----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:22:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.427695940000000 -5.885211055000000 0.000000000000000 b 2.427695940000000 5.885211055000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.428355889999999 Atomic positions (fractional): *1 O 0.10334353369589 0.89665646630411 0.49580853010620 15.999 2 O 0.89665646630411 0.10334353369589 0.50419146989380 15.999 3 O 0.10334353369589 0.89665646630411 0.00419146989380 15.999 4 O 0.89665646630411 0.10334353369589 0.99580853010620 15.999 *5 Cu 0.00225018482116 0.99774981517884 0.75000000000000 63.546 6 Cu 0.99774981517884 0.00225018482116 0.25000000000000 63.546 *7 Rb 0.68969679180456 0.31030320819544 0.25000000000000 85.468 8 Rb 0.31030320819544 0.68969679180456 0.75000000000000 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.855391880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.770422110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.428355889999999 Atomic positions (fractional): *1 O 0.00000000000000 0.89665646630411 0.49580853010620 15.999 > 1 2 O 0.50000000000000 0.60334353369589 0.50419146989380 15.999 > 2 3 O 0.00000000000000 0.89665646630411 0.00419146989380 15.999 > 3 4 O 0.50000000000000 0.60334353369589 0.99580853010620 15.999 > 4 5 O 0.50000000000000 0.39665646630411 0.49580853010620 15.999 > 1 6 O 0.00000000000000 0.10334353369589 0.50419146989380 15.999 > 2 7 O 0.50000000000000 0.39665646630411 0.00419146989380 15.999 > 3 8 O 0.00000000000000 0.10334353369589 0.99580853010620 15.999 > 4 *9 Cu 0.00000000000000 0.99774981517884 0.75000000000000 63.546 > 5 10 Cu 0.50000000000000 0.50225018482116 0.25000000000000 63.546 > 6 11 Cu 0.50000000000000 0.49774981517884 0.75000000000000 63.546 > 5 12 Cu 0.00000000000000 0.00225018482116 0.25000000000000 63.546 > 6 *13 Rb 0.50000000000000 0.81030320819544 0.25000000000000 85.468 > 7 14 Rb 0.00000000000000 0.68969679180456 0.75000000000000 85.468 > 8 15 Rb 0.00000000000000 0.31030320819544 0.25000000000000 85.468 > 7 16 Rb 0.50000000000000 0.18969679180456 0.75000000000000 85.468 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.566175640000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.770422110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.285067669999997 Atomic positions (fractional): *1 O 0.00000000000000 0.89665646630411 0.16526951003540 15.999 > 1 2 O 0.33333333333333 0.89665646630411 0.16526951003540 15.999 > 1 3 O 0.66666666666667 0.89665646630411 0.16526951003540 15.999 > 1 4 O 0.00000000000000 0.89665646630411 0.49860284336873 15.999 > 1 5 O 0.33333333333333 0.89665646630411 0.49860284336873 15.999 > 1 6 O 0.66666666666667 0.89665646630411 0.49860284336873 15.999 > 1 7 O 0.00000000000000 0.89665646630411 0.83193617670207 15.999 > 1 8 O 0.33333333333333 0.89665646630411 0.83193617670207 15.999 > 1 9 O 0.66666666666667 0.89665646630411 0.83193617670207 15.999 > 1 10 O 0.16666666666667 0.60334353369589 0.16806382329793 15.999 > 2 11 O 0.50000000000000 0.60334353369589 0.16806382329793 15.999 > 2 12 O 0.83333333333333 0.60334353369589 0.16806382329793 15.999 > 2 13 O 0.16666666666667 0.60334353369589 0.50139715663127 15.999 > 2 14 O 0.50000000000000 0.60334353369589 0.50139715663127 15.999 > 2 15 O 0.83333333333333 0.60334353369589 0.50139715663127 15.999 > 2 16 O 0.16666666666667 0.60334353369589 0.83473048996460 15.999 > 2 17 O 0.50000000000000 0.60334353369589 0.83473048996460 15.999 > 2 18 O 0.83333333333333 0.60334353369589 0.83473048996460 15.999 > 2 19 O 0.00000000000000 0.89665646630411 0.00139715663127 15.999 > 3 20 O 0.33333333333333 0.89665646630411 0.00139715663127 15.999 > 3 21 O 0.66666666666667 0.89665646630411 0.00139715663127 15.999 > 3 22 O 0.00000000000000 0.89665646630411 0.33473048996460 15.999 > 3 23 O 0.33333333333333 0.89665646630411 0.33473048996460 15.999 > 3 24 O 0.66666666666667 0.89665646630411 0.33473048996460 15.999 > 3 25 O 0.00000000000000 0.89665646630411 0.66806382329793 15.999 > 3 26 O 0.33333333333333 0.89665646630411 0.66806382329793 15.999 > 3 27 O 0.66666666666667 0.89665646630411 0.66806382329793 15.999 > 3 28 O 0.16666666666667 0.60334353369589 0.33193617670207 15.999 > 4 29 O 0.50000000000000 0.60334353369589 0.33193617670207 15.999 > 4 30 O 0.83333333333333 0.60334353369589 0.33193617670207 15.999 > 4 31 O 0.16666666666667 0.60334353369589 0.66526951003540 15.999 > 4 32 O 0.50000000000000 0.60334353369589 0.66526951003540 15.999 > 4 33 O 0.83333333333333 0.60334353369589 0.66526951003540 15.999 > 4 34 O 0.16666666666667 0.60334353369589 0.99860284336873 15.999 > 4 35 O 0.50000000000000 0.60334353369589 0.99860284336873 15.999 > 4 36 O 0.83333333333333 0.60334353369589 0.99860284336873 15.999 > 4 37 O 0.16666666666667 0.39665646630411 0.16526951003540 15.999 > 1 38 O 0.50000000000000 0.39665646630411 0.16526951003540 15.999 > 1 39 O 0.83333333333333 0.39665646630411 0.16526951003540 15.999 > 1 40 O 0.16666666666667 0.39665646630411 0.49860284336873 15.999 > 1 41 O 0.50000000000000 0.39665646630411 0.49860284336873 15.999 > 1 42 O 0.83333333333333 0.39665646630411 0.49860284336873 15.999 > 1 43 O 0.16666666666667 0.39665646630411 0.83193617670207 15.999 > 1 44 O 0.50000000000000 0.39665646630411 0.83193617670207 15.999 > 1 45 O 0.83333333333333 0.39665646630411 0.83193617670207 15.999 > 1 46 O 0.00000000000000 0.10334353369589 0.16806382329793 15.999 > 2 47 O 0.33333333333333 0.10334353369589 0.16806382329793 15.999 > 2 48 O 0.66666666666667 0.10334353369589 0.16806382329793 15.999 > 2 49 O 0.00000000000000 0.10334353369589 0.50139715663127 15.999 > 2 50 O 0.33333333333333 0.10334353369589 0.50139715663127 15.999 > 2 51 O 0.66666666666667 0.10334353369589 0.50139715663127 15.999 > 2 52 O 0.00000000000000 0.10334353369589 0.83473048996460 15.999 > 2 53 O 0.33333333333333 0.10334353369589 0.83473048996460 15.999 > 2 54 O 0.66666666666667 0.10334353369589 0.83473048996460 15.999 > 2 55 O 0.16666666666667 0.39665646630411 0.00139715663127 15.999 > 3 56 O 0.50000000000000 0.39665646630411 0.00139715663127 15.999 > 3 57 O 0.83333333333333 0.39665646630411 0.00139715663127 15.999 > 3 58 O 0.16666666666667 0.39665646630411 0.33473048996460 15.999 > 3 59 O 0.50000000000000 0.39665646630411 0.33473048996460 15.999 > 3 60 O 0.83333333333333 0.39665646630411 0.33473048996460 15.999 > 3 61 O 0.16666666666667 0.39665646630411 0.66806382329793 15.999 > 3 62 O 0.50000000000000 0.39665646630411 0.66806382329793 15.999 > 3 63 O 0.83333333333333 0.39665646630411 0.66806382329793 15.999 > 3 64 O 0.00000000000000 0.10334353369589 0.33193617670207 15.999 > 4 65 O 0.33333333333333 0.10334353369589 0.33193617670207 15.999 > 4 66 O 0.66666666666667 0.10334353369589 0.33193617670207 15.999 > 4 67 O 0.00000000000000 0.10334353369589 0.66526951003540 15.999 > 4 68 O 0.33333333333333 0.10334353369589 0.66526951003540 15.999 > 4 69 O 0.66666666666667 0.10334353369589 0.66526951003540 15.999 > 4 70 O 0.00000000000000 0.10334353369589 0.99860284336873 15.999 > 4 71 O 0.33333333333333 0.10334353369589 0.99860284336873 15.999 > 4 72 O 0.66666666666667 0.10334353369589 0.99860284336873 15.999 > 4 *73 Cu 0.00000000000000 0.99774981517884 0.25000000000000 63.546 > 5 74 Cu 0.33333333333333 0.99774981517884 0.25000000000000 63.546 > 5 75 Cu 0.66666666666667 0.99774981517884 0.25000000000000 63.546 > 5 76 Cu 0.00000000000000 0.99774981517884 0.58333333333333 63.546 > 5 77 Cu 0.33333333333333 0.99774981517884 0.58333333333333 63.546 > 5 78 Cu 0.66666666666667 0.99774981517884 0.58333333333333 63.546 > 5 79 Cu 0.00000000000000 0.99774981517884 0.91666666666667 63.546 > 5 80 Cu 0.33333333333333 0.99774981517884 0.91666666666667 63.546 > 5 81 Cu 0.66666666666667 0.99774981517884 0.91666666666667 63.546 > 5 82 Cu 0.16666666666667 0.50225018482116 0.08333333333333 63.546 > 6 83 Cu 0.50000000000000 0.50225018482116 0.08333333333333 63.546 > 6 84 Cu 0.83333333333333 0.50225018482116 0.08333333333333 63.546 > 6 85 Cu 0.16666666666667 0.50225018482116 0.41666666666667 63.546 > 6 86 Cu 0.50000000000000 0.50225018482116 0.41666666666667 63.546 > 6 87 Cu 0.83333333333333 0.50225018482116 0.41666666666667 63.546 > 6 88 Cu 0.16666666666667 0.50225018482116 0.75000000000000 63.546 > 6 89 Cu 0.50000000000000 0.50225018482116 0.75000000000000 63.546 > 6 90 Cu 0.83333333333333 