----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:26:04]------------------------- Compiled with OpenMP support (max 32 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: [4 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.525351690000000 2.716495715000000 6.598696820000002 b 1.525351690000000 -2.716495715000000 6.598696820000002 c 1.525351690000000 2.716495715000000 -6.598696820000002 Atomic positions (fractional): *1 O 0.86851861743460 0.11430307708945 0.75421554034516 15.999 2 O 0.13148138256540 0.88569692291055 0.24578445965484 15.999 3 O 0.63991246325571 0.88569692291055 0.75421554034516 15.999 4 O 0.36008753674429 0.11430307708945 0.24578445965484 15.999 *5 Na 0.29774290073098 0.29774290073098 0.00000000000000 22.990 6 Na 0.70225709926902 0.70225709926902 0.00000000000000 22.990 *7 Pd 0.10498652667549 0.60498652667549 0.50000000000000 106.420 8 Pd 0.89501347332451 0.39501347332451 0.50000000000000 106.420 *9 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.050703380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.432991430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.197393640000003 Atomic positions (fractional): *1 O 0.00000000000000 0.75421554034516 0.11430307708945 15.999 > 1 2 O 0.50000000000000 0.74578445965484 0.38569692291055 15.999 > 2 3 O 0.50000000000000 0.25421554034516 0.38569692291055 15.999 > 3 4 O 0.00000000000000 0.24578445965484 0.11430307708945 15.999 > 4 5 O 0.50000000000000 0.25421554034516 0.61430307708945 15.999 > 1 6 O 0.00000000000000 0.24578445965484 0.88569692291055 15.999 > 2 7 O 0.00000000000000 0.75421554034516 0.88569692291055 15.999 > 3 8 O 0.50000000000000 0.74578445965484 0.61430307708945 15.999 > 4 *9 Na 0.00000000000000 0.00000000000000 0.29774290073098 22.990 > 5 10 Na 0.50000000000000 0.50000000000000 0.20225709926902 22.990 > 6 11 Na 0.50000000000000 0.50000000000000 0.79774290073098 22.990 > 5 12 Na 0.00000000000000 0.00000000000000 0.70225709926902 22.990 > 6 *13 Pd 0.50000000000000 0.00000000000000 0.10498652667549 106.420 > 7 14 Pd 0.00000000000000 0.50000000000000 0.39501347332451 106.420 > 8 *15 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 9 16 Pd 0.00000000000000 0.50000000000000 0.60498652667549 106.420 > 7 17 Pd 0.50000000000000 0.00000000000000 0.89501347332451 106.420 > 8 18 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.202813519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.865982860000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.197393640000003 Atomic positions (fractional): *1 O 0.00000000000000 0.37710777017258 0.11430307708945 15.999 > 1 2 O 0.25000000000000 0.37710777017258 0.11430307708945 15.999 > 1 3 O 0.50000000000000 0.37710777017258 0.11430307708945 15.999 > 1 4 O 0.75000000000000 0.37710777017258 0.11430307708945 15.999 > 1 5 O 0.00000000000000 0.87710777017258 0.11430307708945 15.999 > 1 6 O 0.25000000000000 0.87710777017258 0.11430307708945 15.999 > 1 7 O 0.50000000000000 0.87710777017258 0.11430307708945 15.999 > 1 8 O 0.75000000000000 0.87710777017258 0.11430307708945 15.999 > 1 9 O 0.12500000000000 0.37289222982742 0.38569692291055 15.999 > 2 10 O 0.37500000000000 0.37289222982742 0.38569692291055 15.999 > 2 11 O 0.62500000000000 0.37289222982742 0.38569692291055 15.999 > 2 12 O 0.87500000000000 0.37289222982742 0.38569692291055 15.999 > 2 13 O 0.12500000000000 0.87289222982742 0.38569692291055 15.999 > 2 14 O 0.37500000000000 0.87289222982742 0.38569692291055 15.999 > 2 15 O 0.62500000000000 0.87289222982742 0.38569692291055 15.999 > 2 16 O 0.87500000000000 0.87289222982742 0.38569692291055 15.999 > 2 17 O 0.12500000000000 0.12710777017258 0.38569692291055 15.999 > 3 18 O 0.37500000000000 0.12710777017258 0.38569692291055 15.999 > 3 19 O 0.62500000000000 0.12710777017258 0.38569692291055 15.999 > 3 20 O 0.87500000000000 0.12710777017258 0.38569692291055 15.999 > 3 21 O 0.12500000000000 0.62710777017258 0.38569692291055 15.999 > 3 22 O 0.37500000000000 0.62710777017258 0.38569692291055 15.999 > 3 23 O 0.62500000000000 0.62710777017258 0.38569692291055 15.999 > 3 24 O 0.87500000000000 0.62710777017258 0.38569692291055 15.999 > 3 25 O 0.00000000000000 0.12289222982742 0.11430307708945 15.999 > 4 26 O 0.25000000000000 0.12289222982742 0.11430307708945 15.999 > 4 27 O 0.50000000000000 0.12289222982742 0.11430307708945 15.999 > 4 28 O 0.75000000000000 0.12289222982742 0.11430307708945 15.999 > 4 29 O 0.00000000000000 0.62289222982742 0.11430307708945 15.999 > 4 30 O 0.25000000000000 0.62289222982742 0.11430307708945 15.999 > 4 31 O 0.50000000000000 0.62289222982742 0.11430307708945 15.999 > 4 32 O 0.75000000000000 0.62289222982742 0.11430307708945 15.999 > 4 33 O 0.12500000000000 0.12710777017258 0.61430307708945 15.999 > 1 34 O 0.37500000000000 0.12710777017258 0.61430307708945 15.999 > 1 35 O 0.62500000000000 0.12710777017258 0.61430307708945 15.999 > 1 36 O 0.87500000000000 0.12710777017258 0.61430307708945 15.999 > 1 37 O 0.12500000000000 0.62710777017258 0.61430307708945 15.999 > 1 38 O 0.37500000000000 0.62710777017258 0.61430307708945 15.999 > 1 39 O 0.62500000000000 0.62710777017258 0.61430307708945 15.999 > 1 40 O 0.87500000000000 0.62710777017258 0.61430307708945 15.999 > 1 41 O 0.00000000000000 0.12289222982742 0.88569692291055 15.999 > 2 42 O 0.25000000000000 0.12289222982742 0.88569692291055 15.999 > 2 43 O 0.50000000000000 0.12289222982742 0.88569692291055 15.999 > 2 44 O 0.75000000000000 0.12289222982742 0.88569692291055 15.999 > 2 45 O 0.00000000000000 0.62289222982742 0.88569692291055 15.999 > 2 46 O 0.25000000000000 0.62289222982742 0.88569692291055 15.999 > 2 47 O 0.50000000000000 0.62289222982742 0.88569692291055 15.999 > 2 48 O 0.75000000000000 0.62289222982742 0.88569692291055 15.999 > 2 49 O 0.00000000000000 0.37710777017258 0.88569692291055 15.999 > 3 50 O 0.25000000000000 0.37710777017258 0.88569692291055 15.999 > 3 51 O 0.50000000000000 0.37710777017258 0.88569692291055 15.999 > 3 52 O 0.75000000000000 0.37710777017258 0.88569692291055 15.999 > 3 53 O 0.00000000000000 0.87710777017258 0.88569692291055 15.999 > 3 54 O 0.25000000000000 0.87710777017258 0.88569692291055 15.999 > 3 55 O 0.50000000000000 0.87710777017258 0.88569692291055 15.999 > 3 56 O 0.75000000000000 0.87710777017258 0.88569692291055 15.999 > 3 57 O 0.12500000000000 0.37289222982742 0.61430307708945 15.999 > 4 58 O 0.37500000000000 0.37289222982742 0.61430307708945 15.999 > 4 59 O 0.62500000000000 0.37289222982742 0.61430307708945 15.999 > 4 60 O 0.87500000000000 0.37289222982742 0.61430307708945 15.999 > 4 61 O 0.12500000000000 0.87289222982742 0.61430307708945 15.999 > 4 62 O 0.37500000000000 0.87289222982742 0.61430307708945 15.999 > 4 63 O 0.62500000000000 0.87289222982742 0.61430307708945 15.999 > 4 64 O 0.87500000000000 0.87289222982742 0.61430307708945 15.999 > 4 *65 Na 0.00000000000000 0.00000000000000 0.29774290073098 22.990 > 5 66 Na 0.25000000000000 0.00000000000000 0.29774290073098 22.990 > 5 67 Na 0.50000000000000 0.00000000000000 0.29774290073098 22.990 > 5 68 Na 0.75000000000000 0.00000000000000 0.29774290073098 22.990 > 5 69 Na 0.00000000000000 0.50000000000000 0.29774290073098 22.990 > 5 70 Na 0.25000000000000 0.50000000000000 0.29774290073098 22.990 > 5 71 Na 0.50000000000000 0.50000000000000 0.29774290073098 22.990 > 5 72 Na 0.75000000000000 0.50000000000000 0.29774290073098 22.990 > 5 73 Na 0.12500000000000 0.25000000000000 0.20225709926902 22.990 > 6 74 Na 0.37500000000000 0.25000000000000 0.20225709926902 22.990 > 6 75 Na 0.62500000000000 0.25000000000000 0.20225709926902 22.990 > 6 76 Na 0.87500000000000 0.25000000000000 0.20225709926902 22.990 > 6 77 Na 0.12500000000000 0.75000000000000 0.20225709926902 22.990 > 6 78 Na 0.37500000000000 0.75000000000000 0.20225709926902 22.990 > 6 79 Na 0.62500000000000 0.75000000000000 0.20225709926902 22.990 > 6 80 Na 0.87500000000000 0.75000000000000 0.20225709926902 22.990 > 6 81 Na 0.12500000000000 0.25000000000000 0.79774290073098 22.990 > 5 82 Na 0.37500000000000 0.25000000000000 0.79774290073098 22.990 > 5 83 Na 0.62500000000000 0.25000000000000 0.79774290073098 22.990 > 5 84 Na 0.87500000000000 0.25000000000000 0.79774290073098 22.990 > 5 85 Na 0.12500000000000 0.75000000000000 0.79774290073098 22.990 > 5 86 Na 0.37500000000000 0.75000000000000 0.79774290073098 22.990 > 5 87 Na 0.62500000000000 0.75000000000000 0.79774290073098 22.990 > 5 88 Na 0.87500000000000 0.75000000000000 0.79774290073098 22.990 > 5 89 Na 0.00000000000000 0.00000000000000 0.70225709926902 22.990 > 6 90 Na 0.25000000000000 0.00000000000000 0.70225709926902 22.990 > 6 91 Na 0.50000000000000 0.00000000000000 0.70225709926902 22.990 > 6 92 Na 0.75000000000000 0.00000000000000 0.70225709926902 22.990 > 6 93 Na 0.00000000000000 0.50000000000000 0.70225709926902 22.990 > 6 94 Na 0.25000000000000 0.50000000000000 0.70225709926902 22.990 > 6 95 Na 0.50000000000000 0.50000000000000 0.70225709926902 22.990 > 6 96 Na 0.75000000000000 0.50000000000000 0.70225709926902 22.990 > 6 *97 Pd 0.12500000000000 0.00000000000000 0.10498652667549 106.420 > 7 98 Pd 0.37500000000000 0.00000000000000 0.10498652667549 106.420 > 7 99 Pd 0.62500000000000 0.00000000000000 0.10498652667549 106.420 > 7 100 Pd 0.87500000000000 0.00000000000000 0.10498652667549 106.420 > 7 101 Pd 0.12500000000000 0.50000000000000 0.10498652667549 106.420 > 7 102 Pd 0.37500000000000 0.50000000000000 0.10498652667549 106.420 > 7 103 Pd 0.62500000000000 0.50000000000000 0.10498652667549 106.420 > 7 104 Pd 0.87500000000000 0.50000000000000 0.10498652667549 106.420 > 7 105 Pd 0.00000000000000 0.25000000000000 0.39501347332451 106.420 > 8 106 Pd 0.25000000000000 0.25000000000000 0.39501347332451 106.420 > 8 107 Pd 0.50000000000000 0.25000000000000 0.39501347332451 106.420 > 8 108 Pd 0.75000000000000 0.25000000000000 0.39501347332451 106.420 > 8 109 Pd 0.00000000000000 0.75000000000000 0.39501347332451 106.420 > 8 110 Pd 0.25000000000000 0.75000000000000 0.39501347332451 106.420 > 8 111 Pd 0.50000000000000 0.75000000000000 0.39501347332451 106.420 > 8 112 Pd 0.75000000000000 0.75000000000000 0.39501347332451 106.420 > 8 *113 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 9 114 Pd 0.25000000000000 0.25000000000000 0.00000000000000 106.420 > 9 115 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 9 116 Pd 0.75000000000000 0.25000000000000 0.00000000000000 106.420 > 9 117 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 9 118 Pd 0.25000000000000 0.75000000000000 0.00000000000000 106.420 > 9 119 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 9 120 Pd 0.75000000000000 0.75000000000000 0.00000000000000 106.420 > 9 121 Pd 0.00000000000000 0.25000000000000 0.60498652667549 106.420 > 7 122 Pd 0.25000000000000 0.25000000000000 0.60498652667549 106.420 > 7 123 Pd 0.50000000000000 0.25000000000000 0.60498652667549 106.420 > 7 124 Pd 0.75000000000000 0.25000000000000 0.60498652667549 106.420 > 7 125 Pd 0.00000000000000 0.75000000000000 0.60498652667549 106.420 > 7 126 Pd 0.25000000000000 0.75000000000000 0.60498652667549 106.420 > 7 127 Pd 0.50000000000000 0.75000000000000 0.60498652667549 106.420 > 7 128 Pd 0.75000000000000 0.75000000000000 0.60498652667549 106.420 > 7 129 Pd 0.12500000000000 0.00000000000000 0.89501347332451 106.420 > 8 130 Pd 0.37500000000000 0.00000000000000 0.89501347332451 106.420 > 8 131 Pd 0.62500000000000 0.00000000000000 0.89501347332451 106.420 > 8 132 Pd 0.87500000000000 0.00000000000000 0.89501347332451 106.420 > 8 133 Pd 0.12500000000000 0.50000000000000 0.89501347332451 106.420 > 8 134 Pd 0.37500000000000 0.50000000000000 0.89501347332451 106.420 > 8 135 Pd 0.62500000000000 0.50000000000000 0.89501347332451 106.420 > 8 136 Pd 0.87500000000000 0.50000000000000 0.89501347332451 106.420 > 8 137 Pd 0.12500000000000 0.00000000000000 0.50000000000000 106.420 > 9 138 Pd 0.37500000000000 0.00000000000000 0.50000000000000 106.420 > 9 139 Pd 0.62500000000000 0.00000000000000 0.50000000000000 106.420 > 9 140 Pd 0.87500000000000 0.00000000000000 0.50000000000000 106.420 > 9 141 Pd 0.12500000000000 0.50000000000000 0.50000000000000 106.420 > 9 142 Pd 0.37500000000000 0.50000000000000 0.50000000000000 106.420 > 9 143 Pd 0.62500000000000 0.50000000000000 0.50000000000000 106.420 > 9 144 Pd 0.87500000000000 0.50000000000000 0.50000000000000 106.420 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.1875239 0.0000000 0.0000000 0.0000000 12.7553723 0.0000000 0.0000000 0.0000000 5.3141544 -------------------------- Born effective charges -------------------------- 1 O -2.0763996 0.0000000 0.0000000 0.0000000 -1.7147759 -0.4937590 0.0000000 0.1351207 -0.6716299 2 O -2.0763996 0.0000000 0.0000000 0.0000000 -1.7147759 -0.4937590 0.0000000 0.1351207 -0.6716299 3 O -2.0763996 0.0000000 0.0000000 0.0000000 -1.7147759 0.4937590 0.0000000 -0.1351207 -0.6716299 4 O -2.0763996 0.0000000 0.0000000 0.0000000 -1.7147759 0.4937590 0.0000000 -0.1351207 -0.6716299 5 Na 1.0122043 0.0000000 0.0000000 0.0000000 1.1503321 0.0000000 0.0000000 0.0000000 1.7643484 6 Na 1.0122043 0.0000000 0.0000000 0.0000000 1.1503321 0.0000000 0.0000000 0.0000000 1.7643484 7 Pd 3.4570716 0.0000000 0.0000000 0.0000000 1.1316498 0.0000000 0.0000000 0.0000000 -0.8833507 8 Pd 3.4570716 0.0000000 0.0000000 0.0000000 1.1316498 0.0000000 0.0000000 0.0000000 -0.8833507 9 Pd -0.6329536 0.0000000 0.0000000 0.0000000 2.2951400 0.0000000 0.0000000 0.0000000 0.9245243 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 7146/7146 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 877 Number of blocks in projector: 881 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 155 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 155 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 155 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (877, 863), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (102, 102), data: True |-- (138, 138), data: True |-- (155, 151), data: True |-- (155, 151), data: True |-- (155, 151), data: True |-- (170, 168), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 160 - Time: 0.286 Solver_block: 160 / 160 - Time: 0.197 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.501 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 7146/7146 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 877 Number of blocks in projector: 881 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 155 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 155 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 155 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (877, 863), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (102, 102), data: True |-- (138, 138), data: True |-- (155, 151), data: True |-- (155, 151), data: True |-- (155, 151), data: True |-- (170, 168), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:26:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:26:14]------------------------- Compiled with OpenMP support (max 32 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): [4 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.525351690000000 2.716495715000000 6.598696820000002 b 1.525351690000000 -2.716495715000000 6.598696820000002 c 1.525351690000000 2.716495715000000 -6.598696820000002 Atomic positions (fractional): 1 O 0.86851861743460 0.11430307708945 0.75421554034516 15.999 2 O 0.13148138256540 0.88569692291055 0.24578445965484 15.999 3 O 0.63991246325571 0.88569692291055 0.75421554034516 15.999 4 O 0.36008753674429 0.11430307708945 0.24578445965484 15.999 5 Na 0.29774290073098 0.29774290073098 0.00000000000000 22.990 6 Na 0.70225709926902 0.70225709926902 0.00000000000000 22.990 7 Pd 0.10498652667549 0.60498652667549 0.50000000000000 106.420 8 Pd 0.89501347332451 0.39501347332451 0.50000000000000 106.420 9 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.202813519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.865982860000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.197393640000003 Atomic positions (fractional): 1 O 0.00000000000000 0.37710777017258 0.11430307708945 15.999 > 1 2 O 0.25000000000000 0.37710777017258 0.11430307708945 15.999 > 1 3 O 0.50000000000000 0.37710777017258 0.11430307708945 15.999 > 1 4 O 0.75000000000000 0.37710777017258 0.11430307708945 15.999 > 1 5 O 0.00000000000000 0.87710777017258 0.11430307708945 15.999 > 1 6 O 0.25000000000000 0.87710777017258 0.11430307708945 15.999 > 1 7 O 0.50000000000000 0.87710777017258 0.11430307708945 15.999 > 1 8 O 0.75000000000000 0.87710777017258 0.11430307708945 15.999 > 1 9 O 0.12500000000000 0.37289222982742 0.38569692291055 15.999 > 9 10 O 0.37500000000000 0.37289222982742 0.38569692291055 15.999 > 9 11 O 0.62500000000000 0.37289222982742 0.38569692291055 15.999 > 9 12 O 0.87500000000000 0.37289222982742 0.38569692291055 15.999 > 9 13 O 0.12500000000000 0.87289222982742 0.38569692291055 15.999 > 9 14 O 0.37500000000000 0.87289222982742 0.38569692291055 15.999 > 9 15 O 0.62500000000000 0.87289222982742 0.38569692291055 15.999 > 9 16 O 0.87500000000000 0.87289222982742 0.38569692291055 15.999 > 9 17 O 0.12500000000000 0.12710777017258 0.38569692291055 15.999 > 17 18 O 0.37500000000000 0.12710777017258 0.38569692291055 15.999 > 17 19 O 0.62500000000000 0.12710777017258 0.38569692291055 15.999 > 17 20 O 0.87500000000000 0.12710777017258 0.38569692291055 15.999 > 17 21 O 0.12500000000000 0.62710777017258 0.38569692291055 15.999 > 17 22 O 0.37500000000000 0.62710777017258 0.38569692291055 15.999 > 17 23 O 0.62500000000000 0.62710777017258 0.38569692291055 15.999 > 17 24 O 0.87500000000000 0.62710777017258 0.38569692291055 15.999 > 17 25 O 0.00000000000000 0.12289222982742 0.11430307708945 15.999 > 25 26 O 0.25000000000000 0.12289222982742 0.11430307708945 15.999 > 25 27 O 0.50000000000000 0.12289222982742 0.11430307708945 15.999 > 25 28 O 0.75000000000000 0.12289222982742 0.11430307708945 15.999 > 25 29 O 0.00000000000000 0.62289222982742 0.11430307708945 15.999 > 25 30 O 0.25000000000000 0.62289222982742 0.11430307708945 15.999 > 25 31 O 0.50000000000000 0.62289222982742 0.11430307708945 15.999 > 25 32 O 0.75000000000000 0.62289222982742 0.11430307708945 15.999 > 25 33 O 0.12500000000000 0.12710777017258 0.61430307708945 15.999 > 1 34 O 0.37500000000000 0.12710777017258 0.61430307708945 15.999 > 1 35 O 0.62500000000000 0.12710777017258 0.61430307708945 15.999 > 1 36 O 0.87500000000000 0.12710777017258 0.61430307708945 15.999 > 1 37 O 0.12500000000000 0.62710777017258 0.61430307708945 15.999 > 1 38 O 0.37500000000000 0.62710777017258 0.61430307708945 15.999 > 1 39 O 0.62500000000000 0.62710777017258 0.61430307708945 15.999 > 1 40 O 0.87500000000000 0.62710777017258 0.61430307708945 15.999 > 1 41 O 0.00000000000000 0.12289222982742 0.88569692291055 15.999 > 9 42 O 0.25000000000000 0.12289222982742 0.88569692291055 15.999 > 9 43 O 0.50000000000000 0.12289222982742 0.88569692291055 15.999 > 9 44 O 0.75000000000000 0.12289222982742 0.88569692291055 15.999 > 9 45 O 0.00000000000000 0.62289222982742 0.88569692291055 15.999 > 9 46 O 0.25000000000000 0.62289222982742 0.88569692291055 15.999 > 9 47 O 0.50000000000000 0.62289222982742 0.88569692291055 15.999 > 9 48 O 0.75000000000000 0.62289222982742 0.88569692291055 15.999 > 9 49 O 0.00000000000000 0.37710777017258 0.88569692291055 15.999 > 17 50 O 0.25000000000000 0.37710777017258 0.88569692291055 15.999 > 17 51 O 0.50000000000000 0.37710777017258 0.88569692291055 15.999 > 17 52 O 0.75000000000000 0.37710777017258 0.88569692291055 15.999 > 17 53 O 0.00000000000000 0.87710777017258 0.88569692291055 15.999 > 17 54 O 0.25000000000000 0.87710777017258 0.88569692291055 15.999 > 17 55 O 0.50000000000000 0.87710777017258 0.88569692291055 15.999 > 17 56 O 0.75000000000000 0.87710777017258 0.88569692291055 15.999 > 17 57 O 0.12500000000000 0.37289222982742 0.61430307708945 15.999 > 25 58 O 0.37500000000000 0.37289222982742 0.61430307708945 15.999 > 25 59 O 0.62500000000000 0.37289222982742 0.61430307708945 15.999 > 25 60 O 0.87500000000000 0.37289222982742 0.61430307708945 15.999 > 25 61 O 0.12500000000000 0.87289222982742 0.61430307708945 15.999 > 25 62 O 0.37500000000000 0.87289222982742 0.61430307708945 15.999 > 25 63 O 0.62500000000000 0.87289222982742 0.61430307708945 15.999 > 25 64 O 0.87500000000000 0.87289222982742 0.61430307708945 15.999 > 25 65 Na 0.00000000000000 0.00000000000000 0.29774290073098 22.990 > 65 66 Na 0.25000000000000 0.00000000000000 0.29774290073098 22.990 > 65 67 Na 0.50000000000000 0.00000000000000 0.29774290073098 22.990 > 65 68 Na 0.75000000000000 0.00000000000000 0.29774290073098 22.990 > 65 69 Na 0.00000000000000 0.50000000000000 0.29774290073098 22.990 > 65 70 Na 0.25000000000000 0.50000000000000 0.29774290073098 22.990 > 65 71 Na 0.50000000000000 0.50000000000000 0.29774290073098 22.990 > 65 72 Na 0.75000000000000 0.50000000000000 0.29774290073098 22.990 > 65 73 Na 0.12500000000000 0.25000000000000 0.20225709926902 22.990 > 73 74 Na 0.37500000000000 0.25000000000000 0.20225709926902 22.990 > 73 75 Na 0.62500000000000 0.25000000000000 0.20225709926902 22.990 > 73 76 Na 0.87500000000000 0.25000000000000 0.20225709926902 22.990 > 73 77 Na 0.12500000000000 0.75000000000000 0.20225709926902 22.990 > 73 78 Na 0.37500000000000 0.75000000000000 0.20225709926902 22.990 > 73 79 Na 0.62500000000000 0.75000000000000 0.20225709926902 22.990 > 73 80 Na 0.87500000000000 0.75000000000000 0.20225709926902 22.990 > 73 81 Na 0.12500000000000 0.25000000000000 0.79774290073098 22.990 > 65 82 Na 0.37500000000000 0.25000000000000 0.79774290073098 22.990 > 65 83 Na 0.62500000000000 0.25000000000000 0.79774290073098 22.990 > 65 84 Na 0.87500000000000 0.25000000000000 0.79774290073098 22.990 > 65 85 Na 0.12500000000000 0.75000000000000 0.79774290073098 22.990 > 65 86 Na 0.37500000000000 0.75000000000000 0.79774290073098 22.990 > 65 87 Na 0.62500000000000 0.75000000000000 0.79774290073098 22.990 > 65 88 Na 0.87500000000000 0.75000000000000 0.79774290073098 22.990 > 65 89 Na 0.00000000000000 0.00000000000000 0.70225709926902 22.990 > 73 90 Na 0.25000000000000 0.00000000000000 0.70225709926902 22.990 > 73 91 Na 0.50000000000000 0.00000000000000 0.70225709926902 22.990 > 73 92 Na 0.75000000000000 0.00000000000000 0.70225709926902 22.990 > 73 93 Na 0.00000000000000 0.50000000000000 0.70225709926902 22.990 > 73 94 Na 0.25000000000000 0.50000000000000 0.70225709926902 22.990 > 73 95 Na 0.50000000000000 0.50000000000000 0.70225709926902 22.990 > 73 96 Na 0.75000000000000 0.50000000000000 0.70225709926902 22.990 > 73 97 Pd 0.12500000000000 0.00000000000000 0.10498652667549 106.420 > 97 98 Pd 0.37500000000000 0.00000000000000 0.10498652667549 106.420 > 97 99 Pd 0.62500000000000 0.00000000000000 0.10498652667549 106.420 > 97 100 Pd 0.87500000000000 0.00000000000000 0.10498652667549 106.420 > 97 101 Pd 0.12500000000000 0.50000000000000 0.10498652667549 106.420 > 97 102 Pd 0.37500000000000 0.50000000000000 0.10498652667549 106.420 > 97 103 Pd 0.62500000000000 0.50000000000000 0.10498652667549 106.420 > 97 104 Pd 0.87500000000000 0.50000000000000 0.10498652667549 106.420 > 97 105 Pd 0.00000000000000 0.25000000000000 0.39501347332451 106.420 > 105 106 Pd 0.25000000000000 0.25000000000000 0.39501347332451 106.420 > 105 107 Pd 0.50000000000000 0.25000000000000 0.39501347332451 106.420 > 105 108 Pd 0.75000000000000 0.25000000000000 0.39501347332451 106.420 > 105 109 Pd 0.00000000000000 0.75000000000000 0.39501347332451 106.420 > 105 110 Pd 0.25000000000000 0.75000000000000 0.39501347332451 106.420 > 105 111 Pd 0.50000000000000 0.75000000000000 0.39501347332451 106.420 > 105 112 Pd 0.75000000000000 0.75000000000000 0.39501347332451 106.420 > 105 113 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 113 114 Pd 0.25000000000000 0.25000000000000 0.00000000000000 106.420 > 113 115 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 113 116 Pd 0.75000000000000 0.25000000000000 0.00000000000000 106.420 > 113 117 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 113 118 Pd 0.25000000000000 0.75000000000000 0.00000000000000 106.420 > 113 119 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 113 120 Pd 0.75000000000000 0.75000000000000 0.00000000000000 106.420 > 113 121 Pd 0.00000000000000 0.25000000000000 0.60498652667549 106.420 > 97 122 Pd 0.25000000000000 0.25000000000000 0.60498652667549 106.420 > 97 123 Pd 0.50000000000000 0.25000000000000 0.60498652667549 106.420 > 97 124 Pd 0.75000000000000 0.25000000000000 0.60498652667549 106.420 > 97 125 Pd 0.00000000000000 0.75000000000000 0.60498652667549 106.420 > 97 126 Pd 0.25000000000000 0.75000000000000 0.60498652667549 106.420 > 97 127 Pd 0.50000000000000 0.75000000000000 0.60498652667549 106.420 > 97 128 Pd 0.75000000000000 0.75000000000000 0.60498652667549 106.420 > 97 129 Pd 0.12500000000000 0.00000000000000 0.89501347332451 106.420 > 105 130 Pd 0.37500000000000 0.00000000000000 0.89501347332451 106.420 > 105 131 Pd 0.62500000000000 0.00000000000000 0.89501347332451 106.420 > 105 132 Pd 0.87500000000000 0.00000000000000 0.89501347332451 106.420 > 105 133 Pd 0.12500000000000 0.50000000000000 0.89501347332451 106.420 > 105 134 Pd 0.37500000000000 0.50000000000000 0.89501347332451 106.420 > 105 135 Pd 0.62500000000000 0.50000000000000 0.89501347332451 106.420 > 105 136 Pd 0.87500000000000 0.50000000000000 0.89501347332451 106.420 > 105 137 Pd 0.12500000000000 0.00000000000000 0.50000000000000 106.420 > 113 138 Pd 0.37500000000000 0.00000000000000 0.50000000000000 106.420 > 113 139 Pd 0.62500000000000 0.00000000000000 0.50000000000000 106.420 > 113 140 Pd 0.87500000000000 0.00000000000000 0.50000000000000 106.420 > 113 141 Pd 0.12500000000000 0.50000000000000 0.50000000000000 106.420 > 113 142 Pd 0.37500000000000 0.50000000000000 0.50000000000000 106.420 > 113 143 Pd 0.62500000000000 0.50000000000000 0.50000000000000 106.420 > 113 144 Pd 0.87500000000000 0.50000000000000 0.50000000000000 106.420 > 113 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.1875239 0.0000000 0.0000000 0.0000000 12.7553723 0.0000000 0.0000000 0.0000000 5.3141544 -------------------------- Born effective charges -------------------------- 1 O -2.0763996 0.0000000 0.0000000 0.0000000 -1.7147759 -0.4937590 0.0000000 0.1351207 -0.6716299 2 O -2.0763996 0.0000000 0.0000000 0.0000000 -1.7147759 -0.4937590 0.0000000 0.1351207 -0.6716299 3 O -2.0763996 0.0000000 0.0000000 0.0000000 -1.7147759 0.4937590 0.0000000 -0.1351207 -0.6716299 4 O -2.0763996 0.0000000 0.0000000 0.0000000 -1.7147759 0.4937590 0.0000000 -0.1351207 -0.6716299 5 Na 1.0122043 0.0000000 0.0000000 0.0000000 1.1503321 0.0000000 0.0000000 0.0000000 1.7643484 6 Na 1.0122043 0.0000000 0.0000000 0.0000000 1.1503321 0.0000000 0.0000000 0.0000000 1.7643484 7 Pd 3.4570716 0.0000000 0.0000000 0.0000000 1.1316498 0.0000000 0.0000000 0.0000000 -0.8833507 8 Pd 3.4570716 0.0000000 0.0000000 0.0000000 1.1316498 0.0000000 0.0000000 0.0000000 -0.8833507 9 Pd -0.6329536 0.0000000 0.0000000 0.0000000 2.2951400 0.0000000 0.0000000 0.0000000 0.9245243 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) 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 2026-01-08 06:26:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:26:30]------------------------- Compiled with OpenMP support (max 32 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): [4 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.525351690000000 2.716495715000000 6.598696820000002 b 1.525351690000000 -2.716495715000000 6.598696820000002 c 1.525351690000000 2.716495715000000 -6.598696820000002 Atomic positions (fractional): 1 O 0.86851861743460 0.11430307708945 0.75421554034516 15.999 2 O 0.13148138256540 0.88569692291055 0.24578445965484 15.999 3 O 0.63991246325571 0.88569692291055 0.75421554034516 15.999 4 O 0.36008753674429 0.11430307708945 0.24578445965484 15.999 5 Na 0.29774290073098 0.29774290073098 0.00000000000000 22.990 6 Na 0.70225709926902 0.70225709926902 0.00000000000000 22.990 7 Pd 0.10498652667549 0.60498652667549 0.50000000000000 106.420 8 Pd 0.89501347332451 0.39501347332451 0.50000000000000 106.420 9 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.202813519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.865982860000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.197393640000003 Atomic positions (fractional): 1 O 0.00000000000000 0.37710777017258 0.11430307708945 15.999 > 1 2 O 0.25000000000000 0.37710777017258 0.11430307708945 15.999 > 1 3 O 0.50000000000000 0.37710777017258 0.11430307708945 15.999 > 1 4 O 0.75000000000000 0.37710777017258 0.11430307708945 15.999 > 1 5 O 0.00000000000000 0.87710777017258 0.11430307708945 15.999 > 1 6 O 0.25000000000000 0.87710777017258 0.11430307708945 15.999 > 1 7 O 0.50000000000000 0.87710777017258 0.11430307708945 15.999 > 1 8 O 0.75000000000000 0.87710777017258 0.11430307708945 15.999 > 1 9 O 0.12500000000000 0.37289222982742 0.38569692291055 15.999 > 9 10 O 0.37500000000000 0.37289222982742 0.38569692291055 15.999 > 9 11 O 0.62500000000000 0.37289222982742 0.38569692291055 15.999 > 9 12 O 0.87500000000000 0.37289222982742 0.38569692291055 15.999 > 9 13 O 0.12500000000000 0.87289222982742 0.38569692291055 15.999 > 9 14 O 0.37500000000000 0.87289222982742 0.38569692291055 15.999 > 9 15 O 0.62500000000000 0.87289222982742 0.38569692291055 15.999 > 9 16 O 0.87500000000000 0.87289222982742 0.38569692291055 15.999 > 9 17 O 0.12500000000000 0.12710777017258 0.38569692291055 15.999 > 17 18 O 0.37500000000000 0.12710777017258 0.38569692291055 15.999 > 17 19 O 0.62500000000000 0.12710777017258 0.38569692291055 15.999 > 17 20 O 0.87500000000000 0.12710777017258 0.38569692291055 15.999 > 17 21 O 0.12500000000000 0.62710777017258 0.38569692291055 15.999 > 17 22 O 0.37500000000000 0.62710777017258 0.38569692291055 15.999 > 17 23 O 0.62500000000000 0.62710777017258 0.38569692291055 15.999 > 17 24 O 0.87500000000000 0.62710777017258 0.38569692291055 15.999 > 17 25 O 0.00000000000000 0.12289222982742 0.11430307708945 15.999 > 25 26 O 0.25000000000000 0.12289222982742 0.11430307708945 15.999 > 25 27 O 0.50000000000000 0.12289222982742 0.11430307708945 15.999 > 25 28 O 0.75000000000000 0.12289222982742 0.11430307708945 15.999 > 25 29 O 0.00000000000000 0.62289222982742 0.11430307708945 15.999 > 25 30 O 0.25000000000000 0.62289222982742 0.11430307708945 15.999 > 25 31 O 0.50000000000000 0.62289222982742 0.11430307708945 15.999 > 25 32 O 0.75000000000000 0.62289222982742 0.11430307708945 15.999 > 25 33 O 0.12500000000000 0.12710777017258 0.61430307708945 15.999 > 1 34 O 0.37500000000000 0.12710777017258 0.61430307708945 15.999 > 1 35 O 0.62500000000000 0.12710777017258 0.61430307708945 15.999 > 1 36 O 0.87500000000000 0.12710777017258 0.61430307708945 15.999 > 1 37 O 0.12500000000000 0.62710777017258 0.61430307708945 15.999 > 1 38 O 0.37500000000000 0.62710777017258 0.61430307708945 15.999 > 1 39 O 0.62500000000000 0.62710777017258 0.61430307708945 15.999 > 1 40 O 0.87500000000000 0.62710777017258 0.61430307708945 15.999 > 1 41 O 0.00000000000000 0.12289222982742 0.88569692291055 15.999 > 9 42 O 0.25000000000000 0.12289222982742 0.88569692291055 15.999 > 9 43 O 0.50000000000000 0.12289222982742 0.88569692291055 15.999 > 9 44 O 0.75000000000000 0.12289222982742 0.88569692291055 15.999 > 9 45 O 0.00000000000000 0.62289222982742 0.88569692291055 15.999 > 9 46 O 0.25000000000000 0.62289222982742 0.88569692291055 15.999 > 9 47 O 0.50000000000000 0.62289222982742 0.88569692291055 15.999 > 9 48 O 0.75000000000000 0.62289222982742 0.88569692291055 15.999 > 9 49 O 0.00000000000000 0.37710777017258 0.88569692291055 15.999 > 17 50 O 0.25000000000000 0.37710777017258 0.88569692291055 15.999 > 17 51 O 0.50000000000000 0.37710777017258 0.88569692291055 15.999 > 17 52 O 0.75000000000000 0.37710777017258 0.88569692291055 15.999 > 17 53 O 0.00000000000000 0.87710777017258 0.88569692291055 15.999 > 17 54 O 0.25000000000000 0.87710777017258 0.88569692291055 15.999 > 17 55 O 0.50000000000000 0.87710777017258 0.88569692291055 15.999 > 17 56 O 0.75000000000000 0.87710777017258 0.88569692291055 15.999 > 17 57 O 0.12500000000000 0.37289222982742 0.61430307708945 15.999 > 25 58 O 0.37500000000000 0.37289222982742 0.61430307708945 15.999 > 25 59 O 0.62500000000000 0.37289222982742 0.61430307708945 15.999 > 25 60 O 0.87500000000000 0.37289222982742 0.61430307708945 15.999 > 25 61 O 0.12500000000000 0.87289222982742 0.61430307708945 15.999 > 25 62 O 0.37500000000000 0.87289222982742 0.61430307708945 15.999 > 25 63 O 0.62500000000000 0.87289222982742 0.61430307708945 15.999 > 25 64 O 0.87500000000000 0.87289222982742 0.61430307708945 15.999 > 25 65 Na 0.00000000000000 0.00000000000000 0.29774290073098 22.990 > 65 66 Na 0.25000000000000 0.00000000000000 0.29774290073098 22.990 > 65 67 Na 0.50000000000000 0.00000000000000 0.29774290073098 22.990 > 65 68 Na 0.75000000000000 0.00000000000000 0.29774290073098 22.990 > 65 69 Na 0.00000000000000 0.50000000000000 0.29774290073098 22.990 > 65 70 Na 0.25000000000000 0.50000000000000 0.29774290073098 22.990 > 65 71 Na 0.50000000000000 0.50000000000000 0.29774290073098 22.990 > 65 72 Na 0.75000000000000 0.50000000000000 0.29774290073098 22.990 > 65 73 Na 0.12500000000000 0.25000000000000 0.20225709926902 22.990 > 73 74 Na 0.37500000000000 0.25000000000000 0.20225709926902 22.990 > 73 75 Na 0.62500000000000 0.25000000000000 0.20225709926902 22.990 > 73 76 Na 0.87500000000000 0.25000000000000 0.20225709926902 22.990 > 73 77 Na 0.12500000000000 0.75000000000000 0.20225709926902 22.990 > 73 78 Na 0.37500000000000 0.75000000000000 0.20225709926902 22.990 > 73 79 Na 0.62500000000000 0.75000000000000 0.20225709926902 22.990 > 73 80 Na 0.87500000000000 0.75000000000000 0.20225709926902 22.990 > 73 81 Na 0.12500000000000 0.25000000000000 0.79774290073098 22.990 > 65 82 Na 0.37500000000000 0.25000000000000 0.79774290073098 22.990 > 65 83 Na 0.62500000000000 0.25000000000000 0.79774290073098 22.990 > 65 84 Na 0.87500000000000 0.25000000000000 0.79774290073098 22.990 > 65 85 Na 0.12500000000000 0.75000000000000 0.79774290073098 22.990 > 65 86 Na 0.37500000000000 0.75000000000000 0.79774290073098 22.990 > 65 87 Na 0.62500000000000 0.75000000000000 0.79774290073098 22.990 > 65 88 Na 0.87500000000000 0.75000000000000 0.79774290073098 22.990 > 65 89 Na 0.00000000000000 0.00000000000000 0.70225709926902 22.990 > 73 90 Na 0.25000000000000 0.00000000000000 0.70225709926902 22.990 > 73 91 Na 0.50000000000000 0.00000000000000 0.70225709926902 22.990 > 73 92 Na 0.75000000000000 0.00000000000000 0.70225709926902 22.990 > 73 93 Na 0.00000000000000 0.50000000000000 0.70225709926902 22.990 > 73 94 Na 0.25000000000000 0.50000000000000 0.70225709926902 22.990 > 73 95 Na 0.50000000000000 0.50000000000000 0.70225709926902 22.990 > 73 96 Na 0.75000000000000 0.50000000000000 0.70225709926902 22.990 > 73 97 Pd 0.12500000000000 0.00000000000000 0.10498652667549 106.420 > 97 98 Pd 0.37500000000000 0.00000000000000 0.10498652667549 106.420 > 97 99 Pd 0.62500000000000 0.00000000000000 0.10498652667549 106.420 > 97 100 Pd 0.87500000000000 0.00000000000000 0.10498652667549 106.420 > 97 101 Pd 0.12500000000000 0.50000000000000 0.10498652667549 106.420 > 97 102 Pd 0.37500000000000 0.50000000000000 0.10498652667549 106.420 > 97 103 Pd 0.62500000000000 0.50000000000000 0.10498652667549 106.420 > 97 104 Pd 0.87500000000000 0.50000000000000 