----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:41:03]------------------------- Compiled with OpenMP support (max 48 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 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.009842817890575 0.000000000000000 0.000000000000000 b -3.004921408945287 5.204676553044694 0.000000000000000 c 0.000000000000000 0.000000000000000 4.794476010000000 Atomic positions (fractional): *1 F 0.84037996013857 0.15962003986143 0.22940747054321 18.998 2 F 0.31924007972286 0.15962003986143 0.22940747054321 18.998 3 F 0.84037996013857 0.68075992027714 0.22940747054321 18.998 4 F 0.15962003986143 0.84037996013857 0.77059252945679 18.998 5 F 0.68075992027714 0.84037996013857 0.77059252945679 18.998 6 F 0.15962003986143 0.31924007972286 0.77059252945679 18.998 *7 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 *8 Tl 0.66666666666667 0.33333333333333 0.69144910425503 204.383 9 Tl 0.33333333333333 0.66666666666667 0.30855089574497 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.009842817890575 0.000000000000000 0.000000000000000 b -3.004921408945287 5.204676553044694 0.000000000000000 c 0.000000000000000 0.000000000000000 4.794476010000000 Atomic positions (fractional): *1 F 0.84037996013857 0.15962003986143 0.22940747054321 18.998 > 1 2 F 0.31924007972286 0.15962003986143 0.22940747054321 18.998 > 2 3 F 0.84037996013857 0.68075992027714 0.22940747054321 18.998 > 3 4 F 0.15962003986143 0.84037996013857 0.77059252945679 18.998 > 4 5 F 0.68075992027714 0.84037996013857 0.77059252945679 18.998 > 5 6 F 0.15962003986143 0.31924007972286 0.77059252945679 18.998 > 6 *7 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 7 *8 Tl 0.66666666666667 0.33333333333333 0.69144910425503 204.383 > 8 9 Tl 0.33333333333333 0.66666666666667 0.30855089574497 204.383 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.019685635781149 0.000000000000000 0.000000000000000 b -6.009842817890574 10.409353106089387 0.000000000000000 c 0.000000000000000 0.000000000000000 14.383428030000001 Atomic positions (fractional): *1 F 0.42018998006929 0.07981001993071 0.07646915684774 18.998 > 1 2 F 0.92018998006929 0.07981001993071 0.07646915684774 18.998 > 1 3 F 0.42018998006929 0.57981001993071 0.07646915684774 18.998 > 1 4 F 0.92018998006929 0.57981001993071 0.07646915684774 18.998 > 1 5 F 0.42018998006929 0.07981001993071 0.40980249018107 18.998 > 1 6 F 0.92018998006929 0.07981001993071 0.40980249018107 18.998 > 1 7 F 0.42018998006929 0.57981001993071 0.40980249018107 18.998 > 1 8 F 0.92018998006929 0.57981001993071 0.40980249018107 18.998 > 1 9 F 0.42018998006929 0.07981001993071 0.74313582351440 18.998 > 1 10 F 0.92018998006929 0.07981001993071 0.74313582351440 18.998 > 1 11 F 0.42018998006929 0.57981001993071 0.74313582351440 18.998 > 1 12 F 0.92018998006929 0.57981001993071 0.74313582351440 18.998 > 1 13 F 0.15962003986143 0.07981001993071 0.07646915684774 18.998 > 2 14 F 0.65962003986143 0.07981001993071 0.07646915684774 18.998 > 2 15 F 0.15962003986143 0.57981001993071 0.07646915684774 18.998 > 2 16 F 0.65962003986143 0.57981001993071 0.07646915684774 18.998 > 2 17 F 0.15962003986143 0.07981001993071 0.40980249018107 18.998 > 2 18 F 0.65962003986143 0.07981001993071 0.40980249018107 18.998 > 2 19 F 0.15962003986143 0.57981001993071 0.40980249018107 18.998 > 2 20 F 0.65962003986143 0.57981001993071 0.40980249018107 18.998 > 2 21 F 0.15962003986143 0.07981001993071 0.74313582351440 18.998 > 2 22 F 0.65962003986143 0.07981001993071 0.74313582351440 18.998 > 2 23 F 0.15962003986143 0.57981001993071 0.74313582351440 18.998 > 2 24 F 0.65962003986143 0.57981001993071 0.74313582351440 18.998 > 2 25 F 0.42018998006929 0.34037996013857 0.07646915684774 18.998 > 3 26 F 0.92018998006929 0.34037996013857 0.07646915684774 18.998 > 3 27 F 0.42018998006929 0.84037996013857 0.07646915684774 18.998 > 3 28 F 0.92018998006929 0.84037996013857 0.07646915684774 18.998 > 3 29 F 0.42018998006929 0.34037996013857 0.40980249018107 18.998 > 3 30 F 0.92018998006929 0.34037996013857 0.40980249018107 18.998 > 3 31 F 0.42018998006929 0.84037996013857 0.40980249018107 18.998 > 3 32 F 0.92018998006929 0.84037996013857 0.40980249018107 18.998 > 3 33 F 0.42018998006929 0.34037996013857 0.74313582351440 18.998 > 3 34 F 0.92018998006929 0.34037996013857 0.74313582351440 18.998 > 3 35 F 0.42018998006929 0.84037996013857 0.74313582351440 18.998 > 3 36 F 0.92018998006929 0.84037996013857 0.74313582351440 18.998 > 3 37 F 0.07981001993071 0.42018998006929 0.25686417648560 18.998 > 4 38 F 0.57981001993071 0.42018998006929 0.25686417648560 18.998 > 4 39 F 0.07981001993071 0.92018998006929 0.25686417648560 18.998 > 4 40 F 0.57981001993071 0.92018998006929 0.25686417648560 18.998 > 4 41 F 0.07981001993071 0.42018998006929 0.59019750981893 18.998 > 4 42 F 0.57981001993071 0.42018998006929 0.59019750981893 18.998 > 4 43 F 0.07981001993071 0.92018998006929 0.59019750981893 18.998 > 4 44 F 0.57981001993071 0.92018998006929 0.59019750981893 18.998 > 4 45 F 0.07981001993071 0.42018998006929 0.92353084315226 18.998 > 4 46 F 0.57981001993071 0.42018998006929 0.92353084315226 18.998 > 4 47 F 0.07981001993071 0.92018998006929 0.92353084315226 18.998 > 4 48 F 0.57981001993071 0.92018998006929 0.92353084315226 18.998 > 4 49 F 0.34037996013857 0.42018998006929 0.25686417648560 18.998 > 5 50 F 0.84037996013857 0.42018998006929 0.25686417648560 18.998 > 5 51 F 0.34037996013857 0.92018998006929 0.25686417648560 18.998 > 5 52 F 0.84037996013857 0.92018998006929 0.25686417648560 18.998 > 5 53 F 0.34037996013857 0.42018998006929 0.59019750981893 18.998 > 5 54 F 0.84037996013857 0.42018998006929 0.59019750981893 18.998 > 5 55 F 0.34037996013857 0.92018998006929 0.59019750981893 18.998 > 5 56 F 0.84037996013857 0.92018998006929 0.59019750981893 18.998 > 5 57 F 0.34037996013857 0.42018998006929 0.92353084315226 18.998 > 5 58 F 0.84037996013857 0.42018998006929 0.92353084315226 18.998 > 5 59 F 0.34037996013857 0.92018998006929 0.92353084315226 18.998 > 5 60 F 0.84037996013857 0.92018998006929 0.92353084315226 18.998 > 5 61 F 0.07981001993071 0.15962003986143 0.25686417648560 18.998 > 6 62 F 0.57981001993071 0.15962003986143 0.25686417648560 18.998 > 6 63 F 0.07981001993071 0.65962003986143 0.25686417648560 18.998 > 6 64 F 0.57981001993071 0.65962003986143 0.25686417648560 18.998 > 6 65 F 0.07981001993071 0.15962003986143 0.59019750981893 18.998 > 6 66 F 0.57981001993071 0.15962003986143 0.59019750981893 18.998 > 6 67 F 0.07981001993071 0.65962003986143 0.59019750981893 18.998 > 6 68 F 0.57981001993071 0.65962003986143 0.59019750981893 18.998 > 6 69 F 0.07981001993071 0.15962003986143 0.92353084315226 18.998 > 6 70 F 0.57981001993071 0.15962003986143 0.92353084315226 18.998 > 6 71 F 0.07981001993071 0.65962003986143 0.92353084315226 18.998 > 6 72 F 0.57981001993071 0.65962003986143 0.92353084315226 18.998 > 6 *73 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 7 74 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 7 75 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 7 76 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 7 77 Sn 0.00000000000000 0.00000000000000 0.33333333333333 118.710 > 7 78 Sn 0.50000000000000 0.00000000000000 0.33333333333333 118.710 > 7 79 Sn 0.00000000000000 0.50000000000000 0.33333333333333 118.710 > 7 80 Sn 0.50000000000000 0.50000000000000 0.33333333333333 118.710 > 7 81 Sn 0.00000000000000 0.00000000000000 0.66666666666667 118.710 > 7 82 Sn 0.50000000000000 0.00000000000000 0.66666666666667 118.710 > 7 83 Sn 0.00000000000000 0.50000000000000 0.66666666666667 118.710 > 7 84 Sn 0.50000000000000 0.50000000000000 0.66666666666667 118.710 > 7 *85 Tl 0.33333333333333 0.16666666666667 0.23048303475168 204.383 > 8 86 Tl 0.83333333333333 0.16666666666667 0.23048303475168 204.383 > 8 87 Tl 0.33333333333333 0.66666666666667 0.23048303475168 204.383 > 8 88 Tl 0.83333333333333 0.66666666666667 0.23048303475168 204.383 > 8 89 Tl 0.33333333333333 0.16666666666667 0.56381636808501 204.383 > 8 90 Tl 0.83333333333333 0.16666666666667 0.56381636808501 204.383 > 8 91 Tl 0.33333333333333 0.66666666666667 0.56381636808501 204.383 > 8 92 Tl 0.83333333333333 0.66666666666667 0.56381636808501 204.383 > 8 93 Tl 0.33333333333333 0.16666666666667 0.89714970141834 204.383 > 8 94 Tl 0.83333333333333 0.16666666666667 0.89714970141834 204.383 > 8 95 Tl 0.33333333333333 0.66666666666667 0.89714970141834 204.383 > 8 96 Tl 0.83333333333333 0.66666666666667 0.89714970141834 204.383 > 8 97 Tl 0.16666666666667 0.33333333333333 0.10285029858166 204.383 > 9 98 Tl 0.66666666666667 0.33333333333333 0.10285029858166 204.383 > 9 99 Tl 0.16666666666667 0.83333333333333 0.10285029858166 204.383 > 9 100 Tl 0.66666666666667 0.83333333333333 0.10285029858166 204.383 > 9 101 Tl 0.16666666666667 0.33333333333333 0.43618363191499 204.383 > 9 102 Tl 0.66666666666667 0.33333333333333 0.43618363191499 204.383 > 9 103 Tl 0.16666666666667 0.83333333333333 0.43618363191499 204.383 > 9 104 Tl 0.66666666666667 0.83333333333333 0.43618363191499 204.383 > 9 105 Tl 0.16666666666667 0.33333333333333 0.76951696524832 204.383 > 9 106 Tl 0.66666666666667 0.33333333333333 0.76951696524832 204.383 > 9 107 Tl 0.16666666666667 0.83333333333333 0.76951696524832 204.383 > 9 108 Tl 0.66666666666667 0.83333333333333 0.76951696524832 204.383 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1303936 -0.0000000 0.0000000 0.0000000 3.1303936 0.0000000 0.0000000 0.0000000 2.9950008 -------------------------- Born effective charges -------------------------- 1 F -1.2771627 0.0237918 0.2944404 0.0237918 -1.2496902 -0.1699952 0.3019571 -0.1743350 -1.1823302 2 F -1.2771627 -0.0237918 -0.2944404 -0.0237918 -1.2496902 -0.1699952 -0.3019571 -0.1743350 -1.1823302 3 F -1.2359540 0.0000000 0.0000000 -0.0000000 -1.2908989 0.3399904 0.0000000 0.3486700 -1.1823302 4 F -1.2771627 0.0237918 0.2944404 0.0237918 -1.2496902 -0.1699952 0.3019571 -0.1743350 -1.1823302 5 F -1.2771627 -0.0237918 -0.2944404 -0.0237918 -1.2496902 -0.1699952 -0.3019571 -0.1743350 -1.1823302 6 F -1.2359540 0.0000000 0.0000000 -0.0000000 -1.2908989 0.3399904 0.0000000 0.3486700 -1.1823302 7 Sn 4.0124596 -0.0000000 -0.0000000 0.0000000 4.0124596 0.0000000 -0.0000000 0.0000000 3.5788929 8 Tl 1.7840497 -0.0000000 -0.0000000 -0.0000000 1.7840497 0.0000000 -0.0000000 0.0000000 1.7575441 9 Tl 1.7840497 -0.0000000 -0.0000000 -0.0000000 1.7840497 0.0000000 -0.0000000 0.0000000 1.7575441 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 280 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: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 0.230 Solver_block: 160 / 160 - Time: 0.156 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.398 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 280 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: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:41:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:41:10]------------------------- Compiled with OpenMP support (max 48 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 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.009842817890575 0.000000000000000 0.000000000000000 b -3.004921408945287 5.204676553044694 0.000000000000000 c 0.000000000000000 0.000000000000000 4.794476010000000 Atomic positions (fractional): 1 F 0.84037996013857 0.15962003986143 0.22940747054321 18.998 2 F 0.31924007972286 0.15962003986143 0.22940747054321 18.998 3 F 0.84037996013857 0.68075992027714 0.22940747054321 18.998 4 F 0.15962003986143 0.84037996013857 0.77059252945679 18.998 5 F 0.68075992027714 0.84037996013857 0.77059252945679 18.998 6 F 0.15962003986143 0.31924007972286 0.77059252945679 18.998 7 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 8 Tl 0.66666666666667 0.33333333333333 0.69144910425503 204.383 9 Tl 0.33333333333333 0.66666666666667 0.30855089574497 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.019685635781149 0.000000000000000 0.000000000000000 b -6.009842817890574 10.409353106089387 0.000000000000000 c 0.000000000000000 0.000000000000000 14.383428030000001 Atomic positions (fractional): 1 F 0.42018998006929 0.07981001993071 0.07646915684774 18.998 > 1 2 F 0.92018998006929 0.07981001993071 0.07646915684774 18.998 > 1 3 F 0.42018998006929 0.57981001993071 0.07646915684774 18.998 > 1 4 F 0.92018998006929 0.57981001993071 0.07646915684774 18.998 > 1 5 F 0.42018998006929 0.07981001993071 0.40980249018107 18.998 > 1 6 F 0.92018998006929 0.07981001993071 0.40980249018107 18.998 > 1 7 F 0.42018998006929 0.57981001993071 0.40980249018107 18.998 > 1 8 F 0.92018998006929 0.57981001993071 0.40980249018107 18.998 > 1 9 F 0.42018998006929 0.07981001993071 0.74313582351440 18.998 > 1 10 F 0.92018998006929 0.07981001993071 0.74313582351440 18.998 > 1 11 F 0.42018998006929 0.57981001993071 0.74313582351440 18.998 > 1 12 F 0.92018998006929 0.57981001993071 0.74313582351440 18.998 > 1 13 F 0.15962003986143 0.07981001993071 0.07646915684774 18.998 > 13 14 F 0.65962003986143 0.07981001993071 0.07646915684774 18.998 > 13 15 F 0.15962003986143 0.57981001993071 0.07646915684774 18.998 > 13 16 F 0.65962003986143 0.57981001993071 0.07646915684774 18.998 > 13 17 F 0.15962003986143 0.07981001993071 0.40980249018107 18.998 > 13 18 F 0.65962003986143 0.07981001993071 0.40980249018107 18.998 > 13 19 F 0.15962003986143 0.57981001993071 0.40980249018107 18.998 > 13 20 F 0.65962003986143 0.57981001993071 0.40980249018107 18.998 > 13 21 F 0.15962003986143 0.07981001993071 0.74313582351440 18.998 > 13 22 F 0.65962003986143 0.07981001993071 0.74313582351440 18.998 > 13 23 F 0.15962003986143 0.57981001993071 0.74313582351440 18.998 > 13 24 F 0.65962003986143 0.57981001993071 0.74313582351440 18.998 > 13 25 F 0.42018998006929 0.34037996013857 0.07646915684774 18.998 > 25 26 F 0.92018998006929 0.34037996013857 0.07646915684774 18.998 > 25 27 F 0.42018998006929 0.84037996013857 0.07646915684774 18.998 > 25 28 F 0.92018998006929 0.84037996013857 0.07646915684774 18.998 > 25 29 F 0.42018998006929 0.34037996013857 0.40980249018107 18.998 > 25 30 F 0.92018998006929 0.34037996013857 0.40980249018107 18.998 > 25 31 F 0.42018998006929 0.84037996013857 0.40980249018107 18.998 > 25 32 F 0.92018998006929 0.84037996013857 0.40980249018107 18.998 > 25 33 F 0.42018998006929 0.34037996013857 0.74313582351440 18.998 > 25 34 F 0.92018998006929 0.34037996013857 0.74313582351440 18.998 > 25 35 F 0.42018998006929 0.84037996013857 0.74313582351440 18.998 > 25 36 F 0.92018998006929 0.84037996013857 0.74313582351440 18.998 > 25 37 F 0.07981001993071 0.42018998006929 0.25686417648560 18.998 > 37 38 F 0.57981001993071 0.42018998006929 0.25686417648560 18.998 > 37 39 F 0.07981001993071 0.92018998006929 0.25686417648560 18.998 > 37 40 F 0.57981001993071 0.92018998006929 0.25686417648560 18.998 > 37 41 F 0.07981001993071 0.42018998006929 0.59019750981893 18.998 > 37 42 F 0.57981001993071 0.42018998006929 0.59019750981893 18.998 > 37 43 F 0.07981001993071 0.92018998006929 0.59019750981893 18.998 > 37 44 F 0.57981001993071 0.92018998006929 0.59019750981893 18.998 > 37 45 F 0.07981001993071 0.42018998006929 0.92353084315226 18.998 > 37 46 F 0.57981001993071 0.42018998006929 0.92353084315226 18.998 > 37 47 F 0.07981001993071 0.92018998006929 0.92353084315226 18.998 > 37 48 F 0.57981001993071 0.92018998006929 0.92353084315226 18.998 > 37 49 F 0.34037996013857 0.42018998006929 0.25686417648560 18.998 > 49 50 F 0.84037996013857 0.42018998006929 0.25686417648560 18.998 > 49 51 F 0.34037996013857 0.92018998006929 0.25686417648560 18.998 > 49 52 F 0.84037996013857 0.92018998006929 0.25686417648560 18.998 > 49 53 F 0.34037996013857 0.42018998006929 0.59019750981893 18.998 > 49 54 F 0.84037996013857 0.42018998006929 0.59019750981893 18.998 > 49 55 F 0.34037996013857 0.92018998006929 0.59019750981893 18.998 > 49 56 F 0.84037996013857 0.92018998006929 0.59019750981893 18.998 > 49 57 F 0.34037996013857 0.42018998006929 0.92353084315226 18.998 > 49 58 F 0.84037996013857 0.42018998006929 0.92353084315226 18.998 > 49 59 F 0.34037996013857 0.92018998006929 0.92353084315226 18.998 > 49 60 F 0.84037996013857 0.92018998006929 0.92353084315226 18.998 > 49 61 F 0.07981001993071 0.15962003986143 0.25686417648560 18.998 > 61 62 F 0.57981001993071 0.15962003986143 0.25686417648560 18.998 > 61 63 F 0.07981001993071 0.65962003986143 0.25686417648560 18.998 > 61 64 F 0.57981001993071 0.65962003986143 0.25686417648560 18.998 > 61 65 F 0.07981001993071 0.15962003986143 0.59019750981893 18.998 > 61 66 F 0.57981001993071 0.15962003986143 0.59019750981893 18.998 > 61 67 F 0.07981001993071 0.65962003986143 0.59019750981893 18.998 > 61 68 F 0.57981001993071 0.65962003986143 0.59019750981893 18.998 > 61 69 F 0.07981001993071 0.15962003986143 0.92353084315226 18.998 > 61 70 F 0.57981001993071 0.15962003986143 0.92353084315226 18.998 > 61 71 F 0.07981001993071 0.65962003986143 0.92353084315226 18.998 > 61 72 F 0.57981001993071 0.65962003986143 0.92353084315226 18.998 > 61 73 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 73 74 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 73 75 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 73 76 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 73 77 Sn 0.00000000000000 0.00000000000000 0.33333333333333 118.710 > 73 78 Sn 0.50000000000000 0.00000000000000 0.33333333333333 118.710 > 73 79 Sn 0.00000000000000 0.50000000000000 0.33333333333333 118.710 > 73 80 Sn 0.50000000000000 0.50000000000000 0.33333333333333 118.710 > 73 81 Sn 0.00000000000000 0.00000000000000 0.66666666666667 118.710 > 73 82 Sn 0.50000000000000 0.00000000000000 0.66666666666667 118.710 > 73 83 Sn 0.00000000000000 0.50000000000000 0.66666666666667 118.710 > 73 84 Sn 0.50000000000000 0.50000000000000 0.66666666666667 118.710 > 73 85 Tl 0.33333333333333 0.16666666666667 0.23048303475168 204.383 > 85 86 Tl 0.83333333333333 0.16666666666667 0.23048303475168 204.383 > 85 87 Tl 0.33333333333333 0.66666666666667 0.23048303475168 204.383 > 85 88 Tl 0.83333333333333 0.66666666666667 0.23048303475168 204.383 > 85 89 Tl 0.33333333333333 0.16666666666667 0.56381636808501 204.383 > 85 90 Tl 0.83333333333333 0.16666666666667 0.56381636808501 204.383 > 85 91 Tl 0.33333333333333 0.66666666666667 0.56381636808501 204.383 > 85 92 Tl 0.83333333333333 0.66666666666667 0.56381636808501 204.383 > 85 93 Tl 0.33333333333333 0.16666666666667 0.89714970141834 204.383 > 85 94 Tl 0.83333333333333 0.16666666666667 0.89714970141834 204.383 > 85 95 Tl 0.33333333333333 0.66666666666667 0.89714970141834 204.383 > 85 96 Tl 0.83333333333333 0.66666666666667 0.89714970141834 204.383 > 85 97 Tl 0.16666666666667 0.33333333333333 0.10285029858166 204.383 > 97 98 Tl 0.66666666666667 0.33333333333333 0.10285029858166 204.383 > 97 99 Tl 0.16666666666667 0.83333333333333 0.10285029858166 204.383 > 97 100 Tl 0.66666666666667 0.83333333333333 0.10285029858166 204.383 > 97 101 Tl 0.16666666666667 0.33333333333333 0.43618363191499 204.383 > 97 102 Tl 0.66666666666667 0.33333333333333 0.43618363191499 204.383 > 97 103 Tl 0.16666666666667 0.83333333333333 0.43618363191499 204.383 > 97 104 Tl 0.66666666666667 0.83333333333333 0.43618363191499 204.383 > 97 105 Tl 0.16666666666667 0.33333333333333 0.76951696524832 204.383 > 97 106 Tl 0.66666666666667 0.33333333333333 0.76951696524832 204.383 > 97 107 Tl 0.16666666666667 0.83333333333333 0.76951696524832 204.383 > 97 108 Tl 0.66666666666667 0.83333333333333 0.76951696524832 204.383 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1303936 -0.0000000 0.0000000 0.0000000 3.1303936 0.0000000 0.0000000 0.0000000 2.9950008 -------------------------- Born effective charges -------------------------- 1 F -1.2771627 0.0237918 0.2944404 0.0237918 -1.2496902 -0.1699952 0.3019571 -0.1743350 -1.1823302 2 F -1.2771627 -0.0237918 -0.2944404 -0.0237918 -1.2496902 -0.1699952 -0.3019571 -0.1743350 -1.1823302 3 F -1.2359540 0.0000000 0.0000000 -0.0000000 -1.2908989 0.3399904 0.0000000 0.3486700 -1.1823302 4 F -1.2771627 0.0237918 0.2944404 0.0237918 -1.2496902 -0.1699952 0.3019571 -0.1743350 -1.1823302 5 F -1.2771627 -0.0237918 -0.2944404 -0.0237918 -1.2496902 -0.1699952 -0.3019571 -0.1743350 -1.1823302 6 F -1.2359540 0.0000000 0.0000000 -0.0000000 -1.2908989 0.3399904 0.0000000 0.3486700 -1.1823302 7 Sn 4.0124596 -0.0000000 -0.0000000 0.0000000 4.0124596 0.0000000 -0.0000000 0.0000000 3.5788929 8 Tl 1.7840497 -0.0000000 -0.0000000 -0.0000000 1.7840497 0.0000000 -0.0000000 0.0000000 1.7575441 9 Tl 1.7840497 -0.0000000 -0.0000000 -0.0000000 1.7840497 0.0000000 -0.0000000 0.0000000 1.7575441 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000001 (xxy) 0.00000001 (xxy) 0.00000001 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:41:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:41:15]------------------------- Compiled with OpenMP support (max 48 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 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.009842817890575 0.000000000000000 0.000000000000000 b -3.004921408945287 5.204676553044694 0.000000000000000 c 0.000000000000000 0.000000000000000 4.794476010000000 Atomic positions (fractional): 1 F 0.84037996013857 0.15962003986143 0.22940747054321 18.998 2 F 0.31924007972286 0.15962003986143 0.22940747054321 18.998 3 F 0.84037996013857 0.68075992027714 0.22940747054321 18.998 4 F 0.15962003986143 0.84037996013857 0.77059252945679 18.998 5 F 0.68075992027714 0.84037996013857 0.77059252945679 18.998 6 F 0.15962003986143 0.31924007972286 0.77059252945679 18.998 7 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 8 Tl 0.66666666666667 0.33333333333333 0.69144910425503 204.383 9 Tl 0.33333333333333 0.66666666666667 0.30855089574497 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.019685635781149 0.000000000000000 0.000000000000000 b -6.009842817890574 10.409353106089387 0.000000000000000 c 0.000000000000000 0.000000000000000 14.383428030000001 Atomic positions (fractional): 1 F 0.42018998006929 0.07981001993071 0.07646915684774 18.998 > 1 2 F 0.92018998006929 0.07981001993071 0.07646915684774 18.998 > 1 3 F 0.42018998006929 0.57981001993071 0.07646915684774 18.998 > 1 4 F 0.92018998006929 0.57981001993071 0.07646915684774 18.998 > 1 5 F 0.42018998006929 0.07981001993071 0.40980249018107 18.998 > 1 6 F 0.92018998006929 0.07981001993071 0.40980249018107 18.998 > 1 7 F 0.42018998006929 0.57981001993071 0.40980249018107 18.998 > 1 8 F 0.92018998006929 0.57981001993071 0.40980249018107 18.998 > 1 9 F 0.42018998006929 0.07981001993071 0.74313582351440 18.998 > 1 10 F 0.92018998006929 0.07981001993071 0.74313582351440 18.998 > 1 11 F 0.42018998006929 0.57981001993071 0.74313582351440 18.998 > 1 12 F 0.92018998006929 0.57981001993071 0.74313582351440 18.998 > 1 13 F 0.15962003986143 0.07981001993071 0.07646915684774 18.998 > 13 14 F 0.65962003986143 0.07981001993071 0.07646915684774 18.998 > 13 15 F 0.15962003986143 0.57981001993071 0.07646915684774 18.998 > 13 16 F 0.65962003986143 0.57981001993071 0.07646915684774 18.998 > 13 17 F 0.15962003986143 0.07981001993071 0.40980249018107 18.998 > 13 18 F 0.65962003986143 0.07981001993071 0.40980249018107 18.998 > 13 19 F 0.15962003986143 0.57981001993071 0.40980249018107 18.998 > 13 20 F 0.65962003986143 0.57981001993071 0.40980249018107 18.998 > 13 21 F 0.15962003986143 0.07981001993071 0.74313582351440 18.998 > 13 22 F 0.65962003986143 0.07981001993071 0.74313582351440 18.998 > 13 23 F 0.15962003986143 0.57981001993071 0.74313582351440 18.998 > 13 24 F 0.65962003986143 0.57981001993071 0.74313582351440 18.998 > 13 25 F 0.42018998006929 0.34037996013857 0.07646915684774 18.998 > 25 26 F 0.92018998006929 0.34037996013857 0.07646915684774 18.998 > 25 27 F 0.42018998006929 0.84037996013857 0.07646915684774 18.998 > 25 28 F 0.92018998006929 0.84037996013857 0.07646915684774 18.998 > 25 29 F 0.42018998006929 0.34037996013857 0.40980249018107 18.998 > 25 30 F 0.92018998006929 0.34037996013857 0.40980249018107 18.998 > 25 31 F 0.42018998006929 0.84037996013857 0.40980249018107 18.998 > 25 32 F 0.92018998006929 0.84037996013857 0.40980249018107 18.998 > 25 33 F 0.42018998006929 0.34037996013857 0.74313582351440 18.998 > 25 34 F 0.92018998006929 0.34037996013857 0.74313582351440 18.998 > 25 35 F 0.42018998006929 0.84037996013857 0.74313582351440 18.998 > 25 36 F 0.92018998006929 0.84037996013857 0.74313582351440 18.998 > 25 37 F 0.07981001993071 0.42018998006929 0.25686417648560 18.998 > 37 38 F 0.57981001993071 0.42018998006929 0.25686417648560 18.998 > 37 39 F 0.07981001993071 0.92018998006929 0.25686417648560 18.998 > 37 40 F 0.57981001993071 0.92018998006929 0.25686417648560 18.998 > 37 41 F 0.07981001993071 0.42018998006929 0.59019750981893 18.998 > 37 42 F 0.57981001993071 0.42018998006929 0.59019750981893 18.998 > 37 43 F 0.07981001993071 0.92018998006929 0.59019750981893 18.998 > 37 44 F 0.57981001993071 0.92018998006929 0.59019750981893 18.998 > 37 45 F 0.07981001993071 0.42018998006929 0.92353084315226 18.998 > 37 46 F 0.57981001993071 0.42018998006929 0.92353084315226 18.998 > 37 47 F 0.07981001993071 0.92018998006929 0.92353084315226 18.998 > 37 48 F 0.57981001993071 0.92018998006929 0.92353084315226 18.998 > 37 49 F 0.34037996013857 0.42018998006929 0.25686417648560 18.998 > 49 50 F 0.84037996013857 0.42018998006929 0.25686417648560 18.998 > 49 51 F 0.34037996013857 0.92018998006929 0.25686417648560 18.998 > 49 52 F 0.84037996013857 0.92018998006929 0.25686417648560 18.998 > 49 53 F 0.34037996013857 0.42018998006929 0.59019750981893 18.998 > 49 54 F 0.84037996013857 0.42018998006929 0.59019750981893 18.998 > 49 55 F 0.34037996013857 0.92018998006929 0.59019750981893 18.998 > 49 56 F 0.84037996013857 0.92018998006929 0.59019750981893 18.998 > 49 57 F 0.34037996013857 0.42018998006929 0.92353084315226 18.998 > 49 58 F 0.84037996013857 0.42018998006929 0.92353084315226 18.998 > 49 59 F 0.34037996013857 0.92018998006929 0.92353084315226 18.998 > 49 60 F 0.84037996013857 0.92018998006929 0.92353084315226 18.998 > 49 61 F 0.07981001993071 0.15962003986143 0.25686417648560 18.998 > 61 62 F 0.57981001993071 0.15962003986143 0.25686417648560 18.998 > 61 63 F 0.07981001993071 0.65962003986143 0.25686417648560 18.998 > 61 64 F 0.57981001993071 0.65962003986143 0.25686417648560 18.998 > 61 65 F 0.07981001993071 0.15962003986143 0.59019750981893 18.998 > 61 66 F 0.57981001993071 0.15962003986143 0.59019750981893 18.998 > 61 67 F 0.07981001993071 0.65962003986143 0.59019750981893 18.998 > 61 68 F 0.57981001993071 0.65962003986143 0.59019750981893 18.998 > 61 69 F 0.07981001993071 0.15962003986143 0.92353084315226 18.998 > 61 70 F 0.57981001993071 0.15962003986143 0.92353084315226 18.998 > 61 71 F 0.07981001993071 0.65962003986143 0.92353084315226 18.998 > 61 72 F 0.57981001993071 0.65962003986143 0.92353084315226 18.998 > 61 73 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 73 74 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 73 75 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 73 76 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 73 77 Sn 0.00000000000000 0.00000000000000 0.33333333333333 118.710 > 73 78 Sn 0.50000000000000 0.00000000000000 0.33333333333333 118.710 > 73 79 Sn 0.00000000000000 0.50000000000000 0.33333333333333 118.710 > 73 80 Sn 0.50000000000000 0.50000000000000 0.33333333333333 118.710 > 73 81 Sn 0.00000000000000 0.00000000000000 0.66666666666667 118.710 > 73 82 Sn 0.50000000000000 0.00000000000000 0.66666666666667 118.710 > 73 83 Sn 0.00000000000000 0.50000000000000 0.66666666666667 118.710 > 73 84 Sn 0.50000000000000 0.50000000000000 0.66666666666667 118.710 > 73 85 Tl 0.33333333333333 0.16666666666667 0.23048303475168 204.383 > 85 86 Tl 0.83333333333333 0.16666666666667 0.23048303475168 204.383 > 85 87 Tl 0.33333333333333 0.66666666666667 0.23048303475168 204.383 > 85 88 Tl 0.83333333333333 0.66666666666667 0.23048303475168 204.383 > 85 89 Tl 0.33333333333333 0.16666666666667 0.56381636808501 204.383 > 85 90 Tl 0.83333333333333 0.16666666666667 0.56381636808501 204.383 > 85 91 Tl 0.33333333333333 0.66666666666667 0.56381636808501 204.383 > 85 92 Tl 0.83333333333333 0.66666666666667 0.56381636808501 204.383 > 85 93 Tl 0.33333333333333 0.16666666666667 0.89714970141834 204.383 > 85 94 Tl 0.83333333333333 0.16666666666667 0.89714970141834 204.383 > 85 95 Tl 0.33333333333333 0.66666666666667 0.89714970141834 204.383 > 85 96 Tl 0.83333333333333 0.66666666666667 0.89714970141834 204.383 > 85 97 Tl 0.16666666666667 0.33333333333333 0.10285029858166 204.383 > 97 98 Tl 0.66666666666667 0.33333333333333 0.10285029858166 204.383 > 97 99 Tl 0.16666666666667 0.83333333333333 0.10285029858166 204.383 > 97 100 Tl 0.66666666666667 0.83333333333333 0.10285029858166 204.383 > 97 101 Tl 0.16666666666667 0.33333333333333 0.43618363191499 204.383 > 97 102 Tl 0.66666666666667 0.33333333333333 0.43618363191499 204.383 > 97 103 Tl 0.16666666666667 0.83333333333333 0.43618363191499 204.383 > 97 104 Tl 0.66666666666667 0.83333333333333 0.43618363191499 204.383 > 97 105 Tl 0.16666666666667 0.33333333333333 0.76951696524832 204.383 > 97 106 Tl 0.66666666666667 0.33333333333333 0.76951696524832 204.383 > 97 107 Tl 0.16666666666667 0.83333333333333 0.76951696524832 204.383 > 97 108 Tl 0.66666666666667 0.83333333333333 0.76951696524832 204.383 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1303936 -0.0000000 0.0000000 0.0000000 3.1303936 0.0000000 0.0000000 0.0000000 2.9950008 -------------------------- Born effective charges -------------------------- 1 F -1.2771627 0.0237918 0.2944404 0.0237918 -1.2496902 -0.1699952 0.3019571 -0.1743350 -1.1823302 2 F -1.2771627 -0.0237918 -0.2944404 -0.0237918 -1.2496902 -0.1699952 -0.3019571 -0.1743350 -1.1823302 3 F -1.2359540 0.0000000 0.0000000 -0.0000000 -1.2908989 0.3399904 0.0000000 0.3486700 -1.1823302 4 F -1.2771627 0.0237918 0.2944404 0.0237918 -1.2496902 -0.1699952 0.3019571 -0.1743350 -1.1823302 5 F -1.2771627 -0.0237918 -0.2944404 -0.0237918 -1.2496902 -0.1699952 -0.3019571 -0.1743350 -1.1823302 6 F -1.2359540 0.0000000 0.0000000 -0.0000000 -1.2908989 0.3399904 0.0000000 0.3486700 -1.1823302 7 Sn 4.0124596 -0.0000000 -0.0000000 0.0000000 4.0124596 0.0000000 -0.0000000 0.0000000 3.5788929 8 Tl 1.7840497 -0.0000000 -0.0000000 -0.0000000 1.7840497 0.0000000 -0.0000000 0.0000000 1.7575441 9 Tl 1.7840497 -0.0000000 -0.0000000 -0.0000000 1.7840497 0.0000000 -0.0000000 0.0000000 1.7575441 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxy) 0.00000001 (xxy) 0.00000001 (xyx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] 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: 0.78, Number of G-points: 283, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= 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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.939 ( 0.000 0.000 0.000) 0.000 0.997 ( 0.000 0.000 0.000) 0.000 1.179 ( 0.000 0.000 0.000) 0.000 1.350 ( 0.000 0.000 0.000) 0.000 1.350 ( 0.000 0.000 0.000) 0.000 1.402 ( 0.000 0.000 0.000) 0.000 1.402 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 4.547 ( 0.000 0.000 0.000) 0.000 4.547 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.970 ( 0.000 0.000 0.000) 0.000 12.912 ( 0.000 0.000 0.000) 0.000 12.912 ( 0.000 0.000 0.000) 0.000 15.303 ( 0.000 0.000 0.000) 0.000 15.519 ( 0.000 0.000 0.000) 0.000 15.519 ( 0.000 0.000 0.000) 0.000 15.982 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.10 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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.202 ( 9.142 5.278 -0.472) 10.567 0.225 ( 9.889 5.709 1.870) 11.570 0.522 ( 22.864 13.200 -0.377) 26.403 0.991 ( -0.530 -0.306 -0.023) 0.613 1.022 ( 6.638 3.832 -0.156) 7.666 1.164 ( -1.260 -0.727 -2.054) 2.517 1.291 ( -2.816 -1.626 -1.796) 3.714 1.348 ( -0.174 -0.101 2.379) 2.387 1.480 ( 4.679 2.701 0.779) 5.459 1.815 ( 2.580 1.489 -0.479) 3.017 1.870 ( 7.161 4.134 0.061) 8.269 3.024 ( -2.223 -1.284 -0.686) 2.658 4.536 ( -1.090 -0.629 -1.020) 1.620 4.643 ( 0.789 0.456 1.754) 1.977 4.734 ( 2.054 1.186 -0.018) 2.372 5.680 ( -2.145 -1.238 0.958) 2.655 6.128 ( -0.428 -0.247 0.733) 0.885 6.210 ( 6.486 3.745 -2.574) 7.920 6.421 ( 0.974 0.562 -0.073) 1.127 6.968 ( -0.085 -0.049 0.028) 0.102 7.866 ( -1.262 -0.729 0.761) 1.644 12.916 ( 0.382 0.220 -0.198) 0.483 12.965 ( 4.657 2.689 1.548) 5.596 15.281 ( -2.037 -1.176 1.053) 2.577 15.513 ( -0.521 -0.301 0.260) 0.655 15.980 ( -0.218 -0.126 -0.010) 0.251 16.620 ( -1.079 -0.623 -2.246) 2.568 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.20 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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 8.689 5.017 0.534) 10.048 0.433 ( 8.734 5.042 1.572) 10.207 0.928 ( 3.793 2.190 -0.649) 4.428 1.031 ( 11.607 6.702 0.982) 13.439 1.134 ( 0.396 0.229 -1.787) 1.845 1.141 ( 0.919 0.531 -1.891) 2.168 1.291 ( 5.143 2.969 -1.222) 6.062 1.352 ( 1.153 0.666 2.015) 2.415 1.588 ( 4.859 2.805 0.364) 5.622 1.894 ( 4.388 2.533 -0.288) 5.075 2.072 ( 10.274 5.932 -0.255) 11.866 2.951 ( -4.322 -2.495 -0.876) 5.067 4.498 ( -2.213 -1.278 -1.590) 3.009 4.669 ( 1.553 0.897 2.778) 3.306 4.801 ( 3.762 2.172 -0.133) 4.346 5.626 ( -2.519 -1.454 1.060) 3.095 6.116 ( -0.602 -0.348 1.054) 1.263 6.395 ( 9.652 5.572 -4.125) 11.883 6.448 ( 1.401 0.809 -0.002) 1.618 6.966 ( -0.079 -0.046 0.218) 0.237 7.824 ( -2.547 -1.470 1.475) 3.290 12.928 ( 0.598 0.345 -0.311) 0.757 13.110 ( 8.143 4.701 2.682) 9.777 15.215 ( -3.832 -2.212 1.645) 4.720 15.497 ( -0.840 -0.485 0.415) 1.055 15.973 ( -0.338 -0.195 -0.059) 0.395 16.587 ( -1.810 -1.045 -3.684) 4.236 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.30 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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 7.418 4.283 1.727) 8.738 0.606 ( 6.749 3.897 0.754) 7.830 0.895 ( -2.989 -1.726 0.232) 3.459 1.063 ( -1.986 -1.147 -0.033) 2.293 1.101 ( -2.941 -1.698 -3.015) 4.541 1.297 ( 2.585 1.492 1.653) 3.412 1.451 ( 7.167 4.138 -1.174) 8.359 1.521 ( 15.175 8.761 -0.492) 17.530 1.687 ( 3.822 2.207 -0.034) 4.413 2.000 ( 4.910 2.835 0.443) 5.687 2.293 ( 9.047 5.223 -0.846) 10.481 2.836 ( -5.990 -3.458 -0.430) 6.930 4.444 ( -2.471 -1.427 -1.551) 3.248 4.708 ( 1.776 1.025 2.745) 3.426 4.890 ( 3.979 2.297 -0.241) 4.600 5.574 ( -2.091 -1.207 0.766) 2.534 6.103 ( -0.540 -0.312 0.947) 1.134 6.478 ( 1.234 0.712 0.094) 1.428 6.616 ( 9.797 5.656 -4.843) 12.306 6.966 ( 0.054 0.031 0.684) 0.686 7.755 ( -3.568 -2.060 1.953) 4.560 12.941 ( 0.573 0.331 -0.300) 0.727 13.308 ( 9.217 5.322 2.968) 11.049 15.116 ( -4.820 -2.783 1.499) 5.764 15.478 ( -0.837 -0.483 0.409) 1.050 15.966 ( -0.317 -0.183 -0.111) 0.383 16.544 ( -1.891 -1.092 -3.741) 4.332 ======================= Grid point 4 (5/116) ======================= q-point: ( 0.40 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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 5.286 3.052 2.241) 6.503 0.725 ( 3.750 2.165 -1.260) 4.509 0.829 ( -2.458 -1.419 2.355) 3.688 1.024 ( -1.404 -0.810 -0.128) 1.626 1.032 ( -3.023 -1.745 -2.856) 4.511 1.321 ( 0.479 0.277 0.536) 0.770 1.578 ( 4.102 2.368 -0.990) 4.839 1.750 ( 1.820 1.051 -0.158) 2.108 1.840 ( 11.856 6.845 -0.027) 13.690 2.097 ( 3.397 1.961 0.650) 3.976 2.454 ( 5.169 2.984 -1.453) 6.143 2.697 ( -6.038 -3.486 0.505) 6.991 4.397 ( -1.641 -0.947 -0.956) 2.122 4.742 ( 1.161 0.670 1.701) 2.166 4.965 ( 2.534 1.463 -0.195) 2.933 5.537 ( -1.183 -0.683 0.367) 1.415 6.093 ( -0.322 -0.186 0.550) 0.664 6.500 ( 0.694 0.401 0.092) 0.806 6.804 ( 6.494 3.749 -4.201) 8.595 6.970 ( 0.402 0.232 1.223) 1.308 7.675 ( -3.238 -1.870 1.674) 4.097 12.952 ( 0.342 0.197 -0.180) 0.434 13.491 ( 6.560 3.787 2.041) 7.845 15.016 ( -3.801 -2.195 0.785) 4.459 15.462 ( -0.516 -0.298 0.250) 0.646 15.960 ( -0.184 -0.106 -0.095) 0.232 16.509 ( -1.210 -0.699 -2.336) 2.722 ======================= Grid point 5 (6/116) ======================= 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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 0.000 0.000 -0.000) 0.000 0.792 ( 0.000 0.000 0.000) 0.000 0.805 ( 0.000 0.000 -0.000) 0.000 0.989 ( 0.000 0.000 -0.000) 0.000 1.006 ( 0.000 0.000 0.000) 0.000 1.326 ( 0.000 0.000 0.000) 0.000 1.625 ( 0.000 0.000 -0.000) 0.000 1.769 ( 0.000 0.000 0.000) 0.000 1.987 ( 0.000 0.000 -0.000) 0.000 2.136 ( 0.000 0.000 -0.000) 0.000 2.514 ( 0.000 0.000 -0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 -0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 -0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 -0.000) 0.000 6.878 ( 0.000 0.000 -0.000) 0.000 6.979 ( 0.000 0.000 -0.000) 0.000 7.634 ( 0.000 0.000 0.000) 0.000 12.956 ( 0.000 0.000 -0.000) 0.000 13.569 ( 0.000 0.000 0.000) 0.000 14.969 ( 0.000 0.000 0.000) 0.000 15.456 ( 0.000 0.000 -0.000) 0.000 15.958 ( 0.000 0.000 0.000) 0.000 16.495 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 12 (7/116) ======================= q-point: ( 0.10 0.10 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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( 4.648 8.051 0.000) 9.297 0.410 ( 5.932 10.275 0.000) 11.864 0.864 ( 10.009 17.336 0.000) 20.018 0.988 ( 1.169 2.026 0.000) 2.339 1.085 ( -0.874 -1.514 0.000) 1.748 1.185 ( 3.862 6.690 0.000) 7.725 1.300 ( 0.623 1.079 0.000) 1.246 1.322 ( -0.492 -0.852 0.000) 0.984 1.559 ( 2.905 5.032 0.000) 5.811 1.869 ( 2.351 4.072 0.000) 4.702 2.011 ( 5.612 9.721 0.000) 11.225 2.972 ( -2.358 -4.084 0.000) 4.716 4.522 ( -0.592 -1.025 0.000) 1.183 4.640 ( 0.020 0.035 0.000) 0.040 4.789 ( 2.274 3.940 0.000) 4.549 5.640 ( -1.485 -2.573 0.000) 2.971 6.152 ( 0.482 0.835 0.000) 0.964 6.276 ( 2.501 4.333 0.000) 5.003 6.474 ( 2.865 4.963 0.000) 5.731 6.967 ( -0.059 -0.101 0.000) 0.117 7.836 ( -1.390 -2.408 0.000) 2.781 12.944 ( 0.946 1.638 0.000) 1.892 13.042 ( 3.539 6.129 0.000) 7.078 15.233 ( -2.117 -3.667 0.000) 4.234 15.513 ( 0.152 0.263 0.000) 0.303 15.975 ( -0.185 -0.321 0.000) 0.371 16.592 ( -1.290 -2.235 0.000) 2.581 ======================= Grid point 13 (8/116) ======================= q-point: ( 0.20 0.10 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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 6.537 4.455 0.704) 7.942 0.594 ( 4.749 8.813 0.698) 10.035 0.922 ( -1.926 -1.632 -0.174) 2.531 1.034 ( -1.001 -3.267 -0.088) 3.418 1.205 ( -0.108 4.998 -0.771) 5.058 1.267 ( 2.111 6.047 -0.371) 6.415 1.388 ( 9.370 6.511 0.374) 11.416 1.396 ( 6.096 7.355 -0.630) 9.574 1.663 ( 3.477 4.941 0.170) 6.044 1.964 ( 3.754 4.602 0.126) 5.941 2.212 ( 7.507 7.891 -0.355) 10.897 2.870 ( -4.029 -5.855 -0.356) 7.116 4.491 ( -2.747 0.384 -1.227) 3.033 4.660 ( 2.791 -1.026 1.807) 3.479 4.871 ( 2.559 4.318 -0.026) 5.020 5.590 ( -1.703 -2.124 0.474) 2.763 6.146 ( -2.568 2.661 1.012) 3.834 6.367 ( 6.372 -2.422 -1.396) 6.959 6.608 ( 4.307 10.136 -1.575) 11.125 6.965 ( -0.014 -0.070 0.271) 0.280 7.774 ( -2.450 -3.722 1.008) 4.569 12.969 ( -0.805 3.385 -0.422) 3.505 13.197 ( 8.276 4.485 1.857) 9.595 15.147 ( -3.265 -4.491 0.799) 5.609 15.519 ( -1.139 2.683 0.412) 2.944 15.968 ( -0.258 -0.310 -0.059) 0.407 16.539 ( -1.287 -3.907 -2.185) 4.658 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.30 0.10 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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 6.503 1.276 1.090) 6.716 0.720 ( 2.393 3.819 -0.216) 4.513 0.863 ( -2.643 -1.622 1.411) 3.407 1.006 ( -0.309 0.541 0.324) 0.702 1.166 ( -5.908 4.207 -2.373) 7.632 1.309 ( 0.729 0.008 