0.50225018482116 0.75000000000000 63.546 > 6 91 Cu 0.16666666666667 0.49774981517884 0.25000000000000 63.546 > 5 92 Cu 0.50000000000000 0.49774981517884 0.25000000000000 63.546 > 5 93 Cu 0.83333333333333 0.49774981517884 0.25000000000000 63.546 > 5 94 Cu 0.16666666666667 0.49774981517884 0.58333333333333 63.546 > 5 95 Cu 0.50000000000000 0.49774981517884 0.58333333333333 63.546 > 5 96 Cu 0.83333333333333 0.49774981517884 0.58333333333333 63.546 > 5 97 Cu 0.16666666666667 0.49774981517884 0.91666666666667 63.546 > 5 98 Cu 0.50000000000000 0.49774981517884 0.91666666666667 63.546 > 5 99 Cu 0.83333333333333 0.49774981517884 0.91666666666667 63.546 > 5 100 Cu 0.00000000000000 0.00225018482116 0.08333333333333 63.546 > 6 101 Cu 0.33333333333333 0.00225018482116 0.08333333333333 63.546 > 6 102 Cu 0.66666666666667 0.00225018482116 0.08333333333333 63.546 > 6 103 Cu 0.00000000000000 0.00225018482116 0.41666666666667 63.546 > 6 104 Cu 0.33333333333333 0.00225018482116 0.41666666666667 63.546 > 6 105 Cu 0.66666666666667 0.00225018482116 0.41666666666667 63.546 > 6 106 Cu 0.00000000000000 0.00225018482116 0.75000000000000 63.546 > 6 107 Cu 0.33333333333333 0.00225018482116 0.75000000000000 63.546 > 6 108 Cu 0.66666666666667 0.00225018482116 0.75000000000000 63.546 > 6 *109 Rb 0.16666666666667 0.81030320819544 0.08333333333333 85.468 > 7 110 Rb 0.50000000000000 0.81030320819544 0.08333333333333 85.468 > 7 111 Rb 0.83333333333333 0.81030320819544 0.08333333333333 85.468 > 7 112 Rb 0.16666666666667 0.81030320819544 0.41666666666667 85.468 > 7 113 Rb 0.50000000000000 0.81030320819544 0.41666666666667 85.468 > 7 114 Rb 0.83333333333333 0.81030320819544 0.41666666666667 85.468 > 7 115 Rb 0.16666666666667 0.81030320819544 0.75000000000000 85.468 > 7 116 Rb 0.50000000000000 0.81030320819544 0.75000000000000 85.468 > 7 117 Rb 0.83333333333333 0.81030320819544 0.75000000000000 85.468 > 7 118 Rb 0.00000000000000 0.68969679180456 0.25000000000000 85.468 > 8 119 Rb 0.33333333333333 0.68969679180456 0.25000000000000 85.468 > 8 120 Rb 0.66666666666667 0.68969679180456 0.25000000000000 85.468 > 8 121 Rb 0.00000000000000 0.68969679180456 0.58333333333333 85.468 > 8 122 Rb 0.33333333333333 0.68969679180456 0.58333333333333 85.468 > 8 123 Rb 0.66666666666667 0.68969679180456 0.58333333333333 85.468 > 8 124 Rb 0.00000000000000 0.68969679180456 0.91666666666667 85.468 > 8 125 Rb 0.33333333333333 0.68969679180456 0.91666666666667 85.468 > 8 126 Rb 0.66666666666667 0.68969679180456 0.91666666666667 85.468 > 8 127 Rb 0.00000000000000 0.31030320819544 0.08333333333333 85.468 > 7 128 Rb 0.33333333333333 0.31030320819544 0.08333333333333 85.468 > 7 129 Rb 0.66666666666667 0.31030320819544 0.08333333333333 85.468 > 7 130 Rb 0.00000000000000 0.31030320819544 0.41666666666667 85.468 > 7 131 Rb 0.33333333333333 0.31030320819544 0.41666666666667 85.468 > 7 132 Rb 0.66666666666667 0.31030320819544 0.41666666666667 85.468 > 7 133 Rb 0.00000000000000 0.31030320819544 0.75000000000000 85.468 > 7 134 Rb 0.33333333333333 0.31030320819544 0.75000000000000 85.468 > 7 135 Rb 0.66666666666667 0.31030320819544 0.75000000000000 85.468 > 7 136 Rb 0.16666666666667 0.18969679180456 0.25000000000000 85.468 > 8 137 Rb 0.50000000000000 0.18969679180456 0.25000000000000 85.468 > 8 138 Rb 0.83333333333333 0.18969679180456 0.25000000000000 85.468 > 8 139 Rb 0.16666666666667 0.18969679180456 0.58333333333333 85.468 > 8 140 Rb 0.50000000000000 0.18969679180456 0.58333333333333 85.468 > 8 141 Rb 0.83333333333333 0.18969679180456 0.58333333333333 85.468 > 8 142 Rb 0.16666666666667 0.18969679180456 0.91666666666667 85.468 > 8 143 Rb 0.50000000000000 0.18969679180456 0.91666666666667 85.468 > 8 144 Rb 0.83333333333333 0.18969679180456 0.91666666666667 85.468 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4153411 0.0000000 0.0000000 0.0000000 3.1190854 0.0000000 0.0000000 0.0000000 6.0302822 -------------------------- Born effective charges -------------------------- 1 O -0.6903688 0.0000000 0.0000000 0.0000000 -1.0918158 -0.0110294 0.0000000 0.0656360 -2.5825390 2 O -0.6903688 0.0000000 0.0000000 0.0000000 -1.0918158 -0.0110294 0.0000000 0.0656360 -2.5825390 3 O -0.6903688 0.0000000 0.0000000 0.0000000 -1.0918158 0.0110294 0.0000000 -0.0656360 -2.5825390 4 O -0.6903688 0.0000000 0.0000000 0.0000000 -1.0918158 0.0110294 0.0000000 -0.0656360 -2.5825390 5 Cu 0.1117972 0.0000000 0.0000000 0.0000000 0.7521132 0.0000000 0.0000000 0.0000000 4.1449948 6 Cu 0.1117972 0.0000000 0.0000000 0.0000000 0.7521132 0.0000000 0.0000000 0.0000000 4.1449948 7 Rb 1.2689404 0.0000000 0.0000000 0.0000000 1.4315184 0.0000000 0.0000000 0.0000000 1.0200832 8 Rb 1.2689404 0.0000000 0.0000000 0.0000000 1.4315184 0.0000000 0.0000000 0.0000000 1.0200832 ---------------------------------------------------------------------------- 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: 6432/6432 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 776 Number of blocks in projector: 776 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 88 Use standard eigh solver. Tree of FC basis block matrices: - (776, 765), data: False |-- (88, 88), data: True |-- (104, 104), data: True |-- (136, 133), data: True |-- (136, 133), data: True |-- (136, 133), data: True |-- (176, 174), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 160 - Time: 0.865 Solver_block: 160 / 160 - Time: 0.574 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.459 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 6432/6432 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 776 Number of blocks in projector: 776 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 88 Use standard eigh solver. Tree of FC basis block matrices: - (776, 765), data: False |-- (88, 88), data: True |-- (104, 104), data: True |-- (136, 133), data: True |-- (136, 133), data: True |-- (136, 133), data: True |-- (176, 174), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:22:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:22:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.427695940000000 -5.885211055000000 0.000000000000000 b 2.427695940000000 5.885211055000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.428355889999999 Atomic positions (fractional): 1 O 0.10334353369589 0.89665646630411 0.49580853010620 15.999 2 O 0.89665646630411 0.10334353369589 0.50419146989380 15.999 3 O 0.10334353369589 0.89665646630411 0.00419146989380 15.999 4 O 0.89665646630411 0.10334353369589 0.99580853010620 15.999 5 Cu 0.00225018482116 0.99774981517884 0.75000000000000 63.546 6 Cu 0.99774981517884 0.00225018482116 0.25000000000000 63.546 7 Rb 0.68969679180456 0.31030320819544 0.25000000000000 85.468 8 Rb 0.31030320819544 0.68969679180456 0.75000000000000 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.566175640000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.770422110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.285067669999997 Atomic positions (fractional): 1 O 0.00000000000000 0.89665646630411 0.16526951003540 15.999 > 1 2 O 0.33333333333333 0.89665646630411 0.16526951003540 15.999 > 1 3 O 0.66666666666667 0.89665646630411 0.16526951003540 15.999 > 1 4 O 0.00000000000000 0.89665646630411 0.49860284336873 15.999 > 1 5 O 0.33333333333333 0.89665646630411 0.49860284336873 15.999 > 1 6 O 0.66666666666667 0.89665646630411 0.49860284336873 15.999 > 1 7 O 0.00000000000000 0.89665646630411 0.83193617670207 15.999 > 1 8 O 0.33333333333333 0.89665646630411 0.83193617670207 15.999 > 1 9 O 0.66666666666667 0.89665646630411 0.83193617670207 15.999 > 1 10 O 0.16666666666667 0.60334353369589 0.16806382329793 15.999 > 10 11 O 0.50000000000000 0.60334353369589 0.16806382329793 15.999 > 10 12 O 0.83333333333333 0.60334353369589 0.16806382329793 15.999 > 10 13 O 0.16666666666667 0.60334353369589 0.50139715663127 15.999 > 10 14 O 0.50000000000000 0.60334353369589 0.50139715663127 15.999 > 10 15 O 0.83333333333333 0.60334353369589 0.50139715663127 15.999 > 10 16 O 0.16666666666667 0.60334353369589 0.83473048996460 15.999 > 10 17 O 0.50000000000000 0.60334353369589 0.83473048996460 15.999 > 10 18 O 0.83333333333333 0.60334353369589 0.83473048996460 15.999 > 10 19 O 0.00000000000000 0.89665646630411 0.00139715663127 15.999 > 19 20 O 0.33333333333333 0.89665646630411 0.00139715663127 15.999 > 19 21 O 0.66666666666667 