0.10498652667549 106.420 > 97 105 Pd 0.00000000000000 0.25000000000000 0.39501347332451 106.420 > 105 106 Pd 0.25000000000000 0.25000000000000 0.39501347332451 106.420 > 105 107 Pd 0.50000000000000 0.25000000000000 0.39501347332451 106.420 > 105 108 Pd 0.75000000000000 0.25000000000000 0.39501347332451 106.420 > 105 109 Pd 0.00000000000000 0.75000000000000 0.39501347332451 106.420 > 105 110 Pd 0.25000000000000 0.75000000000000 0.39501347332451 106.420 > 105 111 Pd 0.50000000000000 0.75000000000000 0.39501347332451 106.420 > 105 112 Pd 0.75000000000000 0.75000000000000 0.39501347332451 106.420 > 105 113 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 113 114 Pd 0.25000000000000 0.25000000000000 0.00000000000000 106.420 > 113 115 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 113 116 Pd 0.75000000000000 0.25000000000000 0.00000000000000 106.420 > 113 117 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 113 118 Pd 0.25000000000000 0.75000000000000 0.00000000000000 106.420 > 113 119 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 113 120 Pd 0.75000000000000 0.75000000000000 0.00000000000000 106.420 > 113 121 Pd 0.00000000000000 0.25000000000000 0.60498652667549 106.420 > 97 122 Pd 0.25000000000000 0.25000000000000 0.60498652667549 106.420 > 97 123 Pd 0.50000000000000 0.25000000000000 0.60498652667549 106.420 > 97 124 Pd 0.75000000000000 0.25000000000000 0.60498652667549 106.420 > 97 125 Pd 0.00000000000000 0.75000000000000 0.60498652667549 106.420 > 97 126 Pd 0.25000000000000 0.75000000000000 0.60498652667549 106.420 > 97 127 Pd 0.50000000000000 0.75000000000000 0.60498652667549 106.420 > 97 128 Pd 0.75000000000000 0.75000000000000 0.60498652667549 106.420 > 97 129 Pd 0.12500000000000 0.00000000000000 0.89501347332451 106.420 > 105 130 Pd 0.37500000000000 0.00000000000000 0.89501347332451 106.420 > 105 131 Pd 0.62500000000000 0.00000000000000 0.89501347332451 106.420 > 105 132 Pd 0.87500000000000 0.00000000000000 0.89501347332451 106.420 > 105 133 Pd 0.12500000000000 0.50000000000000 0.89501347332451 106.420 > 105 134 Pd 0.37500000000000 0.50000000000000 0.89501347332451 106.420 > 105 135 Pd 0.62500000000000 0.50000000000000 0.89501347332451 106.420 > 105 136 Pd 0.87500000000000 0.50000000000000 0.89501347332451 106.420 > 105 137 Pd 0.12500000000000 0.00000000000000 0.50000000000000 106.420 > 113 138 Pd 0.37500000000000 0.00000000000000 0.50000000000000 106.420 > 113 139 Pd 0.62500000000000 0.00000000000000 0.50000000000000 106.420 > 113 140 Pd 0.87500000000000 0.00000000000000 0.50000000000000 106.420 > 113 141 Pd 0.12500000000000 0.50000000000000 0.50000000000000 106.420 > 113 142 Pd 0.37500000000000 0.50000000000000 0.50000000000000 106.420 > 113 143 Pd 0.62500000000000 0.50000000000000 0.50000000000000 106.420 > 113 144 Pd 0.87500000000000 0.50000000000000 0.50000000000000 106.420 > 113 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.1875239 0.0000000 0.0000000 0.0000000 12.7553723 0.0000000 0.0000000 0.0000000 5.3141544 -------------------------- Born effective charges -------------------------- 1 O -2.0763996 0.0000000 0.0000000 0.0000000 -1.7147759 -0.4937590 0.0000000 0.1351207 -0.6716299 2 O -2.0763996 0.0000000 0.0000000 0.0000000 -1.7147759 -0.4937590 0.0000000 0.1351207 -0.6716299 3 O -2.0763996 0.0000000 0.0000000 0.0000000 -1.7147759 0.4937590 0.0000000 -0.1351207 -0.6716299 4 O -2.0763996 0.0000000 0.0000000 0.0000000 -1.7147759 0.4937590 0.0000000 -0.1351207 -0.6716299 5 Na 1.0122043 0.0000000 0.0000000 0.0000000 1.1503321 0.0000000 0.0000000 0.0000000 1.7643484 6 Na 1.0122043 0.0000000 0.0000000 0.0000000 1.1503321 0.0000000 0.0000000 0.0000000 1.7643484 7 Pd 3.4570716 0.0000000 0.0000000 0.0000000 1.1316498 0.0000000 0.0000000 0.0000000 -0.8833507 8 Pd 3.4570716 0.0000000 0.0000000 0.0000000 1.1316498 0.0000000 0.0000000 0.0000000 -0.8833507 9 Pd -0.6329536 0.0000000 0.0000000 0.0000000 2.2951400 0.0000000 0.0000000 0.0000000 0.9245243 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 4 288 ] Grid generation matrix: [ 0 16 16 ] [ 9 0 9 ] [ 4 4 0 ] 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: 0.87, Number of G-points: 309, Lambda: 0.27 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/215) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 215 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 2.283 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.439 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.324 ( 0.000 0.000 0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 10.086 ( 0.000 0.000 0.000) 0.000 12.892 ( 0.000 0.000 0.000) 0.000 13.498 ( 0.000 0.000 0.000) 0.000 14.155 ( 0.000 0.000 0.000) 0.000 14.349 ( 0.000 0.000 0.000) 0.000 15.549 ( 0.000 0.000 0.000) 0.000 16.437 ( 0.000 0.000 0.000) 0.000 16.451 ( 0.000 0.000 0.000) 0.000 16.731 ( 0.000 0.000 0.000) 0.000 16.868 ( 0.000 0.000 0.000) 0.000 17.011 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/215) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 20.339 -0.000 7.396) 21.642 2.694 ( 39.000 -0.000 1.062) 39.015 3.901 ( 16.230 -0.000 -5.511) 17.140 4.120 ( 31.527 -0.000 -6.324) 32.156 4.771 ( 17.692 -0.000 2.852) 17.921 5.081 ( 5.791 -0.000 -6.179) 8.469 5.190 ( 4.814 -0.000 7.365) 8.799 5.368 ( 6.808 -0.000 3.914) 7.853 5.837 ( 1.485 -0.000 5.466) 5.664 6.074 ( 29.927 -0.000 -2.368) 30.020 6.449 ( 12.079 -0.000 1.399) 12.160 6.595 ( -9.566 0.000 -8.372) 12.712 6.721 ( 17.519 -0.000 -3.283) 17.823 6.925 ( 21.351 -0.000 1.378) 21.396 7.011 ( -9.998 0.000 5.077) 11.213 10.260 ( 17.277 -0.000 -0.712) 17.292 11.253 ( 22.264 -0.000 1.018) 22.287 11.841 ( -20.763 0.000 -1.673) 20.830 13.489 ( -17.590 0.000 1.795) 17.682 14.017 ( 5.816 -0.000 0.045) 5.817 14.780 ( 9.163 -0.000 -0.049) 9.163 15.181 ( -22.516 0.000 0.105) 22.516 15.779 ( -16.314 0.000 0.037) 16.314 15.793 ( -2.878 0.000 1.215) 3.124 16.932 ( -1.111 0.000 0.236) 1.136 17.015 ( 1.666 -0.000 -0.204) 1.679 17.238 ( -13.252 0.000 -3.847) 13.799 ======================= Grid point 2 (3/215) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( -0.000 -0.000 0.000) 0.000 4.190 ( 0.000 -0.000 0.000) 0.000 4.545 ( 0.000 -0.000 0.000) 0.000 5.457 ( -0.000 0.000 0.000) 0.000 5.552 ( 0.000 -0.000 0.000) 0.000 5.590 ( 0.000 -0.000 0.000) 0.000 5.625 ( 0.000 -0.000 -0.000) 0.000 5.658 ( -0.000 0.000 0.000) 0.000 5.738 ( 0.000 -0.000 0.000) 0.000 5.948 ( -0.000 0.000 0.000) 0.000 6.192 ( 0.000 -0.000 0.000) 0.000 7.086 ( 0.000 -0.000 0.000) 0.000 7.330 ( 0.000 -0.000 0.000) 0.000 8.491 ( 0.000 -0.000 -0.000) 0.000 8.511 ( -0.000 0.000 0.000) 0.000 10.691 ( 0.000 -0.000 0.000) 0.000 10.754 ( 0.000 -0.000 0.000) 0.000 12.269 ( 0.000 -0.000 0.000) 0.000 12.630 ( 0.000 -0.000 0.000) 0.000 14.159 ( 0.000 -0.000 0.000) 0.000 14.236 ( 0.000 -0.000 -0.000) 0.000 15.118 ( 0.000 -0.000 0.000) 0.000 15.145 ( 0.000 -0.000 0.000) 0.000 15.239 ( 0.000 -0.000 0.000) 0.000 16.094 ( 0.000 -0.000 0.000) 0.000 17.167 ( 0.000 -0.000 0.000) 0.000 17.194 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 5 (4/215) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 12.620 9.986 12.152) 20.165 2.454 ( 22.495 10.116 3.782) 24.953 3.106 ( 4.775 -8.014 -8.777) 12.809 3.361 ( 19.124 -1.069 -2.873) 19.368 3.842 ( -2.050 17.256 -5.328) 18.176 4.082 ( -3.644 -6.292 4.247) 8.420 4.387 ( 4.628 2.055 -3.378) 6.087 4.527 ( 3.971 -9.172 5.525) 11.420 5.285 ( 6.455 -2.142 0.241) 6.805 5.480 ( 4.529 0.424 0.990) 4.655 5.771 ( 8.205 21.826 0.542) 23.324 6.161 ( 3.064 -0.912 -4.005) 5.125 6.398 ( 2.809 -16.901 1.510) 17.199 6.833 ( -1.008 -2.053 -1.424) 2.694 6.998 ( -2.684 -1.141 1.131) 3.128 10.390 ( 8.222 0.307 0.931) 8.280 11.636 ( -4.500 32.166 -1.894) 32.534 12.665 ( 0.750 -27.272 1.531) 27.325 12.893 ( -7.864 -0.559 0.063) 7.884 13.728 ( 5.818 -2.060 -0.009) 6.172 14.569 ( 4.526 13.478 -0.060) 14.217 15.433 ( 3.598 -13.881 0.055) 14.340 15.762 ( -0.113 -4.221 0.300) 4.233 16.264 ( 2.926 3.098 -0.023) 4.262 16.824 ( -1.082 -0.359 0.021) 1.140 17.211 ( -8.248 1.328 0.506) 8.370 17.304 ( -10.167 0.102 -1.120) 10.229 ======================= Grid point 6 (5/215) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.748 ( 9.894 13.663 3.920) 17.319 3.821 ( 7.440 4.669 -0.322) 8.790 4.024 ( 15.787 -10.164 -2.482) 18.939 4.711 ( 13.322 6.102 -1.423) 14.722 4.973 ( 21.358 2.426 0.322) 21.498 5.104 ( 19.292 -6.398 -5.497) 21.056 5.245 ( 11.820 -0.789 1.939) 12.003 5.315 ( 8.148 -0.305 -0.751) 8.188 5.665 ( 0.454 -4.644 8.062) 9.315 6.061 ( 1.557 -4.312 -6.907) 8.290 6.305 ( -3.896 -0.451 4.770) 6.175 6.914 ( 18.103 5.572 -0.880) 18.962 7.237 ( 19.567 -0.767 -1.878) 19.672 7.326 ( 15.660 1.817 0.286) 15.768 7.409 ( 13.022 -0.435 0.989) 13.066 10.273 ( -22.784 -0.526 -0.267) 22.792 11.276 ( -21.206 0.266 -0.385) 21.211 11.820 ( 17.391 0.133 0.235) 17.393 13.264 ( 5.543 -1.609 0.547) 5.797 14.351 ( 3.874 -1.580 -0.003) 4.184 15.105 ( 3.369 17.199 0.191) 17.527 15.577 ( -12.165 -3.417 0.348) 12.641 15.641 ( -12.664 -13.671 -0.547) 18.644 15.757 ( -2.410 15.631 0.109) 15.816 16.140 ( -4.963 -15.888 -0.092) 16.646 16.193 ( -8.274 2.825 -0.330) 8.749 16.733 ( 0.898 -1.894 0.026) 2.097 ======================= Grid point 7 (6/215) ======================= q-point: ( 0.44 -0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( 0.248 -2.438 -0.000) 2.451 4.263 ( -10.437 11.516 0.000) 15.542 4.563 ( -4.434 -3.617 -0.000) 5.722 5.246 ( -9.970 -1.196 0.000) 10.042 5.387 ( -5.792 3.704 0.000) 6.875 5.495 ( -2.258 -0.713 0.000) 2.368 5.590 ( -3.257 0.494 0.000) 3.295 5.690 ( 3.769 -0.470 -0.000) 3.798 5.787 ( 4.497 -1.999 -0.000) 4.922 5.837 ( -10.962 -0.683 0.000) 10.983 6.383 ( -5.172 1.571 0.000) 5.406 7.617 ( -4.637 7.417 0.000) 8.747 7.639 ( -5.386 3.561 0.000) 6.457 7.726 ( -5.761 -6.579 -0.000) 8.744 7.990 ( -8.372 -5.591 -0.000) 10.068 9.598 ( 7.661 -7.482 -0.000) 10.708 10.716 ( 5.656 -0.371 -0.000) 5.668 12.309 ( -5.864 0.380 0.000) 5.876 13.298 ( 1.032 6.069 0.000) 6.156 14.448 ( -1.341 -2.299 -0.000) 2.661 15.012 ( 4.965 6.219 0.000) 7.958 15.053 ( 6.510 7.661 0.000) 10.053 15.456 ( 1.176 -13.452 -0.000) 13.503 15.706 ( -0.348 17.181 0.000) 17.184 15.810 ( 7.244 2.271 -0.000) 7.591 16.137 ( -0.713 -18.605 -0.000) 18.619 16.814 ( -1.724 -2.118 -0.000) 2.731 ======================= Grid point 8 (7/215) ======================= q-point: ( 0.44 -0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -23.442 22.813 7.609) 33.583 3.421 ( -18.328 24.259 1.141) 30.426 3.740 ( -10.218 -19.377 -8.704) 23.571 4.087 ( -18.397 -21.359 -2.982) 28.347 4.232 ( -13.803 3.708 -0.597) 14.305 4.557 ( -22.358 -5.448 2.490) 23.146 4.567 ( -14.460 0.852 1.379) 14.550 4.703 ( -9.400 2.311 0.083) 9.680 5.507 ( -2.476 -0.676 -1.725) 3.092 5.665 ( -5.797 3.975 3.956) 8.066 6.287 ( -6.678 14.361 1.140) 15.878 6.528 ( -14.609 -1.255 -1.079) 14.702 6.662 ( -13.197 -4.088 -0.734) 13.835 6.828 ( -1.639 -2.040 -1.997) 3.292 6.906 ( -1.895 -5.439 1.318) 5.908 10.978 ( -18.121 1.697 -0.219) 18.202 11.206 ( 16.750 10.208 0.071) 19.616 12.234 ( 21.310 -0.320 -0.666) 21.323 12.873 ( -8.935 -9.084 1.168) 12.795 14.077 ( -9.132 -1.635 0.000) 9.277 14.850 ( -7.674 14.232 0.058) 16.170 15.619 ( -3.509 -14.428 -0.017) 14.849 15.772 ( -0.672 0.422 0.092) 0.799 16.375 ( -0.336 2.488 -0.177) 2.517 16.584 ( 22.748 -1.823 -0.195) 22.822 16.634 ( 15.957 -1.687 -0.163) 16.047 16.768 ( 2.853 -0.891 0.043) 2.989 ======================= Grid point 9 (8/215) ======================= q-point: (-0.12 0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 22.953 -8.366 -0.000) 24.430 1.435 ( 27.007 -20.483 -0.000) 33.896 2.680 ( 47.406 -22.867 -0.000) 52.633 3.170 ( 21.603 -5.287 -0.000) 22.240 3.432 ( 33.405 -11.503 -0.000) 35.330 4.856 ( 4.294 3.762 0.000) 5.709 5.092 ( 4.597 8.085 0.000) 9.300 5.104 ( -1.326 14.248 0.000) 14.310 5.389 ( 3.935 -1.516 -0.000) 4.217 5.651 ( 4.243 1.554 -0.000) 4.518 5.830 ( 13.540 5.457 -0.000) 14.598 6.195 ( 10.561 -0.843 -0.000) 10.594 6.456 ( 1.893 -1.603 -0.000) 2.481 7.112 ( -7.334 2.092 0.000) 7.627 7.183 ( -4.357 -0.095 0.000) 4.358 9.713 ( 13.783 -19.423 -0.000) 23.816 10.439 ( 15.345 -2.629 -0.000) 15.569 12.596 ( -13.974 -0.106 0.000) 13.974 13.777 ( 8.060 -7.542 -0.000) 11.039 13.999 ( -10.369 10.119 0.000) 14.488 14.283 ( 9.045 7.730 0.000) 11.898 15.778 ( 3.634 -7.210 -0.000) 8.074 16.063 ( -14.513 0.316 0.000) 14.517 16.415 ( -10.099 2.965 0.000) 10.525 16.882 ( 0.223 0.653 0.000) 0.690 16.976 ( -2.019 1.619 0.000) 2.588 17.590 ( -5.571 21.312 0.000) 22.028 ======================= Grid point 10 (9/215) ======================= q-point: (-0.12 0.37 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 17.630 -12.379 0.472) 21.547 4.045 ( 12.198 6.901 -2.327) 14.207 4.465 ( 22.668 -11.261 -2.215) 25.408 4.715 ( -4.995 -0.329 1.857) 5.339 5.261 ( 13.191 0.061 -4.151) 13.829 5.437 ( 4.609 -0.338 0.452) 4.643 5.475 ( 11.186 2.361 4.294) 12.213 5.563 ( 6.785 -1.508 5.010) 8.568 5.917 ( 1.154 -1.727 0.653) 2.177 6.111 ( -6.746 6.479 -2.410) 9.659 6.413 ( -9.855 6.585 0.604) 11.868 7.051 ( 5.583 -6.123 -0.585) 8.307 7.100 ( 12.146 -4.993 -0.172) 13.133 7.768 ( 28.463 -0.391 -2.391) 28.566 7.977 ( 23.565 3.935 0.716) 23.902 10.591 ( 1.218 9.453 -0.131) 9.532 11.042 ( -14.730 2.264 -1.423) 14.971 12.036 ( 12.737 -1.671 0.202) 12.848 12.877 ( -11.773 -3.484 1.487) 12.367 14.221 ( 0.884 -7.176 0.054) 7.230 14.586 ( -8.713 -12.449 0.007) 15.196 14.923 ( 2.833 10.546 0.092) 10.920 15.254 ( -8.450 0.506 0.144) 8.467 15.622 ( -8.500 -8.996 -0.717) 12.397 16.379 ( -14.552 6.121 0.267) 15.789 17.044 ( 2.763 7.545 -0.105) 8.036 17.078 ( 2.324 4.518 -0.431) 5.099 ======================= Grid point 11 (10/215) ======================= q-point: (-0.12 -0.38 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( -15.002 -12.777 -0.557) 19.714 3.989 ( -9.860 5.765 3.222) 11.867 4.438 ( -26.882 -10.437 0.515) 28.842 4.726 ( 2.312 0.770 0.795) 2.563 5.183 ( -17.212 -1.460 3.773) 17.681 5.492 ( -4.761 0.360 -4.987) 6.904 5.558 ( -5.056 3.358 -4.237) 7.403 5.656 ( -6.460 -0.534 -4.624) 7.963 5.929 ( 1.231 -1.794 -0.372) 2.207 6.051 ( 5.604 5.188 3.779) 8.521 6.424 ( 9.976 7.221 -0.533) 12.326 7.038 ( -3.890 -8.178 0.728) 9.085 7.095 ( -13.567 -3.367 0.342) 13.982 7.713 ( -29.418 -0.379 3.069) 29.580 7.990 ( -24.010 3.385 -0.609) 24.255 10.588 ( -1.417 9.651 0.175) 9.756 11.008 ( 14.176 1.939 1.984) 14.445 12.041 ( -12.488 -1.603 -0.304) 12.594 12.912 ( 12.410 -3.366 -2.030) 13.018 14.222 ( -0.873 -7.305 -0.079) 7.357 14.586 ( 8.765 -12.545 -0.011) 15.304 14.925 ( -2.705 10.412 -0.141) 10.758 15.258 ( 8.440 0.535 -0.211) 8.460 15.605 ( 8.549 -8.716 1.029) 12.252 16.385 ( 14.104 6.302 -0.352) 15.452 17.042 ( -2.815 7.476 0.130) 7.990 17.068 ( -2.552 4.360 0.605) 5.088 ======================= Grid point 12 (11/215) ======================= q-point: (-0.12 -0.13 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -17.627 -7.213 -19.508) 27.263 1.469 ( -26.107 -20.819 -3.639) 33.590 2.695 ( -45.199 -20.391 -1.356) 49.604 3.084 ( -21.740 -6.058 8.588) 24.147 3.430 ( -35.081 -13.013 0.252) 37.417 4.899 ( -2.629 9.520 0.665) 9.899 4.994 ( -1.591 7.073 3.909) 8.237 5.084 ( -4.977 7.485 0.724) 9.018 5.364 ( -4.720 -3.068 3.684) 6.728 5.704 ( -6.706 2.507 -4.108) 8.254 5.854 ( -13.257 5.957 -1.353) 14.597 6.162 ( -7.790 1.896 -0.092) 8.018 6.595 ( 2.750 1.604 -10.927) 11.382 6.927 ( 5.284 -1.806 11.612) 12.885 7.331 ( 5.991 2.820 -8.050) 10.424 9.697 ( -13.936 -19.293 1.575) 23.852 10.463 ( -15.002 -2.778 -2.319) 15.433 12.593 ( 14.382 -0.028 0.219) 14.384 13.777 ( -8.082 -7.526 -0.036) 11.043 14.016 ( 10.535 10.169 -1.632) 14.733 14.287 ( -9.022 7.596 -0.360) 11.800 15.788 ( -3.275 -5.957 -0.972) 6.867 16.072 ( 14.098 -0.303 -1.022) 14.139 16.415 ( 10.010 2.933 0.028) 10.431 16.888 ( -0.063 0.588 -0.599) 0.842 16.975 ( 1.999 1.546 0.142) 2.531 17.475 ( 2.531 17.513 11.213) 20.948 ======================= Grid point 13 (12/215) ======================= q-point: ( 0.32 0.18 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 18.947 19.683 14.273) 30.824 2.980 ( 20.486 23.660 4.479) 31.615 3.733 ( 17.238 4.002 -12.183) 21.485 4.023 ( 18.913 8.502 -7.563) 22.072 4.300 ( 16.253 -3.437 -4.556) 17.225 4.584 ( 10.121 -20.906 -1.696) 23.289 4.658 ( 26.718 0.083 4.255) 27.054 4.938 ( 6.461 -7.181 5.029) 10.890 5.541 ( 7.886 0.267 2.074) 8.159 5.723 ( 3.433 -4.179 2.209) 5.842 6.090 ( 12.713 8.861 5.037) 16.295 6.430 ( 17.970 5.087 -4.058) 19.112 6.673 ( 1.612 -0.350 -0.985) 1.921 6.781 ( -1.957 1.693 -4.121) 4.866 7.102 ( 3.326 -9.276 1.878) 10.032 10.775 ( -3.757 20.846 -1.733) 21.253 10.995 ( 17.572 3.445 1.243) 17.949 12.220 ( -21.103 0.239 -0.827) 21.121 13.237 ( -0.429 -18.923 2.638) 19.110 14.149 ( 8.845 -5.510 0.139) 10.422 14.495 ( 7.601 17.928 0.137) 19.473 15.757 ( -6.116 1.553 0.321) 6.318 15.966 ( 0.165 -15.123 0.225) 15.126 16.269 ( 0.024 6.830 -0.024) 6.830 16.605 ( -18.615 -5.063 -3.229) 19.559 16.709 ( -10.922 -5.024 0.169) 12.023 16.821 ( -2.184 -3.077 0.598) 3.821 ======================= Grid point 14 (13/215) ======================= q-point: ( 0.32 0.43 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.871 ( 2.005 -3.661 -0.654) 4.225 3.911 ( 10.561 21.704 -0.143) 24.138 4.599 ( 2.219 -1.786 -0.221) 2.857 5.240 ( 13.907 0.819 -0.326) 13.935 5.443 ( 7.458 1.352 0.393) 7.590 5.526 ( 1.930 -1.328 -0.510) 2.398 5.584 ( -1.867 -1.209 4.331) 4.869 5.673 ( 0.250 -2.474 -0.006) 2.487 5.802 ( -5.360 -0.648 -2.862) 6.110 5.909 ( 6.941 -3.100 0.120) 7.603 6.309 ( 2.545 4.209 -0.068) 4.919 7.455 ( 4.042 8.269 1.170) 9.278 7.506 ( 4.948 7.035 -1.184) 8.682 7.908 ( 8.546 -8.326 -0.454) 11.940 8.131 ( 10.920 -7.994 0.410) 13.540 9.858 ( -4.950 -17.719 -0.241) 18.399 10.710 ( -5.572 -0.485 -0.304) 5.602 12.295 ( 5.732 1.134 0.026) 5.843 13.113 ( -4.502 12.382 0.410) 13.181 14.546 ( 1.428 -7.016 0.074) 7.160 14.723 ( -2.044 15.538 0.196) 15.673 15.060 ( -6.028 -1.760 0.024) 6.280 15.315 ( 0.456 20.562 0.068) 20.567 15.727 ( -6.297 2.698 -0.227) 6.855 15.747 ( -5.233 -11.823 -0.157) 12.930 16.519 ( 1.243 -18.358 -0.070) 18.401 16.887 ( 1.854 -5.053 -0.086) 5.383 ======================= Grid point 15 (14/215) ======================= q-point: ( 0.32 -0.32 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( -23.252 21.742 0.000) 31.833 3.691 ( -13.903 5.969 0.000) 15.130 4.562 ( -4.364 -11.236 -0.000) 12.054 4.691 ( -9.206 7.717 0.000) 12.013 4.988 ( -24.561 2.880 0.000) 24.730 5.012 ( -9.018 -5.115 0.000) 10.367 5.346 ( -9.430 -3.226 0.000) 9.966 5.547 ( -4.447 7.933 0.000) 9.095 5.694 ( -5.758 -13.672 -0.000) 14.836 5.831 ( -8.138 -6.315 -0.000) 10.301 6.170 ( -2.885 5.654 0.000) 6.347 7.122 ( -12.455 0.586 0.000) 12.469 7.147 ( -9.383 3.089 0.000) 9.878 7.335 ( -21.684 2.708 0.000) 21.853 7.347 ( -16.492 -1.353 0.000) 16.547 10.347 ( 15.519 -3.606 -0.000) 15.932 11.319 ( 20.263 -1.831 -0.000) 20.346 11.796 ( -17.324 1.430 0.000) 17.383 13.203 ( 0.139 1.405 0.000) 1.412 14.424 ( -4.369 -5.877 -0.000) 7.323 14.716 ( -2.705 17.662 0.000) 17.868 15.412 ( 6.881 16.296 0.000) 17.689 15.546 ( 16.276 2.034 -0.000) 16.402 16.078 ( 10.091 -20.827 -0.000) 23.143 16.135 ( 7.838 5.838 0.000) 9.773 16.485 ( 0.674 -16.130 -0.000) 16.144 16.798 ( -1.735 -4.451 -0.000) 4.778 ======================= Grid point 16 (15/215) ======================= q-point: ( 0.32 -0.07 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -14.971 19.479 19.605) 31.432 2.011 ( -19.560 22.301 4.337) 29.979 3.152 ( -18.205 12.246 -4.199) 22.339 3.479 ( -6.797 29.176 -7.229) 30.817 3.715 ( -7.492 14.089 -1.533) 16.031 4.018 ( -3.023 -19.261 -2.257) 19.627 4.514 ( -0.434 -11.733 -0.087) 11.741 4.615 ( -4.102 -9.704 5.635) 11.948 5.352 ( -5.196 -3.542 -0.545) 6.312 5.419 ( -3.207 0.347 1.664) 3.630 5.511 ( -8.601 4.083 0.360) 9.527 6.164 ( -2.835 7.873 -7.520) 11.250 6.613 ( 0.869 -5.567 6.493) 8.597 6.928 ( 1.012 -3.824 -2.726) 4.804 7.094 ( 1.763 -10.351 0.989) 10.546 10.332 ( -8.253 2.450 1.657) 8.767 10.902 ( -0.524 39.716 -1.452) 39.746 12.857 ( 8.221 1.203 -0.132) 8.310 13.281 ( 2.395 -29.770 1.386) 29.899 13.811 ( -5.638 -5.877 -0.007) 8.144 14.213 ( -4.534 18.485 -0.048) 19.033 15.806 ( -4.474 -19.705 -0.083) 20.207 15.900 ( 1.891 -9.130 0.506) 9.337 16.147 ( -3.597 7.677 0.111) 8.479 16.835 ( 0.303 -1.023 0.253) 1.097 17.150 ( 7.297 3.166 0.458) 7.968 17.349 ( 10.098 -0.829 -2.391) 10.410 ======================= Grid point 17 (16/215) ======================= q-point: (-0.24 0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 24.042 -17.812 -0.000) 29.922 3.004 ( 29.516 -13.788 -0.000) 32.578 4.322 ( 27.229 -6.098 -0.000) 27.903 4.322 ( 10.312 -14.189 -0.000) 17.540 4.748 ( 4.158 7.995 0.000) 9.011 4.978 ( 6.623 5.870 0.000) 8.850 5.073 ( 22.808 -3.194 -0.000) 23.031 5.253 ( 9.432 6.562 0.000) 11.490 5.740 ( 17.833 10.173 -0.000) 20.531 5.923 ( 5.676 -7.584 -0.000) 9.473 5.967 ( 2.126 15.309 0.000) 15.455 6.813 ( 18.084 -2.575 -0.000) 18.266 6.905 ( 8.935 -2.010 -0.000) 9.158 6.977 ( 11.792 -4.017 -0.000) 12.457 7.037 ( 0.278 -1.366 -0.000) 1.394 10.459 ( 1.351 -8.558 -0.000) 8.664 11.313 ( 20.971 -2.591 -0.000) 21.130 11.827 ( -21.046 1.201 0.000) 21.080 13.344 ( -8.594 6.646 0.000) 10.864 14.304 ( 5.841 -13.467 -0.000) 14.679 14.466 ( 7.528 9.685 0.000) 12.267 15.383 ( -15.929 -8.977 0.000) 18.285 15.838 ( -16.473 -2.063 0.000) 16.602 16.076 ( -2.478 -9.718 -0.000) 10.029 16.745 ( -12.455 20.815 0.000) 24.257 16.780 ( -1.001 10.533 0.000) 10.580 16.859 ( 1.135 3.891 0.000) 4.053 ======================= Grid point 18 (17/215) ======================= q-point: (-0.24 0.49 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.584 ( -1.423 -22.249 -0.170) 22.295 4.021 ( -1.570 6.126 0.184) 6.327 4.576 ( 1.447 -1.264 -0.001) 1.922 5.436 ( -0.159 1.419 0.789) 1.631 5.510 ( 5.106 2.076 -1.934) 5.841 5.571 ( 3.536 -0.308 0.519) 3.587 5.605 ( -3.831 1.618 0.108) 4.161 5.659 ( 2.579 -0.204 0.359) 2.612 5.705 ( -4.742 0.689 0.145) 4.794 6.094 ( -0.014 4.017 -0.009) 4.017 6.183 ( -0.411 -8.699 0.112) 8.709 7.283 ( -0.115 -8.453 -0.440) 8.465 7.457 ( -0.372 -5.539 0.307) 5.560 8.229 ( -1.496 10.904 0.162) 11.007 8.389 ( 1.262 6.077 -0.147) 6.208 10.242 ( -0.261 20.541 0.024) 20.543 10.686 ( -0.672 1.900 -0.017) 2.015 12.322 ( 0.031 -1.807 0.005) 1.807 12.773 ( 0.753 -11.835 -0.003) 11.859 14.418 ( 0.176 -11.834 0.001) 11.835 14.736 ( 0.131 10.019 -0.010) 10.020 14.873 ( -0.014 -22.554 -0.007) 22.554 15.054 ( 0.107 2.715 0.015) 2.717 15.557 ( -0.677 -6.383 0.006) 6.418 15.908 ( 0.271 8.780 -0.007) 8.784 16.877 ( -0.064 14.588 -0.001) 14.588 17.025 ( -0.203 5.813 -0.000) 5.817 ======================= Grid point 19 (18/215) ======================= q-point: (-0.24 -0.26 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -17.735 -17.151 -10.277) 26.727 3.074 ( -27.994 -14.224 -3.042) 31.547 4.064 ( -16.730 -6.935 10.660) 21.015 4.078 ( -21.763 -10.345 7.917) 25.364 4.691 ( -7.004 7.890 3.507) 11.117 5.122 ( -19.306 -0.985 -5.141) 20.003 5.166 ( -7.390 2.945 -4.436) 9.109 5.311 ( -13.494 12.230 -1.049) 18.242 5.837 ( -21.821 1.404 -3.993) 22.228 5.937 ( -1.212 12.920 1.421) 13.054 6.099 ( -1.798 -3.979 -8.297) 9.376 6.672 ( -1.897 -4.534 7.210) 8.726 6.738 ( -18.230 -3.135 3.204) 18.773 6.896 ( -18.770 -0.062 3.446) 19.084 7.222 ( 0.240 -1.119 -4.202) 4.355 10.424 ( -2.134 -8.158 1.370) 8.543 11.354 ( -20.714 -2.690 -1.503) 20.941 11.776 ( 22.140 0.893 1.947) 22.244 13.413 ( 8.647 6.447 -2.763) 11.134 14.309 ( -5.912 -13.561 -0.211) 14.795 14.476 ( -7.389 9.976 -0.460) 12.423 15.392 ( 15.928 -9.111 -0.363) 18.353 15.840 ( 16.438 -2.505 -0.175) 16.628 16.072 ( 3.941 -8.553 0.215) 9.420 16.663 ( 9.062 19.427 3.340) 21.695 16.776 ( 0.990 10.485 0.221) 10.534 16.869 ( -0.273 3.650 -0.394) 3.682 ======================= Grid point 20 (19/215) ======================= q-point: (-0.24 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.000 -10.074 -32.100) 33.643 1.283 ( -0.000 -26.216 -7.105) 27.162 2.482 ( -0.000 -53.433 0.748) 53.438 2.649 ( -0.000 -15.980 4.365) 16.566 3.220 ( -0.000 -20.784 2.149) 20.895 4.511 ( 0.000 26.208 8.738) 27.627 4.761 ( 0.000 10.231 1.369) 10.323 4.764 ( 0.000 9.701 -4.563) 10.721 5.369 ( 0.000 2.943 0.385) 2.968 5.402 ( -0.000 -1.054 1.497) 1.831 5.423 ( 0.000 3.126 -2.033) 3.729 5.995 ( -0.000 -2.573 3.893) 4.666 6.657 ( 0.000 1.209 -11.998) 12.058 7.050 ( -0.000 3.644 6.470) 7.426 7.333 ( 0.000 9.658 -3.784) 10.373 10.041 ( -0.000 -35.408 2.493) 35.496 10.222 ( 0.000 -5.019 -3.705) 6.239 12.915 ( 0.000 -1.000 -0.369) 1.066 13.817 ( -0.000 -14.753 0.041) 14.753 13.869 ( 0.000 23.574 -1.520) 23.623 13.901 ( 0.000 8.461 0.035) 8.462 15.885 ( -0.000 -11.881 0.157) 11.882 16.110 ( 0.000 15.127 -0.152) 15.128 16.173 ( 0.000 12.202 -0.978) 12.241 16.851 ( 0.000 0.765 -0.300) 0.821 17.136 ( -0.000 -4.813 -0.202) 4.817 17.446 ( -0.000 -1.742 5.446) 5.718 ======================= Grid point 21 (20/215) ======================= q-point: ( 0.20 0.30 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 17.974 18.872 5.238) 26.583 3.604 ( 21.522 4.425 0.491) 21.977 4.288 ( 12.476 10.394 -5.516) 17.150 4.552 ( 15.984 -1.968 -7.341) 17.699 4.883 ( 14.273 1.324 -2.323) 14.521 5.307 ( 7.366 -4.267 5.191) 9.970 5.385 ( 7.957 0.679 3.763) 8.828 5.528 ( 7.428 -4.869 1.719) 9.046 5.928 ( -1.616 -12.657 -1.442) 12.841 6.056 ( -1.966 4.404 4.285) 6.451 6.244 ( 8.984 -8.374 4.073) 12.939 6.831 ( 15.650 4.389 -6.394) 17.466 7.142 ( 13.208 5.568 -0.174) 14.334 7.244 ( 14.252 5.900 -1.266) 15.477 7.398 ( 23.643 -2.748 0.561) 23.809 10.413 ( -2.966 -4.802 -0.794) 5.700 11.326 ( -20.297 -1.680 -1.674) 20.435 11.765 ( 17.971 2.138 0.475) 18.104 13.230 ( -9.404 1.737 2.485) 9.881 14.401 ( 3.031 13.544 0.256) 13.881 14.601 ( 4.825 -10.436 0.337) 11.502 15.102 ( -11.424 14.139 0.251) 18.179 15.508 ( -15.060 1.699 0.113) 15.156 15.955 ( -7.474 8.584 -1.118) 11.436 16.443 ( -12.059 -16.090 -0.954) 20.130 16.781 ( 1.314 -12.706 -0.164) 12.775 16.901 ( 2.487 -5.414 -0.158) 5.960 ======================= Grid point 22 (21/215) ======================= q-point: ( 0.20 -0.45 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( -11.605 21.327 0.620) 24.288 4.023 ( -1.488 -6.191 1.463) 6.534 4.597 ( 3.012 0.651 -0.911) 3.213 5.173 ( -20.498 5.859 -0.336) 21.321 5.391 ( -5.413 -2.658 -1.113) 6.133 5.505 ( -1.865 -0.026 -0.739) 2.006 5.564 ( -3.826 0.166 0.374) 3.848 5.723 ( 1.692 -1.105 -0.428) 2.066 5.878 ( 6.546 -1.899 0.301) 6.823 5.984 ( -8.498 -5.043 0.163) 9.883 6.227 ( 3.454 4.405 0.010) 5.598 7.263 ( -2.244 7.718 0.318) 8.044 7.402 ( -5.665 6.246 0.143) 8.434 8.132 ( -11.221 -9.201 1.591) 14.598 8.234 ( -13.555 -5.178 -1.303) 14.569 10.265 ( 2.175 -19.289 0.164) 19.412 10.762 ( 7.116 -2.391 0.587) 7.530 12.262 ( -5.864 1.829 -0.040) 6.142 12.832 ( 6.081 11.068 -0.651) 12.646 14.425 ( 0.648 12.257 -0.129) 12.274 14.719 ( -1.561 -9.328 -0.101) 9.459 14.882 ( 1.155 20.404 0.014) 20.437 15.097 ( 4.465 -2.016 -0.093) 4.900 15.636 ( 6.637 6.988 0.549) 9.653 15.982 ( 7.298 -9.723 -0.198) 12.159 16.862 ( -1.489 -14.398 0.053) 14.475 17.010 ( -1.602 -5.985 0.159) 6.198 ======================= Grid point 23 (22/215) ======================= q-point: ( 0.20 -0.20 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -24.314 16.976 0.000) 29.654 2.419 ( -26.879 20.828 0.000) 34.004 3.799 ( -23.182 10.005 0.000) 25.249 3.951 ( -27.327 22.464 0.000) 35.375 4.356 ( -32.969 8.199 0.000) 33.973 4.778 ( -4.685 -17.856 -0.000) 18.460 4.848 ( -6.016 -6.490 -0.000) 8.849 5.011 ( -10.853 -15.068 -0.000) 18.569 5.483 ( -6.516 -1.452 0.000) 6.676 5.808 ( -6.630 6.159 0.000) 9.049 5.887 ( -6.723 -11.570 -0.000) 13.381 6.482 ( -14.097 2.086 0.000) 14.250 6.626 ( -10.447 3.255 0.000) 10.942 6.968 ( 3.057 0.057 -0.000) 3.058 7.073 ( 3.153 -2.087 -0.000) 3.781 10.380 ( -5.956 21.197 0.000) 22.018 10.877 ( -20.506 3.225 0.000) 20.758 12.251 ( 19.429 -0.291 -0.000) 19.431 13.522 ( 8.726 -14.706 -0.000) 17.100 14.162 ( -7.753 13.679 0.000) 15.723 14.292 ( -9.115 -8.931 -0.000) 12.761 15.703 ( 14.090 2.690 -0.000) 14.344 16.089 ( -0.829 10.161 0.000) 10.194 16.134 ( 11.240 -2.824 -0.000) 11.589 16.832 ( 4.164 -6.497 -0.000) 7.717 16.839 ( 0.721 -4.286 -0.000) 4.347 17.000 ( 11.126 -18.221 -0.000) 21.349 ======================= Grid point 24 (23/215) ======================= q-point: ( 0.20 0.05 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 13.445 11.848 25.724) 31.351 1.523 ( 19.194 24.708 5.954) 31.849 2.680 ( 19.464 45.385 -1.499) 49.405 2.860 ( 18.731 14.752 -5.336) 24.433 3.321 ( 10.847 19.742 -0.501) 22.532 4.524 ( 1.461 -24.225 -8.568) 25.737 4.769 ( 1.189 -11.438 1.340) 11.577 4.802 ( 3.096 -9.037 2.306) 9.827 5.376 ( 1.014 1.022 -0.972) 1.737 5.495 ( 8.207 -4.555 0.600) 9.405 5.500 ( 6.997 -2.666 1.652) 7.668 6.033 ( 3.917 2.981 -4.702) 6.807 6.630 ( -2.213 -0.070 10.300) 10.536 7.019 ( -2.901 -2.712 -6.617) 7.717 7.302 ( -2.785 -8.935 4.230) 10.270 10.091 ( 4.697 34.522 -2.375) 34.920 10.298 ( 7.487 4.485 3.376) 9.358 12.833 ( -7.906 0.893 0.148) 7.958 13.824 ( -4.066 -22.462 1.552) 22.880 13.869 ( 4.804 14.270 0.005) 15.057 13.960 ( 5.460 -8.393 0.030) 10.013 15.907 ( 1.654 10.008 -0.241) 10.147 16.141 ( -1.957 -9.540 0.651) 9.761 16.197 ( 5.276 -16.580 0.340) 17.402 16.861 ( 0.736 -1.407 0.333) 1.622 17.079 ( -5.239 3.486 0.141) 6.295 17.366 ( -7.425 -1.121 -5.401) 9.250 ======================= Grid point 25 (24/215) ======================= q-point: (-0.35 0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.566 ( 20.565 -20.921 -0.000) 29.336 3.876 ( 4.654 2.557 -0.000) 5.310 4.612 ( 0.609 5.171 0.000) 5.207 4.948 ( 15.023 -7.153 -0.000) 16.639 5.193 ( 8.199 1.926 -0.000) 8.422 5.425 ( 12.865 -1.041 -0.000) 12.907 5.488 ( 5.356 -0.188 -0.000) 5.359 5.590 ( 7.202 -0.763 -0.000) 7.243 5.773 ( 0.477 6.168 0.000) 6.186 5.904 ( -0.660 3.847 0.000) 3.903 6.246 ( 4.160 -1.430 -0.000) 4.399 7.326 ( 7.492 -7.014 -0.000) 10.263 7.376 ( 10.776 -5.197 -0.000) 11.964 7.679 ( 15.030 7.923 -0.000) 16.990 7.782 ( 20.411 1.551 -0.000) 20.470 10.051 ( -12.322 12.690 0.000) 17.688 10.948 ( -14.846 1.949 0.000) 14.973 12.107 ( 12.367 -1.226 -0.000) 12.428 13.165 ( -3.400 -8.698 -0.000) 9.339 14.496 ( 2.839 6.573 0.000) 7.160 14.738 ( -0.440 -16.909 -0.000) 16.915 15.246 ( -12.278 -0.369 0.000) 12.284 15.321 ( -2.063 -19.143 -0.000) 19.254 15.883 ( -8.620 16.971 0.000) 19.034 15.945 ( -10.075 -4.765 0.000) 11.145 16.496 ( 1.273 17.670 0.000) 17.716 16.846 ( 2.580 5.124 0.000) 5.736 ======================= Grid point 26 (25/215) ======================= q-point: (-0.35 -0.40 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( -14.306 -21.547 -1.882) 25.932 3.823 ( -3.423 -0.112 1.487) 3.733 4.490 ( -8.524 6.399 1.462) 10.758 4.898 ( -18.273 -6.729 0.853) 19.491 5.242 ( -13.435 -3.707 1.148) 13.984 5.447 ( -6.065 2.045 -0.341) 6.410 5.545 ( -6.760 4.615 -1.068) 8.254 5.583 ( -9.837 4.686 0.160) 10.897 5.739 ( -0.189 4.739 -4.368) 6.447 5.998 ( 7.867 -0.315 3.193) 8.496 6.276 ( -0.079 0.011 -1.782) 1.784 7.221 ( -17.467 -4.538 1.174) 18.085 7.433 ( -4.062 -7.806 -0.495) 8.814 7.646 ( -16.299 1.884 0.919) 16.433 7.798 ( -20.750 5.655 -0.513) 21.513 10.032 ( 11.837 12.491 0.355) 17.212 10.911 ( 14.179 0.725 0.634) 14.211 12.114 ( -12.044 -1.070 -0.131) 12.092 13.218 ( 4.924 -7.378 -0.888) 8.915 14.502 ( -2.844 6.879 -0.110) 7.445 14.754 ( 0.495 -17.001 -0.276) 17.011 15.247 ( 12.207 -0.178 -0.005) 12.208 15.327 ( 2.237 -19.237 -0.098) 19.366 15.877 ( 8.144 13.812 -0.197) 16.035 15.908 ( 9.401 -2.280 0.931) 9.719 16.490 ( -1.317 17.750 0.109) 17.799 16.840 ( -2.431 4.869 0.094) 5.443 ======================= Grid point 27 (26/215) ======================= q-point: (-0.35 -0.15 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -16.906 -16.731 -18.983) 30.432 2.555 ( -21.273 -23.892 -6.021) 32.551 3.391 ( -17.108 -10.641 12.107) 23.505 3.590 ( -18.768 -17.174 7.486) 26.518 3.931 ( -20.762 11.385 5.652) 24.344 4.203 ( -12.371 -0.892 -6.339) 13.929 4.501 ( -1.438 12.323 2.431) 12.642 4.819 ( -5.424 7.658 -4.567) 10.436 5.426 ( -3.964 -0.487 -0.222) 4.000 5.605 ( -8.020 3.427 -2.687) 9.126 5.782 ( -15.515 -6.050 -1.876) 16.759 6.137 ( -9.749 -7.044 7.129) 13.981 6.695 ( 2.420 2.716 -4.474) 5.766 6.840 ( 2.793 1.229 2.232) 3.781 7.070 ( 0.201 11.667 0.346) 11.674 10.604 ( -14.119 -3.246 -1.919) 14.614 10.871 ( 0.183 -31.830 2.123) 31.902 12.603 ( 15.855 -0.743 0.359) 15.877 13.266 ( 2.222 26.130 -2.284) 26.324 13.964 ( -8.757 5.699 -0.094) 10.449 14.338 ( -7.320 -18.186 -0.013) 19.604 15.846 ( 2.749 5.861 -0.256) 6.479 15.912 ( -3.981 18.626 0.120) 19.047 16.232 ( -3.354 -6.262 -0.436) 7.117 16.819 ( 1.922 2.112 0.610) 2.920 16.956 ( 11.726 -0.927 -0.569) 11.776 17.015 ( 16.387 0.532 2.393) 16.569 ======================= Grid point 28 (27/215) ======================= q-point: (-0.35 0.10 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 21.680 -20.412 -13.962) 32.888 2.463 ( 22.529 -24.862 -3.454) 33.728 3.584 ( 19.272 -14.317 7.435) 25.133 3.739 ( 20.752 -15.070 8.046) 26.879 4.010 ( 22.378 -6.692 -2.122) 23.453 4.121 ( 7.269 18.308 2.300) 19.832 4.536 ( 1.697 11.978 0.866) 12.129 4.705 ( 4.596 8.651 -6.706) 11.871 5.426 ( 3.055 -1.652 0.265) 3.483 5.558 ( 8.084 5.367 -2.129) 9.934 5.754 ( 13.923 -7.462 -1.010) 15.829 6.265 ( 7.606 -5.430 5.966) 11.087 6.607 ( 0.914 1.882 -4.493) 4.956 6.898 ( -1.787 2.853 3.512) 4.865 7.057 ( -1.445 9.375 -1.661) 9.630 10.575 ( 15.155 -2.976 -1.069) 15.481 10.902 ( -0.884 -33.008 1.155) 33.040 12.612 ( -15.448 -0.706 0.454) 15.471 13.225 ( -2.645 26.102 -1.777) 26.296 13.963 ( 8.688 5.557 -0.056) 10.313 14.338 ( 7.227 -18.208 -0.011) 19.590 15.844 ( -3.019 5.522 -0.026) 6.294 15.912 ( 4.275 19.378 -0.098) 19.845 16.226 ( 3.518 -7.167 -0.155) 7.985 16.822 ( -1.150 2.079 -0.134) 2.380 16.947 ( -11.683 -0.604 -0.332) 11.703 17.061 ( -17.230 2.493 2.084) 17.534 ======================= Grid point 29 (28/215) ======================= q-point: ( 0.09 0.41 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 9.986 13.822 -1.176) 17.092 4.102 ( 3.279 -4.697 -2.189) 6.132 4.615 ( -4.660 -0.059 1.302) 4.839 5.052 ( 27.606 5.867 0.341) 28.224 5.438 ( 9.109 -0.781 -0.576) 9.161 5.544 ( 0.860 -0.433 3.382) 3.517 5.584 ( 0.149 -1.225 1.337) 1.820 5.759 ( -2.760 -0.670 1.070) 3.035 5.900 ( -2.869 -1.987 -1.547) 3.818 6.060 ( 7.375 -2.571 -0.745) 7.846 6.157 ( -13.746 2.127 0.249) 13.911 7.111 ( 2.628 5.583 -1.083) 6.265 7.299 ( 6.530 3.408 0.139) 7.368 8.216 ( 18.227 -3.561 -1.900) 18.669 8.369 ( 12.062 -4.233 0.929) 12.817 10.589 ( -0.640 -11.458 -0.052) 11.476 10.795 ( -6.580 -2.098 -1.096) 6.993 12.227 ( 5.821 1.499 0.085) 6.012 12.706 ( -7.276 2.804 1.114) 7.877 14.229 ( -0.049 6.849 0.056) 6.849 14.470 ( -3.066 16.460 -0.018) 16.744 14.955 ( 0.433 -11.241 0.010) 11.250 15.136 ( -3.613 -1.381 0.151) 3.871 15.457 ( -5.318 8.987 -0.690) 10.465 16.141 ( -8.917 -5.126 0.446) 10.295 17.092 ( 1.844 -7.801 -0.062) 8.017 17.111 ( 1.528 -3.987 -0.332) 4.283 ======================= Grid point 30 (29/215) ======================= q-point: ( 0.09 -0.34 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -20.427 11.174 -3.330) 23.521 3.521 ( -34.162 2.190 -0.737) 34.240 4.201 ( -7.485 8.359 6.172) 12.806 4.735 ( -17.629 -2.113 6.072) 18.765 4.874 ( -8.222 2.203 0.039) 8.512 5.267 ( -7.213 -2.627 -5.897) 9.680 5.309 ( -8.942 1.175 -0.167) 9.020 5.484 ( -4.376 -0.140 -5.807) 7.272 5.893 ( -1.276 2.896 -3.069) 4.408 6.244 ( 4.499 -11.310 3.128) 12.568 6.449 ( -10.622 -14.497 -1.090) 18.004 6.815 ( -12.678 7.119 3.954) 15.068 6.972 ( -0.374 8.902 -2.468) 9.246 7.180 ( -25.687 3.251 2.646) 26.027 7.439 ( -27.203 -1.449 -0.303) 27.243 10.514 ( -6.743 -3.491 0.403) 7.603 11.399 ( 19.185 -2.018 1.569) 19.354 11.710 ( -18.382 2.161 -0.376) 18.512 13.151 ( 14.579 1.355 -1.871) 14.761 14.183 ( -3.037 7.288 -0.065) 7.896 14.798 ( 2.246 -4.453 -0.086) 4.988 14.876 ( 7.990 3.175 -0.178) 8.600 15.481 ( 13.567 0.702 -0.083) 13.586 15.787 ( 6.910 8.468 0.300) 10.934 16.697 ( 15.557 -6.989 0.409) 17.060 16.989 ( -2.437 -6.983 0.139) 7.398 17.031 ( -1.796 -5.908 0.770) 6.223 ======================= Grid point 31 (30/215) ======================= q-point: ( 0.09 -0.09 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -21.545 7.506 0.000) 22.815 0.946 ( -21.468 25.147 0.000) 33.064 1.733 ( -40.463 41.437 0.000) 57.916 2.666 ( -23.424 8.605 0.000) 24.955 3.004 ( -10.298 13.044 0.000) 16.619 4.806 ( 0.236 -2.293 -0.000) 2.305 5.010 ( -3.911 -9.504 -0.000) 10.278 5.135 ( 1.670 -17.610 -0.000) 17.689 5.347 ( -0.434 3.426 0.000) 3.454 5.548 ( -6.330 -4.438 -0.000) 7.730 5.586 ( -9.344 -4.309 0.000) 10.290 6.030 ( -5.247 0.837 0.000) 5.313 6.446 ( 0.259 1.540 0.000) 1.561 7.234 ( 4.275 -3.915 -0.000) 5.797 7.269 ( 4.091 0.953 -0.000) 4.201 9.484 ( -7.997 23.857 0.000) 25.162 10.205 ( -7.180 2.524 0.000) 7.611 12.818 ( 7.479 0.339 -0.000) 7.487 13.636 ( -5.175 7.887 0.000) 9.434 14.129 ( -5.369 -7.314 -0.000) 9.073 14.163 ( 5.321 -11.937 -0.000) 13.069 15.695 ( -3.520 8.941 0.000) 9.609 16.295 ( 7.627 -5.477 -0.000) 9.390 16.500 ( -3.432 -12.421 -0.000) 12.886 16.878 ( -0.676 -0.402 -0.000) 0.787 17.023 ( 2.137 1.791 0.000) 2.789 17.601 ( -4.457 -17.502 -0.000) 18.061 ======================= Grid point 32 (31/215) ======================= q-point: ( 0.09 0.16 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 20.131 8.853 12.415) 25.254 2.076 ( 32.729 14.239 2.269) 35.764 3.503 ( 31.653 10.317 -5.007) 33.667 3.581 ( 27.301 8.082 -5.935) 29.084 4.215 ( 38.033 8.224 2.969) 39.026 4.948 ( 2.029 -9.631 -6.534) 11.814 5.051 ( 4.085 -4.339 3.497) 6.910 5.217 ( 7.715 -4.032 1.322) 8.805 5.534 ( 13.455 -2.234 -2.790) 13.922 5.809 ( 3.782 -0.331 7.608) 8.503 6.109 ( 10.318 -8.780 1.243) 13.605 6.396 ( 14.704 0.747 -3.816) 15.210 6.632 ( 7.426 0.250 4.290) 8.580 6.809 ( -5.881 2.909 -9.918) 11.892 7.198 ( -6.807 -0.498 7.112) 9.857 10.009 ( 15.769 12.772 -1.230) 20.330 10.832 ( 20.525 2.537 1.655) 20.747 12.247 ( -19.027 -0.329 -1.040) 19.058 13.764 ( -13.871 -7.078 1.661) 15.661 13.947 ( 8.029 7.253 0.077) 10.820 14.485 ( 9.860 -8.163 0.308) 12.804 15.655 ( -18.525 1.431 -0.090) 18.580 15.902 ( -0.086 8.275 1.698) 8.448 16.140 ( -15.842 1.286 0.125) 15.895 16.899 ( 1.004 -1.843 0.293) 2.119 16.948 ( -0.591 -4.269 -0.102) 4.311 17.335 ( -10.352 -16.225 -6.471) 20.305 ======================= Grid point 33 (32/215) ======================= q-point: (-0.47 0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.830 ( -0.485 1.844 0.000) 1.907 4.363 ( -0.464 -8.641 -0.000) 8.653 4.620 ( 0.196 -0.497 -0.000) 0.535 5.357 ( -0.372 0.792 0.000) 0.875 5.486 ( 2.651 0.575 -0.000) 2.713 5.548 ( 0.818 0.260 -0.000) 0.858 5.608 ( -1.306 -0.651 0.000) 1.459 5.629 ( 0.822 0.339 -0.000) 0.889 5.697 ( -1.801 -0.004 0.000) 1.801 5.959 ( 0.048 1.444 0.000) 1.445 6.443 ( -0.209 -2.489 -0.000) 2.498 7.669 ( 0.760 -7.021 -0.000) 7.062 7.676 ( -1.099 -4.507 -0.000) 4.640 7.791 ( 0.701 7.381 0.000) 7.415 8.072 ( -0.253 6.553 0.000) 6.558 9.524 ( -0.169 7.837 0.000) 7.839 10.662 ( -0.167 -0.167 -0.000) 0.236 12.368 ( 0.013 -0.361 -0.000) 0.361 13.286 ( 0.226 -6.415 -0.000) 6.419 14.462 ( 0.040 2.464 0.000) 2.464 14.958 ( -0.057 1.056 0.000) 1.058 14.986 ( 0.354 -11.842 -0.000) 11.847 15.446 ( -0.096 10.717 0.000) 10.718 15.711 ( 0.311 -1.749 -0.000) 1.777 15.729 ( -0.460 -18.165 -0.000) 18.171 16.144 ( -0.145 18.742 0.000) 18.743 16.832 ( -0.054 2.028 0.000) 2.028 ======================= Grid point 34 (33/215) ======================= q-point: (-0.47 -0.28 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( -18.876 -11.206 -4.357) 22.380 3.690 ( -14.432 8.028 1.647) 16.596 3.743 ( -5.591 -10.400 -0.832) 11.837 4.451 ( -12.883 -0.745 1.619) 13.005 4.518 ( -22.971 0.371 -0.127) 22.974 4.655 ( -21.531 -1.403 7.195) 22.745 5.015 ( -10.231 5.149 -2.824) 11.797 5.076 ( -16.871 0.820 0.532) 16.900 5.638 ( -2.747 6.745 -6.801) 9.965 5.899 ( -11.239 2.733 4.112) 12.276 6.406 ( 4.550 1.066 -3.456) 5.812 6.683 ( -5.810 -4.472 -0.761) 7.371 6.863 ( -14.188 -4.597 4.582) 15.602 6.956 ( -19.911 -5.382 0.475) 20.631 7.140 ( -13.019 6.315 -1.339) 14.532 10.742 ( 22.032 -5.297 0.340) 22.663 11.420 ( -19.563 0.260 0.478) 19.570 11.755 ( 23.234 -0.701 -0.346) 23.247 13.108 ( -9.083 6.463 -0.725) 11.172 14.243 ( -6.797 1.468 0.008) 6.954 15.001 ( -6.418 -15.002 -0.115) 16.318 15.656 ( 0.269 14.481 -0.070) 14.484 15.784 ( 0.265 -6.328 -0.145) 6.335 16.070 ( 23.370 0.021 0.559) 23.377 16.320 ( 10.712 3.572 0.002) 11.291 16.332 ( 6.872 0.773 0.265) 6.920 16.736 ( 1.208 1.913 -0.137) 2.267 ======================= Grid point 35 (34/215) ======================= q-point: (-0.47 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 0.000 -9.004 -13.547) 16.266 2.196 ( 0.000 -8.241 -2.790) 8.700 3.080 ( -0.000 -5.382 1.990) 5.738 3.134 ( -0.000 13.035 9.188) 15.947 3.866 ( -0.000 -20.972 5.080) 21.579 4.183 ( 0.000 1.954 -3.702) 4.186 4.277 ( 0.000 5.822 1.059) 5.918 4.491 ( 0.000 6.371 -4.223) 7.644 5.208 ( 0.000 2.148 -0.104) 2.151 5.430 ( 0.000 0.067 -0.746) 0.749 5.692 ( -0.000 -23.274 -0.290) 23.276 6.132 ( -0.000 3.138 3.970) 5.060 6.369 ( 0.000 16.327 -1.024) 16.360 6.844 ( -0.000 2.470 1.392) 2.836 7.027 ( 0.000 1.040 -1.558) 1.873 10.305 ( 0.000 -0.227 -1.000) 1.026 11.680 ( -0.000 -35.733 1.957) 35.787 12.658 ( 0.000 31.166 -1.536) 31.203 12.977 ( -0.000 -0.245 -0.064) 0.253 13.666 ( 0.000 2.083 0.019) 2.083 14.521 ( -0.000 -13.399 0.076) 13.400 15.394 ( 0.000 13.571 -0.108) 13.571 15.764 ( 0.000 4.753 -0.359) 4.767 16.231 ( -0.000 -3.307 0.045) 3.307 16.835 ( 0.000 0.179 -0.065) 0.191 17.298 ( 0.000 -1.492 -0.534) 1.585 17.410 ( -0.000 -0.147 1.203) 1.212 ======================= Grid point 36 (35/215) ======================= q-point: (-0.47 0.22 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 22.201 -22.379 -5.583) 32.013 3.687 ( 8.434 -14.190 -1.262) 16.555 3.963 ( 12.060 19.541 8.580) 24.514 4.495 ( 17.092 10.100 0.733) 19.867 4.558 ( 18.202 -2.858 1.563) 18.491 4.761 ( 12.510 6.843 -7.819) 16.262 4.930 ( 16.394 -2.112 3.133) 16.824 5.141 ( 21.209 4.777 2.454) 21.878 5.537 ( 0.843 -0.902 3.017) 3.260 5.812 ( 8.878 -5.270 -7.724) 12.893 6.317 ( -1.799 -7.239 -0.439) 7.473 6.773 ( 7.416 3.694 4.538) 9.447 6.937 ( 14.725 1.486 -2.129) 14.952 7.006 ( 14.659 -3.509 2.191) 15.232 7.065 ( 13.808 2.970 -1.803) 14.238 10.766 ( -22.651 -3.204 0.662) 22.886 11.406 ( 19.583 -1.075 -1.037) 19.640 11.770 ( -22.858 0.799 0.958) 22.892 13.070 ( 9.554 3.037 -0.845) 10.061 14.243 ( 6.810 1.465 0.010) 6.966 14.995 ( 6.258 -15.361 -0.126) 16.587 15.652 ( -0.653 13.582 -0.104) 13.598 15.779 ( -0.344 -6.831 -0.086) 6.840 16.096 ( -23.590 2.878 0.516) 23.771 16.320 ( -11.034 5.206 -0.000) 12.200 16.345 ( -6.011 0.190 0.222) 6.018 16.731 ( -0.981 1.462 -0.068) 1.761 ======================= Grid point 37 (36/215) ======================= q-point: (-0.03 -0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -9.557 0.000 1.301) 9.645 4.156 ( -2.808 0.000 2.401) 3.694 4.616 ( 5.803 -0.000 -1.479) 5.989 4.983 ( -31.277 0.000 -0.362) 31.279 5.446 ( -10.262 0.000 1.242) 10.337 5.549 ( -0.777 0.000 -3.678) 3.760 5.598 ( 0.728 0.000 -2.083) 2.207 5.764 ( 2.984 -0.000 -0.965) 3.136 5.926 ( -1.675 0.000 1.280) 2.108 6.077 ( -1.197 0.000 0.750) 1.412 6.144 ( 15.432 -0.000 -0.246) 15.434 7.051 ( -3.629 0.000 1.714) 4.013 7.263 ( -6.452 0.000 -0.474) 6.469 8.251 ( -20.047 0.000 1.501) 20.103 8.415 ( -12.216 0.000 -0.299) 12.220 10.706 ( 0.875 -0.000 -0.093) 0.880 10.819 ( 6.553 -0.000 1.210) 6.664 12.211 ( -5.844 0.000 -0.101) 5.845 12.692 ( 6.143 -0.000 -1.174) 6.254 14.157 ( -0.208 0.000 0.004) 0.208 14.283 ( 4.793 -0.000 0.073) 4.793 15.125 ( -1.953 0.000 0.003) 1.953 15.151 ( 3.336 -0.000 -0.160) 3.340 15.311 ( 6.712 -0.000 0.653) 6.744 16.194 ( 9.356 -0.000 -0.524) 9.371 17.152 ( -1.452 0.000 0.383) 1.501 17.174 ( -1.874 0.000 0.059) 1.875 ======================= Grid point 38 (37/215) ======================= q-point: (-0.03 -0.22 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -19.354 0.000 -12.977) 23.302 1.919 ( -36.318 0.000 -1.763) 36.360 3.380 ( -35.431 0.000 1.464) 35.461 3.513 ( -26.985 0.000 7.639) 28.046 4.123 ( -40.125 0.000 -1.480) 40.152 5.060 ( 0.590 -0.000 10.246) 10.263 5.093 ( -4.768 0.000 -8.560) 9.799 5.235 ( -5.562 0.000 0.469) 5.582 5.567 ( -17.038 0.000 4.908) 17.730 5.820 ( -2.243 0.000 -8.972) 9.248 6.207 ( -13.125 0.000 -2.146) 13.300 6.392 ( -13.533 0.000 2.756) 13.811 6.633 ( -6.825 0.000 -5.979) 9.073 6.771 ( 7.524 -0.000 11.875) 14.058 7.200 ( 8.492 -0.000 -7.577) 11.381 9.873 ( -19.664 0.000 1.122) 19.696 10.804 ( -20.730 0.000 -1.564) 20.789 12.251 ( 18.793 -0.000 1.040) 18.822 13.835 ( 15.739 -0.000 -1.581) 15.818 13.872 ( -8.117 0.000 -0.065) 8.118 14.577 ( -10.369 0.000 0.053) 10.370 15.649 ( 22.310 -0.000 -0.115) 22.310 15.800 ( -2.043 0.000 -2.350) 3.114 16.122 ( 16.554 -0.000 0.041) 16.554 16.918 ( -1.323 0.000 -0.334) 1.364 16.994 ( -0.417 0.000 0.205) 0.465 17.519 ( 12.507 -0.000 7.927) 14.808 ======================= Grid point 39 (38/215) ======================= q-point: (-0.03 0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 21.360 0.000 -0.000) 21.360 0.565 ( 28.658 0.000 -0.000) 28.658 1.260 ( 60.242 0.000 -0.000) 60.242 2.580 ( 27.085 0.000 -0.000) 27.085 2.856 ( 8.993 0.000 -0.000) 8.993 4.798 ( 3.600 0.000 -0.000) 3.600 5.137 ( 1.756 0.000 -0.000) 1.756 5.297 ( 1.205 0.000 -0.000) 1.205 5.320 ( -3.507 -0.000 0.000) 3.507 5.627 ( 2.054 0.000 -0.000) 2.054 5.639 ( 10.054 0.000 -0.000) 10.054 6.035 ( 4.908 0.000 -0.000) 4.908 6.434 ( -0.349 -0.000 0.000) 0.349 7.231 ( -1.842 -0.000 0.000) 1.842 7.274 ( -4.849 -0.000 0.000) 4.849 9.225 ( 9.770 0.000 -0.000) 9.770 10.167 ( 7.925 0.000 -0.000) 7.925 12.815 ( -7.415 -0.000 0.000) 7.415 13.554 ( 5.324 0.000 -0.000) 5.324 14.214 ( 5.612 0.000 -0.000) 5.612 14.286 ( -6.114 -0.000 0.000) 6.114 15.595 ( 4.107 0.000 -0.000) 4.107 16.350 ( -9.749 -0.000 0.000) 9.749 16.653 ( -7.478 -0.000 0.000) 7.478 16.873 ( 0.477 0.000 -0.000) 0.477 17.005 ( -0.451 -0.000 0.000) 0.451 18.055 ( -6.035 -0.000 0.000) 6.035 ======================= Grid point 40 (39/215) ======================= q-point: (-0.03 0.28 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 19.800 -0.000 3.239) 20.063 3.499 ( 39.073 -0.000 0.632) 39.078 4.110 ( 5.744 -0.000 -6.119) 8.393 4.767 ( 30.282 -0.000 -6.223) 30.915 4.838 ( -4.147 0.000 0.559) 4.184 5.293 ( 9.575 -0.000 -0.828) 9.611 5.300 ( 6.490 -0.000 7.190) 9.686 5.485 ( 3.991 -0.000 5.841) 7.074 5.862 ( 1.380 -0.000 3.318) 3.593 6.387 ( -10.461 0.000 -5.247) 11.703 6.684 ( 24.495 -0.000 -0.882) 24.510 6.729 ( 14.491 -0.000 -0.619) 14.504 6.784 ( -12.405 0.000 2.806) 12.719 7.146 ( 26.338 -0.000 -3.192) 26.531 7.454 ( 28.496 -0.000 0.466) 28.499 10.552 ( 10.714 -0.000 -0.316) 10.719 11.423 ( -19.485 0.000 -1.880) 19.576 11.685 ( 19.205 -0.000 0.564) 19.213 13.136 ( -16.285 0.000 1.857) 16.390 14.107 ( 3.004 -0.000 0.012) 3.004 14.752 ( -18.118 0.000 0.044) 18.118 14.949 ( 6.641 -0.000 -0.036) 6.641 15.475 ( -12.948 0.000 0.124) 12.948 15.684 ( -7.563 0.000 0.051) 7.563 16.764 ( -14.860 0.000 -0.168) 14.861 17.061 ( 2.793 -0.000 -0.185) 2.799 17.100 ( -0.229 0.000 -1.140) 1.163 ======================= Grid point 41 (40/215) ======================= q-point: ( 0.41 -0.41 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.835 ( -0.782 -1.516 -0.000) 1.706 3.962 ( -18.034 16.837 0.000) 24.672 4.446 ( -7.135 -11.131 -0.000) 13.221 5.014 ( -11.853 -0.282 0.000) 11.857 5.220 ( -11.120 4.681 0.000) 12.065 5.450 ( -6.334 0.394 0.000) 6.346 5.485 ( -7.212 -0.503 0.000) 7.230 5.493 ( -14.998 -6.463 0.000) 16.331 5.784 ( 1.934 4.567 0.000) 4.959 5.830 ( -0.869 -2.697 -0.000) 2.834 6.289 ( -2.664 1.898 0.000) 3.271 7.412 ( -16.313 -2.841 0.000) 16.558 7.463 ( -10.690 6.159 0.000) 12.338 7.575 ( -8.987 -0.776 0.000) 9.020 7.737 ( -15.641 -2.688 0.000) 15.871 9.859 ( 17.669 -5.410 -0.000) 18.478 10.919 ( 14.343 -1.011 -0.000) 14.379 12.124 ( -12.234 0.459 0.000) 12.243 13.304 ( -1.140 4.296 0.000) 4.444 14.411 ( -2.218 -1.929 -0.000) 2.939 15.105 ( 2.409 18.331 0.000) 18.489 15.256 ( 13.514 0.767 -0.000) 13.536 15.514 ( 4.879 -18.689 -0.000) 19.316 15.709 ( 1.012 18.779 0.000) 18.806 15.997 ( 10.033 -0.827 -0.000) 10.067 16.126 ( 0.090 -17.017 -0.000) 17.017 16.769 ( -2.319 -2.075 -0.000) 3.112 ======================= Grid point 42 (41/215) ======================= q-point: ( 0.41 -0.16 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -22.182 22.728 9.516) 33.153 2.931 ( -27.922 18.938 2.270) 33.814 3.511 ( -11.222 -20.372 -11.255) 25.839 3.860 ( -13.822 -7.693 -3.044) 16.109 3.925 ( -15.032 5.261 -1.422) 15.990 4.052 ( -8.181 -0.126 1.730) 8.363 4.459 ( -3.669 -4.712 5.697) 8.253 4.568 ( -5.758 2.037 -0.693) 6.147 5.423 ( -5.882 -1.468 -0.824) 6.118 5.556 ( -5.004 3.672 2.042) 6.534 6.017 ( -15.610 17.994 0.358) 23.825 6.334 ( -6.532 -0.708 -3.046) 7.242 6.444 ( -6.727 -12.797 2.346) 14.646 6.834 ( 1.067 -4.289 -1.477) 4.659 6.927 ( 2.663 -1.414 0.490) 3.055 10.620 ( -15.306 1.657 0.502) 15.403 11.506 ( 11.347 20.827 -0.913) 23.735 12.609 ( 13.252 -2.684 -1.272) 13.581 12.736 ( -2.542 -15.376 2.113) 15.727 13.886 ( -9.053 -1.895 0.004) 9.249 14.694 ( -7.227 13.702 -0.005) 15.491 15.526 ( -5.045 -14.445 -0.024) 15.300 15.760 ( -0.382 -2.420 0.125) 2.453 16.333 ( -3.217 2.777 -0.048) 4.250 16.790 ( 2.082 -0.985 0.226) 2.314 16.964 ( 14.384 0.876 0.440) 14.417 17.029 ( 18.154 -1.193 -1.025) 18.222 ======================= Grid point 43 (42/215) ======================= q-point: ( 0.41 0.09 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 20.651 13.213 11.038) 26.887 2.994 ( 26.602 17.030 4.315) 31.879 3.287 ( 13.454 -14.501 -10.656) 22.469 3.795 ( 7.803 -3.917 -3.579) 9.436 3.878 ( 19.714 10.112 -2.888) 22.343 4.108 ( 7.896 -6.000 3.328) 10.460 4.455 ( 3.281 4.819 -4.566) 7.406 4.634 ( 5.725 -9.410 5.479) 12.302 5.416 ( 5.454 -1.276 0.128) 5.603 5.594 ( 6.085 0.838 1.783) 6.396 6.030 ( 16.092 17.455 1.104) 23.767 6.272 ( 8.196 3.778 -3.472) 9.670 6.484 ( 5.625 -16.373 1.883) 17.414 6.807 ( -1.302 -1.272 -1.194) 2.177 6.932 ( -3.147 -2.010 -0.088) 3.736 10.632 ( 15.067 0.481 0.756) 15.093 11.481 ( -10.900 22.615 -1.615) 25.157 12.597 ( -13.277 -3.153 0.158) 13.647 12.770 ( 2.293 -16.490 1.284) 16.698 13.886 ( 9.058 -1.911 0.005) 9.258 14.694 ( 7.288 13.698 -0.005) 15.516 15.526 ( 5.001 -14.350 -0.029) 15.196 15.763 ( 0.317 -2.754 0.200) 2.779 16.332 ( 3.152 2.801 -0.036) 4.217 16.791 ( -2.282 -0.678 -0.212) 2.390 16.975 ( -14.168 0.691 0.571) 14.196 17.008 ( -18.145 -0.288 -0.929) 18.171 ======================= Grid point 44 (43/215) ======================= q-point: ( 0.41 0.34 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.810 ( 0.927 0.728 0.056) 1.180 4.068 ( 12.024 15.200 1.372) 19.429 4.326 ( 13.168 -8.501 -1.621) 15.758 4.987 ( 13.346 2.452 -0.542) 13.580 5.331 ( 11.182 3.599 0.062) 11.747 5.385 ( 7.419 -3.617 -3.529) 8.977 5.473 ( 9.350 -0.230 0.143) 9.354 5.510 ( 13.126 -2.850 0.102) 13.432 5.671 ( 0.817 -2.267 8.020) 8.374 5.987 ( -6.719 -1.242 -5.796) 8.960 6.285 ( 2.189 0.294 2.033) 3.002 7.317 ( 18.087 4.532 -0.463) 18.651 7.543 ( 8.597 1.675 -0.247) 8.762 7.596 ( 10.924 -2.354 0.677) 11.195 7.709 ( 16.053 -1.984 -0.212) 16.177 9.850 ( -17.438 -4.592 -0.191) 18.034 10.906 ( -14.120 0.197 -0.198) 14.123 12.126 ( 12.125 0.216 0.059) 12.128 13.324 ( 0.510 2.418 0.330) 2.493 14.412 ( 2.269 -2.051 0.014) 3.058 15.120 ( -2.487 18.157 0.253) 18.328 15.254 ( -13.450 0.619 -0.043) 13.464 15.507 ( -4.655 -18.918 -0.090) 19.483 15.716 ( -1.104 18.742 0.117) 18.774 15.983 ( -10.054 0.991 -0.246) 10.106 16.116 ( 0.183 -17.298 -0.157) 17.300 16.768 ( 2.257 -1.914 -0.027) 2.960 ======================= Grid point 45 (44/215) ======================= q-point: (-0.15 -0.35 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -16.317 -11.439 -4.761) 20.488 3.537 ( -32.478 -2.160 -0.770) 32.558 4.072 ( -10.112 -8.775 6.597) 14.926 4.604 ( -23.542 2.755 6.875) 24.680 4.851 ( -4.982 -2.027 2.383) 5.883 5.344 ( -9.754 -0.912 -4.399) 10.739 5.409 ( -6.844 3.500 -7.214) 10.542 5.588 ( -3.689 1.143 -4.824) 6.179 5.968 ( 1.702 -2.862 -4.460) 5.565 6.167 ( 4.388 8.761 4.722) 10.876 6.474 ( -9.381 13.164 -1.517) 16.236 6.735 ( -18.408 -4.589 4.396) 19.474 7.008 ( 0.412 -8.361 -1.242) 8.462 7.121 ( -23.519 -4.747 3.258) 24.214 7.443 ( -27.376 1.583 -0.124) 27.422 10.504 ( -7.159 3.675 0.548) 8.066 11.361 ( 19.582 1.509 2.269) 19.771 11.720 ( -18.382 -1.925 -0.646) 18.494 13.195 ( 14.797 -1.370 -2.537) 15.076 14.184 ( -3.021 -7.404 -0.093) 7.997 14.800 ( 2.706 3.978 -0.125) 4.813 14.881 ( 7.722 -3.070 -0.257) 8.314 15.484 ( 13.467 -0.671 -0.159) 13.485 15.779 ( 7.803 -7.815 0.496) 11.054 16.687 ( 14.512 7.447 0.691) 16.326 16.985 ( -2.479 6.916 0.199) 7.350 17.014 ( -2.468 5.128 0.942) 5.769 ======================= Grid point 46 (45/215) ======================= q-point: (-0.15 -0.10 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -11.654 -6.191 -27.614) 30.605 1.017 ( -18.155 -24.658 -7.947) 31.635 1.780 ( -39.668 -37.475 -5.255) 54.822 2.612 ( -22.433 -8.157 5.843) 24.574 2.946 ( -11.750 -16.045 5.968) 20.764 4.864 ( -0.103 6.703 -3.763) 7.688 4.968 ( -1.769 7.314 4.977) 9.022 5.012 ( -1.766 11.847 5.365) 13.124 5.311 ( -0.674 -3.952 4.985) 6.397 5.550 ( -7.528 2.747 -0.538) 8.031 5.601 ( -10.815 4.423 0.783) 11.711 6.070 ( -1.786 5.185 -6.597) 8.578 6.718 ( 8.698 10.001 -21.060) 24.884 7.018 ( 3.561 -2.150 12.807) 13.465 7.436 ( 4.135 3.999 -8.066) 9.907 9.466 ( -8.078 -23.706 1.796) 25.109 10.235 ( -6.980 -2.807 -2.900) 8.063 12.823 ( 7.826 -0.091 -0.668) 7.854 13.636 ( -5.192 -7.874 0.010) 9.432 14.129 ( -5.100 7.340 0.060) 8.938 14.196 ( 6.155 13.127 -2.993) 14.804 15.703 ( -3.969 -8.140 -0.740) 9.086 16.300 ( 7.489 5.198 -0.550) 9.133 16.497 ( -3.546 12.259 0.338) 12.766 16.884 ( -0.823 0.548 -0.659) 1.188 17.021 ( 2.121 -1.871 0.186) 2.835 17.423 ( -6.551 5.673 15.865) 18.078 ======================= Grid point 47 (46/215) ======================= q-point: (-0.15 0.15 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 23.322 -9.395 -0.000) 25.143 2.054 ( 33.167 -13.882 -0.000) 35.955 3.550 ( 35.034 -14.927 -0.000) 38.082 3.642 ( 25.693 -5.077 -0.000) 26.189 4.189 ( 36.591 -6.945 -0.000) 37.245 4.959 ( 5.511 4.202 0.000) 6.930 5.079 ( -0.949 10.648 0.000) 10.690 5.206 ( 6.041 3.993 0.000) 7.242 5.548 ( 13.506 4.213 -0.000) 14.148 5.733 ( 3.816 -1.441 -0.000) 4.079 6.094 ( 10.963 7.916 0.000) 13.522 6.451 ( 14.207 -0.873 -0.000) 14.234 6.571 ( 10.836 -1.830 -0.000) 10.990 6.948 ( -8.229 -1.448 0.000) 8.356 7.088 ( -4.881 -0.209 0.000) 4.885 10.021 ( 15.567 -12.886 -0.000) 20.208 10.816 ( 20.840 -2.460 -0.000) 20.984 12.258 ( -18.670 0.332 0.000) 18.673 13.747 ( -13.976 7.177 0.000) 15.711 13.946 ( 8.024 -7.244 -0.000) 10.811 14.482 ( 9.884 8.349 0.000) 12.938 15.656 ( -18.821 -1.479 0.000) 18.879 15.885 ( 0.636 -8.877 -0.000) 8.899 16.138 ( -15.950 -1.134 0.000) 15.990 16.896 ( 1.111 1.770 0.000) 2.090 16.949 ( -0.601 4.394 0.000) 4.435 17.400 ( -12.266 17.445 0.000) 21.326 ======================= Grid point 48 (47/215) ======================= q-point: (-0.15 0.40 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 10.195 -13.627 -0.849) 17.040 4.145 ( 1.256 5.146 -2.028) 5.672 4.584 ( -4.367 -0.429 1.621) 4.677 5.046 ( 27.455 -5.810 0.316) 28.065 5.443 ( 6.890 2.146 -0.043) 7.216 5.505 ( 2.518 -0.079 1.041) 2.726 5.560 ( 2.644 -0.158 0.951) 2.815 5.741 ( -0.055 0.597 0.752) 0.962 5.917 ( -2.952 1.716 -0.413) 3.439 6.074 ( 5.273 3.183 -0.645) 6.193 6.151 ( -13.290 -2.625 0.382) 13.553 7.134 ( 2.168 -4.628 -1.125) 5.233 7.294 ( 6.513 -3.983 0.386) 7.644 8.252 ( 17.446 2.766 -1.796) 17.755 8.348 ( 11.878 5.393 1.120) 13.092 10.590 ( -0.689 11.269 -0.037) 11.290 10.814 ( -7.460 2.278 -0.781) 7.839 12.226 ( 5.929 -1.524 0.056) 6.122 12.686 ( -6.384 -2.911 0.805) 7.062 14.228 ( -0.017 -6.756 0.038) 6.756 14.470 ( -3.068 -16.381 -0.013) 16.666 14.955 ( 0.509 11.309 -0.005) 11.320 15.134 ( -3.521 1.367 0.114) 3.779 15.469 ( -5.829 -9.094 -0.492) 10.813 16.134 ( -8.686 5.002 0.328) 10.028 17.093 ( 1.781 7.852 -0.055) 8.052 17.117 ( 1.279 4.010 -0.229) 4.215 ======================= Grid point 49 (48/215) ======================= q-point: ( 0.29 -0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -24.324 22.309 0.000) 33.005 3.325 ( -20.675 17.247 0.000) 26.924 4.411 ( -13.724 -5.930 0.000) 14.950 4.519 ( -16.716 -4.689 0.000) 17.361 4.566 ( -4.127 7.132 0.000) 8.240 4.836 ( -7.925 -8.316 -0.000) 11.487 5.040 ( -21.193 -11.243 0.000) 23.991 5.194 ( -27.138 5.690 0.000) 27.728 5.632 ( -8.845 -0.400 0.000) 8.854 5.672 ( 0.991 -11.630 -0.000) 11.672 6.113 ( -3.522 10.329 0.000) 10.913 6.872 ( -18.590 2.946 0.000) 18.822 6.909 ( -9.568 -1.425 0.000) 9.674 7.035 ( -5.396 -1.300 0.000) 5.550 7.042 ( -11.223 1.682 0.000) 11.348 10.645 ( 12.638 8.711 0.000) 15.349 11.361 ( -19.968 2.027 0.000) 20.071 11.803 ( 21.693 -1.142 -0.000) 21.723 13.183 ( -1.473 -8.201 -0.000) 8.332 14.310 ( -6.894 -5.293 -0.000) 8.692 14.629 ( -5.696 17.825 0.000) 18.713 15.586 ( 9.195 10.389 0.000) 13.874 15.849 ( 11.111 -2.684 -0.000) 11.430 16.250 ( 3.281 6.768 0.000) 7.521 16.315 ( 14.282 -18.515 -0.000) 23.383 16.543 ( 5.288 -12.017 -0.000) 13.129 16.784 ( 0.401 -3.486 -0.000) 3.509 ======================= Grid point 50 (49/215) ======================= q-point: ( 0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -0.000 19.210 23.409) 30.282 1.784 ( 0.000 22.128 4.596) 22.600 2.953 ( 0.000 12.439 -3.115) 12.823 3.415 ( 0.000 34.114 -7.183) 34.862 3.646 ( 0.000 16.255 -3.130) 16.554 3.989 ( -0.000 -18.034 -1.481) 18.095 4.515 ( -0.000 -12.722 -1.567) 12.819 4.561 ( -0.000 -10.343 6.988) 12.482 5.284 ( -0.000 -4.708 -0.313) 4.718 5.397 ( -0.000 0.279 1.816) 1.838 5.421 ( 0.000 4.265 -0.555) 4.301 6.136 ( 0.000 8.795 -7.881) 11.809 6.624 ( -0.000 -7.123 6.922) 9.932 6.939 ( 0.000 -4.080 -2.498) 4.783 7.114 ( -0.000 -10.775 0.909) 10.813 10.246 ( -0.000 2.251 1.845) 2.911 10.894 ( 0.000 41.755 -1.496) 41.782 12.942 ( 0.000 1.373 -0.001) 1.373 13.308 ( -0.000 -30.799 1.183) 30.821 13.750 ( -0.000 -5.961 -0.033) 5.961 14.165 ( 0.000 18.609 -0.064) 18.609 15.754 ( -0.000 -18.967 0.130) 18.968 15.923 ( -0.000 -11.167 0.669) 11.187 16.105 ( 0.000 8.956 -0.093) 8.957 16.838 ( -0.000 -0.501 0.292) 0.579 17.227 ( 0.000 3.826 0.515) 3.861 17.455 ( 0.000 -0.488 -2.517) 2.564 ======================= Grid point 51 (50/215) ======================= q-point: ( 0.29 0.21 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 19.206 21.307 9.731) 30.291 3.393 ( 19.130 16.654 2.946) 25.535 4.075 ( 14.805 -6.824 -10.616) 19.454 4.340 ( 13.740 11.711 -6.072) 19.048 4.569 ( 13.152 -1.490 -2.410) 13.453 4.972 ( 23.171 -15.366 -3.234) 27.991 5.051 ( 9.041 -6.812 4.921) 12.344 5.156 ( 14.941 -2.715 0.925) 15.214 5.698 ( 1.955 -9.688 2.940) 10.312 5.851 ( 14.689 2.660 5.797) 16.014 6.223 ( 0.093 7.010 6.069) 9.272 6.715 ( 3.975 -0.173 -5.730) 6.976 6.833 ( 18.770 6.074 -3.128) 19.974 6.917 ( 17.019 1.663 -3.685) 17.493 7.201 ( 6.078 -3.127 3.386) 7.627 10.606 ( -11.647 8.948 -1.448) 14.759 11.400 ( 20.347 1.701 1.145) 20.450 11.761 ( -23.092 -0.512 -1.333) 23.136 13.247 ( 1.013 -9.124 2.544) 9.526 14.312 ( 6.865 -5.602 0.118) 8.861 14.635 ( 5.825 17.817 0.260) 18.747 15.594 ( -9.230 10.220 0.377) 13.776 15.863 ( -11.426 -2.187 0.612) 11.649 16.228 ( -4.373 2.345 -0.989) 5.059 16.265 ( -12.236 -13.020 -2.087) 17.989 16.541 ( -5.365 -11.950 -0.075) 13.100 16.792 ( -0.693 -3.669 0.346) 3.750 ======================= Grid point 52 (51/215) ======================= q-point: ( 0.29 -0.54 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.899 ( 0.990 -4.303 0.216) 4.421 4.047 ( 1.046 20.129 -0.147) 20.156 4.602 ( -0.797 1.181 -0.029) 1.425 5.399 ( 1.124 -1.881 -1.251) 2.523 5.481 ( -5.733 -0.826 2.076) 6.153 5.568 ( 2.418 -1.106 0.862) 2.795 5.577 ( -2.119 -0.511 -0.734) 2.300 5.664 ( -2.146 0.457 -1.192) 2.497 5.695 ( 4.879 -0.326 0.116) 4.891 6.013 ( -0.066 -3.608 0.002) 3.608 6.346 ( 0.377 6.733 -0.013) 6.744 7.474 ( -0.525 9.906 0.520) 9.933 7.576 ( 0.720 5.750 -0.352) 5.805 7.994 ( 0.207 -11.426 -0.198) 11.430 8.238 ( -0.346 -8.421 0.144) 8.429 9.815 ( 0.284 -19.238 -0.041) 19.240 10.662 ( 0.378 -0.412 0.032) 0.560 12.353 ( -0.022 1.175 -0.008) 1.176 13.059 ( -0.465 14.300 0.003) 14.308 14.560 ( -0.086 -6.911 0.004) 6.912 14.695 ( -0.258 14.709 0.001) 14.711 14.998 ( -0.059 -2.585 -0.010) 2.585 15.323 ( -0.106 20.989 0.000) 20.989 15.661 ( 0.570 3.775 -0.002) 3.818 15.694 ( -0.074 -11.895 0.009) 11.895 16.533 ( 0.089 -18.513 0.000) 18.513 16.908 ( 0.116 -5.130 -0.000) 5.132 ======================= Grid point 53 (52/215) ======================= q-point: (-0.27 -0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -16.426 -14.907 -15.926) 27.307 2.519 ( -25.315 -21.145 -4.685) 33.315 3.531 ( -24.916 -10.942 10.253) 29.081 3.728 ( -22.894 -16.354 9.739) 29.773 4.541 ( -28.080 -7.310 -6.765) 29.794 4.557 ( -13.596 11.625 5.076) 18.595 4.962 ( -11.696 12.788 0.234) 17.331 5.075 ( -7.101 8.866 -3.170) 11.793 5.525 ( -8.497 -1.591 -1.139) 8.720 5.884 ( -4.499 10.431 0.067) 11.360 5.978 ( -10.319 -1.863 -7.296) 12.775 6.345 ( -17.542 -2.554 4.645) 18.326 6.669 ( -2.905 -0.870 0.863) 3.152 6.734 ( 4.411 -2.468 4.875) 7.023 7.252 ( 2.360 5.131 -3.796) 6.805 10.330 ( -6.629 -20.630 1.848) 21.747 10.934 ( -19.442 -3.143 -2.090) 19.805 12.218 ( 20.390 0.081 1.230) 20.428 13.588 ( 8.333 14.239 -2.584) 16.699 14.166 ( -7.861 -13.682 -0.134) 15.780 14.304 ( -9.115 9.331 -0.540) 13.055 15.705 ( 13.279 -3.197 -0.007) 13.659 16.102 ( 3.692 -6.772 -1.090) 7.790 16.152 ( 8.293 1.077 -0.558) 8.381 16.813 ( 5.579 10.948 2.761) 12.595 16.829 ( 4.522 7.207 1.095) 8.579 16.901 ( 3.654 6.915 1.701) 8.004 ======================= Grid point 55 (53/215) ======================= q-point: (-0.27 0.27 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 23.114 -18.582 -0.000) 29.657 3.580 ( 25.014 -4.468 -0.000) 25.410 4.485 ( 8.209 -11.494 -0.000) 14.124 4.728 ( 0.950 5.140 0.000) 5.227 4.930 ( 25.296 -2.664 -0.000) 25.436 5.117 ( 6.880 4.738 0.000) 8.353 5.388 ( 4.967 1.017 -0.000) 5.070 5.405 ( 8.973 -5.014 -0.000) 10.278 5.930 ( 2.201 -1.182 -0.000) 2.498 5.993 ( 0.015 14.645 0.000) 14.645 6.163 ( 12.260 9.162 0.000) 15.305 7.036 ( 8.878 -6.939 -0.000) 11.268 7.065 ( 5.259 -4.972 -0.000) 7.237 7.273 ( 24.128 -3.332 -0.000) 24.357 7.395 ( 22.894 2.571 -0.000) 23.038 10.432 ( -3.625 4.529 0.000) 5.802 11.363 ( -19.298 2.470 0.000) 19.455 11.757 ( 17.472 -2.328 -0.000) 17.626 13.168 ( -8.748 -1.963 0.000) 8.965 14.395 ( 2.999 -13.368 -0.000) 13.700 14.594 ( 4.941 10.308 0.000) 11.431 15.096 ( -11.214 -14.092 -0.000) 18.010 15.505 ( -15.098 -1.703 0.000) 15.194 15.980 ( -6.818 -8.998 -0.000) 11.289 16.466 ( -14.121 16.087 0.000) 21.405 16.785 ( 1.305 12.736 0.000) 12.802 16.906 ( 2.875 6.036 0.000) 6.686 ======================= Grid point 56 (54/215) ======================= q-point: (-0.27 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.448 ( -10.587 -22.073 0.552) 24.487 3.964 ( -3.849 5.223 1.015) 6.567 4.622 ( 1.624 0.638 -0.191) 1.755 5.180 ( -21.014 -5.104 -0.028) 21.626 5.427 ( -9.139 -0.295 -0.034) 9.144 5.556 ( -0.606 2.083 0.036) 2.170 5.609 ( 2.857 1.119 -4.989) 5.857 5.737 ( 2.228 3.168 0.006) 3.873 5.819 ( 6.609 1.090 3.075) 7.370 5.982 ( -9.055 3.744 -0.062) 9.798 6.221 ( 4.047 -3.957 0.191) 5.663 7.266 ( -1.458 -9.398 -0.506) 9.524 7.383 ( -7.015 -5.153 0.732) 8.735 8.071 ( -14.091 7.124 1.137) 15.830 8.280 ( -11.926 6.317 -0.795) 13.519 10.256 ( 1.900 19.514 0.195) 19.607 10.734 ( 5.783 1.836 0.560) 6.093 12.265 ( -5.693 -1.794 -0.044) 5.969 12.862 ( 7.586 -10.600 -0.630) 13.050 14.431 ( 0.875 -12.471 -0.133) 12.503 14.725 ( -1.317 9.601 -0.124) 9.692 14.882 ( 1.174 -20.846 0.004) 20.879 15.101 ( 4.591 2.112 -0.063) 5.054 15.610 ( 5.521 -7.018 0.534) 8.946 15.991 ( 7.536 10.055 -0.179) 12.567 16.859 ( -1.600 14.435 0.050) 14.523 17.002 ( -1.907 5.791 0.157) 6.099 ======================= Grid point 57 (55/215) ======================= q-point: ( 0.17 -0.17 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -24.051 16.010 0.000) 28.892 1.912 ( -22.845 24.933 0.000) 33.817 3.281 ( -34.213 32.927 0.000) 47.484 3.363 ( -20.936 12.863 0.000) 24.572 3.688 ( -27.917 12.393 0.000) 30.544 4.706 ( -2.883 -23.407 -0.000) 23.584 4.742 ( -4.081 -7.426 -0.000) 8.474 4.865 ( -4.360 -13.257 -0.000) 13.956 5.407 ( -1.908 0.203 0.000) 1.919 5.648 ( -8.542 1.943 0.000) 8.760 5.690 ( -11.273 -7.714 -0.000) 13.660 6.242 ( -9.218 3.806 0.000) 9.973 6.510 ( -1.850 3.397 0.000) 3.868 7.044 ( 3.882 -4.568 -0.000) 5.994 7.152 ( 4.223 -3.613 -0.000) 5.557 10.241 ( -6.926 30.740 0.000) 31.510 10.502 ( -15.495 3.278 0.000) 15.838 12.602 ( 14.488 0.547 -0.000) 14.499 13.690 ( 7.254 -19.974 -0.000) 21.251 14.001 ( -7.609 14.107 0.000) 16.028 14.107 ( -8.559 -8.435 -0.000) 12.017 15.907 ( 4.412 1.744 -0.000) 4.744 16.077 ( 1.207 4.298 0.000) 4.465 16.261 ( 0.873 -12.921 -0.000) 12.950 16.860 ( 0.678 -1.595 -0.000) 1.733 16.947 ( 6.692 -0.892 -0.000) 6.752 17.225 ( 10.816 -12.115 -0.000) 16.241 ======================= Grid point 58 (56/215) ======================= q-point: ( 0.17 0.08 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 19.880 14.250 17.221) 29.914 1.950 ( 22.110 24.881 3.914) 33.514 3.217 ( 27.902 25.510 -6.082) 38.292 3.309 ( 25.348 17.283 -5.652) 31.196 3.730 ( 29.322 15.338 3.928) 33.324 4.578 ( 3.761 -20.922 -7.987) 22.709 4.817 ( 3.804 -11.653 1.273) 12.324 4.882 ( 4.754 -9.816 3.193) 11.364 5.412 ( 2.617 0.756 0.116) 2.726 5.674 ( 9.248 0.694 2.675) 9.652 5.704 ( 10.985 -7.905 1.207) 13.588 6.169 ( 9.655 2.955 -5.692) 11.591 6.593 ( -0.595 1.291 6.565) 6.717 6.942 ( -4.235 -0.739 -6.971) 8.190 7.232 ( -3.685 -6.955 5.018) 9.335 10.219 ( 7.252 30.083 -2.003) 31.010 10.530 ( 14.954 3.717 2.561) 15.621 12.598 ( -14.783 0.494 -0.380) 14.796 13.707 ( -7.158 -19.921 1.692) 21.235 14.001 ( 7.638 14.081 0.025) 16.019 14.109 ( 8.648 -8.552 0.261) 12.165 15.902 ( -4.264 2.005 -0.564) 4.745 16.091 ( -1.340 3.603 1.467) 4.114 16.260 ( -0.767 -12.901 -0.018) 12.924 16.865 ( -0.691 -1.756 0.524) 1.958 16.948 ( -6.692 -0.775 0.045) 6.737 17.173 ( -10.481 -9.867 -5.205) 15.306 ======================= Grid point 59 (57/215) ======================= q-point: ( 0.17 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 16.459 20.371 1.229) 26.218 3.894 ( 7.698 -3.376 -2.292) 8.713 4.586 ( 9.863 1.200 -1.008) 9.987 4.767 ( 13.818 6.696 -1.970) 15.481 5.219 ( 13.838 1.849 -2.324) 14.153 5.463 ( 6.429 -2.398 3.065) 7.515 5.512 ( 4.468 -0.836 4.130) 6.142 5.648 ( 6.790 -1.366 2.285) 7.293 5.891 ( -1.055 -8.701 -1.741) 8.936 5.982 ( -4.753 1.812 0.320) 5.096 6.295 ( -1.841 -4.596 0.764) 5.010 7.156 ( 11.922 4.545 -1.039) 12.801 7.245 ( 4.706 9.250 0.048) 10.379 7.712 ( 23.564 -0.815 -2.781) 23.742 7.895 ( 22.400 -5.517 1.227) 23.102 10.329 ( -4.369 -14.558 -0.412) 15.205 10.962 ( -14.489 -2.218 -1.501) 14.734 12.079 ( 12.303 1.887 0.232) 12.449 13.028 ( -9.984 7.649 1.785) 12.703 14.435 ( 0.411 13.203 0.262) 13.212 14.678 ( 2.820 -9.782 0.261) 10.184 14.938 ( -4.858 17.642 0.071) 18.299 15.248 ( -10.047 -0.345 0.138) 10.054 15.782 ( -8.780 7.993 -1.239) 11.937 16.191 ( -11.845 -12.558 0.126) 17.263 16.820 ( 2.191 -13.857 -0.129) 14.030 16.958 ( 2.784 -5.944 -0.325) 6.572 ======================= Grid point 60 (58/215) ======================= q-point: ( 0.17 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( -19.090 19.801 -0.862) 27.518 3.932 ( -9.001 -4.185 1.491) 10.037 4.626 ( -5.217 1.757 3.070) 6.303 4.778 ( -11.909 7.650 -1.037) 14.193 5.249 ( -9.427 -1.191 0.776) 9.534 5.431 ( -12.758 -1.041 -0.639) 12.817 5.454 ( -3.933 0.791 -1.012) 4.138 5.590 ( -7.488 1.127 -3.665) 8.412 5.924 ( 1.116 -6.926 1.547) 7.184 5.969 ( 3.098 -1.642 -0.871) 3.612 6.282 ( 0.516 -4.907 -0.504) 4.960 7.174 ( -7.758 5.985 0.803) 9.831 7.244 ( -7.970 7.989 -0.074) 11.285 7.765 ( -23.548 -1.217 2.635) 23.726 7.868 ( -21.333 -6.049 -1.607) 22.232 10.336 ( 4.571 -14.404 0.296) 15.115 10.988 ( 14.905 -2.689 1.066) 15.183 12.075 ( -12.489 1.942 -0.143) 12.640 12.997 ( 9.274 7.963 -1.302) 12.293 14.431 ( -0.431 13.055 -0.180) 13.063 14.673 ( -2.872 -9.748 -0.168) 10.164 14.937 ( 4.731 17.563 -0.049) 18.189 15.245 ( 10.064 -0.268 -0.109) 10.068 15.803 ( 8.943 8.030 0.879) 12.051 16.189 ( 12.286 -12.395 -0.105) 17.453 16.822 ( -2.157 -13.845 0.091) 14.012 16.963 ( -2.780 -6.166 0.237) 6.768 ======================= Grid point 61 (59/215) ======================= q-point: (-0.39 -0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -10.027 -13.534 -23.406) 28.837 2.126 ( -18.806 -20.075 -7.578) 28.533 3.036 ( -14.934 -13.117 7.754) 21.336 3.345 ( -6.656 -27.909 6.785) 29.483 3.580 ( -10.942 5.934 9.625) 15.735 4.076 ( -2.393 -1.213 -6.122) 6.684 4.485 ( -0.496 11.639 2.256) 11.866 4.718 ( -4.121 8.182 -4.116) 10.043 5.350 ( -4.498 2.989 -0.162) 5.402 5.444 ( -5.493 -1.532 -0.830) 5.763 5.523 ( -8.526 -1.812 -0.920) 8.765 6.011 ( -3.394 -8.603 7.994) 12.224 6.742 ( 1.754 8.305 -6.673) 10.798 6.883 ( 1.339 3.449 1.747) 4.091 7.096 ( 1.701 10.191 0.975) 10.378 10.373 ( -7.847 -1.669 -2.592) 8.431 10.864 ( -0.620 -39.322 2.362) 39.398 12.856 ( 8.485 -0.986 -0.022) 8.542 13.313 ( 1.996 29.665 -1.771) 29.785 13.811 ( -5.705 5.897 0.005) 8.205 14.212 ( -4.575 -18.466 0.068) 19.024 15.805 ( -4.132 19.440 0.011) 19.874 15.911 ( 2.181 8.985 -0.610) 9.266 16.151 ( -3.913 -6.891 -0.280) 7.930 16.838 ( 0.437 1.014 0.004) 1.105 17.162 ( 7.447 -3.367 -0.784) 8.210 17.293 ( 9.777 -1.185 3.211) 10.359 ======================= Grid point 62 (60/215) ======================= q-point: (-0.39 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 23.039 -21.523 -9.686) 32.982 2.911 ( 21.436 -24.256 -2.627) 32.477 3.941 ( 17.910 -9.251 8.556) 21.899 4.181 ( 14.909 4.545 9.104) 18.050 4.369 ( 17.774 -1.921 2.023) 17.992 4.583 ( 29.219 -3.410 -2.925) 29.563 4.614 ( 10.218 20.395 1.221) 22.844 4.810 ( 6.188 7.674 -7.887) 12.625 5.509 ( 5.552 -1.762 -1.099) 5.928 5.681 ( 3.286 7.459 -1.983) 8.388 6.015 ( 10.004 -10.981 -2.658) 15.090 6.498 ( 15.106 -3.053 2.870) 15.676 6.685 ( 7.388 -1.097 0.178) 7.472 6.868 ( -0.481 1.056 4.842) 4.979 7.052 ( 1.337 7.111 -3.370) 7.982 10.813 ( -3.838 -20.598 2.184) 21.066 10.963 ( 17.675 -4.203 -1.958) 18.273 12.238 ( -20.670 0.084 0.846) 20.688 13.190 ( -0.537 18.594 -2.014) 18.711 14.147 ( 8.846 5.284 -0.083) 10.305 14.493 ( 7.492 -17.949 -0.100) 19.450 15.752 ( -6.228 -1.612 -0.182) 6.436 15.962 ( -0.313 14.805 -0.201) 14.810 16.272 ( 0.604 -7.277 0.181) 7.304 16.655 ( -19.037 6.860 1.879) 20.322 16.707 ( -10.524 5.193 -0.037) 11.735 16.813 ( -2.196 3.286 -0.267) 3.962 ======================= Grid point 63 (61/215) ======================= q-point: (-0.39 0.39 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.917 ( 0.157 5.078 0.000) 5.081 3.923 ( 13.021 -20.418 -0.000) 24.216 4.600 ( -1.025 0.140 0.000) 1.034 5.260 ( 14.327 -1.742 -0.000) 14.432 5.334 ( 5.430 0.017 -0.000) 5.430 