1.043) 7.092 6.912 ( 0.184 0.486 0.451) 0.688 7.169 ( 1.749 -2.174 1.208) 3.040 7.525 ( -4.853 -6.382 -2.725) 8.468 7.673 ( -6.100 -17.071 5.381) 18.910 8.024 ( -0.835 1.871 -0.958) 2.262 8.794 ( 8.402 4.097 -4.634) 10.433 9.301 ( -1.453 6.687 2.243) 7.202 9.639 ( 0.601 1.364 2.059) 2.542 16.643 ( 1.672 -0.135 -1.663) 2.362 16.880 ( -0.003 4.062 0.962) 4.175 17.393 ( -0.984 0.747 -0.904) 1.531 17.666 ( 3.621 0.110 5.808) 6.846 17.765 ( -5.233 -0.107 1.536) 5.455 18.473 ( -0.577 -15.641 -8.613) 17.865 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -4.079 -3.381 7.280) 9.004 1.736 ( 3.380 -4.766 9.426) 11.090 2.092 ( -1.108 -4.609 -2.772) 5.491 2.542 ( -4.674 -5.802 0.773) 7.490 2.766 ( 2.582 -1.816 -2.630) 4.109 3.822 ( 10.799 9.578 -9.501) 17.281 5.154 ( 1.378 5.359 10.204) 11.607 5.449 ( -10.315 6.154 -7.537) 14.180 5.742 ( -1.345 -3.266 -4.706) 5.884 6.378 ( 3.005 -10.442 6.844) 12.842 6.904 ( -1.508 -0.018 -2.494) 2.914 7.171 ( 1.754 -7.648 1.779) 8.046 7.411 ( -4.149 -3.301 4.592) 7.014 7.500 ( -2.616 -8.696 4.940) 10.338 8.030 ( 0.019 1.545 -0.349) 1.584 8.908 ( 2.806 2.973 -0.632) 4.137 9.347 ( 0.964 4.917 -2.444) 5.575 9.666 ( -0.024 1.538 0.681) 1.682 16.666 ( 1.746 0.430 -1.443) 2.306 16.923 ( 1.348 5.081 -3.372) 6.245 17.378 ( -0.753 0.116 -0.265) 0.807 17.685 ( -5.362 0.213 0.921) 5.445 17.786 ( 4.012 1.997 10.886) 11.772 18.259 ( -1.819 -17.701 -5.089) 18.508 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 1.399 -4.344 7.051) 8.399 1.745 ( -4.979 -7.746 10.319) 13.830 1.967 ( -3.240 -4.372 -6.437) 8.429 2.514 ( 5.555 -3.009 3.497) 7.221 2.784 ( -0.329 2.141 -0.573) 2.241 3.949 ( 2.428 6.913 -14.167) 15.949 5.263 ( 0.695 4.286 -0.475) 4.368 5.357 ( -4.801 7.456 6.735) 11.135 5.664 ( -0.803 -4.081 -3.174) 5.231 6.417 ( 6.705 -9.790 10.630) 15.931 6.831 ( -3.423 -1.236 -5.194) 6.342 7.112 ( -0.182 -6.210 -0.807) 6.265 7.333 ( -6.064 -4.150 11.052) 13.271 7.534 ( 6.382 -0.997 4.712) 7.995 8.049 ( 0.889 1.021 0.148) 1.362 8.916 ( -4.287 1.985 -0.250) 4.731 9.403 ( 3.385 3.827 -4.402) 6.744 9.667 ( -0.963 0.100 -0.667) 1.176 16.679 ( -0.209 0.900 -0.594) 1.098 16.974 ( 2.341 4.651 -6.629) 8.430 17.373 ( -0.255 0.457 0.715) 0.886 17.622 ( -2.670 0.105 0.241) 2.683 17.946 ( 3.576 1.630 16.012) 16.487 18.047 ( -2.503 -13.567 -3.893) 14.335 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 5.577 -4.533 7.777) 10.589 1.566 ( -7.865 -13.093 8.875) 17.665 1.885 ( -2.500 1.235 -5.490) 6.158 2.659 ( 10.543 -1.024 3.543) 11.169 2.781 ( -4.170 5.296 0.834) 6.792 3.853 ( -7.599 2.492 -16.369) 18.218 5.274 ( -0.273 5.322 -7.287) 9.027 5.472 ( 0.529 2.050 16.423) 16.559 5.626 ( 2.958 -1.370 -3.527) 4.803 6.507 ( 4.671 -5.876 10.868) 13.208 6.754 ( -0.406 -0.649 -3.510) 3.593 7.055 ( -0.705 -3.910 -0.592) 4.017 7.300 ( -2.338 0.199 8.582) 8.897 7.679 ( 7.600 -0.532 7.343) 10.581 8.080 ( 2.015 0.401 0.734) 2.182 8.819 ( -8.484 2.727 -3.969) 9.756 9.465 ( 3.006 2.141 -2.627) 4.530 9.627 ( -1.598 -2.450 -2.238) 3.683 16.671 ( -1.595 1.330 -0.329) 2.102 16.978 ( -1.059 0.891 -5.909) 6.069 17.386 ( 0.010 0.985 1.281) 1.616 17.619 ( 2.731 0.082 -1.659) 3.196 17.871 ( -1.905 -12.567 2.326) 12.921 18.141 ( 3.060 8.983 12.574) 15.753 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -2.556 -10.214 3.596) 11.126 1.548 ( 8.343 -8.044 12.321) 16.915 1.836 ( -3.054 4.842 -4.920) 7.548 2.764 ( -4.397 5.626 5.421) 8.965 2.836 ( 7.702 2.377 -1.457) 8.192 3.620 ( -10.084 -0.595 -14.705) 17.840 5.252 ( -2.424 1.455 -5.001) 5.745 5.522 ( -2.259 -3.529 12.346) 13.037 5.710 ( 6.472 2.801 -3.581) 7.910 6.568 ( 0.709 2.856 4.338) 5.242 6.787 ( 5.784 -2.787 1.420) 6.576 7.005 ( -1.590 -3.010 -0.067) 3.405 7.380 ( 2.249 6.694 9.420) 11.773 7.836 ( 6.949 -0.320 7.282) 10.071 8.133 ( 3.800 -0.346 1.755) 4.200 8.669 ( -9.933 4.832 -7.665) 13.445 9.497 ( 0.516 0.349 -0.882) 1.080 9.553 ( -0.782 -5.482 -3.034) 6.314 16.653 ( -1.830 1.482 -0.474) 2.402 16.897 ( -3.602 -3.514 -3.110) 5.916 17.394 ( -0.861 0.746 0.801) 1.392 17.678 ( 5.403 0.468 -3.554) 6.484 17.779 ( -0.845 -6.416 3.859) 7.535 18.358 ( 3.449 12.070 10.340) 16.263 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 3.112 -9.432 1.775) 10.089 1.698 ( 9.236 -2.510 6.290) 11.453 1.810 ( -3.374 3.921 -1.702) 5.445 2.813 ( -1.327 8.531 6.117) 10.581 2.928 ( 2.503 1.878 -2.213) 3.832 3.386 ( -7.259 -3.469 -10.286) 13.059 5.162 ( -4.797 -2.181 -4.426) 6.882 5.510 ( -3.359 -3.787 10.181) 11.370 5.799 ( 3.956 3.021 -2.181) 5.434 6.668 ( 4.949 7.221 -1.567) 8.894 6.849 ( 4.471 -4.730 0.462) 6.525 6.950 ( -1.800 -0.832 -1.565) 2.526 7.579 ( 2.893 11.564 11.588) 16.625 7.963 ( 4.155 0.649 4.292) 6.009 8.223 ( 6.889 -1.782 3.847) 8.089 8.524 ( -9.182 8.416 -8.658) 15.169 9.462 ( 0.246 -4.235 -4.999) 6.556 9.490 ( -1.147 -5.370 2.451) 6.013 16.637 ( -1.367 1.226 -0.771) 1.992 16.792 ( -2.424 -4.880 -0.977) 5.536 17.387 ( -1.260 1.386 0.356) 1.906 17.710 ( -0.111 -0.279 -1.709) 1.736 17.782 ( 3.634 -3.085 2.728) 5.492 18.580 ( 3.419 13.932 5.048) 15.208 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 5.032 -3.787 -3.425) 7.169 1.834 ( -4.686 -0.322 -4.715) 6.655 1.941 ( 2.032 1.062 -3.413) 4.111 2.606 ( 4.441 2.632 -2.341) 5.668 2.923 ( -8.218 -4.314 -3.096) 9.784 3.334 ( 4.345 -3.912 12.249) 13.573 5.059 ( -5.536 5.552 5.852) 9.784 5.423 ( 5.501 -0.254 6.332) 8.392 5.906 ( -2.445 -1.228 -8.121) 8.569 6.631 ( -0.308 1.580 1.616) 2.281 6.915 ( 0.268 -1.852 -3.335) 3.824 7.204 ( 3.356 3.297 -15.235) 15.945 7.715 ( -0.484 -6.850 -13.172) 14.855 7.899 ( -0.062 3.648 -2.814) 4.607 8.107 ( -0.587 2.869 -0.977) 3.087 8.623 ( -6.073 -11.278 4.423) 13.552 9.343 ( -2.914 7.281 4.882) 9.238 9.513 ( 4.331 -1.800 4.223) 6.312 16.680 ( -1.205 -1.240 -0.913) 1.955 16.783 ( 1.630 2.149 5.126) 5.793 17.432 ( -0.575 -1.195 -1.359) 1.899 17.604 ( -1.626 -0.848 -0.777) 1.992 17.817 ( 2.983 0.383 3.237) 4.419 18.718 ( -4.029 -0.613 -16.271) 16.773 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.085 -3.966 2.274) 4.572 1.709 ( -3.903 -5.450 -1.982) 6.990 1.989 ( 5.526 0.901 -7.594) 9.435 2.626 ( -3.870 -0.831 -0.922) 4.065 2.850 ( 2.850 1.551 0.235) 3.254 3.394 ( 1.580 -2.646 5.161) 6.011 5.063 ( -3.012 4.403 5.642) 7.765 5.553 ( 4.887 0.333 6.770) 8.356 5.827 ( -0.893 -0.286 -7.932) 7.987 6.601 ( -4.425 0.136 -3.540) 5.668 6.896 ( 0.862 -0.914 -1.059) 1.643 7.165 ( 0.205 -0.476 -9.476) 9.490 7.566 ( -1.037 -6.311 -12.981) 14.471 7.903 ( -3.062 -1.394 5.043) 6.062 8.099 ( -3.863 1.595 1.445) 4.422 8.529 ( 3.353 -2.800 -1.729) 4.698 9.381 ( -2.502 5.064 3.982) 6.911 9.584 ( 3.210 -0.612 3.103) 4.506 16.641 ( -1.332 -1.189 -0.962) 2.028 16.855 ( 1.732 1.159 4.336) 4.811 17.414 ( -0.125 -0.638 -0.921) 1.127 17.594 ( 0.152 1.276 1.703) 2.134 17.858 ( 0.384 -0.628 2.281) 2.397 18.538 ( -4.347 -4.187 -14.788) 15.972 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -5.939 -1.444 5.897) 8.493 1.629 ( 2.216 -5.332 -0.170) 5.777 2.008 ( 4.505 -4.565 -7.501) 9.869 2.591 ( 0.085 1.742 2.040) 2.684 2.866 ( -4.598 -2.110 1.883) 5.398 3.461 ( 7.931 2.359 -2.834) 8.746 5.121 ( 0.393 3.844 8.104) 8.978 5.640 ( 0.559 1.585 4.481) 4.786 5.767 ( -0.682 -0.334 -9.118) 9.149 6.460 ( -7.152 -3.307 -4.969) 9.316 6.910 ( 0.900 0.278 0.591) 1.112 7.121 ( 1.296 -3.685 -3.028) 4.943 7.432 ( -1.171 -3.263 -10.124) 10.702 7.805 ( -10.662 -7.136 14.384) 19.274 8.059 ( -2.383 1.777 -0.427) 3.004 8.643 ( 10.776 3.772 -5.192) 12.542 9.400 ( -2.526 3.443 2.670) 5.036 9.638 ( 2.011 0.397 1.443) 2.507 16.616 ( 0.169 -0.452 -1.226) 1.317 16.902 ( 1.073 0.718 1.096) 1.693 17.400 ( -0.231 -0.711 -0.801) 1.095 17.654 ( 2.484 0.844 6.993) 7.469 17.854 ( -2.373 1.913 1.627) 3.455 18.337 ( -4.490 -7.646 -11.314) 14.375 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -7.393 -2.696 3.688) 8.690 1.679 ( 5.468 -0.537 3.290) 6.404 1.988 ( 3.473 -7.102 -3.402) 8.607 2.600 ( -5.972 -3.495 3.222) 7.633 2.766 ( -1.842 2.368 1.893) 3.548 3.641 ( 12.604 4.721 -7.774) 15.544 5.222 ( 1.802 2.440 8.749) 9.260 5.649 ( -5.925 6.392 1.195) 8.797 5.680 ( -1.534 -2.603 -10.057) 10.501 6.312 ( -2.864 -6.662 2.454) 7.655 6.911 ( -1.197 -0.342 -1.663) 2.077 7.095 ( 1.435 -4.810 -0.834) 5.089 7.384 ( 1.871 1.263 -2.834) 3.623 7.637 ( -11.753 -7.841 15.817) 21.208 8.049 ( -0.786 1.663 -0.687) 1.963 8.828 ( 9.454 4.135 -2.566) 10.633 9.394 ( -2.463 2.774 -0.417) 3.733 9.669 ( 0.921 0.257 -0.240) 0.986 16.626 ( 2.047 0.433 -1.393) 2.514 16.919 ( 0.936 1.262 -3.066) 3.445 17.388 ( -0.353 -0.173 -0.124) 0.412 17.719 ( 0.789 -4.814 6.927) 8.472 17.886 ( -1.165 9.659 6.636) 11.777 18.129 ( -4.473 -10.403 -6.795) 13.206 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -3.855 -3.003 3.934) 6.274 1.790 ( 2.932 0.202 6.564) 7.192 1.907 ( -2.788 -8.425 -3.543) 9.555 2.469 ( -2.205 -4.589 3.598) 6.234 2.847 ( 0.398 8.064 3.332) 8.734 3.803 ( 9.747 1.976 -13.271) 16.584 5.292 ( 0.356 1.449 1.642) 2.218 5.587 ( -0.930 -2.371 -3.471) 4.306 5.607 ( -8.013 8.683 2.012) 11.985 6.299 ( 4.430 -7.604 10.589) 13.768 6.843 ( -3.254 -1.417 -4.693) 5.884 7.068 ( 0.256 -3.042 -0.752) 3.144 7.474 ( 5.273 2.823 4.463) 7.463 7.487 ( -9.429 -5.416 13.854) 17.612 8.053 ( -0.026 1.145 -0.124) 1.152 8.953 ( 2.350 1.551 0.911) 2.959 9.386 ( 0.137 3.653 -4.051) 5.456 9.663 ( -0.389 -1.382 -2.101) 2.545 16.664 ( 2.278 0.757 -0.845) 2.545 16.928 ( 1.977 1.960 -6.822) 7.368 17.389 ( -0.192 0.986 1.017) 1.429 17.685 ( -3.056 -2.239 2.557) 4.570 17.935 ( -3.673 -11.720 -1.369) 12.358 18.050 ( 2.122 9.581 13.030) 16.312 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 1.814 -6.026 4.716) 7.863 1.668 ( -11.842 -11.735 9.897) 19.388 1.880 ( 1.589 2.633 -2.691) 4.087 2.527 ( 7.713 0.912 2.295) 8.099 2.932 ( -2.912 9.776 4.437) 11.124 3.796 ( 1.290 -3.315 -18.542) 18.880 5.310 ( -0.027 6.468 -5.371) 8.408 5.534 ( 1.358 -3.335 -5.544) 6.611 5.629 ( -5.035 6.137 14.027) 16.118 6.412 ( 7.960 -6.785 15.029) 18.310 6.753 ( -2.744 -0.762 -4.865) 5.637 7.035 ( -0.695 -2.338 -0.688) 2.535 7.404 ( -4.472 -3.077 11.675) 12.876 7.639 ( 5.485 5.757 7.484) 10.920 8.068 ( 0.768 0.552 0.536) 1.087 8.929 ( -5.314 -0.157 -1.099) 5.428 9.429 ( 2.952 3.519 -2.745) 5.351 9.604 ( -1.742 -3.692 -4.291) 5.923 16.690 ( 0.371 0.635 -0.258) 0.780 16.933 ( 1.832 0.790 -8.317) 8.552 17.408 ( -0.167 2.026 1.382) 2.458 17.631 ( -3.134 -0.006 0.820) 3.240 17.797 ( -0.864 -10.056 1.989) 10.287 18.261 ( 2.715 9.901 15.196) 18.339 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 3.098 -8.464 2.937) 9.480 1.458 ( -5.277 -14.866 15.476) 22.099 1.911 ( -1.542 7.010 -1.385) 7.310 2.695 ( 8.915 2.743 -0.272) 9.332 2.991 ( -5.367 11.888 5.293) 14.076 3.600 ( -4.551 -6.817 -20.129) 21.734 5.324 ( -3.928 7.335 -4.913) 9.663 5.527 ( 3.844 -1.360 -4.318) 5.938 5.691 ( -1.375 2.133 12.380) 12.637 6.563 ( 5.851 -5.144 14.025) 16.043 6.702 ( 0.822 -0.695 -3.576) 3.734 7.000 ( -0.742 -2.307 0.259) 2.438 7.441 ( 2.566 1.364 10.770) 11.156 7.828 ( 3.933 8.203 8.465) 12.427 8.097 ( 1.983 0.059 1.466) 2.466 8.802 ( -7.644 1.177 -6.116) 9.860 9.482 ( 1.138 -3.036 0.470) 3.276 9.499 ( -1.813 -1.624 -5.702) 6.200 16.685 ( -1.137 0.531 -0.732) 1.453 16.886 ( -1.749 -2.468 -5.484) 6.263 17.429 ( -0.797 2.484 0.572) 2.671 17.615 ( 1.219 0.612 -0.496) 1.452 17.742 ( 0.795 -6.230 3.618) 7.248 18.486 ( 2.748 11.328 13.326) 17.705 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -3.948 -13.459 7.739) 16.019 1.517 ( 12.584 -8.073 10.286) 18.147 1.932 ( -4.638 7.729 0.541) 9.030 2.824 ( 5.071 1.806 -2.413) 5.899 3.055 ( -4.939 13.691 5.441) 15.539 3.339 ( -4.531 -8.211 -18.675) 20.898 5.257 ( -7.808 4.152 -3.071) 9.361 5.549 ( 0.734 -1.809 2.321) 3.033 5.774 ( 2.411 3.054 5.106) 6.420 6.640 ( 2.153 0.697 1.767) 2.871 6.731 ( 5.283 -4.486 0.963) 6.997 6.968 ( -1.492 -1.898 1.243) 2.715 7.625 ( 8.643 2.582 11.681) 14.759 7.988 ( 0.665 7.681 6.108) 9.836 8.160 ( 3.277 1.797 3.283) 4.975 8.671 ( -5.903 5.672 -9.263) 12.362 9.363 ( -1.280 -7.794 -6.283) 10.093 9.505 ( -1.184 -1.112 3.203) 3.592 16.660 ( -1.378 -0.002 -1.570) 2.089 16.790 ( -3.288 -3.688 -1.302) 5.110 17.434 ( -1.617 2.714 0.306) 3.174 17.667 ( 4.147 0.791 -1.884) 4.623 17.730 ( 0.826 -4.486 3.786) 5.928 18.698 ( 2.034 12.216 8.316) 14.918 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 9.166 -0.373 -8.102) 12.239 1.738 ( 8.434 -12.254 -14.961) 21.098 1.926 ( -7.169 3.139 -3.400) 8.532 2.638 ( 0.619 8.494 4.971) 9.861 3.071 ( -13.938 0.686 -3.350) 14.351 3.266 ( 7.876 -7.465 17.995) 21.014 5.242 ( -7.741 3.182 5.124) 9.814 5.409 ( 2.737 3.493 7.093) 8.367 5.887 ( -3.068 -1.930 -8.972) 9.676 6.643 ( 1.405 0.491 2.913) 3.271 6.819 ( 4.589 -2.590 -12.314) 13.394 7.050 ( 5.055 -0.947 -7.588) 9.167 7.646 ( 0.909 2.260 -12.632) 12.864 7.958 ( -6.237 6.319 -6.156) 10.804 8.128 ( 0.291 3.269 -2.245) 3.977 8.667 ( -5.542 -9.498 9.069) 14.254 9.375 ( 4.111 -4.924 7.549) 9.907 9.511 ( -1.392 4.689 -1.520) 5.122 16.674 ( -0.056 -1.589 0.410) 1.642 16.805 ( 0.747 0.473 3.955) 4.053 17.436 ( -1.709 -0.434 -0.228) 1.778 17.616 ( -0.672 -0.073 -0.581) 0.891 17.772 ( 4.022 0.056 0.044) 4.022 18.729 ( -6.832 3.200 -14.159) 16.043 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 6.765 -6.234 -6.597) 11.321 1.722 ( 1.990 -4.988 -3.345) 6.326 1.840 ( 0.842 2.371 -9.504) 9.832 2.768 ( -2.612 8.446 5.009) 10.161 2.845 ( -6.402 -0.843 -2.600) 6.961 3.379 ( 2.248 -6.198 12.374) 14.021 5.170 ( -4.425 -0.334 4.029) 5.994 5.545 ( 3.391 3.621 6.960) 8.548 5.790 ( -1.139 -0.217 -9.314) 9.386 6.630 ( -2.333 -1.121 -2.596) 3.666 6.840 ( 4.605 0.383 -3.896) 6.044 7.048 ( 3.079 -4.229 -6.248) 8.149 7.571 ( -6.251 6.060 -12.204) 14.992 7.934 ( 0.171 4.009 -3.475) 5.308 8.165 ( 0.941 4.592 -1.760) 5.007 8.524 ( -7.306 -7.481 8.193) 13.284 9.437 ( 1.912 -1.486 5.433) 5.949 9.536 ( 2.648 0.439 -0.415) 2.716 16.649 ( -1.429 -1.221 -0.099) 1.882 16.840 ( 2.164 -2.261 3.443) 4.653 17.407 ( -1.027 -0.835 -0.605) 1.456 17.630 ( -0.064 3.480 1.758) 3.899 17.821 ( 3.373 -1.362 -0.816) 3.728 18.558 ( -8.416 3.002 -12.426) 15.305 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 7.272 -5.008 -5.163) 10.228 1.659 ( -5.050 -0.716 5.519) 7.515 1.859 ( 4.397 -0.536 -9.233) 10.241 2.678 ( -5.612 4.380 -0.274) 7.125 2.908 ( 0.611 1.194 2.762) 3.071 3.388 ( 0.882 -3.492 4.258) 5.576 5.166 ( 0.869 -0.979 6.606) 6.734 5.621 ( 2.359 -2.806 -2.458) 4.414 5.749 ( -0.405 3.271 -2.505) 4.140 6.541 ( -6.853 2.142 -4.018) 8.228 6.897 ( 2.192 1.615 0.356) 2.746 7.020 ( 2.891 -5.482 -2.669) 6.748 7.449 ( -6.411 5.013 -9.793) 12.733 7.946 ( -2.725 0.487 3.477) 4.444 8.162 ( -7.310 1.927 3.403) 8.290 8.487 ( 7.037 -0.138 -1.304) 7.158 9.462 ( -0.921 0.422 2.531) 2.726 9.592 ( 4.135 -1.223 0.531) 4.345 16.616 ( -1.248 -0.553 -0.370) 1.414 16.868 ( 2.497 -2.945 1.095) 4.013 17.385 ( -0.004 -1.431 -0.210) 1.447 17.681 ( 0.259 1.578 4.849) 5.106 17.858 ( 3.155 0.452 -1.499) 3.522 18.382 ( -9.907 3.780 -8.167) 13.384 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.591 -3.826 -0.393) 3.891 1.637 ( -0.858 4.593 1.272) 4.843 1.868 ( 3.487 -2.450 -2.158) 4.777 2.680 ( -2.861 1.942 1.113) 3.633 2.855 ( -5.032 -0.547 3.952) 6.422 3.452 ( 8.602 -0.211 -3.949) 9.467 5.235 ( 3.019 -1.254 7.222) 7.928 5.556 ( 1.331 -6.200 -9.928) 11.781 5.797 ( -0.680 4.973 4.664) 6.851 6.414 ( -10.327 4.896 -1.949) 11.594 6.921 ( -1.185 0.018 0.122) 1.191 7.019 ( 3.025 -2.964 -0.960) 4.342 7.384 ( -1.091 3.984 -3.132) 5.183 7.861 ( -11.580 -4.190 12.997) 17.905 8.085 ( -3.322 1.279 -0.390) 3.581 8.670 ( 12.690 4.423 -3.572) 13.906 9.447 ( -2.115 -0.174 0.199) 2.131 9.637 ( 2.441 -0.920 -0.690) 2.698 16.604 ( 0.385 0.357 -0.617) 0.810 16.877 ( 1.929 -1.959 -2.217) 3.532 17.382 ( 0.705 -0.897 1.022) 1.532 17.704 ( 0.091 -3.688 5.377) 6.521 17.915 ( 3.667 0.869 -2.740) 4.660 18.238 ( -10.671 7.603 0.769) 13.126 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -6.753 -1.285 -0.090) 6.875 1.733 ( 5.632 4.159 -0.951) 7.066 1.890 ( 0.533 -1.750 2.701) 3.262 2.536 ( -8.852 -7.248 5.825) 12.839 2.928 ( 2.502 9.597 3.166) 10.410 3.559 ( 10.589 -3.368 -10.916) 15.576 5.282 ( 1.374 -1.734 -0.210) 2.222 5.494 ( 2.336 -3.856 -3.059) 5.448 5.849 ( -3.645 7.451 4.721) 9.544 6.317 ( -5.968 2.848 4.762) 8.149 6.860 ( -3.735 -1.429 -3.488) 5.307 7.032 ( 1.230 -1.224 -0.824) 1.920 7.457 ( 3.780 3.108 6.142) 7.853 7.700 ( -11.977 -3.115 13.301) 18.168 8.065 ( -0.577 1.076 -0.957) 1.551 8.878 ( 9.345 2.473 -0.296) 9.671 9.401 ( -1.683 -0.247 -3.083) 3.521 9.638 ( -0.018 -1.036 -2.752) 2.940 16.627 ( 2.161 0.813 -0.634) 2.394 16.872 ( 1.598 -0.284 -5.183) 5.431 17.403 ( 0.889 0.659 2.175) 2.440 17.686 ( -0.296 -5.040 3.838) 6.342 17.893 ( -1.903 -3.687 -5.779) 7.115 18.250 ( -4.248 12.128 12.741) 18.096 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -4.947 -5.712 -1.789) 7.765 1.803 ( -5.704 -2.755 4.787) 7.940 1.878 ( 0.487 2.294 4.894) 5.427 2.466 ( 2.233 -0.374 3.920) 4.526 3.071 ( 0.610 10.073 3.927) 10.829 3.571 ( 6.843 -7.444 -16.917) 19.708 5.287 ( 3.066 1.826 -5.745) 6.763 5.492 ( -0.103 -0.743 -0.431) 0.865 5.871 ( -6.489 8.405 6.394) 12.395 6.351 ( 2.754 -1.755 13.095) 13.496 6.762 ( -3.274 -1.525 -4.567) 5.823 7.021 ( -0.302 -1.487 -1.046) 1.843 7.504 ( -4.786 -7.306 14.024) 16.521 7.703 ( 1.991 11.252 8.037) 13.971 8.067 ( 0.211 0.455 -0.144) 0.522 8.958 ( -0.035 -3.401 0.788) 3.492 9.390 ( 2.962 1.367 -3.683) 4.920 9.584 ( -2.564 -0.997 -5.184) 5.869 16.669 ( 2.267 0.282 -0.189) 2.292 16.865 ( 1.576 0.878 -7.399) 7.615 17.441 ( 0.234 2.209 2.566) 3.394 17.655 ( -0.105 -4.234 2.381) 4.859 17.774 ( -4.578 -3.386 -2.448) 6.197 18.417 ( 0.618 10.822 15.624) 19.016 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 2.763 -9.956 0.895) 10.371 1.597 ( -14.732 -13.496 15.455) 25.259 1.983 ( 1.758 8.539 1.049) 8.781 2.596 ( 7.712 5.087 -0.500) 9.252 3.156 ( -0.596 3.498 1.118) 3.720 3.464 ( -0.771 -2.247 -16.738) 16.906 5.361 ( 5.906 5.897 -7.260) 11.061 5.462 ( -2.501 1.683 -3.200) 4.396 5.871 ( -6.914 4.683 9.787) 12.865 6.488 ( 6.313 -4.910 16.151) 18.023 6.689 ( -1.422 -1.177 -3.063) 3.576 6.990 ( -0.640 -1.999 -0.592) 2.181 7.465 ( -0.567 -4.999 11.791) 12.819 7.931 ( 3.638 14.550 8.838) 17.408 8.081 ( 1.247 0.112 1.133) 1.688 8.849 ( -4.858 -6.358 -4.632) 9.246 9.425 ( 0.366 -4.366 -1.908) 4.779 9.513 ( -1.231 3.891 -3.725) 5.526 16.688 ( 0.249 -0.480 -0.571) 0.787 16.849 ( 0.560 0.112 -6.456) 6.481 17.468 ( -0.882 2.659 0.733) 2.896 17.632 ( -1.479 -1.262 1.122) 2.245 17.692 ( 0.051 -4.208 1.468) 4.457 18.626 ( 2.173 10.273 14.391) 17.814 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 3.900 -8.730 7.095) 11.907 1.333 ( -4.179 -18.480 17.038) 25.481 2.072 ( -1.785 8.359 1.272) 8.642 2.750 ( 6.181 5.419 -3.656) 8.996 3.082 ( 0.796 -13.204 -12.229) 18.015 3.395 ( -7.699 16.406 -3.644) 18.485 5.403 ( -5.770 5.609 -4.019) 8.994 5.477 ( 6.298 3.268 -6.768) 9.806 5.862 ( -4.445 1.759 10.484) 11.522 6.608 ( 5.289 -5.777 9.066) 11.981 6.656 ( -0.993 -0.776 1.065) 1.650 6.967 ( 0.016 -2.364 1.169) 2.637 7.546 ( 7.129 -3.464 10.970) 13.534 8.064 ( -0.130 1.458 1.570) 2.147 8.214 ( 2.860 14.198 6.872) 16.030 8.681 ( -2.411 -5.662 -9.973) 11.719 9.315 ( -3.638 -3.287 -5.834) 7.621 9.547 ( -0.982 1.611 4.553) 4.928 16.664 ( -1.237 -0.995 -1.928) 2.498 16.805 ( -2.051 -1.444 -1.798) 3.086 17.478 ( -0.765 2.913 -1.260) 3.265 17.614 ( 0.978 -0.726 -0.126) 1.224 17.694 ( 1.626 -3.834 3.215) 5.261 18.825 ( 1.720 10.105 9.860) 14.223 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 0.000 0.000 20.721) 20.721 1.343 ( 0.000 0.000 20.721) 20.721 1.792 ( 0.000 0.000 29.936) 29.936 2.816 ( -0.000 -0.000 -8.945) 8.945 2.816 ( 0.000 -0.000 -8.945) 8.945 4.049 ( -0.000 -0.000 -22.547) 22.547 5.271 ( -0.000 -0.000 -6.425) 6.425 5.271 ( -0.000 -0.000 -6.425) 6.425 6.153 ( -0.000 -0.000 -6.691) 6.691 6.653 ( -0.000 0.000 1.027) 1.027 6.653 ( 0.000 0.000 1.027) 1.027 7.455 ( 0.000 0.000 20.321) 20.321 7.561 ( -0.000 0.000 11.070) 11.070 7.561 ( 0.000 0.000 11.070) 11.070 8.036 ( 0.000 0.000 0.366) 0.366 9.199 ( -0.000 -0.000 -6.962) 6.962 9.199 ( 0.000 -0.000 -6.962) 6.962 9.810 ( -0.000 -0.000 -9.724) 9.724 16.682 ( 0.000 -0.000 -0.224) 0.224 16.682 ( 0.000 -0.000 -0.224) 0.224 17.464 ( 0.000 0.000 3.004) 3.004 17.464 ( 0.000 0.000 3.004) 3.004 17.571 ( 0.000 0.000 0.935) 0.935 19.561 ( -0.000 -0.000 -0.503) 0.503 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -2.668 -3.571 18.900) 19.418 1.607 ( 3.048 8.477 16.496) 18.796 1.995 ( 3.406 0.528 22.490) 22.753 2.687 ( -1.149 -5.412 -5.183) 7.581 2.853 ( 3.088 3.181 -6.527) 7.891 3.871 ( -5.412 -2.233 -19.993) 20.833 5.110 ( -5.574 -2.958 -6.647) 9.166 5.389 ( 8.699 4.544 -7.521) 12.365 6.075 ( -3.037 -2.418 -6.376) 7.465 6.588 ( -3.088 -1.684 3.123) 4.704 6.753 ( 4.608 2.975 -0.832) 5.548 7.333 ( -10.138 -7.928 13.442) 18.610 7.676 ( -3.229 12.688 13.300) 18.662 7.811 ( 12.884 -2.705 8.694) 15.777 8.081 ( 5.248 0.290 4.094) 6.662 9.016 ( -4.863 -8.676 -7.578) 12.504 9.295 ( 4.323 8.116 -9.344) 13.109 9.625 ( -11.209 -5.719 -5.745) 13.833 16.658 ( -1.035 -1.060 0.094) 1.484 16.716 ( 1.457 2.372 -0.491) 2.827 17.461 ( -1.763 1.638 2.095) 3.190 17.526 ( 3.387 0.144 1.729) 3.805 17.602 ( 2.914 0.723 1.393) 3.310 19.472 ( -7.215 -4.921 -0.289) 8.738 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 2.605 -0.310 13.913) 14.158 1.779 ( -0.344 7.782 8.343) 11.414 2.088 ( -3.781 0.385 8.866) 9.646 2.658 ( 5.295 -6.547 0.432) 8.431 2.925 ( 5.030 2.536 3.807) 6.799 3.620 ( -9.868 -2.458 -16.329) 19.237 4.970 ( -4.507 -1.968 -5.251) 7.195 5.527 ( 8.725 3.965 -8.259) 12.652 5.955 ( -3.452 -4.100 -5.642) 7.782 6.558 ( -2.516 -0.356 5.072) 5.673 6.835 ( 3.935 2.172 -2.864) 5.330 7.204 ( -6.706 -4.861 9.385) 12.517 7.796 ( -3.036 9.715 10.035) 14.293 7.955 ( 3.371 1.319 0.475) 3.651 8.288 ( 15.691 -3.250 10.277) 19.036 8.799 ( -4.050 -14.660 -7.049) 16.764 9.221 ( -16.290 8.790 -15.067) 23.867 9.495 ( 3.188 -0.884 2.844) 4.362 16.636 ( -0.509 -1.069 0.460) 1.270 16.756 ( 0.536 2.930 -0.315) 2.995 17.456 ( -2.396 3.235 -0.281) 4.036 17.575 ( 3.035 -2.056 0.857) 3.764 17.690 ( 4.478 2.089 1.929) 5.305 19.265 ( -9.971 -7.730 -1.823) 12.747 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 5.105 0.935 7.767) 9.341 1.815 ( -2.028 -0.134 -0.111) 2.036 2.048 ( -5.702 1.376 4.101) 7.157 2.690 ( 2.994 -2.149 0.251) 3.694 3.093 ( 5.771 1.072 9.971) 11.570 3.350 ( -9.822 -0.887 -11.445) 15.107 4.886 ( -1.963 -0.240 -1.396) 2.421 5.618 ( 3.067 0.891 -4.061) 5.167 5.845 ( 0.237 -3.768 -8.203) 9.030 6.559 ( -1.635 1.326 5.656) 6.035 6.884 ( 3.204 0.813 -4.661) 5.714 7.137 ( -2.815 -2.286 4.655) 5.901 7.872 ( -2.155 5.362 5.456) 7.947 7.985 ( 1.078 0.149 -3.083) 3.269 8.514 ( -9.089 -13.797 -9.609) 19.113 8.576 ( 16.445 -4.156 8.444) 18.947 8.993 ( -13.164 10.711 -4.689) 17.607 9.574 ( 2.981 1.670 1.029) 3.568 16.631 ( 0.639 -1.080 0.708) 1.441 16.780 ( -0.549 2.229 0.231) 2.307 17.444 ( -1.498 2.800 -2.163) 3.842 17.601 ( 1.782 -1.220 0.474) 2.211 17.786 ( 3.113 1.782 3.053) 4.710 19.011 ( -9.223 -8.052 -6.328) 13.782 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 6.773 -1.498 -1.090) 7.022 1.760 ( -3.427 -1.091 1.914) 4.074 1.976 ( -3.781 -3.260 1.903) 5.343 2.698 ( -2.032 1.393 -2.365) 3.415 3.044 ( -8.049 1.736 -8.894) 12.120 3.346 ( 4.315 1.019 10.922) 11.788 4.898 ( 1.778 1.969 3.789) 4.626 5.576 ( -4.894 -4.230 3.638) 7.421 5.820 ( 5.501 -0.233 -12.760) 13.897 6.594 ( -0.225 2.440 4.938) 5.512 6.897 ( 2.661 -1.005 -7.134) 7.680 7.115 ( -0.154 -1.178 -0.036) 1.189 7.857 ( -0.719 -5.156 -4.091) 6.621 7.983 ( -0.487 0.799 -1.152) 1.484 8.178 ( -11.796 -4.471 -12.508) 17.764 8.788 ( 3.654 5.592 1.427) 6.831 8.988 ( 3.948 3.074 8.118) 9.537 9.615 ( -0.407 0.497 1.924) 2.029 16.645 ( 1.846 -1.032 0.695) 2.226 16.783 ( -1.138 0.777 1.323) 1.910 17.437 ( -0.113 1.380 -2.794) 3.119 17.619 ( 0.128 1.711 -0.031) 1.716 17.847 ( 0.380 -0.143 5.170) 5.186 18.770 ( -5.316 -5.868 -13.021) 15.240 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -3.137 -7.950 -7.756) 11.541 1.770 ( 1.443 2.311 -0.047) 2.725 1.939 ( 0.833 -2.979 4.066) 5.109 2.605 ( -6.044 0.660 -6.365) 8.802 2.959 ( -0.318 4.878 -7.328) 8.809 3.461 ( -0.555 0.051 14.294) 14.305 5.015 ( 5.137 3.596 7.389) 9.691 5.478 ( -4.684 -4.365 5.641) 8.533 5.836 ( 4.321 1.561 -12.027) 12.875 6.642 ( -0.119 1.783 4.541) 4.880 6.858 ( 1.871 -4.279 -12.361) 13.214 7.089 ( -0.549 -2.449 -2.718) 3.699 7.750 ( 0.819 -7.252 -8.098) 10.902 7.853 ( -10.066 4.046 -13.020) 16.947 8.060 ( 1.660 -0.817 -1.119) 2.162 8.857 ( -4.420 11.184 2.731) 12.332 9.184 ( 11.416 -1.848 7.668) 13.876 9.592 ( -3.858 -1.196 3.579) 5.397 16.673 ( 2.019 -0.537 0.009) 2.089 16.782 ( -0.393 -0.954 3.844) 3.980 17.433 ( 0.354 0.835 -2.647) 2.798 17.636 ( -1.025 3.801 -0.517) 3.971 17.848 ( -2.608 -2.931 6.048) 7.209 18.606 ( 0.923 -1.717 -18.499) 18.601 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -7.275 -8.819 -5.830) 12.833 1.812 ( 0.896 2.180 -5.791) 6.252 1.907 ( -3.999 1.946 -4.557) 6.367 2.532 ( 2.036 -2.551 -0.213) 3.271 3.024 ( 6.011 6.976 -5.743) 10.853 3.484 ( -6.181 -2.834 17.598) 18.866 5.191 ( 7.032 2.692 8.180) 11.118 5.432 ( -1.849 -0.845 5.556) 5.917 5.850 ( 2.600 4.012 -10.933) 11.933 6.654 ( -1.233 -3.827 0.304) 4.032 6.729 ( -0.693 -4.465 -14.459) 15.149 7.032 ( -1.991 -1.864 -0.811) 2.845 7.630 ( -7.323 3.499 -13.997) 16.180 7.776 ( 8.485 -1.515 -8.270) 11.946 8.077 ( 1.510 -0.850 -0.583) 1.828 8.888 ( -5.766 8.211 3.758) 10.714 9.372 ( 9.234 -1.096 4.012) 10.128 9.520 ( -6.195 -1.700 5.205) 8.268 16.690 ( 0.481 -0.073 -0.347) 0.598 16.806 ( 1.227 -1.810 6.367) 6.732 17.438 ( 0.722 1.642 -1.988) 2.678 17.645 ( -1.745 3.543 -0.845) 4.039 17.784 ( -3.834 -4.417 2.654) 6.423 18.562 ( 6.508 1.940 -18.334) 19.552 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -1.418 -9.573 17.766) 20.230 1.702 ( 3.940 5.878 15.118) 16.692 2.119 ( 0.325 0.727 17.200) 17.218 2.702 ( -6.849 1.445 -2.867) 7.564 2.800 ( 3.701 4.797 -4.841) 7.755 3.768 ( 0.807 -3.952 -18.366) 18.804 5.097 ( 0.451 -3.930 -6.440) 7.558 5.314 ( -0.610 6.302 -8.346) 10.476 6.036 ( -0.478 -3.192 -6.939) 7.653 6.609 ( 0.025 -2.703 2.609) 3.757 6.747 ( 0.136 4.478 0.269) 4.488 7.499 ( -10.369 -9.390 13.906) 19.724 7.576 ( 14.641 -6.521 13.815) 21.160 7.900 ( -1.138 7.192 3.829) 8.227 8.132 ( -3.548 9.042 7.095) 12.029 8.964 ( -5.543 -10.897 -9.924) 15.747 9.221 ( 6.288 4.396 -6.746) 10.216 9.617 ( -0.139 -5.766 -6.153) 8.433 16.677 ( -1.810 0.039 -0.255) 1.828 16.700 ( 2.518 1.802 -0.378) 3.120 17.472 ( 2.546 -1.534 1.504) 3.331 17.533 ( -1.796 2.467 2.302) 3.822 17.608 ( -0.818 2.560 1.196) 2.942 19.464 ( -0.532 -9.792 -0.248) 9.810 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 2.262 -6.214 14.056) 15.534 1.866 ( 0.594 3.812 6.913) 7.917 2.181 ( -0.606 -3.786 7.012) 7.992 2.611 ( -2.338 1.183 1.057) 2.825 2.916 ( 3.573 6.512 5.074) 8.996 3.617 ( -3.880 -2.358 -15.400) 16.055 4.998 ( -4.019 -1.879 -4.377) 6.232 5.372 ( 7.228 4.110 -10.603) 13.474 5.936 ( -2.909 -4.462 -5.427) 7.605 6.601 ( -0.461 -1.279 4.015) 4.239 6.799 ( 1.572 3.151 -1.487) 3.822 7.343 ( -9.008 -7.018 12.531) 16.953 7.801 ( 10.460 -4.990 8.662) 14.468 7.977 ( 2.114 3.820 2.711) 5.139 8.186 ( -0.442 1.764 5.849) 6.125 8.705 ( -5.062 -12.458 -6.686) 15.017 9.338 ( 3.574 8.052 -9.881) 13.238 9.487 ( -5.226 -3.154 -0.641) 6.137 16.645 ( -1.472 -0.629 0.014) 1.601 16.762 ( 2.085 3.503 -1.206) 4.251 17.505 ( 1.889 -2.566 -0.822) 3.291 17.538 ( -1.447 3.553 1.896) 4.280 17.653 ( 2.864 2.249 1.812) 4.068 19.292 ( -6.392 -13.804 -0.337) 15.215 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 4.249 -3.152 8.288) 9.833 1.865 ( -3.919 -0.804 2.198) 4.565 2.106 ( -3.490 -6.805 -1.599) 7.813 2.672 ( 3.047 3.762 4.094) 6.341 3.081 ( 4.788 3.049 10.367) 11.819 3.429 ( -8.272 1.082 -12.162) 14.749 4.921 ( -2.569 0.535 -0.019) 2.624 5.472 ( 9.219 2.678 -12.480) 15.745 5.809 ( -3.987 -5.360 -3.034) 7.337 6.619 ( -0.217 0.281 5.495) 5.507 6.827 ( 1.151 0.998 -3.653) 3.958 7.230 ( -6.615 -4.252 9.660) 12.456 7.909 ( 3.290 -1.549 3.567) 5.094 7.956 ( -3.623 -4.694 -7.508) 9.567 8.295 ( 13.424 -11.198 8.765) 19.556 8.528 ( -5.483 -0.924 -2.844) 6.246 9.262 ( -10.971 9.416 -6.743) 15.953 9.520 ( 5.485 0.954 0.839) 5.630 16.622 ( -0.576 -1.056 0.343) 1.251 16.807 ( 0.306 3.435 -1.109) 3.623 17.471 ( -1.267 -1.329 -2.688) 3.255 17.584 ( 1.156 2.958 2.119) 3.818 17.747 ( 4.778 1.767 1.471) 5.302 19.024 ( -8.807 -15.298 -2.568) 17.837 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 2.789 -2.481 0.862) 3.831 1.812 ( -2.388 -2.658 4.685) 5.892 1.969 ( -2.301 -8.613 -1.191) 8.995 2.755 ( -0.456 5.277 -0.783) 5.354 3.111 ( -5.881 -2.419 -7.047) 9.492 3.359 ( 2.022 4.134 6.669) 8.103 4.941 ( 0.199 4.393 5.813) 7.289 5.561 ( 7.397 1.707 -10.940) 13.316 5.685 ( -2.890 -5.597 -1.995) 6.607 6.659 ( -0.317 1.757 6.175) 6.428 6.807 ( 0.397 -1.951 -6.654) 6.946 7.161 ( -4.292 -2.104 5.899) 7.593 7.749 ( -2.271 -13.306 -9.376) 16.435 7.971 ( 2.591 0.170 1.117) 2.827 8.265 ( -8.473 -2.044 -8.645) 12.276 8.606 ( 13.267 -3.450 7.094) 15.435 9.187 ( -8.070 11.466 0.821) 14.045 9.604 ( 3.119 0.693 0.576) 3.247 16.614 ( 0.726 -1.426 0.624) 1.718 16.822 ( -1.232 2.291 -0.142) 2.605 17.429 ( -0.447 -1.060 -2.510) 2.761 17.645 ( 0.589 4.776 1.141) 4.945 17.840 ( 3.758 0.651 2.486) 4.552 18.721 ( -7.737 -14.023 -7.841) 17.832 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -0.899 -2.970 -5.448) 6.269 1.774 ( 0.051 -5.331 2.546) 5.907 1.912 ( 0.916 -5.209 6.850) 8.654 2.717 ( -7.762 5.088 -7.074) 11.670 2.951 ( -2.929 0.557 -10.556) 10.969 3.495 ( 4.547 -1.312 11.242) 12.197 5.060 ( 1.668 7.030 9.938) 12.287 5.550 ( -4.728 -3.235 4.871) 7.520 5.665 ( 8.467 1.075 -13.909) 16.319 6.690 ( -0.759 -3.636 -1.956) 4.198 6.733 ( -0.891 -0.138 -3.450) 3.565 7.109 ( -3.257 -1.934 2.323) 4.444 7.586 ( 2.645 -9.520 -8.053) 12.746 8.005 ( -6.380 3.540 -5.871) 9.365 8.028 ( -4.887 -0.081 -8.433) 9.747 8.823 ( 12.870 -4.227 4.552) 14.291 9.212 ( -3.604 9.629 4.899) 11.389 9.634 ( -0.338 -0.564 1.912) 2.022 16.626 ( 2.066 -1.724 0.771) 2.799 16.817 ( -1.531 0.977 1.938) 2.656 17.411 ( 0.668 -0.316 -2.186) 2.308 17.697 ( -0.988 6.061 0.195) 6.144 17.892 ( -0.291 -1.780 5.795) 6.070 18.461 ( -1.943 -8.795 -15.757) 18.150 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -5.378 -2.888 -4.658) 7.679 1.775 ( 2.957 -3.115 2.410) 4.925 1.924 ( 0.012 -1.514 0.663) 1.653 2.564 ( -8.465 2.908 -7.793) 11.868 2.939 ( 5.468 2.902 -7.222) 9.512 3.579 ( 0.837 -5.649 13.214) 14.395 5.201 ( 1.669 3.667 9.698) 10.501 5.497 ( -2.763 -0.632 5.131) 5.862 5.751 ( 7.074 5.947 -10.763) 14.186 6.525 ( -1.790 -9.863 -14.708) 17.799 6.755 ( -2.076 3.022 4.688) 5.951 7.054 ( -2.218 -1.677 0.829) 2.902 7.576 ( 7.843 -2.615 -7.142) 10.925 7.751 ( -12.622 4.497 -16.042) 20.902 8.049 ( 1.499 -0.015 0.359) 1.541 8.959 ( 5.038 -1.430 0.285) 5.245 9.298 ( 2.295 3.963 6.113) 7.638 9.611 ( -3.230 -1.110 3.795) 5.105 16.652 ( 2.487 -1.804 0.519) 3.116 16.823 ( -0.339 -0.247 5.062) 5.079 17.418 ( 1.415 0.788 -2.245) 2.768 17.715 ( -2.908 4.246 -1.102) 5.263 17.848 ( -5.438 -4.035 6.142) 9.142 18.356 ( 6.563 0.033 -19.178) 20.270 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -3.712 -7.225 16.184) 18.108 1.768 ( 1.794 0.610 12.844) 12.983 2.136 ( 2.734 -3.424 4.350) 6.174 2.763 ( 0.872 2.839 -5.815) 6.530 2.896 ( -6.266 10.234 7.590) 14.199 3.569 ( 5.883 -5.993 -15.204) 17.369 4.984 ( 4.168 -2.562 -4.625) 6.733 5.397 ( -7.685 5.549 -9.970) 13.757 5.960 ( 1.747 -2.495 -6.401) 7.088 6.591 ( 1.216 -2.460 4.336) 5.132 6.803 ( -1.923 3.587 -0.930) 4.175 7.379 ( 11.690 -6.083 12.243) 17.987 7.648 ( -9.085 -9.237 12.912) 18.291 7.947 ( -0.559 1.965 -0.790) 2.190 8.373 ( -7.045 11.450 6.118) 14.770 8.876 ( -4.802 -13.826 -9.389) 17.388 9.052 ( 12.334 0.095 -9.212) 15.395 9.548 ( 1.634 0.662 0.419) 1.812 16.672 ( 2.363 1.137 0.217) 2.631 16.711 ( -2.313 0.322 -0.187) 2.343 17.426 ( 1.276 -2.433 0.228) 2.757 17.599 ( -1.762 2.486 1.482) 3.388 17.669 ( -2.479 2.796 1.124) 3.902 19.317 ( 5.390 -12.025 -1.236) 13.235 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -0.888 -7.399 14.467) 16.274 1.912 ( 3.217 1.215 10.749) 11.285 2.140 ( 0.893 -5.577 0.249) 5.654 2.675 ( -4.434 -1.177 -3.032) 5.499 3.010 ( -0.200 9.929 6.595) 11.921 3.528 ( 2.762 -0.597 -12.225) 12.548 4.989 ( 0.948 -1.329 -2.759) 3.206 5.297 ( -1.790 3.886 -10.968) 11.772 5.901 ( -1.171 -3.460 -5.282) 6.422 6.604 ( 0.633 -2.130 4.066) 4.634 6.818 ( -0.363 3.521 -1.044) 3.691 7.488 ( -7.874 -7.965 12.144) 16.520 7.602 ( 12.550 -7.924 13.669) 20.177 7.966 ( 1.363 1.526 -0.790) 2.193 8.264 ( -8.689 -9.108 -5.933) 13.916 8.680 ( -3.650 -2.139 0.193) 4.235 9.227 ( 9.917 4.697 -5.861) 12.441 9.541 ( -2.800 1.150 -1.482) 3.371 16.670 ( -1.962 -0.259 -0.337) 2.007 16.743 ( 3.042 3.461 -0.849) 4.685 17.438 ( 2.398 -2.465 -0.297) 3.452 17.595 ( -1.495 1.689 1.405) 2.657 17.677 ( -0.789 3.058 1.364) 3.440 19.207 ( -1.173 -17.375 -0.462) 17.420 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 2.981 -3.881 11.252) 12.270 1.944 ( -4.532 -1.558 4.691) 6.706 2.057 ( -2.235 -8.289 -3.053) 9.112 2.658 ( 3.504 0.389 2.238) 4.176 3.095 ( 1.433 -0.651 3.207) 3.572 3.503 ( -3.344 8.298 -8.264) 12.180 4.972 ( -1.649 1.659 2.254) 3.249 5.293 ( 5.637 2.188 -12.542) 13.923 5.808 ( -2.999 -4.037 -2.673) 5.695 6.632 ( 1.541 -1.006 4.863) 5.199 6.825 ( -0.946 1.846 -2.442) 3.204 7.362 ( -7.715 -6.195 11.798) 15.398 7.797 ( 10.588 -6.481 9.193) 15.448 7.896 ( -6.119 -13.666 -10.830) 18.479 8.084 ( 6.124 -6.402 3.308) 9.457 8.638 ( -6.021 4.708 0.582) 7.665 9.360 ( 4.427 6.274 -9.216) 11.996 9.500 ( -2.646 2.189 3.115) 4.636 16.636 ( -1.796 -0.384 0.071) 1.838 16.815 ( 2.104 4.146 -1.783) 4.980 17.434 ( 0.815 -2.983 -1.519) 3.445 17.613 ( 0.915 2.371 0.867) 2.685 17.721 ( 1.481 3.013 2.049) 3.933 18.971 ( -5.831 -20.056 -0.418) 20.891 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 1.602 -0.980 6.863) 7.115 1.852 ( -4.663 -6.611 5.570) 9.822 1.910 ( -2.703 -7.125 -3.647) 8.448 2.755 ( 4.200 1.881 -0.693) 4.653 3.080 ( 0.953 -7.065 -1.890) 7.375 3.470 ( -6.380 9.368 -3.861) 11.974 5.031 ( 0.487 6.650 9.247) 11.400 5.353 ( 8.775 1.710 -13.928) 16.551 5.708 ( -3.918 -4.182 0.897) 5.801 6.683 ( 1.559 -0.465 4.340) 4.635 6.787 ( -2.218 -0.469 -3.333) 4.031 7.266 ( -6.433 -4.160 9.805) 12.443 7.597 ( -3.446 -16.433 -10.549) 19.829 7.915 ( 5.268 -2.443 3.583) 6.823 8.198 ( 8.549 -5.927 2.972) 10.819 8.564 ( -5.622 3.579 -2.238) 7.030 9.373 ( -3.550 8.522 -5.448) 10.719 9.557 ( 3.386 1.202 2.970) 4.662 16.610 ( -1.017 -0.595 0.393) 1.242 16.857 ( -0.197 3.458 -1.152) 3.650 17.405 ( 0.001 -2.078 -1.441) 2.529 17.679 ( 2.769 4.645 0.162) 5.410 17.792 ( 2.982 1.838 1.638) 3.867 18.665 ( -8.005 -19.832 -2.053) 21.485 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -2.681 1.429 1.130) 3.242 1.723 ( -2.689 -9.515 1.430) 9.990 1.877 ( 2.734 -5.479 7.085) 9.364 2.774 ( -0.195 0.469 -6.863) 6.882 2.980 ( -5.627 -0.361 -7.608) 9.470 3.463 ( 1.249 0.155 2.550) 2.844 5.186 ( 0.426 8.415 12.290) 14.901 5.450 ( 10.518 3.609 -12.516) 16.743 5.623 ( -4.142 -2.989 4.268) 6.656 6.626 ( -4.057 -6.535 -7.139) 10.495 6.786 ( 0.467 2.501 5.050) 5.654 7.174 ( -5.911 -4.289 5.103) 8.910 7.414 ( 2.410 -9.086 -7.101) 11.781 7.978 ( 2.998 -0.984 1.317) 3.419 8.155 ( -8.374 1.819 -10.630) 13.654 8.603 ( 9.817 -4.339 4.980) 11.833 9.374 ( -3.586 7.971 -1.351) 8.844 9.623 ( 2.078 0.057 1.965) 2.860 16.599 ( 0.184 -0.852 0.643) 1.084 16.864 ( -1.579 1.972 0.758) 2.638 17.389 ( 0.377 -0.673 -0.721) 1.056 17.772 ( 0.644 7.508 0.231) 7.539 17.864 ( 4.380 -0.291 0.694) 4.444 18.352 ( -6.789 -15.755 -5.787) 18.105 ======================= Grid point 510 (253/294) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -6.294 2.834 -1.858) 7.148 1.672 ( 4.517 -6.838 2.452) 8.554 1.910 ( 1.322 -4.733 6.167) 7.885 2.701 ( -6.260 2.323 -7.959) 10.389 2.857 ( -1.474 2.470 -8.331) 8.813 3.523 ( 5.163 -6.203 6.686) 10.480 5.284 ( -0.877 2.092 5.552) 5.998 5.536 ( -0.791 -3.745 3.556) 5.224 5.665 ( 6.935 11.859 -2.673) 13.995 6.428 ( -4.946 -6.774 -9.973) 13.031 6.844 ( -1.025 3.182 5.217) 6.196 7.078 ( -3.152 -3.606 1.275) 4.956 7.403 ( 5.947 -2.845 -4.350) 7.898 7.910 ( -11.775 4.458 -15.020) 19.599 8.037 ( 0.411 1.510 0.412) 1.618 8.769 ( 12.306 -6.913 4.294) 14.753 9.385 ( -2.510 5.451 0.664) 6.038 9.645 ( -0.257 -0.932 2.370) 2.560 16.607 ( 1.443 -1.152 0.798) 2.012 16.861 ( -1.266 0.223 3.252) 3.497 17.394 ( 0.842 0.314 -0.855) 1.240 17.794 ( -4.054 2.373 -2.220) 5.196 17.917 ( -0.270 -2.641 5.929) 6.496 18.164 ( 2.941 -1.067 -12.768) 13.146 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -5.086 -4.200 13.484) 15.010 1.798 ( 0.671 -1.096 4.607) 4.783 2.067 ( 3.354 -3.503 2.640) 5.521 2.746 ( 1.427 3.170 -3.816) 5.162 3.104 ( -3.834 2.136 5.341) 6.913 3.331 ( 6.553 -2.504 -9.064) 11.461 4.899 ( 2.342 -0.571 -0.176) 2.417 5.515 ( -8.004 4.726 -10.584) 14.086 5.869 ( 3.063 -0.967 -5.804) 6.633 6.578 ( 0.945 -3.012 6.014) 6.792 6.852 ( -1.742 2.856 -2.686) 4.290 7.238 ( 7.556 -4.115 8.568) 12.142 7.761 ( -7.024 -7.730 8.247) 13.308 7.967 ( -0.922 1.482 -1.742) 2.466 8.548 ( -7.672 -10.197 -6.274) 14.220 8.662 ( 10.824 -4.958 -9.896) 15.481 8.916 ( 3.001 8.977 4.653) 10.547 9.573 ( -1.093 2.149 2.050) 3.164 16.653 ( 1.032 0.438 0.314) 1.164 16.752 ( -1.782 1.059 0.605) 2.159 17.396 ( -0.279 -1.871 -0.742) 2.032 17.633 ( 0.692 1.791 0.179) 1.928 17.752 ( -4.229 1.616 1.632) 4.812 19.073 ( 8.735 -12.161 -4.210) 15.554 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -4.971 -7.226 12.533) 15.296 1.898 ( 5.772 -1.997 10.521) 12.165 2.086 ( 0.939 -1.204 -2.347) 2.800 2.707 ( -3.935 -1.827 -3.065) 5.312 3.078 ( 0.068 -4.314 -0.565) 4.351 3.427 ( 6.285 8.656 -5.067) 11.837 4.948 ( 2.590 1.286 2.239) 3.657 5.356 ( -8.167 3.926 -11.934) 14.985 5.851 ( 0.502 -2.039 -5.113) 5.527 6.594 ( 0.865 -3.496 5.318) 6.423 6.850 ( -0.723 3.115 -1.963) 3.753 7.395 ( 10.820 -6.769 11.236) 17.003 7.621 ( -7.130 -8.268 9.119) 14.225 7.965 ( -0.237 1.536 -1.430) 2.112 8.195 ( -7.741 -22.370 -8.976) 25.316 8.743 ( 1.508 5.329 -0.482) 5.559 9.104 ( 7.074 7.924 -1.064) 10.676 9.585 ( -1.198 2.225 0.381) 2.556 16.672 ( 1.080 -0.240 -1.158) 1.601 16.753 ( -0.719 3.493 0.712) 3.636 17.390 ( 1.199 -1.341 -0.083) 1.801 17.643 ( -1.713 1.178 0.476) 2.133 17.724 ( -1.452 1.758 1.575) 2.771 19.011 ( 3.659 -18.532 -2.228) 19.021 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.808 -5.146 10.997) 12.169 1.977 ( 0.939 -8.623 7.802) 11.667 2.048 ( -3.548 1.970 -3.479) 5.345 2.621 ( -0.503 -2.757 0.203) 2.810 3.024 ( 2.014 -8.615 -2.835) 9.291 3.581 ( 2.285 13.602 -5.713) 14.929 5.026 ( 1.041 3.918 6.543) 7.697 5.221 ( -2.932 2.631 -11.589) 12.241 5.796 ( -1.401 -2.720 -3.247) 4.462 6.616 ( 2.008 -2.898 5.651) 6.660 6.847 ( -1.293 2.003 -3.040) 3.863 7.469 ( -4.779 -7.764 7.282) 11.668 7.599 ( 11.067 -8.954 12.980) 19.265 7.797 ( -8.205 -18.877 -6.879) 21.702 8.008 ( 1.887 -0.248 0.161) 1.910 8.779 ( -3.989 5.480 0.603) 6.805 9.258 ( 6.966 5.606 -6.062) 10.803 9.584 ( -2.087 3.136 0.828) 3.857 16.662 ( -1.276 0.012 -0.528) 1.381 16.805 ( 2.299 4.546 -1.445) 5.295 17.392 ( 0.748 -1.707 -0.409) 1.908 17.623 ( -1.051 0.237 0.387) 1.145 