0.89665646630411 0.00139715663127 15.999 > 19 22 O 0.00000000000000 0.89665646630411 0.33473048996460 15.999 > 19 23 O 0.33333333333333 0.89665646630411 0.33473048996460 15.999 > 19 24 O 0.66666666666667 0.89665646630411 0.33473048996460 15.999 > 19 25 O 0.00000000000000 0.89665646630411 0.66806382329793 15.999 > 19 26 O 0.33333333333333 0.89665646630411 0.66806382329793 15.999 > 19 27 O 0.66666666666667 0.89665646630411 0.66806382329793 15.999 > 19 28 O 0.16666666666667 0.60334353369589 0.33193617670207 15.999 > 28 29 O 0.50000000000000 0.60334353369589 0.33193617670207 15.999 > 28 30 O 0.83333333333333 0.60334353369589 0.33193617670207 15.999 > 28 31 O 0.16666666666667 0.60334353369589 0.66526951003540 15.999 > 28 32 O 0.50000000000000 0.60334353369589 0.66526951003540 15.999 > 28 33 O 0.83333333333333 0.60334353369589 0.66526951003540 15.999 > 28 34 O 0.16666666666667 0.60334353369589 0.99860284336873 15.999 > 28 35 O 0.50000000000000 0.60334353369589 0.99860284336873 15.999 > 28 36 O 0.83333333333333 0.60334353369589 0.99860284336873 15.999 > 28 37 O 0.16666666666667 0.39665646630411 0.16526951003540 15.999 > 1 38 O 0.50000000000000 0.39665646630411 0.16526951003540 15.999 > 1 39 O 0.83333333333333 0.39665646630411 0.16526951003540 15.999 > 1 40 O 0.16666666666667 0.39665646630411 0.49860284336873 15.999 > 1 41 O 0.50000000000000 0.39665646630411 0.49860284336873 15.999 > 1 42 O 0.83333333333333 0.39665646630411 0.49860284336873 15.999 > 1 43 O 0.16666666666667 0.39665646630411 0.83193617670207 15.999 > 1 44 O 0.50000000000000 0.39665646630411 0.83193617670207 15.999 > 1 45 O 0.83333333333333 0.39665646630411 0.83193617670207 15.999 > 1 46 O 0.00000000000000 0.10334353369589 0.16806382329793 15.999 > 10 47 O 0.33333333333333 0.10334353369589 0.16806382329793 15.999 > 10 48 O 0.66666666666667 0.10334353369589 0.16806382329793 15.999 > 10 49 O 0.00000000000000 0.10334353369589 0.50139715663127 15.999 > 10 50 O 0.33333333333333 0.10334353369589 0.50139715663127 15.999 > 10 51 O 0.66666666666667 0.10334353369589 0.50139715663127 15.999 > 10 52 O 0.00000000000000 0.10334353369589 0.83473048996460 15.999 > 10 53 O 0.33333333333333 0.10334353369589 0.83473048996460 15.999 > 10 54 O 0.66666666666667 0.10334353369589 0.83473048996460 15.999 > 10 55 O 0.16666666666667 0.39665646630411 0.00139715663127 15.999 > 19 56 O 0.50000000000000 0.39665646630411 0.00139715663127 15.999 > 19 57 O 0.83333333333333 0.39665646630411 0.00139715663127 15.999 > 19 58 O 0.16666666666667 0.39665646630411 0.33473048996460 15.999 > 19 59 O 0.50000000000000 0.39665646630411 0.33473048996460 15.999 > 19 60 O 0.83333333333333 0.39665646630411 0.33473048996460 15.999 > 19 61 O 0.16666666666667 0.39665646630411 0.66806382329793 15.999 > 19 62 O 0.50000000000000 0.39665646630411 0.66806382329793 15.999 > 19 63 O 0.83333333333333 0.39665646630411 0.66806382329793 15.999 > 19 64 O 0.00000000000000 0.10334353369589 0.33193617670207 15.999 > 28 65 O 0.33333333333333 0.10334353369589 0.33193617670207 15.999 > 28 66 O 0.66666666666667 0.10334353369589 0.33193617670207 15.999 > 28 67 O 0.00000000000000 0.10334353369589 0.66526951003540 15.999 > 28 68 O 0.33333333333333 0.10334353369589 0.66526951003540 15.999 > 28 69 O 0.66666666666667 0.10334353369589 0.66526951003540 15.999 > 28 70 O 0.00000000000000 0.10334353369589 0.99860284336873 15.999 > 28 71 O 0.33333333333333 0.10334353369589 0.99860284336873 15.999 > 28 72 O 0.66666666666667 0.10334353369589 0.99860284336873 15.999 > 28 73 Cu 0.00000000000000 0.99774981517884 0.25000000000000 63.546 > 73 74 Cu 0.33333333333333 0.99774981517884 0.25000000000000 63.546 > 73 75 Cu 0.66666666666667 0.99774981517884 0.25000000000000 63.546 > 73 76 Cu 0.00000000000000 0.99774981517884 0.58333333333333 63.546 > 73 77 Cu 0.33333333333333 0.99774981517884 0.58333333333333 63.546 > 73 78 Cu 0.66666666666667 0.99774981517884 0.58333333333333 63.546 > 73 79 Cu 0.00000000000000 0.99774981517884 0.91666666666667 63.546 > 73 80 Cu 0.33333333333333 0.99774981517884 0.91666666666667 63.546 > 73 81 Cu 0.66666666666667 0.99774981517884 0.91666666666667 63.546 > 73 82 Cu 0.16666666666667 0.50225018482116 0.08333333333333 63.546 > 82 83 Cu 0.50000000000000 0.50225018482116 0.08333333333333 63.546 > 82 84 Cu 0.83333333333333 0.50225018482116 0.08333333333333 63.546 > 82 85 Cu 0.16666666666667 0.50225018482116 0.41666666666667 63.546 > 82 86 Cu 0.50000000000000 0.50225018482116 0.41666666666667 63.546 > 82 87 Cu 0.83333333333333 0.50225018482116 0.41666666666667 63.546 > 82 88 Cu 0.16666666666667 0.50225018482116 0.75000000000000 63.546 > 82 89 Cu 0.50000000000000 0.50225018482116 0.75000000000000 63.546 > 82 90 Cu 0.83333333333333 0.50225018482116 0.75000000000000 63.546 > 82 91 Cu 0.16666666666667 0.49774981517884 0.25000000000000 63.546 > 73 92 Cu 0.50000000000000 0.49774981517884 0.25000000000000 63.546 > 73 93 Cu 0.83333333333333 0.49774981517884 0.25000000000000 63.546 > 73 94 Cu 0.16666666666667 0.49774981517884 0.58333333333333 63.546 > 73 95 Cu 0.50000000000000 0.49774981517884 0.58333333333333 63.546 > 73 96 Cu 0.83333333333333 0.49774981517884 0.58333333333333 63.546 > 73 97 Cu 0.16666666666667 0.49774981517884 0.91666666666667 63.546 > 73 98 Cu 0.50000000000000 0.49774981517884 0.91666666666667 63.546 > 73 99 Cu 0.83333333333333 0.49774981517884 0.91666666666667 63.546 > 73 100 Cu 0.00000000000000 0.00225018482116 0.08333333333333 63.546 > 82 101 Cu 0.33333333333333 0.00225018482116 0.08333333333333 63.546 > 82 102 Cu 0.66666666666667 0.00225018482116 0.08333333333333 63.546 > 82 103 Cu 0.00000000000000 0.00225018482116 0.41666666666667 63.546 > 82 104 Cu 0.33333333333333 0.00225018482116 0.41666666666667 63.546 > 82 105 Cu 0.66666666666667 0.00225018482116 0.41666666666667 63.546 > 82 106 Cu 0.00000000000000 0.00225018482116 0.75000000000000 63.546 > 82 107 Cu 0.33333333333333 0.00225018482116 0.75000000000000 63.546 > 82 108 Cu 0.66666666666667 0.00225018482116 0.75000000000000 63.546 > 82 109 Rb 0.16666666666667 0.81030320819544 0.08333333333333 85.468 > 109 110 Rb 0.50000000000000 0.81030320819544 0.08333333333333 85.468 > 109 111 Rb 0.83333333333333 0.81030320819544 0.08333333333333 85.468 > 109 112 Rb 0.16666666666667 0.81030320819544 0.41666666666667 85.468 > 109 113 Rb 0.50000000000000 0.81030320819544 0.41666666666667 85.468 > 109 114 Rb 0.83333333333333 0.81030320819544 0.41666666666667 85.468 > 109 115 Rb 0.16666666666667 0.81030320819544 0.75000000000000 85.468 > 109 116 Rb 0.50000000000000 0.81030320819544 0.75000000000000 85.468 > 109 117 Rb 0.83333333333333 0.81030320819544 0.75000000000000 85.468 > 109 118 Rb 0.00000000000000 0.68969679180456 0.25000000000000 85.468 > 118 119 Rb 0.33333333333333 0.68969679180456 0.25000000000000 85.468 > 118 120 Rb 0.66666666666667 0.68969679180456 0.25000000000000 85.468 > 118 121 Rb 0.00000000000000 0.68969679180456 0.58333333333333 85.468 > 118 122 Rb 0.33333333333333 0.68969679180456 0.58333333333333 85.468 > 118 123 Rb 0.66666666666667 0.68969679180456 0.58333333333333 85.468 > 118 124 Rb 0.00000000000000 0.68969679180456 0.91666666666667 85.468 > 118 125 Rb 0.33333333333333 0.68969679180456 0.91666666666667 85.468 > 118 126 Rb 0.66666666666667 0.68969679180456 0.91666666666667 85.468 > 118 127 Rb 0.00000000000000 0.31030320819544 0.08333333333333 85.468 > 109 128 Rb 0.33333333333333 0.31030320819544 0.08333333333333 85.468 > 109 129 Rb 0.66666666666667 0.31030320819544 0.08333333333333 85.468 > 109 130 Rb 0.00000000000000 0.31030320819544 0.41666666666667 85.468 > 109 131 Rb 0.33333333333333 0.31030320819544 0.41666666666667 85.468 > 109 132 Rb 0.66666666666667 0.31030320819544 0.41666666666667 85.468 > 109 133 Rb 0.00000000000000 0.31030320819544 0.75000000000000 85.468 > 109 134 Rb 0.33333333333333 0.31030320819544 0.75000000000000 85.468 > 109 135 Rb 0.66666666666667 0.31030320819544 0.75000000000000 85.468 > 109 136 Rb 0.16666666666667 0.18969679180456 0.25000000000000 85.468 > 118 137 Rb 0.50000000000000 0.18969679180456 0.25000000000000 85.468 > 118 138 Rb 0.83333333333333 0.18969679180456 0.25000000000000 85.468 > 118 139 Rb 0.16666666666667 0.18969679180456 0.58333333333333 85.468 > 118 140 Rb 0.50000000000000 0.18969679180456 0.58333333333333 85.468 > 118 141 Rb 0.83333333333333 0.18969679180456 0.58333333333333 