0.730) 1.032 1.556 ( 4.240 6.612 -0.915) 7.908 1.682 ( 10.583 6.989 -1.242) 12.743 1.770 ( 4.372 6.994 0.960) 8.304 2.070 ( 3.429 4.341 0.647) 5.569 2.387 ( 6.189 4.063 -1.015) 7.473 2.732 ( -4.731 -7.225 0.067) 8.636 4.447 ( -3.414 1.703 -1.197) 3.998 4.703 ( 3.171 -1.010 1.861) 3.813 4.948 ( 2.117 3.180 -0.119) 3.822 5.547 ( -1.258 -1.471 0.387) 1.974 6.129 ( -2.445 2.585 0.817) 3.651 6.431 ( 4.777 -3.560 -0.642) 5.992 6.788 ( 4.555 10.149 -3.290) 11.601 6.966 ( 0.222 -0.001 0.938) 0.964 7.688 ( -2.618 -4.970 1.522) 5.820 12.984 ( -1.528 3.918 -0.366) 4.221 13.379 ( 9.092 1.793 2.093) 9.500 15.048 ( -3.416 -3.855 0.729) 5.202 15.526 ( -2.750 5.353 0.557) 6.044 15.962 ( -0.197 -0.225 -0.105) 0.317 16.481 ( 0.054 -5.525 -2.456) 6.047 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.40 0.10 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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 4.854 -3.110 1.005) 5.852 0.755 ( 1.296 0.614 -1.981) 2.446 0.810 ( -1.919 -2.100 1.970) 3.460 1.039 ( -0.213 6.498 1.806) 6.747 1.105 ( -6.613 4.694 -2.505) 8.488 1.315 ( 0.597 -0.814 0.155) 1.021 1.651 ( 0.252 4.854 -0.455) 4.882 1.779 ( 0.098 2.614 -0.455) 2.655 1.965 ( 5.640 5.611 0.404) 7.967 2.144 ( 0.788 2.883 0.447) 3.022 2.486 ( 3.089 0.097 -1.494) 3.433 2.598 ( -2.022 -6.570 0.937) 6.938 4.417 ( -2.705 2.980 -0.473) 4.052 4.735 ( 1.765 -1.163 0.764) 2.248 4.995 ( 0.677 1.441 -0.076) 1.594 5.522 ( -0.340 -0.737 0.133) 0.823 6.117 ( -1.821 2.524 0.302) 3.127 6.460 ( 3.006 -3.697 -0.158) 4.768 6.915 ( -0.013 6.362 -2.468) 6.824 6.978 ( 0.691 1.181 1.188) 1.812 7.610 ( -0.207 -4.893 0.877) 4.975 12.993 ( -2.014 3.936 -0.138) 4.424 13.505 ( 5.652 -2.347 0.918) 6.188 14.976 ( -1.538 -1.684 0.255) 2.295 15.530 ( -3.961 7.105 0.261) 8.139 15.958 ( -0.054 -0.108 -0.056) 0.133 16.443 ( 2.260 -6.113 -1.049) 6.601 ======================= Grid point 23 (11/116) ======================= q-point: ( 0.20 0.20 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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 2.299 3.982 0.000) 4.597 0.718 ( 1.923 3.331 0.000) 3.847 0.877 ( -1.667 -2.887 0.000) 3.334 1.019 ( 1.268 2.197 0.000) 2.536 1.246 ( 0.039 0.067 0.000) 0.078 1.305 ( 0.191 0.330 0.000) 0.381 1.553 ( 4.800 8.313 0.000) 9.600 1.615 ( 7.807 13.523 0.000) 15.615 1.771 ( 3.535 6.122 0.000) 7.069 2.063 ( 3.187 5.519 0.000) 6.373 2.351 ( 3.510 6.079 0.000) 7.020 2.733 ( -4.764 -8.252 0.000) 9.528 4.502 ( 0.260 0.450 0.000) 0.519 4.653 ( 0.360 0.623 0.000) 0.720 4.948 ( 1.993 3.453 0.000) 3.987 5.550 ( -1.081 -1.872 0.000) 2.162 6.186 ( 0.547 0.947 0.000) 1.094 6.345 ( 0.160 0.278 0.000) 0.321 6.805 ( 5.874 10.174 0.000) 11.748 6.964 ( -0.025 -0.043 0.000) 0.049 7.683 ( -3.287 -5.693 0.000) 6.573 13.035 ( 1.797 3.113 0.000) 3.595 13.288 ( 2.885 4.997 0.000) 5.770 15.057 ( -2.622 -4.542 0.000) 5.244 15.589 ( 2.477 4.290 0.000) 4.954 15.962 ( -0.171 -0.296 0.000) 0.342 16.444 ( -3.289 -5.696 0.000) 6.578 ======================= Grid point 24 (12/116) ======================= q-point: ( 0.30 0.20 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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 2.616 -0.917 0.397) 2.800 0.743 ( 0.545 0.284 -0.838) 1.039 0.820 ( -1.830 -2.512 0.896) 3.235 1.095 ( 1.645 6.298 1.088) 6.600 1.231 ( -2.973 2.371 -1.363) 4.039 1.302 ( -0.171 -0.820 0.215) 0.865 1.689 ( 2.268 6.594 -0.292) 6.979 1.819 ( 1.818 8.188 -1.483) 8.518 1.915 ( 7.172 7.018 1.364) 10.126 2.161 ( 1.940 4.904 0.458) 5.293 2.434 ( 2.612 0.615 -0.973) 2.855 2.566 ( -4.173 -9.682 0.471) 10.553 4.503 ( -2.438 3.759 -0.565) 4.516 4.679 ( 2.685 -1.384 0.731) 3.108 4.999 ( 0.933 1.974 -0.035) 2.184 5.521 ( -0.599 -1.127 0.082) 1.279 6.187 ( -2.311 3.161 0.434) 3.940 6.365 ( 3.239 -3.155 -0.412) 4.540 6.961 ( -0.096 1.250 -1.796) 2.190 6.990 ( 3.686 9.053 0.980) 9.823 7.566 ( -2.471 -7.625 0.637) 8.040 13.080 ( -1.568 5.721 -0.276) 5.939 13.377 ( 5.382 -1.804 0.744) 5.724 14.983 ( -1.798 -2.690 0.135) 3.239 15.671 ( -1.036 9.453 0.418) 9.519 15.958 ( -0.083 -0.180 -0.069) 0.210 16.337 ( -0.262 -9.282 -0.833) 9.323 ======================= Grid point 25 (13/116) ======================= q-point: ( 0.40 0.20 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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 2.098 -3.634 -0.000) 4.196 0.769 ( 0.443 -0.767 0.000) 0.885 0.773 ( -0.020 0.034 -0.000) 0.039 1.156 ( -2.320 4.019 -0.000) 4.641 1.204 ( -2.901 5.025 0.000) 5.802 1.294 ( 0.700 -1.212 -0.000) 1.400 1.741 ( -2.239 3.877 0.000) 4.477 1.866 ( -3.649 6.320 -0.000) 7.298 2.043 ( -1.333 2.308 -0.000) 2.665 2.201 ( -1.548 2.681 0.000) 3.095 2.458 ( 1.566 -2.713 0.000) 3.132 2.462 ( 3.817 -6.611 -0.000) 7.634 4.500 ( -2.942 5.095 -0.000) 5.884 4.698 ( 1.597 -2.766 0.000) 3.194 5.016 ( -0.422 0.731 -0.000) 0.844 5.510 ( 0.267 -0.462 0.000) 0.533 6.181 ( -2.258 3.911 -0.000) 4.516 6.378 ( 2.621 -4.540 0.000) 5.242 6.962 ( -0.113 0.196 0.000) 0.226 7.082 ( -4.341 7.519 0.000) 8.682 7.495 ( 3.831 -6.636 -0.000) 7.663 13.094 ( -3.623 6.275 0.000) 7.246 13.416 ( 3.623 -6.274 -0.000) 7.245 14.954 ( 0.374 -0.647 -0.000) 0.748 15.713 ( -6.385 11.060 -0.000) 12.771 15.956 ( 0.041 -0.071 0.000) 0.082 16.284 ( 5.665 -9.812 0.000) 11.330 ======================= Grid point 35 (14/116) ======================= q-point: ( 0.30 0.30 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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -0.592 -1.026 0.000) 1.185 0.755 ( 0.523 0.905 0.000) 1.045 0.780 ( -0.916 -1.586 0.000) 1.832 1.196 ( 2.208 3.824 0.000) 4.416 1.258 ( 0.258 0.447 0.000) 0.516 1.276 ( -0.951 -1.647 0.000) 1.901 1.781 ( 1.461 2.531 0.000) 2.922 1.961 ( 2.313 4.006 0.000) 4.625 2.054 ( 5.011 8.679 0.000) 10.021 2.225 ( -0.422 -0.731 0.000) 0.844 2.396 ( -3.067 -5.313 0.000) 6.134 2.415 ( -1.236 -2.142 0.000) 2.473 4.574 ( 1.780 3.082 0.000) 3.559 4.649 ( -0.994 -1.722 0.000) 1.988 5.023 ( 0.341 0.591 0.000) 0.683 5.506 ( -0.241 -0.417 0.000) 0.482 6.242 ( 1.342 2.324 0.000) 2.684 6.312 ( -1.287 -2.229 0.000) 2.574 6.963 ( -0.012 -0.021 0.000) 0.024 7.181 ( 5.303 9.185 0.000) 10.606 7.405 ( -4.851 -8.402 0.000) 9.702 13.189 ( 2.892 5.009 0.000) 5.784 13.319 ( -2.105 -3.646 0.000) 4.210 14.948 ( -0.532 -0.921 0.000) 1.063 15.869 ( 5.826 10.090 0.000) 11.651 15.955 ( -0.035 -0.061 0.000) 0.070 16.142 ( -5.774 -10.001 0.000) 11.548 ======================= Grid point 109 (15/116) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.247 ( 0.000 -0.000 11.857) 11.857 0.247 ( 0.000 -0.000 11.857) 11.857 0.497 ( 0.000 0.000 23.079) 23.079 1.025 ( 0.000 -0.000 2.595) 2.595 1.051 ( 0.000 -0.000 9.997) 9.997 1.325 ( 0.000 0.000 -2.188) 2.188 1.325 ( 0.000 0.000 -2.188) 2.188 1.398 ( 0.000 -0.000 -0.297) 0.297 1.398 ( -0.000 0.000 -0.297) 0.297 1.797 ( 0.000 0.000 0.961) 0.961 1.797 ( -0.000 0.000 0.961) 0.961 2.644 ( 0.000 -0.000 -0.921) 0.921 4.458 ( 0.000 0.000 -8.180) 8.180 4.458 ( 0.000 0.000 -8.180) 8.180 4.691 ( 0.000 0.000 -2.012) 2.012 6.176 ( 0.000 -0.000 3.890) 3.890 6.176 ( -0.000 0.000 3.890) 3.890 6.410 ( 0.000 0.000 0.053) 0.053 6.410 ( -0.000 0.000 0.053) 0.053 6.760 ( 0.000 -0.000 -11.322) 11.322 7.253 ( 0.000 0.000 10.379) 10.379 12.931 ( 0.000 -0.000 1.793) 1.793 12.931 ( 0.000 0.000 1.793) 1.793 15.509 ( 0.000 -0.000 -0.905) 0.905 15.509 ( -0.000 0.000 -0.905) 0.905 15.976 ( 0.000 -0.000 -0.515) 0.515 16.465 ( 0.000 -0.000 -3.108) 3.108 ======================= Grid point 110 (16/116) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( 5.932 3.425 9.601) 11.794 0.355 ( 7.638 4.410 7.694) 11.704 0.684 ( 13.698 7.908 13.790) 20.984 0.954 ( -2.115 -1.221 1.491) 2.862 1.119 ( 4.858 2.805 8.649) 10.309 1.247 ( -2.513 -1.451 -2.213) 3.649 1.279 ( -4.464 -2.577 3.061) 5.995 1.441 ( 2.946 1.701 5.489) 6.457 1.473 ( 3.926 2.267 -1.154) 4.678 1.819 ( 2.607 1.505 0.781) 3.111 1.871 ( 6.505 3.756 0.782) 7.552 2.775 ( 4.680 2.702 -12.363) 13.492 4.429 ( -1.736 -1.002 -8.835) 9.059 4.519 ( 3.536 2.042 -9.684) 10.510 4.713 ( 1.973 1.139 -2.024) 3.048 5.940 ( -14.810 -8.551 11.608) 20.669 6.183 ( -0.098 -0.057 4.201) 4.203 6.220 ( 4.028 2.326 3.022) 5.547 6.421 ( 1.054 0.608 0.101) 1.221 7.014 ( 2.792 1.612 0.709) 3.301 7.533 ( 14.437 8.335 -14.882) 22.346 12.931 ( 0.138 0.080 1.516) 1.524 13.009 ( 6.240 3.603 2.115) 7.510 15.420 ( -4.663 -2.692 5.509) 7.704 15.509 ( -0.259 -0.150 -0.613) 0.682 15.987 ( 0.221 0.128 0.114) 0.280 16.446 ( -2.202 -1.271 -8.826) 9.185 ======================= Grid point 111 (17/116) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 7.985 4.610 6.631) 11.357 0.527 ( 7.257 4.190 5.776) 10.178 0.865 ( 0.860 0.497 -1.656) 1.931 1.096 ( 12.896 7.446 5.795) 15.979 1.128 ( -3.135 -1.810 -0.581) 3.666 1.202 ( -0.558 -0.322 2.971) 3.040 1.320 ( 7.444 4.298 4.726) 9.810 1.474 ( 0.351 0.203 9.253) 9.262 1.565 ( 4.218 2.435 -2.147) 5.323 1.908 ( 5.137 2.966 1.428) 6.101 2.058 ( 9.459 5.461 -0.615) 10.939 2.801 ( -1.316 -0.760 -10.915) 11.020 4.383 ( -2.324 -1.342 -9.088) 9.476 4.591 ( 2.850 1.645 -9.176) 9.748 4.775 ( 3.546 2.047 -2.198) 4.647 5.739 ( -5.509 -3.181 7.426) 9.778 6.174 ( -0.657 -0.379 4.126) 4.195 6.361 ( 8.197 4.733 1.101) 9.529 6.452 ( 1.575 0.909 0.340) 1.850 7.031 ( -0.067 -0.039 4.700) 4.700 7.710 ( 3.157 1.823 -9.674) 10.338 12.937 ( 0.403 0.233 1.157) 1.247 13.181 ( 8.859 5.114 3.325) 10.756 15.319 ( -4.873 -2.813 6.595) 8.669 15.498 ( -0.670 -0.387 -0.304) 0.831 15.981 ( -0.675 -0.390 0.700) 1.048 16.393 ( -2.117 -1.222 -12.767) 12.999 ======================= Grid point 112 (18/116) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 7.296 4.213 5.037) 9.816 0.660 ( 4.355 2.515 3.274) 6.001 0.870 ( 0.172 0.099 -0.246) 0.316 1.053 ( -3.342 -1.930 -1.674) 4.207 1.111 ( -2.442 -1.410 2.995) 4.114 1.428 ( 4.381 2.529 8.146) 9.589 1.482 ( 6.729 3.885 4.014) 8.746 1.519 ( 10.337 5.968 1.820) 12.074 1.654 ( 3.594 2.075 -2.674) 4.937 2.031 ( 5.505 3.178 2.320) 6.767 2.253 ( 7.411 4.279 -2.618) 8.949 2.748 ( -2.886 -1.666 -6.775) 7.550 4.332 ( -2.113 -1.220 -8.910) 9.238 4.643 ( 1.780 1.028 -8.501) 8.746 4.860 ( 3.835 2.214 -2.452) 5.061 5.648 ( -3.081 -1.779 5.518) 6.565 6.157 ( -0.821 -0.474 3.887) 4.001 6.485 ( 1.321 0.763 0.519) 1.612 6.563 ( 9.607 5.546 0.129) 11.094 7.026 ( -0.237 -0.137 4.403) 4.411 7.725 ( -1.146 -0.662 -4.161) 4.367 12.947 ( 0.493 0.284 0.852) 1.024 13.382 ( 8.742 5.047 3.514) 10.688 15.196 ( -6.103 -3.523 5.514) 8.947 15.481 ( -0.817 -0.472 -0.095) 0.948 15.963 ( -0.773 -0.446 -0.132) 0.902 16.363 ( -0.535 -0.309 -12.571) 12.586 ======================= Grid point 113 (19/116) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.920 0.531 -0.054) 1.064 0.781 ( 3.590 2.073 2.906) 5.062 0.874 ( -0.129 -0.075 2.433) 2.437 0.995 ( -1.223 -0.706 -0.412) 1.471 1.071 ( -1.043 -0.602 3.697) 3.888 1.434 ( -0.497 -0.287 9.687) 9.704 1.608 ( 4.469 2.580 3.578) 6.279 1.717 ( 2.025 1.169 -2.599) 3.496 1.797 ( 10.814 6.243 -3.915) 13.086 2.131 ( 3.104 1.792 2.524) 4.384 2.361 ( 2.112 1.219 -6.288) 6.744 2.694 ( -1.615 -0.933 -0.882) 2.063 4.296 ( -0.905 -0.523 -8.391) 8.456 4.666 ( 0.241 0.139 -8.575) 8.579 4.934 ( 2.569 1.483 -2.599) 3.944 5.595 ( -1.711 -0.988 4.797) 5.188 6.139 ( -0.734 -0.424 3.589) 3.687 6.507 ( 0.658 0.380 0.556) 0.942 6.768 ( 8.421 4.862 0.568) 9.741 7.020 ( -0.434 -0.251 3.389) 3.426 7.677 ( -2.864 -1.654 -1.356) 3.575 12.957 ( 0.396 0.229 0.705) 0.840 13.542 ( 4.967 2.868 2.435) 6.231 15.066 ( -5.017 -2.896 3.775) 6.914 15.464 ( -0.649 -0.374 -0.056) 0.751 15.950 ( -0.332 -0.192 -0.846) 0.929 16.369 ( 1.034 0.597 -10.352) 10.421 ======================= Grid point 114 (20/116) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 1.042 0.601 -1.643) 2.036 0.782 ( -2.890 -1.668 -0.822) 3.436 0.845 ( -2.617 -1.511 2.122) 3.693 1.025 ( 3.323 1.919 3.214) 5.006 1.066 ( 0.438 0.253 4.867) 4.893 1.424 ( -0.382 -0.221 9.138) 9.149 1.672 ( 1.048 0.605 4.124) 4.298 1.742 ( 0.257 0.148 -2.168) 2.188 1.935 ( 0.343 0.198 -4.573) 4.590 2.158 ( -0.784 -0.452 1.929) 2.131 2.380 ( 0.997 0.575 -8.762) 8.837 2.675 ( -0.455 -0.263 2.450) 2.506 4.296 ( 0.886 0.512 -7.645) 7.713 4.653 ( -1.373 -0.793 -9.243) 9.378 4.966 ( 0.172 0.099 -2.567) 2.575 5.572 ( -0.338 -0.195 4.369) 4.386 6.126 ( -0.458 -0.264 3.259) 3.302 6.513 ( -0.102 -0.059 0.484) 0.498 6.920 ( 5.011 2.893 2.990) 6.513 6.997 ( -2.098 -1.211 2.176) 3.257 7.618 ( -1.860 -1.074 -1.384) 2.555 12.964 ( 0.171 0.099 0.766) 0.791 13.578 ( -1.918 -1.107 0.749) 2.338 14.999 ( -0.661 -0.382 2.675) 2.782 15.454 ( -0.237 -0.137 -0.200) 0.339 15.948 ( 0.129 0.075 -0.898) 0.910 16.405 ( 2.111 1.219 -8.189) 8.544 ======================= Grid point 116 (21/116) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -4.887 -2.822 -0.941) 5.721 0.748 ( -3.037 -1.754 -1.135) 3.686 0.786 ( 0.978 0.565 0.359) 1.185 1.082 ( 1.052 0.608 4.542) 4.702 1.105 ( 3.497 2.019 3.938) 5.640 1.413 ( -0.697 -0.402 9.085) 9.121 1.648 ( -3.177 -1.834 5.126) 6.304 1.726 ( -1.895 -1.094 -1.729) 2.789 1.813 ( -10.087 -5.824 -1.934) 11.807 2.104 ( -3.712 -2.143 1.170) 4.444 2.395 ( -1.543 -0.891 -6.731) 6.962 2.682 ( 1.811 1.046 -0.972) 2.306 4.333 ( 2.319 1.339 -6.941) 7.440 4.610 ( -2.405 -1.389 -10.142) 10.515 4.940 ( -2.369 -1.368 -2.411) 3.646 5.580 ( 1.017 0.587 4.126) 4.290 6.120 ( -0.052 -0.030 2.968) 2.968 6.503 ( -0.775 -0.447 0.368) 0.967 6.904 ( -6.464 -3.732 3.058) 8.066 6.995 ( 2.002 1.156 4.993) 5.503 7.611 ( 1.103 0.637 -4.172) 4.362 12.965 ( -0.108 -0.062 1.019) 1.027 13.467 ( -7.500 -4.330 -0.246) 8.664 15.035 ( 3.559 2.055 2.486) 4.803 15.454 ( 0.258 0.149 -0.479) 0.564 15.955 ( 0.428 0.247 -0.568) 0.753 16.456 ( 2.363 1.364 -7.068) 7.577 ======================= Grid point 117 (22/116) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -5.684 -3.282 0.767) 6.608 0.628 ( -6.445 -3.721 2.060) 7.722 0.843 ( 2.440 1.409 -2.669) 3.881 1.117 ( 2.049 1.183 3.242) 4.014 1.175 ( 2.782 1.606 3.786) 4.966 1.385 ( -2.500 -1.443 9.512) 9.940 1.533 ( -7.099 -4.098 6.546) 10.490 1.541 ( -12.937 -7.469 1.773) 15.043 1.656 ( -4.190 -2.419 -2.382) 5.392 2.011 ( -4.380 -2.529 1.123) 5.181 2.278 ( -8.343 -4.817 -2.363) 9.919 2.755 ( 3.895 2.248 -7.341) 8.609 4.391 ( 2.665 1.539 -6.607) 7.289 4.553 ( -2.506 -1.447 -10.889) 11.267 4.868 ( -3.914 -2.260 -2.240) 5.044 5.618 ( 2.507 1.447 4.370) 5.242 6.124 ( 0.384 0.222 2.824) 2.859 6.481 ( -1.236 -0.713 0.279) 1.454 6.718 ( -9.810 -5.664 3.818) 11.954 7.024 ( 0.871 0.503 6.251) 6.331 7.647 ( 1.558 0.900 -7.625) 7.834 12.959 ( -0.360 -0.208 1.381) 1.442 13.277 ( -8.884 -5.129 0.105) 10.259 15.138 ( 5.328 3.076 3.169) 6.921 15.465 ( 0.655 0.378 -0.793) 1.096 15.966 ( 0.577 0.333 -0.101) 0.673 16.502 ( 1.587 0.916 -7.357) 7.582 ======================= Grid point 118 (23/116) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -6.012 -3.471 3.865) 7.946 0.474 ( -7.224 -4.171 4.679) 9.564 0.877 ( 0.439 0.253 -2.385) 2.439 1.076 ( -11.432 -6.600 5.390) 14.259 1.221 ( 0.598 0.345 4.679) 4.730 1.268 ( -0.218 -0.126 4.645) 4.652 1.357 ( -7.322 -4.227 5.681) 10.186 1.395 ( -1.853 -1.070 7.706) 7.997 1.552 ( -4.973 -2.871 -2.550) 6.284 1.916 ( -4.030 -2.327 1.519) 4.895 2.062 ( -10.339 -5.969 -1.079) 11.987 2.820 ( 1.386 0.800 -11.125) 11.239 4.442 ( 1.834 1.059 -6.813) 7.135 4.505 ( -1.818 -1.050 -11.268) 11.461 4.780 ( -3.757 -2.169 -2.098) 4.818 5.700 ( 5.336 3.081 6.222) 8.757 6.137 ( 0.781 0.451 2.929) 3.065 6.451 ( -1.368 -0.790 0.236) 1.597 6.493 ( -9.921 -5.728 4.346) 12.252 7.036 ( 0.145 0.084 5.927) 5.929 7.652 ( -1.854 -1.071 -12.057) 12.246 12.950 ( -0.497 -0.287 1.711) 1.804 13.097 ( -7.012 -4.048 1.292) 8.199 15.262 ( 5.790 3.343 4.870) 8.271 15.482 ( 0.809 0.467 -1.019) 1.383 15.979 ( 0.529 0.306 0.309) 0.685 16.520 ( -0.097 -0.056 -8.806) 8.806 ======================= Grid point 119 (24/116) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( -5.051 -2.916 8.256) 10.108 0.323 ( -5.829 -3.365 8.789) 11.070 0.701 ( -14.894 -8.599 14.373) 22.413 0.944 ( 2.680 1.547 0.224) 3.103 1.127 ( -6.174 -3.565 9.256) 11.683 1.311 ( 0.413 0.238 -1.555) 1.626 1.320 ( 1.922 1.109 0.969) 2.421 1.385 ( 1.601 0.925 8.827) 9.019 1.443 ( -4.659 -2.690 -2.356) 5.873 1.837 ( -2.912 -1.681 1.457) 3.664 1.861 ( -6.752 -3.898 -0.206) 7.800 2.784 ( -5.469 -3.158 -12.639) 14.128 4.466 ( 0.288 0.166 -7.443) 7.451 4.472 ( -1.241 -0.716 -10.748) 10.843 4.713 ( -2.055 -1.186 -2.008) 3.109 5.903 ( 15.025 8.675 10.725) 20.397 6.157 ( 0.983 0.568 3.330) 3.518 6.302 ( -6.572 -3.794 4.873) 9.018 6.423 ( -1.028 -0.594 0.170) 1.199 7.016 ( -3.151 -1.819 0.742) 3.713 7.509 ( -12.726 -7.348 -15.239) 21.170 12.939 ( -0.441 -0.255 1.870) 1.939 12.977 ( -3.746 -2.163 1.983) 4.758 15.399 ( 6.734 3.888 5.889) 9.754 15.499 ( 0.658 0.380 -1.063) 1.306 15.986 ( -0.084 -0.048 0.054) 0.111 16.496 ( -1.966 -1.135 -8.831) 9.118 ======================= Grid point 121 (25/116) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 4.696 5.483 7.143) 10.156 0.474 ( 6.717 7.310 4.736) 10.999 0.867 ( 0.795 3.224 -0.075) 3.322 1.004 ( 7.752 12.275 6.268) 15.813 1.162 ( -3.983 -1.816 3.570) 5.649 1.277 ( -0.145 6.320 5.712) 8.520 1.291 ( -1.217 3.135 0.414) 3.389 1.424 ( 3.978 -1.743 8.207) 9.285 1.538 ( 3.499 4.394 -1.302) 5.766 1.887 ( 1.939 4.626 1.435) 5.217 2.001 ( 5.475 9.373 -0.569) 10.869 2.812 ( -1.002 -0.026 -11.819) 11.861 4.423 ( -2.756 0.171 -8.929) 9.346 4.533 ( 3.854 -0.276 -9.183) 9.963 4.759 ( 1.951 3.597 -2.355) 4.721 5.753 ( -2.464 -7.721 7.742) 11.208 6.181 ( 2.845 -0.720 2.960) 4.169 6.319 ( -2.854 5.918 3.237) 7.325 6.480 ( 2.052 5.945 0.673) 6.325 7.033 ( -0.103 0.345 4.883) 4.897 7.660 ( 4.443 3.214 -12.504) 13.653 12.952 ( 0.050 1.830 1.051) 2.111 13.081 ( 6.669 4.367 2.821) 8.456 15.316 ( -1.405 -6.745 5.925) 9.087 15.503 ( 0.886 -0.162 -0.888) 1.265 15.983 ( -0.158 -0.482 0.534) 0.736 16.460 ( -5.124 1.240 -10.439) 11.694 ======================= Grid point 122 (26/116) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 6.597 3.095 5.448) 9.098 0.642 ( 4.816 6.184 2.939) 8.371 0.873 ( -0.055 -0.029 -1.628) 1.629 1.074 ( -2.874 -2.199 1.861) 4.069 1.206 ( -4.043 3.317 1.046) 5.333 1.325 ( 9.583 10.163 2.609) 14.210 1.442 ( 5.482 7.444 4.963) 10.492 1.464 ( 2.522 0.921 8.436) 8.853 1.638 ( 3.232 4.968 -2.015) 6.260 1.987 ( 4.320 4.845 1.879) 6.758 2.188 ( 6.380 7.328 -1.691) 9.862 2.764 ( -2.313 -3.310 -8.481) 9.393 4.378 ( -3.167 0.837 -9.067) 9.641 4.591 ( 3.853 -1.185 -8.206) 9.143 4.837 ( 2.695 3.960 -2.767) 5.532 5.664 ( -1.971 -3.763 5.656) 7.074 6.197 ( -1.603 1.722 3.546) 4.256 6.367 ( 5.009 -0.853 1.378) 5.265 6.594 ( 2.181 10.471 0.323) 10.700 7.030 ( -0.284 -0.007 5.054) 5.062 7.708 ( 1.224 -2.087 -6.358) 6.803 12.970 ( -0.719 3.054 0.664) 3.207 13.258 ( 9.593 3.116 3.360) 10.631 15.216 ( -2.896 -6.633 5.150) 8.883 15.519 ( -0.422 2.263 -0.476) 2.351 15.971 ( -0.645 -0.503 0.350) 0.890 16.384 ( -3.653 -0.722 -11.565) 12.149 ======================= Grid point 123 (27/116) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 5.887 0.548 3.906) 7.086 0.726 ( 1.097 1.013 0.676) 1.639 0.870 ( -0.041 -1.419 -0.073) 1.422 1.047 ( -0.796 3.978 2.776) 4.915 1.149 ( -5.536 3.589 0.736) 6.638 1.425 ( 0.529 -1.146 9.316) 9.401 1.591 ( 3.623 7.067 4.107) 8.941 1.639 ( 8.851 5.341 -2.275) 10.584 1.750 ( 4.270 7.483 -2.556) 8.986 2.104 ( 3.787 4.223 2.314) 6.126 2.325 ( 3.698 2.497 -4.542) 6.367 2.691 ( -1.425 -4.229 -3.374) 5.595 4.339 ( -2.944 2.009 -8.781) 9.477 4.634 ( 2.741 -1.530 -8.190) 8.771 4.915 ( 2.311 3.075 -2.775) 4.743 5.608 ( -1.503 -2.053 4.950) 5.565 6.178 ( -2.585 2.217 3.600) 4.956 6.436 ( 5.016 -3.050 1.123) 5.977 6.749 ( 3.813 10.547 -0.237) 11.218 7.027 ( -0.315 0.315 4.266) 4.289 7.676 ( -0.836 -4.421 -2.373) 5.087 12.986 ( -1.269 3.682 0.559) 3.934 13.435 ( 8.798 0.417 2.881) 9.267 15.100 ( -3.728 -5.361 3.960) 7.636 15.529 ( -2.640 5.038 -0.271) 5.694 15.956 ( -0.628 -0.307 -0.456) 0.835 16.337 ( 0.275 -2.972 -10.662) 11.072 ======================= Grid point 124 (28/116) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -0.134 -0.380 -0.725) 0.830 0.750 ( 3.586 -2.873 2.140) 5.069 0.838 ( -0.603 -2.948 0.739) 3.098 1.081 ( -4.925 6.214 0.664) 7.957 1.119 ( -0.706 5.813 4.681) 7.497 1.416 ( 0.345 -1.350 9.221) 9.326 1.690 ( 0.679 5.457 3.923) 6.755 1.745 ( 1.235 2.632 -2.414) 3.778 1.913 ( 4.500 4.792 -5.018) 8.270 2.173 ( 0.177 2.259 1.887) 2.948 2.357 ( 0.960 -1.566 -7.690) 7.906 2.651 ( 0.946 -3.562 1.865) 4.131 4.324 ( -1.822 3.287 -8.182) 9.004 4.647 ( 0.679 -1.930 -8.826) 9.060 4.965 ( 0.836 1.538 -2.630) 3.159 5.576 ( -0.654 -0.903 4.603) 4.736 6.159 ( -2.238 2.216 3.375) 4.616 6.472 ( 2.947 -3.111 1.163) 4.441 6.899 ( 3.385 7.013 0.546) 7.807 7.023 ( -1.211 1.275 3.248) 3.694 7.611 ( -0.854 -5.107 -0.744) 5.231 12.998 ( -1.736 3.932 0.627) 4.344 13.533 ( 4.204 -3.555 1.546) 5.718 15.010 ( -1.995 -2.418 2.852) 4.237 15.527 ( -4.174 6.473 -0.526) 7.720 15.948 ( -0.086 -0.085 -0.912) 0.920 16.337 ( 3.767 -4.154 -8.624) 10.287 ======================= Grid point 125 (29/116) ======================= q-point: (-0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -1.071 -4.084 -0.355) 4.237 0.762 ( 0.893 1.132 -1.600) 2.154 0.807 ( -1.024 -2.097 2.059) 3.112 1.048 ( -2.765 2.427 2.270) 4.323 1.178 ( -0.866 7.113 4.042) 8.227 1.412 ( 0.313 -0.784 9.268) 9.306 1.706 ( -3.292 2.352 4.163) 5.805 1.764 ( -1.860 2.436 -1.167) 3.280 1.908 ( -6.401 -2.962 -4.304) 8.263 2.154 ( -3.327 0.036 1.019) 3.480 2.377 ( 2.420 -0.857 -8.326) 8.713 2.643 ( 1.958 -2.740 2.188) 4.016 4.342 ( -0.298 3.973 -7.479) 8.474 4.621 ( -1.117 -2.455 -9.587) 9.959 4.968 ( -1.481 0.089 -2.539) 2.941 5.570 ( 0.506 -0.003 4.343) 4.372 6.148 ( -1.714 2.493 3.041) 4.290 6.476 ( 1.399 -3.463 1.177) 3.916 6.967 ( -1.145 -0.774 0.044) 1.383 7.005 ( -2.631 4.136 5.663) 7.489 7.577 ( 1.945 -2.841 -2.154) 4.061 13.003 ( -2.152 3.866 0.840) 4.504 13.499 ( -2.256 -6.374 0.296) 6.768 15.000 ( 1.948 0.397 2.436) 3.144 15.517 ( -4.150 6.022 -0.929) 7.372 15.951 ( 0.322 0.153 -0.737) 0.819 16.376 ( 5.448 -4.097 -7.165) 9.889 ======================= Grid point 126 (30/116) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -3.939 -3.111 0.967) 5.112 0.737 ( -5.897 -0.099 0.737) 5.943 0.815 ( 2.671 1.828 -1.947) 3.777 1.047 ( 1.523 -0.264 3.430) 3.762 1.223 ( -0.731 4.992 2.714) 5.729 1.408 ( -0.614 0.233 9.622) 9.644 1.629 ( -6.972 -0.586 5.684) 9.015 1.688 ( -12.536 -6.565 -0.557) 14.162 1.725 ( -5.108 0.641 -2.197) 5.597 2.076 ( -5.208 -0.602 0.888) 5.317 2.353 ( -4.283 -2.857 -4.423) 6.788 2.686 ( 5.041 -0.447 -3.755) 6.302 4.384 ( 0.837 3.310 -7.091) 7.871 4.571 ( -1.792 -2.270 -10.021) 10.430 4.920 ( -3.701 -0.697 -2.564) 4.556 5.593 ( 1.809 0.716 4.293) 4.713 6.150 ( -1.285 3.072 2.733) 4.308 6.454 ( 0.499 -4.450 1.311) 4.666 6.846 ( -9.334 -2.429 1.660) 9.786 7.021 ( 0.190 1.263 6.176) 6.307 7.615 ( 3.351 0.321 -5.054) 6.073 13.000 ( -2.428 3.290 1.067) 4.226 13.359 ( -6.657 -5.756 0.258) 8.804 15.072 ( 5.076 1.611 2.796) 6.014 15.507 ( -3.015 4.445 -1.149) 5.493 15.960 ( 0.526 0.252 -0.292) 0.652 16.429 ( 5.163 -3.820 -7.148) 9.610 ======================= Grid point 127 (31/116) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -5.852 -1.122 3.723) 7.026 0.616 ( -8.915 1.207 2.050) 9.227 0.865 ( 1.399 0.818 -2.694) 3.144 1.094 ( 4.425 -0.866 3.238) 5.551 1.232 ( -3.902 0.537 2.451) 4.639 1.387 ( -9.043 1.189 6.060) 10.950 1.404 ( -5.304 -5.398 5.078) 9.114 1.473 ( -9.080 -2.164 6.768) 11.530 1.633 ( -5.951 -0.118 -2.064) 6.300 1.980 ( -5.441 -0.593 1.395) 5.648 2.198 ( -10.057 -2.853 -1.650) 10.583 2.771 ( 4.605 -0.212 -8.694) 9.841 4.420 ( 1.106 0.056 -7.788) 7.867 4.533 ( -1.416 0.674 -9.563) 9.690 4.840 ( -4.788 -0.686 -2.601) 5.492 5.647 ( 3.646 1.414 5.012) 6.357 6.163 ( -1.023 3.624 2.614) 4.584 6.406 ( -0.313 -5.916 1.897) 6.221 6.647 ( -10.802 -2.379 1.951) 11.231 7.032 ( 0.338 0.160 6.031) 6.042 7.667 ( 1.097 1.600 -8.129) 8.357 12.984 ( -2.349 1.564 1.052) 3.012 13.196 ( -7.860 -1.706 1.591) 8.199 15.187 ( 6.360 2.065 4.053) 7.819 15.503 ( -1.576 2.546 -1.122) 3.197 15.972 ( 0.630 0.209 0.200) 0.694 16.464 ( 3.510 -4.283 -8.621) 10.246 ======================= Grid point 132 (32/116) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 3.274 2.446 3.333) 5.274 0.731 ( 1.209 3.015 0.845) 3.356 0.848 ( 0.249 -2.644 -1.636) 3.119 1.065 ( 1.881 1.443 3.191) 3.975 1.250 ( -1.846 1.357 0.832) 2.437 1.416 ( -0.073 0.037 9.051) 9.052 1.593 ( 5.084 12.163 -0.379) 13.188 1.614 ( 3.765 8.662 4.720) 10.558 1.744 ( 4.282 5.593 -2.095) 7.349 2.082 ( 3.968 4.822 1.366) 6.393 2.311 ( 1.718 4.832 -3.649) 6.294 2.678 ( -2.872 -5.140 -4.474) 7.394 4.406 ( -1.562 1.637 -8.708) 8.997 4.566 ( 2.651 -0.879 -8.201) 8.663 4.913 ( 1.937 3.630 -2.936) 5.055 5.605 ( -0.789 -2.384 4.714) 5.341 6.215 ( 2.201 0.130 2.735) 3.513 6.372 ( -1.359 1.199 2.168) 2.826 6.799 ( 2.823 10.233 -0.016) 10.616 7.033 ( 0.252 0.504 5.600) 5.628 7.637 ( -0.555 -4.923 -3.977) 6.353 13.039 ( 0.981 3.584 0.424) 3.740 13.314 ( 5.096 3.048 2.169) 6.322 15.095 ( -2.288 -5.625 3.402) 6.960 15.575 ( 3.252 3.418 -1.309) 4.896 15.962 ( -0.387 -0.451 -0.023) 0.595 16.347 ( -5.606 -3.164 -8.772) 10.880 ======================= Grid point 133 (33/116) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 2.814 -1.762 2.994) 4.471 0.738 ( -0.791 0.903 0.236) 1.223 0.819 ( -0.303 -2.950 -0.833) 3.080 1.158 ( 3.241 5.614 3.883) 7.556 1.221 ( -4.150 3.437 0.446) 5.407 1.400 ( -0.566 -1.545 8.778) 8.931 1.735 ( 1.736 7.019 4.566) 8.551 1.761 ( 2.307 7.969 -3.434) 8.979 1.884 ( 5.485 5.779 -3.688) 8.779 2.182 ( 2.241 3.137 0.432) 3.879 2.336 ( -0.414 -0.860 -5.842) 5.919 2.596 ( -0.525 -5.384 1.007) 5.502 4.401 ( -2.263 4.085 -8.771) 9.937 4.596 ( 2.465 -2.279 -8.414) 9.059 4.967 ( 1.104 2.213 -2.727) 3.682 5.576 ( -0.597 -1.274 4.716) 4.921 6.227 ( -1.969 2.663 3.200) 4.605 6.384 ( 2.909 -2.338 2.037) 4.252 6.922 ( 1.830 5.826 -0.891) 6.171 7.062 ( 0.526 4.814 4.523) 6.626 7.561 ( -1.075 -7.316 -0.985) 7.460 13.081 ( -1.469 5.876 0.372) 6.068 13.406 ( 5.444 -3.117 1.787) 6.523 15.014 ( -1.878 -3.362 2.710) 4.709 15.659 ( -0.534 8.260 -1.528) 8.417 15.951 ( -0.491 -0.172 -0.547) 0.755 16.240 ( -0.601 -6.996 -7.958) 10.613 ======================= Grid point 134 (34/116) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 1.032 -3.378 2.042) 4.080 0.753 ( 1.068 1.044 -0.565) 1.597 0.789 ( -0.292 -2.028 0.535) 2.117 1.174 ( -5.678 4.303 1.230) 7.230 1.244 ( 0.241 4.785 3.053) 5.681 1.385 ( 1.224 -1.803 8.891) 9.154 1.786 ( -2.017 3.958 3.418) 5.605 1.836 ( -1.602 6.434 -1.582) 6.816 1.972 ( -2.105 1.292 -5.885) 6.382 2.192 ( -0.295 -1.182 -2.730) 2.990 2.333 ( 0.629 0.470 -3.867) 3.946 2.563 ( 2.778 -5.179 3.187) 6.686 4.410 ( -2.098 5.081 -8.311) 9.964 4.597 ( 0.773 -3.132 -9.133) 9.686 4.988 ( -0.412 0.840 -2.511) 2.679 5.563 ( 0.097 -0.400 4.655) 4.674 6.216 ( -2.649 3.601 3.109) 5.446 6.404 ( 2.689 -3.845 2.180) 5.174 6.966 ( 0.400 0.497 0.339) 0.722 7.117 ( -3.154 7.341 3.052) 8.552 7.492 ( 2.385 -6.678 -0.242) 7.095 13.101 ( -3.282 6.439 0.643) 7.256 13.426 ( 2.752 -6.806 0.888) 7.395 14.979 ( 0.301 -0.861 2.311) 2.485 15.690 ( -6.500 9.761 -2.111) 11.916 15.947 ( 0.162 0.054 -0.829) 0.846 16.212 ( 6.262 -8.367 -6.562) 12.341 ======================= Grid point 136 (35/116) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -0.919 -1.358 1.800) 2.435 0.767 ( -0.145 -1.848 1.002) 2.107 0.791 ( 2.077 1.554 -1.255) 2.881 1.115 ( -5.858 3.715 2.181) 7.271 1.264 ( -0.713 1.076 1.860) 2.264 1.402 ( 1.454 -0.235 9.320) 9.436 1.744 ( -6.028 1.157 4.400) 7.552 1.819 ( -7.279 -0.217 -0.888) 7.337 1.840 ( -8.274 -0.699 -4.606) 9.496 2.164 ( -4.242 1.027 -0.209) 4.369 2.353 ( 1.333 -1.410 -6.356) 6.646 2.592 ( 4.776 -1.835 1.269) 5.271 4.422 ( -1.479 2.927 -8.063) 8.704 4.571 ( -0.499 -1.767 -9.165) 9.347 4.969 ( -2.384 0.006 -2.663) 3.574 5.572 ( 1.139 0.192 4.560) 4.704 6.213 ( -2.006 3.654 2.770) 5.005 6.397 ( 1.149 -4.074 2.304) 4.820 6.945 ( -3.649 -1.151 -0.645) 3.881 7.071 ( -5.434 1.652 5.652) 8.012 7.536 ( 6.023 -0.630 -2.090) 6.406 13.091 ( -4.051 3.827 0.721) 5.619 13.379 ( -1.433 -4.322 0.812) 4.625 15.009 ( 3.412 0.449 2.490) 4.247 15.644 ( -7.213 5.526 -2.134) 9.334 15.954 ( 0.398 0.141 -0.423) 0.598 16.272 ( 7.949 -5.405 -6.769) 11.756 ======================= Grid point 144 (36/116) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -0.357 -1.016 2.702) 2.908 0.757 ( -0.389 0.889 0.072) 0.973 0.775 ( -0.002 -1.486 -0.466) 1.557 1.243 ( 4.342 3.098 2.525) 5.901 1.272 ( -1.376 1.793 1.449) 2.685 1.360 ( -1.482 -2.401 8.703) 9.149 1.827 ( 1.295 2.387 3.608) 4.516 1.914 ( 0.917 4.529 -3.333) 5.698 1.984 ( 5.256 6.413 -5.273) 9.826 2.160 ( -3.018 -5.457 -6.247) 8.827 2.362 ( 2.113 4.001 0.518) 4.555 2.492 ( -2.908 -5.158 2.931) 6.607 4.478 ( 1.249 3.248 -8.798) 9.461 4.551 ( -0.570 -2.164 -8.911) 9.188 4.996 ( 0.418 0.759 -2.441) 2.590 5.560 ( -0.190 -0.390 4.763) 4.783 6.275 ( 1.705 2.164 2.954) 4.040 6.343 ( -1.532 -1.902 2.716) 3.653 6.966 ( 0.117 0.418 0.298) 0.526 7.209 ( 4.050 8.244 2.475) 9.513 7.409 ( -3.725 -7.767 0.334) 8.621 13.196 ( 2.646 5.317 0.584) 5.968 13.330 ( -1.775 -4.153 0.912) 4.608 14.972 ( -0.564 -1.059 2.204) 2.509 15.832 ( 5.862 8.946 -3.374) 11.215 15.949 ( -0.255 -0.077 -0.580) 0.638 16.080 ( -5.721 -8.722 -5.615) 11.846 ======================= Grid point 218 (37/116) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 0.000 0.000 11.558) 11.558 0.493 ( 0.000 0.000 11.558) 11.558 0.940 ( 0.000 0.000 18.135) 18.135 1.106 ( 0.000 0.000 5.951) 5.951 1.274 ( 0.000 -0.000 -2.352) 2.352 1.274 ( 0.000 0.000 -2.352) 2.352 1.310 ( 0.000 -0.000 13.708) 13.708 1.396 ( 0.000 0.000 0.447) 0.447 1.396 ( 0.000 0.000 0.447) 0.447 1.818 ( 0.000 -0.000 0.935) 0.935 1.818 ( 0.000 -0.000 0.935) 0.935 2.615 ( 0.000 -0.000 -1.808) 1.808 4.229 ( 0.000 0.000 -13.111) 13.111 4.229 ( 0.000 0.000 -13.111) 13.111 4.632 ( 0.000 0.000 -3.501) 3.501 6.276 ( 0.000 0.000 5.236) 5.236 6.276 ( 0.000 -0.000 5.236) 5.236 6.411 ( 0.000 -0.000 0.065) 0.065 6.411 ( -0.000 0.000 0.065) 0.065 6.543 ( 0.000 -0.000 -9.228) 9.228 7.444 ( 0.000 0.000 7.753) 7.753 12.982 ( 0.000 -0.000 2.918) 2.918 12.982 ( 0.000 0.000 2.918) 2.918 15.483 ( 0.000 0.000 -1.506) 1.506 15.483 ( 0.000 0.000 -1.506) 1.506 15.964 ( 0.000 -0.000 -0.544) 0.544 16.376 ( 0.000 -0.000 -5.299) 5.299 ======================= Grid point 219 (38/116) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 3.472 2.005 7.993) 8.943 0.546 ( 3.868 2.233 11.755) 12.575 0.943 ( -2.281 -1.317 7.456) 7.907 1.094 ( 4.503 2.600 13.248) 14.232 1.186 ( -3.942 -2.276 -2.203) 5.057 1.300 ( -2.794 -1.613 -0.066) 3.227 1.363 ( 4.310 2.488 12.417) 13.378 1.449 ( 2.951 1.704 -0.636) 3.466 1.509 ( 8.865 5.118 1.814) 10.396 1.840 ( 2.930 1.691 0.987) 3.524 1.906 ( 6.438 3.717 1.996) 7.697 2.604 ( -1.012 -0.584 -5.220) 5.349 4.192 ( -2.017 -1.165 -13.240) 13.443 4.275 ( 2.681 1.548 -13.431) 13.783 4.654 ( 1.950 1.126 -3.473) 4.140 6.079 ( -13.085 -7.555 3.097) 15.423 6.283 ( -0.294 -0.170 4.896) 4.908 6.306 ( 3.141 1.813 4.796) 6.013 6.426 ( 1.353 0.781 0.394) 1.611 6.907 ( 14.857 8.578 -8.205) 19.017 7.460 ( 1.976 1.141 3.630) 4.288 12.976 ( -0.230 -0.133 2.642) 2.655 13.058 ( 6.300 3.638 2.579) 7.718 15.469 ( -0.813 -0.470 0.203) 0.961 15.489 ( 0.055 0.032 -1.270) 1.272 15.973 ( 0.725 0.419 -1.232) 1.490 16.297 ( -6.643 -3.836 -6.059) 9.775 ======================= Grid point 220 (39/116) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 4.998 2.886 3.482) 6.741 0.656 ( 5.725 3.306 9.878) 11.886 0.899 ( -0.588 -0.339 4.297) 4.351 1.101 ( -3.664 -2.115 -1.706) 4.562 1.226 ( -3.405 -1.966 0.673) 3.988 1.267 ( 9.507 5.489 9.206) 14.327 1.476 ( 5.434 3.137 8.547) 10.603 1.524 ( 3.725 2.151 -0.544) 4.336 1.658 ( 4.188 2.418 7.146) 8.629 1.944 ( 6.155 3.554 1.925) 7.364 2.070 ( 7.558 4.364 2.104) 8.978 2.582 ( -0.507 -0.293 -9.180) 9.199 4.143 ( -2.334 -1.348 -13.309) 13.579 4.340 ( 2.909 1.680 -14.019) 14.415 4.715 ( 3.382 1.953 -3.497) 5.242 5.869 ( -6.420 -3.707 4.645) 8.749 6.269 ( -0.873 -0.504 4.538) 4.648 6.425 ( 7.200 4.157 4.448) 9.429 6.463 ( 1.790 1.033 0.718) 2.188 7.101 ( 3.459 1.997 0.783) 4.070 7.539 ( 4.424 2.554 -4.934) 7.102 12.973 ( -0.035 -0.020 2.137) 2.138 13.237 ( 9.215 5.321 2.111) 10.848 15.430 ( -3.188 -1.841 3.603) 5.151 15.485 ( -0.346 -0.200 -0.895) 0.980 15.989 ( 0.262 0.151 -0.692) 0.755 16.134 ( -6.503 -3.755 -10.599) 12.989 ======================= Grid point 221 (40/116) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 1.993 1.151 1.203) 2.597 0.779 ( 4.703 2.715 6.569) 8.524 0.914 ( 1.314 0.759 3.840) 4.129 1.030 ( -2.271 -1.311 -0.201) 2.630 1.164 ( -1.786 -1.031 1.629) 2.628 1.482 ( 9.318 5.380 1.147) 10.820 1.588 ( 4.300 2.483 1.342) 5.144 1.613 ( 4.403 2.542 3.613) 6.237 1.706 ( 0.701 0.405 11.486) 11.514 2.088 ( 6.216 3.589 3.044) 7.797 2.205 ( 3.936 2.272 -1.352) 4.741 2.598 ( 2.079 1.200 -7.041) 7.439 4.094 ( -1.911 -1.104 -13.304) 13.486 4.395 ( 1.923 1.110 -14.204) 14.377 4.795 ( 3.650 2.107 -3.610) 5.549 5.766 ( -3.311 -1.912 5.202) 6.456 6.248 ( -0.980 -0.566 4.440) 4.582 6.499 ( 1.382 0.798 0.772) 1.772 6.609 ( 9.010 5.202 3.690) 11.039 7.124 ( -0.417 -0.241 4.396) 4.422 7.617 ( 2.166 1.251 -5.431) 5.980 12.974 ( 0.145 0.084 1.603) 1.612 13.439 ( 8.330 4.809 1.757) 9.778 15.315 ( -6.954 -4.015 5.323) 9.634 15.474 ( -0.600 -0.346 -0.526) 0.870 15.955 ( -2.584 -1.492 -1.338) 3.270 16.077 ( 0.943 0.544 -13.101) 13.146 ======================= Grid point 222 (41/116) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -0.387 -0.224 0.430) 0.621 0.824 ( -1.100 -0.635 0.766) 1.483 0.920 ( -1.158 -0.669 1.638) 2.115 1.032 ( 2.697 1.557 4.181) 5.213 1.156 ( 0.811 0.468 3.942) 4.052 1.643 ( 3.598 2.077 2.878) 5.054 1.661 ( 2.324 1.342 -1.805) 3.234 1.713 ( 4.180 2.413 5.509) 7.324 1.735 ( 3.504 2.023 5.088) 6.500 2.196 ( 3.044 1.757 3.552) 4.997 2.240 ( -0.334 -0.193 -4.306) 4.323 2.659 ( 2.662 1.537 -2.500) 3.962 4.065 ( -0.514 -0.297 -13.228) 13.241 4.419 ( 0.182 0.105 -14.103) 14.105 4.866 ( 2.481 1.432 -3.731) 4.704 5.710 ( -1.832 -1.058 5.643) 6.027 6.227 ( -0.880 -0.508 4.429) 4.544 6.521 ( 0.624 0.361 0.736) 1.031 6.807 ( 8.508 4.912 2.716) 10.193 7.104 ( -1.129 -0.652 4.420) 4.609 7.630 ( -0.963 -0.556 -2.889) 3.095 12.979 ( 0.258 0.149 1.230) 1.266 13.580 ( 3.885 2.243 1.104) 4.620 15.156 ( -6.320 -3.649 4.493) 8.570 15.460 ( -0.612 -0.354 -0.292) 0.765 15.919 ( -0.617 -0.356 -2.646) 2.741 16.121 ( 2.631 1.519 -11.860) 12.242 ======================= Grid point 223 (42/116) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -0.207 -0.119 -0.497) 0.551 0.765 ( -3.482 -2.010 -0.757) 4.091 0.870 ( -2.998 -1.731 0.184) 3.467 1.113 ( 3.885 2.243 5.012) 6.726 1.178 ( 0.781 0.451 5.345) 5.420 1.668 ( 0.130 0.075 12.285) 12.286 1.690 ( 0.248 0.143 -1.586) 1.611 1.787 ( 2.253 1.301 5.605) 6.179 1.821 ( 2.005 1.158 -5.152) 5.649 2.213 ( -1.493 -0.862 3.340) 3.759 2.219 ( -0.781 -0.451 -5.511) 5.584 2.689 ( -0.253 -0.146 -0.976) 1.019 4.075 ( 1.378 0.795 -13.033) 13.129 4.403 ( -1.609 -0.929 -13.900) 14.023 4.897 ( 0.214 0.123 -3.787) 3.795 5.683 ( -0.582 -0.336 5.711) 5.751 6.210 ( -0.576 -0.333 4.457) 4.506 6.526 ( -0.197 -0.114 0.667) 0.704 6.962 ( 4.221 2.437 1.295) 5.043 7.082 ( -0.106 -0.061 5.128) 5.129 7.583 ( -2.878 -1.662 -1.786) 3.773 12.985 ( 0.293 0.169 1.149) 1.198 13.594 ( -2.721 -1.571 0.593) 3.198 15.070 ( -1.048 -0.605 3.863) 4.048 15.449 ( -0.396 -0.229 -0.275) 0.534 15.919 ( 0.485 0.280 -2.035) 2.111 16.184 ( 2.889 1.668 -11.885) 12.345 ======================= Grid point 225 (43/116) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -3.649 -2.107 0.209) 4.219 0.710 ( -0.109 -0.063 -1.327) 1.333 0.809 ( -1.786 -1.031 0.652) 2.163 1.185 ( -0.060 -0.035 5.034) 5.034 1.191 ( 3.075 1.775 4.256) 5.543 1.662 ( -0.705 -0.407 13.426) 13.451 1.671 ( -1.962 -1.133 -1.193) 2.560 1.779 ( -5.681 -3.280 -1.242) 6.676 1.800 ( -1.357 -0.784 6.936) 7.111 2.140 ( -4.615 -2.664 2.312) 5.809 2.226 ( 0.895 0.517 -7.785) 7.853 2.647 ( -3.201 -1.848 -2.469) 4.445 4.122 ( 2.664 1.538 -12.800) 13.165 4.353 ( -2.685 -1.550 -13.705) 14.051 4.874 ( -2.238 -1.292 -3.747) 4.552 5.685 ( 0.808 0.467 5.424) 5.504 6.202 ( -0.092 -0.053 4.550) 4.551 6.514 ( -0.893 -0.515 0.557) 1.171 6.938 ( -5.127 -2.960 1.275) 6.055 7.136 ( 3.271 1.889 6.691) 7.684 7.519 ( -2.523 -1.457 -4.117) 5.044 12.991 ( 0.241 0.139 1.393) 1.420 13.476 ( -7.217 -4.167 0.940) 8.387 15.107 ( 3.965 2.289 4.076) 6.130 15.444 ( -0.046 -0.026 -0.487) 0.490 15.936 ( 0.936 0.540 -1.332) 1.715 16.243 ( 2.218 1.280 -12.402) 12.664 ======================= Grid point 226 (44/116) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -3.240 -1.871 2.361) 4.424 0.673 ( -2.882 -1.664 2.269) 4.028 0.816 ( 1.771 1.023 -0.014) 2.045 1.185 ( 0.318 0.184 3.441) 3.461 1.249 ( 2.194 1.266 3.251) 4.121 1.594 ( -10.036 -5.795 5.058) 12.645 1.606 ( -3.788 -2.187 -0.989) 4.484 1.637 ( -1.973 -1.139 11.033) 11.265 1.714 ( -6.364 -3.674 9.307) 11.858 2.034 ( -4.480 -2.587 0.996) 5.268 2.203 ( -4.181 -2.414 -4.142) 6.361 2.585 ( -1.399 -0.808 -7.859) 8.023 4.183 ( 2.662 1.537 -12.722) 13.088 4.292 ( -2.702 -1.560 -13.593) 13.946 4.805 ( -3.757 -2.169 -3.630) 5.657 5.723 ( 2.801 1.617 5.100) 6.039 6.206 ( 0.466 0.269 4.708) 4.739 6.488 ( -1.333 -0.770 0.424) 1.597 6.777 ( -8.816 -5.090 2.387) 10.456 7.179 ( 0.249 0.144 7.263) 7.268 7.478 ( -1.306 -0.754 -7.685) 7.832 12.995 ( 0.091 0.053 1.885) 1.888 13.303 ( -7.883 -4.551 1.941) 9.308 15.225 ( 6.245 3.606 4.714) 8.615 15.447 ( 0.317 0.183 -0.859) 0.933 15.958 ( 1.025 0.592 -0.792) 1.424 16.278 ( 0.984 0.568 -12.849) 12.899 ======================= Grid point 227 (45/116) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -2.505 -1.447 5.458) 6.177 0.604 ( -3.191 -1.842 7.489) 8.346 0.861 ( 2.355 1.360 0.644) 2.795 1.196 ( -0.472 -0.273 4.072) 4.109 1.291 ( 1.615 0.932 2.055) 2.775 1.359 ( -9.380 -5.416 6.765) 12.770 1.509 ( -4.779 -2.759 -0.894) 5.591 1.542 ( -8.361 -4.827 11.087) 14.701 1.581 ( -3.364 -1.942 7.628) 8.560 1.944 ( -3.802 -2.195 0.865) 4.475 2.046 ( -8.713 -5.031 0.145) 10.062 2.588 ( 0.999 0.577 -9.856) 9.923 4.231 ( 1.504 0.868 -12.842) 12.959 4.241 ( -1.750 -1.010 -13.567) 13.717 4.719 ( -3.629 -2.095 -3.502) 5.462 5.823 ( 6.668 3.850 4.975) 9.167 6.223 ( 1.006 0.581 4.896) 5.032 6.457 ( -1.450 -0.837 0.301) 1.701 6.571 ( -9.251 -5.341 3.353) 11.196 7.126 ( -5.711 -3.298 0.262) 6.600 7.457 ( -0.650 -0.375 -4.095) 4.163 12.994 ( -0.121 -0.070 2.445) 2.449 13.143 ( -6.310 -3.643 2.699) 7.770 15.365 ( 5.904 3.408 4.381) 8.103 15.457 ( 0.573 0.331 -1.250) 1.415 15.977 ( 0.453 0.261 -0.808) 0.962 16.293 ( 0.746 0.431 -11.439) 11.471 ======================= Grid point 228 (46/116) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -1.292 -0.746 8.963) 9.086 0.537 ( -2.675 -1.545 11.212) 11.630 0.936 ( 3.843 2.219 4.211) 6.117 1.082 ( -5.605 -3.236 14.907) 16.252 1.279 ( -0.616 -0.356 -1.415) 1.584 1.319 ( 0.504 0.291 0.510) 0.774 1.377 ( -5.675 -3.276 11.873) 13.561 1.410 ( -3.648 -2.106 0.036) 4.212 1.483 ( -5.145 -2.970 2.182) 6.328 1.866 ( -3.087 -1.782 1.057) 3.718 1.874 ( -5.700 -3.291 1.243) 6.698 2.608 ( 0.642 0.370 -5.419) 5.469 4.218 ( -0.265 -0.153 -13.424) 13.428 4.246 ( -0.115 -0.066 -13.000) 13.001 4.655 ( -2.052 -1.185 -3.470) 4.202 6.045 ( 13.813 7.975 3.837) 16.405 6.250 ( 1.333 0.769 5.099) 5.326 6.392 ( -6.339 -3.660 3.921) 8.303 6.427 ( -1.153 -0.666 0.168) 1.342 6.898 ( -15.104 -8.721 -8.788) 19.530 7.447 ( -0.254 -0.146 4.301) 4.311 12.990 ( -0.300 -0.173 2.844) 2.865 13.028 ( -3.942 -2.276 2.767) 5.327 15.465 ( 2.641 1.525 1.086) 3.237 15.471 ( 0.624 0.360 -1.501) 1.665 15.973 ( -0.610 -0.352 -1.108) 1.313 16.330 ( 2.662 1.537 -7.098) 7.735 ======================= Grid point 230 (47/116) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 5.336 2.942 5.478) 8.194 0.597 ( 3.328 2.872 9.449) 10.422 0.890 ( -0.207 -3.024 2.219) 3.757 1.184 ( -2.304 -0.288 2.239) 3.226 1.217 ( 0.411 9.502 9.313) 13.311 1.286 ( -3.618 0.639 -0.045) 3.674 1.468 ( 2.197 7.920 10.781) 13.557 1.495 ( 3.334 3.760 0.226) 5.030 1.600 ( 5.540 3.662 5.381) 8.547 1.915 ( 2.367 5.106 1.067) 5.728 2.010 ( 5.702 7.187 1.767) 9.343 2.589 ( -0.966 -1.011 -8.799) 8.909 4.183 ( -2.926 0.276 -13.306) 13.627 4.291 ( 3.572 0.099 -13.498) 13.963 4.697 ( 1.730 3.310 -3.504) 5.121 5.887 ( -3.002 -9.047 4.711) 10.633 6.267 ( 2.930 -1.270 4.892) 5.842 6.381 ( -2.943 3.744 2.351) 5.311 6.507 ( 1.556 7.760 2.036) 8.172 7.079 ( 3.492 7.092 -2.114) 8.183 7.483 ( 3.715 1.071 -2.532) 4.621 12.988 ( -0.526 1.255 2.267) 2.644 13.139 ( 6.869 4.704 2.667) 8.742 15.417 ( -0.815 -5.427 3.381) 6.446 15.479 ( 1.332 -0.355 -1.381) 1.951 15.982 ( 0.415 0.048 -1.070) 1.149 16.239 ( -7.269 -1.489 -9.605) 12.137 ======================= Grid point 231 (48/116) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 3.197 2.601 2.987) 5.090 0.698 ( 6.146 1.282 6.351) 8.930 0.879 ( 1.314 -1.878 1.616) 2.804 1.104 ( -3.651 1.177 1.407) 4.086 1.225 ( -4.796 1.936 0.158) 5.174 1.390 ( 6.836 7.247 4.643) 10.991 1.585 ( 2.580 7.321 7.400) 10.725 1.593 ( 3.154 5.122 0.213) 6.019 1.691 ( 2.408 1.518 10.099) 10.493 2.030 ( 5.235 4.547 1.974) 7.210 2.161 ( 4.604 4.614 -0.107) 6.519 2.576 ( 0.792 -0.317 -8.697) 8.739 4.137 ( -3.097 0.813 -13.370) 13.748 4.351 ( 3.528 -0.436 -13.825) 14.275 4.769 ( 2.686 3.538 -3.637) 5.740 5.782 ( -2.091 -4.341 5.046) 6.977 6.283 ( -1.243 1.100 4.392) 4.695 6.409 ( 4.106 -0.727 2.257) 4.741 6.622 ( 2.053 10.223 2.291) 10.676 7.135 ( -0.391 1.389 4.081) 4.329 7.565 ( 4.337 -0.014 -6.117) 7.498 12.995 ( -0.799 2.358 1.639) 2.980 13.319 ( 9.397 3.061 2.282) 10.143 15.327 ( -2.630 -7.553 4.849) 9.353 15.501 ( 0.433 1.565 -1.077) 1.949 15.979 ( -0.802 -0.994 0.186) 1.291 16.112 ( -5.681 0.470 -13.392) 14.555 ======================= Grid point 232 (49/116) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 0.126 1.005 0.719) 1.242 0.784 ( 3.900 -1.749 4.615) 6.290 0.869 ( 0.946 -3.911 0.409) 4.045 1.109 ( -1.811 6.933 3.001) 7.768 1.180 ( -2.118 2.364 1.505) 3.513 1.553 ( 6.162 2.849 0.333) 6.797 1.673 ( 1.119 3.397 3.520) 5.019 1.696 ( 3.060 5.325 0.808) 6.195 1.737 ( 0.786 5.163 10.760) 11.961 2.150 ( 4.397 2.046 1.570) 5.098 2.235 ( 1.349 1.070 -2.667) 3.175 2.613 ( 3.196 0.095 -3.985) 5.109 4.102 ( -2.567 1.942 -13.376) 13.757 4.393 ( 2.288 -1.194 -13.957) 14.194 4.845 ( 2.427 2.867 -3.740) 5.301 5.724 ( -1.451 -2.115 5.520) 6.087 6.264 ( -2.435 1.876 4.293) 5.280 6.469 ( 4.101 -2.045 1.773) 4.914 6.771 ( 4.248 9.272 2.091) 10.411 7.125 ( -1.392 0.550 4.763) 4.992 7.606 ( 1.842 -2.401 -3.918) 4.951 13.006 ( -1.217 3.245 1.228) 3.677 13.484 ( 8.008 -0.136 1.643) 8.176 15.195 ( -4.278 -6.823 4.684) 9.317 15.516 ( -2.061 3.976 -0.935) 4.575 15.937 ( -2.193 -0.497 -1.965) 2.986 16.083 ( 1.396 -0.688 -12.101) 12.201 ======================= Grid point 233 (50/116) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -1.123 0.126 0.160) 1.141 0.774 ( -0.907 -3.436 -0.126) 3.556 0.865 ( 1.852 -3.308 2.084) 4.326 1.114 ( -3.076 4.470 2.396) 5.932 1.220 ( 0.405 5.545 4.454) 7.124 1.633 ( 2.930 -1.107 6.822) 7.507 1.708 ( 0.084 2.748 1.357) 3.066 1.788 ( 2.276 3.510 -2.685) 4.971 1.813 ( 0.631 6.233 5.429) 8.290 2.183 ( 0.796 -3.279 -2.292) 4.079 2.257 ( -0.736 2.252 0.471) 2.416 2.658 ( 2.613 -1.808 -1.115) 3.367 4.094 ( -1.218 3.211 -13.261) 13.698 4.400 ( 0.343 -1.985 -13.947) 14.091 4.896 ( 0.888 1.547 -3.787) 4.186 5.691 ( -0.836 -0.824 5.829) 5.946 6.243 ( -2.253 2.008 4.349) 5.294 6.501 ( 2.085 -1.929 1.440) 3.185 6.921 ( 4.425 5.430 1.327) 7.129 7.109 ( -1.587 1.759 4.539) 5.120 7.584 ( -0.469 -4.056 -1.673) 4.413 13.016 ( -1.587 3.797 1.062) 4.250 13.561 ( 3.178 -4.054 0.924) 5.233 15.083 ( -2.433 -3.214 3.900) 5.609 15.510 ( -3.664 4.968 -1.054) 6.263 15.916 ( -0.073 0.009 -2.408) 2.410 16.118 ( 4.177 -2.133 -11.083) 12.034 ======================= Grid point 234 (51/116) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -1.152 -1.391 0.313) 1.833 0.733 ( -0.975 0.164 -1.112) 1.489 0.840 ( -1.730 -1.682 0.877) 2.567 1.115 ( 0.143 0.620 3.842) 3.894 1.264 ( -1.121 4.901 4.101) 6.488 1.656 ( 1.205 -0.967 11.844) 11.944 1.715 ( -2.534 2.379 -0.626) 3.532 1.807 ( -1.896 -1.900 -3.116) 4.113 1.853 ( -2.188 4.100 5.743) 7.388 2.158 ( 0.087 -3.125 -1.906) 3.661 2.238 ( -2.601 0.999 -2.167) 3.530 2.654 ( -0.215 -3.142 -1.041) 3.317 4.122 ( 0.333 3.734 -13.080) 13.606 4.369 ( -1.347 -2.436 -13.786) 14.064 4.899 ( -1.439 0.076 -3.793) 4.057 5.681 ( 0.127 0.121 5.725) 5.727 6.230 ( -1.752 2.274 4.406) 5.259 6.503 ( 0.569 -2.191 1.264) 2.592 6.975 ( -1.417 -1.045 0.717) 1.901 7.128 ( 0.593 4.228 5.525) 6.982 7.530 ( -1.082 -3.424 -2.113) 4.166 13.025 ( -1.870 3.842 1.133) 4.421 13.512 ( -2.614 -6.138 0.800) 6.720 15.067 ( 2.177 0.300 3.773) 4.366 15.494 ( -3.496 4.410 -1.171) 5.748 15.927 ( 0.788 0.494 -1.670) 1.912 16.172 ( 4.926 -3.055 -11.465) 12.847 ======================= Grid point 235 (52/116) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -2.595 0.157 2.682) 3.735 0.725 ( -2.767 1.073 -1.276) 3.231 0.808 ( 0.014 0.682 0.583) 0.897 1.126 ( 1.833 -1.708 3.976) 4.700 1.282 ( -0.988 2.777 2.879) 4.120 1.643 ( -3.750 -2.913 5.534) 7.293 1.664 ( -3.334 -0.250 5.536) 6.467 1.701 ( -5.856 -2.274 1.227) 6.401 1.806 ( -6.394 0.340 8.697) 10.800 2.095 ( -4.465 -1.452 0.803) 4.763 2.226 ( -0.481 -0.359 -6.302) 6.330 2.602 ( -2.118 -2.314 -4.092) 5.156 4.168 ( 1.222 2.438 -13.035) 13.317 4.318 ( -2.030 -1.537 -13.528) 13.766 4.852 ( -3.543 -0.913 -3.747) 5.237 5.699 ( 1.585 0.935 5.357) 5.664 6.229 ( -1.189 2.786 4.490) 5.417 6.480 ( -0.246 -2.967 1.170) 3.199 6.875 ( -7.324 -3.330 1.451) 8.175 7.170 ( 0.755 0.897 7.029) 7.126 7.499 ( -0.698 0.139 -5.595) 5.641 13.026 ( -1.981 2.952 1.362) 3.807 13.381 ( -6.111 -4.546 1.592) 7.781 15.150 ( 5.882 2.037 4.336) 7.586 15.481 ( -2.487 3.328 -1.259) 4.341 15.948 ( 0.989 0.701 -0.962) 1.547 16.215 ( 4.163 -4.057 -12.344) 13.645 ======================= Grid point 236 (53/116) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -4.027 2.882 5.206) 7.186 0.662 ( -4.670 0.429 2.876) 5.501 0.842 ( 1.614 1.647 0.279) 2.323 1.150 ( 3.266 -1.913 2.459) 4.514 1.288 ( -0.138 0.168 1.995) 2.007 1.449 ( -9.811 -7.545 4.028) 13.016 1.588 ( -6.003 -0.239 3.953) 7.191 1.627 ( -5.378 -1.330 6.142) 8.271 1.668 ( -6.885 -0.224 10.597) 12.639 2.008 ( -5.145 -0.076 0.956) 5.233 2.158 ( -6.954 -1.441 -1.421) 7.242 2.572 ( 0.424 -0.412 -9.223) 9.242 4.192 ( 0.990 -1.750 -13.242) 13.394 4.289 ( -1.598 2.244 -13.331) 13.612 4.773 ( -4.445 -0.982 -3.638) 5.828 5.758 ( 4.220 1.824 5.057) 6.835 6.243 ( -0.720 3.382 4.638) 5.785 6.439 ( -0.572 -4.046 1.266) 4.278 6.691 ( -9.774 -3.872 2.342) 10.771 7.163 ( -1.411 -1.620 5.130) 5.561 7.496 ( -1.820 2.745 -6.910) 7.655 13.013 ( -1.681 0.734 1.708) 2.507 13.244 ( -7.284 -0.129 2.575) 7.727 15.285 ( 7.174 2.655 4.838) 9.052 15.476 ( -1.357 2.239 -1.341) 2.942 15.970 ( 0.840 0.655 -0.563) 1.205 16.230 ( 3.256 -5.350 -12.535) 14.013 ======================= Grid point 241 (54/116) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 3.705 -0.305 5.172) 6.370 0.739 ( 1.538 2.151 -0.035) 2.644 0.830 ( 0.189 -2.806 -0.130) 2.815 1.127 ( 2.197 1.446 2.695) 3.766 1.273 ( -3.103 2.360 0.936) 4.009 1.550 ( 0.585 8.593 1.906) 8.821 1.668 ( 1.765 1.763 9.095) 9.431 1.703 ( 2.939 4.685 -0.947) 5.611 1.785 ( 2.019 8.380 10.349) 13.469 2.100 ( 3.659 2.477 -0.020) 4.419 2.224 ( 1.350 1.761 -3.472) 4.120 2.579 ( 0.785 0.714 -4.713) 4.831 4.167 ( -2.067 1.874 -13.535) 13.820 4.332 ( 2.834 -1.104 -13.430) 13.770 4.841 ( 1.852 3.643 -3.786) 5.571 5.717 ( -0.498 -2.418 5.421) 5.957 6.291 ( 2.417 -0.124 4.248) 4.889 6.420 ( -1.047 1.482 2.205) 2.856 6.814 ( 1.864 9.131 1.398) 9.424 7.159 ( -1.218 1.319 5.763) 6.036 7.539 ( 2.647 -2.530 -4.964) 6.168 13.055 ( 0.630 3.411 1.026) 3.617 13.363 ( 5.387 1.884 2.173) 6.106 15.182 ( -2.479 -6.868 4.548) 8.602 15.539 ( 3.292 2.361 -1.909) 4.479 15.959 ( -0.461 -1.003 -0.324) 1.150 16.113 ( -6.274 -0.793 -12.691) 14.179 ======================= Grid point 242 (55/116) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 2.070 -2.078 2.611) 3.927 0.746 ( -1.644 0.195 1.173) 2.028 0.802 ( 0.944 -2.816 -0.068) 2.971 1.226 ( 3.077 4.554 2.484) 6.031 1.242 ( -2.998 3.835 1.128) 4.996 1.593 ( -0.006 0.196 5.611) 5.615 1.724 ( 1.702 4.225 2.650) 5.270 1.794 ( 2.176 4.438 -3.033) 5.799 1.886 ( 0.258 8.107 8.970) 12.094 2.131 ( 0.760 -3.832 -3.992) 5.586 2.280 ( 1.970 3.803 0.096) 4.284 2.593 ( 1.550 -2.362 -1.279) 3.101 4.161 ( -1.930 3.888 -13.589) 14.266 4.356 ( 1.946 -2.442 -13.718) 14.069 4.897 ( 1.222 2.362 -3.805) 4.642 5.693 ( -0.474 -1.090 5.905) 6.024 6.307 ( -1.649 2.377 4.094) 5.013 6.436 ( 2.467 -1.416 2.614) 3.863 6.921 ( 2.155 5.463 0.621) 5.905 7.162 ( -1.132 3.903 4.725) 6.232 7.530 ( 0.964 -5.323 -1.890) 5.730 13.094 ( -1.262 5.748 0.852) 5.946 13.442 ( 4.869 -3.912 1.436) 6.409 15.086 ( -2.199 -4.272 3.842) 6.152 15.613 ( -0.019 6.051 -2.680) 6.617 15.931 ( -1.939 -0.164 -1.835) 2.675 16.037 ( 0.436 -4.188 -10.326) 11.151 ======================= Grid point 243 (56/116) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -1.158 -1.301 2.061) 2.698 0.741 ( -0.006 0.305 -0.797) 0.854 0.805 ( 1.862 -2.847 1.470) 3.706 1.203 ( -5.117 4.807 1.432) 7.165 1.309 ( 0.487 2.701 2.891) 3.986 1.601 ( 2.760 -2.239 8.187) 8.925 1.777 ( -0.373 3.438 0.020) 3.459 1.836 ( -2.269 2.506 -4.863) 5.922 1.941 ( -1.918 5.775 7.817) 9.906 2.099 ( 1.908 -4.859 -3.473) 6.270 2.313 ( -3.188 3.567 0.393) 4.800 2.592 ( 2.805 -4.669 -0.319) 5.456 4.175 ( -1.496 4.680 -13.492) 14.359 4.349 ( 0.513 -3.141 -13.844) 14.205 4.920 ( -0.446 0.938 -3.792) 3.932 5.681 ( -0.118 -0.198 6.082) 6.087 6.296 ( -2.621 3.324 4.160) 5.935 6.456 ( 2.019 -2.719 2.565) 4.249 6.975 ( 0.601 0.571 0.548) 0.994 7.193 ( -1.769 6.194 3.789) 7.473 7.485 ( 1.000 -5.724 -0.429) 5.826 13.118 ( -3.069 6.430 0.917) 7.184 13.447 ( 2.340 -6.999 0.947) 7.440 15.042 ( 0.377 -1.197 3.458) 3.679 15.632 ( -5.470 7.236 -3.249) 9.635 15.919 ( 0.611 0.241 -2.327) 2.418 16.038 ( 5.172 -6.031 -9.032) 12.029 ======================= Grid point 245 (57/116) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -0.763 1.022 2.800) 3.077 0.752 ( 0.274 1.180 -1.293) 1.771 0.801 ( 0.965 -2.007 1.166) 2.514 1.162 ( -4.639 3.831 2.184) 6.401 1.308 ( -1.024 -0.711 2.139) 2.476 1.628 ( 1.957 -2.159 9.300) 9.746 1.752 ( -6.232 -2.449 -1.367) 6.834 1.772 ( -4.121 2.540 -0.561) 4.873 1.918 ( -5.556 1.257 8.808) 10.489 2.112 ( 1.895 -1.058 -3.893) 4.457 2.261 ( -4.313 1.532 -1.818) 4.925 2.593 ( 0.960 -2.394 -1.169) 2.832 4.189 ( -1.149 1.886 -13.534) 13.713 4.326 ( -0.268 -0.970 -13.566) 13.604 4.899 ( -2.528 -0.072 -3.806) 4.570 5.687 ( 0.763 0.393 5.846) 5.908 6.289 ( -2.053 3.406 4.178) 5.768 6.448 ( 0.472 -3.085 2.394) 3.933 6.946 ( -3.856 -1.592 0.577) 4.212 7.190 ( -2.487 0.972 5.377) 6.004 7.486 ( 2.511 -0.038 -2.480) 3.529 13.108 ( -3.968 3.338 0.883) 5.260 13.404 ( -0.915 -3.352 1.369) 3.735 15.077 ( 4.101 0.573 3.770) 5.600 15.590 ( -5.747 4.489 -2.819) 7.818 15.939 ( 0.875 0.732 -1.089) 1.577 16.080 ( 6.016 -5.581 -10.787) 13.554 ======================= Grid point 253 (58/116) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 0.314 -0.658 3.919) 3.986 0.753 ( -0.349 -0.060 -0.380) 0.520 0.765 ( -0.497 -0.846 -0.240) 1.010 1.285 ( 4.365 1.886 1.712) 5.053 1.309 ( -1.564 2.417 1.749) 3.369 1.565 ( -1.801 -2.070 7.016) 7.533 1.798 ( 0.488 1.746 -1.985) 2.689 1.889 ( 3.507 5.756 -2.697) 7.260 1.998 ( 1.255 2.782 9.170) 9.665 2.035 ( -2.751 -5.257 -4.139) 7.234 2.374 ( 3.768 5.567 0.044) 6.722 2.521 ( -2.913 -4.688 -0.080) 5.520 4.235 ( 1.024 3.189 -13.758) 14.160 4.306 ( -0.550 -2.411 -13.749) 13.969 4.929 ( 0.487 0.889 -3.778) 3.912 5.680 ( -0.082 -0.247 6.222) 6.228 6.350 ( 1.694 1.997 3.892) 4.691 6.409 ( -1.285 -1.400 3.300) 3.808 6.974 ( 0.269 0.819 0.477) 0.985 7.270 ( 2.315 6.039 3.003) 7.130 7.416 ( -2.058 -5.753 0.289) 6.117 13.211 ( 2.632 5.585 0.796) 6.225 13.352 ( -1.837 -4.704 1.056) 5.159 15.032 ( -0.697 -1.339 3.316) 3.644 15.740 ( 4.830 6.656 -5.103) 9.678 15.925 ( -5.652 -4.024 -7.407) 10.149 15.934 ( 0.660 -2.389 -2.209) 3.320 ======================= Grid point 327 (59/116) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 -0.000 9.851) 9.851 0.720 ( -0.000 0.000 9.851) 9.851 1.140 ( 0.000 0.000 4.182) 4.182 1.229 ( 0.000 0.000 -2.094) 2.094 1.229 ( 0.000 0.000 -2.094) 2.094 1.363 ( 0.000 0.000 15.030) 15.030 1.434 ( 0.000 -0.000 3.530) 3.530 1.434 ( 0.000 -0.000 3.530) 3.530 1.587 ( 0.000 -0.000 12.215) 12.215 1.830 ( 0.000 -0.000 0.094) 0.094 1.830 ( 0.000 0.000 0.094) 0.094 2.570 ( 0.000 -0.000 -2.458) 2.458 3.940 ( 0.000 -0.000 -13.937) 13.937 3.940 ( -0.000 0.000 -13.937) 13.937 4.552 ( 0.000 0.000 -3.878) 3.878 6.379 ( 0.000 0.000 4.301) 4.301 6.379 ( 0.000 -0.000 4.301) 4.301 6.383 ( 0.000 0.000 -6.047) 6.047 6.413 ( 0.000 -0.000 0.133) 0.133 6.413 ( 0.000 0.000 0.133) 0.133 7.573 ( 0.000 0.000 4.629) 4.629 13.045 ( 0.000 -0.000 2.947) 2.947 13.045 ( -0.000 -0.000 2.947) 2.947 15.450 ( 0.000 0.000 -1.564) 1.564 15.450 ( 0.000 0.000 -1.564) 1.564 15.959 ( 0.000 -0.000 0.225) 0.225 16.255 ( 0.000 0.000 -6.040) 6.040 ======================= Grid point 328 (60/116) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -0.793 -0.458 7.236) 7.294 0.785 ( 3.321 1.918 10.394) 11.079 1.062 ( -3.524 -2.035 5.208) 6.609 1.145 ( -3.590 -2.073 -1.468) 4.398 1.283 ( -1.416 -0.817 -0.749) 1.798 1.395 ( 2.755 1.590 12.910) 13.296 1.460 ( 1.942 1.121 2.322) 3.227 1.557 ( 9.853 5.689 3.278) 11.840 1.620 ( 2.363 1.364 11.136) 11.465 1.857 ( 3.680 2.125 0.706) 4.308 1.933 ( 7.735 4.466 0.277) 8.936 2.523 ( -3.932 -2.270 -2.935) 5.406 3.904 ( -1.970 -1.138 -13.644) 13.832 3.980 ( 2.296 1.326 -14.232) 14.477 4.575 ( 2.012 1.161 -3.824) 4.475 6.106 ( -10.394 -6.001 0.121) 12.002 6.369 ( -0.822 -0.475 2.980) 3.127 6.408 ( 3.478 2.008 4.713) 6.192 6.441 ( 1.774 1.024 1.237) 2.393 6.760 ( 15.957 9.213 -5.424) 19.207 7.549 ( -1.862 -1.075 3.855) 4.414 13.034 ( -0.600 -0.346 2.794) 2.878 13.111 ( 5.446 3.144 2.372) 6.721 15.456 ( 0.906 0.523 -1.066) 1.493 15.459 ( 0.318 0.184 -1.489) 1.533 15.948 ( -1.097 -0.634 -0.928) 1.571 16.180 ( -6.400 -3.695 -5.241) 9.060 ======================= Grid point 329 (61/116) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 1.358 0.784 3.003) 3.388 0.856 ( 2.616 1.510 7.778) 8.344 1.015 ( -0.833 -0.481 6.261) 6.334 1.080 ( -1.904 -1.099 0.726) 2.315 1.225 ( -3.189 -1.841 -0.257) 3.692 1.463 ( 3.240 1.870 8.485) 9.273 1.516 ( 2.983 1.722 1.715) 3.848 1.678 ( 2.837 1.638 8.266) 8.892 1.773 ( 8.573 4.950 4.566) 10.901 1.988 ( 7.426 4.288 2.249) 8.865 2.129 ( 8.474 4.893 2.307) 10.054 2.428 ( -3.296 -1.903 -5.306) 6.530 3.855 ( -2.374 -1.371 -13.557) 13.832 4.036 ( 2.599 1.501 -14.456) 14.765 4.637 ( 3.397 1.962 -3.721) 5.407 5.935 ( -5.335 -3.080 1.925) 6.454 6.350 ( -0.850 -0.491 3.139) 3.289 6.481 ( 1.711 0.988 0.947) 2.191 6.528 ( 6.956 4.016 5.065) 9.496 7.062 ( 10.369 5.986 -3.410) 12.449 7.508 ( -1.253 -0.723 0.750) 1.630 13.021 ( -0.580 -0.335 2.325) 2.420 13.271 ( 8.367 4.830 1.071) 9.720 15.463 ( 0.035 0.020 -1.179) 1.179 15.474 ( -0.028 -0.016 0.842) 0.843 15.892 ( -4.846 -2.798 -6.856) 8.849 16.026 ( -5.289 -3.054 -1.271) 6.238 ======================= Grid point 330 (62/116) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 1.282 0.740 0.704) 1.640 0.872 ( -1.353 -0.781 1.197) 1.968 1.000 ( -1.488 -0.859 3.691) 4.071 1.083 ( 2.187 1.263 5.870) 6.390 1.174 ( -0.450 -0.260 0.109) 0.531 1.533 ( 2.972 1.716 3.181) 4.680 1.587 ( 3.283 1.895 1.465) 4.064 1.748 ( 3.466 2.001 6.123) 7.315 1.917 ( 4.199 2.425 8.447) 9.740 2.155 ( 6.999 4.041 3.184) 8.687 2.222 ( -0.065 -0.038 3.048) 3.049 2.459 ( 5.953 3.437 -6.418) 9.404 3.804 ( -2.069 -1.195 -13.761) 13.966 4.088 ( 1.928 1.113 -14.512) 14.681 4.717 ( 3.610 2.084 -3.650) 5.540 5.852 ( -2.482 -1.433 3.012) 4.158 6.331 ( -0.859 -0.496 3.450) 3.590 6.514 ( 1.263 0.729 0.621) 1.585 6.699 ( 8.077 4.664 4.606) 10.402 7.194 ( 1.802 1.040 2.233) 3.052 7.520 ( 2.271 1.311 -3.634) 4.482 13.010 ( -0.365 -0.211 1.738) 1.788 13.455 ( 7.671 4.429 -0.077) 8.858 15.408 ( -6.427 -3.711 3.661) 8.276 15.461 ( -0.246 -0.142 -0.766) 0.817 15.786 ( -2.296 -1.326 -10.910) 11.227 15.969 ( -0.914 -0.528 -0.670) 1.250 ======================= Grid point 331 (63/116) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -0.687 -0.397 0.654) 1.028 0.818 ( -2.996 -1.730 -0.974) 3.593 0.937 ( -3.684 -2.127 -0.205) 4.259 1.151 ( 3.424 1.977 6.490) 7.600 1.210 ( 2.864 1.653 1.156) 3.503 1.599 ( 3.147 1.817 -1.471) 3.920 1.653 ( 2.475 1.429 1.535) 3.244 1.826 ( 3.367 1.944 4.748) 6.137 1.965 ( 0.588 0.339 11.226) 11.246 2.208 ( -0.696 -0.402 1.307) 1.534 2.274 ( 3.385 1.955 3.802) 5.453 2.591 ( 4.660 2.690 -3.921) 6.658 3.771 ( -0.681 -0.393 -14.208) 14.230 4.115 ( 0.454 0.262 -14.274) 14.284 4.787 ( 2.420 1.397 -3.644) 4.592 5.812 ( -1.310 -0.756 3.898) 4.181 6.313 ( -0.759 -0.438 3.692) 3.795 6.535 ( 0.562 0.324 0.479) 0.807 6.870 ( 7.005 4.044 3.139) 8.676 7.190 ( -1.142 -0.659 3.515) 3.755 7.567 ( 1.095 0.632 -2.872) 3.138 13.005 ( -0.037 -0.021 1.254) 1.254 13.585 ( 3.532 2.039 -0.589) 4.120 15.241 ( -6.930 -4.001 3.383) 8.688 15.453 ( -0.407 -0.235 -0.403) 0.620 15.790 ( 1.675 0.967 -9.183) 9.385 15.964 ( 0.291 0.168 -3.010) 3.029 ======================= Grid point 332 (64/116) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -1.041 -0.601 0.353) 1.253 0.752 ( -2.826 -1.632 -0.485) 3.299 0.858 ( -3.080 -1.778 -1.176) 3.746 1.222 ( 2.859 1.651 5.086) 6.063 1.267 ( 1.786 1.031 2.659) 3.365 1.676 ( 3.612 2.085 -4.671) 6.262 1.690 ( 0.702 0.405 1.941) 2.104 1.890 ( 2.225 1.285 3.764) 4.557 1.961 ( -0.740 -0.427 11.701) 11.732 2.182 ( -1.751 -1.011 1.996) 2.841 2.294 ( -1.691 -0.976 4.225) 4.655 2.643 ( -0.201 -0.116 -3.261) 3.270 3.779 ( 1.358 0.784 -14.604) 14.688 4.106 ( -1.209 -0.698 -13.787) 13.858 4.817 ( 0.175 0.101 -3.697) 3.703 5.791 ( -0.599 -0.346 4.321) 4.377 6.300 ( -0.413 -0.238 3.924) 3.953 6.538 ( -0.255 -0.147 0.445) 0.534 6.988 ( 2.765 1.596 1.281) 3.440 7.176 ( 0.679 0.392 3.480) 3.567 7.551 ( -2.586 -1.493 -1.147) 3.199 13.008 ( 0.313 0.181 1.038) 1.100 13.598 ( -2.327 -1.343 -0.172) 2.692 15.148 ( -0.970 -0.560 3.385) 3.565 15.444 ( -0.412 -0.238 -0.215) 0.522 15.835 ( 2.078 1.200 -7.250) 7.637 15.979 ( 0.987 0.570 -5.757) 5.868 ======================= Grid point 334 (65/116) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.335 0.194 0.006) 0.387 0.698 ( -1.972 -1.138 1.039) 2.503 0.816 ( -0.385 -0.222 0.388) 0.590 1.275 ( 1.872 1.081 3.528) 4.138 1.282 ( -0.392 -0.227 3.836) 3.862 1.681 ( -1.514 -0.874 2.541) 3.084 1.731 ( 0.477 0.275 -3.673) 3.714 1.919 ( 0.249 0.144 3.573) 3.584 1.929 ( -2.478 -1.431 10.986) 11.353 2.148 ( -0.448 -0.259 1.598) 1.680 2.206 ( -5.865 -3.386 4.106) 7.920 2.581 ( -5.153 -2.975 -3.692) 7.003 3.826 ( 2.717 1.569 -14.744) 15.074 4.065 ( -2.348 -1.355 -13.255) 13.529 4.793 ( -2.221 -1.282 -3.759) 4.551 5.788 ( 0.393 0.227 4.135) 4.159 6.296 ( 0.118 0.068 4.194) 4.196 6.524 ( -0.985 -0.569 0.412) 1.210 6.965 ( -4.329 -2.500 1.251) 5.153 7.241 ( 4.513 2.606 3.123) 6.076 7.457 ( -5.732 -3.309 -1.548) 6.797 13.019 ( 0.576 0.333 1.164) 1.341 13.497 ( -6.229 -3.596 0.947) 7.255 15.193 ( 4.508 2.602 3.912) 6.511 15.436 ( -0.283 -0.164 -0.266) 0.422 15.877 ( 1.721 0.994 -6.069) 6.386 16.003 ( 1.166 0.673 -7.819) 7.934 ======================= Grid