5.501 ( 1.426 -0.057 -0.000) 1.427 5.580 ( 3.670 -0.506 -0.000) 3.704 5.702 ( -3.900 0.698 0.000) 3.962 5.833 ( -5.747 2.374 0.000) 6.218 5.886 ( 11.521 4.012 -0.000) 12.200 6.320 ( 2.779 -4.221 -0.000) 5.054 7.439 ( 3.562 -9.063 -0.000) 9.738 7.535 ( 4.705 -6.088 -0.000) 7.694 7.918 ( 7.629 11.159 0.000) 13.517 8.118 ( 11.488 5.963 -0.000) 12.943 9.869 ( -5.378 17.868 0.000) 18.660 10.730 ( -6.538 1.157 0.000) 6.640 12.294 ( 5.871 -1.169 -0.000) 5.987 13.089 ( -3.222 -13.090 -0.000) 13.480 14.542 ( 1.589 6.889 0.000) 7.069 14.712 ( -1.635 -15.483 -0.000) 15.569 15.058 ( -6.005 1.646 0.000) 6.227 15.311 ( 0.562 -20.434 -0.000) 20.441 15.742 ( -4.792 13.314 0.000) 14.150 15.754 ( -7.721 -4.018 0.000) 8.704 16.523 ( 1.073 18.302 0.000) 18.333 16.892 ( 1.683 5.231 0.000) 5.495 ======================= Grid point 64 (62/215) ======================= q-point: (-0.39 -0.36 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( -15.277 -21.880 -4.817) 27.117 3.708 ( -8.765 -5.869 0.919) 10.589 4.250 ( -14.623 8.041 2.771) 16.916 4.533 ( -16.524 -10.592 3.347) 19.911 4.888 ( -19.361 -3.800 1.649) 19.799 5.292 ( -8.202 4.022 -2.268) 9.412 5.327 ( -15.897 12.121 2.191) 20.111 5.381 ( -8.842 4.871 -0.077) 10.096 5.754 ( 0.797 4.720 -3.997) 6.236 6.137 ( 3.271 2.686 1.762) 4.585 6.295 ( 1.196 -0.656 -7.269) 7.396 6.801 ( -19.965 -5.193 4.855) 21.193 7.234 ( -20.212 -2.888 0.385) 20.421 7.277 ( -20.022 -1.781 1.824) 20.184 7.403 ( -10.811 -0.549 -1.671) 10.953 10.312 ( 14.441 3.233 0.578) 14.810 11.278 ( 21.011 0.513 0.848) 21.034 11.808 ( -17.488 -1.128 -0.370) 17.528 13.287 ( 1.524 0.281 -1.385) 2.078 14.429 ( -4.420 6.330 -0.098) 7.721 14.731 ( -2.849 -17.710 -0.251) 17.939 15.422 ( 7.175 -16.216 -0.209) 17.734 15.551 ( 16.823 -2.220 -0.018) 16.968 16.045 ( 7.788 19.746 0.405) 21.230 16.093 ( 7.997 -5.943 0.878) 10.002 16.480 ( 0.777 16.128 0.099) 16.147 16.800 ( -1.179 4.372 -0.038) 4.528 ======================= Grid point 65 (63/215) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.182 ( 0.000 11.529 0.000) 11.529 0.620 ( 0.000 29.885 0.000) 29.885 1.281 ( 0.000 61.538 0.000) 61.538 2.404 ( 0.000 11.155 0.000) 11.155 2.905 ( 0.000 12.869 0.000) 12.869 4.878 ( -0.000 -9.079 -0.000) 9.079 4.915 ( -0.000 -3.926 -0.000) 3.926 5.158 ( -0.000 -19.942 -0.000) 19.942 5.371 ( 0.000 4.597 0.000) 4.597 5.420 ( -0.000 -2.493 -0.000) 2.493 5.482 ( -0.000 -2.982 -0.000) 2.982 5.980 ( 0.000 0.584 0.000) 0.584 6.451 ( 0.000 1.499 0.000) 1.499 7.279 ( -0.000 -4.488 -0.000) 4.488 7.327 ( -0.000 -0.589 -0.000) 0.589 9.400 ( 0.000 25.456 0.000) 25.456 10.140 ( 0.000 1.336 0.000) 1.336 12.895 ( 0.000 0.404 0.000) 0.404 13.581 ( 0.000 8.029 0.000) 8.029 14.071 ( -0.000 -7.264 -0.000) 7.264 14.219 ( -0.000 -12.481 -0.000) 12.481 15.656 ( 0.000 9.484 0.000) 9.484 16.351 ( -0.000 -8.241 -0.000) 8.241 16.373 ( -0.000 -7.512 -0.000) 7.512 16.862 ( -0.000 -0.574 -0.000) 0.574 17.048 ( 0.000 3.394 0.000) 3.394 17.515 ( -0.000 -0.362 -0.000) 0.362 ======================= Grid point 66 (64/215) ======================= q-point: ( 0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 20.955 10.065 7.245) 24.349 2.788 ( 36.088 8.665 1.491) 37.143 3.996 ( 15.087 8.866 -6.345) 18.614 4.152 ( 29.992 3.247 -6.787) 30.921 4.804 ( 12.388 1.782 2.437) 12.750 5.041 ( 11.772 -2.700 -3.983) 12.718 5.151 ( 5.514 -3.394 5.804) 8.696 5.368 ( 6.661 -1.030 4.418) 8.059 5.853 ( 3.939 1.456 3.567) 5.510 5.982 ( 25.337 -7.628 0.924) 26.477 6.257 ( 4.341 -13.497 -0.767) 14.199 6.703 ( 2.337 5.366 -6.935) 9.074 6.746 ( 13.694 2.931 -3.446) 14.422 6.925 ( 20.243 0.325 0.096) 20.246 7.064 ( -5.453 3.837 5.700) 8.772 10.310 ( 12.890 4.790 -0.812) 13.776 11.275 ( 21.821 2.022 1.107) 21.942 11.832 ( -20.903 -0.804 -1.656) 20.984 13.461 ( -15.327 -2.915 1.878) 15.714 14.092 ( 5.860 7.207 0.079) 9.289 14.675 ( 8.394 -9.111 0.243) 12.391 15.236 ( -20.600 5.262 0.147) 21.262 15.794 ( -16.221 1.679 -0.145) 16.309 15.889 ( -3.100 8.001 0.816) 8.619 16.910 ( -1.752 -2.222 0.113) 2.832 16.952 ( 1.024 -5.894 -0.115) 5.983 17.093 ( -10.956 -13.405 -3.274) 17.619 ======================= Grid point 67 (65/215) ======================= q-point: ( 0.06 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( -0.000 14.264 0.000) 14.264 4.139 ( 0.000 -4.604 0.000) 4.604 4.554 ( 0.000 0.811 0.000) 0.811 5.455 ( 0.000 -0.180 -0.000) 0.180 5.551 ( -0.000 -2.924 0.000) 2.924 5.560 ( 0.001 0.704 0.000) 0.704 5.643 ( -0.000 -1.380 0.000) 1.380 5.646 ( 0.001 1.113 -0.000) 1.113 5.725 ( -0.000 -0.945 0.000) 0.945 6.021 ( -0.000 6.551 0.000) 6.551 6.165 ( 0.000 -2.581 0.000) 2.581 7.138 ( 0.000 4.931 0.000) 4.931 7.366 ( 0.000 3.414 0.000) 3.414 8.418 ( 0.000 -6.837 -0.000) 6.837 8.480 ( 0.000 -2.985 0.000) 2.985 10.580 ( 0.000 -11.246 0.000) 11.246 10.730 ( 0.000 -2.070 0.000) 2.070 12.286 ( 0.000 1.486 0.000) 1.486 12.629 ( 0.000 2.057 0.000) 2.057 14.227 ( 0.000 6.544 0.000) 6.544 14.441 ( 0.000 17.918 0.000) 17.918 14.957 ( 0.000 -11.166 0.000) 11.166 15.101 ( 0.000 -1.661 0.000) 1.661 15.401 ( 0.000 8.736 0.000) 8.736 16.046 ( 0.000 -4.635 0.000) 4.635 17.112 ( 0.000 -7.987 0.000) 7.987 17.127 ( 0.000 -3.775 0.000) 3.775 ======================= Grid point 71 (66/215) ======================= q-point: (-0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.584 ( 19.835 -20.142 -3.065) 28.435 3.803 ( 3.687 -3.093 -0.720) 4.866 4.212 ( 11.584 15.652 5.454) 20.222 4.765 ( 11.808 -1.040 0.986) 11.894 4.966 ( 18.378 -0.004 -1.246) 18.420 5.071 ( 18.347 -0.096 -4.562) 18.907 5.269 ( 14.342 3.248 1.080) 14.745 5.415 ( 6.273 9.483 0.735) 11.394 5.567 ( 2.948 -4.341 7.905) 9.488 5.973 ( 4.371 -3.757 -10.627) 12.090 6.263 ( -2.217 -3.609 2.233) 4.788 7.009 ( 16.505 3.057 3.650) 17.178 7.234 ( 14.864 0.600 -3.147) 15.206 7.333 ( 14.364 -1.026 1.153) 14.446 7.385 ( 16.884 -1.673 -0.014) 16.967 10.287 ( -23.182 1.711 0.278) 23.246 11.288 ( -21.104 0.904 0.108) 21.124 11.815 ( 17.452 -0.554 0.055) 17.461 13.236 ( 6.076 -0.954 -0.593) 6.179 14.352 ( 3.836 1.555 0.005) 4.139 15.095 ( 3.180 -17.602 -0.198) 17.888 15.561 ( -11.115 3.959 -0.324) 11.804 15.669 ( -14.003 13.706 0.619) 19.604 15.750 ( -2.465 -15.740 -0.182) 15.933 16.144 ( -4.951 15.801 0.090) 16.558 16.208 ( -8.110 -1.329 0.306) 8.224 16.732 ( 1.063 1.810 -0.013) 2.099 ======================= Grid point 72 (67/215) ======================= q-point: ( 0.50 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.821 ( -0.455 0.683 0.000) 0.821 4.276 ( -7.305 -11.796 -0.000) 13.874 4.540 ( -8.035 3.014 0.000) 8.581 5.235 ( -10.415 0.107 0.000) 10.415 5.465 ( -3.225 3.667 0.000) 4.883 5.473 ( -5.179 -1.391 0.000) 5.363 5.601 ( -3.496 0.717 0.000) 3.569 5.684 ( 3.496 -0.130 -0.000) 3.498 5.756 ( 4.259 -0.885 -0.000) 4.350 5.853 ( -8.000 1.972 0.000) 8.240 6.378 ( -5.013 -2.038 0.000) 5.411 7.588 ( -8.265 -5.029 -0.000) 9.674 7.652 ( -2.656 -5.267 -0.000) 5.899 7.756 ( -4.461 5.847 0.000) 7.354 7.978 ( -9.133 5.575 0.000) 10.700 9.591 ( 7.426 6.922 0.000) 10.152 10.709 ( 5.282 -0.342 -0.000) 5.293 12.310 ( -5.798 -0.305 0.000) 5.806 13.308 ( 1.585 -5.112 -0.000) 5.353 14.449 ( -1.306 2.442 0.000) 2.769 15.016 ( 5.588 -4.379 -0.000) 7.099 15.061 ( 6.302 -9.009 -0.000) 10.994 15.452 ( 0.980 13.623 0.000) 13.659 15.712 ( -0.236 -16.939 -0.000) 16.941 15.798 ( 6.896 -3.563 -0.000) 7.762 16.132 ( -0.967 18.577 0.000) 18.602 16.812 ( -1.785 1.932 0.000) 2.631 ======================= Grid point 73 (68/215) ======================= q-point: (-0.50 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( -21.775 -1.302 -3.263) 22.056 3.397 ( -13.128 -2.842 -1.395) 13.504 3.593 ( -13.062 -21.928 -1.452) 25.565 3.958 ( -24.040 19.464 3.182) 31.095 4.215 ( -13.137 -4.713 -0.252) 13.959 4.359 ( -8.988 -9.915 6.887) 15.051 4.615 ( -24.318 5.669 -0.135) 24.970 4.842 ( -7.125 8.000 -2.759) 11.063 5.542 ( -5.772 3.242 -2.628) 7.123 5.732 ( -5.353 1.877 0.633) 5.708 6.371 ( -11.094 -9.455 -2.497) 14.789 6.502 ( -15.772 -4.204 -0.333) 16.326 6.590 ( -6.656 3.532 2.448) 7.923 6.789 ( 2.589 -2.888 0.377) 3.897 6.912 ( -7.448 7.388 0.552) 10.506 10.994 ( -16.815 -0.410 -1.082) 16.855 11.169 ( 14.961 -12.794 1.761) 19.764 12.224 ( 21.604 -0.630 -0.233) 21.615 12.920 ( -8.562 12.942 -0.790) 15.538 14.077 ( -9.109 1.675 -0.000) 9.262 14.853 ( -7.825 -14.046 -0.052) 16.079 15.618 ( -3.628 14.463 0.013) 14.911 15.777 ( -0.641 0.055 -0.112) 0.653 16.370 ( -0.063 -2.855 0.011) 2.856 16.546 ( 21.420 -1.689 1.196) 21.520 16.640 ( 16.675 2.084 -0.259) 16.806 16.780 ( 3.481 1.891 -0.432) 3.985 ======================= Grid point 74 (69/215) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 22.259 0.000 -0.000) 22.259 1.190 ( 32.586 0.000 -0.000) 32.586 2.436 ( 53.448 0.000 -0.000) 53.448 3.134 ( 18.128 0.000 -0.000) 18.128 3.288 ( 39.620 0.000 -0.000) 39.620 4.894 ( 5.367 0.000 -0.000) 5.367 5.176 ( 2.044 0.000 -0.000) 2.044 5.253 ( -3.075 -0.000 0.000) 3.075 5.370 ( 6.644 0.000 -0.000) 6.644 5.674 ( 2.365 0.000 -0.000) 2.365 5.891 ( 14.000 0.000 -0.000) 14.000 6.191 ( 10.214 0.000 -0.000) 10.214 6.441 ( 1.776 0.000 -0.000) 1.776 7.133 ( -8.646 -0.000 0.000) 8.646 7.175 ( -3.599 -0.000 0.000) 3.599 9.504 ( 16.853 0.000 -0.000) 16.853 10.409 ( 15.499 0.000 -0.000) 15.499 12.595 ( -13.811 -0.000 0.000) 13.811 13.699 ( 8.263 0.000 -0.000) 8.263 14.103 ( -11.590 -0.000 0.000) 11.590 14.371 ( 9.322 0.000 -0.000) 9.322 15.695 ( 5.043 0.000 -0.000) 5.043 16.064 ( -17.702 -0.000 0.000) 17.702 16.435 ( -13.414 -0.000 0.000) 13.414 16.888 ( 1.032 0.000 -0.000) 1.032 16.996 ( -0.350 -0.000 0.000) 0.350 17.875 ( -11.389 -0.000 0.000) 11.389 ======================= Grid point 75 (70/215) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 16.946 -0.000 0.305) 16.949 4.182 ( 1.921 0.000 -4.779) 5.151 4.277 ( 36.496 -0.000 0.376) 36.498 4.714 ( -7.063 0.000 2.115) 7.373 5.260 ( 14.861 -0.000 -5.275) 15.770 5.434 ( 4.644 -0.000 0.912) 4.732 5.514 ( 15.975 -0.000 6.092) 17.097 5.534 ( 1.337 -0.000 4.183) 4.392 5.898 ( 2.051 -0.000 0.675) 2.159 6.182 ( -8.801 0.000 -3.127) 9.340 6.494 ( -16.058 0.000 1.369) 16.116 6.972 ( 8.840 -0.000 -2.143) 9.096 7.050 ( 12.828 -0.000 0.945) 12.863 7.762 ( 30.094 -0.000 -2.344) 30.185 8.018 ( 24.797 -0.000 0.433) 24.800 10.691 ( 3.087 -0.000 -0.030) 3.087 11.067 ( -14.616 0.000 -1.581) 14.701 12.017 ( 12.885 -0.000 0.244) 12.888 12.845 ( -11.652 0.000 1.532) 11.753 14.146 ( 1.032 -0.000 -0.005) 1.032 14.447 ( -11.347 0.000 -0.034) 11.347 15.062 ( 4.262 -0.000 -0.014) 4.262 15.260 ( -7.903 0.000 0.163) 7.904 15.502 ( -9.569 0.000 -0.556) 9.585 16.441 ( -15.122 0.000 0.356) 15.126 17.121 ( 2.703 -0.000 -0.343) 2.725 17.129 ( 2.131 -0.000 -0.303) 2.153 ======================= Grid point 76 (71/215) ======================= q-point: (-0.06 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -14.356 0.000 -0.289) 14.359 4.085 ( -4.123 0.000 4.801) 6.328 4.286 ( -36.259 0.000 -0.575) 36.263 4.738 ( 5.407 -0.000 -0.197) 5.411 5.167 ( -19.069 0.000 4.366) 19.563 5.494 ( -5.105 0.000 -5.247) 7.321 5.613 ( 0.432 0.000 -3.875) 3.899 5.633 ( -11.418 0.000 -6.313) 13.047 5.908 ( 0.495 -0.000 -0.177) 0.526 6.106 ( 6.893 -0.000 4.729) 8.360 6.522 ( 17.070 -0.000 -1.408) 17.128 6.928 ( -8.426 0.000 2.305) 8.736 7.063 ( -13.366 0.000 -0.493) 13.375 7.708 ( -31.574 0.000 3.091) 31.725 8.026 ( -24.784 0.000 -0.315) 24.786 10.691 ( -3.319 0.000 0.042) 3.319 11.030 ( 13.996 -0.000 2.182) 14.165 12.023 ( -12.598 0.000 -0.345) 12.603 12.882 ( 12.256 -0.000 -2.096) 12.434 14.146 ( -1.026 0.000 0.006) 1.026 14.446 ( 11.413 -0.000 0.049) 11.413 15.062 ( -4.283 0.000 0.020) 4.283 15.264 ( 7.907 -0.000 -0.230) 7.910 15.488 ( 9.836 -0.000 0.778) 9.867 16.449 ( 14.709 -0.000 -0.470) 14.716 17.111 ( -2.408 0.000 0.633) 2.490 17.124 ( -2.849 0.000 0.251) 2.860 ======================= Grid point 77 (72/215) ======================= q-point: (-0.06 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -16.513 0.000 -20.558) 26.369 1.219 ( -31.803 0.000 -2.984) 31.943 2.478 ( -50.954 0.000 -4.191) 51.126 3.038 ( -19.059 0.000 9.508) 21.299 3.271 ( -40.605 0.000 1.831) 40.646 4.994 ( -4.681 0.000 -10.021) 11.060 5.068 ( -0.097 -0.000 12.828) 12.828 5.155 ( -2.324 0.000 2.309) 3.277 5.334 ( -6.467 0.000 6.161) 8.932 5.735 ( -6.448 0.000 -3.946) 7.559 5.919 ( -13.828 0.000 -0.312) 13.832 6.195 ( -5.578 0.000 -4.928) 7.443 6.624 ( 5.502 0.000 -14.611) 15.613 6.900 ( 5.086 -0.000 14.468) 15.336 7.357 ( 6.743 -0.000 -9.191) 11.399 9.489 ( -16.999 0.000 1.462) 17.062 10.431 ( -15.223 0.000 -2.136) 15.372 12.594 ( 14.289 -0.000 0.100) 14.289 13.699 ( -8.279 0.000 -0.050) 8.279 14.122 ( 12.069 -0.000 -1.802) 12.203 14.371 ( -9.311 0.000 0.038) 9.311 15.723 ( -5.040 0.000 -2.785) 5.759 16.065 ( 17.682 -0.000 -0.083) 17.682 16.434 ( 13.399 -0.000 0.087) 13.399 16.893 ( -0.933 0.000 -0.508) 1.062 16.994 ( 0.335 -0.000 0.222) 0.402 17.704 ( 4.224 -0.000 16.234) 16.775 ======================= Grid point 78 (73/215) ======================= q-point: ( 0.38 0.12 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 21.725 17.557 10.112) 29.706 3.424 ( 16.948 7.721 -1.926) 18.723 3.597 ( 11.236 1.741 -3.884) 12.015 4.024 ( 21.068 -20.279 -3.548) 29.457 4.221 ( 13.607 3.356 -0.589) 14.027 4.490 ( 15.960 9.013 -6.043) 19.300 4.611 ( 19.529 -2.869 0.461) 19.744 4.764 ( 7.748 -8.536 5.103) 12.607 5.502 ( 2.990 -2.486 1.170) 4.061 5.723 ( 7.027 1.641 1.860) 7.452 6.321 ( 8.251 12.177 2.430) 14.909 6.507 ( 13.986 0.542 -0.827) 14.021 6.636 ( 10.276 -3.297 -2.060) 10.987 6.801 ( 1.575 0.316 -0.935) 1.859 6.919 ( 3.773 -6.315 0.028) 7.356 10.979 ( 16.078 1.437 0.427) 16.147 11.198 ( -14.399 11.215 -1.025) 18.280 12.224 ( -21.391 0.036 -0.265) 21.392 12.899 ( 8.612 -10.990 1.357) 14.028 14.077 ( 9.120 -1.651 0.000) 9.268 14.851 ( 7.752 14.139 0.078) 16.124 15.618 ( 3.573 -14.411 -0.022) 14.847 15.774 ( 0.655 0.145 0.146) 0.686 16.371 ( 0.101 2.714 -0.154) 2.721 16.571 ( -22.526 0.153 -1.168) 22.556 16.634 ( -16.016 -2.063 0.236) 16.150 16.772 ( -2.932 -1.474 0.373) 3.302 ======================= Grid point 79 (74/215) ======================= q-point: ( 0.38 0.37 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.822 ( 0.435 -0.929 -0.189) 1.043 4.273 ( 7.626 11.750 0.264) 14.010 4.544 ( 7.592 -3.144 -0.408) 8.227 5.240 ( 10.644 -0.089 -0.453) 10.654 5.470 ( 3.188 -0.647 -0.652) 3.318 5.484 ( 4.467 -0.971 -0.899) 4.659 5.566 ( -0.342 -0.526 3.621) 3.675 5.649 ( 1.910 0.072 1.364) 2.348 5.793 ( -0.155 -0.041 -1.827) 1.834 5.864 ( 2.710 -1.321 -1.066) 3.198 6.376 ( 5.352 1.942 0.157) 5.696 7.586 ( 7.929 5.005 0.069) 9.377 7.652 ( 2.806 5.290 0.029) 5.988 7.755 ( 4.671 -5.924 0.102) 7.545 7.978 ( 9.053 -5.512 -0.084) 10.600 9.593 ( -7.457 -6.999 -0.140) 10.228 10.709 ( -5.342 0.234 -0.067) 5.348 12.310 ( 5.813 0.316 0.007) 5.822 13.307 ( -1.509 5.252 0.144) 5.467 14.449 ( 1.314 -2.416 0.013) 2.751 15.015 ( -5.506 4.629 0.045) 7.193 15.060 ( -6.323 8.825 0.121) 10.857 15.452 ( -1.006 -13.590 -0.051) 13.627 15.711 ( 0.253 16.982 0.085) 16.984 15.800 ( -6.951 3.360 -0.173) 7.722 16.133 ( 0.930 -18.581 -0.084) 18.604 16.812 ( 1.776 -1.960 -0.027) 2.645 ======================= Grid point 80 (75/215) ======================= q-point: ( 0.38 -0.38 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.554 ( -21.386 20.533 0.000) 29.647 3.795 ( -3.501 3.240 0.000) 4.770 4.272 ( -9.685 -16.788 -0.000) 19.381 4.775 ( -11.578 0.016 0.000) 11.578 4.940 ( -15.224 -0.385 0.000) 15.229 5.033 ( -22.727 0.824 0.000) 22.742 5.278 ( -13.400 -2.513 0.000) 13.633 5.415 ( -4.520 -10.458 -0.000) 11.393 5.758 ( -5.304 10.206 0.000) 11.502 5.766 ( -4.356 -0.434 0.000) 4.377 6.284 ( 1.480 4.759 0.000) 4.984 7.056 ( -15.735 -6.065 0.000) 16.864 7.192 ( -14.749 1.488 0.000) 14.824 7.345 ( -13.514 0.235 0.000) 13.516 7.386 ( -17.900 2.246 0.000) 18.041 10.289 ( 23.305 -1.966 -0.000) 23.388 11.289 ( 20.821 -1.143 -0.000) 20.852 11.816 ( -17.227 0.635 0.000) 17.238 13.230 ( -6.199 1.494 0.000) 6.376 14.352 ( -3.827 -1.554 0.000) 4.131 15.093 ( -3.143 17.679 0.000) 17.956 15.558 ( 10.963 -4.004 -0.000) 11.671 15.675 ( 14.357 -13.971 -0.000) 20.033 15.748 ( 2.328 15.950 0.000) 16.119 16.145 ( 4.952 -15.778 -0.000) 16.537 16.211 ( 8.071 1.026 -0.000) 8.136 16.731 ( -1.090 -1.791 -0.000) 2.097 ======================= Grid point 81 (76/215) ======================= q-point: ( 0.38 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -14.648 23.464 11.736) 30.048 2.392 ( -21.757 13.454 2.371) 25.691 3.278 ( -12.892 -4.497 -6.329) 15.049 3.452 ( -11.286 -14.274 -7.246) 19.586 3.936 ( 2.291 14.026 -4.357) 14.865 3.999 ( 3.100 -3.608 4.156) 6.317 4.402 ( -3.091 -8.784 6.960) 11.626 4.436 ( -6.317 4.735 -1.738) 8.084 5.284 ( -6.512 -1.861 -0.111) 6.774 5.461 ( -3.991 2.014 0.889) 4.558 5.766 ( -7.858 21.126 0.030) 22.540 6.230 ( -3.242 -10.120 -3.174) 11.090 6.365 ( -1.950 -9.502 1.845) 9.874 6.856 ( 0.819 -5.732 -0.788) 5.843 6.982 ( 2.175 1.314 0.497) 2.589 10.374 ( -8.351 1.791 0.687) 8.568 11.667 ( 4.666 30.721 -1.229) 31.097 12.646 ( -1.140 -26.961 0.551) 26.990 12.887 ( 8.187 0.160 0.467) 8.202 13.728 ( -5.803 -2.072 -0.006) 6.162 14.570 ( -4.498 13.421 -0.043) 14.155 15.432 ( -3.675 -13.849 0.037) 14.329 15.757 ( 0.038 -3.736 0.183) 3.741 16.265 ( -2.913 3.077 -0.023) 4.238 16.821 ( 1.034 -0.326 0.226) 1.108 17.201 ( 8.214 1.748 0.469) 8.411 17.327 ( 10.268 -1.419 -1.078) 10.421 ======================= Grid point 82 (77/215) ======================= q-point: (-0.18 0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 23.162 -10.218 -0.000) 25.316 2.773 ( 36.390 -8.332 -0.000) 37.332 4.062 ( 15.578 -9.887 -0.000) 18.450 4.221 ( 30.273 -3.407 -0.000) 30.464 4.775 ( 14.942 -2.540 -0.000) 15.157 5.076 ( 5.746 3.519 0.000) 6.738 5.113 ( 7.816 4.474 -0.000) 9.006 5.314 ( 4.513 0.624 -0.000) 4.556 5.803 ( 3.222 -3.320 -0.000) 4.627 5.983 ( 26.712 10.496 -0.000) 28.700 6.262 ( 5.538 12.908 0.000) 14.046 6.772 ( 17.300 -1.383 -0.000) 17.355 6.805 ( -3.414 -7.170 -0.000) 7.941 6.921 ( 21.644 -1.415 -0.000) 21.690 6.987 ( -4.686 -3.055 -0.000) 5.594 10.318 ( 12.674 -4.888 -0.000) 13.584 11.264 ( 22.037 -1.938 -0.000) 22.122 11.849 ( -20.658 0.817 0.000) 20.674 13.442 ( -15.402 2.998 0.000) 15.691 14.091 ( 5.864 -7.177 -0.000) 9.268 14.673 ( 8.433 9.264 0.000) 12.528 15.234 ( -20.611 -5.212 0.000) 21.260 15.796 ( -16.685 -1.626 0.000) 16.764 15.880 ( -2.140 -8.483 -0.000) 8.749 16.909 ( -1.512 2.013 0.000) 2.518 16.953 ( 1.059 6.048 0.000) 6.140 17.126 ( -12.411 13.929 0.000) 18.656 ======================= Grid point 83 (78/215) ======================= q-point: (-0.18 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( -1.627 -14.292 -0.076) 14.384 4.137 ( -1.976 4.603 0.154) 5.012 4.554 ( 1.862 -0.795 -0.034) 2.025 5.453 ( 1.535 0.356 0.131) 1.581 5.557 ( 2.329 1.507 -0.473) 2.814 5.565 ( 3.538 0.445 -0.461) 3.595 5.630 ( -6.507 0.527 0.750) 6.571 5.654 ( 4.196 -0.104 -0.363) 4.213 5.723 ( -1.413 1.051 0.167) 1.769 6.017 ( -0.593 -6.701 0.312) 6.735 6.165 ( -0.182 2.569 0.005) 2.576 7.142 ( -1.105 -4.959 -0.374) 5.094 7.363 ( 0.189 -3.389 0.250) 3.404 8.416 ( -2.843 6.840 0.147) 7.408 8.482 ( 2.121 2.986 -0.143) 3.665 10.580 ( -0.051 11.255 0.008) 11.255 10.730 ( -0.924 2.064 -0.004) 2.261 12.286 ( 0.049 -1.484 0.002) 1.485 12.629 ( 0.954 -2.058 -0.001) 2.269 14.227 ( 0.054 -6.541 -0.001) 6.541 14.441 ( -0.022 -17.920 0.001) 17.920 14.957 ( -0.034 11.163 -0.016) 11.163 15.101 ( 0.139 1.663 0.012) 1.668 15.401 ( -0.597 -8.733 0.004) 8.753 16.046 ( 0.446 4.631 0.001) 4.652 17.112 ( -0.047 7.987 -0.001) 7.987 17.127 ( -0.291 3.776 -0.002) 3.787 ======================= Grid point 84 (79/215) ======================= q-point: (-0.18 -0.32 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -15.784 -9.856 -10.483) 21.358 2.825 ( -35.179 -9.458 -2.296) 36.501 3.848 ( -14.215 -7.960 8.536) 18.393 3.998 ( -31.228 -2.109 8.497) 32.432 4.801 ( -3.818 1.981 3.515) 5.555 5.042 ( -21.458 -2.983 -5.066) 22.249 5.276 ( -6.800 5.807 -6.563) 11.092 5.459 ( -8.419 1.854 -5.001) 9.967 5.851 ( -21.475 0.561 3.301) 21.735 6.079 ( -8.004 1.235 -8.282) 11.583 6.220 ( -1.795 13.116 3.477) 13.687 6.575 ( -1.001 -4.800 5.776) 7.576 6.677 ( -17.879 -2.410 3.628) 18.402 6.915 ( -18.163 1.730 1.155) 18.282 7.163 ( 6.243 -4.104 -4.457) 8.700 10.291 ( -13.368 -4.578 1.080) 14.172 11.301 ( -21.334 -2.166 -1.468) 21.494 11.793 ( 21.477 0.718 2.225) 21.604 13.505 ( 15.155 2.743 -2.547) 15.610 14.094 ( -5.849 -7.280 -0.112) 9.339 14.681 ( -8.299 8.721 -0.352) 12.044 15.239 ( 20.550 -5.378 -0.188) 21.243 15.794 ( 15.969 -1.648 -0.092) 16.054 15.907 ( 4.717 -6.957 -0.990) 8.463 16.912 ( 3.027 3.042 -0.011) 4.291 16.949 ( -0.933 5.509 0.213) 5.592 17.015 ( 6.653 11.822 4.497) 14.291 ======================= Grid point 85 (80/215) ======================= q-point: (-0.18 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.000 -25.265 -11.813) 27.890 0.770 ( 0.000 -4.166 -35.494) 35.738 1.325 ( -0.000 -57.303 -5.623) 57.578 2.354 ( -0.000 -11.430 5.202) 12.558 2.841 ( -0.000 -15.415 7.575) 17.175 4.902 ( 0.000 6.138 -4.135) 7.401 4.911 ( 0.000 4.402 0.427) 4.423 5.003 ( -0.000 16.099 10.875) 19.427 5.324 ( -0.000 -4.264 7.140) 8.317 5.422 ( 0.000 2.408 -0.120) 2.411 5.491 ( 0.000 2.688 -0.866) 2.824 6.058 ( 0.000 6.591 -8.382) 10.663 6.849 ( 0.000 23.250 -28.132) 36.496 7.063 ( -0.000 -0.598 13.117) 13.130 7.487 ( 0.000 5.346 -7.614) 9.304 9.381 ( -0.000 -25.295 1.871) 25.364 10.170 ( 0.000 -2.111 -2.954) 3.631 12.905 ( 0.000 0.071 -1.202) 1.204 13.581 ( -0.000 -8.021 0.019) 8.021 14.071 ( 0.000 7.276 0.018) 7.276 14.274 ( 0.000 17.026 -4.428) 17.592 15.654 ( -0.000 -9.507 0.209) 9.509 16.353 ( 0.000 8.242 -0.156) 8.244 16.382 ( 0.000 7.356 -0.880) 7.408 16.866 ( 0.000 0.596 -0.318) 0.676 17.046 ( -0.000 -3.519 0.212) 3.526 17.332 ( -0.000 -13.082 14.707) 19.683 ======================= Grid point 86 (81/215) ======================= q-point: ( 0.26 0.24 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( 18.783 21.564 5.527) 29.126 3.713 ( 11.076 5.923 0.393) 12.566 4.336 ( 11.476 -7.161 -6.195) 14.878 4.611 ( 13.434 7.796 -4.417) 16.148 4.924 ( 19.786 2.795 -1.898) 20.072 5.223 ( 9.113 -3.555 5.024) 10.997 5.367 ( 10.132 -5.123 0.843) 11.385 5.393 ( 12.677 -5.388 -4.123) 14.378 5.687 ( -1.167 -9.695 2.343) 10.042 6.129 ( 4.981 0.163 9.565) 10.786 6.164 ( -1.458 2.204 -0.720) 2.739 6.906 ( 15.819 2.866 -5.993) 17.157 7.247 ( 16.633 4.440 -0.483) 17.222 7.311 ( 19.335 -1.086 -1.575) 19.430 7.362 ( 13.279 1.234 2.319) 13.536 10.326 ( -14.837 -3.375 -0.849) 15.240 11.297 ( -21.056 -1.046 -1.039) 21.107 11.800 ( 17.759 1.252 0.344) 17.806 13.253 ( -0.980 0.391 2.020) 2.279 14.427 ( 4.401 -6.124 0.116) 7.543 14.725 ( 2.786 17.689 0.355) 17.911 15.417 ( -7.052 16.214 0.262) 17.683 15.550 ( -16.592 2.193 0.105) 16.736 16.057 ( -8.850 -19.735 -0.783) 21.643 16.112 ( -7.830 5.416 -1.053) 9.578 16.482 ( -0.738 -16.135 -0.139) 16.152 16.799 ( 1.412 -4.402 0.046) 4.623 ======================= Grid point 87 (82/215) ======================= q-point: ( 0.26 -0.51 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.908 ( -1.205 -4.446 0.895) 4.693 3.921 ( -11.851 20.285 0.248) 23.495 4.602 ( 0.406 -0.516 -0.127) 0.668 5.256 ( -14.245 1.442 0.348) 14.322 5.358 ( -4.972 0.488 -2.447) 5.562 5.504 ( -1.552 -0.053 -0.300) 1.581 5.566 ( -3.112 0.015 1.219) 3.342 5.696 ( 2.170 -1.560 0.673) 2.756 5.842 ( 6.411 -1.655 -0.571) 6.646 5.889 ( -10.692 -3.633 -0.408) 11.299 6.318 ( -2.847 4.131 0.250) 5.023 7.437 ( -3.524 8.967 0.100) 9.635 7.533 ( -4.870 6.156 0.263) 7.854 7.919 ( -7.744 -10.608 -0.004) 13.134 8.118 ( -11.413 -6.326 -0.101) 13.050 9.868 ( 5.299 -17.833 0.169) 18.605 10.726 ( 6.377 -1.048 0.359) 6.473 12.294 ( -5.852 1.165 -0.033) 5.967 13.093 ( 3.447 12.966 -0.417) 13.423 14.543 ( -1.563 -6.904 -0.063) 7.079 14.714 ( 1.703 15.491 -0.190) 15.585 15.058 ( 6.010 -1.670 -0.046) 6.238 15.312 ( -0.544 20.456 -0.064) 20.464 15.739 ( 5.240 -8.873 0.306) 10.310 15.754 ( 7.105 -0.394 0.086) 7.116 16.522 ( -1.102 -18.311 0.071) 18.344 16.891 ( -1.712 -5.201 0.086) 5.476 ======================= Grid point 88 (83/215) ======================= q-point: ( 0.26 -0.26 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -24.912 22.377 0.000) 33.486 2.885 ( -21.750 24.472 0.000) 32.740 4.026 ( -18.462 11.252 0.000) 21.621 4.307 ( -9.788 -19.742 -0.000) 22.036 4.373 ( -21.809 15.374 0.000) 26.683 4.557 ( -31.919 2.709 0.000) 32.034 4.626 ( -9.242 -19.865 -0.000) 21.910 4.707 ( -5.457 -7.418 -0.000) 9.209 5.500 ( -4.503 3.237 0.000) 5.546 5.659 ( -3.139 -9.490 -0.000) 9.995 5.990 ( -9.181 11.737 0.000) 14.901 6.527 ( -13.626 2.022 0.000) 13.775 6.685 ( -10.006 1.843 0.000) 10.175 6.940 ( -0.910 -2.775 -0.000) 2.921 6.994 ( 0.433 -5.552 -0.000) 5.569 10.841 ( 6.340 22.401 0.000) 23.281 10.938 ( -20.154 2.571 0.000) 20.317 12.247 ( 20.470 -0.148 -0.000) 20.470 13.169 ( 0.567 -18.484 -0.000) 18.492 14.146 ( -8.848 -5.200 -0.000) 10.262 14.492 ( -7.447 17.958 0.000) 19.440 15.750 ( 6.283 1.666 -0.000) 6.501 15.960 ( 0.474 -14.708 -0.000) 14.716 16.274 ( -0.822 7.425 0.000) 7.471 16.673 ( 18.784 -7.557 -0.000) 20.247 16.707 ( 10.515 -5.169 -0.000) 11.717 16.810 ( 2.482 -3.475 -0.000) 4.270 ======================= Grid point 90 (84/215) ======================= q-point: (-0.30 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 20.141 -19.610 -0.000) 28.111 3.947 ( 9.911 4.565 -0.000) 10.912 4.674 ( -4.319 1.386 0.000) 4.536 4.749 ( 18.302 -11.632 -0.000) 21.685 5.256 ( 6.550 3.482 -0.000) 7.418 5.412 ( 14.200 -0.273 -0.000) 14.202 5.481 ( 4.315 -0.367 -0.000) 4.330 5.533 ( 9.688 -3.190 -0.000) 10.199 5.943 ( -0.782 -0.515 -0.000) 0.937 5.956 ( -2.950 9.759 0.000) 10.196 6.277 ( -0.052 4.928 0.000) 4.928 7.183 ( 5.546 -6.799 -0.000) 8.774 7.243 ( 9.879 -7.262 -0.000) 12.261 7.798 ( 24.857 0.121 -0.000) 24.857 7.845 ( 19.591 7.532 -0.000) 20.989 10.339 ( -4.661 14.345 0.000) 15.084 10.999 ( -15.070 2.886 0.000) 15.344 12.074 ( 12.554 -1.965 -0.000) 12.707 12.984 ( -8.968 -8.100 -0.000) 12.084 14.429 ( 0.439 -12.995 -0.000) 13.002 14.672 ( 2.891 9.734 0.000) 10.155 14.936 ( -4.678 -17.530 -0.000) 18.144 15.244 ( -10.073 0.242 0.000) 10.075 15.812 ( -8.996 -8.060 -0.000) 12.079 16.188 ( -12.477 12.334 0.000) 17.545 16.823 ( 2.144 13.840 0.000) 14.005 16.966 ( 2.773 6.261 0.000) 6.848 ======================= Grid point 91 (85/215) ======================= q-point: (-0.30 -0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( -13.661 -21.122 -0.873) 25.170 3.855 ( -7.556 2.816 1.666) 8.234 4.584 ( -8.744 1.703 -0.541) 8.925 4.721 ( -19.718 -8.747 2.422) 21.706 5.177 ( -15.830 -2.798 1.765) 16.173 5.513 ( -4.412 4.237 -1.796) 6.375 5.603 ( -4.386 1.691 -4.827) 6.737 5.676 ( -7.184 3.652 -0.695) 8.089 5.867 ( 1.938 6.800 0.582) 7.095 5.974 ( 6.968 -1.970 1.206) 7.341 6.309 ( 3.541 3.677 -0.673) 5.148 7.139 ( -15.556 -3.454 0.726) 15.952 7.246 ( -2.183 -10.191 -0.086) 10.422 7.667 ( -24.125 0.218 1.855) 24.197 7.913 ( -23.037 5.184 -0.657) 23.622 10.322 ( 4.190 14.728 0.287) 15.315 10.937 ( 14.053 1.751 1.058) 14.201 12.083 ( -12.084 -1.831 -0.182) 12.224 13.058 ( 10.658 -7.356 -1.225) 13.008 14.440 ( -0.390 -13.357 -0.190) 13.364 14.682 ( -2.762 9.820 -0.201) 10.203 14.939 ( 4.984 -17.722 -0.051) 18.410 15.250 ( 10.037 0.444 -0.086) 10.047 15.761 ( 8.570 -8.000 0.874) 11.756 16.193 ( 11.428 12.737 -0.075) 17.112 16.818 ( -2.230 13.871 0.091) 14.049 16.952 ( -2.773 5.731 0.222) 6.370 ======================= Grid point 92 (86/215) ======================= q-point: (-0.30 -0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -13.712 -12.074 -21.645) 28.325 2.055 ( -20.002 -24.590 -6.943) 32.449 3.065 ( -21.052 -18.099 9.859) 29.462 3.174 ( -28.188 -20.364 7.739) 35.625 3.816 ( -32.770 -17.971 -4.734) 37.673 4.436 ( -4.628 18.488 6.463) 20.124 4.801 ( -4.448 13.595 1.778) 14.414 4.953 ( -5.287 6.393 -2.539) 8.676 5.411 ( -3.740 -2.506 -0.374) 4.517 5.725 ( -10.914 7.186 -0.865) 13.096 5.737 ( -11.893 0.961 -3.404) 12.407 6.067 ( -8.568 1.744 4.972) 10.058 6.704 ( 4.589 0.003 -4.219) 6.233 6.834 ( 4.924 -1.661 3.531) 6.283 7.309 ( 2.901 9.991 -2.950) 10.814 10.178 ( -7.496 -29.783 2.075) 30.782 10.584 ( -14.179 -3.468 -2.854) 14.873 12.590 ( 15.489 -0.376 0.414) 15.499 13.746 ( 6.870 19.712 -2.191) 20.989 14.002 ( -7.713 -14.040 -0.036) 16.020 14.116 ( -8.836 8.915 -0.449) 12.560 15.888 ( 4.028 -2.504 0.804) 4.811 16.131 ( 1.481 -1.863 -2.623) 3.542 16.260 ( 0.478 12.835 0.093) 12.844 16.875 ( 0.462 2.766 -0.177) 2.810 16.947 ( 6.832 0.336 0.165) 6.843 17.051 ( 10.127 4.221 6.720) 12.866 ======================= Grid point 94 (87/215) ======================= q-point: ( 0.14 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( 10.996 21.690 -0.831) 24.333 3.991 ( 2.871 -5.631 -1.703) 6.546 4.614 ( -2.403 -0.113 0.717) 2.511 5.179 ( 20.776 5.489 0.160) 21.489 5.417 ( 6.522 -1.060 1.200) 6.716 5.532 ( 0.948 -0.710 2.523) 2.787 5.559 ( 1.898 -0.968 -0.072) 2.132 5.732 ( -2.219 -2.038 0.408) 3.041 5.863 ( -7.006 -1.392 -1.501) 7.299 5.982 ( 9.026 -4.445 -0.011) 10.062 6.225 ( -3.695 4.106 -0.162) 5.526 7.259 ( 1.839 8.446 0.052) 8.645 7.396 ( 6.333 5.791 -0.544) 8.598 8.099 ( 13.000 -7.787 -1.758) 15.255 8.260 ( 12.382 -6.109 1.313) 13.869 10.260 ( -2.027 -19.389 -0.253) 19.497 10.748 ( -6.453 -2.121 -0.811) 6.841 12.263 ( 5.785 1.815 0.060) 6.064 12.847 ( -6.848 10.829 0.905) 12.844 14.428 ( -0.759 12.363 0.185) 12.387 14.722 ( 1.442 -9.466 0.159) 9.576 14.882 ( -1.168 20.629 -0.013) 20.662 15.099 ( -4.527 -2.062 0.111) 4.976 15.623 ( -6.069 6.996 -0.765) 9.293 15.987 ( -7.430 -9.887 0.266) 12.371 16.861 ( 1.545 -14.415 -0.073) 14.498 17.006 ( 1.756 -5.888 -0.224) 6.148 ======================= Grid point 95 (88/215) ======================= q-point: ( 0.14 -0.39 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -21.655 18.623 -3.490) 28.774 3.589 ( -24.142 4.486 -0.825) 24.569 4.410 ( -8.801 10.515 6.475) 15.164 4.680 ( -8.823 -3.538 5.369) 10.917 4.912 ( -18.305 1.804 0.886) 18.415 5.195 ( -7.691 -4.217 -6.164) 10.721 5.347 ( -7.332 2.232 0.390) 7.674 5.476 ( -7.060 -0.552 -3.718) 7.998 5.942 ( 0.352 -5.346 -0.478) 5.378 5.997 ( -1.081 -6.431 -1.216) 6.633 6.184 ( -11.384 -9.097 -2.184) 14.735 6.948 ( -10.977 5.300 5.782) 13.491 7.123 ( -6.233 6.131 -2.470) 9.086 7.263 ( -21.604 4.283 0.891) 22.042 7.394 ( -23.717 -2.916 0.070) 23.896 10.426 ( 3.423 -4.611 0.590) 5.773 11.353 ( 19.722 -2.228 1.067) 19.876 11.758 ( -17.750 2.266 -0.184) 17.895 13.186 ( 8.949 1.893 -1.833) 9.329 14.397 ( -3.008 13.418 -0.176) 13.752 14.596 ( -4.908 -10.346 -0.217) 11.453 15.098 ( 11.275 14.104 -0.174) 18.058 15.506 ( 15.082 1.712 -0.079) 15.179 15.973 ( 7.022 8.872 0.732) 11.338 16.459 ( 13.514 -16.103 0.691) 21.034 16.784 ( -1.301 -12.730 0.104) 12.797 16.904 ( -2.771 -5.837 0.145) 6.463 ======================= Grid point 96 (89/215) ======================= q-point: ( 0.14 -0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -20.536 16.112 0.000) 26.102 1.465 ( -20.266 25.472 0.000) 32.550 2.696 ( -20.288 48.379 0.000) 52.461 2.911 ( -19.795 14.229 0.000) 24.379 3.325 ( -9.129 17.087 0.000) 19.373 4.660 ( -1.579 -27.049 -0.000) 27.095 4.687 ( -1.268 -8.509 -0.000) 8.603 4.800 ( -2.279 -11.131 -0.000) 11.362 5.384 ( -0.566 0.240 0.000) 0.615 5.482 ( -7.909 -5.721 -0.000) 9.761 5.484 ( -6.739 -1.518 0.000) 6.908 6.103 ( -4.402 6.265 0.000) 7.656 6.504 ( 0.453 3.775 0.000) 3.802 7.112 ( 2.532 -7.784 -0.000) 8.185 7.234 ( 3.400 -4.650 -0.000) 5.761 10.120 ( -4.380 36.508 0.000) 36.769 10.259 ( -7.994 2.750 0.000) 8.454 12.832 ( 7.710 1.049 -0.000) 7.781 13.808 ( 4.120 -22.384 -0.000) 22.760 13.869 ( -4.838 14.560 0.000) 15.342 13.960 ( -5.354 -8.375 -0.000) 9.940 15.909 ( -1.791 10.312 0.000) 10.467 16.135 ( 2.746 -9.084 -0.000) 9.490 16.194 ( -6.009 -17.277 -0.000) 18.292 16.857 ( -0.677 -1.319 -0.000) 1.482 17.077 ( 5.191 3.299 0.000) 6.150 17.422 ( 7.498 -3.745 -0.000) 8.381 ======================= Grid point 97 (90/215) ======================= q-point: ( 0.14 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 21.730 16.227 11.218) 29.349 2.446 ( 26.491 20.914 2.779) 33.866 3.710 ( 24.058 10.960 -8.042) 27.633 3.893 ( 25.263 19.327 -6.560) 32.477 4.410 ( 32.623 9.172 5.518) 34.334 4.679 ( 6.946 -15.894 -6.625) 18.567 4.933 ( 6.746 -7.494 4.284) 10.955 5.018 ( 10.239 -14.274 1.396) 17.622 5.501 ( 7.054 -1.007 1.462) 7.274 5.845 ( 7.030 3.397 3.721) 8.648 5.895 ( 6.565 -9.934 1.092) 11.957 6.433 ( 15.736 2.826 -4.257) 16.545 6.651 ( 7.556 1.597 1.815) 7.933 6.861 ( -3.219 1.685 -7.454) 8.293 7.162 ( -2.917 -3.427 5.632) 7.209 10.364 ( 6.218 20.961 -1.544) 21.919 10.895 ( 20.140 3.283 1.752) 20.481 12.241 ( -19.724 -0.253 -0.991) 19.750 13.542 ( -8.612 -14.563 1.940) 17.029 14.163 ( 7.784 13.675 0.091) 15.736 14.296 ( 9.117 -9.041 0.347) 12.845 15.704 ( -13.876 2.816 0.070) 14.159 16.090 ( -0.853 8.919 0.236) 8.963 16.141 ( -9.944 -2.027 0.577) 10.165 16.826 ( -3.495 -6.019 -0.335) 6.968 16.844 ( -2.134 -5.603 0.150) 5.998 16.964 ( -9.748 -16.217 -3.503) 19.243 ======================= Grid point 98 (91/215) ======================= q-point: (-0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.902 ( -1.409 4.909 0.000) 5.108 4.045 ( -1.466 -20.789 -0.000) 20.841 4.602 ( 1.122 -1.168 -0.000) 1.620 5.387 ( -0.679 1.976 0.000) 2.089 5.506 ( 7.299 1.333 -0.000) 7.419 5.555 ( 3.266 0.349 -0.000) 3.285 5.595 ( -4.945 -0.196 0.000) 4.949 5.641 ( 2.467 0.713 -0.000) 2.568 5.698 ( -5.182 0.082 0.000) 5.183 6.013 ( 0.091 3.620 0.000) 3.621 6.346 ( -0.526 -6.771 -0.000) 6.792 7.481 ( 0.852 -9.974 -0.000) 10.010 7.572 ( -1.131 -5.724 -0.000) 5.835 7.991 ( -0.283 11.459 0.000) 11.463 8.240 ( 0.481 8.432 0.000) 8.445 9.815 ( -0.402 19.246 0.000) 19.251 10.662 ( -0.535 0.404 0.000) 0.671 12.353 ( 0.031 -1.174 -0.000) 1.174 13.059 ( 0.658 -14.300 -0.000) 14.315 14.560 ( 0.122 6.919 0.000) 6.920 14.695 ( 0.365 -14.710 -0.000) 14.715 14.998 ( 0.083 2.579 0.000) 2.580 15.323 ( 0.149 -20.986 -0.000) 20.987 15.661 ( -0.803 -3.778 -0.000) 3.863 15.694 ( 0.102 11.896 0.000) 11.896 16.533 ( -0.126 18.513 0.000) 18.514 16.908 ( -0.164 5.130 0.000) 5.133 ======================= Grid point 99 (92/215) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( -15.394 -20.711 -8.182) 27.072 3.442 ( -16.724 -16.154 -1.818) 23.322 3.910 ( -18.387 5.318 6.263) 20.139 4.228 ( -13.849 -14.144 5.169) 20.458 4.521 ( -15.627 1.131 2.169) 15.817 4.922 ( -21.877 19.158 1.820) 29.137 5.121 ( -9.969 6.001 -2.645) 11.932 5.169 ( -12.136 5.840 -0.101) 13.468 5.760 ( -0.864 5.053 -3.124) 6.003 5.932 ( -19.100 0.993 -2.681) 19.313 6.359 ( 2.652 -4.972 -7.789) 9.613 6.612 ( 0.660 -2.798 5.224) 5.963 6.774 ( -20.504 -3.984 2.776) 21.071 6.845 ( -20.796 -4.444 3.521) 21.555 7.250 ( -6.590 3.790 -1.743) 7.799 10.583 ( 11.229 -9.180 0.906) 14.532 11.413 ( -19.997 -1.015 -0.279) 20.024 11.744 ( 23.254 -0.301 0.451) 23.260 13.289 ( -0.761 9.743 -1.717) 9.922 14.314 ( -6.843 5.857 -0.102) 9.008 14.640 ( -5.920 -17.812 -0.181) 18.771 15.601 ( 9.274 -10.134 -0.303) 13.740 15.874 ( 11.790 1.791 -0.463) 11.935 16.209 ( 7.697 8.543 0.915) 11.535 16.230 ( 8.019 1.501 1.353) 8.269 16.540 ( 5.456 11.879 0.049) 13.072 16.798 ( 0.931 3.759 -0.256) 3.881 ======================= Grid point 100 (93/215) ======================= q-point: (-0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.000 -11.752 -26.509) 28.997 1.902 ( 0.000 -19.132 -7.367) 20.501 2.870 ( -0.000 -14.461 5.362) 15.423 3.279 ( -0.000 -29.006 7.028) 29.845 3.478 ( -0.000 1.878 11.741) 11.891 4.058 ( 0.000 -3.765 -6.606) 7.604 4.478 ( 0.000 12.410 2.131) 12.591 4.671 ( 0.000 8.639 -4.069) 9.550 5.281 ( 0.000 4.417 -0.038) 4.417 5.403 ( -0.000 -4.271 1.330) 4.473 5.436 ( 0.000 0.655 -1.992) 2.097 5.978 ( -0.000 -9.115 8.113) 12.203 6.760 ( 0.000 11.347 -6.984) 13.324 6.896 ( -0.000 3.782 1.657) 4.130 7.117 ( 0.000 9.385 0.820) 9.421 10.292 ( 0.000 -1.271 -2.825) 3.097 10.856 ( -0.000 -41.461 2.390) 41.530 12.943 ( -0.000 -1.053 -0.173) 1.067 13.336 ( 0.000 30.631 -1.516) 30.669 13.749 ( 0.000 5.946 0.047) 5.946 14.163 ( -0.000 -18.589 0.090) 18.589 15.757 ( 0.000 18.995 -0.185) 18.996 15.940 ( 0.000 11.670 -1.045) 11.717 16.102 ( -0.000 -9.025 0.133) 9.026 16.842 ( 0.000 0.505 -0.112) 0.517 17.240 ( -0.000 -3.981 -0.897) 4.081 17.396 ( -0.000 -1.574 3.447) 3.789 ======================= Grid point 101 (94/215) ======================= q-point: (-0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 22.825 -21.989 -6.333) 32.321 3.344 ( 20.334 -17.090 -1.968) 26.635 4.286 ( 12.596 7.796 10.703) 18.275 4.448 ( 14.509 -6.665 5.153) 16.778 4.592 ( 9.640 0.363 -0.378) 9.654 4.930 ( 7.694 7.702 -7.264) 13.087 5.028 ( 22.890 12.865 1.770) 26.317 5.161 ( 21.477 -2.981 1.936) 21.769 5.657 ( 4.882 9.920 -1.568) 11.167 5.730 ( 6.743 0.012 -6.000) 9.026 6.139 ( 2.635 -9.330 -2.832) 10.100 6.821 ( 9.746 0.802 4.912) 10.943 6.884 ( 15.577 -4.220 2.156) 16.282 6.978 ( 13.757 -0.945 2.798) 14.070 7.124 ( 5.966 1.828 -4.557) 7.726 10.633 ( -12.284 -8.767 1.172) 15.137 11.375 ( 20.086 -2.005 -1.280) 20.227 11.789 ( -22.158 1.013 1.358) 22.223 13.202 ( 1.323 8.477 -1.897) 8.787 14.310 ( 6.886 5.378 -0.067) 8.737 14.631 ( 5.733 -17.822 -0.187) 18.723 15.588 ( -9.203 -10.335 -0.238) 13.841 15.853 ( -11.184 2.545 -0.409) 11.478 16.244 ( -3.455 -5.964 0.628) 6.921 16.300 ( -13.861 17.375 1.469) 22.275 16.542 ( -5.304 12.003 0.056) 13.123 16.786 ( -0.480 3.547 -0.232) 3.587 ======================= Grid point 106 (95/215) ======================= q-point: ( 0.47 -0.47 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.811 ( -0.539 -0.816 -0.000) 0.978 4.081 ( -11.485 -14.761 -0.000) 18.703 4.310 ( -13.720 7.560 0.000) 15.665 4.982 ( -13.609 -2.627 0.000) 13.860 5.334 ( -10.522 -6.271 -0.000) 12.249 5.347 ( -9.420 6.912 0.000) 11.684 5.475 ( -8.887 0.166 0.000) 8.889 5.510 ( -13.626 3.064 0.000) 13.966 5.799 ( -0.202 -0.473 -0.000) 0.515 5.881 ( 6.133 4.236 0.000) 7.454 6.307 ( -0.584 -0.132 0.000) 0.599 7.313 ( -18.294 -5.378 0.000) 19.068 7.540 ( -9.289 -0.635 0.000) 9.311 7.602 ( -10.512 1.960 0.000) 10.693 7.708 ( -15.908 1.791 0.000) 16.008 9.848 ( 17.416 4.460 -0.000) 17.978 10.904 ( 14.049 -0.408 -0.000) 14.055 12.127 ( -12.081 -0.175 0.000) 12.083 13.327 ( -0.407 -2.098 -0.000) 2.137 14.412 ( -2.275 2.077 0.000) 3.080 15.122 ( 2.499 -18.123 -0.000) 18.294 15.254 ( 13.421 -0.601 -0.000) 13.435 15.506 ( 4.637 18.972 0.000) 19.531 15.717 ( 1.119 -18.736 -0.000) 18.769 15.981 ( 10.048 -1.321 -0.000) 10.134 16.115 ( -0.224 17.349 0.000) 17.350 16.767 ( -2.245 1.886 0.000) 2.932 ======================= Grid point 107 (96/215) ======================= q-point: (-0.53 -0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -20.365 5.657 -3.098) 21.362 3.073 ( -29.867 -11.824 -1.937) 32.181 3.176 ( -10.104 -2.937 -0.950) 10.565 3.728 ( -3.380 -3.975 3.460) 6.261 3.830 ( -24.915 -8.195 1.856) 26.294 4.169 ( -5.283 5.560 -3.180) 8.303 4.350 ( -3.346 0.145 5.758) 6.661 4.714 ( -5.769 8.478 -2.735) 10.613 5.424 ( -5.954 1.107 -0.524) 6.079 5.620 ( -6.203 2.308 -0.941) 6.685 6.060 ( -16.807 -16.712 -1.955) 23.782 6.206 ( -9.346 -8.226 3.392) 12.905 6.513 ( -4.779 19.256 -1.045) 19.868 6.793 ( -0.070 0.923 0.348) 0.990 6.926 ( 5.044 0.157 0.439) 5.065 10.646 ( -14.968 0.831 -0.578) 15.002 11.451 ( 10.675 -24.239 1.355) 26.520 12.611 ( 15.019 1.022 -0.969) 15.085 12.783 ( -3.861 19.906 -0.206) 20.278 13.886 ( -9.064 1.931 -0.002) 9.268 14.694 ( -7.347 -13.698 0.003) 15.544 15.525 ( -4.958 14.300 0.016) 15.135 15.767 ( -0.239 3.040 -0.157) 3.053 16.332 ( -3.114 -2.770 -0.003) 4.168 16.782 ( 3.038 0.230 0.561) 3.098 16.978 ( 14.462 0.276 0.272) 14.467 17.004 ( 17.085 -1.302 -0.380) 17.139 ======================= Grid point 109 (97/215) ======================= q-point: (-0.53 0.28 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.824 ( 1.684 0.335 0.842) 1.912 3.986 ( 16.120 -15.850 -2.198) 22.714 4.421 ( 8.573 10.688 2.397) 13.909 5.010 ( 12.134 -0.420 0.409) 12.149 5.258 ( 10.512 -4.105 -3.486) 11.811 5.453 ( 8.791 -1.123 -0.098) 8.863 5.477 ( 5.318 1.771 -0.081) 5.605 5.506 ( 13.073 5.703 -0.728) 14.282 5.646 ( 3.531 0.014 7.915) 8.667 5.960 ( -4.616 -1.046 -6.855) 8.331 6.274 ( 3.552 -1.399 1.389) 4.062 7.374 ( 16.341 -0.595 2.513) 16.544 7.503 ( 10.212 -3.610 -2.639) 11.148 7.575 ( 9.653 1.419 -0.012) 9.757 7.730 ( 15.778 2.619 0.605) 16.005 9.858 ( -17.617 5.263 0.118) 18.387 10.916 ( -14.329 0.806 0.226) 14.353 12.124 ( 12.234 -0.418 -0.030) 12.241 13.308 ( 1.027 -3.972 -0.352) 4.117 14.411 ( 2.228 1.946 -0.017) 2.959 15.108 ( -2.424 -18.304 -0.247) 18.465 15.256 ( -13.514 -0.736 0.027) 13.534 15.512 ( -4.827 18.720 0.134) 19.333 15.710 ( -1.029 -18.772 -0.122) 18.801 15.994 ( -10.043 0.527 0.224) 10.060 16.124 ( -0.039 17.063 0.160) 17.064 16.769 ( 2.309 2.047 0.029) 3.086 ======================= Grid point 110 (98/215) ======================= q-point: (-0.09 -0.41 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -15.525 0.000 -4.531) 16.173 3.515 ( -38.649 0.000 -0.994) 38.661 3.976 ( -7.008 0.000 7.204) 10.051 4.642 ( -30.608 0.000 6.289) 31.247 4.820 ( 2.290 -0.000 2.361) 3.289 5.332 ( -10.939 0.000 -4.416) 11.796 5.455 ( -5.956 0.000 -8.560) 10.428 5.592 ( -3.335 0.000 -5.324) 6.282 5.939 ( 1.689 0.000 -4.196) 4.523 6.266 ( 7.875 -0.000 7.133) 10.626 6.661 ( -28.114 0.000 1.529) 28.156 6.712 ( -12.144 0.000 1.150) 12.198 6.839 ( 14.000 -0.000 -2.677) 14.253 7.074 ( -25.993 0.000 3.967) 26.294 7.460 ( -28.570 0.000 -0.117) 28.570 10.545 ( -11.127 0.000 0.436) 11.136 11.378 ( 19.438 -0.000 2.579) 19.608 11.698 ( -18.753 0.000 -0.787) 18.769 13.180 ( 16.416 -0.000 -2.524) 16.609 14.107 ( -2.972 0.000 -0.017) 2.972 14.753 ( 18.219 -0.000 -0.062) 18.219 14.949 ( -6.669 0.000 0.050) 6.669 15.478 ( 12.862 -0.000 -0.175) 12.863 15.685 ( 8.702 -0.000 -0.065) 8.702 16.759 ( 14.329 -0.000 0.384) 14.334 17.057 ( -2.748 0.000 0.309) 2.765 17.074 ( -1.323 0.000 1.402) 1.928 ======================= Grid point 111 (99/215) ======================= q-point: (-0.09 -0.16 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -26.108 0.000 -5.831) 26.751 0.808 ( -12.764 0.000 -27.602) 30.411 1.378 ( -53.218 0.000 -12.901) 54.759 2.546 ( -27.945 0.000 4.049) 28.237 2.742 ( -9.635 0.000 11.210) 14.782 4.911 ( -3.163 0.000 -11.200) 11.638 5.026 ( -4.170 -0.000 8.055) 9.070 5.153 ( 2.437 -0.000 6.500) 6.942 5.280 ( 0.451 -0.000 8.598) 8.610 5.583 ( -7.138 0.000 0.177) 7.141 5.658 ( -11.750 0.000 3.106) 12.154 6.144 ( -0.349 0.000 -12.083) 12.089 6.929 ( 30.236 -0.000 -32.025) 44.043 6.979 ( 2.596 -0.000 15.700) 15.913 7.468 ( 3.844 0.000 -9.692) 10.427 9.208 ( -9.845 0.000 1.677) 9.986 10.194 ( -7.742 0.000 -2.608) 8.169 12.824 ( 8.025 -0.000 -1.175) 8.111 13.555 ( -5.342 0.000 -0.012) 5.342 14.214 ( -5.602 0.000 0.014) 5.602 14.340 ( 10.424 -0.000 -4.371) 11.303 15.618 ( -4.540 0.000 -2.140) 5.019 16.350 ( 9.734 -0.000 -0.044) 9.734 16.652 ( 7.472 -0.000 0.107) 7.473 16.880 ( -0.404 0.000 -0.694) 0.803 17.003 ( 0.436 -0.000 0.259) 0.507 17.555 ( -26.873 0.000 37.366) 46.025 ======================= Grid point 112 (100/215) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 22.837 0.000 -0.000) 22.837 1.902 ( 36.731 0.000 -0.000) 36.731 3.391 ( 38.126 0.000 -0.000) 38.126 3.592 ( 26.186 0.000 -0.000) 26.186 4.111 ( 38.429 0.000 -0.000) 38.429 5.006 ( 5.435 0.000 -0.000) 5.435 5.191 ( -2.944 -0.000 0.000) 2.944 5.232 ( 3.532 0.000 -0.000) 3.532 5.601 ( 16.833 0.000 -0.000) 16.833 5.724 ( 2.799 0.000 -0.000) 2.799 6.180 ( 13.195 0.000 -0.000) 13.195 6.443 ( 14.063 0.000 -0.000) 14.063 6.553 ( 10.725 0.000 -0.000) 10.725 6.929 ( -11.005 -0.000 0.000) 11.005 7.083 ( -5.487 -0.000 0.000) 5.487 9.885 ( 19.467 0.000 -0.000) 19.467 10.788 ( 21.018 0.000 -0.000) 21.018 12.262 ( -18.408 -0.000 0.000) 18.408 13.820 ( -15.806 -0.000 0.000) 15.806 13.872 ( 8.119 0.000 -0.000) 8.119 14.578 ( 10.372 0.000 -0.000) 10.372 15.647 ( -22.318 -0.000 0.000) 22.318 15.777 ( 2.463 0.000 -0.000) 2.463 16.122 ( -16.585 -0.000 0.000) 16.585 16.914 ( 1.385 0.000 -0.000) 1.385 16.996 ( 0.419 0.000 -0.000) 0.419 17.598 ( -15.249 -0.000 0.000) 15.249 ======================= Grid point 113 (101/215) ======================= q-point: (-0.09 0.34 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 9.617 -0.000 -0.930) 9.662 4.204 ( 0.325 0.000 -2.351) 2.373 4.581 ( -5.043 0.000 1.970) 5.414 4.977 ( 31.371 -0.000 0.241) 31.372 5.468 ( 8.485 -0.000 -0.941) 8.537 5.502 ( 2.535 -0.000 1.229) 2.817 5.558 ( 1.274 -0.000 1.914) 2.299 5.747 ( 0.589 -0.000 0.778) 0.976 5.938 ( 1.480 -0.000 -0.194) 1.493 6.095 ( -6.045 0.000 -1.094) 6.144 6.135 ( -10.412 0.000 0.720) 10.437 7.085 ( 2.490 -0.000 -1.646) 2.985 7.251 ( 6.860 -0.000 0.724) 6.898 8.277 ( 18.911 -0.000 -1.169) 18.947 8.409 ( 12.261 -0.000 0.324) 12.265 10.705 ( -0.871 0.000 0.066) 0.874 10.839 ( -7.526 0.000 -0.865) 7.575 12.209 ( 5.972 -0.000 0.072) 5.972 12.672 ( -5.214 0.000 0.845) 5.282 14.157 ( 0.208 -0.000 -0.007) 0.208 14.284 ( -4.825 0.000 -0.047) 4.825 15.125 ( 1.955 -0.000 -0.005) 1.955 15.148 ( -3.239 0.000 0.116) 3.241 15.323 ( -7.115 0.000 -0.472) 7.131 16.185 ( -9.077 0.000 0.386) 9.085 17.159 ( 1.129 -0.000 -0.302) 1.168 17.175 ( 1.833 -0.000 -0.017) 1.833 ======================= Grid point 114 (102/215) ======================= q-point: ( 0.35 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( -23.278 22.849 0.000) 32.618 3.674 ( -8.737 14.826 0.000) 17.209 4.059 ( -10.839 -20.589 -0.000) 23.268 4.502 ( -16.601 -10.182 -0.000) 19.475 4.586 ( -20.030 3.137 0.000) 20.274 4.657 ( -10.987 -8.186 -0.000) 13.701 4.959 ( -15.769 2.327 0.000) 15.939 5.167 ( -22.048 -7.512 0.000) 23.293 5.624 ( -5.089 6.677 0.000) 8.395 5.680 ( -3.907 3.960 0.000) 5.563 6.315 ( 0.721 8.606 0.000) 8.636 6.845 ( -5.079 -4.926 -0.000) 7.076 6.889 ( -15.742 -2.749 0.000) 15.980 7.037 ( -15.689 -2.250 0.000) 15.849 7.039 ( -13.827 3.510 0.000) 14.265 10.773 ( 23.013 2.767 -0.000) 23.179 11.394 ( -19.293 1.253 0.000) 19.334 11.781 ( 22.296 -1.031 -0.000) 22.320 13.062 ( -9.693 -2.308 0.000) 9.964 14.244 ( -6.813 -1.468 0.000) 6.969 14.994 ( -6.224 15.433 0.000) 16.641 15.651 ( 0.748 -13.408 -0.000) 13.429 15.778 ( 0.335 6.949 0.000) 6.957 16.101 ( 23.637 -3.491 -0.000) 23.893 16.320 ( 10.942 -5.306 -0.000) 12.161 16.347 ( 5.964 -0.288 -0.000) 5.971 16.731 ( 0.968 -1.360 -0.000) 1.669 ======================= Grid point 115 (103/215) ======================= q-point: ( 0.35 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -0.000 24.355 13.302) 27.750 2.149 ( 0.000 12.357 1.915) 12.505 3.114 ( 0.000 2.553 -1.402) 2.913 3.359 ( 0.000 -20.887 -12.272) 24.226 3.948 ( 0.000 16.342 -3.450) 16.702 4.100 ( -0.000 1.013 4.957) 5.059 4.294 ( -0.000 -7.478 -0.619) 7.504 4.399 ( -0.000 0.592 4.762) 4.799 5.209 ( -0.000 -2.027 -0.162) 2.034 5.415 ( -0.000 1.195 0.701) 1.386 5.691 ( 0.000 22.200 -0.115) 22.200 6.199 ( -0.000 -13.788 -2.907) 14.091 6.346 ( -0.000 -8.137 1.276) 8.236 6.864 ( -0.000 -6.210 -0.619) 6.241 7.005 ( 0.000 2.139 0.630) 2.230 10.287 ( -0.000 1.832 0.751) 1.980 11.712 ( 0.000 34.524 -1.308) 34.548 12.636 ( -0.000 -30.810 0.743) 30.819 12.973 ( -0.000 0.592 0.306) 0.667 13.666 ( -0.000 -2.113 -0.014) 2.113 14.522 ( 0.000 13.324 -0.053) 13.324 15.392 ( -0.000 -13.442 0.076) 13.443 15.758 ( -0.000 -4.168 0.217) 4.173 16.232 ( 0.000 3.232 -0.032) 3.232 16.832 ( -0.000 -0.081 0.236) 0.250 17.287 ( 0.000 1.977 0.489) 2.036 17.434 ( 0.000 -1.525 -1.118) 1.890 ======================= Grid point 116 (104/215) ======================= q-point: ( 0.35 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 19.806 20.452 8.273) 29.648 3.717 ( 7.709 12.462 1.693) 14.751 3.792 ( 13.799 -17.420 -8.247) 23.705 4.477 ( 16.224 -8.199 -1.129) 18.213 4.531 ( 19.278 4.242 -1.228) 19.777 4.801 ( 19.900 1.975 -6.702) 21.091 4.929 ( 10.877 -5.540 5.687) 13.467 5.097 ( 18.292 -1.801 -1.784) 18.466 5.539 ( 0.733 -4.864 3.055) 5.791 5.918 ( 12.080 2.402 2.547) 12.577 6.342 ( -4.139 3.615 2.526) 6.048 6.702 ( 7.076 -0.593 -2.636) 7.574 6.940 ( 13.308 1.455 -2.852) 13.688 6.966 ( 18.321 5.407 -0.800) 19.119 7.105 ( 12.846 -5.595 2.222) 14.186 10.752 ( -22.138 4.243 -0.692) 22.552 11.422 ( 20.070 0.506 0.410) 20.081 11.755 ( -23.707 -0.122 -0.459) 23.711 13.090 ( 9.281 -4.766 1.106) 10.492 14.243 ( 6.803 -1.462 -0.013) 6.959 14.998 ( 6.339 15.184 0.171) 16.455 15.655 ( -0.444 -14.015 0.123) 14.022 15.781 ( -0.333 6.562 0.163) 6.572 16.083 ( -23.475 -1.425 -0.763) 23.531 16.320 ( -11.135 -4.771 0.012) 12.114 16.339 ( -6.207 -0.120 -0.356) 6.218 16.733 ( -1.062 -1.696 0.146) 2.007 ======================= Grid point 117 (105/215) ======================= q-point: ( 0.35 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.830 ( 0.343 -1.827 0.012) 1.859 4.361 ( 0.328 8.590 0.141) 8.598 4.620 ( -0.139 0.496 -0.038) 0.517 5.371 ( 0.521 -0.729 -1.321) 1.596 5.471 ( -2.622 -0.249 1.099) 2.854 5.548 ( 1.462 -0.523 3.185) 3.544 5.571 ( -0.991 -0.208 -1.700) 1.979 5.678 ( -2.286 0.680 -1.827) 3.004 5.690 ( 3.340 -0.248 0.352) 3.368 5.959 ( -0.035 -1.433 -0.022) 1.434 6.442 ( 0.150 2.477 0.029) 2.482 7.660 ( -0.060 6.773 0.582) 6.798 7.681 ( 0.268 4.502 -0.225) 4.516 7.795 ( -0.464 -7.207 -0.316) 7.229 8.071 ( 0.179 -6.475 0.073) 6.478 9.525 ( 0.120 -7.834 -0.052) 7.835 10.662 ( 0.118 0.163 0.042) 0.206 12.369 ( -0.009 0.361 -0.010) 0.362 13.286 ( -0.160 6.416 0.002) 6.418 14.462 ( -0.029 -2.459 -0.009) 2.459 14.958 ( 0.040 -1.069 -0.002) 1.070 14.985 ( -0.250 11.848 0.007) 11.851 15.446 ( 0.068 -10.714 0.007) 10.714 15.712 ( -0.228 1.505 -0.023) 1.523 15.729 ( 0.333 18.409 0.021) 18.412 16.144 ( 0.102 -18.742 -0.001) 18.742 16.832 ( 0.038 -2.028 0.001) 2.028 ======================= Grid point 118 (106/215) ======================= q-point: (-0.21 -0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -14.143 -7.996 -16.850) 23.407 2.137 ( -31.278 -15.140 -3.925) 34.970 3.363 ( -29.021 -4.945 9.092) 30.811 3.445 ( -26.905 -10.133 7.840) 29.799 4.305 ( -41.347 -10.766 -6.411) 43.204 4.792 ( -3.286 7.939 7.932) 11.693 5.121 ( -7.708 5.807 -1.129) 9.717 5.278 ( -9.289 6.706 -4.321) 12.245 5.461 ( -11.482 -3.312 2.577) 12.225 5.973 ( -7.041 1.401 -8.586) 11.191 6.121 ( -9.054 9.859 0.525) 13.396 6.335 ( -12.671 1.628 2.805) 13.080 6.607 ( 2.005 -4.837 8.253) 9.774 6.723 ( 0.314 1.158 -2.786) 3.034 7.315 ( 7.570 1.339 -5.056) 9.201 9.981 ( -16.180 -12.555 1.579) 20.541 10.871 ( -19.830 -2.659 -2.173) 20.125 12.223 ( 19.902 0.305 1.375) 19.952 13.803 ( 13.597 6.882 -2.244) 15.403 13.949 ( -8.042 -7.272 -0.107) 10.843 14.492 ( -9.789 7.682 -0.455) 12.451 15.652 ( 17.868 -1.226 0.187) 17.911 15.947 ( 1.892 -6.950 -3.002) 7.803 16.142 ( 15.633 -1.595 -0.097) 15.715 16.907 ( -0.734 2.035 -0.491) 2.218 16.944 ( 0.537 4.001 0.269) 4.046 17.179 ( 5.967 13.423 9.238) 17.353 ======================= Grid point 120 (107/215) ======================= q-point: (-0.21 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 22.076 -11.106 -0.000) 24.712 3.513 ( 34.681 -2.092 -0.000) 34.744 4.268 ( 6.916 -8.538 -0.000) 10.987 4.791 ( 4.330 1.867 -0.000) 4.715 4.880 ( 21.742 -2.359 -0.000) 21.869 5.194 ( 5.811 2.564 -0.000) 6.351 5.343 ( 9.141 -1.383 -0.000) 9.245 5.399 ( 3.917 0.238 -0.000) 3.924 5.862 ( 2.614 -3.161 -0.000) 4.102 6.276 ( -4.633 12.493 0.000) 13.325 6.437 ( 11.063 14.718 0.000) 18.412 6.867 ( 9.593 -8.996 -0.000) 13.152 6.935 ( 2.265 -8.061 -0.000) 8.373 7.208 ( 26.020 -2.652 -0.000) 26.155 7.435 ( 27.094 1.261 -0.000) 27.123 10.518 ( 6.564 3.410 -0.000) 7.397 11.414 ( -18.870 2.274 0.000) 19.006 11.707 ( 18.234 -2.302 -0.000) 18.378 13.132 ( -14.484 -1.346 0.000) 14.546 14.182 ( 3.044 -7.240 -0.000) 7.854 14.797 ( -2.057 4.645 0.000) 5.080 14.874 ( -8.097 -3.222 0.000) 8.715 15.481 ( -13.622 -0.716 0.000) 13.641 15.790 ( -6.534 -8.725 -0.000) 10.901 16.701 ( -15.908 6.777 0.000) 17.291 16.990 ( 2.428 7.018 0.000) 7.427 17.039 ( 1.430 6.241 0.000) 6.402 ======================= Grid point 121 (108/215) ======================= q-point: (-0.21 -0.54 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( -9.924 -14.032 0.813) 17.205 4.069 ( -4.586 4.447 1.251) 6.509 4.631 ( 4.255 0.268 -0.434) 4.285 5.058 ( -27.893 -5.787 -0.198) 28.488 5.425 ( -11.010 0.009 0.626) 11.028 5.605 ( 1.510 2.259 -0.807) 2.834 5.627 ( 3.136 0.610 -4.893) 5.843 5.777 ( 5.426 0.647 -0.796) 5.522 5.856 ( 1.210 2.372 3.003) 4.013 6.048 ( -9.495 2.222 0.529) 9.766 6.160 ( 14.376 -1.831 -0.039) 14.493 7.096 ( -3.207 -6.512 0.454) 7.273 7.299 ( -6.517 -2.906 0.122) 7.137 8.185 ( -19.123 3.912 1.192) 19.556 8.382 ( -12.152 3.530 -0.495) 12.664 10.588 ( 0.605 11.657 0.036) 11.672 10.776 ( 5.707 1.916 0.770) 6.069 12.229 ( -5.704 -1.479 -0.064) 5.893 12.724 ( 8.134 -2.697 -0.772) 8.605 14.230 ( 0.082 -6.939 -0.041) 6.940 14.469 ( 3.065 -16.542 0.013) 16.824 14.956 ( -0.365 11.161 -0.019) 11.167 15.139 ( 3.717 1.404 -0.099) 3.975 15.445 ( 4.813 -8.875 0.484) 10.108 16.149 ( 9.129 5.243 -0.304) 10.532 17.091 ( -1.888 7.820 0.022) 8.045 17.105 ( -1.790 3.898 0.251) 4.297 ======================= Grid point 122 (109/215) ======================= q-point: ( 0.23 -0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -24.355 22.334 0.000) 33.045 2.430 ( -22.980 25.220 0.000) 34.120 3.656 ( -20.966 14.574 0.000) 25.534 3.878 ( -20.969 20.336 0.000) 29.211 3.900 ( -20.747 7.189 0.000) 21.957 4.197 ( -7.211 -24.871 -0.000) 25.895 4.530 ( -3.231 -11.673 -0.000) 12.112 4.629 ( -2.861 -8.485 -0.000) 8.954 5.431 ( -2.396 3.120 0.000) 3.934 5.534 ( -8.409 -6.883 -0.000) 10.867 5.744 ( -13.402 8.020 0.000) 15.619 6.333 ( -5.967 4.345 0.000) 7.382 6.553 ( -2.922 -1.068 0.000) 3.111 6.945 ( 0.825 -3.886 -0.000) 3.972 7.028 ( 2.438 -8.212 -0.000) 8.566 10.565 ( -15.635 2.774 0.000) 15.879 10.913 ( 1.237 33.561 0.000) 33.584 12.617 ( 15.259 0.794 -0.000) 15.280 13.207 ( 2.824 -26.165 -0.000) 26.317 13.962 ( -8.661 -5.506 -0.000) 10.263 14.338 ( -7.188 18.218 0.000) 19.585 15.844 ( 3.242 -5.179 -0.000) 6.110 15.910 ( -4.507 -19.848 -0.000) 20.353 16.225 ( -3.600 7.453 0.000) 8.277 16.820 ( 1.063 -2.018 -0.000) 2.281 16.944 ( 11.633 0.500 -0.000) 11.644 17.083 ( 17.401 -3.362 -0.000) 17.723 ======================= Grid point 124 (110/215) ======================= q-point: ( 0.23 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( 17.075 20.718 1.933) 26.917 3.852 ( 3.454 -0.517 -1.326) 3.735 4.529 ( 6.596 -5.502 -2.591) 8.971 4.920 ( 16.542 6.262 -1.403) 17.743 5.258 ( 10.946 2.156 0.140) 11.157 5.431 ( 9.333 -0.220 0.955) 9.384 5.501 ( 3.878 -0.497 2.661) 4.729 5.599 ( 8.327 -3.340 -0.973) 9.024 5.696 ( 3.164 -9.460 -0.017) 9.975 6.019 ( -7.262 1.539 1.379) 7.550 6.247 ( 3.369 -0.368 0.867) 3.498 7.253 ( 14.753 4.723 -2.068) 15.628 7.420 ( 5.165 7.520 0.950) 9.172 7.665 ( 15.720 -3.928 -0.944) 16.231 7.788 ( 20.754 -4.443 0.511) 21.230 10.040 ( -12.015 -12.553 -0.479) 17.383 10.926 ( -14.488 -1.238 -0.907) 14.569 12.111 ( 12.208 1.137 0.164) 12.262 13.196 ( -4.310 7.912 1.283) 9.100 14.499 ( 2.848 -6.738 0.140) 7.317 14.748 ( -0.474 16.961 0.386) 16.972 15.246 ( -12.222 0.278 0.026) 12.225 15.325 ( -2.192 19.176 0.147) 19.301 15.877 ( -8.325 -14.699 -0.145) 16.893 15.926 ( -9.691 2.879 -0.904) 10.150 16.492 ( 1.299 -17.718 -0.155) 17.766 16.842 ( 2.495 -4.972 -0.135) 5.565 ======================= Grid point 125 (111/215) ======================= q-point: ( 0.23 -0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.577 ( -19.570 20.780 -1.103) 28.566 3.870 ( -4.191 -1.909 0.596) 4.644 4.582 ( -3.025 -5.040 2.656) 6.450 4.943 ( -15.149 6.443 0.755) 16.480 5.223 ( -8.250 -0.596 -2.726) 8.710 5.428 ( -13.563 0.696 0.089) 13.581 5.474 ( -3.277 0.892 0.239) 3.405 5.602 ( -7.777 -0.649 -0.652) 7.831 5.730 ( -2.325 -9.048 3.011) 9.815 5.959 ( 3.675 -0.807 -4.200) 5.639 6.243 ( -4.149 0.774 0.169) 4.224 7.296 ( -11.140 5.599 2.314) 12.681 7.397 ( -7.521 6.609 -1.434) 10.115 7.677 ( -15.211 -6.690 0.315) 16.620 7.782 ( -20.579 -2.471 -0.080) 20.727 10.048 ( 12.225 -12.644 0.322) 17.591 10.942 ( 14.751 -1.742 0.648) 14.868 12.108 ( -12.330 1.201 -0.099) 12.389 13.174 ( 3.672 8.463 -0.928) 9.272 14.497 ( -2.843 -6.617 -0.088) 7.203 14.741 ( 0.451 16.924 -0.269) 16.932 15.246 ( 12.256 0.350 -0.030) 12.261 15.322 ( 2.109 19.145 -0.111) 19.261 15.881 ( 8.526 -16.280 0.214) 18.379 15.940 ( 9.969 4.184 0.533) 10.825 16.495 ( -1.281 -17.684 0.111) 17.731 16.845 ( -2.556 -5.079 0.097) 5.686 ======================= Grid point 126 (112/215) ======================= q-point: (-0.33 -0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -8.351 -11.129 -24.277) 27.982 1.690 ( -15.328 -20.865 -12.603) 28.795 2.642 ( -17.209 -38.432 2.609) 42.190 2.716 ( -16.270 -16.217 9.500) 24.859 3.307 ( -15.643 -24.216 0.769) 28.839 4.369 ( -1.920 21.661 7.157) 22.894 4.746 ( -1.521 12.127 2.011) 12.386 4.862 ( -3.311 6.360 -1.514) 7.328 5.357 ( -1.513 -2.989 0.132) 3.353 5.492 ( -10.050 3.698 0.693) 10.732 5.537 ( -6.947 2.148 -2.075) 7.561 5.967 ( -2.365 6.325 2.966) 7.375 6.810 ( 4.819 3.120 -6.990) 9.045 6.920 ( 3.183 -0.399 2.507) 4.072 7.362 ( 2.082 12.671 -2.118) 13.014 10.048 ( -4.746 -34.734 2.066) 35.117 10.366 ( -6.998 -3.669 -3.466) 8.628 12.838 ( 8.418 -0.388 -0.362) 8.435 13.857 ( 2.554 16.411 -1.556) 16.682 13.870 ( -3.437 -7.890 -0.271) 8.610 13.962 ( -5.718 8.742 -0.189) 10.448 15.900 ( -1.301 -9.376 0.391) 9.474 16.158 ( -0.591 11.593 -0.943) 11.646 16.207 ( -2.971 14.087 -0.759) 14.417 16.864 ( -0.825 1.532 0.118) 1.744 17.082 ( 5.420 -4.077 -0.212) 6.785 17.245 ( 7.490 -3.829 6.541) 10.655 ======================= Grid point 128 (113/215) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( 11.917 -21.182 -0.000) 24.304 4.038 ( 0.768 6.496 0.000) 6.542 4.587 ( -3.181 -1.070 0.000) 3.356 5.169 ( 20.436 -5.948 -0.000) 21.284 5.380 ( 5.479 3.195 0.000) 6.342 5.498 ( 1.872 -0.199 -0.000) 1.883 5.568 ( 4.227 -0.674 -0.000) 4.280 5.718 ( -1.272 0.822 0.000) 1.514 5.880 ( -6.117 2.182 0.000) 6.494 5.986 ( 8.036 5.224 0.000) 9.585 6.227 ( -3.373 -4.560 -0.000) 5.671 7.267 ( 2.474 -7.431 -0.000) 7.832 7.403 ( 5.340 -6.436 -0.000) 8.363 8.150 ( 9.541 10.793 0.000) 14.405 8.218 ( 14.992 3.795 -0.000) 15.465 10.266 ( -2.242 19.254 0.000) 19.384 10.768 ( -7.389 2.498 0.000) 7.800 12.262 ( 5.892 -1.832 -0.000) 6.170 12.825 ( -5.755 -11.171 -0.000) 12.566 14.424 ( -0.603 -12.213 -0.000) 12.228 14.718 ( 1.609 9.271 0.000) 9.409 14.882 ( -1.147 -20.309 -0.000) 20.341 15.096 ( -4.439 1.998 0.000) 4.869 15.641 ( -6.879 -6.989 -0.000) 9.807 15.980 ( -7.233 9.657 0.000) 12.066 16.862 ( 1.465 14.392 0.000) 14.466 17.012 ( 1.538 6.026 0.000) 6.219 ======================= Grid point 129 (114/215) ======================= q-point: (-0.33 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -13.836 -19.459 -4.092) 24.225 3.602 ( -18.404 -4.113 0.605) 18.868 4.222 ( -17.599 -11.964 1.358) 21.324 4.423 ( -18.753 2.511 5.789) 19.787 4.838 ( -13.954 -1.522 2.007) 14.179 5.385 ( -7.246 4.441 -2.913) 8.984 5.460 ( -8.232 3.161 -3.557) 9.508 5.543 ( -7.987 7.608 0.076) 11.031 5.904 ( 0.698 9.849 0.965) 9.920 6.131 ( 7.783 -3.355 -3.016) 8.996 6.334 ( -3.884 5.212 -5.064) 8.240 6.711 ( -22.689 -3.539 6.020) 23.740 7.135 ( -20.139 -5.589 0.192) 20.901 7.213 ( -10.808 -5.581 1.862) 12.306 7.412 ( -20.876 1.445 -0.779) 20.940 10.399 ( 2.548 4.984 0.535) 5.623 11.296 ( 20.427 1.191 1.262) 20.500 11.774 ( -17.753 -2.051 -0.441) 17.877 13.271 ( 9.820 -1.596 -1.690) 10.091 14.406 ( -3.056 -13.678 -0.186) 14.017 14.607 ( -4.735 10.527 -0.261) 11.546 15.107 ( 11.581 -14.181 -0.182) 18.310 15.510 ( 15.073 -1.623 -0.083) 15.161 15.935 ( 7.848 -8.330 0.855) 11.476 16.427 ( 10.628 16.006 0.657) 19.225 16.778 ( -1.348 12.666 0.126) 12.738 16.899 ( -2.167 5.069 0.081) 5.513 ======================= Grid point 130 (115/215) ======================= q-point: ( 0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 0.000 18.687 0.000) 18.687 1.212 ( 0.000 27.729 0.000) 27.729 2.490 ( 0.000 55.895 0.000) 55.895 2.691 ( 0.000 15.490 0.000) 15.490 3.239 ( 0.000 18.490 0.000) 18.490 4.643 ( -0.000 -28.504 -0.000) 28.504 4.678 ( -0.000 -10.065 -0.000) 10.065 4.775 ( -0.000 -9.886 -0.000) 9.886 5.377 ( -0.000 -1.155 -0.000) 1.155 5.397 ( -0.000 -5.087 -0.000) 5.087 5.409 ( -0.000 -0.495 -0.000) 0.495 6.059 ( 0.000 7.134 0.000) 7.134 6.511 ( 0.000 4.035 0.000) 4.035 7.139 ( -0.000 -8.939 -0.000) 8.939 7.272 ( -0.000 -5.384 -0.000) 5.384 10.074 ( 0.000 38.437 0.000) 38.437 10.178 ( 0.000 2.259 0.000) 2.259 12.912 ( 0.000 1.208 0.000) 1.208 13.817 ( 0.000 14.765 0.000) 14.765 13.853 ( -0.000 -22.974 -0.000) 22.974 13.901 ( -0.000 -8.458 -0.000) 8.458 15.886 ( 0.000 11.859 0.000) 11.859 16.109 ( -0.000 -15.127 -0.000) 15.127 16.164 ( -0.000 -12.117 -0.000) 12.117 16.848 ( -0.000 -0.754 -0.000) 0.754 17.134 ( 0.000 4.611 0.000) 4.611 17.503 ( -0.000 -0.814 -0.000) 0.814 ======================= Grid point 131 (116/215) ======================= q-point: ( 0.11 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 22.177 17.570 6.880) 29.118 3.024 ( 29.162 13.911 2.022) 32.374 4.224 ( 19.249 10.734 -7.190) 23.183 4.257 ( 17.719 7.983 -8.294) 21.130 4.735 ( 5.268 -8.785 -1.029) 10.295 5.060 ( 6.022 -5.073 6.160) 9.997 5.064 ( 22.116 4.548 0.672) 22.589 5.280 ( 11.765 -8.596 2.055) 14.715 5.768 ( 18.664 -7.381 2.839) 20.270 5.959 ( 2.105 -14.183 -0.748) 14.358 5.970 ( 4.301 5.704 4.819) 8.618 6.788 ( 18.441 3.690 -2.812) 19.015 6.817 ( 2.643 2.711 -6.724) 7.716 6.946 ( 18.056 1.687 -1.920) 18.236 7.126 ( -0.097 1.690 5.720) 5.965 10.449 ( 1.606 8.426 -1.060) 8.643 11.326 ( 20.887 2.667 1.264) 21.094 11.811 ( -21.381 -1.149 -1.575) 21.469 13.364 ( -8.614 -6.584 2.058) 11.035 14.306 ( 5.862 13.492 0.146) 14.711 14.468 ( 7.488 -9.769 0.299) 12.312 15.386 ( -15.934 9.009 0.257) 18.307 15.838 ( -16.425 2.222 0.048) 16.575 16.075 ( -2.895 9.362 -0.093) 9.800 16.720 ( -11.259 -20.234 -2.402) 23.280 16.780 ( -1.165 -10.744 -0.102) 10.807 16.862 ( 0.810 -3.772 0.288) 3.869 ======================= Grid point 132 (117/215) ======================= q-point: ( 0.11 -0.61 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.582 ( -0.000 22.143 0.000) 22.143 4.024 ( 0.000 -6.063 0.000) 6.063 4.576 ( 0.000 1.285 0.000) 1.285 5.450 ( 0.000 -0.256 -0.000) 0.256 5.485 ( -0.000 -3.332 0.000) 3.332 5.576 ( 0.000 0.596 0.000) 0.596 5.606 ( 0.000 -2.007 0.000) 2.007 5.663 ( 0.000 0.577 -0.000) 0.577 5.707 ( -0.000 -0.763 0.000) 0.763 6.094 ( -0.000 -4.021 0.000) 4.021 6.184 ( 0.000 8.616 0.000) 8.616 7.277 ( 0.000 8.412 0.000) 8.412 7.461 ( 0.000 5.571 0.000) 5.571 8.231 ( 0.000 -10.891 -0.000) 10.891 8.387 ( 0.000 -6.079 0.000) 6.079 10.242 ( 0.000 -20.531 0.000) 20.531 10.685 ( 0.000 -1.909 0.000) 1.909 12.322 ( 0.000 1.809 0.000) 1.809 12.773 ( 0.000 11.835 0.000) 11.835 14.418 ( 0.000 11.834 0.000) 11.834 14.736 ( 0.000 -10.032 0.000) 10.032 14.873 ( 0.000 22.569 0.000) 22.569 15.055 ( 0.000 -2.715 0.000) 2.715 15.557 ( 0.000 6.382 0.000) 6.382 15.908 ( 0.000 -8.783 0.000) 8.783 16.877 ( 0.000 -14.587 0.000) 14.587 17.025 ( 0.000 -5.812 0.000) 5.812 ======================= Grid point 136 (118/215) ======================= q-point: (-0.45 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 21.974 -21.654 -3.485) 31.047 3.699 ( 13.175 -5.944 -0.799) 14.476 4.471 ( 7.311 8.062 7.320) 13.115 4.680 ( 10.255 -5.846 2.272) 12.021 4.953 ( 20.540 -1.847 1.325) 20.665 5.108 ( 10.871 3.766 -6.550) 13.238 5.351 ( 9.141 3.019 -0.558) 9.643 5.486 ( 9.790 -2.150 5.119) 11.255 5.672 ( 1.300 13.699 0.554) 13.772 5.946 ( 6.983 1.920 -9.172) 11.686 6.170 ( 2.008 -4.646 0.022) 5.061 7.022 ( 13.103 -1.753 6.086) 14.553 7.224 ( 10.529 -3.165 -3.335) 11.490 7.329 ( 21.181 1.113 0.372) 21.213 7.342 ( 16.482 -1.819 0.355) 16.586 10.341 ( -15.303 3.534 0.625) 15.718 11.313 ( -20.619 1.600 0.591) 20.689 11.796 ( 17.570 -1.381 -0.084) 17.625 13.218 ( -0.395 -1.099 -1.477) 1.884 14.425 ( 4.379 5.945 -0.067) 7.384 14.719 ( 2.728 -17.670 -0.251) 17.881 15.413 ( -6.931 -16.264 -0.167) 17.680 15.547 ( -16.366 -2.092 -0.120) 16.499 16.071 ( -9.746 20.430 0.644) 22.645 16.129 ( -7.820 -5.631 0.663) 9.659 16.484 ( -0.694 16.133 0.098) 16.149 16.798 ( 1.641 4.436 -0.028) 4.730 ======================= Grid point 137 (119/215) ======================= q-point: (-0.45 -0.55 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.864 ( -2.215 3.463 0.000) 4.111 3.910 ( -10.257 -21.941 -0.000) 24.220 4.597 ( -2.719 1.969 0.000) 3.357 5.237 ( -13.727 -0.673 0.000) 13.744 5.445 ( -8.003 -1.206 0.000) 8.094 5.520 ( -2.205 1.525 0.000) 2.681 5.637 ( -1.713 3.229 0.000) 3.655 5.684 ( 5.532 0.125 -0.000) 5.534 5.755 ( 4.957 0.660 -0.000) 5.001 5.910 ( -7.778 3.433 0.000) 8.502 6.309 ( -2.264 -4.335 -0.000) 4.891 7.480 ( -8.245 -5.423 -0.000) 9.869 7.481 ( -0.864 -9.969 -0.000) 10.007 7.903 ( -8.733 7.964 0.000) 11.819 8.135 ( -10.819 8.276 0.000) 13.622 9.855 ( 4.884 17.707 0.000) 18.368 10.707 ( 5.400 0.360 -0.000) 5.412 12.296 ( -5.702 -1.126 0.000) 5.812 13.117 ( 4.713 -12.263 -0.000) 13.138 14.547 ( -1.398 7.047 0.000) 7.185 14.725 ( 2.116 -15.550 -0.000) 15.694 15.060 ( 6.030 1.773 -0.000) 6.285 15.315 ( -0.438 -20.583 -0.000) 20.587 15.724 ( 6.488 -4.657 -0.000) 7.987 15.746 ( 4.872 13.752 0.000) 14.589 16.518 ( -1.271 18.369 0.000) 18.413 16.886 ( -1.883 5.022 0.000) 5.363 ======================= Grid point 139 (120/215) ======================= q-point: (-0.45 -0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -15.094 -17.778 -11.634) 26.062 3.068 ( -18.838 -23.189 -4.375) 30.195 3.521 ( -18.631 -2.707 9.296) 20.996 3.892 ( -20.524 -15.133 5.973) 26.191 4.222 ( -15.094 5.882 3.198) 16.513 4.555 ( -11.203 21.976 1.149) 24.694 4.727 ( -24.462 3.550 -2.748) 24.870 4.999 ( -6.512 6.527 -1.708) 9.377 5.578 ( -10.681 -0.632 -1.577) 10.816 5.759 ( -2.660 2.163 -1.509) 3.746 6.191 ( -17.041 -6.290 -5.050) 18.854 6.356 ( -21.240 -6.888 3.462) 22.596 6.654 ( 3.800 1.489 0.782) 4.156 6.713 ( 5.467 -4.140 3.013) 7.491 7.125 ( -5.277 10.843 -0.681) 12.078 10.750 ( 4.765 -22.093 0.830) 22.617 11.009 ( -18.437 -1.558 -0.366) 18.506 12.209 ( 21.442 -0.761 0.356) 21.459 13.280 ( 0.284 19.305 -1.744) 19.386 14.151 ( -8.848 5.771 -0.115) 10.564 14.497 ( -7.708 -17.911 -0.093) 19.500 15.763 ( 6.049 -1.626 -0.286) 6.270 15.969 ( -0.793 15.570 -0.087) 15.590 16.272 ( 0.562 -6.140 -0.299) 6.173 16.545 ( 18.055 3.016 2.678) 18.500 16.712 ( 11.253 4.796 -0.141) 12.233 16.832 ( 2.499 2.946 -0.493) 3.895 ======================= Grid point 145 (121/215) ======================= q-point: (-0.57 0.32 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.835 ( -0.053 2.165 0.343) 2.193 4.265 ( 9.813 -11.551 -0.118) 15.157 4.560 ( 5.075 3.572 0.287) 6.213 5.249 ( 10.415 0.900 -0.161) 10.455 5.407 ( 4.446 -3.327 -2.107) 5.940 5.500 ( 2.623 0.516 -0.377) 2.699 5.563 ( 1.253 0.187 2.528) 2.828 5.665 ( 0.574 1.268 1.685) 2.185 5.807 ( 0.903 1.462 -0.856) 1.920 5.852 ( 3.231 0.236 -1.603) 3.614 6.380 ( 5.431 -1.588 0.293) 5.666 7.604 ( 6.030 -5.862 0.994) 8.468 7.645 ( 4.053 -4.789 -0.356) 6.284 7.735 ( 5.616 6.308 -0.807) 8.485 7.987 ( 8.506 5.529 0.270) 10.149 9.597 ( -7.623 7.395 0.039) 10.621 10.715 ( -5.606 0.270 0.143) 5.615 12.309 ( 5.860 -0.370 -0.017) 5.871 13.299 ( -1.117 -5.929 -0.149) 6.035 14.448 ( 1.338 2.315 -0.026) 2.674 15.013 ( -5.064 -5.936 -0.060) 7.803 15.054 ( -6.471 -7.866 -0.096) 10.186 15.455 ( -1.145 13.469 0.067) 13.518 15.707 ( 0.332 -17.152 -0.089) 17.155 15.808 ( -7.196 -2.448 0.168) 7.603 16.137 ( 0.750 18.601 0.083) 18.616 16.813 ( 1.733 2.091 0.028) 2.716 ======================= Grid point 146 (122/215) ======================= q-point: ( 0.43 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( -1.286 -3.257 -0.000) 3.501 3.809 ( -15.176 -11.780 -0.000) 19.211 4.003 ( -15.576 6.596 0.000) 16.915 4.695 ( -13.996 -7.022 0.000) 15.658 4.982 ( -20.816 -5.604 0.000) 21.557 5.043 ( -20.236 9.999 0.000) 22.571 5.262 ( -11.261 0.988 0.000) 11.304 5.309 ( -8.382 0.412 0.000) 8.392 5.778 ( -1.189 0.939 0.000) 1.515 5.961 ( -0.416 9.160 0.000) 9.169 6.352 ( 4.089 1.874 -0.000) 4.498 6.907 ( -18.086 -7.983 0.000) 19.769 7.217 ( -20.468 1.173 0.000) 20.502 7.328 ( -16.098 -2.145 0.000) 16.240 7.419 ( -12.573 0.816 0.000) 12.599 10.271 ( 22.741 0.288 -0.000) 22.742 11.272 ( 20.989 -0.500 -0.000) 20.995 11.823 ( -17.164 -0.052 0.000) 17.164 13.269 ( -5.443 2.133 0.000) 5.846 14.351 ( -3.880 1.590 0.000) 4.193 15.107 ( -3.410 -17.109 -0.000) 17.445 15.581 ( 12.518 3.162 -0.000) 12.911 15.636 ( 12.313 13.867 0.000) 18.544 15.758 ( 2.330 -15.665 -0.000) 15.837 16.139 ( 4.970 15.902 0.000) 16.661 16.190 ( 8.303 -3.144 -0.000) 8.879 16.733 ( -0.857 1.910 0.000) 2.094 ======================= Grid point 147 (123/215) ======================= q-point: (-0.57 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -12.071 10.479 -3.480) 16.359 2.502 ( -22.637 -3.347 -0.737) 22.895 3.043 ( -3.435 -7.324 -2.264) 8.401 3.325 ( -19.917 -4.277 1.052) 20.398 3.739 ( 1.593 -19.141 5.167) 19.890 4.159 ( 2.916 6.930 -3.877) 8.459 4.313 ( -1.648 1.639 4.237) 4.832 4.602 ( -4.785 8.879 -2.458) 10.382 5.292 ( -6.488 2.371 -0.347) 6.916 5.496 ( -5.035 1.370 -0.599) 5.252 5.787 ( -8.704 -22.724 -1.063) 24.358 6.088 ( -3.032 -5.187 3.353) 6.880 6.420 ( -3.478 21.029 -0.819) 21.330 6.808 ( 0.955 1.111 1.041) 1.797 7.019 ( 3.492 1.060 -0.930) 3.766 10.406 ( -8.132 1.283 -0.632) 8.257 11.603 ( 4.416 -33.433 1.431) 33.754 12.699 ( -1.050 28.346 -1.744) 28.419 12.888 ( 8.174 0.236 0.528) 8.195 13.728 ( -5.831 2.048 0.007) 6.180 14.568 ( -4.556 -13.536 0.041) 14.282 15.434 ( -3.523 13.928 -0.040) 14.366 15.767 ( 0.206 4.703 -0.243) 4.714 16.264 ( -2.956 -3.098 0.007) 4.282 16.821 ( 1.195 0.357 0.217) 1.266 17.216 ( 8.327 -0.401 -0.028) 8.337 17.291 ( 9.962 -2.114 0.271) 10.187 ======================= Grid point 148 (124/215) ======================= q-point: (-0.13 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 22.714 0.000 -0.000) 22.714 2.684 ( 39.254 0.000 -0.000) 39.254 3.956 ( 17.512 0.000 -0.000) 17.512 4.186 ( 31.209 0.000 -0.000) 31.209 4.741 ( 18.586 0.000 -0.000) 18.586 5.114 ( 5.124 0.000 -0.000) 5.124 5.166 ( 2.986 0.000 -0.000) 2.986 5.315 ( 4.324 0.000 -0.000) 4.324 5.771 ( 2.727 0.000 -0.000) 2.727 6.103 ( 29.990 0.000 -0.000) 29.990 6.433 ( 12.963 0.000 -0.000) 12.963 6.691 ( -12.074 -0.000 0.000) 12.074 6.758 ( 16.798 0.000 -0.000) 16.798 6.907 ( 22.946 0.000 -0.000) 22.946 6.947 ( -7.929 -0.000 0.000) 7.929 10.267 ( 17.069 0.000 -0.000) 17.069 11.242 ( 22.517 0.000 -0.000) 22.517 11.858 ( -20.547 -0.000 0.000) 20.547 13.471 ( -17.690 -0.000 0.000) 17.690 14.017 ( 5.832 0.000 -0.000) 5.832 14.781 ( 9.156 0.000 -0.000) 9.156 15.180 ( -22.495 -0.000 0.000) 22.495 15.779 ( -16.358 -0.000 0.000) 16.358 15.781 ( -2.275 -0.000 0.000) 2.275 16.930 ( -1.019 -0.000 0.000) 1.019 17.017 ( 1.662 0.000 -0.000) 1.662 17.276 ( -14.790 -0.000 0.000) 14.790 ======================= Grid point 149 (125/215) ======================= q-point: (-0.13 0.37 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( -1.701 0.000 -0.054) 1.702 4.188 ( -2.131 0.000 0.158) 2.137 4.546 ( 