85.468 > 118 142 Rb 0.16666666666667 0.18969679180456 0.91666666666667 85.468 > 118 143 Rb 0.50000000000000 0.18969679180456 0.91666666666667 85.468 > 118 144 Rb 0.83333333333333 0.18969679180456 0.91666666666667 85.468 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4153411 0.0000000 0.0000000 0.0000000 3.1190854 0.0000000 0.0000000 0.0000000 6.0302822 -------------------------- Born effective charges -------------------------- 1 O -0.6903688 0.0000000 0.0000000 0.0000000 -1.0918158 -0.0110294 0.0000000 0.0656360 -2.5825390 2 O -0.6903688 0.0000000 0.0000000 0.0000000 -1.0918158 -0.0110294 0.0000000 0.0656360 -2.5825390 3 O -0.6903688 0.0000000 0.0000000 0.0000000 -1.0918158 0.0110294 0.0000000 -0.0656360 -2.5825390 4 O -0.6903688 0.0000000 0.0000000 0.0000000 -1.0918158 0.0110294 0.0000000 -0.0656360 -2.5825390 5 Cu 0.1117972 0.0000000 0.0000000 0.0000000 0.7521132 0.0000000 0.0000000 0.0000000 4.1449948 6 Cu 0.1117972 0.0000000 0.0000000 0.0000000 0.7521132 0.0000000 0.0000000 0.0000000 4.1449948 7 Rb 1.2689404 0.0000000 0.0000000 0.0000000 1.4315184 0.0000000 0.0000000 0.0000000 1.0200832 8 Rb 1.2689404 0.0000000 0.0000000 0.0000000 1.4315184 0.0000000 0.0000000 0.0000000 1.0200832 ---------------------------------------------------------------------------- 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, 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: -0.00000000 (zyz) -0.00000000 (zyz) -0.00000000 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:22:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:22:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.427695940000000 -5.885211055000000 0.000000000000000 b 2.427695940000000 5.885211055000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.428355889999999 Atomic positions (fractional): 1 O 0.10334353369589 0.89665646630411 0.49580853010620 15.999 2 O 0.89665646630411 0.10334353369589 0.50419146989380 15.999 3 O 0.10334353369589 0.89665646630411 0.00419146989380 15.999 4 O 0.89665646630411 0.10334353369589 0.99580853010620 15.999 5 Cu 0.00225018482116 0.99774981517884 0.75000000000000 63.546 6 Cu 0.99774981517884 0.00225018482116 0.25000000000000 63.546 7 Rb 0.68969679180456 0.31030320819544 0.25000000000000 85.468 8 Rb 0.31030320819544 0.68969679180456 0.75000000000000 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.566175640000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.770422110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.285067669999997 Atomic positions (fractional): 1 O 0.00000000000000 0.89665646630411 0.16526951003540 15.999 > 1 2 O 0.33333333333333 0.89665646630411 0.16526951003540 15.999 > 1 3 O 0.66666666666667 0.89665646630411 0.16526951003540 15.999 > 1 4 O 0.00000000000000 0.89665646630411 0.49860284336873 15.999 > 1 5 O 0.33333333333333 0.89665646630411 0.49860284336873 15.999 > 1 6 O 0.66666666666667 0.89665646630411 0.49860284336873 15.999 > 1 7 O 0.00000000000000 0.89665646630411 0.83193617670207 15.999 > 1 8 O 0.33333333333333 0.89665646630411 0.83193617670207 15.999 > 1 9 O 0.66666666666667 0.89665646630411 0.83193617670207 15.999 > 1 10 O 0.16666666666667 0.60334353369589 0.16806382329793 15.999 > 10 11 O 0.50000000000000 0.60334353369589 0.16806382329793 15.999 > 10 12 O 0.83333333333333 0.60334353369589 0.16806382329793 15.999 > 10 13 O 0.16666666666667 0.60334353369589 0.50139715663127 15.999 > 10 14 O 0.50000000000000 0.60334353369589 0.50139715663127 15.999 > 10 15 O 0.83333333333333 0.60334353369589 0.50139715663127 15.999 > 10 16 O 0.16666666666667 0.60334353369589 0.83473048996460 15.999 > 10 17 O 0.50000000000000 0.60334353369589 0.83473048996460 15.999 > 10 18 O 0.83333333333333 0.60334353369589 0.83473048996460 15.999 > 10 19 O 0.00000000000000 0.89665646630411 0.00139715663127 15.999 > 19 20 O 0.33333333333333 0.89665646630411 0.00139715663127 15.999 > 19 21 O 0.66666666666667 0.89665646630411 0.00139715663127 15.999 > 19 22 O 0.00000000000000 0.89665646630411 0.33473048996460 15.999 > 19 23 O 0.33333333333333 0.89665646630411 0.33473048996460 15.999 > 19 24 O 0.66666666666667 0.89665646630411 0.33473048996460 15.999 > 19 25 O 0.00000000000000 0.89665646630411 0.66806382329793 15.999 > 19 26 O 0.33333333333333 0.89665646630411 0.66806382329793 15.999 > 19 27 O 0.66666666666667 0.89665646630411 0.66806382329793 15.999 > 19 28 O 0.16666666666667 0.60334353369589 0.33193617670207 15.999 > 28 29 O 0.50000000000000 0.60334353369589 0.33193617670207 15.999 > 28 30 O 0.83333333333333 0.60334353369589 0.33193617670207 15.999 > 28 31 O 0.16666666666667 0.60334353369589 0.66526951003540 15.999 > 28 32 O 0.50000000000000 0.60334353369589 0.66526951003540 15.999 > 28 33 O 0.83333333333333 0.60334353369589 0.66526951003540 15.999 > 28 34 O 0.16666666666667 0.60334353369589 0.99860284336873 15.999 > 28 35 O 0.50000000000000 0.60334353369589 0.99860284336873 15.999 > 28 36 O 0.83333333333333 0.60334353369589 0.99860284336873 15.999 > 28 37 O 0.16666666666667 0.39665646630411 0.16526951003540 15.999 > 1 38 O 0.50000000000000 0.39665646630411 0.16526951003540 15.999 > 1 39 O 0.83333333333333 0.39665646630411 0.16526951003540 15.999 > 1 40 O 0.16666666666667 0.39665646630411 0.49860284336873 15.999 > 1 41 O 0.50000000000000 0.39665646630411 0.49860284336873 15.999 > 1 42 O 0.83333333333333 0.39665646630411 0.49860284336873 15.999 > 1 43 O 0.16666666666667 0.39665646630411 0.83193617670207 15.999 > 1 44 O 0.50000000000000 0.39665646630411 0.83193617670207 15.999 > 1 45 O 0.83333333333333 0.39665646630411 0.83193617670207 15.999 > 1 46 O 0.00000000000000 0.10334353369589 0.16806382329793 15.999 > 10 47 O 0.33333333333333 0.10334353369589 0.16806382329793 15.999 > 10 48 O 0.66666666666667 0.10334353369589 0.16806382329793 15.999 > 10 49 O 0.00000000000000 0.10334353369589 0.50139715663127 15.999 > 10 50 O 0.33333333333333 0.10334353369589 0.50139715663127 15.999 > 10 51 O 0.66666666666667 0.10334353369589 0.50139715663127 15.999 > 10 52 O 0.00000000000000 0.10334353369589 0.83473048996460 15.999 > 10 53 O 0.33333333333333 0.10334353369589 0.83473048996460 15.999 > 10 54 O 0.66666666666667 0.10334353369589 0.83473048996460 15.999 > 10 55 O 0.16666666666667 0.39665646630411 0.00139715663127 15.999 > 19 56 O 0.50000000000000 0.39665646630411 0.00139715663127 15.999 > 19 57 O 0.83333333333333 0.39665646630411 0.00139715663127 15.999 > 19 58 O 0.16666666666667 0.39665646630411 0.33473048996460 15.999 > 19 59 O 0.50000000000000 0.39665646630411 0.33473048996460 15.999 > 19 60 O 0.83333333333333 0.39665646630411 0.33473048996460 15.999 > 19 61 O 0.16666666666667 0.39665646630411 0.66806382329793 15.999 > 19 62 O 0.50000000000000 0.39665646630411 0.66806382329793 15.999 > 19 63 O 0.83333333333333 0.39665646630411 0.66806382329793 15.999 > 19 64 O 0.00000000000000 0.10334353369589 0.33193617670207 15.999 > 28 65 O 0.33333333333333 0.10334353369589 0.33193617670207 15.999 > 28 66 O 0.66666666666667 0.10334353369589 0.33193617670207 15.999 > 28 67 O 0.00000000000000 0.10334353369589 0.66526951003540 15.999 > 28 68 O 0.33333333333333 0.10334353369589 0.66526951003540 15.999 > 28 69 O 0.66666666666667 0.10334353369589 0.66526951003540 15.999 > 28 70 O 0.00000000000000 0.10334353369589 0.99860284336873 15.999 > 28 71 O 0.33333333333333 0.10334353369589 0.99860284336873 15.999 > 28 72 O 0.66666666666667 0.10334353369589 0.99860284336873 15.999 > 28 73 Cu 0.00000000000000 0.99774981517884 0.25000000000000 63.546 > 73 74 Cu 0.33333333333333 0.99774981517884 0.25000000000000 63.546 > 73 75 Cu 0.66666666666667 0.99774981517884 0.25000000000000 63.546 > 73 76 Cu 0.00000000000000 0.99774981517884 0.58333333333333 63.546 > 73 77 Cu 0.33333333333333 0.99774981517884 0.58333333333333 63.546 > 73 78 Cu 0.66666666666667 0.99774981517884 0.58333333333333 63.546 > 73 79 Cu 0.00000000000000 0.99774981517884 0.91666666666667 63.546 > 73 80 Cu 0.33333333333333 0.99774981517884 0.91666666666667 63.546 > 73 81 Cu 0.66666666666667 0.99774981517884 0.91666666666667 63.546 > 73 82 Cu 0.16666666666667 0.50225018482116 0.08333333333333 63.546 > 82 83 Cu 0.50000000000000 0.50225018482116 0.08333333333333 63.546 > 82 84 Cu 0.83333333333333 0.50225018482116 0.08333333333333 63.546 > 82 85 Cu 0.16666666666667 0.50225018482116 0.41666666666667 63.546 > 82 86 Cu 0.50000000000000 0.50225018482116 