point 335 (66/116) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -0.842 -0.486 3.197) 3.342 0.720 ( 1.591 0.919 1.799) 2.571 0.842 ( 2.394 1.382 2.657) 3.834 1.259 ( -1.265 -0.730 3.498) 3.791 1.305 ( 0.850 0.491 1.946) 2.180 1.625 ( -3.434 -1.982 3.139) 5.057 1.678 ( -4.997 -2.885 2.563) 6.313 1.836 ( -5.720 -3.303 6.891) 9.545 1.891 ( -3.079 -1.778 6.066) 7.031 2.059 ( -6.573 -3.795 2.088) 7.871 2.170 ( 0.796 0.459 2.580) 2.738 2.443 ( -5.681 -3.280 -5.845) 8.787 3.889 ( 2.668 1.541 -14.726) 15.045 4.009 ( -2.596 -1.499 -12.952) 13.294 4.725 ( -3.694 -2.133 -3.783) 5.701 5.815 ( 2.282 1.318 3.543) 4.416 6.305 ( 0.652 0.377 4.432) 4.495 6.497 ( -1.441 -0.832 0.346) 1.699 6.824 ( -7.927 -4.577 1.988) 9.367 7.281 ( -7.228 -4.173 0.739) 8.379 7.368 ( 3.643 2.103 -1.059) 4.338 13.032 ( 0.631 0.365 1.596) 1.755 13.346 ( -7.033 -4.060 1.975) 8.358 15.320 ( 6.266 3.618 4.247) 8.389 15.432 ( -0.065 -0.038 -0.549) 0.554 15.909 ( 1.092 0.630 -5.935) 6.067 16.034 ( 1.789 1.033 -7.787) 8.056 ======================= Grid point 336 (67/116) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 0.276 0.160 5.619) 5.628 0.760 ( 1.601 0.924 5.982) 6.261 0.905 ( 3.277 1.892 4.263) 5.700 1.244 ( 0.107 0.062 1.502) 1.507 1.314 ( -0.130 -0.075 0.130) 0.199 1.533 ( -7.399 -4.272 8.262) 11.885 1.537 ( -4.151 -2.397 3.776) 6.102 1.691 ( -7.202 -4.158 3.436) 8.998 1.774 ( -6.781 -3.915 10.276) 12.920 1.946 ( -3.732 -2.155 -0.678) 4.362 2.078 ( -8.346 -4.819 2.346) 9.918 2.428 ( 3.709 2.141 -5.247) 6.773 3.937 ( 1.524 0.880 -14.603) 14.708 3.957 ( -1.891 -1.092 -13.053) 13.234 4.641 ( -3.597 -2.077 -3.787) 5.621 5.902 ( 5.843 3.374 2.635) 7.244 6.324 ( 1.102 0.636 4.512) 4.688 6.463 ( -1.545 -0.892 0.288) 1.807 6.636 ( -8.512 -4.914 2.772) 10.212 7.056 ( -12.231 -7.062 -4.588) 14.850 7.468 ( 4.306 2.486 2.690) 5.653 13.045 ( 0.420 0.243 2.188) 2.241 13.198 ( -6.033 -3.483 2.473) 7.392 15.433 ( 0.193 0.111 -0.970) 0.995 15.436 ( 3.454 1.994 2.426) 4.668 15.929 ( 0.905 0.522 -4.243) 4.370 16.094 ( 3.817 2.204 -6.563) 7.906 ======================= Grid point 337 (68/116) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 1.335 0.771 7.968) 8.116 0.767 ( -1.213 -0.701 9.893) 9.992 1.007 ( 6.365 3.675 3.633) 8.199 1.249 ( -0.568 -0.328 -0.927) 1.135 1.294 ( -1.829 -1.056 -1.823) 2.789 1.393 ( -3.992 -2.305 12.930) 13.727 1.457 ( -2.591 -1.496 4.407) 5.327 1.529 ( -6.813 -3.934 3.043) 8.435 1.638 ( -4.619 -2.667 11.690) 12.850 1.875 ( -2.792 -1.612 -0.295) 3.237 1.898 ( -6.474 -3.738 0.723) 7.510 2.524 ( 3.833 2.213 -3.026) 5.361 3.931 ( -0.422 -0.244 -13.487) 13.496 3.954 ( 0.016 0.009 -14.318) 14.318 4.576 ( -2.101 -1.213 -3.834) 4.537 6.088 ( 11.174 6.451 0.752) 12.924 6.353 ( 1.406 0.812 4.440) 4.727 6.431 ( -1.306 -0.754 0.224) 1.524 6.469 ( -6.018 -3.475 3.399) 7.736 6.746 ( -15.478 -8.936 -5.416) 18.675 7.545 ( 2.460 1.420 4.080) 4.972 13.050 ( 0.020 0.012 2.711) 2.711 13.087 ( -3.773 -2.178 2.729) 5.140 15.440 ( 0.404 0.233 -1.364) 1.442 15.465 ( -0.357 -0.206 -0.714) 0.825 15.950 ( 0.801 0.462 -0.917) 1.302 16.195 ( 4.563 2.635 -5.923) 7.928 ======================= Grid point 339 (69/116) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.941 -0.042 4.813) 4.905 0.803 ( 3.354 -0.627 8.552) 9.207 0.955 ( 0.928 -5.079 4.359) 6.757 1.196 ( -5.332 2.097 0.860) 5.794 1.274 ( -3.523 0.864 -0.591) 3.676 1.439 ( 1.031 3.937 9.047) 9.920 1.530 ( 1.495 5.503 3.886) 6.901 1.672 ( 4.831 5.782 5.308) 9.216 1.712 ( 2.895 7.635 8.282) 11.630 1.929 ( 3.791 4.322 0.230) 5.754 2.056 ( 7.065 8.096 1.829) 10.900 2.451 ( -2.671 -4.499 -4.369) 6.816 3.896 ( -2.951 0.174 -13.635) 13.952 3.995 ( 3.104 0.319 -14.192) 14.531 4.619 ( 1.745 3.294 -3.772) 5.303 5.954 ( -2.808 -7.538 1.963) 8.280 6.368 ( 2.401 -1.375 4.461) 5.249 6.415 ( -1.361 2.019 1.030) 2.643 6.562 ( 1.358 8.627 2.933) 9.212 6.987 ( 7.902 12.441 -4.896) 15.530 7.505 ( -0.718 -3.460 2.513) 4.336 13.039 ( -0.924 0.614 2.395) 2.639 13.189 ( 5.895 4.792 2.014) 7.859 15.449 ( 1.151 -0.538 -1.226) 1.766 15.461 ( 0.143 -1.409 0.878) 1.667 15.928 ( -1.656 -1.249 -3.927) 4.441 16.089 ( -5.690 -4.744 -4.574) 8.707 ======================= Grid point 340 (70/116) ======================= q-point: ( 0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 1.816 1.032 0.957) 2.297 0.847 ( 2.650 -2.095 4.307) 5.474 0.934 ( 2.024 -4.537 5.105) 7.123 1.152 ( -2.224 3.253 3.367) 5.183 1.216 ( -4.613 1.927 -0.625) 5.038 1.506 ( 2.160 3.823 5.925) 7.374 1.600 ( 0.618 5.441 1.477) 5.672 1.752 ( 0.868 5.523 7.212) 9.125 1.870 ( 5.527 5.390 6.731) 10.242 2.066 ( 7.034 3.283 1.480) 7.902 2.210 ( 2.704 2.119 4.703) 5.824 2.411 ( 2.460 1.464 -7.179) 7.729 3.847 ( -3.123 0.561 -13.740) 14.102 4.049 ( 3.061 -0.037 -14.310) 14.634 4.691 ( 2.698 3.440 -3.705) 5.731 5.865 ( -1.668 -3.481 2.837) 4.791 6.366 ( -1.918 1.395 3.369) 4.121 6.453 ( 4.061 -1.135 1.842) 4.601 6.683 ( 2.882 9.212 3.337) 10.213 7.178 ( 3.460 5.396 0.028) 6.411 7.481 ( 1.923 -1.849 -1.864) 3.255 13.033 ( -1.097 1.645 1.852) 2.709 13.351 ( 8.203 3.290 0.840) 8.878 15.408 ( -1.846 -5.839 2.877) 6.766 15.479 ( 1.012 0.807 -0.815) 1.530 15.852 ( -5.742 -0.765 -10.718) 12.183 15.982 ( -2.261 -1.777 -0.255) 2.887 ======================= Grid point 341 (71/116) ======================= q-point: ( 0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.355 0.081 -0.082) 0.373 0.827 ( -1.529 -3.123 -0.036) 3.478 0.932 ( 1.811 -3.894 4.491) 6.214 1.171 ( -3.327 4.376 1.874) 5.808 1.198 ( 2.802 3.220 1.746) 4.612 1.571 ( 1.703 2.447 1.532) 3.352 1.658 ( 0.744 4.580 0.713) 4.695 1.821 ( 1.420 4.696 5.949) 7.711 1.971 ( 1.084 3.897 9.910) 10.703 2.165 ( 3.085 -2.659 1.173) 4.238 2.252 ( 3.027 2.961 3.286) 5.360 2.525 ( 5.626 2.783 -4.412) 7.672 3.809 ( -2.628 1.705 -14.013) 14.359 4.090 ( 2.131 -0.838 -14.298) 14.480 4.765 ( 2.429 2.752 -3.688) 5.203 5.822 ( -0.940 -1.446 3.685) 4.069 6.347 ( -2.208 1.752 3.463) 4.465 6.502 ( 2.945 -1.094 1.308) 3.403 6.826 ( 4.424 7.218 3.002) 8.983 7.212 ( -1.359 0.994 3.434) 3.825 7.526 ( 3.532 -0.796 -3.537) 5.061 13.034 ( -1.401 2.749 1.350) 3.368 13.500 ( 7.055 0.039 -0.075) 7.056 15.283 ( -4.662 -7.238 3.679) 9.363 15.493 ( -1.433 2.683 -1.096) 3.233 15.787 ( -1.280 0.593 -10.418) 10.514 15.955 ( 0.042 -1.022 -1.462) 1.784 ======================= Grid point 342 (72/116) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -1.114 -0.469 -0.089) 1.212 0.767 ( -1.829 -2.505 -0.022) 3.102 0.902 ( -2.010 -1.858 0.916) 2.887 1.175 ( 0.358 1.495 3.091) 3.452 1.287 ( 2.066 4.712 1.887) 5.480 1.619 ( 3.418 -0.084 -3.225) 4.700 1.709 ( -0.144 4.346 1.761) 4.692 1.881 ( 1.389 2.456 5.794) 6.445 1.996 ( -1.941 3.772 9.636) 10.529 2.168 ( 1.159 -3.061 2.001) 3.836 2.313 ( 0.109 1.653 3.842) 4.184 2.610 ( 3.179 -0.980 -3.329) 4.706 3.799 ( -1.266 3.098 -14.366) 14.750 4.100 ( 0.554 -1.743 -14.018) 14.137 4.815 ( 0.883 1.447 -3.730) 4.097 5.800 ( -0.721 -0.424 4.332) 4.412 6.329 ( -1.981 1.890 3.690) 4.594 6.527 ( 1.200 -0.874 0.995) 1.787 6.952 ( 3.832 3.584 1.610) 5.488 7.195 ( -1.441 1.577 3.387) 4.005 7.548 ( 0.635 -2.576 -1.615) 3.106 13.039 ( -1.610 3.556 1.028) 4.036 13.568 ( 2.862 -3.713 -0.251) 4.695 15.161 ( -2.637 -3.558 3.308) 5.527 15.486 ( -2.664 3.246 -1.118) 4.346 15.805 ( 2.211 0.314 -8.487) 8.775 15.955 ( 1.130 -1.109 -3.524) 3.863 ======================= Grid point 343 (73/116) ======================= q-point: (-0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -0.657 0.103 -0.417) 0.785 0.731 ( -1.242 0.410 1.369) 1.893 0.844 ( -2.936 -0.364 -0.337) 2.978 1.199 ( 1.984 -1.285 3.854) 4.521 1.336 ( -0.612 2.920 2.397) 3.827 1.684 ( 4.242 -1.360 -5.216) 6.859 1.725 ( -2.492 3.129 2.686) 4.818 1.911 ( 0.792 -0.080 7.795) 7.835 1.984 ( -3.396 2.930 6.221) 7.669 2.152 ( -0.238 -0.937 3.112) 3.259 2.272 ( -4.898 -1.553 4.023) 6.526 2.608 ( -1.117 -3.131 -3.226) 4.632 3.825 ( 0.365 3.582 -14.644) 15.080 4.077 ( -0.950 -2.241 -13.534) 13.751 4.818 ( -1.413 0.017 -3.781) 4.037 5.790 ( -0.282 0.220 4.411) 4.425 6.319 ( -1.454 2.156 3.941) 4.722 6.526 ( -0.155 -1.196 0.875) 1.490 6.993 ( -0.978 -1.061 0.904) 1.703 7.218 ( 1.511 3.729 2.973) 5.003 7.497 ( -2.842 -3.727 -0.835) 4.761 13.047 ( -1.637 3.679 0.943) 4.136 13.526 ( -2.062 -5.505 0.452) 5.896 15.146 ( 2.659 0.294 3.510) 4.413 15.471 ( -2.515 2.783 -0.942) 3.868 15.850 ( 2.527 0.295 -7.410) 7.835 15.968 ( 1.932 -1.683 -5.418) 5.993 ======================= Grid point 344 (74/116) ======================= q-point: (-0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -0.815 0.877 -0.856) 1.472 0.727 ( -1.126 3.504 3.685) 5.208 0.824 ( 0.862 0.785 1.163) 1.646 1.210 ( 1.804 -2.958 3.904) 5.219 1.332 ( -1.354 0.397 1.740) 2.240 1.671 ( -4.034 -1.943 2.442) 5.101 1.708 ( -1.256 -1.027 -0.417) 1.675 1.886 ( -2.975 -2.336 9.298) 10.038 1.953 ( -3.549 2.652 3.679) 5.758 2.139 ( -7.209 -3.289 2.178) 8.218 2.162 ( 1.141 1.675 3.463) 4.012 2.516 ( -5.827 -3.122 -4.125) 7.792 3.870 ( 1.372 2.172 -14.744) 14.966 4.033 ( -1.788 -1.466 -13.142) 13.343 4.771 ( -3.470 -0.925 -3.790) 5.221 5.799 ( 0.928 0.825 3.940) 4.131 6.323 ( -0.848 2.605 4.189) 5.005 6.501 ( -0.904 -1.966 0.808) 2.310 6.907 ( -6.266 -3.194 1.540) 7.200 7.291 ( 2.400 1.069 4.315) 5.052 7.399 ( -4.685 -1.083 -3.682) 6.056 13.053 ( -1.398 2.675 1.143) 3.227 13.415 ( -5.216 -3.951 1.453) 6.703 15.240 ( 6.525 2.164 4.093) 8.001 15.458 ( -1.904 2.178 -0.876) 3.023 15.888 ( 1.846 -0.081 -7.522) 7.746 15.986 ( 2.592 -2.251 -5.920) 6.844 ======================= Grid point 345 (75/116) ======================= q-point: (-0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -1.942 1.373 2.030) 3.127 0.766 ( 0.688 4.027 4.855) 6.345 0.876 ( 2.836 2.247 3.574) 5.086 1.207 ( 1.498 -3.019 3.026) 4.529 1.307 ( -0.506 -2.425 0.106) 2.480 1.554 ( -5.448 -4.601 5.798) 9.190 1.639 ( -5.116 -1.464 2.641) 5.941 1.788 ( -6.053 -1.447 6.312) 8.864 1.867 ( -7.770 -1.506 8.102) 11.326 2.012 ( -5.655 0.186 -0.672) 5.698 2.184 ( -3.426 1.126 4.490) 5.759 2.405 ( -2.055 -0.739 -6.818) 7.160 3.898 ( 1.354 -1.479 -14.266) 14.406 4.001 ( -1.797 1.525 -13.495) 13.699 4.694 ( -4.358 -0.968 -3.766) 5.841 5.845 ( 3.533 1.550 3.162) 4.988 6.340 ( -0.375 3.170 4.356) 5.400 6.461 ( -1.071 -2.862 0.794) 3.158 6.742 ( -8.917 -3.759 2.408) 9.972 7.201 ( -9.133 -3.025 -1.362) 9.717 7.425 ( 3.308 3.191 0.062) 4.597 13.050 ( -0.810 0.551 1.685) 1.949 13.293 ( -6.737 -0.292 1.971) 7.025 15.376 ( 6.249 2.176 3.700) 7.581 15.451 ( -1.183 1.741 -0.926) 2.300 15.909 ( 1.469 -0.998 -7.642) 7.845 16.019 ( 4.185 -2.238 -4.716) 6.690 ======================= Grid point 350 (76/116) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 1.068 -0.043 -1.048) 1.497 0.808 ( 2.785 -1.062 3.184) 4.361 0.850 ( 1.191 -4.087 3.648) 5.606 1.181 ( 0.697 1.064 2.510) 2.814 1.284 ( -3.717 3.753 0.465) 5.303 1.603 ( -1.106 4.921 2.721) 5.731 1.695 ( 0.842 4.404 0.829) 4.560 1.850 ( 0.394 3.832 7.840) 8.735 1.991 ( 3.698 6.193 6.919) 9.995 2.103 ( 1.911 1.406 1.125) 2.626 2.211 ( 3.123 -0.385 2.925) 4.296 2.485 ( 2.958 4.621 -4.273) 6.954 3.870 ( -1.947 1.455 -14.243) 14.449 4.040 ( 2.234 -0.670 -13.796) 13.992 4.760 ( 1.838 3.544 -3.768) 5.490 5.815 ( -0.121 -1.666 3.754) 4.109 6.378 ( 1.774 -0.188 3.826) 4.221 6.459 ( -0.140 1.597 1.549) 2.230 6.852 ( 1.698 7.796 2.024) 8.231 7.257 ( -1.733 2.766 3.511) 4.794 7.447 ( 4.200 -1.443 -3.611) 5.724 13.078 ( 0.465 2.781 1.152) 3.046 13.397 ( 4.479 1.719 1.066) 4.915 15.273 ( -2.788 -7.287 3.970) 8.754 15.501 ( 2.751 1.469 -1.596) 3.503 15.851 ( -4.633 -0.012 -11.621) 12.511 15.951 ( -1.427 -1.407 -0.598) 2.091 ======================= Grid point 351 (77/116) ======================= q-point: ( 0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 0.181 -0.762 -1.280) 1.501 0.786 ( -2.547 -0.930 1.126) 2.935 0.859 ( 2.684 -3.543 4.703) 6.471 1.242 ( -0.219 3.948 -1.249) 4.147 1.274 ( 1.143 3.545 2.412) 4.437 1.592 ( -1.380 -1.153 -2.799) 3.326 1.765 ( 0.572 6.610 2.550) 7.107 1.883 ( 0.540 1.529 7.625) 7.795 2.093 ( 0.986 6.663 7.905) 10.385 2.097 ( -0.346 -2.418 2.176) 3.271 2.301 ( 4.230 2.106 2.245) 5.231 2.547 ( 2.098 -0.822 -2.967) 3.726 3.863 ( -1.804 3.696 -14.215) 14.798 4.059 ( 1.657 -2.240 -13.981) 14.256 4.815 ( 1.222 2.260 -3.831) 4.613 5.803 ( -0.183 -0.486 4.421) 4.451 6.387 ( -1.611 2.227 3.398) 4.371 6.485 ( 2.160 -0.669 1.995) 3.015 6.941 ( 1.923 4.184 1.204) 4.760 7.247 ( -1.896 3.010 3.292) 4.847 7.489 ( 2.719 -3.016 -1.893) 4.480 13.113 ( -1.151 5.371 0.893) 5.565 13.460 ( 4.101 -3.861 0.338) 5.643 15.163 ( -2.585 -4.893 3.412) 6.501 15.556 ( 0.158 3.780 -2.617) 4.600 15.788 ( -1.555 -0.840 -9.666) 9.826 15.930 ( 0.202 -1.399 -1.343) 1.950 ======================= Grid point 352 (78/116) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -0.852 0.389 -0.821) 1.245 0.746 ( -0.768 0.308 1.610) 1.810 0.854 ( 0.483 -2.944 2.969) 4.209 1.229 ( -3.746 3.983 0.910) 5.543 1.352 ( 1.438 1.682 1.160) 2.498 1.583 ( 4.031 -3.412 -5.564) 7.671 1.816 ( -2.542 6.194 2.921) 7.305 1.898 ( 0.529 -0.031 7.754) 7.772 2.057 ( -1.604 -1.967 3.098) 4.004 2.157 ( -0.225 5.207 7.375) 9.031 2.334 ( -2.843 0.625 2.515) 3.847 2.556 ( 2.637 -4.107 -2.915) 5.686 3.877 ( -1.552 4.553 -14.331) 15.117 4.052 ( 0.743 -3.041 -13.827) 14.177 4.838 ( -0.421 0.863 -3.892) 4.009 5.797 ( -0.307 0.109 4.746) 4.757 6.378 ( -2.278 3.038 3.514) 5.174 6.504 ( 1.183 -1.645 1.898) 2.776 6.987 ( 0.747 0.278 0.563) 0.976 7.260 ( -1.232 4.798 2.482) 5.541 7.477 ( 0.486 -4.465 -0.313) 4.502 13.136 ( -3.001 6.207 0.755) 6.936 13.461 ( 2.382 -6.688 0.334) 7.108 15.113 ( 0.548 -1.461 3.154) 3.518 15.564 ( -3.799 4.557 -3.038) 6.665 15.793 ( 3.250 -1.814 -8.696) 9.459 15.926 ( 0.912 -1.565 -1.943) 2.657 ======================= Grid point 354 (79/116) ======================= q-point: (-0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -0.098 0.675 -1.061) 1.261 0.774 ( 1.058 3.686 3.429) 5.144 0.826 ( -0.800 -1.542 1.363) 2.208 1.204 ( -2.623 1.938 1.803) 3.727 1.343 ( -1.238 -2.280 1.195) 2.857 1.635 ( 3.843 -3.123 -4.381) 6.612 1.782 ( -5.654 1.599 3.514) 6.846 1.896 ( -0.676 -0.984 8.773) 8.854 2.029 ( -1.301 2.037 1.563) 2.878 2.177 ( -2.145 0.480 9.938) 10.178 2.238 ( -6.366 0.264 -0.770) 6.418 2.548 ( -0.654 -2.218 -2.855) 3.674 3.888 ( -1.172 1.781 -14.573) 14.728 4.036 ( 0.071 -1.058 -13.504) 13.545 4.817 ( -2.461 -0.087 -3.863) 4.581 5.797 ( 0.107 0.453 4.469) 4.493 6.374 ( -1.705 3.059 3.718) 5.108 6.492 ( -0.332 -2.145 1.710) 2.763 6.963 ( -3.111 -1.629 0.922) 3.631 7.281 ( -0.354 1.134 3.123) 3.341 7.441 ( -0.984 -0.559 -1.604) 1.963 13.125 ( -3.749 3.069 0.711) 4.897 13.428 ( -0.235 -3.043 0.891) 3.180 15.155 ( 4.846 0.563 3.509) 6.009 15.534 ( -3.904 3.118 -2.378) 5.534 15.834 ( 3.398 -2.320 -10.104) 10.909 15.931 ( 1.439 -1.280 -1.502) 2.443 ======================= Grid point 362 (80/116) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 0.841 1.221 -0.571) 1.588 0.766 ( -0.870 -1.775 0.316) 2.002 0.813 ( -0.214 -0.874 5.373) 5.448 1.311 ( 5.627 2.251 0.337) 6.070 1.336 ( -2.614 3.167 0.989) 4.224 1.529 ( -3.094 -4.281 -6.513) 8.386 1.887 ( 1.866 3.468 5.248) 6.561 1.902 ( 0.630 2.530 5.633) 6.207 2.015 ( -0.991 -4.018 2.399) 4.783 2.226 ( 0.500 3.316 11.433) 11.914 2.356 ( 4.294 4.641 -1.674) 6.541 2.494 ( -2.832 -4.222 -2.322) 5.589 3.935 ( 1.192 3.228 -14.193) 14.604 4.010 ( -0.794 -2.509 -13.890) 14.137 4.846 ( 0.470 0.850 -3.968) 4.085 5.800 ( 0.072 0.013 4.909) 4.909 6.426 ( 1.386 1.695 3.203) 3.880 6.472 ( -0.807 -0.828 2.539) 2.790 6.984 ( 0.158 0.658 0.369) 0.771 7.323 ( 1.197 4.045 1.981) 4.661 7.420 ( -0.780 -3.546 0.114) 3.632 13.226 ( 2.707 5.570 0.585) 6.221 13.369 ( -2.066 -4.886 0.545) 5.332 15.101 ( -0.864 -1.620 3.042) 3.553 15.634 ( 3.228 4.055 -4.742) 7.025 15.746 ( -3.099 -3.267 -8.036) 9.212 15.910 ( -0.254 -0.526 -1.008) 1.165 ======================= Grid point 436 (81/116) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.000 0.000 6.134) 6.134 0.889 ( 0.000 0.000 6.134) 6.134 1.183 ( 0.000 -0.000 -2.287) 2.287 1.183 ( 0.000 0.000 -2.287) 2.287 1.203 ( 0.000 -0.000 2.040) 2.040 1.541 ( 0.000 -0.000 6.007) 6.007 1.541 ( 0.000 0.000 6.007) 6.007 1.622 ( 0.000 0.000 9.103) 9.103 1.795 ( 0.000 -0.000 7.184) 7.184 1.818 ( 0.000 -0.000 -1.316) 1.316 1.818 ( -0.000 0.000 -1.316) 1.316 2.519 ( 0.000 -0.000 -2.173) 2.173 3.683 ( 0.000 -0.000 -9.663) 9.663 3.683 ( 0.000 -0.000 -9.663) 9.663 4.481 ( 0.000 0.000 -2.638) 2.638 6.291 ( 0.000 0.000 -2.831) 2.831 6.412 ( 0.000 -0.000 0.042) 0.042 6.412 ( 0.000 0.000 0.042) 0.042 6.453 ( 0.000 0.000 2.390) 2.390 6.453 ( -0.000 0.000 2.390) 2.390 7.640 ( 0.000 0.000 1.980) 1.980 13.097 ( 0.000 -0.000 1.839) 1.839 13.097 ( -0.000 0.000 1.839) 1.839 15.422 ( 0.000 0.000 -0.999) 0.999 15.422 ( 0.000 -0.000 -0.999) 0.999 15.979 ( 0.000 -0.000 1.757) 1.757 16.134 ( 0.000 0.000 -5.334) 5.334 ======================= Grid point 437 (82/116) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -3.547 -2.048 5.193) 6.614 0.937 ( 0.832 0.480 3.200) 3.341 1.137 ( -0.611 -0.353 1.190) 1.383 1.154 ( -1.369 -0.790 3.008) 3.398 1.261 ( 0.382 0.221 -1.077) 1.164 1.551 ( 1.397 0.807 5.968) 6.182 1.612 ( 0.145 0.084 7.203) 7.205 1.648 ( 7.942 4.586 5.096) 10.492 1.788 ( -0.197 -0.114 3.590) 3.597 1.880 ( 5.501 3.176 2.223) 6.729 1.911 ( 7.300 4.215 -2.273) 8.731 2.477 ( -3.555 -2.052 -1.436) 4.348 3.657 ( -1.643 -0.949 -9.069) 9.265 3.715 ( 2.060 1.189 -10.164) 10.438 4.505 ( 2.108 1.217 -2.590) 3.554 6.101 ( -8.514 -4.915 -0.414) 9.839 6.405 ( -0.263 -0.152 0.820) 0.874 6.473 ( 0.999 0.577 1.289) 1.729 6.492 ( 4.186 2.417 3.147) 5.768 6.680 ( 14.743 8.512 -2.507) 17.207 7.608 ( -2.777 -1.603 1.756) 3.656 13.085 ( -0.808 -0.467 1.909) 2.124 13.150 ( 4.430 2.558 1.242) 5.264 15.430 ( 0.411 0.238 -1.149) 1.243 15.435 ( 1.415 0.817 -0.724) 1.787 15.942 ( -3.872 -2.236 0.354) 4.486 16.082 ( -3.893 -2.248 -3.903) 5.953 ======================= Grid point 438 (83/116) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -1.781 -1.028 2.727) 3.415 0.916 ( -2.325 -1.342 -1.182) 2.933 1.122 ( -2.325 -1.342 2.655) 3.776 1.162 ( 2.420 1.397 5.590) 6.249 1.233 ( -1.700 -0.982 1.749) 2.629 1.599 ( 2.749 1.587 6.080) 6.859 1.600 ( -0.678 -0.392 4.573) 4.640 1.799 ( 1.267 0.731 3.031) 3.365 1.869 ( 10.352 5.977 4.552) 12.791 2.035 ( 7.921 4.573 1.904) 9.343 2.113 ( 10.196 5.887 -3.919) 12.409 2.381 ( -4.616 -2.665 0.408) 5.346 3.612 ( -2.376 -1.372 -8.770) 9.190 3.768 ( 2.562 1.479 -10.300) 10.716 4.570 ( 3.524 2.035 -2.461) 4.756 5.958 ( -4.430 -2.558 0.467) 5.137 6.398 ( -0.358 -0.206 1.540) 1.595 6.496 ( 1.136 0.656 0.378) 1.365 6.623 ( 7.143 4.124 3.770) 9.069 6.996 ( 13.054 7.537 -2.510) 15.281 7.529 ( -3.961 -2.287 0.789) 4.641 13.064 ( -1.024 -0.591 1.687) 2.060 13.282 ( 7.025 4.056 0.005) 8.112 15.439 ( 0.330 0.190 -1.049) 1.116 15.478 ( 2.182 1.260 -0.121) 2.522 15.784 ( -9.775 -5.644 -3.150) 11.719 16.007 ( -2.603 -1.503 -0.672) 3.080 ======================= Grid point 439 (84/116) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 0.240 0.139 0.368) 0.461 0.854 ( -2.988 -1.725 -2.063) 4.021 1.031 ( -5.485 -3.167 -0.878) 6.394 1.216 ( 0.070 0.040 4.013) 4.014 1.221 ( 2.587 1.494 5.837) 6.557 1.590 ( -0.130 -0.075 2.038) 2.044 1.666 ( 3.176 1.833 6.041) 7.067 1.841 ( 2.343 1.353 2.397) 3.615 2.071 ( 7.250 4.186 6.663) 10.699 2.210 ( 7.389 4.266 1.691) 8.698 2.290 ( -2.544 -1.469 -0.328) 2.956 2.337 ( 8.799 5.080 -2.642) 10.498 3.556 ( -2.505 -1.446 -8.971) 9.426 3.822 ( 2.110 1.218 -10.148) 10.436 4.652 ( 3.691 2.131 -2.328) 4.856 5.893 ( -1.728 -0.998 0.993) 2.229 6.388 ( -0.562 -0.324 1.941) 2.046 6.521 ( 1.033 0.596 -0.027) 1.193 6.788 ( 7.332 4.233 3.669) 9.228 7.219 ( 5.758 3.325 0.386) 6.660 7.465 ( -0.477 -0.275 -1.814) 1.896 13.042 ( -0.857 -0.495 1.283) 1.620 13.441 ( 6.818 3.937 -1.147) 7.956 15.444 ( 0.124 0.072 -0.759) 0.773 15.478 ( -6.093 -3.518 3.341) 7.789 15.598 ( -2.324 -1.342 -6.976) 7.475 15.960 ( -1.738 -1.003 -0.305) 2.030 ======================= Grid point 440 (85/116) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -0.203 -0.117 0.132) 0.269 0.791 ( -2.585 -1.492 -1.515) 3.347 0.907 ( -5.057 -2.920 -2.405) 6.316 1.233 ( 1.534 0.885 1.781) 2.511 1.272 ( 1.991 1.150 4.502) 5.055 1.597 ( 0.745 0.430 0.697) 1.107 1.732 ( 2.524 1.457 5.737) 6.435 1.894 ( 2.224 1.284 1.439) 2.944 2.163 ( 0.898 0.519 7.531) 7.602 2.269 ( 0.928 0.536 3.420) 3.584 2.342 ( 4.059 2.343 2.234) 5.192 2.501 ( 5.338 3.082 -4.408) 7.577 3.510 ( -1.380 -0.797 -9.727) 9.857 3.856 ( 0.884 0.511 -9.747) 9.800 4.723 ( 2.412 1.393 -2.273) 3.595 5.869 ( -0.664 -0.383 1.585) 1.761 6.375 ( -0.542 -0.313 2.154) 2.244 6.539 ( 0.551 0.318 -0.054) 0.638 6.932 ( 5.364 3.097 2.634) 6.730 7.245 ( -1.365 -0.788 1.739) 2.347 7.515 ( 2.940 1.698 -2.113) 3.999 13.028 ( -0.396 -0.229 0.867) 0.981 13.562 ( 3.669 2.118 -1.402) 4.463 15.294 ( -7.207 -4.161 1.628) 8.480 15.444 ( -0.096 -0.056 -0.402) 0.417 15.627 ( 2.267 1.309 -5.362) 5.967 15.930 ( -0.916 -0.529 -0.825) 1.342 ======================= Grid point 441 (86/116) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -1.189 -0.686 0.996) 1.696 0.744 ( -1.557 -0.899 -0.241) 1.814 0.827 ( -1.859 -1.073 -1.631) 2.695 1.282 ( 2.545 1.469 -0.675) 3.015 1.309 ( 1.295 0.748 2.883) 3.248 1.619 ( 1.216 0.702 -0.880) 1.657 1.772 ( 1.014 0.585 5.496) 5.619 1.931 ( 1.032 0.596 0.043) 1.192 2.157 ( -0.757 -0.437 6.605) 6.663 2.279 ( -0.737 -0.425 6.318) 6.375 2.376 ( -1.104 -0.638 3.205) 3.450 2.562 ( -0.041 -0.024 -4.324) 4.324 3.504 ( 0.887 0.512 -10.630) 10.679 3.859 ( -0.638 -0.368 -9.145) 9.174 4.752 ( 0.095 0.055 -2.327) 2.330 5.858 ( -0.388 -0.224 2.085) 2.133 6.367 ( -0.170 -0.098 2.368) 2.376 6.544 ( -0.207 -0.119 0.065) 0.247 7.013 ( 1.483 0.856 0.957) 1.962 7.224 ( 0.266 0.153 1.294) 1.329 7.537 ( -1.358 -0.784 -0.326) 1.602 13.026 ( 0.203 0.117 0.587) 0.632 13.590 ( -1.263 -0.729 -0.504) 1.543 15.204 ( -0.534 -0.308 1.890) 1.988 15.440 ( -0.262 -0.151 -0.103) 0.319 15.672 ( 1.646 0.950 -6.366) 6.643 15.921 ( 0.081 0.047 -1.223) 1.226 ======================= Grid point 443 (87/116) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.274 0.158 0.905) 0.959 0.725 ( -0.194 -0.112 1.484) 1.501 0.831 ( 2.238 1.292 1.032) 2.782 1.324 ( 0.854 0.493 -0.107) 0.992 1.328 ( 0.429 0.248 1.401) 1.486 1.649 ( 1.404 0.810 -3.067) 3.469 1.772 ( -1.038 -0.599 5.600) 5.727 1.938 ( -0.338 -0.195 -1.556) 1.605 2.118 ( -3.736 -2.157 7.608) 8.746 2.251 ( -0.567 -0.327 5.900) 5.936 2.297 ( -5.672 -3.275 4.014) 7.681 2.499 ( -5.536 -3.196 -4.065) 7.576 3.545 ( 2.619 1.512 -11.086) 11.491 3.830 ( -1.896 -1.094 -8.545) 8.821 4.726 ( -2.304 -1.330 -2.438) 3.608 5.854 ( 0.121 0.070 2.204) 2.208 6.369 ( 0.349 0.202 2.590) 2.621 6.530 ( -0.955 -0.551 0.201) 1.121 6.983 ( -3.988 -2.302 0.313) 4.615 7.271 ( 3.560 2.055 0.259) 4.118 7.454 ( -5.859 -3.383 0.832) 6.816 13.037 ( 0.749 0.433 0.525) 1.012 13.515 ( -5.105 -2.948 0.794) 5.948 15.264 ( 5.334 3.079 2.769) 6.753 15.433 ( -0.347 -0.200 0.043) 0.403 15.698 ( 0.768 0.443 -8.160) 8.208 15.934 ( 1.123 0.648 -1.163) 1.741 ======================= Grid point 444 (88/116) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 1.086 0.627 3.292) 3.523 0.739 ( 2.579 1.489 0.285) 2.992 0.917 ( 5.097 2.943 3.952) 7.089 1.315 ( -1.478 -0.853 1.350) 2.176 1.326 ( -0.623 -0.360 0.036) 0.720 1.671 ( 0.208 0.120 -2.398) 2.410 1.726 ( -3.004 -1.734 5.812) 6.769 1.920 ( -1.192 -0.688 -2.506) 2.859 1.977 ( -8.371 -4.833 7.573) 12.279 2.142 ( -7.865 -4.541 4.666) 10.210 2.277 ( 1.512 0.873 5.504) 5.775 2.332 ( -7.901 -4.562 -4.961) 10.385 3.608 ( 2.779 1.604 -11.094) 11.549 3.780 ( -2.509 -1.449 -8.235) 8.730 4.657 ( -3.735 -2.156 -2.523) 4.997 5.871 ( 1.696 0.979 1.921) 2.743 6.381 ( 0.717 0.414 2.660) 2.786 6.503 ( -1.398 -0.807 0.358) 1.653 6.853 ( -7.313 -4.222 0.622) 8.467 7.245 ( -9.451 -5.456 -1.816) 11.063 7.402 ( 4.493 2.594 2.019) 5.567 13.057 ( 1.038 0.599 0.700) 1.388 13.382 ( -6.449 -3.724 1.570) 7.611 15.402 ( 5.831 3.366 3.664) 7.665 15.426 ( -0.332 -0.191 -0.017) 0.383 15.721 ( 2.088 1.206 -9.081) 9.396 15.969 ( 1.941 1.121 -1.017) 2.461 ======================= Grid point 445 (89/116) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 2.058 1.188 4.857) 5.407 0.816 ( 4.113 2.375 0.269) 4.757 1.031 ( 4.430 2.558 5.998) 7.883 1.274 ( -1.840 -1.063 1.297) 2.490 1.300 ( -1.738 -1.003 -1.355) 2.421 1.649 ( -3.724 -2.150 5.936) 7.329 1.652 ( -1.771 -1.023 2.470) 3.207 1.777 ( -8.956 -5.171 5.943) 11.928 1.888 ( -1.647 -0.951 -2.202) 2.909 1.968 ( -7.322 -4.227 5.309) 9.983 2.095 ( -10.303 -5.949 -1.367) 11.976 2.379 ( 4.734 2.733 0.255) 5.472 3.660 ( 1.817 1.049 -10.827) 11.028 3.725 ( -2.237 -1.291 -8.381) 8.769 4.572 ( -3.633 -2.098 -2.566) 4.918 5.941 ( 4.806 2.775 1.269) 5.693 6.398 ( 0.805 0.465 2.290) 2.471 6.472 ( -1.345 -0.777 0.721) 1.712 6.679 ( -7.919 -4.572 1.155) 9.217 6.983 ( -13.422 -7.749 -2.208) 15.654 7.516 ( 4.974 2.872 1.606) 5.964 13.080 ( 0.925 0.534 1.068) 1.510 13.243 ( -5.830 -3.366 1.774) 6.961 15.420 ( -0.190 -0.110 -0.279) 0.355 15.469 ( 0.158 0.091 0.819) 0.839 15.821 ( 6.376 3.681 -4.766) 8.771 16.019 ( 2.583 1.492 -1.695) 3.431 ======================= Grid point 446 (90/116) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 2.763 1.595 5.973) 6.772 0.901 ( 2.500 1.444 2.484) 3.809 1.099 ( 2.389 1.379 4.644) 5.401 1.240 ( -1.485 -0.858 0.121) 1.720 1.250 ( -2.777 -1.603 -2.490) 4.060 1.575 ( -2.594 -1.498 6.056) 6.756 1.593 ( -4.101 -2.368 6.393) 7.956 1.633 ( -2.266 -1.308 6.254) 6.780 1.837 ( -4.123 -2.380 6.466) 8.030 1.850 ( -1.789 -1.033 -1.728) 2.694 1.896 ( -6.959 -4.018 -1.049) 8.104 2.477 ( 3.579 2.067 -1.458) 4.383 3.686 ( 0.490 0.283 -10.319) 10.335 3.687 ( -1.025 -0.592 -8.943) 9.021 4.506 ( -2.159 -1.246 -2.608) 3.607 6.093 ( 8.977 5.183 -0.007) 10.366 6.413 ( 0.374 0.216 0.850) 0.953 6.449 ( -0.524 -0.303 1.930) 2.022 6.525 ( -5.488 -3.169 1.697) 6.560 6.669 ( -14.399 -8.313 -2.139) 16.764 7.607 ( 2.960 1.709 1.842) 3.883 13.095 ( 0.424 0.245 1.508) 1.585 13.136 ( -3.550 -2.050 1.848) 4.496 15.418 ( 0.057 0.033 -0.658) 0.662 15.445 ( -1.523 -0.879 -1.016) 2.031 15.943 ( 3.588 2.071 0.302) 4.154 16.087 ( 3.401 1.964 -4.213) 5.760 ======================= Grid point 448 (91/116) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -2.271 -2.596 3.682) 5.045 0.893 ( 1.807 -4.063 0.783) 4.515 1.083 ( 1.337 -3.469 6.288) 7.305 1.220 ( -2.946 3.931 0.893) 4.993 1.263 ( -2.010 0.448 -0.096) 2.061 1.599 ( 0.189 3.858 7.036) 8.027 1.628 ( -0.963 1.923 3.988) 4.531 1.765 ( 7.819 6.960 4.712) 11.479 1.853 ( -2.233 6.549 2.785) 7.458 1.930 ( 6.652 2.417 0.593) 7.102 2.058 ( 6.565 9.944 -1.577) 12.020 2.408 ( -2.612 -4.633 -0.072) 5.319 3.647 ( -2.466 -0.379 -9.315) 9.644 3.734 ( 2.601 0.959 -9.839) 10.222 4.550 ( 1.842 3.343 -2.541) 4.585 5.979 ( -2.695 -6.035 0.674) 6.644 6.429 ( -0.431 1.669 0.386) 1.766 6.443 ( 1.596 -1.188 2.536) 3.223 6.616 ( 2.305 8.100 2.037) 8.664 6.907 ( 8.556 13.518 -2.591) 16.207 7.548 ( -2.173 -4.458 1.411) 5.156 13.081 ( -0.893 -0.072 1.521) 1.766 13.221 ( 4.438 4.720 1.042) 6.562 15.428 ( 0.955 0.007 -0.696) 1.182 15.466 ( 0.693 1.354 -0.215) 1.537 15.850 ( -5.041 -6.967 -2.864) 9.064 16.029 ( -2.157 -2.750 -1.684) 3.880 ======================= Grid point 449 (92/116) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -0.110 -1.509 0.716) 1.674 0.867 ( -0.753 -2.822 -0.680) 2.999 1.057 ( -0.432 -4.642 3.838) 6.039 1.219 ( -2.515 1.276 1.495) 3.192 1.232 ( -0.246 2.614 3.825) 4.639 1.606 ( -1.656 0.613 1.977) 2.651 1.667 ( 1.224 5.284 6.344) 8.346 1.865 ( -0.688 5.697 3.094) 6.520 1.989 ( 7.798 6.181 5.020) 11.145 2.089 ( 9.010 1.604 0.599) 9.171 2.261 ( 5.988 7.018 -5.563) 10.773 2.329 ( -1.524 -0.918 4.023) 4.398 3.599 ( -2.968 0.005 -9.103) 9.575 3.787 ( 2.739 0.486 -9.976) 10.356 4.624 ( 2.818 3.426 -2.428) 5.057 5.904 ( -1.433 -2.515 1.054) 3.080 6.419 ( -1.943 1.846 1.648) 3.147 6.482 ( 3.204 -1.044 0.909) 3.490 6.749 ( 4.144 7.721 2.739) 9.181 7.158 ( 7.522 8.609 -1.227) 11.498 7.467 ( -1.851 -3.913 -0.139) 4.331 13.067 ( -1.286 1.002 1.320) 2.098 13.357 ( 6.580 3.439 -0.222) 7.428 15.436 ( -0.127 -1.136 -0.155) 1.154 15.488 ( 1.008 -0.951 1.733) 2.219 15.671 ( -7.561 -4.410 -6.411) 10.850 15.975 ( -1.697 -1.792 -0.311) 2.488 ======================= Grid point 450 (93/116) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.808 -1.567 -1.056) 2.055 0.823 ( -2.090 -1.065 -0.203) 2.355 0.979 ( -4.324 -2.083 -0.516) 4.827 1.201 ( 0.440 -0.667 2.799) 2.911 1.273 ( 1.211 2.941 3.751) 4.918 1.584 ( -0.406 -1.177 -0.090) 1.248 1.740 ( 0.903 5.694 6.465) 8.662 1.913 ( -0.206 5.596 2.336) 6.068 2.140 ( 3.463 2.778 6.765) 8.092 2.200 ( 4.852 -2.938 1.384) 5.838 2.320 ( 3.414 3.244 1.033) 4.821 2.443 ( 4.985 4.687 -2.284) 7.213 3.554 ( -2.978 1.329 -9.369) 9.920 3.829 ( 2.174 -0.435 -9.842) 10.088 4.700 ( 2.512 2.635 -2.356) 4.337 5.875 ( -0.521 -0.655 1.491) 1.709 6.404 ( -1.873 1.690 1.932) 3.177 6.520 ( 2.002 -0.293 0.418) 2.066 6.887 ( 4.422 5.259 2.589) 7.343 7.266 ( -0.740 1.583 1.828) 2.529 7.463 ( 3.980 -0.030 -2.555) 4.730 13.059 ( -1.649 2.295 0.984) 2.992 13.486 ( 6.149 0.506 -1.058) 6.259 15.345 ( -5.291 -7.233 2.177) 9.222 15.474 ( -1.603 1.584 -0.688) 2.356 15.608 ( 0.687 1.109 -6.058) 6.196 15.937 ( -1.033 -1.336 -0.514) 1.766 ======================= Grid point 451 (94/116) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 0.055 -1.438 -0.658) 1.583 0.780 ( -2.005 -0.202 1.154) 2.322 0.893 ( -5.165 0.908 -1.789) 5.541 1.220 ( 2.609 -0.906 1.224) 3.021 1.322 ( 1.198 2.832 1.835) 3.581 1.577 ( 1.902 -2.786 -0.863) 3.482 1.798 ( -0.430 5.294 5.955) 7.980 1.958 ( -0.587 4.724 1.424) 4.968 2.149 ( -0.387 -1.614 4.514) 4.810 2.257 ( 2.634 -0.959 5.878) 6.513 2.399 ( 0.639 3.036 3.591) 4.746 2.527 ( 2.954 -0.784 -4.274) 5.254 3.533 ( -1.933 3.077 -10.024) 10.663 3.847 ( 0.967 -1.420 -9.428) 9.583 4.749 ( 0.924 1.253 -2.373) 2.838 5.866 ( -0.478 0.103 2.001) 2.060 6.391 ( -1.608 1.786 2.142) 3.219 6.541 ( 0.628 -0.102 0.316) 0.710 6.985 ( 2.925 1.885 1.410) 3.755 7.245 ( -1.722 1.135 1.456) 2.525 7.520 ( 2.088 -1.191 -1.025) 2.613 13.057 ( -1.773 3.276 0.656) 3.782 13.554 ( 3.101 -2.924 -0.848) 4.345 15.215 ( -2.702 -3.501 1.777) 4.766 15.466 ( -1.625 1.996 -0.775) 2.688 15.645 ( 2.187 0.383 -5.606) 6.029 15.917 ( -0.126 -0.845 -0.951) 1.279 ======================= Grid point 452 (95/116) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -0.626 -0.838 -0.075) 1.049 0.776 ( -0.155 3.212 2.679) 4.185 0.831 ( -2.767 0.986 -0.880) 3.067 1.256 ( 2.864 -1.932 1.120) 3.632 1.359 ( 0.080 2.037 0.079) 2.040 1.596 ( 3.605 -2.792 -2.559) 5.228 1.821 ( -2.454 4.138 5.804) 7.538 1.980 ( -1.794 3.912 -0.124) 4.306 2.121 ( -0.601 -2.863 5.560) 6.283 2.251 ( -1.359 -2.204 5.626) 6.193 2.379 ( -4.588 0.324 4.952) 6.758 2.528 ( -0.959 -2.753 -4.150) 5.072 3.549 ( -0.164 3.744 -10.667) 11.306 3.835 ( -0.405 -2.018 -8.855) 9.091 4.751 ( -1.394 -0.142 -2.446) 2.819 5.859 ( -0.493 0.341 2.251) 2.330 6.387 ( -1.066 2.057 2.385) 3.325 6.538 ( -0.554 -0.532 0.358) 0.848 7.008 ( -0.881 -1.245 0.399) 1.576 7.255 ( 0.959 2.941 0.812) 3.198 7.493 ( -2.632 -3.473 0.286) 4.367 13.062 ( -1.548 3.462 0.448) 3.819 13.532 ( -1.101 -4.788 0.193) 4.917 15.206 ( 3.340 0.443 2.163) 4.003 15.457 ( -1.584 1.703 -0.408) 2.361 15.677 ( 1.611 -0.539 -6.972) 7.176 15.918 ( 0.938 -0.322 -1.038) 1.436 ======================= Grid point 453 (96/116) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 1.012 -0.332 -0.134) 1.074 0.789 ( -1.999 4.105 1.975) 4.975 0.868 ( 4.282 3.024 3.074) 6.077 1.273 ( 1.964 -2.872 1.623) 3.839 1.352 ( -1.574 -0.828 0.119) 1.783 1.634 ( 3.120 -1.818 -3.460) 5.001 1.790 ( -4.605 1.571 6.207) 7.887 1.972 ( -3.388 3.180 -1.670) 4.937 2.060 ( -3.818 -2.631 7.605) 8.907 2.173 ( -4.245 -5.257 2.811) 7.318 2.301 ( -2.922 0.539 4.794) 5.640 2.437 ( -7.092 -2.181 -2.717) 7.901 3.591 ( 1.276 2.555 -10.889) 11.257 3.799 ( -1.505 -1.681 -8.471) 8.767 4.703 ( -3.467 -0.966 -2.502) 4.383 5.861 ( 0.387 0.586 2.072) 2.188 6.395 ( -0.537 2.410 2.552) 3.551 6.514 ( -1.228 -1.369 0.442) 1.891 6.931 ( -5.670 -2.716 0.577) 6.314 7.323 ( 1.012 2.930 -1.326) 3.372 7.378 ( -4.496 -3.930 1.808) 6.239 13.071 ( -0.953 2.575 0.490) 2.789 13.440 ( -4.369 -3.911 1.066) 5.960 15.316 ( 7.303 2.173 3.118) 8.232 15.447 ( -1.376 1.486 -0.118) 2.029 15.690 ( 1.390 -1.434 -8.631) 8.859 15.941 ( 1.932 0.093 -0.803) 2.095 ======================= Grid point 454 (97/116) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 2.512 -0.234 1.278) 2.828 0.820 ( 1.104 3.957 1.313) 4.313 0.985 ( 4.808 4.153 5.386) 8.329 1.267 ( 0.600 -2.677 2.242) 3.543 1.300 ( -1.804 -3.390 -0.566) 3.882 1.647 ( 0.443 -2.107 0.017) 2.153 1.704 ( -5.237 -1.551 6.266) 8.312 1.902 ( -7.202 -0.536 4.249) 8.379 1.973 ( -6.271 4.065 -0.461) 7.488 2.017 ( -6.359 -6.456 4.488) 10.113 2.261 ( -11.005 -1.465 -3.194) 11.553 2.323 ( 3.109 1.425 3.275) 4.735 3.631 ( 1.762 -0.067 -10.385) 10.533 3.760 ( -2.109 0.080 -8.801) 9.051 4.626 ( -4.391 -0.921 -2.521) 5.146 5.893 ( 2.772 1.047 1.548) 3.343 6.414 ( -0.278 2.876 2.435) 3.779 6.474 ( -1.242 -2.324 0.620) 2.707 6.783 ( -8.412 -2.878 1.248) 8.978 7.160 ( -12.564 -2.604 -1.695) 12.943 7.446 ( 5.648 1.774 1.140) 6.029 13.078 ( -0.141 0.823 0.888) 1.219 13.325 ( -6.154 -1.231 1.218) 6.393 15.426 ( 1.126 0.536 0.398) 1.309 15.456 ( 1.784 1.942 2.226) 3.451 15.725 ( 5.663 -1.138 -7.841) 9.739 15.980 ( 2.610 0.098 -0.747) 2.717 ======================= Grid point 459 (98/116) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 0.308 -1.175 -1.021) 1.587 0.832 ( 0.244 -0.577 0.534) 0.823 0.955 ( 2.117 -5.526 4.293) 7.310 1.224 ( -2.435 0.216 1.398) 2.816 1.305 ( -1.442 3.682 1.445) 4.210 1.598 ( -2.875 -1.818 -2.168) 4.034 1.789 ( 1.503 6.772 7.115) 9.937 1.985 ( -0.541 5.805 3.956) 7.046 2.079 ( 5.417 -0.403 1.969) 5.778 2.120 ( 3.946 5.360 2.065) 6.969 2.296 ( 0.941 1.381 0.729) 1.823 2.426 ( 3.801 5.890 0.431) 7.023 3.608 ( -1.261 0.724 -9.884) 9.990 3.791 ( 1.442 0.038 -9.263) 9.374 4.692 ( 1.877 3.447 -2.483) 4.644 5.872 ( 0.038 -0.830 1.757) 1.944 6.442 ( 0.795 0.008 2.190) 2.330 6.483 ( 0.680 1.571 0.749) 1.869 6.890 ( 2.100 6.401 1.456) 6.892 7.305 ( 0.308 5.949 1.192) 6.075 7.393 ( 2.383 -3.034 -1.551) 4.157 13.099 ( 0.527 2.064 0.724) 2.250 13.409 ( 3.067 2.073 0.203) 3.707 15.344 ( -3.290 -7.327 2.792) 8.503 15.480 ( 1.973 0.578 -0.273) 2.074 15.644 ( -3.251 0.406 -7.905) 8.557 15.940 ( -1.153 -1.764 -0.421) 2.149 ======================= Grid point 460 (99/116) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.648 -0.144 -0.995) 1.196 0.809 ( -2.006 -0.927 0.979) 2.417 0.945 ( 0.075 -1.382 2.723) 3.055 1.209 ( -0.429 1.753 -1.229) 2.183 1.325 ( 0.481 2.318 2.240) 3.259 1.530 ( -1.143 -4.452 -2.502) 5.233 1.871 ( -0.131 7.466 6.805) 10.103 2.013 ( -0.844 3.268 4.238) 5.418 2.138 ( 2.258 -1.563 0.825) 2.868 2.208 ( 1.860 3.647 4.191) 5.859 2.372 ( 5.013 2.004 1.476) 5.597 2.494 ( 0.552 0.524 -0.425) 0.872 3.604 ( -1.749 3.620 -9.656) 10.460 3.806 ( 1.486 -1.924 -9.433) 9.742 4.747 ( 1.245 2.051 -2.519) 3.479 5.872 ( 0.050 0.205 2.115) 2.126 6.443 ( -1.608 2.145 1.858) 3.262 6.516 ( 1.864 -0.120 0.981) 2.110 6.966 ( 1.692 2.621 1.045) 3.290 7.297 ( -2.359 2.158 1.576) 3.565 7.455 ( 3.902 -1.036 -1.315) 4.246 13.129 ( -1.099 4.905 0.600) 5.062 13.458 ( 3.398 -3.260 -0.405) 4.726 15.221 ( -3.070 -5.263 2.014) 6.417 15.511 ( -0.173 2.195 -1.549) 2.692 15.622 ( 0.075 0.145 -5.706) 5.708 15.911 ( -0.516 -1.262 -0.616) 1.496 ======================= Grid point 461 (100/116) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -0.716 0.669 -0.269) 1.016 0.778 ( 0.371 -0.079 1.244) 1.300 0.916 ( -3.301 1.141 2.710) 4.420 1.225 ( -0.266 1.708 -1.498) 2.287 1.364 ( 1.321 1.491 0.343) 2.021 1.493 ( 3.159 -5.524 -2.424) 6.809 1.920 ( -2.587 6.794 6.177) 9.540 2.025 ( -0.052 1.026 4.124) 4.250 2.131 ( -1.718 -0.533 2.335) 2.947 2.248 ( -0.135 1.414 3.263) 3.559 2.445 ( -2.440 0.580 6.036) 6.536 2.477 ( 3.214 -3.183 -4.480) 6.366 3.614 ( -2.128 4.785 -9.893) 11.193 3.804 ( 1.155 -2.932 -9.179) 9.705 4.768 ( -0.344 0.668 -2.577) 2.684 5.872 ( -0.419 0.445 2.389) 2.466 6.437 ( -1.844 2.769 1.999) 3.881 6.533 ( 0.554 -0.858 0.905) 1.365 6.997 ( 0.755 -0.332 0.355) 0.898 7.295 ( -1.478 3.795 0.920) 4.175 7.473 ( 0.901 -3.456 -0.054) 3.572 13.148 ( -3.057 5.875 0.382) 6.634 13.462 ( 2.701 -6.085 -0.112) 6.658 15.166 ( 0.750 -1.578 1.819) 2.522 15.513 ( -2.239 2.691 -1.760) 3.918 15.638 ( 1.945 -1.172 -5.481) 5.932 15.900 ( 0.414 -0.722 -0.750) 1.120 ======================= Grid point 463 (101/116) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -0.829 0.186 -0.667) 1.080 0.821 ( 2.566 0.338 0.758) 2.697 0.882 ( -2.360 4.493 3.807) 6.345 1.228 ( 0.319 -0.868 0.186) 0.943 1.362 ( -1.245 -1.836 0.567) 2.289 1.539 ( 5.645 -2.185 -3.765) 7.128 1.898 ( -5.646 2.219 6.772) 9.092 2.042 ( 1.096 0.763 3.934) 4.154 2.079 ( -4.040 0.290 2.472) 4.745 2.223 ( -4.080 -0.125 1.136) 4.237 2.356 ( -4.261 -2.175 3.985) 6.227 2.495 ( -1.070 -0.382 -0.862) 1.426 3.618 ( -1.577 2.330 -10.259) 10.638 3.794 ( 0.377 -1.460 -8.875) 9.002 4.748 ( -2.341 -0.138 -2.563) 3.474 5.868 ( -0.456 0.408 2.264) 2.345 6.437 ( -1.278 2.685 2.193) 3.694 6.518 ( -0.874 -1.510 0.820) 1.928 6.979 ( -2.299 -1.355 0.499) 2.715 7.319 ( 0.736 2.463 0.623) 2.645 7.425 ( -3.019 -2.421 -0.021) 3.870 13.136 ( -3.503 3.036 0.297) 4.645 13.441 ( 0.307 -3.241 0.401) 3.280 15.216 ( 5.641 0.481 2.220) 6.082 15.496 ( -2.322 2.054 -1.094) 3.287 15.650 ( 1.273 -2.059 -6.782) 7.201 15.911 ( 1.413 -0.222 -0.622) 1.560 ======================= Grid point 471 (102/116) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 1.217 1.959 -0.141) 2.311 0.775 ( -1.510 -2.359 0.462) 2.839 0.935 ( 0.912 0.201 6.071) 6.142 1.266 ( 2.449 3.615 -4.977) 6.621 1.361 ( -1.076 1.567 1.212) 2.254 1.423 ( -2.670 -6.043 -2.470) 7.053 2.004 ( 1.693 5.395 6.501) 8.616 2.028 ( 0.356 -0.359 4.613) 4.640 2.107 ( -0.253 -2.136 5.267) 5.689 2.304 ( 2.090 4.796 -2.582) 5.834 2.392 ( 0.892 0.065 -0.884) 1.258 2.473 ( -1.365 -1.933 4.430) 5.023 3.678 ( 1.614 3.441 -9.601) 10.326 3.760 ( -1.146 -2.586 -9.260) 9.682 4.774 ( 0.422 0.750 -2.670) 2.806 5.878 ( 0.206 0.282 2.509) 2.533 6.479 ( 1.016 1.413 1.753) 2.470 6.512 ( -0.379 -0.401 1.309) 1.421 6.989 ( -0.023 0.210 0.160) 0.265 7.351 ( 1.000 2.829 0.741) 3.091 7.422 ( -0.442 -2.027 0.074) 2.076 13.235 ( 2.797 5.333 0.246) 6.027 13.375 ( -2.306 -4.709 0.076) 5.244 15.152 ( -1.026 -1.844 1.764) 2.751 15.554 ( 1.761 2.088 -2.710) 3.848 15.610 ( -1.468 -1.305 -4.739) 5.130 15.893 ( -0.299 -0.526 -0.611) 0.860 ======================= Grid point 545 (103/116) ======================= q-point: ( 0.00 0.00 -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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.000 -0.000 0.000) 0.000 0.959 ( 0.000 0.000 0.000) 0.000 1.152 ( 0.000 -0.000 0.000) 0.000 1.152 ( -0.000 0.000 0.000) 0.000 1.225 ( 0.000 0.000 0.000) 0.000 1.624 ( 0.000 -0.000 0.000) 0.000 1.624 ( 0.000 0.000 0.000) 0.000 1.721 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 -0.000 0.000) 0.000 1.792 ( -0.000 0.000 0.000) 0.000 1.872 ( 0.000 -0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 -0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 -0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 7.660 ( 0.000 0.000 0.000) 0.000 13.117 ( 0.000 -0.000 0.000) 0.000 13.117 ( 0.000 0.000 0.000) 0.000 15.411 ( 0.000 0.000 0.000) 0.000 15.411 ( -0.000 0.000 0.000) 0.000 16.026 ( 0.000 0.000 0.000) 0.000 16.048 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 547 (104/116) ======================= q-point: ( 0.10 0.00 -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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -4.525 -2.613 2.503) 5.794 0.924 ( -2.649 -1.530 -3.367) 4.549 1.168 ( -0.041 -0.024 -1.647) 1.648 1.190 ( 2.835 1.637 3.128) 4.528 1.247 ( 1.531 0.884 -0.352) 1.803 1.649 ( 2.204 1.272 1.007) 2.737 1.679 ( 2.677 1.546 -0.681) 3.165 1.719 ( 2.439 1.408 -0.709) 2.904 1.804 ( 0.819 0.473 0.799) 1.238 1.869 ( 6.467 3.733 -0.020) 7.467 1.916 ( 4.068 2.348 -0.500) 4.723 2.462 ( -2.604 -1.503 -0.012) 3.007 3.564 ( -1.096 -0.633 0.726) 1.460 3.595 ( 1.642 0.948 -0.700) 2.021 4.477 ( 2.170 1.253 0.010) 2.506 6.094 ( -8.003 -4.620 -0.179) 9.243 6.415 ( 0.225 0.130 0.262) 0.370 6.481 ( 0.229 0.132 -0.631) 0.684 6.534 ( 4.932 2.848 0.824) 5.754 6.651 ( 14.027 8.098 -0.312) 16.199 7.625 ( -3.030 -1.749 -0.026) 3.499 13.108 ( -0.740 -0.427 0.273) 0.897 13.160 ( 3.717 2.146 -0.363) 4.308 15.414 ( 0.268 0.155 -0.325) 0.449 15.430 ( 1.618 0.934 0.288) 1.891 15.952 ( -6.430 -3.712 0.022) 7.425 16.035 ( -1.131 -0.653 0.093) 1.310 ======================= Grid point 549 (105/116) ======================= q-point: ( 0.20 0.00 -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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -3.704 -2.139 1.778) 4.632 0.860 ( -2.890 -1.669 -3.687) 4.973 1.118 ( -4.499 -2.598 -2.339) 5.697 1.255 ( 2.711 1.565 3.139) 4.434 1.278 ( 1.323 0.764 1.312) 2.014 1.659 ( -1.787 -1.032 1.273) 2.425 1.716 ( 3.648 2.106 2.175) 4.741 1.824 ( 0.943 0.544 1.419) 1.789 1.903 ( 10.696 6.176 -3.821) 12.929 2.044 ( 7.127 4.115 -1.425) 8.353 2.050 ( 9.085 5.245 0.888) 10.528 2.393 ( -3.196 -1.845 -0.111) 3.693 3.527 ( -2.180 -1.259 1.230) 2.802 3.643 ( 2.511 1.450 -1.078) 3.093 4.543 ( 3.628 2.095 0.057) 4.190 5.958 ( -4.269 -2.464 -0.437) 4.948 6.417 ( -0.128 -0.074 0.220) 0.265 6.492 ( 0.796 0.460 -0.823) 1.234 6.677 ( 7.480 4.319 1.367) 8.745 6.965 ( 13.640 7.875 -0.397) 15.755 7.535 ( -4.841 -2.795 -0.253) 5.595 13.087 ( -1.164 -0.672 0.416) 1.407 13.272 ( 6.065 3.502 -0.949) 7.068 15.422 ( 0.397 0.229 -0.506) 0.682 15.476 ( 2.256 1.302 -0.071) 2.606 15.761 ( -10.199 -5.888 0.864) 11.808 16.001 ( -1.856 -1.071 0.173) 2.150 ======================= Grid point 551 (106/116) ======================= q-point: ( 0.30 0.00 -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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -1.417 -0.818 0.131) 1.642 0.801 ( -2.396 -1.384 -2.945) 4.041 0.989 ( -6.453 -3.726 -2.792) 7.957 1.299 ( 0.222 0.128 2.918) 2.930 1.304 ( 1.701 0.982 2.298) 3.023 1.624 ( -1.141 -0.659 1.700) 2.151 1.799 ( 3.590 2.073 3.602) 5.492 1.847 ( 1.138 0.657 0.148) 1.322 2.134 ( 9.166 5.292 -5.609) 11.979 2.211 ( 7.457 4.305 -1.677) 8.773 2.230 ( 5.508 3.180 3.560) 7.289 2.350 ( 0.756 0.436 -0.806) 1.188 3.470 ( -2.826 -1.631 1.347) 3.530 3.699 ( 2.367 1.366 -1.047) 2.927 4.628 ( 3.760 2.171 0.105) 4.342 5.897 ( -1.479 -0.854 -0.561) 1.798 6.409 ( -0.516 -0.298 -0.042) 0.598 6.514 ( 1.087 0.628 -0.572) 1.379 6.844 ( 7.075 4.085 1.582) 8.322 7.224 ( 8.446 4.876 0.360) 9.759 7.435 ( -2.919 -1.685 -1.305) 3.614 13.060 ( -1.125 -0.649 0.387) 1.355 13.413 ( 6.320 3.649 -1.423) 7.435 15.431 ( 0.354 0.205 -0.481) 0.632 15.481 ( -6.175 -3.565 -4.170) 8.260 15.569 ( -2.141 -1.236 5.409) 5.947 15.958 ( -1.889 -1.091 0.153) 2.186 ======================= Grid point 553 (107/116) ======================= q-point: ( 0.40 0.00 -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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.288 0.166 -1.033) 1.086 0.758 ( -1.397 -0.807 -1.643) 2.303 0.859 ( -4.664 -2.693 -1.805) 5.680 1.286 ( -1.083 -0.625 2.855) 3.117 1.331 ( 0.731 0.422 1.226) 1.488 1.613 ( -0.003 -0.002 0.881) 0.881 1.860 ( 1.458 0.842 5.405) 5.661 1.875 ( 1.544 0.891 -3.098) 3.574 2.233 ( -0.093 -0.053 -2.068) 2.071 2.322 ( 4.786 2.763 0.480) 5.547 2.354 ( 4.933 2.848 -1.162) 5.814 2.438 ( 4.385 2.532 -0.022) 5.064 3.411 ( -2.229 -1.287 0.939) 2.739 3.742 ( 1.399 0.808 -0.647) 1.741 4.699 ( 2.389 1.379 0.087) 2.759 5.881 ( -0.227 -0.131 -0.403) 0.481 6.398 ( -0.440 -0.254 -0.112) 0.521 6.535 ( 0.736 0.425 -0.274) 0.893 6.974 ( 4.303 2.484 1.264) 5.127 7.267 ( -2.109 -1.218 0.553) 2.498 7.478 ( 4.503 2.600 -1.446) 5.397 13.040 ( -0.677 -0.391 0.225) 0.813 13.534 ( 4.200 2.425 -1.153) 4.985 15.303 ( -6.714 -3.876 -0.825) 7.797 15.437 ( 0.198 0.115 -0.286) 0.366 15.589 ( 1.231 0.711 1.868) 2.347 15.922 ( -1.188 -0.686 0.070) 1.374 ======================= Grid point 555 (108/116) ======================= q-point: (-0.50 0.00 -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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.000 0.000 0.000) 0.000 0.742 ( 0.000 0.000 0.000) 0.000 0.804 ( 0.000 0.000 0.000) 0.000 1.270 ( 0.000 0.000 0.000) 0.000 1.339 ( 0.000 0.000 0.000) 0.000 1.615 ( 0.000 0.000 0.000) 0.000 1.873 ( -0.000 -0.000 -0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 -0.000) 0.000 2.412 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 3.384 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 5.879 ( 0.000 0.000 0.000) 0.000 6.393 ( 0.000 0.000 0.000) 0.000 6.543 ( 0.000 0.000 0.000) 0.000 7.023 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.534 ( 0.000 0.000 0.000) 0.000 13.032 ( 0.000 0.000 0.000) 0.000 13.584 ( 0.000 0.000 0.000) 0.000 15.224 ( 0.000 0.000 0.000) 0.000 15.439 ( 0.000 0.000 0.000) 0.000 15.603 ( 0.000 0.000 0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 569 (109/116) ======================= q-point: ( 0.10 0.10 -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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -2.786 -4.825 0.000) 5.572 0.890 ( -1.269 -2.198 -0.000) 2.538 1.157 ( -1.468 -2.542 0.000) 2.935 1.218 ( 1.290 2.234 0.000) 2.579 1.272 ( 0.604 1.046 0.000) 1.207 1.669 ( -1.036 -1.794 0.000) 2.072 1.702 ( 2.335 4.045 0.000) 4.671 1.834 ( 4.861 8.419 0.000) 9.721 1.844 ( 2.203 3.816 0.000) 4.406 1.941 ( 2.914 5.047 0.000) 5.828 2.033 ( 4.873 8.441 0.000) 9.747 2.415 ( -1.702 -2.948 0.000) 3.405 3.543 ( -0.861 -1.492 0.000) 1.723 3.625 ( 1.181 2.046 0.000) 2.363 4.523 ( 1.932 3.347 0.000) 3.865 5.986 ( -3.039 -5.264 0.000) 6.078 6.433 ( 0.677 1.173 0.000) 1.354 6.470 ( -0.173 -0.301 0.000) 0.347 6.639 ( 4.085 7.076 0.000) 8.171 6.880 ( 8.078 13.992 0.000) 16.157 7.562 ( -2.649 -4.588 0.000) 5.298 13.098 ( -0.368 -0.637 0.000) 0.736 13.232 ( 2.963 5.132 0.000) 5.926 15.421 ( 0.270 0.468 0.000) 0.541 15.462 ( 1.273 2.205 0.000) 2.546 15.820 ( -5.537 -9.590 0.000) 11.074 16.011 ( -1.006 -1.742 0.000) 2.012 ======================= Grid point 571 (110/116) ======================= q-point: ( 0.20 0.10 -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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -1.427 -3.560 -0.040) 3.836 0.845 ( -2.242 -0.445 -1.203) 2.583 1.066 ( -5.678 -2.926 -2.157) 6.742 1.265 ( 2.015 -0.662 1.955) 2.885 1.292 ( 1.469 1.052 1.317) 2.236 1.627 ( -1.374 -2.381 0.926) 2.901 1.792 ( 2.569 5.521 1.912) 6.383 1.880 ( -1.039 4.822 0.778) 4.993 2.045 ( 8.152 8.055 -2.822) 11.802 2.079 ( 8.671 1.780 -1.075) 8.916 2.184 ( 4.186 4.809 1.012) 6.455 2.379 ( -0.603 1.748 -0.247) 1.865 3.506 ( -2.215 -0.795 0.827) 2.494 3.669 ( 2.141 1.195 -0.691) 2.547 4.598 ( 2.941 3.397 0.050) 4.494 5.912 ( -1.680 -1.948 -0.291) 2.589 6.437 ( -1.722 1.839 0.069) 2.520 6.487 ( 2.307 -0.488 -0.407) 2.393 6.788 ( 5.458 6.496 0.834) 8.526 7.143 ( 8.735 9.797 -0.063) 13.126 7.462 ( -3.545 -4.449 -0.407) 5.703 13.085 ( -1.136 0.571 0.279) 1.302 13.346 ( 5.132 3.856 -0.761) 6.464 15.429 ( 0.057 0.157 -0.254) 0.304 15.505 ( 0.945 1.610 -1.460) 2.370 15.613 ( -7.166 -8.673 2.044) 11.435 15.972 ( -1.486 -1.814 0.091) 2.346 ======================= Grid point 573 (111/116) ======================= q-point: ( 0.30 0.10 -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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.412 -2.059 -0.832) 2.259 0.815 ( -1.904 1.648 -0.679) 2.608 0.936 ( -6.732 -1.581 -3.017) 7.545 1.265 ( 0.650 -2.690 2.320) 3.612 1.333 ( 1.127 1.487 1.959) 2.706 1.587 ( 0.149 -3.323 0.864) 3.437 1.880 ( 0.813 5.955 4.733) 7.650 1.906 ( -1.402 5.096 -1.876) 5.608 2.185 ( 3.418 -2.821 -2.896) 5.294 2.243 ( 7.483 3.532 -2.889) 8.765 2.285 ( 6.252 2.927 3.039) 7.542 2.436 ( 1.249 5.626 -0.533) 5.788 3.460 ( -3.151 0.764 0.977) 3.386 3.713 ( 2.241 0.036 -0.739) 2.360 4.675 ( 2.589 2.540 0.078) 3.627 5.886 ( -0.457 -0.137 -0.372) 0.605 6.423 ( -1.723 1.579 -0.140) 2.342 6.521 ( 1.626 0.298 -0.249) 1.671 6.926 ( 4.642 3.988 1.110) 6.219 7.296 ( -0.603 1.967 1.171) 2.368 7.417 ( 3.964 0.349 -1.904) 4.411 13.073 ( -1.790 2.035 0.307) 2.728 13.463 ( 5.602 1.112 -1.115) 5.819 15.362 ( -5.980 -6.636 -0.897) 8.978 15.457 ( -1.686 1.362 -1.028) 2.399 15.566 ( 1.933 0.242 2.569) 3.224 15.932 ( -1.239 -1.478 0.074) 1.930 ======================= Grid point 575 (112/116) ======================= q-point: ( 0.40 0.10 -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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 1.001 -0.736 -0.492) 1.336 0.807 ( -1.117 0.738 1.269) 1.845 0.838 ( -4.757 3.105 -3.032) 6.439 1.246 ( 0.647 -2.701 1.344) 3.085 1.352 ( -0.263 1.192 0.835) 1.479 1.571 ( 2.075 -4.108 0.236) 4.609 1.913 ( -2.036 4.481 2.004) 5.315 1.941 ( -1.488 5.423 -0.821) 5.683 2.187 ( 1.720 -3.422 -0.709) 3.896 2.353 ( 3.159 0.414 -0.818) 3.290 2.415 ( 5.086 2.242 0.348) 5.569 2.475 ( -1.136 1.079 -0.177) 1.577 3.425 ( -2.783 2.778 0.436) 3.956 3.740 ( 1.454 -1.039 -0.307) 1.813 4.724 ( 0.928 1.111 0.038) 1.448 5.884 ( -0.223 0.504 -0.169) 0.577 6.413 ( -1.357 1.743 -0.084) 2.210 6.542 ( 0.504 0.327 -0.083) 0.607 7.006 ( 2.081 0.638 0.575) 2.251 7.261 ( -2.214 0.872 0.216) 2.389 7.504 ( 3.362 -0.158 -0.635) 3.425 13.065 ( -2.004 3.080 0.128) 3.676 13.539 ( 3.736 -2.104 -0.549) 4.323 15.232 ( -2.576 -3.207 -0.211) 4.119 15.455 ( -0.869 1.638 -0.237) 1.870 15.593 ( 1.036 -0.258 0.807) 1.339 15.907 ( -0.328 -0.842 0.019) 0.904 ======================= Grid point 591 (113/116) ======================= q-point: ( 0.20 0.20 -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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -0.705 -1.221 0.000) 1.410 0.838 ( -0.144 -0.249 0.000) 0.287 1.001 ( -2.102 -3.641 0.000) 4.204 1.239 ( -0.900 -1.560 0.000) 1.801 1.325 ( 1.202 2.082 0.000) 2.404 1.568 ( -2.094 -3.627 0.000) 4.188 1.910 ( 3.599 6.234 0.000) 7.199 1.977 ( 2.425 4.201 0.000) 4.851 2.103 ( 0.466 0.806 0.000) 0.931 2.193 ( 3.922 6.793 0.000) 7.844 2.243 ( 1.846 3.197 -0.000) 3.691 2.457 ( 2.682 4.645 0.000) 5.364 3.498 ( -0.059 -0.102 0.000) 0.118 3.688 ( 0.441 0.764 0.000) 0.882 4.665 ( 1.948 3.374 0.000) 3.895 5.890 ( -0.205 -0.355 0.000) 0.410 6.466 ( 0.140 0.243 0.000) 0.280 6.491 ( 0.922 1.596 0.000) 1.843 6.906 ( 3.098 5.366 0.000) 6.196 7.315 ( 4.313 7.470 0.000) 8.626 7.378 ( -2.148 -3.721 0.000) 4.296 13.107 ( 0.905 1.568 0.000) 1.810 13.411 ( 1.587 2.749 0.000) 3.174 15.378 ( -4.006 -6.938 0.000) 8.011 15.492 ( -0.806 -1.396 0.000) 1.612 15.541 ( 0.868 1.504 0.000) 1.736 15.935 ( -1.086 -1.881 0.000) 2.172 ======================= Grid point 593 (114/116) ======================= q-point: ( 0.30 0.20 -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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 0.811 0.716 -0.220) 1.104 0.824 ( -1.321 -1.288 0.376) 1.882 0.950 ( -3.049 3.313 -2.121) 4.977 1.212 ( 0.092 -2.559 1.236) 2.843 1.359 ( 0.714 1.176 0.942) 1.667 1.501 ( -0.225 -5.361 -0.079) 5.367 2.009 ( -0.959 6.909 5.314) 8.769 2.022 ( -1.420 6.404 -3.711) 7.536 2.122 ( 2.814 -2.633 -1.325) 4.075 2.297 ( 3.650 1.415 -1.711) 4.273 2.326 ( 4.840 1.076 1.475) 5.173 2.515 ( -0.162 2.555 -0.134) 2.564 3.500 ( -1.576 3.289 0.367) 3.666 3.699 ( 1.307 -1.509 -0.297) 2.018 4.719 ( 1.279 1.913 0.023) 2.301 5.892 ( 0.065 0.629 -0.101) 0.640 6.461 ( -1.596 2.145 -0.125) 2.677 6.526 ( 1.667 0.200 0.012) 1.679 6.981 ( 1.810 1.499 0.328) 2.374 7.318 ( -2.758 1.369 0.523) 3.124 7.434 ( 4.394 0.478 -0.749) 4.483 13.137 ( -1.015 4.580 0.172) 4.695 13.449 ( 2.896 -2.532 -0.427) 3.870 15.242 ( -3.442 -5.303 -0.125) 6.324 15.491 ( -0.775 1.980 -0.487) 2.181 15.568 ( 1.377 -0.179 0.831) 1.618 15.905 ( -0.643 -1.294 0.009) 1.445 ======================= Grid point 595 (115/116) ======================= q-point: ( 0.40 0.20 -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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -0.530 0.918 0.000) 1.060 0.792 ( 0.549 -0.951 0.000) 1.098 0.950 ( -3.699 6.406 0.000) 7.397 1.198 ( 1.201 -2.080 0.000) 2.402 1.369 ( -0.351 0.609 0.000) 0.703 1.472 ( 3.195 -5.534 0.000) 6.390 2.017 ( -3.176 5.501 -0.000) 6.352 2.058 ( -3.487 6.039 0.000) 6.973 2.134 ( 0.897 -1.553 -0.000) 1.794 2.334 ( 1.239 -2.145 -0.000) 2.477 2.385 ( 2.481 -4.298 0.000) 4.963 2.517 ( -1.443 2.499 0.000) 2.886 3.504 ( -2.784 4.822 0.000) 5.568 3.702 ( 1.583 -2.741 0.000) 3.165 4.740 ( -0.316 0.547 0.000) 0.631 5.897 ( -0.371 0.643 0.000) 0.743 6.458 ( -1.551 2.686 0.000) 3.101 6.542 ( 0.314 -0.544 0.000) 0.628 7.001 ( 0.466 -0.808 0.000) 0.932 7.304 ( -1.919 3.323 0.000) 3.837 7.473 ( 1.644 -2.848 0.000) 3.288 13.152 ( -3.249 5.628 0.000) 6.498 13.460 ( 3.221 -5.579 0.000) 6.442 15.186 ( 0.905 -1.568 0.000) 1.810 15.494 ( -1.290 2.235 0.000) 2.581 15.579 ( 0.664 -1.150 0.000) 1.328 15.893 ( 0.350 -0.606 0.000) 0.700 ======================= Grid point 615 (116/116) ======================= q-point: ( 0.30 0.30 -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 3.34e-04 2.00e-05 2.00e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 1.344 2.328 0.000) 2.688 0.780 ( -1.530 -2.651 0.000) 3.061 1.027 ( 1.918 3.322 -0.000) 3.836 1.176 ( -0.586 -1.015 0.000) 1.172 1.375 ( 0.253 0.439 0.000) 0.507 1.404 ( -2.100 -3.638 0.000) 4.200 2.071 ( -0.313 -0.542 0.000) 0.625 2.131 ( 2.412 4.178 0.000) 4.824 2.139 ( 1.982 3.434 -0.000) 3.965 2.300 ( -0.281 -0.486 -0.000) 0.561 2.320 ( -0.809 -1.401 0.000) 1.617 2.543 ( 0.351 0.607 0.000) 0.701 3.571 ( 2.010 3.481 0.000) 4.020 3.657 ( -1.459 -2.527 0.000) 2.918 4.745 ( 0.401 0.695 0.000) 0.802 5.904 ( 0.236 0.409 0.000) 0.472 6.497 ( 0.773 1.340 0.000) 1.547 6.526 ( -0.155 -0.269 0.000) 0.311 6.991 ( -0.033 -0.057 0.000) 0.066 7.358 ( 1.345 2.330 0.000) 2.691 7.423 ( -0.793 -1.373 0.000) 1.586 13.237 ( 2.957 5.122 0.000) 5.915 13.375 ( -2.581 -4.470 0.000) 5.162 15.171 ( -1.121 -1.941 0.000) 2.241 15.526 ( 0.840 1.455 0.000) 1.680 15.559 ( -0.403 -0.698 0.000) 0.806 15.886 ( -0.303 -0.524 0.000) 0.605 =================== 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 3/27000 10.0 9.073 9.073 10.696 -0.000 -0.000 -0.000 3/27000 20.0 2.325 2.325 2.743 0.000 -0.000 -0.000 3/27000 30.0 1.430 1.430 1.723 0.000 -0.000 -0.000 3/27000 40.0 1.080 1.080 1.378 0.000 -0.000 -0.000 3/27000 50.0 0.889 0.889 1.202 0.000 -0.000 -0.000 3/27000 60.0 0.770 0.770 1.086 0.000 -0.000 -0.000 3/27000 70.0 0.689 0.689 0.996 0.000 -0.000 -0.000 3/27000 80.0 0.630 0.630 0.922 0.000 -0.000 -0.000 3/27000 90.0 0.585 0.585 0.858 0.000 -0.000 -0.000 3/27000 100.0 0.548 0.548 0.804 0.000 0.000 -0.000 3/27000 110.0 0.518 0.518 0.757 0.000 0.000 -0.000 3/27000 120.0 0.492 0.492 0.716 0.000 0.000 -0.000 3/27000 130.0 0.469 0.469 0.680 0.000 0.000 -0.000 3/27000 140.0 0.449 0.449 0.649 0.000 0.000 -0.000 3/27000 150.0 0.431 0.431 0.621 0.000 0.000 -0.000 3/27000 160.0 0.415 0.415 0.596 0.000 0.000 -0.000 3/27000 170.0 0.400 0.400 0.573 0.000 0.000 -0.000 3/27000 180.0 0.386 0.386 0.552 0.000 0.000 -0.000 3/27000 190.0 0.373 0.373 0.533 0.000 0.000 -0.000 3/27000 200.0 0.361 0.361 0.515 0.000 0.000 -0.000 3/27000 210.0 0.349 0.349 0.498 0.000 0.000 -0.000 3/27000 220.0 0.338 0.338 0.483 0.000 0.000 -0.000 3/27000 230.0 0.328 0.328 0.468 0.000 0.000 -0.000 3/27000 240.0 0.319 0.319 0.455 0.000 0.000 -0.000 3/27000 250.0 0.310 0.310 0.442 0.000 0.000 -0.000 3/27000 260.0 0.301 0.301 0.429 0.000 0.000 -0.000 3/27000 270.0 0.293 0.293 0.418 0.000 0.000 -0.000 3/27000 280.0 0.285 0.285 0.407 0.000 0.000 -0.000 3/27000 290.0 0.277 0.277 0.396 0.000 0.000 -0.000 3/27000 300.0 0.270 0.270 0.386 0.000 0.000 -0.000 3/27000 310.0 0.264 0.264 0.377 0.000 0.000 -0.000 3/27000 320.0 0.257 0.257 0.367 0.000 0.000 -0.000 3/27000 330.0 0.251 0.251 0.359 0.000 0.000 -0.000 3/27000 340.0 0.245 0.245 0.350 0.000 0.000 -0.000 3/27000 350.0 0.239 0.239 0.342 0.000 0.000 -0.000 3/27000 360.0 0.234 0.234 0.335 0.000 0.000 -0.000 3/27000 370.0 0.228 0.228 0.327 0.000 0.000 -0.000 3/27000 380.0 0.223 0.223 0.320 0.000 0.000 -0.000 3/27000 390.0 0.219 0.219 0.313 0.000 0.000 -0.000 3/27000 400.0 0.214 0.214 0.307 0.000 0.000 -0.000 3/27000 410.0 0.210 0.210 0.300 0.000 0.000 -0.000 3/27000 420.0 0.205 0.205 0.294 0.000 0.000 -0.000 3/27000 430.0 0.201 0.201 0.289 0.000 0.000 -0.000 3/27000 440.0 0.197 0.197 0.283 0.000 0.000 -0.000 3/27000 450.0 0.193 0.193 0.278 0.000 0.000 -0.000 3/27000 460.0 0.190 0.190 0.272 0.000 0.000 -0.000 3/27000 470.0 0.186 0.186 0.267 0.000 0.000 -0.000 3/27000 480.0 0.183 0.183 0.262 0.000 0.000 -0.000 3/27000 490.0 0.179 0.179 0.258 0.000 0.000 -0.000 3/27000 500.0 0.176 0.176 0.253 0.000 0.000 -0.000 3/27000 510.0 0.173 0.173 0.249 0.000 0.000 -0.000 3/27000 520.0 0.170 0.170 0.244 0.000 0.000 -0.000 3/27000 530.0 0.167 0.167 0.240 0.000 0.000 -0.000 3/27000 540.0 0.164 0.164 0.236 0.000 0.000 -0.000 3/27000 550.0 0.162 0.162 0.232 0.000 0.000 -0.000 3/27000 560.0 0.159 0.159 0.229 0.000 0.000 -0.000 3/27000 570.0 0.156 0.156 0.225 0.000 0.000 -0.000 3/27000 580.0 0.154 0.154 0.222 0.000 0.000 -0.000 3/27000 590.0 0.151 0.151 0.218 0.000 0.000 -0.000 3/27000 600.0 0.149 0.149 0.215 0.000 0.000 -0.000 3/27000 610.0 0.147 0.147 0.212 0.000 0.000 -0.000 3/27000 620.0 0.145 0.145 0.208 0.000 0.000 -0.000 3/27000 630.0 0.143 0.143 0.205 0.000 0.000 -0.000 3/27000 640.0 0.140 0.140 0.202 0.000 0.000 -0.000 3/27000 650.0 0.138 0.138 0.199 0.000 0.000 -0.000 3/27000 660.0 0.136 0.136 0.197 0.000 0.000 -0.000 3/27000 670.0 0.135 0.135 0.194 0.000 0.000 -0.000 3/27000 680.0 0.133 0.133 0.191 0.000 0.000 -0.000 3/27000 690.0 0.131 0.131 0.189 0.000 0.000 -0.000 3/27000 700.0 0.129 0.129 0.186 0.000 0.000 -0.000 3/27000 710.0 0.127 0.127 0.184 0.000 0.000 -0.000 3/27000 720.0 0.126 0.126 0.181 0.000 0.000 -0.000 3/27000 730.0 0.124 0.124 0.179 0.000 0.000 -0.000 3/27000 740.0 0.123 0.123 0.177 0.000 0.000 -0.000 3/27000 750.0 0.121 0.121 0.175 0.000 0.000 -0.000 3/27000 760.0 0.119 0.119 0.172 0.000 0.000 -0.000 3/27000 770.0 0.118 0.118 0.170 0.000 0.000 -0.000 3/27000 780.0 0.117 0.117 0.168 0.000 0.000 -0.000 3/27000 790.0 0.115 0.115 0.166 0.000 0.000 -0.000 3/27000 800.0 0.114 0.114 0.164 0.000 0.000 -0.000 3/27000 810.0 0.112 0.112 0.162 0.000 0.000 -0.000 3/27000 820.0 0.111 0.111 0.160 0.000 0.000 -0.000 3/27000 830.0 0.110 0.110 0.159 0.000 0.000 -0.000 3/27000 840.0 0.109 0.109 0.157 0.000 0.000 -0.000 3/27000 850.0 0.107 0.107 0.155 0.000 0.000 -0.000 3/27000 860.0 0.106 0.106 0.153 0.000 0.000 -0.000 3/27000 870.0 0.105 0.105 0.152 0.000 0.000 -0.000 3/27000 880.0 0.104 0.104 0.150 0.000 0.000 -0.000 3/27000 890.0 0.103 0.103 0.148 0.000 0.000 -0.000 3/27000 900.0 0.102 0.102 0.147 0.000 0.000 -0.000 3/27000 910.0 0.101 0.101 0.145 0.000 0.000 -0.000 3/27000 920.0 0.100 0.100 0.144 0.000 0.000 -0.000 3/27000 930.0 0.098 0.098 0.142 0.000 0.000 -0.000 3/27000 940.0 0.097 0.097 0.141 0.000 0.000 -0.000 3/27000 950.0 0.096 0.096 0.139 0.000 0.000 -0.000 3/27000 960.0 0.096 0.096 0.138 0.000 0.000 -0.000 3/27000 970.0 0.095 0.095 0.137 0.000 0.000 -0.000 3/27000 980.0 0.094 0.094 0.135 0.000 0.000 -0.000 3/27000 990.0 0.093 0.093 0.134 0.000 0.000 -0.000 3/27000 1000.0 0.092 0.092 0.133 0.000 0.000 -0.000 3/27000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:41:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|