17.758 ( 0.513 3.548 2.841) 4.574 18.832 ( -1.325 -22.119 -0.251) 22.160 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 4.331 -3.901 9.302) 10.978 1.885 ( -4.736 -7.344 2.917) 9.213 1.943 ( -7.623 -2.557 -0.182) 8.043 2.666 ( 6.265 -0.876 -0.328) 6.335 2.957 ( 2.415 -9.657 -2.250) 10.206 3.637 ( -5.404 11.574 -8.609) 15.404 5.141 ( 1.965 7.379 9.061) 11.849 5.196 ( 3.411 2.570 -7.896) 8.977 5.727 ( -2.264 -2.968 -0.489) 3.765 6.667 ( 2.496 -2.245 5.517) 6.458 6.802 ( -2.453 -0.214 -4.178) 4.849 7.364 ( -2.919 -6.788 3.139) 8.028 7.473 ( -8.226 -16.828 1.201) 18.770 7.777 ( 10.675 -6.422 8.162) 14.894 8.063 ( 4.693 -0.710 1.123) 4.878 8.714 ( -8.781 4.290 -2.816) 10.170 9.363 ( 5.197 5.105 -8.147) 10.929 9.595 ( -1.433 3.039 3.029) 4.524 16.636 ( -1.929 0.272 0.130) 1.952 16.872 ( 1.735 4.471 -2.317) 5.326 17.381 ( 0.221 -1.237 -0.466) 1.340 17.636 ( 2.920 0.124 -0.706) 3.006 17.826 ( 0.322 5.127 3.376) 6.147 18.576 ( -4.994 -22.399 1.585) 23.003 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 1.585 -3.713 6.614) 7.749 1.756 ( -7.330 -2.407 0.892) 7.766 1.826 ( -0.513 -7.192 5.577) 9.116 2.709 ( 1.447 -1.391 -6.802) 7.092 2.934 ( 4.825 -5.652 0.001) 7.432 3.544 ( -8.631 6.025 -7.894) 13.157 5.236 ( 5.347 1.758 -9.536) 11.074 5.354 ( 4.656 10.417 13.691) 17.823 5.671 ( -2.195 -2.167 2.244) 3.814 6.620 ( -5.497 -5.260 -3.816) 8.512 6.800 ( 2.850 0.803 3.726) 4.760 7.236 ( -3.619 -10.792 -2.716) 11.702 7.309 ( -2.748 -3.539 6.791) 8.136 7.904 ( 6.387 -3.635 4.386) 8.558 8.140 ( 4.440 -1.550 -0.657) 4.749 8.581 ( -7.061 2.214 -3.837) 8.336 9.426 ( 1.932 4.963 -5.915) 7.959 9.621 ( 0.095 1.004 2.604) 2.792 16.612 ( -1.529 0.309 0.422) 1.616 16.906 ( -0.591 2.842 -1.054) 3.088 17.379 ( 0.351 -0.091 0.413) 0.550 17.711 ( 7.264 0.643 -3.431) 8.060 17.884 ( -1.407 5.534 0.941) 5.787 18.306 ( -6.448 -17.777 4.530) 19.446 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 1.483 -6.117 3.773) 7.338 1.625 ( -7.984 3.052 -1.384) 8.659 1.855 ( 4.007 -6.685 8.837) 11.783 2.661 ( 1.119 -1.193 -6.116) 6.331 2.934 ( -2.855 1.605 -4.627) 5.668 3.450 ( -1.148 -1.199 -1.575) 2.288 5.264 ( 2.870 -0.095 -7.174) 7.727 5.565 ( 0.505 0.521 12.782) 12.803 5.679 ( 3.302 6.548 -0.186) 7.336 6.446 ( -6.860 -1.995 -3.337) 7.885 6.882 ( 2.387 1.426 3.585) 4.537 7.099 ( -3.574 -5.827 0.755) 6.877 7.312 ( 1.915 -0.541 2.828) 3.458 7.960 ( 0.913 -0.555 -1.585) 1.912 8.111 ( -5.713 5.016 -7.461) 10.652 8.563 ( 6.785 -5.239 3.436) 9.235 9.449 ( -0.694 3.678 -2.977) 4.782 9.640 ( 0.736 -1.106 1.225) 1.807 16.600 ( -0.540 0.174 0.580) 0.811 16.900 ( -1.588 0.141 0.970) 1.866 17.388 ( 0.106 0.185 0.526) 0.567 17.800 ( 4.769 -2.793 -8.385) 10.042 17.871 ( -1.171 1.098 -0.328) 1.638 18.164 ( -3.350 -0.608 7.359) 8.109 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -3.920 -2.548 9.550) 10.633 1.776 ( 1.644 -0.518 -3.615) 4.005 2.013 ( 2.261 -2.008 3.118) 4.343 2.713 ( 3.159 0.765 -4.453) 5.513 2.986 ( 5.452 -8.889 -4.885) 11.515 3.367 ( -3.760 4.090 5.624) 7.905 4.906 ( -0.709 2.410 4.446) 5.107 5.596 ( -3.469 2.028 -6.117) 7.319 5.788 ( 2.129 1.472 -7.280) 7.726 6.581 ( -0.827 -2.966 5.398) 6.215 6.877 ( -0.711 2.512 -4.527) 5.226 7.158 ( 3.836 -1.687 3.796) 5.654 7.807 ( -3.772 -6.554 -1.892) 7.795 7.980 ( 0.357 1.055 -2.264) 2.524 8.224 ( 11.096 -13.138 -10.934) 20.378 8.623 ( -3.884 -4.262 -1.624) 5.990 9.074 ( -2.704 11.904 8.501) 14.876 9.617 ( -0.823 0.605 2.021) 2.264 16.650 ( -0.393 -0.258 -0.206) 0.513 16.794 ( -0.586 2.242 2.217) 3.207 17.393 ( -1.374 -0.512 -1.399) 2.027 17.621 ( 1.583 0.144 0.006) 1.589 17.841 ( -3.720 0.638 2.532) 4.544 18.786 ( 8.673 -10.154 -9.489) 16.382 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -7.056 -6.757 8.522) 12.964 1.821 ( 5.601 -3.430 3.979) 7.679 2.055 ( 2.201 1.994 -2.692) 4.008 2.712 ( 0.369 -2.502 -2.817) 3.786 2.961 ( 1.736 -9.661 0.070) 9.816 3.421 ( 3.470 8.041 -1.149) 8.833 4.975 ( 0.958 4.689 7.164) 8.616 5.468 ( -8.893 4.529 -11.654) 15.344 5.791 ( 1.591 -0.869 -5.018) 5.335 6.572 ( 0.576 -5.343 5.783) 7.894 6.872 ( -0.387 2.692 -3.086) 4.113 7.252 ( 7.309 -4.429 7.657) 11.475 7.649 ( -3.654 -9.329 -5.225) 11.299 7.983 ( -0.247 1.811 -1.121) 2.144 8.061 ( -5.422 -20.783 2.732) 21.652 8.670 ( 8.551 5.289 -6.732) 12.100 9.177 ( -2.022 9.172 5.489) 10.879 9.622 ( -0.762 1.522 0.714) 1.846 16.642 ( 0.871 -0.716 -1.171) 1.625 16.815 ( -1.678 3.625 1.499) 4.267 17.377 ( -0.168 0.241 -0.084) 0.305 17.660 ( 1.569 1.510 0.940) 2.372 17.787 ( -4.105 0.240 1.703) 4.451 18.739 ( 6.432 -17.140 -5.771) 19.195 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -3.194 -5.478 7.300) 9.670 1.891 ( 4.996 -7.400 5.068) 10.266 2.083 ( 0.526 3.275 -4.181) 5.337 2.643 ( -4.770 -3.952 1.756) 6.439 2.879 ( 1.811 -10.600 -0.359) 10.759 3.589 ( 6.998 10.883 -5.585) 14.093 5.101 ( 1.697 6.528 10.626) 12.586 5.290 ( -9.225 4.691 -11.934) 15.796 5.763 ( 0.088 -2.138 -4.150) 4.669 6.576 ( 2.382 -6.142 6.604) 9.329 6.864 ( -1.157 1.879 -3.950) 4.525 7.371 ( 6.800 -10.436 6.903) 14.241 7.489 ( 0.730 -6.661 -5.147) 8.450 7.796 ( -10.274 -16.248 11.592) 22.448 7.997 ( 0.565 1.612 -0.443) 1.765 8.816 ( 5.513 5.538 -3.687) 8.640 9.235 ( -0.745 6.082 -1.100) 6.226 9.632 ( -0.549 2.459 0.122) 2.522 16.653 ( 1.543 -0.041 -1.476) 2.136 16.829 ( -0.919 3.934 -0.562) 4.078 17.378 ( -0.020 -0.227 0.399) 0.459 17.666 ( -3.446 1.394 0.129) 3.720 17.790 ( 1.538 2.581 4.394) 5.323 18.611 ( 2.790 -21.393 -1.780) 21.648 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 2.402 -5.177 7.387) 9.335 1.895 ( -0.029 -4.643 3.144) 5.607 2.035 ( -6.130 -3.382 -1.420) 7.144 2.575 ( 1.724 -3.046 1.133) 3.678 2.832 ( 1.781 -7.178 0.658) 7.425 3.719 ( 1.398 10.053 -10.108) 14.324 5.149 ( -3.531 3.829 -9.196) 10.568 5.275 ( 1.677 8.304 13.475) 15.916 5.714 ( -0.481 -3.137 -2.678) 4.153 6.618 ( 4.212 -5.399 7.864) 10.427 6.813 ( -2.766 -0.217 -5.906) 6.525 7.263 ( -0.717 -10.995 -5.806) 12.454 7.563 ( -3.428 -12.455 16.756) 21.158 7.610 ( 3.468 -3.876 6.676) 8.462 8.026 ( 1.541 1.328 0.041) 2.035 8.858 ( -4.787 3.902 -1.264) 6.304 9.283 ( 3.965 5.426 -7.190) 9.842 9.647 ( -0.678 2.062 0.504) 2.228 16.661 ( -0.315 0.567 -0.510) 0.825 16.863 ( 1.883 4.111 -3.239) 5.562 17.376 ( -0.269 -0.224 0.670) 0.756 17.622 ( -1.949 -0.090 -0.065) 1.952 17.887 ( 1.342 5.854 4.439) 7.468 18.428 ( -0.520 -21.994 3.504) 22.277 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 5.121 -4.789 9.049) 11.448 1.846 ( -6.740 -10.170 9.553) 15.496 1.848 ( -5.041 -0.339 -5.738) 7.645 2.636 ( 4.972 1.168 -3.258) 6.058 2.808 ( 2.145 -5.333 2.713) 6.356 3.682 ( -6.873 6.469 -12.447) 15.621 5.135 ( 2.674 4.523 -8.482) 9.977 5.468 ( 2.694 7.337 14.892) 16.818 5.668 ( 0.031 -3.457 -0.810) 3.551 6.645 ( -2.909 -3.940 1.910) 5.257 6.762 ( 3.091 -1.062 1.183) 3.476 7.147 ( -0.220 -6.721 -3.227) 7.459 7.425 ( -7.833 -7.307 13.691) 17.384 7.764 ( 9.588 -4.157 7.210) 12.697 8.072 ( 2.899 0.658 0.392) 2.998 8.738 ( -10.852 3.233 -4.660) 12.245 9.372 ( 5.136 5.015 -6.062) 9.395 9.645 ( -0.960 -0.080 -0.025) 0.964 16.649 ( -1.797 0.909 0.194) 2.023 16.910 ( 1.826 2.987 -4.016) 5.328 17.381 ( 0.185 0.546 1.103) 1.244 17.614 ( 2.005 -0.668 -1.420) 2.546 17.953 ( -1.266 3.676 -1.456) 4.152 18.272 ( -1.881 -14.319 12.675) 19.216 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -1.580 -7.074 5.837) 9.306 1.741 ( -4.555 2.336 -5.252) 7.334 1.786 ( 2.486 -8.662 13.875) 16.545 2.655 ( -2.185 4.195 -3.075) 5.642 2.860 ( 6.758 -3.053 -0.077) 7.416 3.523 ( -8.508 2.487 -9.912) 13.297 5.178 ( 2.861 2.825 -7.524) 8.531 5.641 ( -0.453 -1.257 11.781) 11.857 5.647 ( 4.362 2.237 -1.927) 5.267 6.548 ( -5.936 1.149 1.933) 6.348 6.846 ( 4.347 -1.317 4.009) 6.058 7.085 ( -0.785 -4.615 0.833) 4.755 7.363 ( -3.058 -0.316 9.861) 10.329 7.896 ( 6.059 -2.043 4.041) 7.564 8.131 ( 2.958 1.291 -0.655) 3.294 8.564 ( -8.616 1.662 -5.258) 10.230 9.446 ( 2.261 3.489 -3.693) 5.561 9.619 ( -0.085 -2.622 -0.950) 2.790 16.629 ( -1.831 0.995 0.351) 2.113 16.915 ( -0.535 -0.218 -2.601) 2.664 17.396 ( -0.107 0.205 1.158) 1.181 17.652 ( 5.017 -0.488 -4.761) 6.934 17.893 ( -2.622 -3.366 -1.860) 4.654 18.279 ( -1.650 2.203 14.677) 14.933 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 5.365 0.170 -8.401) 9.969 1.728 ( -2.759 -3.206 5.724) 7.117 1.968 ( 2.609 -3.050 -2.096) 4.528 2.621 ( 3.197 0.286 -2.917) 4.337 2.860 ( 1.150 -3.027 -3.009) 4.420 3.487 ( -4.182 -1.813 9.991) 10.981 5.007 ( -3.532 4.493 6.474) 8.636 5.585 ( 3.696 -0.366 2.668) 4.573 5.752 ( -1.326 2.635 -11.345) 11.722 6.613 ( -2.956 -2.117 2.635) 4.490 6.863 ( 1.538 2.518 -7.137) 7.723 7.116 ( 2.209 -0.023 -0.661) 2.306 7.681 ( 2.329 -13.174 -14.976) 20.082 7.875 ( 7.106 3.331 -5.199) 9.414 8.076 ( 0.511 1.988 -0.128) 2.056 8.656 ( -7.451 -9.333 3.896) 12.562 9.267 ( -3.030 9.876 6.184) 12.040 9.624 ( 1.276 -1.314 2.442) 3.053 16.657 ( -1.371 -0.848 -0.668) 1.745 16.838 ( 0.460 3.007 4.308) 5.274 17.405 ( -1.040 0.262 -1.691) 2.003 17.599 ( 0.537 -0.720 0.324) 0.955 17.897 ( -0.501 -0.981 4.200) 4.342 18.531 ( 4.067 -5.119 -16.077) 17.355 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -4.306 -5.716 3.334) 7.895 1.718 ( 3.097 -3.206 -0.778) 4.525 1.983 ( 5.126 -0.560 -8.184) 9.673 2.630 ( 2.129 -3.142 0.891) 3.898 2.905 ( 2.404 -0.684 2.700) 3.679 3.445 ( -2.076 -0.555 3.135) 3.801 5.070 ( -0.288 6.202 8.698) 10.687 5.573 ( -5.587 4.998 -7.846) 10.852 5.725 ( 2.039 -0.668 -5.759) 6.146 6.550 ( -1.533 -6.208 3.091) 7.102 6.874 ( 0.728 2.578 -3.934) 4.760 7.163 ( 4.298 -2.316 3.011) 5.736 7.507 ( 0.575 -11.222 -13.438) 17.517 7.950 ( 2.573 -0.843 -0.190) 2.714 8.077 ( -3.903 -3.046 5.904) 7.705 8.566 ( 3.106 0.163 -2.614) 4.063 9.330 ( -3.115 6.820 5.280) 9.170 9.639 ( 0.277 0.206 0.590) 0.684 16.624 ( -0.545 -1.134 -0.983) 1.597 16.880 ( -1.135 2.660 2.135) 3.595 