0.41666666666667 63.546 > 82 87 Cu 0.83333333333333 0.50225018482116 0.41666666666667 63.546 > 82 88 Cu 0.16666666666667 0.50225018482116 0.75000000000000 63.546 > 82 89 Cu 0.50000000000000 0.50225018482116 0.75000000000000 63.546 > 82 90 Cu 0.83333333333333 0.50225018482116 0.75000000000000 63.546 > 82 91 Cu 0.16666666666667 0.49774981517884 0.25000000000000 63.546 > 73 92 Cu 0.50000000000000 0.49774981517884 0.25000000000000 63.546 > 73 93 Cu 0.83333333333333 0.49774981517884 0.25000000000000 63.546 > 73 94 Cu 0.16666666666667 0.49774981517884 0.58333333333333 63.546 > 73 95 Cu 0.50000000000000 0.49774981517884 0.58333333333333 63.546 > 73 96 Cu 0.83333333333333 0.49774981517884 0.58333333333333 63.546 > 73 97 Cu 0.16666666666667 0.49774981517884 0.91666666666667 63.546 > 73 98 Cu 0.50000000000000 0.49774981517884 0.91666666666667 63.546 > 73 99 Cu 0.83333333333333 0.49774981517884 0.91666666666667 63.546 > 73 100 Cu 0.00000000000000 0.00225018482116 0.08333333333333 63.546 > 82 101 Cu 0.33333333333333 0.00225018482116 0.08333333333333 63.546 > 82 102 Cu 0.66666666666667 0.00225018482116 0.08333333333333 63.546 > 82 103 Cu 0.00000000000000 0.00225018482116 0.41666666666667 63.546 > 82 104 Cu 0.33333333333333 0.00225018482116 0.41666666666667 63.546 > 82 105 Cu 0.66666666666667 0.00225018482116 0.41666666666667 63.546 > 82 106 Cu 0.00000000000000 0.00225018482116 0.75000000000000 63.546 > 82 107 Cu 0.33333333333333 0.00225018482116 0.75000000000000 63.546 > 82 108 Cu 0.66666666666667 0.00225018482116 0.75000000000000 63.546 > 82 109 Rb 0.16666666666667 0.81030320819544 0.08333333333333 85.468 > 109 110 Rb 0.50000000000000 0.81030320819544 0.08333333333333 85.468 > 109 111 Rb 0.83333333333333 0.81030320819544 0.08333333333333 85.468 > 109 112 Rb 0.16666666666667 0.81030320819544 0.41666666666667 85.468 > 109 113 Rb 0.50000000000000 0.81030320819544 0.41666666666667 85.468 > 109 114 Rb 0.83333333333333 0.81030320819544 0.41666666666667 85.468 > 109 115 Rb 0.16666666666667 0.81030320819544 0.75000000000000 85.468 > 109 116 Rb 0.50000000000000 0.81030320819544 0.75000000000000 85.468 > 109 117 Rb 0.83333333333333 0.81030320819544 0.75000000000000 85.468 > 109 118 Rb 0.00000000000000 0.68969679180456 0.25000000000000 85.468 > 118 119 Rb 0.33333333333333 0.68969679180456 0.25000000000000 85.468 > 118 120 Rb 0.66666666666667 0.68969679180456 0.25000000000000 85.468 > 118 121 Rb 0.00000000000000 0.68969679180456 0.58333333333333 85.468 > 118 122 Rb 0.33333333333333 0.68969679180456 0.58333333333333 85.468 > 118 123 Rb 0.66666666666667 0.68969679180456 0.58333333333333 85.468 > 118 124 Rb 0.00000000000000 0.68969679180456 0.91666666666667 85.468 > 118 125 Rb 0.33333333333333 0.68969679180456 0.91666666666667 85.468 > 118 126 Rb 0.66666666666667 0.68969679180456 0.91666666666667 85.468 > 118 127 Rb 0.00000000000000 0.31030320819544 0.08333333333333 85.468 > 109 128 Rb 0.33333333333333 0.31030320819544 0.08333333333333 85.468 > 109 129 Rb 0.66666666666667 0.31030320819544 0.08333333333333 85.468 > 109 130 Rb 0.00000000000000 0.31030320819544 0.41666666666667 85.468 > 109 131 Rb 0.33333333333333 0.31030320819544 0.41666666666667 85.468 > 109 132 Rb 0.66666666666667 0.31030320819544 0.41666666666667 85.468 > 109 133 Rb 0.00000000000000 0.31030320819544 0.75000000000000 85.468 > 109 134 Rb 0.33333333333333 0.31030320819544 0.75000000000000 85.468 > 109 135 Rb 0.66666666666667 0.31030320819544 0.75000000000000 85.468 > 109 136 Rb 0.16666666666667 0.18969679180456 0.25000000000000 85.468 > 118 137 Rb 0.50000000000000 0.18969679180456 0.25000000000000 85.468 > 118 138 Rb 0.83333333333333 0.18969679180456 0.25000000000000 85.468 > 118 139 Rb 0.16666666666667 0.18969679180456 0.58333333333333 85.468 > 118 140 Rb 0.50000000000000 0.18969679180456 0.58333333333333 85.468 > 118 141 Rb 0.83333333333333 0.18969679180456 0.58333333333333 85.468 > 118 142 Rb 0.16666666666667 0.18969679180456 0.91666666666667 85.468 > 118 143 Rb 0.50000000000000 0.18969679180456 0.91666666666667 85.468 > 118 144 Rb 0.83333333333333 0.18969679180456 0.91666666666667 85.468 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4153411 0.0000000 0.0000000 0.0000000 3.1190854 0.0000000 0.0000000 0.0000000 6.0302822 -------------------------- Born effective charges -------------------------- 1 O -0.6903688 0.0000000 0.0000000 0.0000000 -1.0918158 -0.0110294 0.0000000 0.0656360 -2.5825390 2 O -0.6903688 0.0000000 0.0000000 0.0000000 -1.0918158 -0.0110294 0.0000000 0.0656360 -2.5825390 3 O -0.6903688 0.0000000 0.0000000 0.0000000 -1.0918158 0.0110294 0.0000000 -0.0656360 -2.5825390 4 O -0.6903688 0.0000000 0.0000000 0.0000000 -1.0918158 0.0110294 0.0000000 -0.0656360 -2.5825390 5 Cu 0.1117972 0.0000000 0.0000000 0.0000000 0.7521132 0.0000000 0.0000000 0.0000000 4.1449948 6 Cu 0.1117972 0.0000000 0.0000000 0.0000000 0.7521132 0.0000000 0.0000000 0.0000000 4.1449948 7 Rb 1.2689404 0.0000000 0.0000000 0.0000000 1.4315184 0.0000000 0.0000000 0.0000000 1.0200832 8 Rb 1.2689404 0.0000000 0.0000000 0.0000000 1.4315184 0.0000000 0.0000000 0.0000000 1.0200832 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zyz) -0.00000000 (zyz) -0.00000000 (zzy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 9 ] 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: 0.77, Number of G-points: 315, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/180) ======================= 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 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 180 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 2.034 ( 0.000 0.000 0.000) 0.000 2.263 ( 0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 9.566 ( 0.000 0.000 0.000) 0.000 10.669 ( 0.000 0.000 0.000) 0.000 14.062 ( 0.000 0.000 0.000) 0.000 15.157 ( 0.000 0.000 0.000) 0.000 17.941 ( 0.000 0.000 0.000) 0.000 18.235 ( 0.000 0.000 0.000) 0.000 18.685 ( 0.000 0.000 0.000) 0.000 18.801 ( 0.000 0.000 0.000) 0.000 18.979 ( 0.000 0.000 0.000) 0.000 20.003 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/180) ======================= q-point: ( 0.09 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 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.284 ( 13.550 -3.224 0.000) 13.928 0.316 ( 12.110 -11.032 0.000) 16.382 0.627 ( 23.975 -22.649 0.000) 32.982 2.158 ( 12.934 1.603 0.000) 13.033 2.254 ( -0.358 1.387 0.000) 1.432 2.476 ( -2.854 0.048 0.000) 2.855 2.879 ( -2.145 3.948 0.000) 4.493 3.758 ( 7.002 21.553 0.000) 22.662 3.775 ( 2.574 -0.504 0.000) 2.622 3.963 ( 6.227 3.461 0.000) 7.125 4.391 ( -14.342 -25.460 0.000) 29.222 5.575 ( 0.903 -0.071 0.000) 0.905 6.787 ( 0.309 0.159 0.000) 0.347 7.569 ( -0.176 -0.749 0.000) 0.769 10.056 ( 9.300 23.822 0.000) 25.573 10.668 ( -0.058 0.137 0.000) 0.149 14.067 ( 0.322 -0.285 0.000) 0.429 15.157 ( 0.029 0.018 0.000) 0.034 17.931 ( -0.772 0.643 0.000) 1.005 18.228 ( -0.652 0.148 0.000) 0.669 18.685 ( 0.048 -0.021 0.000) 0.052 18.801 ( -0.192 -0.517 0.000) 0.551 18.978 ( 0.052 0.295 0.000) 0.300 20.119 ( -10.548 -25.115 0.000) 27.240 ======================= Grid point 2 (3/180) ======================= q-point: ( 0.18 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 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 12.523 -2.442 0.000) 12.759 0.620 ( 11.550 -10.209 0.000) 15.415 1.244 ( 23.138 -22.554 0.000) 32.312 2.228 ( -0.665 2.733 0.000) 2.813 2.403 ( -4.804 -0.156 0.000) 4.806 2.433 ( 16.599 3.250 0.000) 16.914 2.790 ( -3.152 5.260 0.000) 6.132 3.729 ( 2.530 8.465 0.000) 8.835 3.844 ( 3.978 -0.750 0.000) 4.048 4.061 ( 4.756 0.423 0.000) 4.774 4.297 ( -8.652 -8.309 0.000) 11.996 5.599 ( 1.511 -0.053 0.000) 1.512 6.793 ( 0.517 0.269 0.000) 0.582 7.572 ( -0.331 -1.242 0.000) 1.285 10.043 ( 4.098 11.712 0.000) 12.408 10.665 ( -0.101 0.231 0.000) 0.252 14.078 ( 0.536 -0.476 0.000) 0.717 15.158 ( 0.050 0.028 0.000) 0.057 17.905 ( -1.267 1.059 0.000) 1.651 18.210 ( -1.072 0.256 0.000) 1.102 18.687 ( 0.080 -0.034 0.000) 0.087 18.802 ( -0.333 -0.851 0.000) 0.914 18.977 ( 0.086 0.500 0.000) 0.507 20.114 ( -5.510 -12.577 0.000) 13.731 ======================= Grid point 3 (4/180) ======================= q-point: ( 0.27 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 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 10.439 -1.328 0.000) 10.524 0.901 ( 10.424 -8.806 0.000) 13.645 