2.003 -0.000 -0.049) 2.003 5.456 ( 1.728 -0.000 0.050) 1.729 5.558 ( 3.248 -0.000 -0.453) 3.279 5.590 ( 1.818 -0.000 0.002) 1.818 5.627 ( -5.876 0.000 -0.148) 5.878 5.656 ( 1.717 -0.000 0.107) 1.720 5.738 ( 2.355 -0.000 -0.026) 2.355 5.942 ( -1.401 0.000 0.512) 1.491 6.192 ( -0.283 0.000 0.018) 0.283 7.090 ( -1.614 0.000 -0.349) 1.651 7.327 ( 0.463 -0.000 0.226) 0.515 8.489 ( -3.637 0.000 0.142) 3.640 8.512 ( 2.682 -0.000 -0.140) 2.685 10.691 ( 0.116 -0.000 -0.000) 0.116 10.754 ( -1.025 0.000 0.001) 1.025 12.269 ( 0.062 -0.000 0.000) 0.062 12.630 ( 1.007 -0.000 0.001) 1.007 14.159 ( -0.002 0.000 -0.010) 0.010 14.236 ( -0.077 0.000 0.009) 0.078 15.118 ( 0.147 -0.000 -0.008) 0.147 15.145 ( -0.000 -0.000 0.008) 0.008 15.239 ( -0.617 0.000 -0.001) 0.617 16.094 ( 0.519 -0.000 0.004) 0.519 17.167 ( -0.331 0.000 -0.003) 0.331 17.194 ( -0.041 0.000 -0.001) 0.041 ======================= Grid point 150 (126/215) ======================= q-point: (-0.13 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -14.821 0.000 -10.527) 18.179 2.722 ( -38.281 0.000 -1.739) 38.320 3.765 ( -14.738 0.000 8.183) 16.857 3.980 ( -32.833 0.000 7.709) 33.726 4.804 ( -7.805 0.000 1.259) 7.906 5.022 ( -18.018 0.000 -2.135) 18.144 5.364 ( -3.396 0.000 -10.354) 10.896 5.440 ( -11.411 0.000 -3.452) 11.921 5.863 ( -18.010 0.000 4.688) 18.610 6.098 ( -12.324 0.000 -6.328) 13.854 6.414 ( 6.429 -0.000 10.247) 12.097 6.475 ( -10.356 0.000 -1.008) 10.405 6.655 ( -17.414 0.000 3.297) 17.723 6.944 ( -19.354 0.000 -0.475) 19.360 7.102 ( 11.831 -0.000 -4.175) 12.546 10.243 ( -17.744 0.000 0.958) 17.770 11.277 ( -21.691 0.000 -1.389) 21.735 11.801 ( 21.275 -0.000 2.296) 21.399 13.532 ( 17.371 -0.000 -2.454) 17.544 14.018 ( -5.779 0.000 -0.063) 5.779 14.779 ( -9.181 0.000 0.069) 9.181 15.184 ( 22.565 -0.000 -0.148) 22.565 15.780 ( 16.209 -0.000 -0.053) 16.209 15.824 ( 4.481 -0.000 -1.868) 4.855 16.938 ( 1.492 -0.000 -0.354) 1.534 17.009 ( -1.700 0.000 0.324) 1.731 17.144 ( 9.339 -0.000 5.508) 10.842 ======================= Grid point 151 (127/215) ======================= q-point: (-0.13 -0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.258 ( 0.000 -0.000 -13.860) 13.860 0.402 ( 0.000 -0.000 -21.078) 21.078 0.802 ( 0.000 -0.000 -41.352) 41.352 2.230 ( -0.000 0.000 5.507) 5.507 2.644 ( -0.000 0.000 11.908) 11.908 4.877 ( 0.000 -0.000 -11.654) 11.654 4.953 ( 0.000 -0.000 -0.102) 0.102 5.212 ( -0.000 0.000 8.196) 8.196 5.315 ( -0.000 0.000 13.775) 13.775 5.450 ( -0.000 0.000 0.044) 0.044 5.519 ( 0.000 -0.000 -0.599) 0.599 6.147 ( 0.000 -0.000 -12.818) 12.818 7.006 ( -0.000 0.000 16.013) 16.013 7.508 ( 0.000 -0.000 -9.731) 9.731 7.873 ( -0.000 0.000 2.331) 2.331 9.105 ( -0.000 0.000 1.747) 1.747 10.115 ( 0.000 -0.000 -2.800) 2.800 12.917 ( 0.000 -0.000 -2.500) 2.500 13.497 ( -0.000 0.000 0.010) 0.010 14.155 ( -0.000 0.000 0.002) 0.002 14.653 ( -0.000 0.000 1.262) 1.262 15.547 ( -0.000 0.000 0.236) 0.236 16.438 ( 0.000 -0.000 -0.158) 0.158 16.452 ( 0.000 -0.000 -0.027) 0.027 16.730 ( -0.000 0.000 0.112) 0.112 16.876 ( 0.000 -0.000 -0.800) 0.800 17.008 ( -0.000 0.000 0.276) 0.276 ======================= Grid point 152 (128/215) ======================= q-point: ( 0.32 0.18 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 15.635 18.530 4.758) 24.708 3.817 ( 4.583 3.138 0.653) 5.593 4.102 ( 14.568 -13.703 -5.458) 20.731 4.740 ( 12.383 3.522 -1.537) 12.965 4.973 ( 21.252 1.167 -0.123) 21.284 5.176 ( 13.896 -0.598 4.867) 14.736 5.219 ( 17.570 -4.899 -4.681) 18.831 5.351 ( 7.921 -0.850 -3.734) 8.798 5.540 ( -0.426 -4.408 4.105) 6.038 6.138 ( 7.424 0.818 3.723) 8.345 6.214 ( -7.502 1.404 -0.141) 7.633 6.947 ( 17.611 1.027 -2.600) 17.831 7.269 ( 17.520 -1.349 -0.493) 17.578 7.317 ( 14.478 1.871 0.236) 14.600 7.391 ( 14.808 0.684 0.662) 14.838 10.280 ( -22.943 -1.111 -0.385) 22.973 11.284 ( -21.408 -0.316 -0.357) 21.413 11.816 ( 17.651 0.343 0.135) 17.655 13.250 ( 5.798 -0.334 0.804) 5.863 14.351 ( 3.856 -1.564 -0.006) 4.161 15.100 ( 3.272 17.407 0.275) 17.714 15.569 ( -11.552 -3.780 0.476) 12.164 15.655 ( -13.336 -13.499 -0.814) 18.993 15.754 ( -2.530 15.591 0.193) 15.796 16.142 ( -4.953 -15.849 -0.129) 16.605 16.201 ( -8.197 2.068 -0.449) 8.466 16.732 ( 0.988 -1.854 0.027) 2.101 ======================= Grid point 154 (129/215) ======================= q-point: ( 0.32 -0.32 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -24.438 24.158 0.000) 34.363 3.408 ( -18.454 26.283 0.000) 32.114 3.838 ( -10.463 -22.948 -0.000) 25.221 4.122 ( -17.317 -24.358 -0.000) 29.886 4.241 ( -13.214 7.181 0.000) 15.039 4.482 ( -6.729 -9.097 -0.000) 11.315 4.575 ( -32.849 -1.532 0.000) 32.885 4.712 ( -8.118 8.082 0.000) 11.455 5.545 ( -3.884 -1.237 0.000) 4.076 5.605 ( -3.520 6.235 0.000) 7.160 6.276 ( -6.302 15.178 0.000) 16.434 6.539 ( -15.081 -1.826 0.000) 15.191 6.668 ( -14.465 -4.286 0.000) 15.087 6.867 ( 0.964 -3.898 -0.000) 4.015 6.876 ( -3.361 -4.332 -0.000) 5.483 10.981 ( -19.736 1.708 0.000) 19.810 11.204 ( 18.525 9.835 -0.000) 20.974 12.242 ( 21.350 -0.413 -0.000) 21.354 12.861 ( -9.177 -8.296 -0.000) 12.371 14.077 ( -9.137 -1.630 0.000) 9.281 14.849 ( -7.641 14.271 0.000) 16.188 15.619 ( -3.479 -14.453 -0.000) 14.866 15.771 ( -0.680 0.557 0.000) 0.879 16.377 ( -0.475 2.386 0.000) 2.433 16.584 ( 22.168 -2.625 -0.000) 22.323 16.636 ( 16.438 -1.564 -0.000) 16.512 16.768 ( 3.026 -0.626 -0.000) 3.090 ======================= Grid point 156 (130/215) ======================= q-point: (-0.24 0.24 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 18.717 -12.230 -0.000) 22.359 4.068 ( 14.069 7.406 -0.000) 15.899 4.496 ( 20.907 -12.561 -0.000) 24.390 4.686 ( -6.794 0.119 0.000) 6.795 5.316 ( 6.128 2.084 -0.000) 6.472 5.415 ( 15.997 0.576 -0.000) 16.007 5.476 ( 6.807 -1.040 0.000) 6.886 5.476 ( 7.727 -1.318 0.000) 7.838 5.910 ( 1.944 -1.781 -0.000) 2.637 6.135 ( -7.253 7.052 0.000) 10.117 6.406 ( -9.756 6.205 0.000) 11.563 7.057 ( 6.540 -5.100 -0.000) 8.294 7.102 ( 11.327 -5.852 -0.000) 12.749 7.793 ( 28.155 -0.501 -0.000) 28.160 7.969 ( 23.323 4.272 -0.000) 23.711 10.592 ( 1.135 9.369 0.000) 9.437 11.056 ( -14.965 2.408 0.000) 15.157 12.034 ( 12.836 -1.706 -0.000) 12.949 12.862 ( -11.496 -3.534 0.000) 12.027 14.220 ( 0.889 -7.123 -0.000) 7.178 14.586 ( -8.692 -12.410 -0.000) 15.151 14.922 ( 2.886 10.597 0.000) 10.983 15.253 ( -8.460 0.497 0.000) 8.475 15.630 ( -8.467 -9.109 -0.000) 12.436 16.376 ( -14.739 6.043 0.000) 15.930 17.045 ( 2.743 7.577 0.000) 8.058 17.083 ( 2.220 4.582 0.000) 5.091 ======================= Grid point 157 (131/215) ======================= q-point: (-0.24 -0.51 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( -12.388 -13.229 -0.306) 18.126 3.936 ( -9.534 4.972 2.076) 10.951 4.440 ( -29.472 -10.823 -0.464) 31.400 4.698 ( 0.145 2.511 1.651) 3.009 5.125 ( -18.993 -2.122 2.205) 19.238 5.592 ( -5.113 2.346 -4.212) 7.028 5.636 ( -1.575 2.310 -4.339) 5.162 5.732 ( -7.060 1.813 -3.167) 7.948 5.926 ( 5.000 -2.345 0.678) 5.564 5.977 ( 4.821 3.437 3.757) 7.012 6.431 ( 9.922 7.625 -0.182) 12.515 7.027 ( -2.732 -10.012 0.410) 10.386 7.088 ( -14.504 -2.016 0.309) 14.647 7.662 ( -30.570 -0.458 2.103) 30.646 7.999 ( -24.398 2.953 -0.286) 24.577 10.585 ( -1.612 9.841 0.116) 9.973 10.974 ( 13.640 1.641 1.387) 13.808 12.046 ( -12.228 -1.553 -0.225) 12.328 12.946 ( 13.012 -3.250 -1.389) 13.483 14.224 ( -0.862 -7.436 -0.057) 7.486 14.586 ( 8.816 -12.643 -0.008) 15.413 14.928 ( -2.580 10.261 -0.108) 10.581 15.261 ( 8.450 0.574 -0.156) 8.471 15.587 ( 8.552 -8.427 0.741) 12.029 16.391 ( 13.657 6.472 -0.230) 15.115 17.040 ( -2.878 7.478 0.060) 8.013 17.057 ( -2.741 4.140 0.441) 4.985 ======================= Grid point 158 (132/215) ======================= q-point: (-0.24 -0.26 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -21.392 -17.584 -9.360) 29.230 1.623 ( -13.668 -10.217 -19.835) 26.165 2.711 ( -37.672 -13.709 0.655) 40.094 2.880 ( -23.608 -8.042 11.699) 27.548 3.434 ( -40.085 -16.919 -1.242) 43.527 4.745 ( -1.305 10.462 9.208) 13.998 4.999 ( -3.813 6.135 3.025) 7.831 5.102 ( -7.345 7.254 -0.107) 10.324 5.321 ( -4.195 -5.150 -4.022) 7.766 5.772 ( -11.054 2.003 -2.948) 11.614 5.851 ( -14.949 4.048 1.173) 15.532 6.210 ( -1.733 10.116 -2.285) 10.515 6.683 ( 5.218 -3.763 7.328) 9.751 6.830 ( 8.727 3.148 -7.244) 11.771 7.458 ( 6.156 4.627 -5.298) 9.348 9.661 ( -14.222 -19.095 1.945) 23.888 10.516 ( -14.267 -3.029 -2.996) 14.890 12.590 ( 15.529 0.267 0.097) 15.532 13.778 ( -8.135 -7.503 -0.059) 11.067 14.052 ( 10.484 10.255 -1.929) 14.791 14.297 ( -8.780 7.214 -0.635) 11.382 15.810 ( -2.160 -2.786 -1.146) 3.707 16.103 ( 12.739 -2.063 -2.289) 13.106 16.414 ( 9.786 2.869 0.047) 10.198 16.903 ( 0.364 0.382 -0.998) 1.129 16.970 ( 1.920 1.423 0.385) 2.421 17.218 ( -2.451 10.381 14.447) 17.958 ======================= Grid point 160 (133/215) ======================= q-point: ( 0.20 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.888 ( 1.586 -4.166 -1.077) 4.586 3.915 ( 11.212 21.138 -0.287) 23.929 4.603 ( 0.964 -1.244 -0.078) 1.576 5.248 ( 14.159 1.107 -0.490) 14.210 5.414 ( 5.194 1.281 2.827) 6.051 5.517 ( 0.596 -0.732 1.389) 1.679 5.545 ( 2.233 -0.654 -0.744) 2.443 5.681 ( 0.070 -2.587 -0.728) 2.688 5.839 ( -4.788 -1.221 -1.034) 5.048 5.902 ( 6.954 -2.790 0.690) 7.525 6.312 ( 2.873 4.057 -0.274) 4.979 7.439 ( 3.622 8.704 0.429) 9.437 7.524 ( 5.073 6.453 -0.691) 8.237 7.916 ( 8.111 -9.368 -0.349) 12.397 8.123 ( 11.179 -7.207 0.388) 13.306 9.863 ( -5.117 -17.765 -0.290) 18.489 10.718 ( -5.980 -0.775 -0.468) 6.049 12.295 ( 5.798 1.152 0.042) 5.911 13.103 ( -3.982 12.672 0.585) 13.296 14.544 ( 1.498 -6.951 0.097) 7.111 14.718 ( -1.872 15.512 0.273) 15.627 15.059 ( -6.021 -1.721 0.049) 6.262 15.313 ( 0.499 20.510 0.093) 20.516 15.732 ( -5.846 -2.263 -0.366) 6.279 15.751 ( -6.093 -6.934 -0.183) 9.232 16.520 ( 1.173 -18.334 -0.099) 18.372 16.889 ( 1.783 -5.127 -0.121) 5.429 ======================= Grid point 162 (134/215) ======================= q-point: ( 0.20 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -18.533 23.564 0.000) 29.979 1.969 ( -19.882 23.094 0.000) 30.473 3.192 ( -19.224 11.727 0.000) 22.518 3.586 ( -7.833 35.364 0.000) 36.221 3.672 ( -5.115 16.294 0.000) 17.078 4.087 ( -3.615 -27.719 -0.000) 27.954 4.481 ( -1.409 -10.804 -0.000) 10.895 4.570 ( -2.952 -10.612 -0.000) 11.015 5.364 ( -6.932 -5.336 -0.000) 8.748 5.395 ( -1.245 1.968 0.000) 2.329 5.508 ( -8.389 4.870 0.000) 9.700 6.252 ( -2.344 7.183 0.000) 7.556 6.535 ( 0.295 -4.089 -0.000) 4.100 6.962 ( 0.656 -4.295 -0.000) 4.345 7.078 ( 2.012 -10.247 -0.000) 10.442 10.315 ( -8.436 2.670 0.000) 8.848 10.916 ( -0.468 39.965 0.000) 39.968 12.859 ( 8.095 1.411 -0.000) 8.217 13.267 ( 2.573 -29.913 -0.000) 30.024 13.811 ( -5.612 -5.873 -0.000) 8.123 14.214 ( -4.517 18.493 0.000) 19.037 15.807 ( -4.701 -19.932 -0.000) 20.479 15.895 ( 1.874 -9.017 -0.000) 9.210 16.146 ( -3.494 7.922 0.000) 8.659 16.832 ( 0.274 -1.006 -0.000) 1.043 17.145 ( 7.247 3.078 -0.000) 7.873 17.373 ( 10.208 -1.697 -0.000) 10.348 ======================= Grid point 164 (135/215) ======================= q-point: (-0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( -2.020 -22.359 -0.000) 22.450 4.019 ( -2.201 6.191 0.000) 6.571 4.576 ( 2.031 -1.244 -0.000) 2.381 5.429 ( 0.174 1.791 0.000) 1.800 5.537 ( 9.040 1.666 -0.000) 9.192 5.560 ( 4.624 0.119 -0.000) 4.625 5.604 ( -7.570 0.832 0.000) 7.615 5.654 ( 3.715 0.452 -0.000) 3.743 5.703 ( -6.466 0.534 0.000) 6.488 6.095 ( -0.016 4.015 0.000) 4.015 6.181 ( -0.582 -8.782 -0.000) 8.801 7.288 ( -0.144 -8.503 -0.000) 8.504 7.453 ( -0.543 -5.498 -0.000) 5.525 8.227 ( -2.071 10.918 0.000) 11.112 8.391 ( 1.741 6.074 0.000) 6.318 10.242 ( -0.370 20.552 0.000) 20.555 10.686 ( -0.950 1.891 0.000) 2.116 12.321 ( 0.044 -1.805 -0.000) 1.806 12.773 ( 1.065 -11.836 -0.000) 11.884 14.418 ( 0.250 -11.834 -0.000) 11.837 14.736 ( 0.186 10.007 0.000) 10.009 14.873 ( -0.020 -22.537 -0.000) 22.537 15.054 ( 0.152 2.715 0.000) 2.719 15.557 ( -0.957 -6.384 -0.000) 6.455 15.908 ( 0.383 8.776 0.000) 8.785 16.877 ( -0.090 14.588 0.000) 14.588 17.025 ( -0.287 5.814 0.000) 5.821 ======================= Grid point 165 (136/215) ======================= q-point: (-0.36 -0.39 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -12.954 -17.032 -8.333) 22.964 3.125 ( -26.030 -14.506 -1.959) 29.863 3.895 ( -22.053 -5.354 6.265) 23.542 3.939 ( -20.224 -11.623 6.313) 24.165 4.625 ( -8.386 6.647 2.824) 11.067 5.225 ( -16.555 4.667 -4.914) 17.889 5.226 ( -8.943 3.786 -1.990) 9.914 5.320 ( -13.648 13.043 0.047) 18.878 5.889 ( -9.377 4.512 -0.145) 10.408 5.925 ( -19.050 1.404 -1.395) 19.153 6.263 ( 3.040 -3.012 -8.325) 9.360 6.546 ( 1.587 -3.417 5.866) 6.972 6.686 ( -20.709 -4.300 2.003) 21.245 6.821 ( -19.463 1.791 3.964) 19.944 7.282 ( 0.158 -0.690 -2.150) 2.263 10.402 ( -2.565 -7.948 0.892) 8.399 11.377 ( -20.404 -2.451 -0.830) 20.568 11.745 ( 22.679 0.410 1.146) 22.712 13.459 ( 8.659 6.323 -1.861) 10.882 14.313 ( -5.963 -13.644 -0.153) 14.891 14.484 ( -7.281 10.192 -0.355) 12.530 15.398 ( 15.890 -9.252 -0.256) 18.389 15.844 ( 16.690 -2.622 -0.236) 16.896 16.068 ( 5.041 -7.817 0.245) 9.305 16.606 ( 6.673 18.482 2.389) 19.794 16.772 ( 0.957 10.292 0.145) 10.337 16.876 ( 0.081 3.577 -0.269) 3.588 ======================= Grid point 166 (137/215) ======================= q-point: (-0.36 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.000 -22.766 -11.321) 25.425 1.506 ( 0.000 -6.772 -30.048) 30.802 2.465 ( -0.000 -46.649 1.101) 46.662 2.531 ( -0.000 -17.463 7.906) 19.169 3.157 ( -0.000 -25.840 4.133) 26.169 4.351 ( 0.000 23.270 7.463) 24.438 4.729 ( 0.000 11.025 1.757) 11.164 4.827 ( 0.000 6.954 -0.982) 7.023 5.356 ( -0.000 -4.137 1.698) 4.472 5.366 ( 0.000 3.536 -0.030) 3.536 5.464 ( 0.000 2.145 -2.119) 3.015 5.945 ( 0.000 7.835 2.368) 8.185 6.866 ( 0.000 5.511 -7.915) 9.645 6.954 ( -0.000 0.262 2.107) 2.123 7.385 ( 0.000 13.454 -1.718) 13.564 9.997 ( -0.000 -36.189 2.019) 36.246 10.295 ( 0.000 -3.629 -3.693) 5.177 12.926 ( 0.000 -0.273 -0.712) 0.763 13.816 ( -0.000 -14.722 0.057) 14.723 13.900 ( 0.000 8.471 0.050) 8.471 13.902 ( 0.000 24.519 -1.822) 24.587 15.881 ( -0.000 -11.944 0.216) 11.946 16.114 ( 0.000 15.135 -0.208) 15.136 16.198 ( 0.000 12.397 -1.537) 12.492 16.855 ( 0.000 0.680 0.039) 0.681 17.141 ( -0.000 -5.427 -0.371) 5.439 17.326 ( -0.000 -6.043 6.500) 8.876 ======================= Grid point 172 (138/215) ======================= q-point: (-0.48 -0.52 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.666 ( -13.002 -22.816 -0.000) 26.260 3.806 ( -3.689 0.519 0.000) 3.725 4.476 ( -9.033 6.820 0.000) 11.318 4.890 ( -18.987 -6.954 0.000) 20.221 5.229 ( -14.108 -4.057 0.000) 14.680 5.448 ( -5.215 3.103 0.000) 6.068 5.550 ( -7.438 6.830 0.000) 10.098 5.585 ( -11.321 4.156 0.000) 12.060 5.807 ( 0.359 1.436 0.000) 1.481 5.945 ( 8.783 1.832 -0.000) 8.972 6.296 ( 1.702 -0.402 -0.000) 1.749 7.210 ( -18.558 -4.571 0.000) 19.112 7.438 ( -3.713 -7.836 -0.000) 8.671 7.636 ( -16.573 1.220 0.000) 16.618 7.804 ( -20.727 5.961 0.000) 21.567 10.028 ( 11.773 12.473 0.000) 17.152 10.904 ( 14.038 0.510 -0.000) 14.047 12.115 ( -11.964 -1.042 0.000) 12.010 13.227 ( 5.172 -7.163 -0.000) 8.835 14.503 ( -2.841 6.943 0.000) 7.502 14.757 ( 0.503 -17.019 -0.000) 17.027 15.247 ( 12.205 -0.131 -0.000) 12.205 15.328 ( 2.246 -19.269 -0.000) 19.399 15.882 ( 7.863 17.273 0.000) 18.978 15.896 ( 9.491 -5.864 -0.000) 11.156 16.489 ( -1.325 17.763 0.000) 17.812 16.839 ( -2.404 4.827 0.000) 5.392 ======================= Grid point 174 (139/215) ======================= q-point: (-0.48 -0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -13.588 -13.139 -14.789) 23.999 2.676 ( -19.761 -22.596 -5.970) 30.606 3.167 ( -15.978 -8.827 10.342) 20.980 3.460 ( -17.832 -19.485 5.986) 27.083 3.844 ( -22.351 10.557 3.347) 24.944 4.309 ( -11.667 -0.102 -4.564) 12.528 4.453 ( -2.033 13.424 2.443) 13.795 4.873 ( -5.913 6.173 -1.403) 8.662 5.430 ( -4.763 -0.465 -0.091) 4.786 5.658 ( -7.637 2.180 -2.855) 8.440 5.817 ( -18.344 -5.241 -1.643) 19.149 6.009 ( -10.789 -7.831 5.859) 14.562 6.756 ( 5.020 3.334 -1.355) 6.177 6.830 ( 4.827 -1.552 -1.452) 5.274 7.047 ( -1.901 15.010 1.802) 15.237 10.644 ( -13.619 -2.325 -2.067) 13.969 10.827 ( 0.055 -31.768 2.267) 31.848 12.599 ( 16.198 -1.041 0.090) 16.231 13.304 ( 1.812 26.328 -1.487) 26.432 13.966 ( -8.835 5.872 -0.077) 10.608 14.338 ( -7.410 -18.168 -0.008) 19.621 15.853 ( 2.978 5.264 -0.441) 6.064 15.907 ( -4.173 18.645 0.379) 19.110 16.241 ( -3.278 -4.980 -0.518) 5.985 16.798 ( 4.025 1.377 1.315) 4.453 16.967 ( 11.655 -1.300 -0.488) 11.738 16.982 ( 14.431 -0.757 1.045) 14.488 ======================= Grid point 181 (140/215) ======================= q-point: ( 0.40 -0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( -19.795 0.428 0.000) 19.800 3.698 ( -13.938 -3.913 0.000) 14.476 3.747 ( -3.645 -9.501 -0.000) 10.177 4.430 ( -11.456 -6.844 -0.000) 13.345 4.535 ( -28.485 8.982 0.000) 29.868 4.568 ( -18.585 -4.767 0.000) 19.186 5.040 ( -9.836 4.990 0.000) 11.029 5.072 ( -16.645 0.394 0.000) 16.650 5.756 ( -1.139 2.850 0.000) 3.069 5.806 ( -12.794 9.164 0.000) 15.737 6.443 ( 4.115 3.893 0.000) 5.665 6.709 ( -0.865 -8.250 -0.000) 8.295 6.800 ( -18.988 -4.459 0.000) 19.505 6.951 ( -20.387 -5.969 0.000) 21.243 7.153 ( -13.207 6.437 0.000) 14.692 10.739 ( 22.092 -5.747 -0.000) 22.827 11.413 ( -19.066 0.612 0.000) 19.076 11.760 ( 22.669 -1.055 -0.000) 22.693 13.115 ( -9.021 7.161 0.000) 11.518 14.243 ( -6.795 1.473 0.000) 6.953 15.002 ( -6.451 -14.925 -0.000) 16.259 15.657 ( 0.208 14.688 0.000) 14.689 15.786 ( 0.217 -6.247 -0.000) 6.251 16.064 ( 23.334 -0.543 -0.000) 23.340 16.320 ( 10.043 2.409 -0.000) 10.328 16.330 ( 7.623 1.696 -0.000) 7.809 16.738 ( 1.285 1.997 0.000) 2.375 ======================= Grid point 182 (141/215) ======================= q-point: (-0.60 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 0.000 13.917 -2.922) 14.220 2.245 ( 0.000 -3.415 -2.047) 3.981 3.046 ( -0.000 -9.025 1.427) 9.137 3.071 ( 0.000 -3.136 -2.257) 3.864 3.762 ( -0.000 -23.265 5.486) 23.903 4.238 ( 0.000 6.293 -2.016) 6.608 4.258 ( 0.000 4.352 0.869) 4.438 4.547 ( 0.000 9.053 -1.723) 9.215 5.212 ( 0.000 2.226 -0.261) 2.242 5.441 ( 0.000 1.268 -0.393) 1.327 5.703 ( -0.000 -24.622 -0.767) 24.634 6.059 ( -0.000 -3.915 3.286) 5.111 6.384 ( 0.000 20.895 -0.493) 20.901 6.819 ( -0.000 1.593 1.039) 1.902 7.056 ( 0.000 1.559 -1.286) 2.021 10.321 ( 0.000 1.478 -0.665) 1.621 11.646 ( -0.000 -36.810 1.444) 36.838 12.689 ( 0.000 31.746 -1.468) 31.780 12.975 ( -0.000 -0.352 0.270) 0.444 13.665 ( 0.000 2.053 0.013) 2.054 14.519 ( -0.000 -13.474 0.054) 13.474 15.396 ( 0.000 13.699 -0.077) 13.699 15.771 ( 0.000 5.361 -0.294) 5.369 16.231 ( -0.000 -3.382 0.032) 3.382 16.834 ( -0.000 0.259 0.160) 0.304 17.304 ( -0.000 -0.504 -0.081) 0.510 17.394 ( -0.000 -2.312 0.385) 2.344 ======================= Grid point 185 (142/215) ======================= q-point: (-0.16 -0.34 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -12.819 0.000 -17.431) 21.637 1.966 ( -35.099 0.000 -3.040) 35.230 3.321 ( -29.466 0.000 4.944) 29.878 3.337 ( -29.123 0.000 10.034) 30.803 4.182 ( -44.417 0.000 -4.984) 44.696 4.873 ( -1.951 -0.000 8.581) 8.800 5.204 ( -9.747 0.000 3.420) 10.329 5.302 ( -2.875 0.000 -12.805) 13.124 5.446 ( -16.292 0.000 6.500) 17.541 5.992 ( -6.371 0.000 -8.202) 10.386 6.224 ( -15.964 0.000 0.770) 15.982 6.387 ( -6.147 0.000 -2.244) 6.544 6.527 ( 4.688 -0.000 13.540) 14.328 6.742 ( -0.372 0.000 -5.099) 5.113 7.325 ( 9.898 -0.000 -5.455) 11.302 9.847 ( -20.082 0.000 1.464) 20.135 10.841 ( -20.094 0.000 -2.086) 20.202 12.227 ( 19.773 -0.000 1.382) 19.822 13.873 ( 15.562 -0.000 -2.173) 15.713 13.874 ( -8.112 0.000 -0.092) 8.113 14.576 ( -10.362 0.000 0.075) 10.363 15.651 ( 22.291 -0.000 -0.164) 22.291 15.860 ( -0.916 0.000 -3.783) 3.892 16.121 ( 16.479 -0.000 0.059) 16.480 16.926 ( -1.175 0.000 -0.549) 1.297 16.988 ( -0.432 0.000 0.372) 0.570 17.329 ( 6.511 -0.000 11.119) 12.885 ======================= Grid point 187 (143/215) ======================= q-point: (-0.16 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 21.530 0.000 -0.000) 21.530 3.492 ( 39.229 0.000 -0.000) 39.229 4.175 ( 5.597 0.000 -0.000) 5.597 4.824 ( -4.717 -0.000 0.000) 4.717 4.838 ( 31.486 0.000 -0.000) 31.486 5.220 ( 5.333 0.000 -0.000) 5.333 5.332 ( 8.429 0.000 -0.000) 8.429 5.401 ( 4.014 0.000 -0.000) 4.014 5.829 ( 2.953 0.000 -0.000) 2.953 6.442 ( -11.969 -0.000 0.000) 11.969 6.693 ( 22.875 0.000 -0.000) 22.875 6.735 ( 15.718 0.000 -0.000) 15.718 6.752 ( -11.249 -0.000 0.000) 11.249 7.179 ( 26.267 0.000 -0.000) 26.267 7.448 ( 28.592 0.000 -0.000) 28.592 10.555 ( 10.538 0.000 -0.000) 10.538 11.441 ( -19.507 -0.000 0.000) 19.507 11.679 ( 19.398 0.000 -0.000) 19.398 13.118 ( -16.228 -0.000 0.000) 16.228 14.107 ( 3.018 0.000 -0.000) 3.018 14.752 ( -18.076 -0.000 0.000) 18.076 14.950 ( 6.630 0.000 -0.000) 6.630 15.474 ( -12.984 -0.000 0.000) 12.984 15.683 ( -7.101 -0.000 0.000) 7.101 16.765 ( -15.006 -0.000 0.000) 15.006 17.063 ( 2.790 0.000 -0.000) 2.790 17.112 ( -0.921 -0.000 0.000) 0.921 ======================= Grid point 188 (144/215) ======================= q-point: (-0.16 -0.59 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -9.625 0.000 0.908) 9.668 4.120 ( -4.313 0.000 1.334) 4.515 4.634 ( 5.355 -0.000 -0.451) 5.374 4.990 ( -31.169 0.000 -0.273) 31.170 5.425 ( -11.737 0.000 0.841) 11.767 5.631 ( 2.107 -0.000 -1.315) 2.483 5.633 ( 3.313 -0.000 -4.760) 5.800 5.780 ( 6.581 -0.000 -0.603) 6.609 5.886 ( -3.078 0.000 2.751) 4.128 6.067 ( -7.881 0.000 0.287) 7.886 6.146 ( 19.554 -0.000 0.045) 19.554 7.025 ( -4.757 0.000 0.905) 4.842 7.269 ( -6.194 0.000 -0.096) 6.195 8.226 ( -21.133 0.000 1.001) 21.156 8.419 ( -12.236 0.000 -0.148) 12.237 10.708 ( 0.878 -0.000 -0.066) 0.881 10.798 ( 5.604 -0.000 0.847) 5.668 12.212 ( -5.715 0.000 -0.072) 5.716 12.712 ( 7.040 -0.000 -0.815) 7.087 14.157 ( -0.216 0.000 -0.002) 0.216 14.282 ( 4.768 -0.000 0.055) 4.768 15.125 ( -1.974 0.000 0.000) 1.974 15.154 ( 3.455 -0.000 -0.111) 3.457 15.300 ( 6.321 -0.000 0.453) 6.337 16.203 ( 9.619 -0.000 -0.355) 9.625 17.146 ( -1.730 0.000 0.253) 1.749 17.173 ( -1.952 0.000 0.052) 1.953 ======================= Grid point 189 (145/215) ======================= q-point: ( 0.28 -0.28 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -23.287 25.521 0.000) 34.549 2.909 ( -28.258 19.829 0.000) 34.521 3.637 ( -9.508 -22.588 -0.000) 24.507 3.907 ( -3.358 -12.593 -0.000) 13.033 3.908 ( -29.302 1.718 0.000) 29.352 4.055 ( -5.879 8.769 0.000) 10.557 4.374 ( -3.908 -8.681 -0.000) 9.521 4.584 ( -5.606 6.260 0.000) 8.403 5.436 ( -6.880 -2.326 0.000) 7.262 5.531 ( -3.732 5.538 0.000) 6.678 6.014 ( -15.421 18.199 0.000) 23.854 6.378 ( -3.062 -0.950 0.000) 3.206 6.406 ( -9.981 -12.857 -0.000) 16.277 6.852 ( 0.205 -7.344 -0.000) 7.347 6.920 ( 3.205 0.626 -0.000) 3.265 10.615 ( -15.441 2.114 0.000) 15.585 11.515 ( 11.591 20.025 0.000) 23.137 12.629 ( 15.968 0.212 -0.000) 15.969 12.708 ( -5.398 -17.522 -0.000) 18.335 13.886 ( -9.051 -1.889 0.000) 9.246 14.694 ( -7.200 13.705 0.000) 15.481 15.527 ( -5.064 -14.497 -0.000) 15.356 15.759 ( -0.405 -2.269 -0.000) 2.304 16.334 ( -3.250 2.755 0.000) 4.261 16.787 ( 2.141 -1.097 -0.000) 2.406 16.960 ( 14.337 0.875 -0.000) 14.364 17.040 ( 18.155 -1.497 -0.000) 18.216 ======================= Grid point 191 (146/215) ======================= q-point: ( 0.28 0.22 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.812 ( 1.675 0.487 -0.369) 1.783 4.031 ( 13.676 15.441 2.345) 20.759 4.369 ( 11.266 -9.790 -2.752) 15.177 5.000 ( 12.754 1.661 -0.675) 12.880 5.318 ( 10.840 3.434 1.919) 11.532 5.448 ( 7.356 0.972 -1.141) 7.507 5.487 ( 7.097 -1.057 -1.407) 7.312 5.508 ( 8.853 -4.511 -0.903) 9.976 5.554 ( 7.688 -3.309 2.430) 8.715 6.043 ( -8.717 0.664 0.896) 8.788 6.255 ( 5.246 0.544 0.220) 5.279 7.335 ( 17.387 2.705 -1.504) 17.661 7.540 ( 7.896 3.780 0.989) 8.810 7.580 ( 11.506 -3.137 0.663) 11.944 7.717 ( 16.038 -2.371 -0.651) 16.225 9.854 ( -17.513 -4.921 -0.218) 18.193 10.911 ( -14.253 -0.307 -0.300) 14.259 12.125 ( 12.202 0.317 0.063) 12.206 13.316 ( 0.763 3.193 0.482) 3.318 14.411 ( 2.251 -1.995 0.022) 3.008 15.114 ( -2.458 18.234 0.354) 18.402 15.255 ( -13.496 0.671 -0.050) 13.513 15.510 ( -4.723 -18.808 -0.160) 19.392 15.713 ( -1.067 18.757 0.169) 18.788 15.989 ( -10.057 0.218 -0.332) 10.065 16.120 ( 0.077 -17.178 -0.224) 17.180 16.768 ( 2.284 -1.981 -0.039) 3.024 ======================= Grid point 193 (147/215) ======================= q-point: (-0.27 -0.23 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -13.415 -25.311 -10.250) 30.425 1.408 ( -9.873 -10.821 -23.468) 27.665 1.944 ( -31.831 -23.170 -11.843) 41.114 2.447 ( -19.361 -8.272 11.198) 23.847 2.806 ( -18.561 -22.825 7.612) 30.388 4.749 ( 1.803 13.440 9.389) 16.494 4.950 ( -2.202 7.694 3.251) 8.638 4.984 ( -3.465 5.548 2.775) 7.105 5.260 ( -1.807 -5.135 -5.826) 7.973 5.555 ( -10.546 2.563 0.309) 10.857 5.592 ( -8.121 2.538 -0.563) 8.527 6.198 ( -0.013 12.923 -3.853) 13.485 6.783 ( 3.822 -7.040 9.946) 12.771 7.071 ( 13.776 17.282 -13.687) 25.996 7.560 ( 3.586 6.347 -5.046) 8.866 9.426 ( -8.219 -23.524 2.154) 25.011 10.301 ( -6.610 -3.309 -3.656) 8.246 12.845 ( 9.007 0.959 -1.501) 9.181 13.636 ( -5.232 -7.845 0.004) 9.430 14.127 ( -4.823 7.458 0.110) 8.882 14.255 ( 6.792 14.168 -2.840) 15.966 15.719 ( -5.180 -6.530 -0.780) 8.372 16.317 ( 7.025 4.331 -1.232) 8.344 16.487 ( -3.927 11.751 0.754) 12.412 16.897 ( -1.917 1.342 -0.307) 2.360 17.014 ( 1.944 -2.150 0.759) 2.997 17.122 ( -3.830 -8.352 13.467) 16.303 ======================= Grid point 195 (148/215) ======================= q-point: (-0.27 0.27 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 10.327 -13.551 -0.000) 17.038 4.166 ( 0.070 5.456 0.000) 5.456 4.566 ( -3.876 -0.781 0.000) 3.954 5.042 ( 27.464 -5.731 -0.000) 28.055 5.443 ( 6.203 2.720 -0.000) 6.773 5.495 ( 2.283 -0.085 -0.000) 2.285 5.552 ( 3.966 -0.958 -0.000) 4.080 5.733 ( 1.176 0.547 -0.000) 1.297 5.920 ( -2.771 1.604 0.000) 3.202 6.081 ( 4.472 3.668 0.000) 5.784 6.146 ( -13.261 -3.046 0.000) 13.607 7.146 ( 1.991 -4.174 -0.000) 4.624 7.289 ( 6.520 -4.294 -0.000) 7.807 8.273 ( 17.509 1.651 -0.000) 17.587 8.334 ( 11.420 6.662 0.000) 13.221 10.590 ( -0.713 11.192 0.000) 11.215 10.821 ( -7.827 2.353 0.000) 8.173 12.225 ( 5.971 -1.535 -0.000) 6.165 12.678 ( -6.003 -2.955 0.000) 6.691 14.227 ( -0.004 -6.717 -0.000) 6.717 14.470 ( -3.070 -16.349 -0.000) 16.635 14.955 ( 0.542 11.333 0.000) 11.346 15.132 ( -3.486 1.364 0.000) 3.743 15.473 ( -6.043 -9.137 -0.000) 10.955 16.130 ( -8.584 4.949 0.000) 9.909 17.094 ( 1.753 7.878 0.000) 8.071 17.119 ( 1.177 4.015 0.000) 4.184 ======================= Grid point 196 (149/215) ======================= q-point: (-0.27 -0.48 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( -11.869 -11.900 -3.454) 17.159 3.545 ( -29.902 -1.499 -0.079) 29.939 3.974 ( -14.350 -10.178 3.474) 17.933 4.494 ( -25.704 3.731 4.321) 26.330 4.802 ( -5.915 -2.177 2.266) 6.698 5.428 ( -9.843 0.083 -3.684) 10.511 5.542 ( -5.661 4.824 -6.450) 9.845 5.655 ( -3.127 3.308 -1.920) 4.940 6.043 ( 3.737 -3.296 -2.624) 5.632 6.081 ( 4.820 5.089 3.357) 7.771 6.502 ( -5.797 10.774 -1.302) 12.303 6.656 ( -25.691 -1.753 3.555) 25.995 7.021 ( -6.273 -6.486 -0.353) 9.030 7.068 ( -15.277 -6.677 2.217) 16.819 7.444 ( -27.310 1.332 0.002) 27.342 10.495 ( -7.556 3.844 0.373) 8.486 11.322 ( 19.696 1.118 1.613) 19.793 11.732 ( -18.105 -1.800 -0.504) 18.201 13.237 ( 15.000 -1.377 -1.726) 15.161 14.186 ( -3.006 -7.522 -0.067) 8.101 14.802 ( 3.175 3.490 -0.091) 4.720 14.885 ( 7.438 -2.978 -0.185) 8.014 15.487 ( 13.420 -0.649 -0.149) 13.436 15.770 ( 8.667 -7.105 0.408) 11.214 16.674 ( 13.172 7.801 0.572) 15.319 16.982 ( -2.572 6.908 0.148) 7.373 16.999 ( -2.798 4.372 0.554) 5.220 ======================= Grid point 197 (150/215) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.000 25.425 0.000) 25.425 1.739 ( 0.000 23.244 0.000) 23.244 2.983 ( 0.000 11.775 0.000) 11.775 3.515 ( 0.000 42.204 0.000) 42.204 3.624 ( 0.000 18.509 0.000) 18.509 4.050 ( -0.000 -28.389 -0.000) 28.389 4.469 ( -0.000 -10.354 -0.000) 10.354 4.531 ( -0.000 -12.913 -0.000) 12.913 5.288 ( -0.000 -5.083 -0.000) 5.083 5.378 ( 0.000 0.971 0.000) 0.971 5.426 ( 0.000 4.643 0.000) 4.643 6.229 ( 0.000 8.189 0.000) 8.189 6.541 ( -0.000 -5.093 -0.000) 5.093 6.969 ( -0.000 -4.430 -0.000) 4.430 7.100 ( -0.000 -11.132 -0.000) 11.132 10.228 ( 0.000 2.556 0.000) 2.556 10.909 ( 0.000 41.962 0.000) 41.962 12.942 ( 0.000 1.621 0.000) 1.621 13.296 ( -0.000 -30.969 -0.000) 30.969 13.750 ( -0.000 -5.967 -0.000) 5.967 14.166 ( 0.000 18.618 0.000) 18.618 15.753 ( -0.000 -18.957 -0.000) 18.957 15.917 ( -0.000 -10.974 -0.000) 10.974 16.105 ( 0.000 8.929 0.000) 8.929 16.834 ( -0.000 -0.487 -0.000) 0.487 17.222 ( 0.000 3.748 0.000) 3.748 17.481 ( -0.000 -1.377 -0.000) 1.377 ======================= Grid point 199 (151/215) ======================= q-point: ( 0.17 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.896 ( 0.000 -3.745 0.000) 3.745 4.049 ( 0.000 19.515 -0.000) 19.515 4.603 ( 0.000 1.194 0.000) 1.194 5.424 ( 0.000 -2.417 -0.000) 2.417 5.448 ( -0.000 0.140 0.000) 0.140 5.555 ( -0.000 -2.267 0.000) 2.267 5.591 ( 0.000 0.177 0.000) 0.177 5.672 ( 0.000 0.335 -0.000) 0.335 5.697 ( -0.000 -0.096 -0.000) 0.096 6.013 ( -0.000 -3.596 0.000) 3.596 6.346 ( 0.000 6.694 0.000) 6.694 7.468 ( 0.000 9.867 0.000) 9.867 7.580 ( 0.000 5.746 0.000) 5.746 7.996 ( 0.000 -11.395 -0.000) 11.395 8.236 ( 0.000 -8.409 0.000) 8.409 9.816 ( 0.000 -19.229 0.000) 19.229 10.661 ( 0.000 -0.420 0.000) 0.420 12.353 ( 0.000 1.177 0.000) 1.177 13.059 ( 0.000 14.301 0.000) 14.301 14.560 ( 0.000 -6.903 0.000) 6.903 14.695 ( 0.000 14.707 0.000) 14.707 14.998 ( 0.000 -2.590 0.000) 2.590 15.323 ( 0.000 20.991 0.000) 20.991 15.661 ( 0.000 3.773 0.000) 3.773 15.694 ( 0.000 -11.894 0.000) 11.894 16.533 ( 0.000 -18.512 0.000) 18.512 16.908 ( 0.000 -5.130 0.000) 5.130 ======================= Grid point 204 (152/215) ======================= q-point: (-0.39 -0.61 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( -10.475 -22.238 -0.000) 24.581 3.954 ( -4.152 5.083 0.000) 6.563 4.623 ( 1.268 0.805 0.000) 1.502 5.180 ( -21.067 -4.966 0.000) 21.644 5.426 ( -10.109 -0.623 0.000) 10.128 5.555 ( -0.007 2.459 0.000) 2.459 5.688 ( 7.047 0.209 -0.000) 7.051 5.722 ( 0.070 4.503 0.000) 4.504 5.775 ( 5.747 1.113 -0.000) 5.854 5.983 ( -9.097 3.476 0.000) 9.738 6.219 ( 4.245 -3.953 -0.000) 5.801 7.272 ( -1.179 -10.008 -0.000) 10.077 7.374 ( -7.426 -4.681 -0.000) 8.778 8.059 ( -14.474 6.934 0.000) 16.049 8.288 ( -11.817 6.326 0.000) 13.404 10.254 ( 1.853 19.573 0.000) 19.660 10.729 ( 5.503 1.713 -0.000) 5.763 12.265 ( -5.652 -1.783 0.000) 5.926 12.869 ( 7.885 -10.508 -0.000) 13.137 14.433 ( 0.924 -12.517 -0.000) 12.551 14.726 ( -1.263 9.656 0.000) 9.739 14.882 ( 1.175 -20.933 -0.000) 20.966 15.102 ( 4.618 2.134 -0.000) 5.087 15.604 ( 5.300 -7.031 -0.000) 8.805 15.993 ( 7.572 10.126 0.000) 12.644 16.859 ( -1.622 14.443 0.000) 14.534 17.001 ( -1.969 5.752 0.000) 6.080 ======================= Grid point 206 (153/215) ======================= q-point: (-0.39 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -11.664 -14.036 -12.850) 22.320 2.608 ( -23.324 -21.545 -4.046) 32.009 3.347 ( -26.069 -10.094 8.251) 29.147 3.557 ( -22.392 -15.778 7.565) 28.418 4.460 ( -8.557 13.021 3.687) 16.011 4.683 ( -35.203 -8.536 -6.401) 36.784 4.953 ( -13.330 14.670 0.480) 19.828 5.102 ( -7.696 5.216 0.382) 9.304 5.552 ( -8.440 -1.170 -1.724) 8.693 5.868 ( -2.916 9.025 1.285) 9.571 6.119 ( -15.430 -1.410 -6.770) 16.909 6.266 ( -19.257 -1.726 3.464) 19.643 6.604 ( 4.612 -5.038 3.879) 7.855 6.700 ( 4.622 2.254 0.377) 5.156 7.305 ( 1.725 6.366 -1.781) 6.831 10.300 ( -6.862 -20.490 1.141) 21.639 10.967 ( -18.866 -2.743 -1.274) 19.107 12.198 ( 20.989 -0.197 0.759) 21.004 13.630 ( 8.043 13.936 -1.722) 16.182 14.168 ( -7.938 -13.712 -0.098) 15.844 14.314 ( -9.096 9.657 -0.423) 13.273 15.704 ( 12.590 -3.677 0.064) 13.116 16.129 ( 6.538 -4.098 -1.598) 7.880 16.160 ( 7.173 -0.242 -0.140) 7.179 16.726 ( 6.281 13.565 4.495) 15.610 16.824 ( 4.271 5.753 0.014) 7.165 16.893 ( 1.248 3.043 -0.119) 3.291 ======================= Grid point 213 (154/215) ======================= q-point: (-0.51 -0.49 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( -13.615 -22.425 -0.000) 26.235 3.694 ( -8.006 -5.601 -0.000) 9.770 4.226 ( -15.453 9.004 0.000) 17.885 4.499 ( -18.111 -12.080 -0.000) 21.770 4.871 ( -19.274 -4.143 0.000) 19.715 5.299 ( -12.991 11.808 0.000) 17.555 5.321 ( -10.935 6.243 0.000) 12.591 5.379 ( -9.153 5.318 0.000) 10.586 5.801 ( -0.433 1.834 0.000) 1.884 6.115 ( 5.577 5.427 0.000) 7.782 6.373 ( 5.208 0.607 -0.000) 5.243 6.747 ( -23.861 -7.212 0.000) 24.927 7.235 ( -21.268 0.035 0.000) 21.268 7.254 ( -20.370 -4.988 0.000) 20.972 7.420 ( -10.302 -0.487 0.000) 10.314 10.306 ( 14.297 3.180 -0.000) 14.646 11.269 ( 20.885 0.303 -0.000) 20.887 11.812 ( -17.275 -1.082 0.000) 17.309 13.301 ( 1.739 0.550 -0.000) 1.824 14.430 ( -4.426 6.423 0.000) 7.801 14.734 ( -2.877 -17.719 -0.000) 17.951 15.424 ( 7.227 -16.237 -0.000) 17.773 15.551 ( 16.917 -2.201 -0.000) 17.060 16.041 ( 7.231 20.341 0.000) 21.588 16.083 ( 8.182 -6.765 -0.000) 10.616 16.479 ( 0.792 16.123 0.000) 16.142 16.800 ( -1.081 4.360 0.000) 4.492 ======================= Grid point 215 (155/215) ======================= q-point: (-0.51 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -9.904 -10.615 -14.533) 20.542 2.287 ( -15.630 -14.750 -8.811) 23.227 2.883 ( -10.752 -14.456 7.303) 19.440 3.227 ( -6.145 -28.433 5.471) 29.599 3.424 ( -15.273 10.253 6.115) 19.385 4.192 ( -1.766 -5.771 -5.283) 8.021 4.441 ( 0.093 12.123 2.168) 12.316 4.762 ( -4.533 5.890 -0.831) 7.479 5.353 ( -3.627 2.531 -0.109) 4.424 5.456 ( -9.850 -4.150 -0.637) 10.708 5.540 ( -7.389 0.674 -0.595) 7.444 5.880 ( -3.259 -8.202 5.316) 10.303 6.841 ( 3.055 5.743 -1.828) 6.757 6.883 ( 0.580 9.376 -3.584) 10.055 7.056 ( 2.022 8.616 3.165) 9.399 10.421 ( -7.536 -0.165 -2.151) 7.838 10.820 ( -0.616 -39.597 2.029) 39.654 12.857 ( 8.704 -1.067 -0.135) 8.770 13.342 ( 1.634 29.793 -1.146) 29.860 13.810 ( -5.779 5.932 -0.000) 8.281 14.211 ( -4.615 -18.448 0.048) 19.017 15.806 ( -3.993 19.436 -0.054) 19.842 15.921 ( 2.737 8.348 -0.362) 8.793 16.157 ( -4.336 -5.767 -0.315) 7.222 16.834 ( 0.731 0.821 0.356) 1.155 17.178 ( 7.703 -3.379 -0.889) 8.459 17.239 ( 9.256 -3.175 2.316) 10.056 ======================= Grid point 222 (156/215) ======================= q-point: ( 0.37 -0.37 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( -22.095 9.606 0.000) 24.092 3.435 ( -11.686 -11.391 -0.000) 16.319 3.610 ( -13.044 -24.393 -0.000) 27.662 3.922 ( -25.788 18.759 0.000) 31.889 4.233 ( -15.182 -6.697 0.000) 16.594 4.270 ( -4.858 -7.161 -0.000) 8.654 4.616 ( -24.996 6.489 0.000) 25.825 4.868 ( -7.072 7.330 0.000) 10.186 5.575 ( -8.632 2.544 0.000) 8.998 5.720 ( -2.774 4.370 0.000) 5.176 6.398 ( -12.592 -7.791 -0.000) 14.807 6.511 ( -21.821 -10.047 0.000) 24.023 6.560 ( -0.657 7.523 0.000) 7.552 6.785 ( 6.228 -4.425 -0.000) 7.640 6.906 ( -9.955 8.103 0.000) 12.836 11.008 ( -19.278 0.883 0.000) 19.298 11.148 ( 17.391 -14.259 -0.000) 22.489 12.228 ( 21.714 -0.956 -0.000) 21.735 12.928 ( -8.605 13.775 0.000) 16.241 14.077 ( -9.105 1.687 0.000) 9.260 14.853 ( -7.853 -14.009 -0.000) 16.060 15.618 ( -3.648 14.507 0.000) 14.959 15.778 ( -0.635 0.112 0.000) 0.645 16.370 ( -0.147 -2.862 -0.000) 2.866 16.534 ( 21.062 -2.272 -0.000) 21.184 16.642 ( 16.864 2.047 -0.000) 16.988 16.785 ( 3.790 