17.389 ( -0.707 0.872 -0.793) 1.374 17.648 ( 3.224 2.461 3.393) 5.289 17.867 ( -4.168 -0.621 2.205) 4.756 18.452 ( 5.423 -12.089 -11.107) 17.289 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -6.172 -4.309 3.531) 8.315 1.749 ( 6.572 -5.743 -0.159) 8.729 2.019 ( 5.122 0.048 -8.214) 9.680 2.662 ( 1.459 -2.122 4.878) 5.516 2.852 ( -6.501 -6.820 5.774) 11.050 3.513 ( 7.441 5.204 -3.619) 9.775 5.198 ( 1.516 5.858 10.363) 12.000 5.449 ( -10.215 9.020 -10.517) 17.214 5.703 ( 1.079 -2.943 -5.408) 6.251 6.505 ( 1.894 -9.198 6.236) 11.272 6.875 ( -0.895 2.026 -4.295) 4.833 7.221 ( 4.436 -8.403 2.514) 9.829 7.378 ( 2.036 -3.604 -6.100) 7.372 7.906 ( -8.027 -10.527 14.131) 19.363 8.014 ( -1.590 1.384 0.299) 2.129 8.701 ( 10.570 6.327 -5.900) 13.659 9.341 ( -4.674 3.845 2.229) 6.450 9.650 ( 0.303 1.465 -0.673) 1.640 16.616 ( 1.310 -0.281 -1.328) 1.887 16.879 ( -1.785 1.931 -0.719) 2.727 17.384 ( -0.334 0.259 -0.133) 0.443 17.759 ( -2.002 6.476 2.639) 7.274 17.810 ( 0.152 -0.377 4.949) 4.966 18.350 ( 4.456 -17.016 -4.785) 18.229 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -1.951 -4.414 4.863) 6.851 1.817 ( 6.245 -2.795 -0.408) 6.854 2.022 ( 0.993 -3.880 -5.193) 6.559 2.597 ( -6.900 -5.918 5.590) 10.672 2.797 ( 0.496 -0.902 6.231) 6.315 3.664 ( 7.350 5.982 -8.905) 13.004 5.228 ( -6.122 3.873 -7.387) 10.346 5.428 ( -1.621 11.139 10.630) 15.482 5.649 ( 0.951 -4.738 -5.538) 7.349 6.525 ( 5.321 -8.628 9.833) 14.122 6.823 ( -3.022 0.175 -6.150) 6.855 7.157 ( 0.176 -7.596 -2.803) 8.099 7.462 ( 7.473 -0.562 5.660) 9.391 7.738 ( -10.415 -10.504 16.530) 22.182 8.025 ( 0.477 1.720 -0.340) 1.817 8.882 ( 6.122 5.635 -2.370) 8.651 9.291 ( -3.810 3.691 -4.081) 6.693 9.662 ( 0.121 0.694 -1.088) 1.296 16.643 ( 2.327 0.701 -1.165) 2.695 16.863 ( -0.557 1.817 -3.282) 3.793 17.384 ( -0.107 0.167 0.938) 0.958 17.696 ( -5.895 1.292 0.341) 6.045 17.936 ( 2.422 5.910 3.146) 7.119 18.245 ( 3.222 -17.215 6.351) 18.630 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 3.863 -4.823 8.660) 10.638 1.840 ( -0.589 -2.335 -6.433) 6.869 1.918 ( -5.048 -7.373 6.787) 11.221 2.542 ( 3.056 -1.849 0.874) 3.678 2.837 ( -2.012 2.817 6.159) 7.065 3.704 ( 0.201 2.839 -14.059) 14.345 5.147 ( -2.864 6.525 -7.819) 10.580 5.557 ( 0.640 0.410 2.062) 2.197 5.622 ( 1.667 1.077 7.201) 7.470 6.623 ( 6.306 -5.788 13.237) 15.764 6.732 ( -2.787 -0.340 -5.776) 6.422 7.090 ( -0.285 -4.126 -1.296) 4.334 7.560 ( -5.880 -6.704 14.036) 16.629 7.650 ( 5.086 -1.701 8.668) 10.193 8.052 ( 1.271 1.290 0.229) 1.825 8.900 ( -7.510 2.372 -1.775) 8.073 9.307 ( 4.352 6.243 -6.549) 10.040 9.643 ( -0.748 -1.989 -2.205) 3.063 16.673 ( 0.380 1.017 -0.115) 1.092 16.866 ( 2.153 1.659 -5.718) 6.332 17.395 ( -0.111 0.694 1.762) 1.897 17.628 ( -3.711 0.530 0.425) 3.772 17.947 ( -0.338 -4.155 -5.441) 6.855 18.275 ( 2.341 -3.171 19.398) 19.795 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 2.662 -8.675 6.435) 11.125 1.751 ( -1.086 -3.665 7.986) 8.854 1.830 ( -5.575 -2.929 3.098) 7.018 2.637 ( 8.156 2.420 -4.062) 9.427 2.850 ( -4.868 4.980 5.337) 8.774 3.575 ( -5.318 -1.454 -15.430) 16.386 5.160 ( 0.299 7.017 -6.010) 9.244 5.538 ( 3.603 -3.871 -6.426) 8.322 5.729 ( -0.507 2.263 12.657) 12.868 6.650 ( -3.527 1.375 1.152) 3.957 6.775 ( 6.001 -4.333 9.728) 12.224 7.060 ( 0.575 -3.121 2.172) 3.845 7.487 ( -4.897 -1.430 12.651) 13.641 7.804 ( 7.095 0.179 6.957) 9.939 8.094 ( 2.438 0.975 0.791) 2.742 8.727 ( -12.085 2.430 -6.434) 13.904 9.412 ( 4.136 5.134 -3.409) 7.422 9.579 ( -0.785 -4.906 -3.368) 6.002 16.670 ( -1.622 0.902 0.261) 1.874 16.877 ( 1.748 -0.231 -5.744) 6.008 17.409 ( -0.262 0.673 1.372) 1.550 17.600 ( -0.220 0.562 -0.400) 0.723 17.864 ( -0.357 -5.582 -2.078) 5.967 18.418 ( 0.181 4.869 17.808) 18.462 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.000 0.000 13.250) 13.250 1.640 ( 0.000 0.000 13.250) 13.250 2.251 ( 0.000 0.000 22.892) 22.892 2.688 ( -0.000 -0.000 -5.388) 5.388 2.688 ( -0.000 -0.000 -5.388) 5.388 3.704 ( -0.000 -0.000 -16.997) 16.997 5.154 ( -0.000 -0.000 -6.718) 6.718 5.154 ( 0.000 -0.000 -6.718) 6.718 6.021 ( -0.000 -0.000 -8.005) 8.005 6.678 ( 0.000 0.000 1.693) 1.693 6.678 ( 0.000 0.000 1.693) 1.693 7.746 ( 0.000 0.000 10.151) 10.151 7.746 ( 0.000 0.000 10.151) 10.151 7.749 ( 0.000 0.000 11.778) 11.778 8.089 ( 0.000 0.000 7.244) 7.244 9.073 ( -0.000 -0.000 -7.374) 7.374 9.073 ( 0.000 -0.000 -7.374) 7.374 9.628 ( -0.000 -0.000 -11.120) 11.120 16.680 ( -0.000 0.000 -0.071) 0.071 16.680 ( 0.000 0.000 -0.071) 0.071 17.512 ( -0.000 0.000 2.491) 2.491 17.512 ( 0.000 0.000 2.491) 2.491 17.586 ( 0.000 0.000 0.788) 0.788 19.553 ( -0.000 -0.000 -0.433) 0.433 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -2.499 -4.273 13.161) 14.061 1.802 ( 1.377 4.211 6.142) 7.573 2.291 ( -6.954 -1.109 11.229) 13.254 2.642 ( 3.054 -4.968 -0.809) 5.887 2.807 ( 8.021 7.307 2.334) 11.098 3.572 ( -4.357 -1.659 -14.156) 14.904 5.016 ( -4.823 -2.252 -3.941) 6.623 5.242 ( 7.343 3.468 -9.070) 12.175 5.953 ( -1.981 -1.468 -7.041) 7.460 6.647 ( -1.489 -0.836 3.479) 3.876 6.745 ( 2.843 1.620 -0.325) 3.288 7.562 ( -11.180 -8.336 12.771) 18.910 7.850 ( -0.626 5.444 5.706) 7.912 7.912 ( 2.841 2.566 4.089) 5.601 8.220 ( 9.288 -0.052 11.123) 14.492 8.899 ( -3.270 -10.536 -5.556) 12.352 9.105 ( -3.696 8.822 -11.650) 15.073 9.531 ( -1.674 -2.444 -5.457) 6.209 16.662 ( -0.622 -1.136 0.370) 1.347 16.707 ( 1.337 1.983 -0.553) 2.455 17.490 ( -3.573 1.372 1.182) 4.005 17.552 ( 3.100 -1.310 1.376) 3.636 17.627 ( 3.045 1.408 1.350) 3.616 19.465 ( -7.591 -4.765 -0.453) 8.974 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 1.199 -4.779 11.029) 12.080 1.837 ( -2.586 3.439 0.093) 4.304 2.195 ( -7.311 -1.952 3.423) 8.305 2.664 ( 3.029 -1.734 0.622) 3.545 3.055 ( 9.840 5.579 9.239) 14.605 3.374 ( -8.638 -2.296 -11.739) 14.755 4.926 ( -2.944 -0.927 0.303) 3.102 5.343 ( 8.876 3.429 -12.095) 15.390 5.859 ( -2.859 -2.630 -4.988) 6.322 6.650 ( -1.061 0.088 5.300) 5.406 6.790 ( 2.347 0.743 -2.527) 3.528 7.393 ( -10.215 -6.414 11.951) 16.979 7.908 ( -0.097 3.265 2.937) 4.393 7.942 ( -1.673 1.586 -2.084) 3.108 8.456 ( 11.584 -0.270 8.146) 14.164 8.679 ( -5.438 -16.334 -7.741) 18.876 9.005 ( -10.123 12.505 -7.366) 17.695 9.527 ( 3.649 -0.539 0.551) 3.729 16.647 ( -0.201 -1.235 0.717) 1.442 16.746 ( 1.224 2.494 -0.734) 2.873 17.447 ( -3.362 1.465 -0.645) 3.723 17.592 ( 2.294 -1.389 1.083) 2.892 17.713 ( 4.600 2.289 0.729) 5.190 19.234 ( -12.533 -8.278 -1.615) 15.106 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 1.385 -6.554 1.965) 6.981 1.834 ( -2.483 3.690 4.029) 6.001 2.084 ( -4.287 -3.517 0.936) 5.623 2.687 ( -0.330 0.636 -1.318) 1.500 3.110 ( -10.881 -2.837 -7.348) 13.433 3.325 ( 8.469 4.833 8.201) 12.741 4.917 ( -0.044 1.258 4.865) 5.025 5.444 ( 9.264 2.840 -14.008) 17.032 5.763 ( -3.047 -3.463 -2.091) 5.065 6.670 ( -1.641 1.232 6.683) 6.991 6.800 ( 1.668 -1.076 -4.901) 5.287 7.260 ( -7.918 -4.062 8.997) 12.655 7.864 ( -2.890 -2.941 -6.221) 7.463 7.957 ( 1.273 1.429 0.070) 1.915 8.299 ( -13.852 -10.019 -15.091) 22.804 8.688 ( 8.024 2.121 4.949) 9.663 9.004 ( -0.807 7.023 5.537) 8.979 9.596 ( 3.382 0.719 0.854) 3.562 16.644 ( 0.568 -1.009 0.742) 1.375 16.780 ( 0.943 1.765 0.028) 2.002 17.411 ( -1.687 1.178 -1.576) 2.592 17.612 ( 0.592 -0.235 0.720) 0.962 17.816 ( 4.803 2.569 0.385) 5.460 18.912 ( -14.470 -9.918 -4.910) 18.217 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -0.165 -6.009 -6.745) 9.035 1.847 ( -2.842 0.624 6.207) 6.855 2.020 ( -2.326 -2.254 2.073) 3.846 2.626 ( -4.999 0.015 -4.900) 7.000 2.902 ( -5.780 -1.435 -6.660) 8.934 3.540 ( 6.021 3.759 10.910) 13.015 5.000 ( 2.557 3.991 7.623) 8.976 5.524 ( 7.485 2.041 -13.083) 15.211 5.677 ( -2.638 -3.989 0.364) 4.796 6.696 ( -2.199 2.747 6.319) 7.232 6.759 ( 0.700 -4.575 -7.756) 9.032 7.165 ( -5.433 -2.423 4.782) 7.632 7.739 ( 0.325 -9.884 -8.205) 12.850 7.861 ( -15.183 1.794 -15.526) 21.789 8.034 ( 0.853 -1.835 -1.601) 2.580 8.823 ( 1.078 7.518 2.448) 7.979 9.141 ( 6.805 0.968 8.932) 11.271 9.643 ( 0.910 0.484 1.055) 1.475 16.654 ( 1.090 -0.409 0.386) 1.226 16.814 ( 1.516 0.256 2.335) 2.796 17.397 ( -0.135 0.665 -1.799) 1.923 17.620 ( -0.715 1.946 0.147) 2.078 17.910 ( 3.408 1.888 1.679) 4.243 18.557 ( -12.456 -9.166 -10.865) 18.900 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -1.717 -7.896 10.825) 13.508 1.868 ( 1.846 5.847 4.107) 7.380 2.325 ( 2.004 -10.477 7.568) 13.079 2.661 ( -4.670 0.830 -1.934) 5.122 2.821 ( 2.094 13.356 5.980) 14.783 3.506 ( 0.655 -3.140 -11.608) 12.043 5.014 ( 0.572 -2.893 -2.826) 4.084 5.166 ( -0.816 4.167 -8.406) 9.417 5.916 ( -0.197 -1.885 -6.361) 6.637 6.660 ( 0.019 -1.771 3.029) 3.509 6.749 ( -0.036 3.270 -0.200) 3.276 7.709 ( -6.460 -8.386 10.844) 15.154 7.782 ( 7.775 -4.352 8.252) 12.144 7.937 ( 1.999 1.863 1.313) 3.032 8.278 ( -3.852 5.395 8.951) 11.138 8.823 ( -4.903 -11.959 -5.946) 14.227 9.093 ( 7.028 5.283 -7.791) 11.747 9.506 ( -1.385 0.696 -6.262) 6.451 16.675 ( -1.544 -0.239 0.029) 1.562 16.695 ( 1.821 1.481 -0.276) 2.363 17.493 ( 2.304 -3.137 0.845) 3.983 17.564 ( -2.106 2.166 1.318) 3.296 17.630 ( -0.210 2.730 1.212) 2.995 19.459 ( -0.252 -9.671 -0.263) 9.678 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.351 -6.386 9.740) 11.652 1.918 ( -2.276 3.824 -0.388) 4.467 2.238 ( -3.812 -10.027 1.550) 10.839 2.647 ( 1.289 1.747 2.213) 3.100 3.041 ( 6.083 9.805 7.405) 13.710 3.394 ( -4.074 -2.035 -10.236) 11.203 4.970 ( -2.362 -0.144 1.385) 2.742 5.186 ( 5.382 2.253 -10.296) 11.834 5.847 ( -1.805 -2.501 -4.250) 5.251 6.673 ( 0.719 -0.717 4.012) 4.138 6.774 ( 0.178 2.228 -1.733) 2.828 7.560 ( -9.468 -7.522 12.153) 17.144 7.877 ( 3.565 -1.333 0.938) 3.920 7.970 ( -0.701 -1.778 -3.794) 4.248 8.330 ( 6.701 -7.117 10.830) 14.590 8.620 ( -6.447 -6.828 -4.070) 10.234 9.160 ( -0.935 8.956 -9.661) 13.207 9.482 ( 1.088 1.227 -0.083) 1.642 16.650 ( -1.071 -0.879 0.522) 1.481 16.742 ( 1.848 2.849 -1.130) 3.579 17.478 ( -0.696 -2.586 -1.729) 3.187 17.577 ( 0.285 2.126 2.177) 3.056 17.679 ( 2.399 2.430 1.084) 3.583 19.287 ( -7.157 -13.756 -0.201) 15.508 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -1.310 -4.052 4.860) 6.461 1.911 ( -0.928 1.621 2.845) 3.403 2.076 ( -4.110 -10.141 -0.788) 10.971 2.706 ( 1.011 2.947 0.039) 3.116 3.180 ( -5.028 -5.466 -3.277) 8.118 3.298 ( 3.889 8.260 1.056) 9.191 4.982 ( -0.731 3.577 6.894) 7.801 5.244 ( 7.763 1.773 -12.684) 14.976 5.772 ( -2.485 -2.770 -1.185) 3.906 6.711 ( 1.058 -0.051 4.208) 4.339 6.769 ( -0.770 0.565 -2.770) 2.930 7.419 ( -9.296 -5.609 11.862) 16.081 7.793 ( -3.537 -10.754 -10.764) 15.621 7.943 ( 1.979 0.271 0.886) 2.185 8.355 ( -7.622 -8.828 -5.815) 13.032 8.535 ( 8.300 -1.079 6.715) 10.731 9.165 ( -3.364 10.578 -3.949) 11.782 9.548 ( 3.763 1.385 1.749) 4.375 16.633 ( -0.283 -1.330 0.921) 1.642 16.787 ( 1.045 3.221 -1.221) 3.599 17.428 ( -1.326 -1.400 -2.173) 2.906 17.619 ( 0.693 2.311 1.748) 2.980 17.759 ( 4.276 2.221 -0.063) 4.819 18.991 ( -11.934 -15.775 -1.169) 19.815 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -3.837 -1.976 -2.001) 4.757 1.900 ( -3.966 -6.305 3.510) 8.235 1.994 ( 3.769 -3.804 4.489) 6.988 2.704 ( -3.770 3.290 -4.254) 6.567 2.954 ( -9.689 -3.371 -8.281) 13.184 3.488 ( 8.756 1.234 6.592) 11.030 5.088 ( 0.375 8.119 10.713) 13.447 5.319 ( 9.131 2.154 -14.127) 16.958 5.706 ( -2.908 -2.989 2.418) 4.821 6.688 ( -1.947 -4.174 -6.093) 7.638 6.776 ( -0.288 2.014 5.759) 6.108 7.291 ( -9.028 -4.176 8.926) 13.365 7.576 ( -0.421 -13.106 -10.044) 16.518 7.985 ( 1.339 1.308 0.065) 1.873 8.053 ( -14.793 0.005 -14.452) 20.681 8.727 ( 11.819 -4.174 6.415) 14.081 9.211 ( -1.503 8.858 1.632) 9.132 9.622 ( 2.782 1.008 1.078) 3.149 16.630 ( 0.839 -1.613 1.164) 2.159 16.822 ( 0.506 2.657 0.199) 2.712 17.394 ( -0.461 -0.470 -1.464) 1.605 17.661 ( -0.143 4.352 0.703) 4.410 17.848 ( 5.334 1.404 -1.715) 5.776 18.622 ( -14.150 -15.270 -3.289) 21.076 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -4.088 -6.706 9.862) 12.607 1.869 ( 5.558 4.666 0.101) 7.258 2.217 ( 3.388 -9.309 4.452) 10.861 2.693 ( -0.945 1.619 -2.116) 2.827 3.031 ( -6.478 10.208 7.096) 14.019 3.362 ( 5.388 -4.549 -8.579) 11.105 4.956 ( 2.541 -0.834 1.479) 3.056 5.214 ( -6.147 4.070 -10.603) 12.914 5.856 ( 1.384 -1.732 -4.957) 5.430 6.666 ( -0.230 -1.589 4.111) 4.413 6.780 ( -0.632 2.960 -1.752) 3.497 7.589 ( 11.908 -6.715 11.616) 17.939 7.812 ( -5.221 -7.775 4.895) 10.567 7.929 ( 0.222 1.214 -1.301) 1.793 8.439 ( -8.112 -1.558 2.930) 8.765 8.735 ( 2.132 -10.890 -8.973) 14.271 8.957 ( 7.596 7.236 -0.272) 10.494 9.529 ( -1.846 3.341 -2.091) 4.352 16.671 ( 1.212 -0.024 -0.359) 1.265 16.712 ( -1.809 1.437 0.382) 2.342 17.434 ( 1.748 -3.195 0.717) 3.712 17.614 ( -1.043 2.188 0.270) 2.439 17.685 ( -2.444 2.769 0.620) 3.745 19.298 ( 6.672 -12.923 -0.880) 14.570 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -0.731 -6.445 9.190) 11.249 1.960 ( 0.055 4.312 -3.748) 5.714 2.186 ( 0.554 -10.258 3.939) 11.002 2.654 ( -1.270 -0.539 0.364) 1.427 3.104 ( 0.682 4.390 4.448) 6.287 3.360 ( 1.332 2.886 -7.756) 8.382 5.007 ( 0.933 1.781 4.824) 5.226 5.116 ( -1.697 2.021 -9.598) 9.955 5.821 ( -0.356 -2.211 -3.390) 4.063 6.677 ( 0.535 -0.984 4.147) 4.295 6.788 ( -0.476 2.464 -2.453) 3.510 7.667 ( -5.554 -8.950 6.695) 12.481 7.763 ( 8.454 -5.607 3.868) 10.856 7.938 ( -0.105 -0.128 -1.915) 1.922 8.237 ( -3.528 -17.371 6.077) 18.738 8.688 ( -3.283 3.016 -0.875) 4.543 9.110 ( 6.118 6.000 -7.323) 11.272 9.520 ( -1.725 3.968 -0.610) 4.370 16.666 ( -0.940 -0.525 -0.264) 1.109 16.733 ( 1.350 2.883 -0.277) 3.196 17.435 ( 1.094 -3.113 -0.087) 3.301 17.611 ( -0.903 1.435 0.368) 1.735 17.700 ( -0.195 3.597 1.212) 3.801 19.203 ( -0.427 -17.491 0.124) 17.497 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 1.008 -3.491 9.212) 9.903 1.917 ( -2.243 -0.331 -6.487) 6.871 2.079 ( -5.371 -8.211 3.831) 10.533 2.681 ( 3.469 -0.291 0.678) 3.547 3.123 ( 1.537 -8.385 0.598) 8.546 3.378 ( -2.358 11.591 -6.581) 13.536 5.066 ( 0.813 3.818 1.606) 4.221 5.115 ( 2.925 3.327 -1.317) 4.622 5.772 ( -1.265 -2.436 -0.955) 2.907 6.712 ( 0.999 -0.224 3.709) 3.848 6.775 ( -0.772 0.846 -2.951) 3.165 7.531 ( -4.046 -9.068 3.115) 10.407 7.714 ( -7.187 -9.957 -3.646) 12.809 7.916 ( 1.919 -1.694 2.981) 3.930 8.209 ( 8.482 -13.754 10.334) 19.181 8.612 ( -8.782 4.743 -3.211) 10.484 9.196 ( 4.108 7.052 -9.403) 12.451 9.552 ( 0.341 3.488 2.670) 4.406 16.642 ( -1.304 -0.656 0.591) 1.575 16.786 ( 1.942 3.626 -1.493) 4.376 17.408 ( -0.242 -2.347 -1.356) 2.722 17.628 ( 1.267 0.898 0.661) 1.688 17.751 ( 0.783 4.278 1.373) 4.560 18.977 ( -6.520 -19.598 1.109) 20.684 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -5.654 0.800 2.283) 6.150 1.854 ( 1.058 -8.647 -2.013) 8.941 1.971 ( -1.804 -3.291 6.727) 7.703 2.712 ( 0.902 -1.207 -2.555) 2.966 3.017 ( -4.739 -5.242 -4.806) 8.546 3.422 ( 2.004 4.291 -1.460) 4.956 5.134 ( 7.166 2.363 -10.837) 13.205 5.240 ( 0.453 9.880 13.513) 16.746 5.730 ( -1.483 -2.437 2.081) 3.531 6.671 ( -3.782 -3.060 -4.992) 6.971 6.804 ( 2.100 1.260 4.252) 4.907 7.405 ( 0.191 -11.294 -8.044) 13.867 7.470 ( -11.847 -7.145 10.292) 17.243 7.960 ( 2.316 -0.312 1.724) 2.904 8.178 ( -6.899 -4.107 -6.098) 10.082 8.568 ( 4.420 -1.645 3.791) 6.051 9.273 ( 2.488 7.466 -5.747) 9.745 9.608 ( 1.367 1.930 2.204) 3.233 16.622 ( -0.719 -0.947 1.041) 1.580 16.837 ( 1.127 3.660 -1.160) 4.001 17.384 ( 0.075 -0.702 -0.896) 1.141 17.675 ( 3.222 1.777 -0.682) 3.743 17.804 ( 0.477 3.493 -0.198) 3.531 18.667 ( -10.824 -18.430 2.268) 21.494 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -5.706 -6.732 3.187) 9.383 1.798 ( 7.832 4.667 1.726) 9.279 2.109 ( 2.619 -6.630 0.864) 7.181 2.701 ( 1.146 1.619 -1.816) 2.689 3.134 ( 6.027 -8.471 -0.844) 10.430 3.286 ( -5.844 7.499 3.202) 10.032 4.953 ( 0.991 1.683 5.957) 6.269 5.300 ( -7.709 5.217 -13.327) 16.256 5.789 ( 2.219 -1.364 -3.023) 3.991 6.680 ( -0.296 -2.645 5.368) 5.991 6.798 ( -0.058 2.806 -3.511) 4.494 7.410 ( 10.526 -6.541 10.729) 16.392 7.792 ( -1.840 -8.658 -4.828) 10.082 7.944 ( -0.618 1.630 -0.899) 1.961 8.397 ( 10.116 -13.484 -10.508) 19.864 8.568 ( -3.892 -0.065 -0.162) 3.895 9.041 ( -1.959 9.107 8.583) 12.667 9.584 ( -2.175 2.643 -0.784) 3.511 16.652 ( 0.420 -0.703 -0.436) 0.928 16.765 ( -1.973 2.579 0.995) 3.396 17.392 ( 0.802 -1.872 0.381) 2.072 17.634 ( 0.729 1.493 -0.091) 1.664 17.765 ( -4.338 2.403 -0.116) 4.960 19.011 ( 11.733 -14.387 -2.856) 18.783 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -2.727 -6.837 4.294) 8.522 1.959 ( 4.483 5.601 -2.138) 7.486 2.073 ( 2.933 -9.316 0.426) 9.776 2.693 ( -2.798 -0.379 0.827) 2.942 3.092 ( -0.102 -10.066 3.413) 10.630 3.359 ( 2.616 11.083 -3.590) 11.940 5.047 ( 1.842 4.877 8.142) 9.668 5.152 ( -6.385 3.002 -10.565) 12.704 5.781 ( 0.795 -1.979 -2.456) 3.252 6.682 ( 0.328 -2.263 4.720) 5.245 6.801 ( -0.444 2.385 -3.624) 4.361 7.580 ( 9.882 -6.449 5.224) 12.905 7.630 ( -0.954 -12.399 -2.401) 12.665 7.951 ( -0.435 1.859 -0.185) 1.918 8.200 ( -7.041 -18.846 8.320) 21.770 8.671 ( 8.061 6.420 -7.158) 12.547 9.117 ( -2.521 6.808 1.962) 7.520 9.575 ( -1.269 3.427 -1.278) 3.871 16.652 ( 1.057 -0.668 -1.196) 1.731 16.767 ( -1.671 3.037 0.982) 3.603 17.399 ( 0.938 -1.670 1.143) 2.230 17.641 ( -1.508 1.303 -0.734) 2.124 17.748 ( -0.798 3.434 1.080) 3.687 18.986 ( 5.955 -19.254 -0.624) 20.163 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 3.005 -5.583 6.171) 8.848 1.941 ( -4.052 0.231 -6.584) 7.735 2.081 ( 1.325 -4.491 2.068) 5.119 2.646 ( -1.054 -2.355 2.558) 3.633 3.018 ( 0.809 -10.954 2.488) 11.262 3.467 ( 0.369 11.869 -7.542) 14.067 5.040 ( -2.182 2.006 -9.059) 9.531 5.202 ( 1.949 7.707 12.940) 15.187 5.754 ( -0.020 -2.602 -1.106) 2.828 6.712 ( 1.747 -1.275 5.386) 5.804 6.775 ( -1.467 0.677 -5.269) 5.512 7.430 ( -1.434 -12.030 -9.655) 15.492 7.730 ( 4.796 -4.974 7.981) 10.557 7.913 ( -4.960 -7.177 8.429) 12.131 8.056 ( 2.419 -10.080 8.788) 13.590 8.757 ( -2.917 5.672 -2.936) 7.022 9.132 ( 1.816 5.755 -8.113) 10.112 9.598 ( -0.064 3.625 0.553) 3.668 16.654 ( 0.030 -0.119 -0.488) 0.503 16.786 ( 0.589 3.124 -0.710) 3.257 17.393 ( -0.453 -1.423 0.551) 1.592 17.622 ( -0.574 0.107 -0.389) 0.701 17.801 ( 0.432 5.422 1.921) 5.769 18.849 ( 0.075 -21.189 2.309) 21.315 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 4.953 -4.642 8.154) 10.610 1.816 ( -6.371 0.031 -7.394) 9.760 2.017 ( -4.026 -4.703 3.405) 7.066 2.654 ( 2.474 -3.142 1.027) 4.129 2.947 ( 0.968 -8.741 0.519) 8.810 3.486 ( -3.681 8.331 -8.208) 12.261 5.019 ( 2.962 2.636 -8.235) 9.140 5.395 ( 1.766 9.472 14.728) 17.600 5.727 ( 0.118 -2.898 0.984) 3.063 6.682 ( -4.017 -2.142 -5.313) 6.997 6.791 ( 3.360 0.273 4.620) 5.720 7.262 ( -0.495 -9.409 -7.630) 12.124 7.658 ( -10.642 -6.794 12.787) 17.969 7.912 ( 4.464 -5.244 6.263) 9.309 8.102 ( 5.247 -6.318 3.880) 9.083 8.650 ( -10.381 3.586 -3.788) 11.618 9.218 ( 6.447 6.873 -8.414) 12.633 9.629 ( -0.027 1.995 0.715) 2.120 16.642 ( -1.353 0.025 0.555) 1.462 16.833 ( 2.241 3.317 -2.302) 4.617 17.378 ( -0.320 -0.038 0.294) 0.436 17.625 ( 1.657 -0.934 -0.490) 1.964 17.860 ( -0.780 5.450 0.436) 5.523 18.645 ( -4.839 -18.887 6.417) 20.526 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.000 0.000 4.959) 4.959 1.794 ( 0.000 0.000 4.959) 4.959 2.558 ( 0.000 0.000 12.241) 12.241 2.637 ( -0.000 -0.000 -0.861) 0.861 2.637 ( 0.000 -0.000 -0.861) 0.861 3.481 ( -0.000 -0.000 -8.602) 8.602 5.055 ( -0.000 -0.000 -4.408) 4.408 5.055 ( 0.000 -0.000 -4.408) 4.408 5.899 ( -0.000 -0.000 -5.568) 5.568 6.704 ( -0.000 0.000 1.161) 1.161 6.704 ( 0.000 0.000 1.161) 1.161 7.850 ( 0.000 0.000 1.935) 1.935 7.896 ( 0.000 0.000 6.681) 6.681 7.896 ( 0.000 0.000 6.681) 6.681 8.272 ( 0.000 0.000 11.217) 11.217 