1.836 ( 21.323 -22.517 0.000) 31.011 2.186 ( -1.077 3.988 0.000) 4.130 2.308 ( -5.398 -0.721 0.000) 5.446 2.668 ( 10.559 4.568 0.000) 11.504 2.696 ( -2.453 4.162 0.000) 4.831 3.720 ( 3.084 8.952 0.000) 9.469 3.926 ( 3.959 -0.709 0.000) 4.022 4.038 ( -6.454 2.158 0.000) 6.805 4.299 ( 3.270 -7.184 0.000) 7.894 5.629 ( 1.641 0.024 0.000) 1.642 6.801 ( 0.558 0.295 0.000) 0.631 7.575 ( -0.407 -1.329 0.000) 1.390 10.031 ( 2.313 7.023 0.000) 7.394 10.661 ( -0.114 0.251 0.000) 0.276 14.093 ( 0.577 -0.515 0.000) 0.773 15.159 ( 0.056 0.027 0.000) 0.063 17.871 ( -1.374 1.084 0.000) 1.751 18.187 ( -1.108 0.257 0.000) 1.137 18.688 ( 0.086 -0.036 0.000) 0.093 18.802 ( -0.385 -0.890 0.000) 0.970 18.974 ( 0.091 0.549 0.000) 0.556 20.108 ( -3.577 -7.813 0.000) 8.593 ======================= Grid point 4 (5/180) ======================= q-point: ( 0.36 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 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 7.006 -0.334 0.000) 7.014 1.137 ( 8.168 -6.562 0.000) 10.478 2.122 ( -2.402 4.157 0.000) 4.801 2.227 ( -3.527 -0.952 0.000) 3.653 2.375 ( 16.239 -22.738 0.000) 27.942 2.646 ( 1.838 3.633 0.000) 4.071 2.758 ( 2.818 3.694 0.000) 4.646 3.633 ( -4.654 15.214 0.000) 15.910 3.919 ( -2.723 -0.009 0.000) 2.724 3.995 ( 2.827 -0.483 0.000) 2.868 4.445 ( 5.418 -6.084 0.000) 8.147 5.657 ( 1.260 0.068 0.000) 1.262 6.808 ( 0.424 0.226 0.000) 0.480 7.577 ( -0.340 -1.003 0.000) 1.059 10.022 ( 1.307 3.893 0.000) 4.106 10.657 ( -0.090 0.192 0.000) 0.212 14.106 ( 0.436 -0.390 0.000) 0.585 15.160 ( 0.045 0.019 0.000) 0.049 17.840 ( -1.058 0.791 0.000) 1.321 18.167 ( -0.793 0.164 0.000) 0.809 18.690 ( 0.065 -0.027 0.000) 0.070 18.801 ( -0.314 -0.651 0.000) 0.723 18.972 ( 0.067 0.422 0.000) 0.428 20.102 ( -2.132 -4.514 0.000) 4.992 ======================= Grid point 5 (6/180) ======================= q-point: ( 0.45 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 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 2.461 0.032 0.000) 2.462 1.288 ( 3.453 -2.674 0.000) 4.367 2.052 ( -1.737 1.798 0.000) 2.500 2.191 ( -0.988 -0.249 0.000) 1.019 2.582 ( -0.301 -3.060 0.000) 3.075 2.753 ( -0.104 1.700 0.000) 1.704 2.909 ( 16.312 -14.860 0.000) 22.066 3.338 ( -12.145 16.292 0.000) 20.320 3.910 ( 0.308 0.066 0.000) 0.315 4.035 ( 1.018 -0.169 0.000) 1.032 4.558 ( 2.429 -2.356 0.000) 3.383 5.673 ( 0.474 0.036 0.000) 0.475 6.813 ( 0.157 0.085 0.000) 0.179 7.578 ( -0.133 -0.372 0.000) 0.395 10.019 ( 0.438 1.254 0.000) 1.329 10.655 ( -0.034 0.071 0.000) 0.079 14.114 ( 0.161 -0.145 0.000) 0.217 15.160 ( 0.017 0.007 0.000) 0.018 17.822 ( -0.398 0.288 0.000) 0.491 18.156 ( -0.282 0.052 0.000) 0.287 18.691 ( 0.024 -0.010 0.000) 0.026 18.800 ( -0.122 -0.236 0.000) 0.266 18.970 ( 0.025 0.158 0.000) 0.160 20.098 ( -0.718 -1.496 0.000) 1.659 ======================= Grid point 12 (7/180) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 13.969 -0.000 0.000) 13.969 0.551 ( 14.700 -0.000 0.000) 14.700 1.044 ( 26.689 -0.000 0.000) 26.689 2.249 ( -0.670 0.000 0.000) 0.670 2.401 ( -4.944 0.000 0.000) 4.944 2.455 ( 16.330 -0.000 0.000) 16.330 2.844 ( -3.457 0.000 0.000) 3.457 3.827 ( -0.876 0.000 0.000) 0.876 3.838 ( 4.082 -0.000 0.000) 4.082 4.071 ( 2.312 -0.000 0.000) 2.312 4.184 ( -2.588 0.000 0.000) 2.588 5.598 ( 1.543 -0.000 0.000) 1.543 6.795 ( 0.496 -0.000 0.000) 0.496 7.562 ( -0.232 0.000 0.000) 0.232 10.155 ( -0.938 0.000 0.000) 0.938 10.667 ( -0.119 0.000 0.000) 0.119 14.074 ( 0.575 -0.000 0.000) 0.575 15.158 ( 0.046 -0.000 0.000) 0.046 17.913 ( -1.364 0.000 0.000) 1.364 18.214 ( -1.005 0.000 0.000) 1.005 18.686 ( 0.083 -0.000 0.000) 0.083 18.795 ( -0.258 0.000 0.000) 0.258 18.981 ( 0.049 -0.000 0.000) 0.049 19.993 ( -0.295 0.000 0.000) 0.295 ======================= Grid point 13 (8/180) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 12.896 -3.382 0.000) 13.332 0.811 ( 13.939 2.926 0.000) 14.243 1.562 ( 23.301 -10.798 0.000) 25.682 2.229 ( -0.924 1.470 0.000) 1.737 2.299 ( -5.941 -0.388 0.000) 5.954 2.703 ( 9.171 0.905 0.000) 9.216 2.765 ( -2.925 3.041 0.000) 4.220 3.829 ( 3.186 4.076 0.000) 5.174 3.918 ( 4.151 -0.263 0.000) 4.160 4.078 ( -3.896 4.109 0.000) 5.662 4.176 ( 2.065 -7.964 0.000) 8.227 5.629 ( 1.699 0.006 0.000) 1.699 6.804 ( 0.503 0.109 0.000) 0.515 7.561 ( -0.162 -0.512 0.000) 0.538 10.120 ( -0.775 3.550 0.000) 3.633 10.664 ( -0.162 0.094 0.000) 0.187 14.087 ( 0.678 -0.191 0.000) 0.704 15.159 ( 0.049 0.010 0.000) 0.050 17.883 ( -1.612 0.422 0.000) 1.667 18.192 ( -1.087 0.309 0.000) 1.131 18.688 ( 0.093 -0.013 0.000) 0.094 18.792 ( -0.193 -0.336 0.000) 0.388 18.980 ( -0.012 0.204 0.000) 0.204 20.008 ( -0.349 -4.011 0.000) 4.026 ======================= Grid point 14 (9/180) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 11.524 6.630 0.000) 13.295 1.057 ( 10.964 -3.658 0.000) 11.558 2.057 ( 17.138 -17.099 0.000) 24.209 2.168 ( -4.915 1.661 0.000) 5.188 2.219 ( -1.947 -0.087 0.000) 1.949 2.707 ( 0.850 3.769 0.000) 3.863 2.787 ( 0.687 0.480 0.000) 0.838 3.851 ( 1.073 9.642 0.000) 9.702 3.909 ( -7.716 1.697 0.000) 7.900 3.989 ( 3.061 -0.286 0.000) 3.074 4.337 ( 7.089 -7.536 0.000) 10.346 5.658 ( 1.304 0.083 0.000) 1.307 6.811 ( 0.329 0.134 0.000) 0.355 7.564 ( 0.043 -0.653 0.000) 0.655 10.079 ( -0.831 3.039 0.000) 3.150 10.660 ( -0.171 0.114 0.000) 0.205 14.101 ( 0.602 -0.232 0.000) 0.645 15.160 ( 0.036 0.011 0.000) 0.037 17.850 ( -1.415 0.483 0.000) 1.495 18.171 ( -0.803 0.351 0.000) 0.877 18.690 ( 0.076 -0.016 0.000) 0.078 18.793 ( -0.019 -0.389 0.000) 0.390 18.977 ( -0.110 0.250 0.000) 0.273 20.036 ( 0.260 -3.521 0.000) 3.530 ======================= Grid point 15 (10/180) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 7.295 9.836 0.000) 12.245 1.255 ( 7.434 -1.605 0.000) 7.605 2.063 ( -4.862 -0.143 0.000) 4.864 2.198 ( -0.063 0.946 0.000) 0.948 2.413 ( 5.167 -17.146 0.000) 17.908 2.739 ( -1.825 -1.222 0.000) 2.197 2.813 ( 9.970 -0.034 0.000) 9.970 3.594 ( -11.653 15.411 0.000) 19.321 3.889 ( -1.024 -2.398 0.000) 2.608 4.032 ( 1.272 -0.129 0.000) 1.279 4.510 ( 5.646 -3.691 0.000) 6.745 5.674 ( 0.485 0.128 0.000) 0.501 6.814 ( 0.032 0.065 0.000) 0.073 7.572 ( 0.357 -0.394 0.000) 0.532 10.042 ( -1.304 1.526 0.000) 2.007 10.656 ( -0.140 0.055 0.000) 0.151 14.112 ( 0.377 -0.111 0.000) 0.393 15.160 ( 0.007 0.005 0.000) 0.008 17.826 ( -0.835 0.218 0.000) 0.863 18.159 ( -0.272 0.283 0.000) 0.392 18.691 ( 0.039 -0.007 0.000) 0.039 18.797 ( 0.236 -0.174 0.000) 0.294 18.973 ( -0.210 0.121 0.000) 0.242 20.072 ( 1.403 -1.731 0.000) 2.228 ======================= Grid point 16 (11/180) ======================= q-point: (-0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 2.279 11.313 0.000) 11.541 1.335 ( 1.208 3.199 0.000) 3.420 2.011 ( -1.721 -3.253 0.000) 3.680 2.204 ( 1.636 1.154 0.000) 2.003 2.549 ( 0.931 -8.018 0.000) 8.072 2.690 ( -4.466 -4.952 0.000) 6.668 3.078 ( 7.039 -3.141 0.000) 7.708 3.239 ( -8.266 12.742 0.000) 15.188 3.881 ( -2.005 -3.603 0.000) 4.123 4.037 ( -0.740 0.155 0.000) 0.756 4.580 ( 0.381 0.581 0.000) 0.695 5.673 ( -0.477 0.097 0.000) 0.486 6.812 ( -0.294 -0.077 0.000) 0.304 7.583 ( 0.674 0.197 0.000) 0.702 10.006 ( -2.124 -0.460 0.000) 2.174 10.654 ( -0.081 -0.066 0.000) 0.104 14.116 ( 0.073 0.133 0.000) 0.152 15.160 ( -0.028 -0.006 0.000) 0.029 17.817 ( -0.067 -0.268 0.000) 0.276 18.157 ( 0.343 0.234 0.000) 0.416 18.691 ( -0.008 0.009 0.000) 0.012 18.804 ( 0.507 0.224 0.000) 0.554 18.968 ( -0.280 -0.145 0.000) 0.316 20.115 ( 2.770 0.685 0.000) 2.853 ======================= Grid point 17 (12/180) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -2.344 11.389 0.000) 11.628 1.254 ( -4.544 8.240 0.000) 9.410 2.043 ( 0.712 -5.935 0.000) 5.978 2.244 ( 3.680 1.166 0.000) 3.861 2.598 ( -0.284 -2.565 0.000) 2.580 2.655 ( -5.811 -9.721 0.000) 11.325 2.734 ( -15.964 22.598 0.000) 27.668 3.421 ( 8.056 -11.311 0.000) 13.886 3.888 ( 0.375 -4.199 0.000) 4.215 4.003 ( -2.517 0.529 0.000) 2.572 4.521 ( -4.526 3.652 0.000) 5.816 5.656 ( -1.245 0.031 0.000) 1.245 6.805 ( -0.549 -0.247 0.000) 0.602 7.593 ( 0.862 0.953 0.000) 1.285 9.969 ( -3.214 -2.866 0.000) 4.306 10.654 ( -0.016 -0.208 0.000) 0.209 14.112 ( -0.217 0.426 0.000) 0.478 15.159 ( -0.057 -0.021 0.000) 0.061 17.827 ( 0.625 -0.836 0.000) 1.043 18.168 ( 0.920 0.240 0.000) 0.951 18.691 ( -0.049 0.030 0.000) 0.057 18.812 ( 0.688 0.703 0.000) 0.983 18.965 ( -0.300 -0.461 0.000) 