2.009 -0.000) 4.289 ======================= Grid point 224 (157/215) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 18.033 0.000 -0.000) 18.033 4.235 ( 0.953 0.000 -0.000) 0.953 4.273 ( 36.587 0.000 -0.000) 36.587 4.686 ( -7.491 -0.000 0.000) 7.491 5.337 ( 6.199 0.000 -0.000) 6.199 5.430 ( 24.752 0.000 -0.000) 24.752 5.444 ( 3.153 0.000 -0.000) 3.153 5.476 ( 3.274 0.000 -0.000) 3.274 5.890 ( 2.927 0.000 -0.000) 2.927 6.214 ( -9.679 -0.000 0.000) 9.679 6.479 ( -15.513 -0.000 0.000) 15.513 6.999 ( 8.836 0.000 -0.000) 8.836 7.035 ( 12.822 0.000 -0.000) 12.822 7.786 ( 29.462 0.000 -0.000) 29.462 8.013 ( 24.851 0.000 -0.000) 24.851 10.692 ( 2.990 0.000 -0.000) 2.990 11.083 ( -14.884 -0.000 0.000) 14.884 12.014 ( 13.005 0.000 -0.000) 13.005 12.830 ( -11.390 -0.000 0.000) 11.390 14.146 ( 1.036 0.000 -0.000) 1.036 14.447 ( -11.319 -0.000 0.000) 11.319 15.062 ( 4.253 0.000 -0.000) 4.253 15.259 ( -7.901 -0.000 0.000) 7.901 15.507 ( -9.450 -0.000 0.000) 9.450 16.437 ( -15.291 -0.000 0.000) 15.291 17.124 ( 2.950 0.000 -0.000) 2.950 17.133 ( 1.700 0.000 -0.000) 1.700 ======================= Grid point 225 (158/215) ======================= q-point: (-0.19 -0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -11.834 0.000 -0.096) 11.834 4.013 ( -6.141 0.000 2.635) 6.683 4.297 ( -35.990 0.000 -0.442) 35.993 4.729 ( 3.503 -0.000 0.807) 3.595 5.101 ( -21.389 0.000 2.480) 21.532 5.609 ( -6.276 0.000 -5.889) 8.606 5.675 ( 1.648 -0.000 -2.543) 3.030 5.749 ( -8.882 0.000 -5.777) 10.595 5.896 ( 4.689 -0.000 1.449) 4.908 6.010 ( 5.306 -0.000 5.097) 7.358 6.544 ( 17.864 -0.000 -0.792) 17.881 6.891 ( -8.405 0.000 1.503) 8.538 7.069 ( -13.690 0.000 -0.143) 13.691 7.656 ( -33.064 0.000 2.117) 33.131 8.029 ( -24.880 0.000 -0.098) 24.880 10.690 ( -3.549 0.000 0.029) 3.549 10.993 ( 13.406 -0.000 1.511) 13.491 12.029 ( -12.314 0.000 -0.244) 12.316 12.917 ( 12.823 -0.000 -1.436) 12.903 14.146 ( -1.021 0.000 0.003) 1.021 14.445 ( 11.480 -0.000 0.035) 11.480 15.062 ( -4.302 0.000 0.015) 4.302 15.268 ( 7.911 -0.000 -0.162) 7.912 15.475 ( 10.080 -0.000 0.545) 10.095 16.457 ( 14.287 -0.000 -0.308) 14.291 17.100 ( -2.559 0.000 0.454) 2.599 17.120 ( -3.087 0.000 0.150) 3.091 ======================= Grid point 226 (159/215) ======================= q-point: (-0.19 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -29.568 0.000 -5.344) 30.047 1.540 ( -10.537 0.000 -23.470) 25.727 2.568 ( -42.558 0.000 -4.095) 42.755 2.813 ( -21.472 0.000 13.077) 25.141 3.232 ( -45.133 0.000 1.337) 45.153 4.851 ( -0.077 -0.000 9.648) 9.648 5.069 ( -3.551 -0.000 8.104) 8.848 5.197 ( -8.836 0.000 5.603) 10.463 5.242 ( -2.937 0.000 -15.339) 15.617 5.796 ( -11.092 0.000 -2.554) 11.382 5.892 ( -15.392 0.000 1.926) 15.512 6.352 ( 0.807 0.000 -9.131) 9.166 6.608 ( 3.217 -0.000 16.275) 16.590 6.890 ( 14.497 -0.000 -12.076) 18.867 7.504 ( 7.381 -0.000 -6.210) 9.646 9.456 ( -17.296 0.000 1.857) 17.395 10.480 ( -14.618 0.000 -2.799) 14.884 12.594 ( 15.748 -0.000 -0.182) 15.749 13.701 ( -8.316 0.000 -0.072) 8.316 14.162 ( 12.713 -0.000 -2.223) 12.906 14.370 ( -9.284 0.000 0.054) 9.285 15.793 ( -5.367 0.000 -4.298) 6.876 16.067 ( 17.633 -0.000 -0.119) 17.634 16.432 ( 13.362 -0.000 0.125) 13.362 16.906 ( -0.704 0.000 -0.779) 1.050 16.988 ( 0.281 -0.000 0.435) 0.517 17.350 ( -6.146 -0.000 18.897) 19.871 ======================= Grid point 228 (160/215) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.828 ( 0.278 -1.534 -0.373) 1.603 4.268 ( 8.571 11.644 0.252) 14.460 4.553 ( 6.429 -3.398 -0.474) 7.287 5.248 ( 10.865 -0.324 -0.269) 10.873 5.461 ( 3.691 2.803 2.795) 5.412 5.505 ( 0.029 -0.417 -0.391) 0.573 5.517 ( 2.152 -2.189 -0.947) 3.212 5.643 ( 3.555 -0.885 -0.497) 3.697 5.811 ( 4.865 -1.020 -0.296) 4.980 5.875 ( -2.574 -0.272 0.319) 2.608 6.375 ( 5.709 1.722 -0.121) 5.964 7.589 ( 7.167 5.128 -0.474) 8.825 7.650 ( 3.195 5.229 0.180) 6.130 7.750 ( 5.160 -6.069 0.562) 7.986 7.981 ( 8.807 -5.456 -0.255) 10.364 9.596 ( -7.537 -7.192 -0.127) 10.419 10.712 ( -5.480 -0.022 -0.149) 5.482 12.310 ( 5.842 0.343 0.017) 5.852 13.303 ( -1.318 5.590 0.207) 5.747 14.448 ( 1.329 -2.361 0.028) 2.710 15.014 ( -5.294 5.265 0.075) 7.467 15.057 ( -6.388 8.356 0.153) 10.519 15.454 ( -1.073 -13.521 -0.083) 13.564 15.709 ( 0.293 17.074 0.123) 17.077 15.804 ( -7.077 2.892 -0.241) 7.649 16.135 ( 0.840 -18.590 -0.117) 18.610 16.813 ( 1.755 -2.026 -0.039) 2.680 ======================= Grid point 230 (161/215) ======================= q-point: ( 0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -15.952 28.109 0.000) 32.320 2.369 ( -21.569 14.592 0.000) 26.041 3.329 ( -18.101 -0.336 0.000) 18.105 3.553 ( -5.808 -21.714 -0.000) 22.478 3.940 ( 5.160 -3.150 -0.000) 6.045 3.996 ( -0.834 14.145 0.000) 14.170 4.317 ( -1.727 -7.745 -0.000) 7.935 4.453 ( -7.219 5.188 0.000) 8.890 5.286 ( -6.612 -1.810 0.000) 6.855 5.452 ( -3.712 2.700 0.000) 4.590 5.767 ( -7.729 20.887 0.000) 22.272 6.267 ( -3.892 -20.147 -0.000) 20.520 6.341 ( -1.029 -0.166 0.000) 1.042 6.863 ( 0.575 -8.488 -0.000) 8.507 6.978 ( 2.141 3.490 0.000) 4.095 10.367 ( -8.415 2.378 0.000) 8.745 11.679 ( 4.760 30.051 0.000) 30.426 12.641 ( -1.477 -26.938 -0.000) 26.979 12.882 ( 8.478 0.662 -0.000) 8.504 13.728 ( -5.797 -2.078 0.000) 6.158 14.570 ( -4.487 13.398 0.000) 14.129 15.432 ( -3.708 -13.840 -0.000) 14.328 15.755 ( 0.011 -3.534 -0.000) 3.534 16.265 ( -2.912 3.064 0.000) 4.227 16.818 ( 1.031 -0.314 -0.000) 1.077 17.196 ( 8.194 1.813 -0.000) 8.392 17.338 ( 10.301 -1.936 -0.000) 10.481 ======================= Grid point 232 (162/215) ======================= q-point: (-0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( -2.304 -14.319 -0.000) 14.504 4.135 ( -2.766 4.602 0.000) 5.369 4.555 ( 2.601 -0.779 -0.000) 2.715 5.452 ( 1.993 0.505 -0.000) 2.056 5.562 ( 4.668 0.114 -0.000) 4.669 5.572 ( 5.339 1.529 -0.000) 5.553 5.621 ( -8.522 0.724 0.000) 8.552 5.658 ( 3.931 -0.072 -0.000) 3.932 5.721 ( -2.185 1.155 0.000) 2.472 6.013 ( -0.861 -6.856 -0.000) 6.910 6.164 ( -0.259 2.558 0.000) 2.571 7.147 ( -1.578 -4.989 -0.000) 5.233 7.360 ( 0.289 -3.361 -0.000) 3.373 8.414 ( -3.848 6.847 0.000) 7.854 8.484 ( 2.828 2.982 0.000) 4.110 10.580 ( -0.072 11.263 0.000) 11.263 10.730 ( -1.306 2.058 0.000) 2.438 12.286 ( 0.070 -1.483 -0.000) 1.484 12.629 ( 1.349 -2.060 -0.000) 2.462 14.227 ( 0.077 -6.538 -0.000) 6.538 14.441 ( -0.031 -17.922 -0.000) 17.922 14.957 ( -0.049 11.160 0.000) 11.160 15.101 ( 0.197 1.664 0.000) 1.676 15.401 ( -0.844 -8.730 -0.000) 8.771 16.046 ( 0.631 4.627 0.000) 4.669 17.112 ( -0.066 7.987 0.000) 7.987 17.127 ( -0.412 3.777 0.000) 3.799 ======================= Grid point 233 (163/215) ======================= q-point: (-0.31 -0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -10.301 -9.973 -8.079) 16.457 2.866 ( -33.930 -10.098 -1.658) 35.439 3.700 ( -15.082 -7.739 6.358) 18.105 3.859 ( -33.016 -1.076 5.591) 33.503 4.725 ( -3.762 2.583 3.460) 5.727 5.173 ( -17.940 -3.063 -7.092) 19.533 5.383 ( -13.211 7.132 -4.762) 15.750 5.537 ( -8.341 6.622 -1.909) 10.820 5.782 ( -27.661 -6.517 2.510) 28.529 6.126 ( -0.853 9.308 5.721) 10.959 6.239 ( -0.315 -0.089 -7.686) 7.693 6.492 ( -2.305 -1.619 3.285) 4.327 6.619 ( -18.681 -1.893 2.238) 18.910 6.886 ( -16.959 3.965 1.668) 17.496 7.228 ( 6.706 -4.159 -2.320) 8.224 10.273 ( -13.794 -4.396 0.721) 14.496 11.325 ( -20.865 -2.215 -0.967) 21.005 11.756 ( 22.009 0.544 1.492) 22.066 13.548 ( 14.994 2.606 -1.731) 15.317 14.096 ( -5.840 -7.354 -0.079) 9.391 14.687 ( -8.201 8.300 -0.257) 11.671 15.242 ( 20.468 -5.480 -0.117) 21.189 15.797 ( 16.283 -1.669 -0.235) 16.370 15.923 ( 6.073 -5.787 -0.650) 8.414 16.901 ( 7.718 7.158 1.551) 10.640 16.943 ( -0.754 5.936 0.465) 6.002 16.951 ( -1.348 6.094 1.378) 6.392 ======================= Grid point 234 (164/215) ======================= q-point: (-0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 0.000 -18.974 -16.226) 24.966 1.241 ( -0.000 -36.082 -11.980) 38.019 1.620 ( 0.000 -17.266 -26.383) 31.531 2.212 ( -0.000 -12.273 9.651) 15.613 2.636 ( -0.000 -22.877 12.586) 26.110 4.789 ( -0.000 17.697 10.664) 20.661 4.901 ( 0.000 5.466 0.567) 5.496 4.964 ( -0.000 6.323 4.667) 7.859 5.245 ( 0.000 -5.530 -5.590) 7.863 5.424 ( 0.000 2.235 -0.171) 2.242 5.511 ( 0.000 2.022 -1.170) 2.336 6.199 ( 0.000 13.501 -3.903) 14.054 6.824 ( -0.000 -8.361 10.287) 13.256 7.256 ( 0.000 30.813 -13.528) 33.652 7.598 ( 0.000 7.117 -4.497) 8.419 9.340 ( -0.000 -25.119 2.220) 25.217 10.237 ( 0.000 -3.254 -3.724) 4.945 12.941 ( 0.000 1.884 -2.420) 3.066 13.580 ( -0.000 -8.001 0.026) 8.001 14.071 ( 0.000 7.304 0.025) 7.304 14.345 ( 0.000 19.221 -2.610) 19.397 15.649 ( -0.000 -9.562 0.292) 9.566 16.357 ( 0.000 8.247 -0.218) 8.250 16.402 ( 0.000 6.595 -1.155) 6.695 16.865 ( -0.000 -0.111 0.804) 0.811 17.036 ( -0.000 -4.767 1.114) 4.895 17.099 ( -0.000 -16.749 7.998) 18.560 ======================= Grid point 240 (165/215) ======================= q-point: (-0.42 -0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( -12.440 -21.495 -0.000) 24.836 3.838 ( -7.792 2.673 0.000) 8.238 4.593 ( -5.015 4.883 0.000) 6.999 4.694 ( -24.994 -11.711 0.000) 27.602 5.159 ( -16.383 -2.992 0.000) 16.654 5.530 ( -3.315 4.919 0.000) 5.932 5.662 ( -4.783 3.174 0.000) 5.740 5.675 ( -9.079 4.466 0.000) 10.118 5.866 ( 3.067 4.010 0.000) 5.048 5.954 ( 8.514 -0.803 -0.000) 8.552 6.316 ( 4.381 3.054 0.000) 5.341 7.131 ( -17.033 -3.060 0.000) 17.306 7.247 ( -1.211 -10.527 -0.000) 10.596 7.648 ( -24.465 -0.025 0.000) 24.465 7.920 ( -23.258 5.046 0.000) 23.799 10.319 ( 4.123 14.803 0.000) 15.367 10.926 ( 13.867 1.559 -0.000) 13.954 12.085 ( -11.986 -1.808 0.000) 12.121 13.070 ( 10.927 -7.240 -0.000) 13.108 14.442 ( -0.380 -13.422 -0.000) 13.428 14.684 ( -2.736 9.836 0.000) 10.210 14.940 ( 5.036 -17.755 -0.000) 18.456 15.251 ( 10.035 0.492 -0.000) 10.047 15.752 ( 8.470 -8.016 -0.000) 11.662 16.194 ( 11.262 12.814 0.000) 17.060 16.817 ( -2.248 13.877 0.000) 14.058 16.950 ( -2.763 5.646 0.000) 6.285 ======================= Grid point 242 (166/215) ======================= q-point: (-0.42 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -13.616 -17.067 -13.026) 25.423 2.213 ( -13.306 -18.240 -10.476) 24.890 2.868 ( -20.302 -16.106 9.683) 27.664 3.032 ( -26.730 -20.186 6.956) 34.210 3.896 ( -35.308 -14.855 -3.341) 38.451 4.347 ( -5.424 12.272 2.752) 13.697 4.765 ( -5.400 13.184 1.817) 14.362 4.954 ( -6.792 2.555 1.866) 7.493 5.448 ( -3.042 2.367 -3.312) 5.082 5.740 ( -10.665 5.477 -1.031) 12.033 5.789 ( -15.167 0.724 -1.794) 15.290 5.972 ( -7.632 4.753 5.037) 10.306 6.733 ( 6.841 -5.638 -0.029) 8.865 6.826 ( 6.681 3.789 -1.337) 7.796 7.346 ( 2.181 12.303 -1.164) 12.549 10.146 ( -7.503 -30.022 1.192) 30.968 10.629 ( -13.628 -2.644 -1.734) 13.990 12.584 ( 16.184 -0.270 0.218) 16.187 13.782 ( 6.499 19.383 -1.408) 20.492 14.002 ( -7.797 -14.041 -0.025) 16.060 14.125 ( -8.974 9.411 -0.386) 13.009 15.874 ( 3.905 -2.892 0.570) 4.893 16.184 ( 1.483 0.239 -2.660) 3.055 16.256 ( -0.046 12.762 0.272) 12.764 16.848 ( 2.366 3.899 3.248) 5.599 16.940 ( 7.038 -1.154 0.237) 7.136 16.967 ( 8.134 -0.448 1.655) 8.313 ======================= Grid point 249 (167/215) ======================= q-point: (-0.54 -0.46 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( -13.617 -20.482 -0.000) 24.595 3.457 ( -14.960 -15.888 -0.000) 21.823 3.850 ( -20.594 4.649 0.000) 21.112 4.173 ( -14.332 -14.794 -0.000) 20.598 4.499 ( -16.383 0.928 0.000) 16.409 4.905 ( -21.299 20.386 0.000) 29.483 5.156 ( -7.423 6.015 0.000) 9.554 5.158 ( -14.136 6.765 0.000) 15.671 5.794 ( -0.373 1.677 0.000) 1.718 5.956 ( -20.693 4.618 0.000) 21.202 6.483 ( 4.100 0.303 -0.000) 4.111 6.520 ( 3.859 -9.513 -0.000) 10.266 6.744 ( -22.270 -0.632 0.000) 22.279 6.807 ( -23.096 -7.574 0.000) 24.306 7.266 ( -6.824 3.996 0.000) 7.908 10.574 ( 11.103 -9.288 -0.000) 14.476 11.415 ( -19.531 -0.634 0.000) 19.542 11.740 ( 22.968 -0.719 -0.000) 22.979 13.306 ( -0.671 9.991 0.000) 10.013 14.315 ( -6.834 5.974 0.000) 9.077 14.641 ( -5.961 -17.811 -0.000) 18.782 15.604 ( 9.298 -10.110 -0.000) 13.736 15.879 ( 11.992 1.616 -0.000) 12.101 16.199 ( 10.459 16.652 0.000) 19.664 16.217 ( 4.819 -6.838 -0.000) 8.365 16.539 ( 5.501 11.845 0.000) 13.060 16.801 ( 1.035 3.788 0.000) 3.927 ======================= Grid point 251 (168/215) ======================= q-point: (-0.54 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 0.000 -15.070 -6.523) 16.421 2.133 ( 0.000 -6.186 -18.046) 19.077 2.764 ( -0.000 -17.700 5.161) 18.437 3.161 ( -0.000 -24.358 4.817) 24.830 3.275 ( -0.000 3.452 8.746) 9.403 4.182 ( 0.000 -9.227 -5.598) 10.792 4.443 ( 0.000 12.269 1.454) 12.354 4.711 ( 0.000 5.984 -0.394) 5.997 5.283 ( 0.000 4.250 -0.171) 4.254 5.375 ( -0.000 -5.038 1.327) 5.210 5.467 ( 0.000 1.329 -1.206) 1.795 5.849 ( -0.000 -8.230 5.099) 9.681 6.874 ( 0.000 6.336 -1.731) 6.569 6.884 ( 0.000 14.919 -3.371) 15.295 7.084 ( -0.000 5.238 2.549) 5.825 10.343 ( 0.000 0.355 -2.263) 2.290 10.812 ( -0.000 -41.764 1.996) 41.812 12.948 ( -0.000 -1.030 -0.224) 1.054 13.360 ( 0.000 30.714 -0.983) 30.729 13.748 ( 0.000 5.931 0.033) 5.932 14.162 ( -0.000 -18.568 0.064) 18.568 15.760 ( 0.000 19.027 -0.132) 19.028 15.959 ( 0.000 12.240 -0.824) 12.268 16.100 ( -0.000 -9.099 0.096) 9.100 16.841 ( -0.000 0.401 0.200) 0.448 17.259 ( -0.000 -3.875 -1.056) 4.016 17.336 ( -0.000 -3.693 2.612) 4.523 ======================= Grid point 258 (169/215) ======================= q-point: ( 0.34 -0.34 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -20.070 15.675 0.000) 25.466 3.077 ( -31.647 -7.319 0.000) 32.482 3.226 ( -8.496 -14.422 -0.000) 16.738 3.685 ( -2.843 -7.933 -0.000) 8.427 3.813 ( -26.211 -7.297 0.000) 27.208 4.221 ( -0.504 -1.121 -0.000) 1.229 4.270 ( -6.702 9.217 0.000) 11.396 4.739 ( -5.827 7.810 0.000) 9.744 5.430 ( -6.346 0.844 0.000) 6.402 5.629 ( -6.053 3.918 0.000) 7.211 6.089 ( -18.385 -16.345 -0.000) 24.600 6.163 ( -8.544 -10.170 -0.000) 13.283 6.523 ( -4.376 20.243 0.000) 20.710 6.790 ( -1.270 1.640 0.000) 2.075 6.920 ( 6.360 -1.323 -0.000) 6.496 10.652 ( -14.974 1.425 0.000) 15.042 11.437 ( 10.652 -24.883 -0.000) 27.067 12.622 ( 16.319 -0.849 -0.000) 16.341 12.784 ( -5.116 22.230 0.000) 22.811 13.886 ( -9.067 1.941 0.000) 9.272 14.694 ( -7.370 -13.699 -0.000) 15.556 15.525 ( -4.941 14.294 0.000) 15.124 15.769 ( -0.202 3.144 0.000) 3.150 16.332 ( -3.108 -2.737 -0.000) 4.141 16.776 ( 3.485 -0.019 -0.000) 3.485 16.974 ( 14.671 0.375 -0.000) 14.676 17.009 ( 16.431 -1.613 -0.000) 16.510 ======================= Grid point 262 (170/215) ======================= q-point: (-0.22 -0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -20.970 0.000 -9.621) 23.072 1.256 ( -23.537 0.000 -19.065) 30.289 1.751 ( -27.402 0.000 -24.257) 36.596 2.429 ( -31.107 0.000 7.642) 32.032 2.474 ( -11.307 0.000 15.905) 19.515 4.884 ( 3.462 -0.000 7.653) 8.400 5.039 ( -0.358 -0.000 8.745) 8.752 5.065 ( -4.054 -0.000 9.043) 9.910 5.188 ( -2.129 0.000 -17.187) 17.318 5.585 ( -9.831 0.000 0.141) 9.832 5.621 ( -9.313 0.000 0.425) 9.323 6.375 ( 1.004 0.000 -11.123) 11.168 6.659 ( 1.760 -0.000 17.953) 18.039 7.350 ( 29.970 -0.000 -12.862) 32.613 7.621 ( 3.969 -0.000 -6.474) 7.594 9.170 ( -9.989 0.000 2.089) 10.206 10.254 ( -7.342 0.000 -3.386) 8.085 12.861 ( 10.032 -0.000 -2.456) 10.328 13.555 ( -5.387 0.000 -0.017) 5.387 14.214 ( -5.576 0.000 0.019) 5.576 14.410 ( 12.354 -0.000 -2.670) 12.640 15.661 ( -7.025 0.000 -2.028) 7.312 16.351 ( 9.697 -0.000 -0.064) 9.697 16.649 ( 7.460 -0.000 0.154) 7.461 16.895 ( -1.297 0.000 -0.071) 1.299 16.988 ( -29.062 0.000 19.916) 35.231 16.996 ( -0.290 -0.000 0.984) 1.026 ======================= Grid point 264 (171/215) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 9.681 0.000 -0.000) 9.681 4.230 ( -1.273 -0.000 0.000) 1.273 4.558 ( -4.047 -0.000 0.000) 4.047 4.975 ( 31.407 0.000 -0.000) 31.407 5.477 ( 7.613 0.000 -0.000) 7.613 5.494 ( 2.414 0.000 -0.000) 2.414 5.537 ( 2.690 0.000 -0.000) 2.690 5.739 ( 2.115 0.000 -0.000) 2.115 5.939 ( 1.468 0.000 -0.000) 1.468 6.113 ( -20.230 -0.000 0.000) 20.230 6.121 ( 2.946 0.000 -0.000) 2.946 7.102 ( 1.889 0.000 -0.000) 1.889 7.243 ( 7.202 0.000 -0.000) 7.202 8.290 ( 18.420 0.000 -0.000) 18.420 8.405 ( 12.305 0.000 -0.000) 12.305 10.704 ( -0.870 -0.000 0.000) 0.870 10.848 ( -7.936 -0.000 0.000) 7.936 12.208 ( 6.025 0.000 -0.000) 6.025 12.663 ( -4.819 -0.000 0.000) 4.819 14.158 ( 0.209 0.000 -0.000) 0.209 14.285 ( -4.840 -0.000 0.000) 4.840 15.125 ( 1.965 0.000 -0.000) 1.965 15.147 ( -3.209 -0.000 0.000) 3.209 15.327 ( -7.286 -0.000 0.000) 7.286 16.181 ( -8.955 -0.000 0.000) 8.955 17.162 ( 0.956 0.000 -0.000) 0.956 17.175 ( 1.854 0.000 -0.000) 1.854 ======================= Grid point 265 (172/215) ======================= q-point: (-0.22 -0.53 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -11.002 0.000 -3.187) 11.454 3.533 ( -38.142 0.000 -0.790) 38.150 3.861 ( -9.080 0.000 4.542) 10.153 4.544 ( -31.772 0.000 3.792) 31.997 4.769 ( 0.404 -0.000 2.365) 2.399 5.425 ( -10.924 0.000 -4.430) 11.788 5.608 ( -4.333 0.000 -7.086) 8.306 5.679 ( -2.179 0.000 -3.629) 4.233 6.003 ( 3.123 -0.000 -2.236) 3.841 6.132 ( 5.534 -0.000 6.406) 8.466 6.633 ( -30.877 0.000 1.149) 30.898 6.689 ( -10.846 0.000 1.179) 10.909 6.879 ( 15.014 -0.000 -1.478) 15.087 7.010 ( -25.008 0.000 2.508) 25.133 7.459 ( -28.923 0.000 0.158) 28.923 10.537 ( -11.523 0.000 0.301) 11.527 11.334 ( 19.395 -0.000 1.776) 19.476 11.712 ( -18.318 0.000 -0.549) 18.326 13.223 ( 16.542 -0.000 -1.721) 16.631 14.108 ( -2.939 0.000 -0.012) 2.939 14.754 ( 18.320 -0.000 -0.043) 18.320 14.948 ( -6.696 0.000 0.035) 6.696 15.481 ( 12.776 -0.000 -0.124) 12.777 15.686 ( 9.875 -0.000 -0.043) 9.875 16.751 ( 13.448 -0.000 0.399) 13.454 17.048 ( -2.352 0.000 0.656) 2.442 17.056 ( -2.899 0.000 0.415) 2.929 ======================= Grid point 266 (173/215) ======================= q-point: ( 0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.000 30.033 0.000) 30.033 2.130 ( 0.000 13.904 0.000) 13.904 3.128 ( 0.000 1.571 0.000) 1.571 3.500 ( -0.000 -23.698 -0.000) 23.698 3.992 ( 0.000 16.035 0.000) 16.035 4.028 ( -0.000 -1.417 -0.000) 1.417 4.300 ( -0.000 -8.215 -0.000) 8.215 4.347 ( 0.000 6.676 0.000) 6.676 5.211 ( -0.000 -1.998 -0.000) 1.998 5.408 ( 0.000 1.767 0.000) 1.767 5.692 ( 0.000 21.824 0.000) 21.824 6.230 ( -0.000 -22.729 -0.000) 22.729 6.331 ( -0.000 -0.181 -0.000) 0.181 6.869 ( -0.000 -8.889 -0.000) 8.889 7.001 ( 0.000 4.511 0.000) 4.511 10.280 ( 0.000 2.469 0.000) 2.469 11.725 ( 0.000 33.965 0.000) 33.965 12.630 ( -0.000 -30.669 -0.000) 30.669 12.969 ( 0.000 0.826 0.000) 0.826 13.666 ( -0.000 -2.126 -0.000) 2.126 14.522 ( 0.000 13.293 0.000) 13.293 15.391 ( -0.000 -13.389 -0.000) 13.389 15.756 ( -0.000 -3.930 -0.000) 3.930 16.233 ( 0.000 3.201 0.000) 3.201 16.829 ( -0.000 -0.043 -0.000) 0.043 17.282 ( 0.000 2.065 0.000) 2.065 17.445 ( -0.000 -2.101 -0.000) 2.101 ======================= Grid point 268 (174/215) ======================= q-point: ( 0.22 -0.72 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.830 ( 0.000 -1.809 0.000) 1.809 4.359 ( 0.000 8.541 -0.000) 8.541 4.621 ( 0.000 0.495 0.000) 0.495 5.391 ( 0.000 -0.779 -0.000) 0.779 5.457 ( -0.000 0.577 0.000) 0.577 5.513 ( -0.000 -1.494 -0.000) 1.494 5.592 ( 0.000 -0.014 0.000) 0.014 5.675 ( 0.000 -0.005 -0.000) 0.005 5.704 ( -0.000 0.472 0.000) 0.472 5.959 ( -0.000 -1.422 0.000) 1.422 6.442 ( 0.000 2.465 0.000) 2.465 7.654 ( -0.000 6.830 0.000) 6.830 7.683 ( 0.000 4.242 0.000) 4.242 7.799 ( 0.000 -7.083 -0.000) 7.083 8.070 ( 0.000 -6.395 0.000) 6.395 9.525 ( 0.000 -7.831 0.000) 7.831 10.661 ( 0.000 0.160 0.000) 0.160 12.369 ( 0.000 0.362 0.000) 0.362 13.286 ( 0.000 6.416 0.000) 6.416 14.463 ( 0.000 -2.454 0.000) 2.454 14.958 ( 0.000 -1.083 0.000) 1.083 14.985 ( 0.000 11.854 0.000) 11.854 15.446 ( 0.000 -10.710 0.000) 10.710 15.712 ( 0.000 1.239 0.000) 1.239 15.729 ( 0.000 18.675 0.000) 18.675 16.144 ( 0.000 -18.742 0.000) 18.742 16.832 ( 0.000 -2.028 0.000) 2.028 ======================= Grid point 273 (175/215) ======================= q-point: (-0.34 -0.66 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( -9.938 -14.123 -0.000) 17.270 4.057 ( -4.983 4.374 0.000) 6.631 4.634 ( 3.967 0.305 -0.000) 3.978 5.060 ( -28.020 -5.730 0.000) 28.600 5.418 ( -11.671 -0.177 0.000) 11.673 5.613 ( 2.129 2.649 0.000) 3.398 5.692 ( 7.702 0.145 -0.000) 7.704 5.785 ( 7.037 0.479 -0.000) 7.053 5.811 ( -2.855 3.114 0.000) 4.225 6.042 ( -10.449 2.118 0.000) 10.662 6.160 ( 14.664 -1.725 -0.000) 14.765 7.093 ( -3.487 -6.914 -0.000) 7.744 7.297 ( -6.492 -2.692 0.000) 7.028 8.174 ( -19.496 4.020 0.000) 19.907 8.387 ( -12.195 3.282 0.000) 12.628 10.588 ( 0.595 11.742 0.000) 11.757 10.768 ( 5.346 1.839 -0.000) 5.654 12.229 ( -5.653 -1.472 0.000) 5.842 12.732 ( 8.480 -2.654 -0.000) 8.886 14.230 ( 0.096 -6.976 -0.000) 6.977 14.469 ( 3.065 -16.577 -0.000) 16.858 14.956 ( -0.338 11.124 0.000) 11.129 15.140 ( 3.763 1.417 -0.000) 4.021 15.440 ( 4.606 -8.827 -0.000) 9.957 16.152 ( 9.212 5.290 -0.000) 10.623 17.091 ( -1.891 7.903 0.000) 8.126 17.103 ( -1.912 3.788 0.000) 4.243 ======================= Grid point 275 (176/215) ======================= q-point: (-0.34 -0.41 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -13.092 -8.836 -11.730) 19.674 2.218 ( -24.980 -14.867 -4.719) 29.450 3.198 ( -30.678 -3.959 7.283) 31.779 3.298 ( -24.890 -8.905 7.097) 27.371 4.440 ( -42.928 -11.826 -6.809) 45.044 4.678 ( -6.953 7.293 3.627) 10.709 5.084 ( -12.408 1.111 4.574) 13.270 5.274 ( -13.055 8.380 2.463) 15.707 5.545 ( -2.479 0.428 -8.724) 9.079 6.079 ( -6.597 9.114 3.396) 11.753 6.112 ( -12.092 0.865 -5.277) 13.222 6.264 ( -13.572 0.697 4.638) 14.359 6.502 ( 3.658 -4.661 2.282) 6.349 6.767 ( 4.243 3.816 -1.508) 5.902 7.387 ( 7.820 1.981 -2.532) 8.455 9.955 ( -16.513 -12.398 1.025) 20.675 10.907 ( -19.199 -2.709 -1.440) 19.443 12.200 ( 20.793 0.260 0.910) 20.815 13.840 ( 13.298 6.745 -1.518) 14.988 13.951 ( -8.066 -7.293 -0.072) 10.874 14.500 ( -9.695 7.149 -0.339) 12.050 15.649 ( 17.309 -0.910 0.163) 17.333 16.007 ( 3.824 -5.874 -2.877) 7.577 16.142 ( 15.638 -1.732 0.118) 15.735 16.915 ( -0.557 2.415 -0.238) 2.490 16.936 ( 0.401 4.190 0.588) 4.250 17.021 ( 1.798 10.209 6.350) 12.157 ======================= Grid point 282 (177/215) ======================= q-point: (-0.45 -0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( -11.855 -19.882 -0.000) 23.148 3.593 ( -17.267 -3.842 0.000) 17.690 4.218 ( -20.015 -14.651 -0.000) 24.804 4.359 ( -19.400 4.854 0.000) 19.998 4.818 ( -14.065 -1.659 0.000) 14.163 5.413 ( -7.449 4.342 0.000) 8.622 5.502 ( -7.444 6.351 0.000) 9.785 5.534 ( -8.732 7.765 0.000) 11.685 5.895 ( -0.104 7.616 0.000) 7.617 6.160 ( 10.383 -1.302 -0.000) 10.465 6.398 ( 3.948 2.605 0.000) 4.730 6.639 ( -31.116 -2.893 0.000) 31.250 7.136 ( -23.935 -6.067 0.000) 24.692 7.189 ( -8.914 -4.904 0.000) 10.174 7.420 ( -19.493 0.835 0.000) 19.511 10.394 ( 2.386 5.057 0.000) 5.592 11.284 ( 20.396 1.006 -0.000) 20.421 11.779 ( -17.580 -2.027 0.000) 17.696 13.288 ( 9.982 -1.542 -0.000) 10.101 14.408 ( -3.067 -13.737 -0.000) 14.075 14.610 ( -4.696 10.566 0.000) 11.562 15.109 ( 11.648 -14.201 -0.000) 18.367 15.511 ( 15.092 -1.571 -0.000) 15.173 15.926 ( 7.974 -8.238 -0.000) 11.465 16.420 ( 10.047 15.953 0.000) 18.853 16.777 ( -1.366 12.645 0.000) 12.719 16.898 ( -2.028 4.946 0.000) 5.346 ======================= Grid point 284 (178/215) ======================= q-point: (-0.45 -0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -13.224 -20.356 -10.550) 26.468 2.040 ( -5.269 -9.593 -18.351) 21.367 2.521 ( -13.660 -18.812 10.057) 25.331 2.576 ( -15.106 -31.920 4.688) 35.624 3.304 ( -20.560 -24.297 -0.553) 31.833 4.269 ( -2.292 15.661 3.187) 16.146 4.705 ( -1.027 11.424 2.228) 11.684 4.831 ( -4.862 1.572 3.663) 6.287 5.406 ( -1.312 3.755 -4.773) 6.213 5.483 ( -10.676 3.360 -0.066) 11.193 5.571 ( -7.032 1.869 -1.314) 7.394 5.891 ( -1.893 9.107 5.065) 10.591 6.856 ( 4.622 -6.329 -0.608) 7.860 6.952 ( 5.028 8.557 -2.773) 10.305 7.388 ( 1.647 15.814 -0.765) 15.918 10.017 ( -4.667 -35.714 1.123) 36.035 10.421 ( -6.663 -2.095 -2.096) 7.292 12.845 ( 8.966 0.251 -0.340) 8.976 13.867 ( -4.723 -13.752 -0.038) 14.541 13.888 ( 3.394 21.328 -0.928) 21.616 13.967 ( -5.780 10.077 -0.329) 11.621 15.893 ( -0.930 -8.891 0.301) 8.945 16.172 ( -3.703 14.881 -0.515) 15.343 16.225 ( -0.311 10.633 -0.979) 10.683 16.852 ( -0.403 0.888 1.032) 1.420 17.087 ( 5.867 -5.184 -0.289) 7.834 17.145 ( 7.248 -6.310 3.639) 10.276 ======================= Grid point 291 (179/215) ======================= q-point: (-0.57 -0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -13.275 -16.633 -0.000) 21.281 3.117 ( -17.437 -23.607 -0.000) 29.348 3.422 ( -20.163 -2.623 0.000) 20.333 3.827 ( -20.966 -16.731 -0.000) 26.823 4.190 ( -14.856 6.516 0.000) 16.222 4.544 ( -11.574 22.349 0.000) 25.168 4.754 ( -23.729 5.135 0.000) 24.278 5.014 ( -6.541 6.298 0.000) 9.080 5.594 ( -12.094 -1.217 0.000) 12.155 5.774 ( -1.904 1.625 0.000) 2.503 6.251 ( -18.857 -4.719 0.000) 19.438 6.314 ( -24.191 -7.813 0.000) 25.421 6.649 ( 5.549 2.321 -0.000) 6.015 6.679 ( 8.912 -5.808 -0.000) 10.638 7.131 ( -6.135 11.414 0.000) 12.958 10.743 ( 5.275 -22.736 -0.000) 23.340 11.012 ( -18.851 -0.617 0.000) 18.861 12.206 ( 21.551 -1.025 -0.000) 21.576 13.297 ( 0.216 19.473 0.000) 19.475 14.153 ( -8.850 5.891 0.000) 10.631 14.498 ( -7.753 -17.905 -0.000) 19.512 15.766 ( 6.039 -1.708 -0.000) 6.276 15.970 ( -1.103 15.797 0.000) 15.835 16.276 ( 0.728 -5.712 -0.000) 5.758 16.517 ( 17.931 2.034 -0.000) 18.047 16.714 ( 11.367 4.710 -0.000) 12.304 16.837 ( 2.658 2.889 0.000) 3.926 ======================= Grid point 300 (180/215) ======================= q-point: ( 0.31 -0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -12.149 21.248 0.000) 24.476 2.504 ( -21.879 -2.166 0.000) 21.986 3.091 ( -4.740 -14.719 -0.000) 15.464 3.317 ( -19.017 -6.286 0.000) 20.029 3.679 ( 1.184 -19.810 -0.000) 19.846 4.231 ( 1.172 2.673 0.000) 2.919 4.235 ( 1.174 7.931 0.000) 8.017 4.624 ( -5.092 8.481 0.000) 9.892 5.295 ( -6.499 2.393 0.000) 6.926 5.502 ( -5.263 2.232 0.000) 5.716 5.801 ( -9.071 -23.203 -0.000) 24.913 6.052 ( -2.892 -7.377 -0.000) 7.924 6.428 ( -3.755 22.416 0.000) 22.728 6.798 ( 0.919 1.148 0.000) 1.470 7.028 ( 3.862 0.644 -0.000) 3.915 10.412 ( -8.107 1.976 0.000) 8.344 11.588 ( 4.405 -33.926 -0.000) 34.210 12.718 ( -1.586 29.535 0.000) 29.577 12.881 ( 8.699 -0.708 -0.000) 8.728 13.728 ( -5.835 2.043 0.000) 6.183 14.567 ( -4.569 -13.560 -0.000) 14.309 15.434 ( -3.493 13.951 0.000) 14.382 15.770 ( 0.250 4.903 0.000) 4.909 16.264 ( -2.975 -3.090 -0.000) 4.289 16.819 ( 1.263 0.333 -0.000) 1.307 17.216 ( 8.390 -0.002 -0.000) 8.390 17.289 ( 9.826 -2.947 -0.000) 10.259 ======================= Grid point 302 (181/215) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -2.408 -0.000 0.000) 2.408 4.186 ( -2.978 -0.000 0.000) 2.978 4.546 ( 2.791 0.000 -0.000) 2.791 5.456 ( 2.418 0.000 -0.000) 2.418 5.563 ( 4.720 0.000 -0.000) 4.720 5.590 ( 2.580 0.000 -0.000) 2.580 5.629 ( -8.897 -0.000 0.000) 8.897 5.655 ( 3.057 0.000 -0.000) 3.057 5.738 ( 3.315 0.000 -0.000) 3.315 5.935 ( -2.118 -0.000 0.000) 2.118 6.192 ( -0.400 -0.000 0.000) 0.400 7.094 ( -2.304 -0.000 0.000) 2.304 7.324 ( 0.686 0.000 -0.000) 0.686 8.488 ( -4.605 -0.000 0.000) 4.605 8.514 ( 3.254 0.000 -0.000) 3.254 10.691 ( 0.164 0.000 -0.000) 0.164 10.754 ( -1.450 -0.000 0.000) 1.450 12.269 ( 0.087 0.000 -0.000) 0.087 12.630 ( 1.424 0.000 -0.000) 1.424 14.159 ( -0.003 -0.000 0.000) 0.003 14.236 ( -0.109 -0.000 0.000) 0.109 15.118 ( 0.209 0.000 -0.000) 0.209 15.145 ( -0.001 -0.000 0.000) 0.001 15.239 ( -0.873 -0.000 0.000) 0.873 16.094 ( 0.734 0.000 -0.000) 0.734 17.167 ( -0.468 -0.000 0.000) 0.468 17.194 ( -0.058 -0.000 0.000) 0.058 ======================= Grid point 303 (182/215) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -9.082 0.000 -7.872) 12.019 2.754 ( -37.352 0.000 -1.456) 37.380 3.620 ( -15.182 0.000 6.359) 16.460 3.853 ( -34.540 0.000 5.093) 34.914 4.744 ( -3.281 0.000 3.281) 4.640 5.139 ( -19.858 0.000 -8.026) 21.418 5.495 ( -20.401 0.000 -2.370) 20.539 5.558 ( -0.992 0.000 -9.345) 9.397 5.722 ( -25.776 0.000 8.620) 27.179 6.224 ( 3.356 -0.000 9.109) 9.708 6.240 ( -2.034 0.000 -7.066) 7.353 6.478 ( -9.642 0.000 0.692) 9.667 6.604 ( -16.666 0.000 1.914) 16.775 6.945 ( -18.066 0.000 0.264) 18.068 7.163 ( 12.810 -0.000 -2.205) 12.998 10.228 ( -18.169 0.000 0.647) 18.181 11.300 ( -21.161 0.000 -0.951) 21.182 11.763 ( 21.778 -0.000 1.580) 21.835 13.573 ( 17.179 -0.000 -1.682) 17.261 14.019 ( -5.741 0.000 -0.044) 5.741 14.778 ( -9.199 0.000 0.048) 9.199 15.186 ( 22.615 -0.000 -0.104) 22.615 15.781 ( 16.103 -0.000 -0.038) 16.103 15.857 ( 6.369 -0.000 -1.466) 6.535 16.943 ( 2.580 -0.000 -0.170) 2.586 17.003 ( -1.799 0.000 0.276) 1.820 17.050 ( 4.613 -0.000 3.865) 6.018 ======================= Grid point 304 (183/215) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.000 -0.000 -14.345) 14.345 0.795 ( 0.000 -0.000 -20.293) 20.293 1.543 ( 0.000 -0.000 -36.105) 36.105 2.079 ( -0.000 0.000 10.299) 10.299 2.358 ( -0.000 0.000 17.093) 17.093 4.955 ( 0.000 -0.000 -0.125) 0.125 5.000 ( -0.000 0.000 12.642) 12.642 5.050 ( -0.000 0.000 13.901) 13.901 5.164 ( 0.000 -0.000 -17.851) 17.851 5.450 ( -0.000 0.000 0.019) 0.019 5.533 ( 0.000 -0.000 -0.801) 0.801 6.386 ( 0.000 -0.000 -11.530) 11.530 6.678 ( -0.000 0.000 18.492) 18.492 7.662 ( 0.000 -0.000 -6.508) 6.508 7.816 ( -0.000 0.000 3.480) 3.480 9.065 ( -0.000 0.000 2.162) 2.162 10.179 ( 0.000 -0.000 -3.625) 3.625 12.978 ( 0.000 -0.000 -3.610) 3.610 13.497 ( -0.000 0.000 0.014) 0.014 14.155 ( -0.000 0.000 0.002) 0.002 14.622 ( -0.000 0.000 1.886) 1.886 15.541 ( -0.000 0.000 0.331) 0.331 16.442 ( 0.000 -0.000 -0.221) 0.221 16.452 ( 0.000 -0.000 -0.041) 0.041 16.727 ( -0.000 0.000 0.161) 0.161 16.897 ( 0.000 -0.000 -1.295) 1.295 17.000 ( -0.000 0.000 0.559) 0.559 ======================= Grid point 310 (184/215) ======================= q-point: (-0.37 -0.63 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -11.315 -13.431 -0.000) 17.562 3.916 ( -9.734 4.746 0.000) 10.829 4.446 ( -30.379 -11.405 0.000) 32.450 4.680 ( -0.447 3.491 0.000) 3.519 5.104 ( -19.554 -2.316 0.000) 19.690 5.629 ( -3.125 4.050 0.000) 5.115 5.695 ( -4.262 0.805 0.000) 4.337 5.763 ( -7.167 4.072 0.000) 8.242 5.918 ( 6.404 -2.517 -0.000) 6.881 5.930 ( 6.314 1.605 -0.000) 6.515 6.432 ( 9.830 7.747 0.000) 12.516 7.023 ( -2.350 -10.777 -0.000) 11.030 7.085 ( -14.792 -1.469 0.000) 14.865 7.641 ( -31.109 -0.488 0.000) 31.113 8.001 ( -24.553 2.786 0.000) 24.711 10.584 ( -1.692 9.917 0.000) 10.060 10.961 ( 13.422 1.525 -0.000) 13.509 12.048 ( -12.118 -1.537 0.000) 12.215 12.960 ( 13.251 -3.202 -0.000) 13.633 14.224 ( -0.858 -7.491 -0.000) 7.540 14.586 ( 8.836 -12.684 -0.000) 15.459 14.929 ( -2.528 10.193 0.000) 10.502 15.263 ( 8.461 0.594 -0.000) 8.482 15.580 ( 8.539 -8.305 -0.000) 11.911 16.393 ( 13.471 6.539 -0.000) 14.975 17.040 ( -2.910 7.584 0.000) 8.123 17.053 ( -2.804 3.948 0.000) 4.842 ======================= Grid point 312 (185/215) ======================= q-point: (-0.37 -0.38 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -21.167 -22.183 -5.865) 31.218 2.010 ( -7.615 -6.295 -17.582) 20.168 2.622 ( -25.772 -6.579 8.043) 27.788 2.702 ( -30.808 -11.210 6.655) 33.453 3.489 ( -44.986 -19.526 -4.105) 49.212 4.605 ( -1.821 9.857 5.215) 11.299 4.884 ( -6.926 0.004 7.469) 10.186 5.062 ( -7.974 6.949 1.786) 10.727 5.516 ( -0.959 3.271 -12.789) 13.236 5.815 ( -13.742 1.475 -1.560) 13.909 5.831 ( -14.581 3.053 0.575) 14.908 6.152 ( -1.363 10.299 8.499) 13.423 6.599 ( 4.977 -6.998 0.490) 8.601 6.954 ( 12.726 7.857 -4.470) 15.610 7.533 ( 6.153 5.917 -2.590) 8.921 9.630 ( -14.427 -19.001 1.228) 23.889 10.565 ( -13.626 -3.188 -1.969) 14.132 12.590 ( 16.836 0.677 -0.052) 16.850 13.779 ( -8.190 -7.492 -0.046) 11.100 14.082 ( 9.847 10.326 -1.120) 14.312 14.309 ( -8.246 6.745 -0.551) 10.667 15.827 ( -0.740 0.394 -0.624) 1.045 16.154 ( 10.937 -4.092 -2.701) 11.986 16.413 ( 9.525 2.833 0.039) 9.937 16.921 ( 1.239 -0.420 -0.367) 1.359 16.953 ( -0.482 3.593 2.981) 4.693 16.985 ( -3.186 3.724 6.998) 8.544 ======================= Grid point 319 (186/215) ======================= q-point: (-0.49 -0.51 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -10.530 -17.161 -0.000) 20.134 3.142 ( -24.878 -14.505 -0.000) 28.797 3.841 ( -28.570 -2.804 0.000) 28.708 3.867 ( -16.187 -14.132 -0.000) 21.488 4.597 ( -8.842 6.199 0.000) 10.798 5.244 ( -9.823 3.751 0.000) 10.515 5.281 ( -14.197 13.492 0.000) 19.586 5.313 ( -14.527 7.728 0.000) 16.455 5.881 ( -0.972 7.677 0.000) 7.738 5.948 ( -30.948 -5.938 0.000) 31.513 6.371 ( 9.722 -4.057 -0.000) 10.534 6.468 ( 0.379 -1.369 -0.000) 1.421 6.667 ( -22.371 -5.438 0.000) 23.022 6.775 ( -20.103 3.392 0.000) 20.387 7.303 ( 0.092 -0.538 -0.000) 0.546 10.393 ( -2.722 -7.874 -0.000) 8.332 11.384 ( -20.164 -2.263 0.000) 20.291 11.734 ( 22.772 0.128 -0.000) 22.772 13.477 ( 8.658 6.274 0.000) 10.692 14.314 ( -5.985 -13.683 -0.000) 14.934 14.488 ( -7.233 10.284 0.000) 12.573 15.401 ( 15.862 -9.325 -0.000) 18.400 15.847 ( 16.891 -2.615 -0.000) 17.092 16.065 ( 5.507 -7.534 -0.000) 9.332 16.582 ( 5.593 18.050 0.000) 18.896 16.771 ( 0.973 10.239 0.000) 10.285 16.878 ( 0.199 3.547 0.000) 3.553 ======================= Grid point 321 (187/215) ======================= q-point: (-0.49 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.000 -18.620 -11.079) 21.667 1.986 ( 0.000 -8.494 -19.771) 21.519 2.364 ( -0.000 -20.143 8.917) 22.029 2.429 ( -0.000 -38.367 3.283) 38.508 3.092 ( -0.000 -27.714 1.948) 27.782 4.247 ( 0.000 16.926 3.317) 17.248 4.701 ( 0.000 11.773 1.143) 11.828 4.775 ( -0.000 0.509 5.421) 5.445 5.368 ( 0.000 3.677 -0.115) 3.679 5.393 ( 0.000 4.021 -5.112) 6.504 5.497 ( 0.000 1.653 -1.304) 2.105 5.872 ( -0.000 10.093 5.213) 11.360 6.906 ( -0.000 -6.333 -0.680) 6.370 7.008 ( 0.000 11.230 -3.071) 11.643 7.406 ( 0.000 16.909 -0.705) 16.924 9.968 ( -0.000 -37.589 1.082) 37.604 10.353 ( 0.000 -1.675 -2.231) 2.790 12.939 ( 0.000 0.672 -0.603) 0.902 13.815 ( -0.000 -14.693 0.040) 14.693 13.899 ( 0.000 8.482 0.035) 8.482 13.931 ( 0.000 24.929 -1.108) 24.953 15.877 ( -0.000 -12.017 0.149) 12.017 16.117 ( 0.000 15.152 -0.143) 15.153 16.226 ( 0.000 12.620 -1.247) 12.681 16.848 ( -0.000 0.143 0.620) 0.636 17.150 ( -0.000 -6.475 -0.642) 6.507 17.223 ( -0.000 -7.850 4.015) 8.817 ======================= Grid point 328 (188/215) ======================= q-point: (-0.60 -0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -11.600 -10.675 -0.000) 15.765 2.737 ( -20.329 -21.649 -0.000) 29.698 3.055 ( -15.182 -10.020 -0.000) 18.191 3.393 ( -17.719 -20.397 -0.000) 27.018 3.811 ( -22.873 10.127 0.000) 25.014 4.362 ( -11.437 -1.707 0.000) 11.563 4.421 ( -2.004 16.509 0.000) 16.631 4.884 ( -6.174 5.397 0.000) 8.200 5.430 ( -5.090 -0.601 0.000) 5.125 5.693 ( -6.570 2.521 0.000) 7.038 5.835 ( -21.745 -6.413 0.000) 22.671 5.944 ( -9.895 -7.475 -0.000) 12.401 6.763 ( 5.161 3.559 0.000) 6.269 6.857 ( 8.014 -4.816 -0.000) 9.350 7.023 ( -4.234 18.527 0.000) 19.005 10.668 ( -14.238 0.020 0.000) 14.238 10.800 ( 0.839 -33.685 -0.000) 33.696 12.599 ( 16.322 -1.223 -0.000) 16.367 13.318 ( 1.646 26.442 0.000) 26.493 13.967 ( -8.870 5.954 0.000) 10.683 14.338 ( -7.445 -18.161 -0.000) 19.628 15.859 ( 3.518 4.182 0.000) 5.465 15.902 ( -4.691 19.442 0.000) 20.000 16.247 ( -3.291 -4.308 -0.000) 5.421 16.783 ( 5.220 0.675 -0.000) 5.264 16.972 ( 12.689 -0.617 -0.000) 12.704 16.973 ( 12.281 -1.806 -0.000) 12.413 ======================= Grid point 337 (189/215) ======================= q-point: ( 0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 0.000 24.163 0.000) 24.163 2.265 ( -0.000 -1.139 -0.000) 1.139 3.031 ( -0.000 -10.842 -0.000) 10.842 3.121 ( -0.000 -10.731 -0.000) 10.731 3.698 ( -0.000 -23.720 -0.000) 23.720 4.249 ( 0.000 3.801 0.000) 3.801 4.257 ( 0.000 8.290 0.000) 8.290 4.562 ( 0.000 9.518 0.000) 9.518 5.215 ( 0.000 2.225 0.000) 2.225 5.444 ( 0.000 1.766 0.000) 1.766 5.712 ( -0.000 -25.319 -0.000) 25.319 6.025 ( -0.000 -6.363 -0.000) 6.363 6.388 ( 0.000 22.382 0.000) 22.382 6.809 ( 0.000 1.680 0.000) 1.680 7.069 ( 0.000 1.366 0.000) 1.366 10.328 ( 0.000 2.218 0.000) 2.218 11.631 ( -0.000 -37.234 -0.000) 37.234 12.705 ( 0.000 32.178 0.000) 32.178 12.971 ( -0.000 -0.640 -0.000) 0.640 13.665 ( 0.000 2.041 0.000) 2.041 14.519 ( -0.000 -13.504 -0.000) 13.504 15.396 ( 0.000 13.752 0.000) 13.752 15.774 ( 0.000 5.622 0.000) 5.622 16.230 ( -0.000 -3.413 -0.000) 3.413 16.832 ( 0.000 0.276 0.000) 0.276 17.303 ( -0.000 -0.045 -0.000) 0.045 17.392 ( -0.000 -3.248 -0.000) 3.248 ======================= Grid point 344 (190/215) ======================= q-point: (-0.28 -0.72 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( -9.688 -0.000 0.000) 9.688 4.107 ( -4.761 -0.000 0.000) 4.761 4.637 ( 4.970 0.000 -0.000) 4.970 4.992 ( -31.120 -0.000 0.000) 31.120 5.417 ( -12.287 -0.000 0.000) 12.287 5.644 ( 2.645 0.000 -0.000) 2.645 5.693 ( 7.876 0.000 -0.000) 7.876 5.786 ( 8.107 0.000 -0.000) 8.107 5.847 ( -6.398 -0.000 0.000) 6.398 6.065 ( -10.994 -0.000 0.000) 10.994 6.145 ( 21.506 0.000 -0.000) 21.506 7.017 ( -5.256 -0.000 0.000) 5.256 7.269 ( -6.094 -0.000 0.000) 6.094 8.216 ( -21.572 -0.000 0.000) 21.572 8.421 ( -12.259 -0.000 0.000) 12.259 10.708 ( 0.879 0.000 -0.000) 0.879 10.790 ( 5.218 0.000 -0.000) 5.218 12.213 ( -5.662 -0.000 0.000) 5.662 12.720 ( 7.403 0.000 -0.000) 7.403 14.157 ( -0.222 -0.000 0.000) 0.222 14.281 ( 4.760 0.000 -0.000) 4.760 15.125 ( -1.987 -0.000 0.000) 1.987 15.155 ( 3.508 0.000 -0.000) 3.508 15.296 ( 6.162 0.000 -0.000) 6.162 16.206 ( 9.722 0.000 -0.000) 9.722 17.143 ( -1.840 -0.000 0.000) 1.840 17.173 ( -1.988 -0.000 0.000) 1.988 ======================= Grid point 346 (191/215) ======================= q-point: (-0.28 -0.47 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -33.398 0.000 -2.738) 33.510 2.081 ( -7.027 0.000 -13.288) 15.032 3.167 ( -31.686 0.000 7.104) 32.472 3.205 ( -25.910 0.000 6.426) 26.695 4.301 ( -47.627 0.000 -6.674) 48.092 4.753 ( -4.932 0.000 3.741) 6.190 5.089 ( -13.985 0.000 7.926) 16.075 5.364 ( -13.562 0.000 2.066) 13.719 5.552 ( 0.085 0.000 -12.761) 12.761 6.115 ( -12.477 0.000 -4.636) 13.311 6.199 ( -17.054 0.000 1.432) 17.114 6.272 ( 1.472 -0.000 12.785) 12.870 6.442 ( 0.953 0.000 -2.691) 2.855 6.816 ( 4.644 -0.000 -2.633) 5.338 7.404 ( 10.579 -0.000 -2.788) 10.940 9.823 ( -20.438 0.000 0.964) 20.461 10.876 ( -19.524 0.000 -1.401) 19.574 12.204 ( 20.820 -0.000 0.919) 20.840 13.875 ( -8.107 0.000 -0.065) 8.107 13.910 ( 15.369 -0.000 -1.497) 15.441 14.574 ( -10.356 0.000 0.053) 10.356 15.654 ( 22.273 -0.000 -0.116) 22.273 15.931 ( 0.522 0.000 -3.217) 3.259 16.120 ( 16.404 -0.000 0.042) 16.404 16.936 ( -1.067 0.000 -0.448) 1.157 16.980 ( -0.509 0.000 0.416) 0.657 17.138 ( 1.162 -0.000 7.972) 8.056 ======================= Grid point 353 (192/215) ======================= q-point: (-0.40 -0.60 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -9.861 -12.173 -0.000) 15.666 3.544 ( -28.537 -0.953 0.000) 28.553 3.942 ( -16.607 -11.117 -0.000) 19.984 4.452 ( -26.412 4.264 0.000) 26.754 4.779 ( -6.419 -2.288 0.000) 6.815 5.465 ( -9.858 0.901 0.000) 9.899 5.624 ( -5.057 5.197 0.000) 7.252 5.659 ( -2.885 4.995 0.000) 5.768 6.031 ( 3.202 3.801 0.000) 4.970 6.085 ( 6.396 -4.809 -0.000) 8.002 6.516 ( -1.121 9.136 0.000) 9.205 6.618 ( -31.938 0.155 0.000) 31.939 7.028 ( -24.859 -4.022 0.000) 25.182 7.042 ( 3.654 -8.981 -0.000) 9.696 7.444 ( -27.180 1.120 0.000) 27.203 10.492 ( -7.716 3.909 0.000) 8.650 11.306 ( 19.699 0.982 -0.000) 19.723 11.737 ( -17.949 -1.773 0.000) 18.036 13.254 ( 15.079 -1.378 -0.000) 15.142 14.187 ( -3.000 -7.572 -0.000) 8.145 14.803 ( 3.373 3.284 0.000) 4.708 14.887 ( 7.316 -2.943 -0.000) 7.886 15.488 ( 13.418 -0.645 -0.000) 13.433 15.766 ( 9.014 -6.791 -0.000) 11.286 16.668 ( 12.532 7.909 0.000) 14.819 16.980 ( -2.639 6.941 0.000) 7.426 16.994 ( -2.822 4.053 0.000) 4.939 ======================= Grid point 355 (193/215) ======================= q-point: (-0.40 -0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -8.814 -27.672 -9.361) 30.513 1.757 ( -20.624 -16.833 -14.235) 30.188 2.146 ( -13.664 -7.301 -5.203) 16.342 2.217 ( -17.193 -8.998 11.576) 22.596 2.722 ( -26.841 -27.470 -0.274) 38.407 4.600 ( 1.140 13.421 5.715) 14.632 4.794 ( -2.262 -0.056 10.019) 10.271 4.937 ( -4.286 6.647 1.065) 7.980 5.498 ( -0.833 3.925 -15.453) 15.966 5.548 ( -10.613 2.719 0.267) 10.959 5.608 ( -7.446 1.601 -0.834) 7.662 6.136 ( -0.395 12.295 10.080) 15.903 6.688 ( 3.425 -9.451 0.392) 10.060 7.239 ( 13.340 18.155 -4.735) 23.021 7.632 ( 3.447 7.960 -2.664) 9.074 9.391 ( -8.309 -23.485 1.332) 24.947 10.360 ( -6.339 -3.652 -2.357) 7.686 12.873 ( 10.331 2.237 -1.281) 10.648 13.636 ( -5.274 -7.821 -0.001) 9.433 14.125 ( -4.653 7.570 0.079) 8.886 14.296 ( 6.251 13.948 -1.398) 15.349 15.730 ( -6.487 -5.321 -0.378) 8.399 16.346 ( 6.324 2.958 -1.662) 7.176 16.468 ( -4.595 10.961 1.198) 11.945 16.853 ( -3.477 -2.709 5.045) 6.699 16.966 ( 2.575 -6.517 1.129) 7.098 17.014 ( 2.352 -3.779 0.802) 4.523 ======================= Grid point 362 (194/215) ======================= q-point: (-0.52 -0.48 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -8.968 -13.403 -0.000) 16.127 2.646 ( -22.328 -22.246 -0.000) 31.519 3.261 ( -27.084 -9.432 0.000) 28.680 3.477 ( -22.887 -15.940 -0.000) 27.891 4.424 ( -8.782 12.497 0.000) 15.274 4.752 ( -36.503 -6.481 0.000) 37.074 4.948 ( -13.769 15.187 0.000) 20.500 5.089 ( -8.083 1.638 0.000) 8.247 5.574 ( -7.530 1.460 0.000) 7.670 5.852 ( -2.174 6.988 0.000) 7.318 6.208 ( -18.570 -0.484 0.000) 18.576 6.215 ( -21.584 -2.425 0.000) 21.720 6.563 ( 8.959 -5.088 -0.000) 10.303 6.697 ( 5.820 3.001 -0.000) 6.548 7.322 ( 1.443 6.821 0.000) 6.972 10.289 ( -6.928 -20.466 -0.000) 21.607 10.979 ( -18.640 -2.523 0.000) 18.810 12.191 ( 21.217 -0.340 -0.000) 21.219 13.647 ( 7.917 13.814 0.000) 15.922 14.169 ( -7.970 -13.732 -0.000) 15.877 14.318 ( -9.082 9.803 0.000) 13.364 15.703 ( 12.285 -3.898 -0.000) 12.889 16.151 ( 11.080 2.054 -0.000) 11.269 16.157 ( 3.632 -5.805 -0.000) 6.847 16.678 ( 5.230 12.817 0.000) 13.843 16.824 ( 4.433 5.774 0.000) 7.279 16.895 ( 1.091 2.675 0.000) 2.889 ======================= Grid point 371 (195/215) ======================= q-point: (-0.64 -0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -18.109 -14.452 -0.000) 23.169 2.384 ( -6.608 -4.856 -0.000) 8.201 2.808 ( -8.933 -17.115 -0.000) 19.306 3.165 ( -5.451 -29.754 -0.000) 30.250 3.364 ( -17.413 11.106 0.000) 20.654 4.249 ( -1.588 -6.857 -0.000) 7.038 4.415 ( 0.762 13.137 0.000) 13.159 4.766 ( -4.948 4.353 0.000) 6.590 5.354 ( -3.128 2.288 0.000) 3.876 5.465 ( -12.891 -5.493 0.000) 14.013 5.544 ( -6.150 1.961 0.000) 6.455 5.827 ( -2.929 -7.855 -0.000) 8.383 6.848 ( 2.811 4.176 0.000) 5.034 6.962 ( -1.718 24.414 0.000) 24.474 6.992 ( 4.874 -4.142 -0.000) 6.396 10.444 ( -7.468 0.943 0.000) 7.528 10.799 ( -0.553 -40.182 -0.000) 40.186 12.859 ( 8.784 -1.168 -0.000) 8.861 13.353 ( 1.493 29.894 0.000) 29.931 13.810 ( -5.811 5.952 0.000) 8.318 14.210 ( -4.632 -18.441 -0.000) 19.014 15.806 ( -3.985 19.494 0.000) 19.897 15.925 ( 3.033 7.949 0.000) 8.508 16.161 ( -4.546 -5.182 -0.000) 6.893 16.829 ( 0.922 0.639 0.000) 1.122 17.191 ( 7.897 -2.565 -0.000) 8.303 17.212 ( 8.906 -4.722 -0.000) 10.081 ======================= Grid point 382 (196/215) ======================= q-point: (-0.31 -0.69 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -10.816 -0.000 0.000) 10.816 3.988 ( -6.927 -0.000 0.000) 6.927 4.301 ( -35.867 -0.000 0.000) 35.867 4.720 ( 2.753 0.000 -0.000) 2.753 5.077 ( -22.183 -0.000 0.000) 22.183 5.671 ( -6.344 -0.000 0.000) 6.344 5.707 ( -0.852 -0.000 0.000) 0.852 5.824 ( -10.207 -0.000 0.000) 10.207 5.872 ( 9.042 0.000 -0.000) 9.042 5.942 ( 6.883 0.000 -0.000) 6.883 6.551 ( 18.155 0.000 -0.000) 18.155 6.876 ( -8.515 -0.000 0.000) 8.515 7.070 ( -13.768 -0.000 0.000) 13.768 7.635 ( -33.698 -0.000 0.000) 33.698 8.030 ( -24.942 -0.000 0.000) 24.942 10.690 ( -3.643 -0.000 0.000) 3.643 10.978 ( 13.170 0.000 -0.000) 13.170 12.031 ( -12.197 -0.000 0.000) 12.197 12.931 ( 13.048 0.000 -0.000) 13.048 14.146 ( -1.020 -0.000 0.000) 1.020 14.445 ( 11.508 0.000 -0.000) 11.508 15.061 ( -4.310 -0.000 0.000) 4.310 15.270 ( 7.912 0.000 -0.000) 7.912 15.470 ( 10.175 0.000 -0.000) 10.175 16.460 ( 14.109 0.000 -0.000) 14.109 17.096 ( -2.653 -0.000 0.000) 2.653 17.118 ( -3.144 -0.000 0.000) 3.144 ======================= Grid point 384 (197/215) ======================= q-point: (-0.31 -0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -26.488 0.000 -5.178) 26.989 1.941 ( -7.955 0.000 -17.936) 19.622 2.577 ( -33.216 0.000 3.722) 33.424 2.584 ( -24.554 0.000 9.967) 26.500 3.257 ( -50.383 0.000 -3.788) 50.525 4.709 ( -0.142 -0.000 5.185) 5.186 4.877 ( -6.935 0.000 9.764) 11.976 5.140 ( -8.407 0.000 1.392) 8.521 5.551 ( -0.354 0.000 -16.580) 16.584 5.834 ( -13.301 0.000 -1.402) 13.374 5.863 ( -15.006 0.000 1.010) 15.040 6.292 ( 0.716 -0.000 16.612) 16.627 6.496 ( 2.943 0.000 -5.515) 6.251 7.058 ( 17.723 -0.000 -5.596) 18.585 7.592 ( 7.689 -0.000 -3.122) 8.298 9.426 ( -17.532 0.000 1.196) 17.573 10.526 ( -14.080 0.000 -1.855) 14.202 12.599 ( 17.473 -0.000 -0.301) 17.476 13.702 ( -8.353 0.000 -0.051) 8.353 14.198 ( 12.844 -0.000 -1.402) 12.920 14.369 ( -9.258 0.000 0.038) 9.258 15.872 ( -6.299 0.000 -3.578) 7.245 16.069 ( 17.585 -0.000 -0.085) 17.585 16.430 ( 13.324 -0.000 0.090) 13.324 16.917 ( -1.004 0.000 -0.009) 1.004 16.978 ( 0.170 -0.000 0.556) 0.581 17.053 ( -9.879 0.000 11.062) 14.831 ======================= Grid point 391 (198/215) ======================= q-point: (-0.43 -0.57 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( -7.600 -10.217 -0.000) 12.734 2.882 ( -33.336 -10.180 0.000) 34.856 3.635 ( -16.198 -7.881 0.000) 18.013 3.803 ( -33.790 -0.578 0.000) 33.795 4.690 ( -4.167 2.504 0.000) 4.861 5.252 ( -10.878 -0.896 0.000) 10.915 5.453 ( -23.815 5.712 0.000) 24.490 5.516 ( -11.324 8.373 0.000) 14.083 5.775 ( -23.171 -8.683 0.000) 24.745 6.055 ( -0.550 6.856 0.000) 6.878 6.330 ( 4.744 -0.951 -0.000) 4.839 6.450 ( -5.894 0.181 0.000) 5.897 6.598 ( -18.647 -1.554 0.000) 18.712 6.867 ( -16.643 5.155 0.000) 17.423 7.250 ( 6.851 -4.164 -0.000) 8.017 10.266 ( -13.958 -4.329 0.000) 14.614 11.334 ( -20.664 -2.203 0.000) 20.781 11.742 ( 22.208 0.440 -0.000) 22.212 13.565 ( 14.929 2.558 -0.000) 15.147 14.096 ( -5.836 -7.386 -0.000) 9.413 14.690 ( -8.160 8.116 0.000) 11.509 15.243 ( 20.424 -5.517 -0.000) 21.156 15.800 ( 16.505 -1.738 -0.000) 16.597 15.930 ( 6.659 -5.214 -0.000) 8.458 16.879 ( 7.426 9.470 0.000) 12.034 16.939 ( -1.258 5.857 0.000) 5.990 16.943 ( -1.932 3.350 0.000) 3.867 ======================= Grid point 393 (199/215) ======================= q-point: (-0.43 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.000 -14.534 -15.862) 21.514 1.400 ( -0.000 -43.724 -6.673) 44.231 2.000 ( -0.000 -13.946 12.222) 18.544 2.054 ( 0.000 -1.298 -12.897) 12.962 2.452 ( -0.000 -29.087 2.931) 29.235 4.622 ( -0.000 16.027 6.371) 17.246 4.774 ( -0.000 0.358 10.881) 10.886 4.891 ( 0.000 6.428 0.379) 6.440 5.427 ( 0.000 2.090 -0.120) 2.094 5.490 ( 0.000 4.046 -16.254) 16.750 5.531 ( 0.000 1.420 -0.795) 1.628 6.133 ( -0.000 12.822 10.630) 16.655 6.725 ( -0.000 -10.537 0.478) 10.548 7.398 ( 0.000 25.348 -2.976) 25.522 7.669 ( 0.000 8.578 -2.871) 9.045 9.304 ( -0.000 -25.098 1.361) 25.135 10.298 ( 0.000 -3.860 -2.405) 4.548 12.985 ( 0.000 3.646 -1.914) 4.118 13.580 ( -0.000 -7.982 0.019) 7.982 14.070 ( 0.000 7.332 0.018) 7.332 14.374 ( 0.000 17.919 -0.741) 17.934 15.644 ( -0.000 -9.618 0.204) 9.620 16.360 ( 0.000 8.252 -0.152) 8.253 16.421 ( 0.000 5.349 -0.819) 5.411 16.829 ( -0.000 -3.500 2.439) 4.266 16.998 ( -0.000 -8.823 1.134) 8.896 17.042 ( -0.000 -6.167 0.691) 6.206 ======================= Grid point 400 (200/215) ======================= q-point: (-0.55 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -16.076 -25.397 -0.000) 30.057 2.356 ( -6.871 -9.255 -0.000) 11.527 2.760 ( -21.342 -15.427 -0.000) 26.333 2.950 ( -26.558 -20.688 -0.000) 33.665 3.929 ( -35.625 -10.962 0.000) 37.273 4.325 ( -6.108 7.917 0.000) 9.999 4.744 ( -6.212 12.107 0.000) 13.607 4.928 ( -7.529 0.446 0.000) 7.542 5.491 ( -2.053 7.546 0.000) 7.821 5.761 ( -8.059 4.335 0.000) 9.151 5.800 ( -18.285 1.065 0.000) 18.316 5.910 ( -8.375 3.286 0.000) 8.996 6.734 ( 7.674 -6.726 -0.000) 10.204 6.841 ( 7.427 5.272 0.000) 9.108 7.357 ( 1.909 13.232 0.000) 13.369 10.135 ( -7.482 -30.173 -0.000) 31.087 10.646 ( -13.420 -2.241 0.000) 13.606 12.582 ( 16.467 -0.231 -0.000) 16.469 13.795 ( 6.319 19.210 0.000) 20.223 14.003 ( -7.834 -14.055 -0.000) 16.091 14.129 ( -9.013 9.660 0.000) 13.212 15.869 ( 3.877 -3.033 -0.000) 4.922 16.215 ( 1.895 0.720 -0.000) 2.027 16.251 ( -0.867 13.396 0.000) 13.424 16.805 ( 4.696 1.805 -0.000) 5.031 16.942 ( 5.304 -0.978 -0.000) 5.394 16.954 ( 7.831 -0.776 -0.000) 7.870 ======================= Grid point 409 (201/215) ======================= q-point: (-0.67 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -0.000 -12.488 -0.000) 12.488 2.317 ( -0.000 -2.646 -0.000) 2.646 2.708 ( -0.000 -19.981 -0.000) 19.981 3.117 ( -0.000 -32.873 -0.000) 32.873 3.179 ( 0.000 11.715 0.000) 11.715 4.240 ( -0.000 -9.750 -0.000) 9.750 4.428 ( 0.000 12.252 0.000) 12.252 4.709 ( 0.000 3.946 0.000) 3.946 5.285 ( 0.000 4.177 0.000) 4.177 5.361 ( -0.000 -5.047 -0.000) 5.047 5.479 ( 0.000 1.581 0.000) 1.581 5.798 ( -0.000 -7.784 -0.000) 7.784 6.875 ( 0.000 4.581 0.000) 4.581 6.948 ( 0.000 26.493 0.000) 26.493 7.044 ( -0.000 -3.816 -0.000) 3.816 10.367 ( 0.000 1.416 0.000) 1.416 10.791 ( -0.000 -42.266 -0.000) 42.266 12.950 ( -0.000 -1.089 -0.000) 1.089 13.370 ( 0.000 30.804 0.000) 30.804 13.748 ( 0.000 5.925 0.000) 5.925 14.161 ( -0.000 -18.560 -0.000) 18.560 15.762 ( 0.000 19.042 0.000) 19.042 15.967 ( 0.000 12.502 0.000) 12.502 16.099 ( -0.000 -9.131 -0.000) 9.131 16.838 ( 0.000 0.300 0.000) 0.300 17.274 ( -0.000 -2.978 -0.000) 2.978 17.306 ( -0.000 -5.347 -0.000) 5.347 ======================= Grid point 426 (202/215) ======================= q-point: (-0.34 -0.66 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -9.013 -0.000 0.000) 9.013 3.541 ( -37.900 -0.000 0.000) 37.900 3.816 ( -10.151 -0.000 0.000) 10.151 4.507 ( -32.332 -0.000 0.000) 32.332 4.745 ( -0.263 -0.000 0.000) 0.263 5.471 ( -10.748 -0.000 0.000) 10.748 5.687 ( -3.439 -0.000 0.000) 3.439 5.717 ( -1.217 -0.000 0.000) 1.217 6.022 ( 2.650 0.000 -0.000) 2.650 6.060 ( 4.469 0.000 -0.000) 4.469 6.622 ( -31.520 -0.000 0.000) 31.520 6.675 ( -10.566 -0.000 0.000) 10.566 6.893 ( 15.356 0.000 -0.000) 15.356 6.985 ( -24.426 -0.000 0.000) 24.426 7.457 ( -29.136 -0.000 0.000) 29.136 10.534 ( -11.683 -0.000 0.000) 11.683 11.317 ( 19.378 0.000 -0.000) 19.378 11.717 ( -18.143 -0.000 0.000) 18.143 13.240 ( 16.593 0.000 -0.000) 16.593 14.108 ( -2.926 -0.000 0.000) 2.926 14.754 ( 18.361 0.000 -0.000) 18.361 14.947 ( -6.707 -0.000 0.000) 6.707 15.482 ( 12.741 0.000 -0.000) 12.741 15.686 ( 10.373 0.000 -0.000) 10.373 16.746 ( 12.955 0.000 -0.000) 12.955 17.040 ( -2.560 -0.000 0.000) 2.560 17.053 ( -3.059 -0.000 0.000) 3.059 ======================= Grid point 428 (203/215) ======================= q-point: (-0.34 -0.41 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -16.182 0.000 -9.178) 18.604 1.575 ( -29.323 0.000 -15.326) 33.087 2.072 ( -13.599 0.000 -0.443) 13.606 2.187 ( -13.642 0.000 13.048) 18.877 2.369 ( -31.197 0.000 -7.845) 32.168 4.748 ( 3.374 -0.000 5.851) 6.754 4.794 ( -1.417 -0.000 11.699) 11.785 5.010 ( -4.514 0.000 1.106) 4.648 5.538 ( -0.750 0.000 -19.270) 19.284 5.578 ( -10.960 0.000 0.343) 10.966 5.627 ( -7.680 0.000 -0.504) 7.696 6.305 ( 0.537 -0.000 19.185) 19.193 6.544 ( 1.707 0.000 -6.408) 6.631 7.486 ( 21.480 -0.000 -3.169) 21.713 7.713 ( 4.031 -0.000 -3.232) 5.167 9.136 ( -10.098 0.000 1.326) 10.185 10.310 ( -6.985 0.000 -2.229) 7.332 12.905 ( 11.842 -0.000 -1.947) 12.001 13.555 ( -5.432 0.000 -0.012) 5.432 14.213 ( -5.550 0.000 0.014) 5.550 14.442 ( 10.976 -0.000 -0.865) 11.010 15.689 ( -10.630 0.000 -0.889) 10.667 16.353 ( 9.660 -0.000 -0.047) 9.660 16.647 ( 7.447 -0.000 0.110) 7.448 16.709 ( -19.491 0.000 8.341) 21.201 16.924 ( -0.462 0.000 -1.070) 1.165 16.984 ( 0.308 -0.000 0.681) 0.747 ======================= Grid point 435 (204/215) ======================= q-point: (-0.46 -0.54 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -28.786 -16.399 0.000) 33.129 2.301 ( -5.409 -7.688 -0.000) 9.400 3.123 ( -31.798 -3.536 0.000) 31.994 3.219 ( -25.067 -8.648 0.000) 26.516 4.510 ( -36.412 -10.110 0.000) 37.789 4.657 ( -17.782 5.718 0.000) 18.679 5.016 ( -11.989 -2.217 0.000) 12.192 5.251 ( -12.380 9.040 0.000) 15.329 5.656 ( 0.410 4.723 0.000) 4.740 6.020 ( -3.419 7.636 0.000) 8.367 6.183 ( -17.817 -1.058 0.000) 17.849 6.197 ( -15.432 -1.020 0.000) 15.465 6.488 ( 5.787 -2.084 -0.000) 6.150 6.780 ( 6.021 4.720 0.000) 7.651 7.411 ( 7.872 2.231 -0.000) 8.182 9.945 ( -16.633 -12.346 -0.000) 20.714 10.921 ( -18.950 -2.713 0.000) 19.144 12.191 ( 21.166 0.236 -0.000) 21.167 13.855 ( 13.174 6.709 -0.000) 14.784 13.951 ( -8.087 -7.305 -0.000) 10.898 14.504 ( -9.648 6.912 0.000) 11.868 15.647 ( 17.105 -0.752 -0.000) 17.122 16.038 ( 4.563 -5.625 -0.000) 7.243 16.140 ( 15.920 -1.608 -0.000) 16.001 16.909 ( -1.107 5.171 0.000) 5.288 16.931 ( 0.412 4.118 0.000) 4.139 16.965 ( 0.503 6.488 0.000) 6.508 ======================= Grid point 444 (205/215) ======================= q-point: (-0.58 -0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -12.323 -19.602 -0.000) 23.154 2.246 ( -3.645 -6.290 -0.000) 7.269 2.402 ( -13.059 -20.180 -0.000) 24.037 2.500 ( -14.920 -33.502 -0.000) 36.674 3.314 ( -22.177 -21.997 -0.000) 31.236 4.243 ( -2.373 12.161 0.000) 12.391 4.676 ( -0.884 8.756 0.000) 8.801 4.788 ( -5.807 0.974 0.000) 5.888 5.458 ( -3.167 7.723 0.000) 8.347 5.501 ( -8.445 6.264 0.000) 10.515 5.583 ( -6.933 1.839 0.000) 7.173 5.822 ( -2.169 6.027 0.000) 6.406 6.867 ( 4.869 -7.831 -0.000) 9.221 6.976 ( 5.154 9.971 0.000) 11.224 7.395 ( 1.608 17.215 0.000) 17.290 10.006 ( -4.631 -36.128 -0.000) 36.423 10.441 ( -6.536 -1.438 0.000) 6.692 12.849 ( 9.200 0.543 -0.000) 9.216 13.867 ( -4.943 -14.482 -0.000) 15.303 13.897 ( 3.244 21.123 0.000) 21.370 13.971 ( -5.643 11.105 0.000) 12.457 15.890 ( -0.774 -8.732 -0.000) 8.766 16.177 ( -4.702 16.106 0.000) 16.778 16.236 ( 0.407 9.457 0.000) 9.466 16.839 ( 0.187 0.008 -0.000) 0.187 17.092 ( 6.719 -6.888 -0.000) 9.622 17.109 ( 6.215 -5.260 -0.000) 8.142 ======================= Grid point 465 (206/215) ======================= q-point: (-0.38 -0.63 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -6.393 -0.000 0.000) 6.393 2.769 ( -36.880 -0.000 0.000) 36.880 3.554 ( -16.023 -0.000 0.000) 16.023 3.803 ( -35.351 -0.000 0.000) 35.351 4.710 ( -3.230 -0.000 0.000) 3.230 5.240 ( -11.817 -0.000 0.000) 11.817 5.528 ( -47.317 -0.000 0.000) 47.317 5.607 ( -10.144 -0.000 0.000) 10.144 5.665 ( 0.884 0.000 -0.000) 0.884 6.120 ( 1.312 0.000 -0.000) 1.312 6.320 ( 1.483 0.000 -0.000) 1.483 6.462 ( -10.890 -0.000 0.000) 10.890 6.586 ( -16.413 -0.000 0.000) 16.413 6.941 ( -17.645 -0.000 0.000) 17.645 7.184 ( 13.122 0.000 -0.000) 13.122 10.221 ( -18.334 -0.000 0.000) 18.334 11.309 ( -20.953 -0.000 0.000) 20.953 11.747 ( 21.985 0.000 -0.000) 21.985 13.590 ( 17.106 0.000 -0.000) 17.106 14.020 ( -5.726 -0.000 0.000) 5.726 14.778 ( -9.206 -0.000 0.000) 9.206 15.187 ( 22.636 0.000 -0.000) 22.636 15.781 ( 16.059 0.000 -0.000) 16.059 15.872 ( 7.267 0.000 -0.000) 7.267 16.944 ( 3.843 0.000 -0.000) 3.843 17.001 ( -1.904 -0.000 0.000) 1.904 17.013 ( 1.821 0.000 -0.000) 1.821 ======================= Grid point 467 (207/215) ======================= q-point: (-0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.000 -0.000 -12.050) 12.050 1.165 ( 0.000 -0.000 -18.436) 18.436 1.849 ( -0.000 0.000 13.595) 13.595 2.044 ( -0.000 0.000 14.505) 14.505 2.126 ( 0.000 -0.000 -23.721) 23.721 4.769 ( -0.000 0.000 11.479) 11.479 4.821 ( -0.000 0.000 8.487) 8.487 4.957 ( 0.000 -0.000 -0.076) 0.076 5.450 ( 0.000 -0.000 -0.004) 0.004 5.528 ( 0.000 -0.000 -20.134) 20.134 5.547 ( 0.000 -0.000 -0.546) 0.546 6.312 ( -0.000 0.000 19.984) 19.984 6.562 ( 0.000 -0.000 -6.709) 6.709 7.754 ( -0.000 0.000 2.668) 2.668 7.755 ( 0.000 -0.000 -3.244) 3.244 9.030 ( -0.000 0.000 1.365) 1.365 10.239 ( 0.000 -0.000 -2.381) 2.381 13.040 ( 0.000 -0.000 -2.620) 2.620 13.497 ( -0.000 0.000 0.010) 0.010 14.155 ( -0.000 0.000 0.002) 0.002 14.589 ( -0.000 0.000 1.419) 1.419 15.536 ( -0.000 0.000 0.232) 0.232 16.446 ( 0.000 -0.000 -0.154) 0.154 16.453 ( 0.000 -0.000 -0.030) 0.030 16.724 ( -0.000 0.000 0.115) 0.115 16.922 ( 0.000 -0.000 -1.245) 1.245 16.987 ( -0.000 0.000 0.728) 0.728 ======================= Grid point 474 (208/215) ======================= q-point: (-0.49 -0.51 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -19.537 -23.046 -0.000) 30.213 2.207 ( -4.186 -5.457 -0.000) 6.878 2.528 ( -25.603 -6.106 0.000) 26.321 2.615 ( -32.817 -11.247 0.000) 34.691 3.540 ( -46.124 -19.569 0.000) 50.104 4.555 ( -2.051 9.716 0.000) 9.930 4.798 ( -8.328 -2.194 0.000) 8.612 5.047 ( -7.727 7.506 0.000) 10.773 5.683 ( 1.550 8.951 0.000) 9.084 5.831 ( -12.721 2.241 0.000) 12.917 5.831 ( -15.648 1.440 0.000) 15.714 6.012 ( -3.804 4.576 0.000) 5.950 6.605 ( 5.299 -5.168 -0.000) 7.402 6.995 ( 13.560 8.881 0.000) 16.209 7.557 ( 6.170 6.394 0.000) 8.886 9.618 ( -14.496 -18.981 -0.000) 23.884 10.585 ( -13.381 -3.237 0.000) 13.767 12.590 ( 17.409 0.871 -0.000) 17.431 13.780 ( -8.213 -7.490 -0.000) 11.115 14.093 ( 9.433 10.357 0.000) 14.009 14.314 ( -7.941 6.527 0.000) 10.279 15.833 ( -0.100 1.647 0.000) 1.650 16.185 ( 10.149 -5.030 -0.000) 11.327 16.413 ( 9.379 2.838 -0.000) 9.799 16.866 ( -4.440 3.271 0.000) 5.515 16.941 ( -0.447 1.052 0.000) 1.143 16.956 ( 1.992 0.929 -0.000) 2.198 ======================= Grid point 483 (209/215) ======================= q-point: (-0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -0.000 -15.209 -0.000) 15.209 2.214 ( -0.000 -4.642 -0.000) 4.642 2.255 ( -0.000 -23.054 -0.000) 23.054 2.356 ( -0.000 -41.243 -0.000) 41.243 3.080 ( -0.000 -25.777 -0.000) 25.777 4.220 ( 0.000 13.323 0.000) 13.323 4.689 ( 0.000 12.071 0.000) 12.071 4.706 ( -0.000 -3.001 -0.000) 3.001 5.369 ( 0.000 3.693 0.000) 3.693 5.468 ( 0.000 11.992 0.000) 11.992 5.510 ( 0.000 1.500 0.000) 1.500 5.800 ( 0.000 6.311 0.000) 6.311 6.919 ( -0.000 -8.153 -0.000) 8.153 7.032 ( 0.000 12.541 0.000) 12.541 7.413 ( 0.000 18.540 0.000) 18.540 9.957 ( -0.000 -38.129 -0.000) 38.129 10.375 ( -0.000 -0.921 -0.000) 0.921 12.945 ( 0.000 1.106 0.000) 1.106 13.814 ( -0.000 -14.682 -0.000) 14.682 13.899 ( 0.000 8.486 0.000) 8.486 13.942 ( 0.000 24.979 0.000) 24.979 15.876 ( -0.000 -12.049 -0.000) 12.049 16.119 ( 0.000 15.161 0.000) 15.161 16.239 ( 0.000 12.739 0.000) 12.739 16.840 ( -0.000 -0.354 -0.000) 0.354 17.166 ( -0.000 -8.419 -0.000) 8.419 17.177 ( -0.000 -6.500 -0.000) 6.500 ======================= Grid point 510 (210/215) ======================= q-point: (-0.41 -0.59 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -32.457 -0.000 0.000) 32.457 2.220 ( -4.039 -0.000 0.000) 4.039 3.095 ( -32.965 -0.000 0.000) 32.965 3.131 ( -25.859 -0.000 0.000) 25.859 4.377 ( -47.573 -0.000 0.000) 47.573 4.727 ( -9.787 -0.000 0.000) 9.787 4.988 ( -12.313 -0.000 0.000) 12.313 5.348 ( -12.927 -0.000 0.000) 12.927 5.710 ( 3.220 0.000 -0.000) 3.220 6.114 ( -1.711 -0.000 0.000) 1.711 6.171 ( -15.808 -0.000 0.000) 15.808 6.172 ( -16.465 -0.000 0.000) 16.465 6.469 ( 3.564 0.000 -0.000) 3.564 6.841 ( 6.442 0.000 -0.000) 6.442 7.430 ( 10.791 0.000 -0.000) 10.791 9.814 ( -20.571 -0.000 0.000) 20.571 10.889 ( -19.303 -0.000 0.000) 19.303 12.195 ( 21.271 0.000 -0.000) 21.271 13.876 ( -8.104 -0.000 0.000) 8.104 13.924 ( 15.285 0.000 -0.000) 15.285 14.574 ( -10.353 -0.000 0.000) 10.353 15.655 ( 22.266 0.000 -0.000) 22.266 15.965 ( 1.300 0.000 -0.000) 1.300 16.119 ( 16.372 0.000 -0.000) 16.372 16.941 ( -1.160 -0.000 0.000) 1.160 16.975 ( -0.607 -0.000 0.000) 0.607 17.058 ( -0.819 -0.000 0.000) 0.819 ======================= Grid point 519 (211/215) ======================= q-point: (-0.52 -0.48 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -6.553 -29.393 -0.000) 30.114 1.951 ( -29.471 -16.641 0.000) 33.845 2.031 ( -15.853 -11.302 -0.000) 19.470 2.173 ( -6.110 -5.107 -0.000) 7.963 2.757 ( -27.027 -24.636 -0.000) 36.570 4.545 ( 0.853 13.161 0.000) 13.189 4.683 ( -3.197 -1.799 0.000) 3.669 4.928 ( -3.914 6.910 0.000) 7.941 5.545 ( -10.463 2.644 0.000) 10.792 5.617 ( -7.486 1.352 0.000) 7.608 5.726 ( 1.306 11.176 0.000) 11.252 5.951 ( -2.234 4.454 0.000) 4.983 6.697 ( 3.400 -7.725 -0.000) 8.440 7.279 ( 12.329 17.792 0.000) 21.646 7.658 ( 3.600 8.509 0.000) 9.239 9.378 ( -8.338 -23.492 -0.000) 24.927 10.383 ( -6.245 -3.762 -0.000) 7.291 12.886 ( 10.885 2.786 -0.000) 11.236 13.636 ( -5.293 -7.812 -0.000) 9.436 14.125 ( -4.593 7.615 0.000) 8.892 14.309 ( 5.836 13.668 0.000) 14.862 15.733 ( -7.035 -4.924 -0.000) 8.586 16.366 ( 6.261 1.746 -0.000) 6.500 16.452 ( -5.298 10.798 0.000) 12.028 16.797 ( -0.440 -5.485 -0.000) 5.502 16.965 ( 2.043 -3.815 -0.000) 4.328 17.006 ( 2.499 -3.638 -0.000) 4.414 ======================= Grid point 550 (212/215) ======================= q-point: (-0.44 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -24.692 -0.000 0.000) 24.692 2.148 ( -3.800 -0.000 0.000) 3.800 2.481 ( -26.312 -0.000 0.000) 26.312 2.500 ( -34.708 -0.000 0.000) 34.708 3.311 ( -50.602 -0.000 0.000) 50.602 4.659 ( -0.406 -0.000 0.000) 0.406 4.772 ( -8.028 -0.000 0.000) 8.028 5.128 ( -8.365 -0.000 0.000) 8.365 5.785 ( 3.786 0.000 -0.000) 3.786 5.847 ( -15.048 -0.000 0.000) 15.048 5.854 ( -13.676 -0.000 0.000) 13.676 6.059 ( -3.382 -0.000 0.000) 3.382 6.549 ( 3.546 0.000 -0.000) 3.546 7.109 ( 18.150 0.000 -0.000) 18.150 7.622 ( 7.782 0.000 -0.000) 7.782 9.414 ( -17.617 -0.000 0.000) 17.617 10.545 ( -13.872 -0.000 0.000) 13.872 12.603 ( 18.235 0.000 -0.000) 18.235 13.702 ( -8.369 -0.000 0.000) 8.369 14.212 ( 12.791 0.000 -0.000) 12.791 14.369 ( -9.246 -0.000 0.000) 9.246 15.909 ( -6.951 -0.000 0.000) 6.951 16.070 ( 17.565 0.000 -0.000) 17.565 16.429 ( 13.308 0.000 -0.000) 13.308 16.897 ( -6.372 -0.000 0.000) 6.372 16.966 ( -4.921 -0.000 0.000) 4.921 16.971 ( 0.067 0.000 -0.000) 0.067 ======================= Grid point 559 (213/215) ======================= q-point: (-0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -0.000 -42.252 -0.000) 42.252 1.539 ( -0.000 -10.602 -0.000) 10.602 1.826 ( -0.000 -17.089 -0.000) 17.089 2.106 ( -0.000 -10.424 -0.000) 10.424 2.495 ( -0.000 -19.972 -0.000) 19.972 4.562 ( 0.000 15.530 0.000) 15.530 4.653 ( -0.000 -1.437 -0.000) 1.437 4.887 ( 0.000 6.802 0.000) 6.802 5.429 ( 0.000 2.035 0.000) 2.035 5.539 ( 0.000 1.189 0.000) 1.189 5.741 ( 0.000 12.283 0.000) 12.283 5.927 ( 0.000 4.060 0.000) 4.060 6.734 ( -0.000 -8.843 -0.000) 8.843 7.419 ( 0.000 23.028 0.000) 23.028 7.698 ( 0.000 9.194 0.000) 9.194 9.291 ( -0.000 -25.114 -0.000) 25.114 10.322 ( -0.000 -4.023 -0.000) 4.023 13.005 ( 0.000 4.336 0.000) 4.336 13.579 ( -0.000 -7.974 -0.000) 7.974 14.070 ( 0.000 7.344 0.000) 7.344 14.380 ( 0.000 17.105 0.000) 17.105 15.642 ( -0.000 -9.641 -0.000) 9.641 16.362 ( 0.000 8.254 0.000) 8.254 16.430 ( 0.000 4.670 0.000) 4.670 16.802 ( -0.000 -4.220 -0.000) 4.220 16.992 ( -0.000 -6.512 -0.000) 6.512 17.036 ( -0.000 -5.871 -0.000) 5.871 ======================= Grid point 596 (214/215) ======================= q-point: (-0.47 -0.53 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -13.775 -0.000 0.000) 13.775 1.792 ( -31.085 -0.000 0.000) 31.085 1.953 ( -19.574 -0.000 0.000) 19.574 2.047 ( -15.229 -0.000 0.000) 15.229 2.509 ( -20.441 -0.000 0.000) 20.441 4.666 ( -2.677 -0.000 0.000) 2.677 4.692 ( 3.204 0.000 -0.000) 3.204 5.001 ( -4.163 -0.000 0.000) 4.163 5.575 ( -10.851 -0.000 0.000) 10.851 5.632 ( -7.646 -0.000 0.000) 7.646 5.852 ( 2.530 0.000 -0.000) 2.530 5.992 ( -2.690 -0.000 0.000) 2.690 6.607 ( 1.993 0.000 -0.000) 1.993 7.511 ( 18.387 0.000 -0.000) 18.387 7.744 ( 4.048 0.000 -0.000) 4.048 9.123 ( -10.136 -0.000 0.000) 10.136 10.332 ( -6.847 -0.000 0.000) 6.847 12.925 ( 12.530 0.000 -0.000) 12.530 13.555 ( -5.451 -0.000 0.000) 5.451 14.213 ( -5.539 -0.000 0.000) 5.539 14.449 ( 10.131 0.000 -0.000) 10.131 15.696 ( -12.274 -0.000 0.000) 12.274 16.353 ( 9.645 0.000 -0.000) 9.645 16.633 ( -14.889 -0.000 0.000) 14.889 16.646 ( 7.442 0.000 -0.000) 7.442 16.937 ( -0.189 -0.000 0.000) 0.189 16.975 ( 0.248 0.000 -0.000) 0.248 ======================= Grid point 637 (215/215) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -0.000 0.000 -0.000) 0.000 1.423 ( 0.000 -0.000 -0.001) 0.001 1.636 ( -0.000 -0.000 0.000) 0.000 1.886 ( -0.000 0.000 -0.000) 0.000 2.366 ( -0.000 0.000 -0.000) 0.000 4.642 ( 0.000 -0.000 0.000) 0.000 4.741 ( -0.000 -0.000 -0.000) 0.000 4.958 ( 0.000 0.000 -0.000) 0.000 5.450 ( 0.000 -0.000 -0.000) 0.000 5.552 ( -0.000 0.000 -0.000) 0.000 5.879 ( -0.000 0.000 -0.000) 0.000 5.963 ( -0.000 0.000 0.000) 0.000 6.628 ( 0.000 -0.000 -0.000) 0.000 7.727 ( -0.000 -0.000 -0.000) 0.000 7.785 ( -0.000 0.000 -0.000) 0.000 9.017 ( -0.000 -0.000 -0.000) 0.000 10.262 ( 0.000 -0.000 -0.000) 0.000 13.066 ( 0.000 -0.000 -0.000) 0.000 13.497 ( -0.000 0.000 0.000) 0.000 14.155 ( -0.000 -0.000 -0.000) 0.000 14.574 ( -0.000 -0.000 -0.000) 0.000 15.533 ( -0.000 0.000 -0.000) 0.000 16.447 ( -0.000 0.000 -0.000) 0.000 16.453 ( 0.000 -0.000 -0.000) 0.000 16.723 ( 0.000 -0.000 -0.000) 0.000 16.936 ( -0.000 -0.000 -0.000) 0.000 16.978 ( -0.000 -0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/31104 10.0 992.954 723.142 752.995 0.000 -0.000 0.000 3/31104 20.0 692.404 634.133 385.664 0.000 -0.000 0.000 3/31104 30.0 497.607 449.593 212.234 0.000 -0.000 0.000 3/31104 40.0 341.866 298.178 118.843 0.000 -0.000 0.000 3/31104 50.0 247.715 207.315 71.957 0.000 -0.000 0.000 3/31104 60.0 192.874 154.844 48.361 0.000 -0.000 0.000 3/31104 70.0 157.922 122.451 35.461 0.000 -0.000 0.000 3/31104 80.0 133.575 100.859 27.703 0.000 -0.000 0.000 3/31104 90.0 115.499 85.520 22.634 0.000 -0.000 0.000 3/31104 100.0 101.494 74.085 19.098 0.000 -0.000 0.000 3/31104 110.0 90.324 65.247 16.502 0.000 -0.000 0.000 3/31104 120.0 81.226 58.227 14.521 0.000 -0.000 0.000 3/31104 130.0 73.695 52.531 12.962 0.000 -0.000 0.000 3/31104 140.0 67.378 47.828 11.704 0.000 -0.000 0.000 3/31104 150.0 62.019 43.888 10.669 0.000 -0.000 0.000 3/31104 160.0 57.427 40.546 9.803 0.000 -0.000 0.000 3/31104 170.0 53.455 37.679 9.069 0.000 -0.000 0.000 3/31104 180.0 49.992 35.196 8.438 0.000 -0.000 0.000 3/31104 190.0 46.948 33.026 7.891 0.000 -0.000 0.000 3/31104 200.0 44.256 31.114 7.412 0.000 -0.000 0.000 3/31104 210.0 41.859 29.418 6.989 0.000 -0.000 0.000 3/31104 220.0 39.711 27.903 6.613 0.000 -0.000 0.000 3/31104 230.0 37.777 26.541 6.276 0.000 -0.000 0.000 3/31104 240.0 36.026 25.311 5.973 0.000 -0.000 0.000 3/31104 250.0 34.435 24.194 5.698 0.000 -0.000 0.000 3/31104 260.0 32.981 23.175 5.449 0.000 -0.000 0.000 3/31104 270.0 31.649 22.242 5.221 0.000 -0.000 0.000 3/31104 280.0 30.422 21.384 5.012 0.000 -0.000 0.000 3/31104 290.0 29.290 20.592 4.819 0.000 -0.000 0.000 3/31104 300.0 28.242 19.859 4.642 0.000 -0.000 0.000 3/31104 310.0 27.268 19.178 4.477 0.000 -0.000 0.000 3/31104 320.0 26.361 18.544 4.324 0.000 -0.000 0.000 3/31104 330.0 25.514 17.951 4.181 0.000 -0.000 0.000 3/31104 340.0 24.721 17.397 4.048 0.000 -0.000 0.000 3/31104 350.0 23.977 16.877 3.923 0.000 -0.000 0.000 3/31104 360.0 23.278 16.388 3.806 0.000 -0.000 0.000 3/31104 370.0 22.620 15.928 3.696 0.000 -0.000 0.000 3/31104 380.0 21.999 15.493 3.592 0.000 -0.000 0.000 3/31104 390.0 21.412 15.082 3.494 0.000 -0.000 0.000 3/31104 400.0 20.856 14.693 3.401 0.000 -0.000 0.000 3/31104 410.0 20.329 14.324 3.314 0.000 -0.000 0.000 3/31104 420.0 19.829 13.974 3.230 0.000 -0.000 0.000 3/31104 430.0 19.353 13.641 3.151 0.000 -0.000 0.000 3/31104 440.0 18.900 13.323 3.076 0.000 -0.000 0.000 3/31104 450.0 18.468 13.021 3.005 0.000 -0.000 0.000 3/31104 460.0 18.056 12.732 2.936 0.000 -0.000 0.000 3/31104 470.0 17.662 12.456 2.871 0.000 -0.000 0.000 3/31104 480.0 17.286 12.191 2.809 0.000 -0.000 0.000 3/31104 490.0 16.925 11.939 2.749 0.000 -0.000 0.000 3/31104 500.0 16.580 11.696 2.692 0.000 -0.000 0.000 3/31104 510.0 16.248 11.463 2.637 0.000 -0.000 0.000 3/31104 520.0 15.930 11.240 2.585 0.000 -0.000 0.000 3/31104 530.0 15.624 11.025 2.535 0.000 -0.000 0.000 3/31104 540.0 15.330 10.819 2.486 0.000 -0.000 0.000 3/31104 550.0 15.047 10.620 2.440 0.000 -0.000 0.000 3/31104 560.0 14.775 10.428 2.395 0.000 -0.000 0.000 3/31104 570.0 14.512 10.244 2.352 0.000 -0.000 0.000 3/31104 580.0 14.258 10.066 2.310 0.000 -0.000 0.000 3/31104 590.0 14.014 9.894 2.270 0.000 -0.000 0.000 3/31104 600.0 13.778 9.727 2.231 0.000 -0.000 0.000 3/31104 610.0 13.549 9.567 2.194 0.000 -0.000 0.000 3/31104 620.0 13.329 9.412 2.157 0.000 -0.000 0.000 3/31104 630.0 13.115 9.261 2.122 0.000 -0.000 0.000 3/31104 640.0 12.908 9.116 2.088 0.000 -0.000 0.000 3/31104 650.0 12.708 8.975 2.056 0.000 -0.000 0.000 3/31104 660.0 12.514 8.838 2.024 0.000 -0.000 0.000 3/31104 670.0 12.326 8.706 1.993 0.000 -0.000 0.000 3/31104 680.0 12.143 8.577 1.963 0.000 -0.000 0.000 3/31104 690.0 11.966 8.453 1.934 0.000 -0.000 0.000 3/31104 700.0 11.794 8.332 1.906 0.000 -0.000 0.000 3/31104 710.0 11.627 8.214 1.879 0.000 -0.000 0.000 3/31104 720.0 11.465 8.100 1.852 0.000 -0.000 0.000 3/31104 730.0 11.307 7.988 1.827 0.000 -0.000 0.000 3/31104 740.0 11.154 7.880 1.802 0.000 -0.000 0.000 3/31104 750.0 11.004 7.775 1.777 0.000 -0.000 0.000 3/31104 760.0 10.859 7.673 1.753 0.000 -0.000 0.000 3/31104 770.0 10.717 7.573 1.730 0.000 -0.000 0.000 3/31104 780.0 10.580 7.476 1.708 0.000 -0.000 0.000 3/31104 790.0 10.445 7.381 1.686 0.000 -0.000 0.000 3/31104 800.0 10.314 7.289 1.665 0.000 -0.000 0.000 3/31104 810.0 10.187 7.199 1.644 0.000 -0.000 0.000 3/31104 820.0 10.062 7.111 1.624 0.000 -0.000 0.000 3/31104 830.0 9.941 7.025 1.604 0.000 -0.000 0.000 3/31104 840.0 9.822 6.942 1.585 0.000 -0.000 0.000 3/31104 850.0 9.706 6.860 1.566 0.000 -0.000 0.000 3/31104 860.0 9.593 6.780 1.547 0.000 -0.000 0.000 3/31104 870.0 9.483 6.702 1.529 0.000 -0.000 0.000 3/31104 880.0 9.375 6.626 1.512 0.000 -0.000 0.000 3/31104 890.0 9.270 6.552 1.495 0.000 -0.000 0.000 3/31104 900.0 9.167 6.479 1.478 0.000 -0.000 0.000 3/31104 910.0 9.066 6.408 1.461 0.000 -0.000 0.000 3/31104 920.0 8.967 6.338 1.445 0.000 -0.000 0.000 3/31104 930.0 8.871 6.270 1.430 0.000 -0.000 0.000 3/31104 940.0 8.777 6.204 1.414 0.000 -0.000 0.000 3/31104 950.0 8.684 6.139 1.399 0.000 -0.000 0.000 3/31104 960.0 8.594 6.075 1.385 0.000 -0.000 0.000 3/31104 970.0 8.505 6.012 1.370 0.000 -0.000 0.000 3/31104 980.0 8.418 5.951 1.356 0.000 -0.000 0.000 3/31104 990.0 8.333 5.891 1.343 0.000 -0.000 0.000 3/31104 1000.0 8.250 5.832 1.329 0.000 -0.000 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m14288.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:28:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|