8.959 ( -0.000 -0.000 -5.301) 5.301 8.959 ( 0.000 -0.000 -5.301) 5.301 9.446 ( -0.000 -0.000 -9.113) 9.113 16.679 ( 0.000 0.000 0.004) 0.004 16.679 ( 0.000 0.000 0.004) 0.004 17.546 ( 0.000 0.000 1.399) 1.399 17.546 ( 0.000 0.000 1.399) 1.399 17.597 ( 0.000 0.000 0.446) 0.446 19.547 ( -0.000 -0.000 -0.249) 0.249 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 0.060 -4.480 6.695) 8.055 1.837 ( -2.074 3.203 -0.942) 3.931 2.400 ( -10.008 -4.749 2.703) 11.403 2.643 ( 1.911 -0.900 0.584) 2.191 2.890 ( 12.280 7.912 4.616) 15.321 3.398 ( -4.211 -2.040 -5.750) 7.413 4.986 ( -2.268 -0.875 0.740) 2.541 5.097 ( 4.228 1.778 -7.196) 8.534 5.855 ( -1.429 -0.907 -3.719) 4.086 6.701 ( 0.081 0.049 2.679) 2.681 6.734 ( 1.247 0.695 -1.061) 1.778 7.758 ( -9.036 -6.333 9.263) 14.407 7.892 ( 1.168 -0.286 0.980) 1.551 7.953 ( -2.470 2.438 -0.593) 3.521 8.398 ( 6.354 1.723 7.497) 9.977 8.821 ( -4.614 -12.602 -4.705) 14.221 8.945 ( -4.404 8.862 -4.400) 10.830 9.447 ( 4.080 1.178 -3.687) 5.624 16.670 ( -0.387 -0.837 0.416) 1.011 16.698 ( 1.155 1.408 -0.461) 1.879 17.502 ( -3.895 -0.531 0.258) 3.939 17.572 ( 2.314 -0.380 0.834) 2.489 17.644 ( 2.829 1.638 0.560) 3.317 19.458 ( -7.998 -4.754 -0.274) 9.308 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -2.500 -6.232 -2.162) 7.055 1.863 ( 0.083 4.789 5.417) 7.230 2.221 ( -7.572 -5.011 -0.055) 9.080 2.668 ( 0.643 0.453 -0.537) 0.953 3.168 ( 8.590 5.136 -0.495) 10.021 3.255 ( -4.969 -2.273 1.786) 5.749 4.980 ( -0.651 0.571 5.820) 5.884 5.143 ( 5.822 1.975 -10.416) 12.095 5.801 ( -2.049 -1.334 -1.303) 2.770 6.732 ( 0.643 0.788 4.066) 4.191 6.741 ( 0.692 -0.060 -3.237) 3.311 7.596 ( -10.871 -6.078 10.832) 16.506 7.865 ( -3.387 -2.687 -6.627) 7.913 7.927 ( 0.548 1.551 0.065) 1.646 8.427 ( -10.187 -7.509 -12.275) 17.630 8.635 ( 2.489 -0.266 4.361) 5.029 8.997 ( 2.037 5.033 4.745) 7.211 9.523 ( 4.466 1.657 -0.639) 4.807 16.659 ( -0.355 -0.685 0.569) 0.959 16.735 ( 1.945 1.633 -0.461) 2.581 17.437 ( -3.101 -0.725 -0.405) 3.211 17.608 ( 1.407 0.057 0.626) 1.541 17.715 ( 3.922 2.142 -0.448) 4.491 19.212 ( -14.362 -8.551 -0.924) 16.740 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -1.086 -5.033 5.436) 7.487 1.869 ( 1.013 2.945 -2.939) 4.283 2.406 ( 0.416 -11.867 2.047) 12.050 2.648 ( -0.860 0.994 -0.062) 1.316 2.910 ( 0.410 14.810 2.645) 15.050 3.378 ( 0.173 -4.022 -3.244) 5.170 5.010 ( 0.600 0.367 2.504) 2.601 5.042 ( -0.714 1.155 -5.489) 5.655 5.840 ( -0.034 -1.470 -2.007) 2.488 6.706 ( 0.033 -0.274 2.231) 2.248 6.736 ( -0.041 1.775 -1.382) 2.250 7.839 ( -1.665 -4.541 0.452) 4.858 7.872 ( 0.167 -4.807 6.068) 7.743 7.936 ( 2.303 -1.601 -1.720) 3.290 8.415 ( -0.856 2.368 5.508) 6.056 8.767 ( -2.774 -11.636 -0.285) 11.965 8.971 ( 3.465 4.387 -5.557) 7.882 9.428 ( -0.585 4.986 -1.955) 5.387 16.675 ( -0.450 -0.502 -0.152) 0.691 16.693 ( 0.510 1.467 0.108) 1.556 17.502 ( 0.666 -3.895 0.258) 3.960 17.578 ( -0.660 1.910 0.233) 2.034 17.645 ( -0.009 2.998 0.467) 3.034 19.456 ( -0.057 -9.552 -0.021) 9.553 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -3.467 -3.272 3.500) 5.914 1.874 ( 2.360 1.014 -3.126) 4.045 2.256 ( -5.900 -9.516 -0.027) 11.197 2.673 ( 1.287 1.550 0.899) 2.206 3.112 ( 6.694 11.983 -0.740) 13.746 3.287 ( -3.709 -6.379 -0.871) 7.430 5.021 ( 1.248 0.512 -2.981) 3.272 5.062 ( 0.885 3.162 3.595) 4.869 5.809 ( -1.040 -1.831 0.196) 2.114 6.721 ( -0.260 0.288 -0.779) 0.870 6.746 ( 1.103 1.217 0.792) 1.823 7.718 ( -4.148 -9.034 2.238) 10.189 7.833 ( -5.049 -5.467 -3.326) 8.151 7.919 ( 0.887 0.459 -0.618) 1.174 8.498 ( 1.311 3.641 1.170) 4.042 8.569 ( -6.753 -13.980 5.003) 16.311 9.021 ( 3.149 5.942 -6.358) 9.255 9.494 ( 2.424 4.220 1.583) 5.118 16.662 ( -0.534 -0.904 0.695) 1.260 16.724 ( 1.329 2.401 -0.921) 2.894 17.451 ( -1.631 -3.130 -1.320) 3.769 17.607 ( 0.948 1.882 1.135) 2.393 17.689 ( 1.698 2.893 0.131) 3.357 19.287 ( -7.668 -13.271 0.304) 15.330 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 3.09e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.000 0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 6.715 ( 0.000 0.000 0.000) 0.000 6.715 ( 0.000 0.000 0.000) 0.000 7.863 ( 0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 8.384 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 0.000) 0.000 9.358 ( 0.000 0.000 0.000) 0.000 16.679 ( 0.000 0.000 0.000) 0.000 16.679 ( 0.000 0.000 0.000) 0.000 17.559 ( 0.000 0.000 0.000) 0.000 17.559 ( 0.000 0.000 0.000) 0.000 17.601 ( 0.000 0.000 0.000) 0.000 19.545 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/41472 10.0 141.266 141.266 209.301 0.000 -0.000 0.000 3/41472 20.0 50.587 50.587 70.835 0.000 -0.000 0.000 3/41472 30.0 27.331 27.331 37.394 0.000 -0.000 0.000 3/41472 40.0 18.299 18.299 24.770 0.000 -0.000 0.000 3/41472 50.0 13.665 13.665 18.439 0.000 -0.000 0.000 3/41472 60.0 10.842 10.842 14.642 0.000 -0.000 0.000 3/41472 70.0 8.945 8.945 12.112 0.000 -0.000 0.000 3/41472 80.0 7.593 7.593 10.311 0.000 -0.000 0.000 3/41472 90.0 6.587 6.587 8.970 0.000 -0.000 0.000 3/41472 100.0 5.814 5.814 7.936 0.000 -0.000 0.000 3/41472 110.0 5.203 5.203 7.116 0.000 -0.000 0.000 3/41472 120.0 4.711 4.711 6.452 0.000 -0.000 0.000 3/41472 130.0 4.306 4.306 5.903 0.000 -0.000 0.000 3/41472 140.0 3.967 3.967 5.443 0.000 -0.000 0.000 3/41472 150.0 3.680 3.680 5.051 0.000 -0.000 0.000 3/41472 160.0 3.434 3.434 4.713 0.000 -0.000 0.000 3/41472 170.0 3.220 3.220 4.419 0.000 -0.000 0.000 3/41472 180.0 3.032 3.032 4.161 0.000 -0.000 0.000 3/41472 190.0 2.867 2.867 3.933 0.000 -0.000 0.000 3/41472 200.0 2.719 2.719 3.729 0.000 -0.000 0.000 3/41472 210.0 2.587 2.587 3.546 0.000 -0.000 0.000 3/41472 220.0 2.468 2.468 3.381 0.000 -0.000 0.000 3/41472 230.0 2.360 2.360 3.231 0.000 -0.000 0.000 3/41472 240.0 2.261 2.261 3.094 0.000 -0.000 0.000 3/41472 250.0 2.171 2.171 2.969 0.000 -0.000 0.000 3/41472 260.0 2.088 2.088 2.853 0.000 -0.000 0.000 3/41472 270.0 2.011 2.011 2.747 0.000 -0.000 0.000 3/41472 280.0 1.940 1.940 2.649 0.000 -0.000 0.000 3/41472 290.0 1.874 1.874 2.557 0.000 -0.000 0.000 3/41472 300.0 1.813 1.813 2.472 0.000 -0.000 0.000 3/41472 310.0 1.755 1.755 2.392 0.000 -0.000 0.000 3/41472 320.0 1.701 1.701 2.317 0.000 -0.000 0.000 3/41472 330.0 1.651 1.651 2.247 0.000 -0.000 0.000 3/41472 340.0 1.603 1.603 2.181 0.000 -0.000 0.000 3/41472 350.0 1.558 1.558 2.119 0.000 -0.000 0.000 3/41472 360.0 1.516 1.516 2.061 0.000 -0.000 0.000 3/41472 370.0 1.476 1.476 2.005 0.000 -0.000 0.000 3/41472 380.0 1.438 1.438 1.953 0.000 -0.000 0.000 3/41472 390.0 1.402 1.402 1.903 0.000 -0.000 0.000 3/41472 400.0 1.368 1.368 1.856 0.000 -0.000 0.000 3/41472 410.0 1.335 1.335 1.811 0.000 -0.000 0.000 3/41472 420.0 1.304 1.304 1.768 0.000 -0.000 0.000 3/41472 430.0 1.274 1.274 1.727 0.000 -0.000 0.000 3/41472 440.0 1.246 1.246 1.688 0.000 -0.000 0.000 3/41472 450.0 1.219 1.219 1.651 0.000 -0.000 0.000 3/41472 460.0 1.193 1.193 1.616 0.000 -0.000 0.000 3/41472 470.0 1.168 1.168 1.582 0.000 -0.000 0.000 3/41472 480.0 1.144 1.144 1.549 0.000 -0.000 0.000 3/41472 490.0 1.121 1.121 1.517 0.000 -0.000 0.000 3/41472 500.0 1.099 1.099 1.487 0.000 -0.000 0.000 3/41472 510.0 1.078 1.078 1.458 0.000 -0.000 0.000 3/41472 520.0 1.058 1.058 1.431 0.000 -0.000 0.000 3/41472 530.0 1.038 1.038 1.404 0.000 -0.000 0.000 3/41472 540.0 1.019 1.019 1.378 0.000 -0.000 0.000 3/41472 550.0 1.001 1.001 1.353 0.000 -0.000 0.000 3/41472 560.0 0.984 0.984 1.329 0.000 -0.000 0.000 3/41472 570.0 0.967 0.967 1.306 0.000 -0.000 0.000 3/41472 580.0 0.950 0.950 1.284 0.000 -0.000 0.000 3/41472 590.0 0.934 0.934 1.262 0.000 -0.000 0.000 3/41472 600.0 0.919 0.919 1.241 0.000 -0.000 0.000 3/41472 610.0 0.904 0.904 1.221 0.000 -0.000 0.000 3/41472 620.0 0.890 0.890 1.201 0.000 -0.000 0.000 3/41472 630.0 0.876 0.876 1.182 0.000 -0.000 0.000 3/41472 640.0 0.862 0.862 1.164 0.000 -0.000 0.000 3/41472 650.0 0.849 0.849 1.146 0.000 -0.000 0.000 3/41472 660.0 0.837 0.837 1.129 0.000 -0.000 0.000 3/41472 670.0 0.824 0.824 1.112 0.000 -0.000 0.000 3/41472 680.0 0.812 0.812 1.096 0.000 -0.000 0.000 3/41472 690.0 0.801 0.801 1.080 0.000 -0.000 0.000 3/41472 700.0 0.790 0.790 1.065 0.000 -0.000 0.000 3/41472 710.0 0.779 0.779 1.050 0.000 -0.000 0.000 3/41472 720.0 0.768 0.768 1.035 0.000 -0.000 0.000 3/41472 730.0 0.758 0.758 1.021 0.000 -0.000 0.000 3/41472 740.0 0.747 0.747 1.008 0.000 -0.000 0.000 3/41472 750.0 0.738 0.738 0.994 0.000 -0.000 0.000 3/41472 760.0 0.728 0.728 0.981 0.000 -0.000 0.000 3/41472 770.0 0.719 0.719 0.969 0.000 -0.000 0.000 3/41472 780.0 0.710 0.710 0.956 0.000 -0.000 0.000 3/41472 790.0 0.701 0.701 0.944 0.000 -0.000 0.000 3/41472 800.0 0.692 0.692 0.932 0.000 -0.000 0.000 3/41472 810.0 0.684 0.684 0.921 0.000 -0.000 0.000 3/41472 820.0 0.675 0.675 0.910 0.000 -0.000 0.000 3/41472 830.0 0.667 0.667 0.899 0.000 -0.000 0.000 3/41472 840.0 0.659 0.659 0.888 0.000 -0.000 0.000 3/41472 850.0 0.652 0.652 0.878 0.000 -0.000 0.000 3/41472 860.0 0.644 0.644 0.868 0.000 -0.000 0.000 3/41472 870.0 0.637 0.637 0.858 0.000 -0.000 0.000 3/41472 880.0 0.630 0.630 0.848 0.000 -0.000 0.000 3/41472 890.0 0.623 0.623 0.839 0.000 -0.000 0.000 3/41472 900.0 0.616 0.616 0.829 0.000 -0.000 0.000 3/41472 910.0 0.609 0.609 0.820 0.000 -0.000 0.000 3/41472 920.0 0.603 0.603 0.811 0.000 -0.000 0.000 3/41472 930.0 0.596 0.596 0.803 0.000 -0.000 0.000 3/41472 940.0 0.590 0.590 0.794 0.000 -0.000 0.000 3/41472 950.0 0.584 0.584 0.786 0.000 -0.000 0.000 3/41472 960.0 0.578 0.578 0.778 0.000 -0.000 0.000 3/41472 970.0 0.572 0.572 0.770 0.000 -0.000 0.000 3/41472 980.0 0.566 0.566 0.762 0.000 -0.000 0.000 3/41472 990.0 0.560 0.560 0.754 0.000 -0.000 0.000 3/41472 1000.0 0.555 0.555 0.747 0.000 -0.000 0.000 3/41472 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:38:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|