0.550 20.165 ( 4.226 3.435 0.000) 5.446 ======================= Grid point 18 (13/180) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -6.024 11.086 0.000) 12.617 1.063 ( -7.115 11.737 0.000) 13.725 2.107 ( 0.817 -6.229 0.000) 6.282 2.210 ( -18.603 24.602 0.000) 30.844 2.319 ( 4.901 0.768 0.000) 4.961 2.556 ( -11.821 -9.411 0.000) 15.110 2.658 ( 2.457 -0.870 0.000) 2.607 3.580 ( 0.795 -8.639 0.000) 8.676 3.939 ( -3.633 0.937 0.000) 3.752 3.984 ( 5.241 -5.245 0.000) 7.415 4.386 ( -5.329 4.028 0.000) 6.680 5.629 ( -1.604 -0.003 0.000) 1.604 6.796 ( -0.653 -0.389 0.000) 0.760 7.599 ( 0.835 1.642 0.000) 1.842 9.928 ( -4.734 -5.735 0.000) 7.437 10.656 ( 0.033 -0.328 0.000) 0.330 14.102 ( -0.406 0.676 0.000) 0.788 15.158 ( -0.068 -0.037 0.000) 0.077 17.851 ( 1.021 -1.338 0.000) 1.683 18.187 ( 1.350 0.300 0.000) 1.383 18.689 ( -0.073 0.048 0.000) 0.087 18.818 ( 0.696 1.142 0.000) 1.337 18.964 ( -0.265 -0.722 0.000) 0.769 20.222 ( 5.953 6.387 0.000) 8.731 ======================= Grid point 19 (14/180) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -8.354 10.936 0.000) 13.762 0.819 ( -7.668 14.758 0.000) 16.631 1.659 ( -17.611 29.571 0.000) 34.417 2.166 ( 0.590 -5.357 0.000) 5.389 2.343 ( -17.323 -8.451 0.000) 19.274 2.406 ( 4.465 0.218 0.000) 4.470 2.732 ( 4.073 -1.699 0.000) 4.413 3.616 ( -2.516 -6.069 0.000) 6.570 3.860 ( -3.700 1.270 0.000) 3.912 4.050 ( -3.720 -1.373 0.000) 3.965 4.359 ( 6.389 -0.407 0.000) 6.402 5.599 ( -1.485 0.010 0.000) 1.485 6.787 ( -0.572 -0.456 0.000) 0.732 7.598 ( 0.608 2.035 0.000) 2.124 9.873 ( -7.571 -9.065 0.000) 11.810 10.660 ( 0.053 -0.387 0.000) 0.391 14.088 ( -0.432 0.804 0.000) 0.913 15.157 ( -0.058 -0.047 0.000) 0.075 17.883 ( 1.031 -1.649 0.000) 1.945 18.211 ( 1.489 0.457 0.000) 1.558 18.687 ( -0.072 0.058 0.000) 0.092 18.820 ( 0.532 1.401 0.000) 1.499 18.966 ( -0.187 -0.845 0.000) 0.865 20.295 ( 8.803 9.567 0.000) 13.001 ======================= Grid point 20 (15/180) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -8.342 11.579 0.000) 14.272 0.558 ( -6.315 18.129 0.000) 19.198 1.109 ( -13.583 35.759 0.000) 38.252 2.093 ( -13.779 -6.782 0.000) 15.358 2.211 ( 0.334 -4.135 0.000) 4.149 2.475 ( 2.706 -0.138 0.000) 2.709 2.830 ( 4.990 -1.423 0.000) 5.189 3.558 ( -9.874 -5.734 0.000) 11.418 3.790 ( -2.433 1.355 0.000) 2.785 3.950 ( -4.846 -0.123 0.000) 4.848 4.562 ( 13.035 -0.903 0.000) 13.066 5.576 ( -0.933 0.028 0.000) 0.934 6.782 ( -0.329 -0.429 0.000) 0.541 7.591 ( 0.289 1.989 0.000) 2.010 9.761 ( -13.755 -11.304 0.000) 17.804 10.664 ( 0.041 -0.367 0.000) 0.369 14.075 ( -0.282 0.765 0.000) 0.816 15.157 ( -0.032 -0.048 0.000) 0.058 17.912 ( 0.677 -1.661 0.000) 1.793 18.233 ( 1.184 0.696 0.000) 1.374 18.686 ( -0.045 0.056 0.000) 0.071 18.816 ( 0.269 1.369 0.000) 1.395 18.970 ( -0.089 -0.795 0.000) 0.800 20.425 ( 14.762 11.571 0.000) 18.756 ======================= Grid point 21 (16/180) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.211 ( -0.000 13.708 0.000) 13.708 0.332 ( -0.000 21.294 0.000) 21.294 0.652 ( -0.000 41.969 0.000) 41.969 1.996 ( 0.000 -4.849 0.000) 4.849 2.241 ( 0.000 -2.781 0.000) 2.781 2.502 ( 0.000 -0.191 0.000) 0.191 2.914 ( 0.000 -0.396 0.000) 0.396 3.376 ( -0.000 1.957 0.000) 1.957 3.756 ( -0.000 1.061 0.000) 1.061 3.908 ( 0.000 -0.206 0.000) 0.206 4.792 ( 0.000 -7.044 0.000) 7.044 5.566 ( -0.000 0.025 0.000) 0.025 6.782 ( 0.000 -0.318 0.000) 0.318 7.580 ( -0.000 1.505 0.000) 1.505 9.567 ( -0.000 0.147 0.000) 0.147 10.667 ( 0.000 -0.274 0.000) 0.274 14.067 ( -0.000 0.571 0.000) 0.571 15.157 ( 0.000 -0.036 0.000) 0.036 17.931 ( 0.000 -1.320 0.000) 1.320 18.240 ( -0.000 0.656 0.000) 0.656 18.685 ( -0.000 0.042 0.000) 0.042 18.809 ( -0.000 1.036 0.000) 1.036 18.974 ( 0.000 -0.590 0.000) 0.590 20.631 ( 0.000 -0.252 0.000) 0.252 ======================= Grid point 24 (17/180) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 12.047 -0.000 0.000) 12.047 1.085 ( 13.432 -0.000 0.000) 13.432 1.908 ( 17.086 -0.000 0.000) 17.086 2.178 ( -6.504 0.000 0.000) 6.504 2.220 ( -0.675 0.000 0.000) 0.675 2.743 ( 0.443 -0.000 0.000) 0.443 2.785 ( -0.150 0.000 0.000) 0.150 3.870 ( -0.767 0.000 0.000) 0.767 3.987 ( 3.148 -0.000 0.000) 3.148 3.999 ( -7.556 0.000 0.000) 7.556 4.255 ( 9.864 -0.000 0.000) 9.864 5.659 ( 1.330 -0.000 0.000) 1.330 6.812 ( 0.294 -0.000 0.000) 0.294 7.559 ( 0.183 -0.000 0.000) 0.183 10.104 ( -1.849 0.000 0.000) 1.849 10.661 ( -0.201 0.000 0.000) 0.201 14.099 ( 0.664 -0.000 0.000) 0.664 15.160 ( 0.032 -0.000 0.000) 0.032 17.854 ( -1.554 0.000 0.000) 1.554 18.175 ( -0.859 0.000 0.000) 0.859 18.690 ( 0.081 -0.000 0.000) 0.081 18.790 ( 0.093 -0.000 0.000) 0.093 18.979 ( -0.175 0.000 0.000) 0.175 20.007 ( 1.421 -0.000 0.000) 1.421 ======================= Grid point 25 (18/180) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 9.765 -0.513 0.000) 9.779 1.289 ( 10.916 7.864 0.000) 13.454 2.058 ( -6.236 -0.303 0.000) 6.243 2.171 ( 6.388 -10.649 0.000) 12.418 2.211 ( 0.072 0.531 0.000) 0.535 2.734 ( -4.205 0.027 0.000) 4.205 2.822 ( 8.406 0.572 0.000) 8.425 3.779 ( -9.743 7.626 0.000) 12.373 3.849 ( -4.546 -2.427 0.000) 5.153 4.031 ( 1.423 -0.048 0.000) 1.424 4.458 ( 8.819 -2.317 0.000) 9.118 5.676 ( 0.498 0.071 0.000) 0.503 6.815 ( -0.042 0.024 0.000) 0.049 7.567 ( 0.644 -0.171 0.000) 0.666 10.060 ( -2.467 0.703 0.000) 2.566 10.657 ( -0.203 0.020 0.000) 0.204 14.111 ( 0.505 -0.041 0.000) 0.506 15.160 ( 0.001 0.002 0.000) 0.002 17.828 ( -1.100 0.081 0.000) 1.103 18.163 ( -0.312 0.167 0.000) 0.354 18.691 ( 0.047 -0.003 0.000) 0.047 18.795 ( 0.452 -0.064 0.000) 0.456 18.974 ( -0.349 0.045 0.000) 0.352 20.051 ( 2.833 -0.790 0.000) 2.941 ======================= Grid point 26 (19/180) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 5.930 15.391 0.000) 16.494 1.380 ( 5.395 2.392 0.000) 5.902 1.963 ( -4.524 -2.556 0.000) 5.196 2.220 ( 1.601 0.845 0.000) 1.810 2.333 ( 0.258 -16.696 0.000) 16.698 2.647 ( -4.973 -1.091 0.000) 5.092 3.029 ( 11.972 -1.309 0.000) 12.044 3.477 ( -12.259 14.345 0.000) 18.869 3.802 ( -4.587 -6.475 0.000) 7.936 4.039 ( -0.526 0.092 0.000) 0.534 4.580 ( 2.608 -0.435 0.000) 2.644 5.675 ( -0.490 0.118 0.000) 0.504 6.811 ( -0.399 -0.046 0.000) 0.402 7.584 ( 1.093 0.051 0.000) 1.095 10.003 ( -3.328 0.023 0.000) 3.328 10.653 ( -0.169 -0.039 0.000) 0.174 14.118 ( 0.253 0.079 0.000) 0.265 15.160 ( -0.037 -0.004 0.000) 0.037 17.814 ( -0.414 -0.161 0.000) 0.444 18.162 ( 0.388 0.259 0.000) 0.466 18.691 ( 0.005 0.006 0.000) 0.007 18.807 ( 0.796 0.137 0.000) 0.808 18.966 ( -0.476 -0.086 0.000) 0.484 20.121 ( 4.248 0.117 0.000) 4.250 ======================= Grid point 27 (20/180) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 0.421 18.171 0.000) 18.176 1.383 ( -0.640 8.199 0.000) 8.224 1.944 ( -1.300 -6.553 0.000) 6.681 2.261 ( 3.428 0.893 0.000) 3.543 2.430 ( -5.254 -17.426 0.000) 18.200 2.579 ( -2.595 -1.074 0.000) 2.808 3.064 ( -10.767 19.008 0.000) 21.846 3.303 ( 7.789 -3.455 0.000) 8.521 3.789 ( -2.372 -8.503 0.000) 8.828 4.011 ( -2.228 0.406 0.000) 2.265 4.559 ( -4.077 1.490 0.000) 4.341 5.657 ( -1.263 0.101 0.000) 1.267 6.801 ( -0.666 -0.189 0.000) 0.692 7.605 ( 1.362 0.632 0.000) 1.501 9.936 ( -4.424 -1.426 0.000) 4.648 10.651 ( -0.113 -0.159 0.000) 0.195 14.118 ( -0.015 0.326 0.000) 0.326 15.159 ( -0.068 -0.017 0.000) 0.070 17.815 ( 0.253 -0.624 0.000) 0.674 18.173 ( 1.071 0.396 0.000) 1.142 18.691 ( -0.034 0.023 0.000) 0.041 18.822 ( 1.019 0.534 0.000) 1.150 18.958 ( -0.515 -0.353 0.000) 0.624 20.206 ( 5.553 1.848 0.000) 5.853 ======================= Grid point 28 (21/180) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -4.194 17.547 0.000) 18.041 1.253 ( -4.007 12.598 0.000) 13.219 1.996 ( 0.144 -8.144 0.000) 8.145 2.331 ( 4.449 0.636 0.000) 4.495 2.364 ( -14.391 -13.946 0.000) 20.039 2.521 ( -7.192 8.787 0.000) 11.355 2.734 ( -2.538 15.485 0.000) 15.691 3.467 ( 4.069 -5.662 0.000) 6.973 3.867 ( 3.090 -10.046 0.000) 10.510 3.953 ( -3.275 0.869 0.000) 3.389 4.427 ( -7.947 1.450 0.000) 8.078 5.629 ( -1.609 0.053 0.000) 1.610 6.790 ( -0.759 -0.361 0.000) 0.840 7.623 ( 1.327 1.413 0.000) 1.939 9.859 ( -5.670 -3.203 0.000) 6.512 10.651 ( -0.054 -0.301 0.000) 0.306 14.112 ( -0.218 0.624 0.000) 0.661 15.158 ( -0.081 -0.034 0.000) 0.088 17.831 ( 0.681 -1.170 0.000) 1.354 18.195 ( 1.603 0.592 0.000) 1.708 18.690 ( -0.058 0.045 0.000) 0.074 18.835 ( 1.020 1.028 0.000) 1.448 18.953 ( -0.456 -0.667 0.000) 0.808 20.299 ( 6.761 3.701 0.000) 7.707 ======================= Grid point 29 (22/180) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -7.304 15.612 0.000) 17.236 1.058 ( -4.670 15.823 0.000) 16.498 2.063 ( 0.357 -7.823 0.000) 7.832 2.094 ( -14.205 15.699 0.000) 21.171 2.209 ( -15.167 1.432 0.000) 15.235 2.409 ( 4.060 0.196 0.000) 4.065 2.734 ( 4.639 1.966 0.000) 5.038 3.539 ( -0.180 -3.985 0.000) 3.989 3.881 ( -3.336 1.393 0.000) 3.615 4.000 ( 0.674 -6.052 0.000) 6.089 4.307 ( -2.656 -4.964 0.000) 5.629 5.599 ( -1.482 0.019 0.000) 1.482 6.780 ( -0.647 -0.503 0.000) 0.820 7.632 ( 0.991 2.141 0.000) 2.359 9.770 ( -7.127 -4.517 0.000) 8.438 10.654 ( -0.009 -0.420 0.000) 0.420 14.101 ( -0.295 0.879 0.000) 0.927 15.157 ( -0.070 -0.053 0.000) 0.088 17.857 ( 0.768 -1.660 0.000) 1.829 18.222 ( 1.807 0.800 0.000) 1.976 18.688 ( -0.060 0.065 0.000) 0.088 18.843 ( 0.783 1.484 0.000) 1.678 18.952 ( -0.321 -0.925 0.000) 0.979 20.404 ( 8.052 4.818 0.000) 9.384 ======================= Grid point 30 (23/180) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -7.131 14.041 0.000) 15.748 0.845 ( -3.513 18.686 0.000) 19.013 1.674 ( -7.644 36.057 0.000) 36.858 1.960 ( -13.977 -9.601 0.000) 16.957 2.126 ( 0.261 -6.817 0.000) 6.822 2.472 ( 2.467 -0.197 0.000) 2.475 2.827 ( 5.899 0.557 0.000) 5.925 3.513 ( -5.073 -1.095 0.000) 5.190 3.815 ( -2.199 1.780 0.000) 2.830 3.948 ( -4.835 -0.253 0.000) 4.841 4.445 ( 6.266 -12.821 0.000) 14.270 5.576 ( -0.923 0.020 0.000) 0.924 6.774 ( -0.365 -0.571 0.000) 0.677 7.627 ( 0.485 2.554 0.000) 2.600 9.659 ( -7.911 -3.478 0.000) 8.642 10.657 ( 0.011 -0.479 0.000) 0.479 14.089 ( -0.215 1.007 0.000) 1.030 15.156 ( -0.039 -0.064 0.000) 0.074 17.883 ( 0.523 -1.978 0.000) 2.046 18.246 ( 1.385 0.943 0.000) 1.675 18.687 ( -0.039 0.075 0.000) 0.084 18.841 ( 0.395 1.745 0.000) 1.789 18.955 ( -0.152 -1.048 0.000) 1.059 20.529 ( 8.553 3.470 0.000) 9.230 ======================= Grid point 31 (24/180) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -0.000 13.969 0.000) 13.969 0.655 ( -0.000 20.523 0.000) 20.523 1.293 ( -0.000 40.879 0.000) 40.879 1.889 ( 0.000 -8.756 0.000) 8.756 2.177 ( 0.000 -5.530 0.000) 5.530 2.498 ( 0.000 -0.328 0.000) 0.328 2.906 ( 0.000 -0.613 0.000) 0.613 3.416 ( -0.000 3.042 0.000) 3.042 3.779 ( -0.000 1.786 0.000) 1.786 3.904 ( 0.000 -0.375 0.000) 0.375 4.631 ( 0.000 -13.723 0.000) 13.723 5.567 ( -0.000 0.044 0.000) 0.044 6.775 ( 0.000 -0.542 0.000) 0.542 7.612 ( -0.000 2.494 0.000) 2.494 9.570 ( -0.000 0.249 0.000) 0.249 10.661 ( 0.000 -0.459 0.000) 0.459 14.079 ( -0.000 0.965 0.000) 0.965 15.156 ( 0.000 -0.062 0.000) 0.062 17.904 ( 0.000 -2.009 0.000) 2.009 18.253 ( -0.000 0.936 0.000) 0.936 18.686 ( -0.000 0.071 0.000) 0.071 18.831 ( -0.000 1.704 0.000) 1.704 18.962 ( 0.000 -0.998 0.000) 0.998 20.626 ( 0.000 -0.432 0.000) 0.432 ======================= Grid point 36 (25/180) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 7.251 -0.000 0.000) 7.251 1.512 ( 8.404 -0.000 0.000) 8.404 1.942 ( -5.813 0.000 0.000) 5.813 2.166 ( -1.191 0.000 0.000) 1.191 2.227 ( 1.521 -0.000 0.000) 1.521 2.640 ( -4.908 0.000 0.000) 4.908 3.022 ( 11.520 -0.000 0.000) 11.520 3.637 ( -10.608 0.000 0.000) 10.608 3.704 ( -6.858 0.000 0.000) 6.858 4.040 ( -0.446 0.000 0.000) 0.446 4.575 ( 3.568 -0.000 0.000) 3.568 5.676 ( -0.497 0.000 0.000) 0.497 6.810 ( -0.438 0.000 0.000) 0.438 7.585 ( 1.251 -0.000 0.000) 1.251 10.004 ( -3.766 0.000 0.000) 3.766 10.653 ( -0.202 0.000 0.000) 0.202 14.118 ( 0.320 -0.000 0.000) 0.320 15.160 ( -0.040 0.000 0.000) 0.040 17.812 ( -0.542 0.000 0.000) 0.542 18.164 ( 0.399 -0.000 0.000) 0.399 18.691 ( 0.010 -0.000 0.000) 0.010 18.808 ( 0.904 -0.000 0.000) 0.904 18.965 ( -0.549 0.000 0.000) 0.549 20.121 ( 4.792 -0.000 0.000) 4.792 ======================= Grid point 37 (26/180) ======================= q-point: (-0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 3.227 4.402 0.000) 5.458 1.559 ( 2.275 14.475 0.000) 14.653 1.857 ( -4.091 -3.808 0.000) 5.589 2.159 ( -5.990 -14.444 0.000) 15.636 2.270 ( 3.223 0.330 0.000) 3.240 2.570 ( -2.219 -0.248 0.000) 2.233 3.218 ( 7.893 0.934 0.000) 7.948 3.390 ( -7.513 13.381 0.000) 15.346 3.631 ( -5.856 -11.331 0.000) 12.755 4.015 ( -2.055 0.152 0.000) 2.061 4.572 ( -3.827 0.303 0.000) 3.839 5.659 ( -1.287 0.055 0.000) 1.289 6.799 ( -0.736 -0.071 0.000) 0.739 7.612 ( 1.669 0.215 0.000) 1.683 9.922 ( -4.992 -0.387 0.000) 5.007 10.649 ( -0.171 -0.059 0.000) 0.181 14.122 ( 0.106 0.122 0.000) 0.161 15.159 ( -0.075 -0.006 0.000) 0.075 17.809 ( 0.041 -0.230 0.000) 0.234 18.178 ( 1.156 0.186 0.000) 1.171 18.691 ( -0.025 0.009 0.000) 0.027 18.828 ( 1.210 0.198 0.000) 1.226 18.954 ( -0.643 -0.132 0.000) 0.657 20.224 ( 6.183 0.547 0.000) 6.207 ======================= Grid point 38 (27/180) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -4.456 19.320 0.000) 19.827 1.442 ( -1.129 11.393 0.000) 11.449 1.861 ( -1.232 -8.959 0.000) 9.043 2.112 ( -13.214 -17.634 0.000) 22.036 2.338 ( 4.120 0.357 0.000) 4.136 2.567 ( 1.397 0.642 0.000) 1.537 3.059 ( -6.417 22.207 0.000) 23.115 3.406 ( 5.212 -2.356 0.000) 5.720 3.674 ( -0.144 -14.908 0.000) 14.909 3.964 ( -2.999 0.520 0.000) 3.044 4.438 ( -9.564 0.293 0.000) 9.569 5.630 ( -1.633 0.061 0.000) 1.634 6.785 ( -0.841 -0.216 0.000) 0.869 7.641 ( 1.724 0.798 0.000) 1.899 9.826 ( -5.918 -1.276 0.000) 6.054 10.648 ( -0.120 -0.178 0.000) 0.215 14.120 ( -0.074 0.372 0.000) 0.379 15.157 ( -0.092 -0.021 0.000) 0.094 17.817 ( 0.445 -0.674 0.000) 0.808 18.203 ( 1.740 0.439 0.000) 1.794 18.690 ( -0.047 0.027 0.000) 0.054 18.848 ( 1.258 0.603 0.000) 1.395 18.945 ( -0.604 -0.398 0.000) 0.723 20.339 ( 6.903 1.567 0.000) 7.079 ======================= Grid point 39 (28/180) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -8.576 17.610 0.000) 19.587 1.300 ( -2.506 15.182 0.000) 15.388 1.925 ( -0.134 -9.992 0.000) 9.993 1.947 ( -16.841 -15.170 0.000) 22.666 2.412 ( 3.709 0.127 0.000) 3.712 2.529 ( -2.094 16.730 0.000) 16.860 2.828 ( 0.216 13.619 0.000) 13.621 3.491 ( 1.938 -2.295 0.000) 3.003 3.838 ( 3.891 -15.044 0.000) 15.539 3.900 ( -3.003 1.071 0.000) 3.189 4.244 ( -10.752 -2.713 0.000) 11.089 5.600 ( -1.490 0.043 0.000) 1.491 6.772 ( -0.719 -0.389 0.000) 0.817 7.661 ( 1.363 1.586 0.000) 2.091 9.724 ( -6.200 -1.838 0.000) 6.466 10.648 ( -0.066 -0.320 0.000) 0.326 14.114 ( -0.168 0.674 0.000) 0.694 15.156 ( -0.081 -0.041 0.000) 0.091 17.834 ( 0.561 -1.197 0.000) 1.322 18.234 ( 1.909 0.677 0.000) 2.025 18.689 ( -0.050 0.051 0.000) 0.071 18.863 ( 1.005 1.107 0.000) 1.496 18.939 ( -0.446 -0.711 0.000) 0.839 20.455 ( 6.872 2.038 0.000) 7.168 ======================= Grid point 40 (29/180) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -7.822 15.116 0.000) 17.020 1.128 ( -1.979 17.724 0.000) 17.834 1.765 ( -12.520 -12.697 0.000) 17.831 2.001 ( 0.101 -9.382 0.000) 9.383 2.243 ( -4.259 34.114 0.000) 34.379 2.469 ( 2.221 -0.194 0.000) 2.230 2.843 ( 4.593 1.863 0.000) 4.956 3.508 ( -1.287 0.111 0.000) 1.292 3.842 ( -1.951 1.642 0.000) 2.550 3.934 ( -3.070 -2.350 0.000) 3.866 4.198 ( -0.084 -17.811 0.000) 17.812 5.576 ( -0.903 0.037 0.000) 0.904 6.765 ( -0.405 -0.533 0.000) 0.669 7.666 ( 0.707 2.300 0.000) 2.406 9.627 ( -5.016 -1.091 0.000) 5.133 10.650 ( -0.021 -0.439 0.000) 0.439 14.104 ( -0.142 0.930 0.000) 0.941 15.155 ( -0.046 -0.060 0.000) 0.075 17.855 ( 0.392 -1.671 0.000) 1.716 18.260 ( 1.375 0.801 0.000) 1.591 18.688 ( -0.033 0.071 0.000) 0.078 18.867 ( 0.529 1.561 0.000) 1.648 18.939 ( -0.222 -0.970 0.000) 0.995 20.560 ( 5.411 1.039 0.000) 5.510 ======================= Grid point 41 (30/180) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -0.000 14.260 0.000) 14.260 0.963 ( -0.000 19.268 0.000) 19.268 1.731 ( 0.000 -11.440 0.000) 11.440 1.910 ( -0.000 38.818 0.000) 38.818 2.071 ( 0.000 -8.215 0.000) 8.215 2.493 ( 0.000 -0.363 0.000) 0.363 2.897 ( 0.000 -0.387 0.000) 0.387 3.465 ( -0.000 3.050 0.000) 3.050 3.808 ( -0.000 1.945 0.000) 1.945 3.897 ( 0.000 -0.458 0.000) 0.458 4.372 ( 0.000 -19.749 0.000) 19.749 5.567 ( -0.000 0.051 0.000) 0.051 6.766 ( 0.000 -0.600 0.000) 0.600 7.653 ( -0.000 2.665 0.000) 2.665 9.574 ( -0.000 0.274 0.000) 0.274 10.653 ( 0.000 -0.498 0.000) 0.498 14.095 ( -0.000 1.055 0.000) 1.055 15.155 ( 0.000 -0.069 0.000) 0.069 17.873 ( 0.000 -1.972 0.000) 1.972 18.268 ( -0.000 0.866 0.000) 0.866 18.687 ( -0.000 0.080 0.000) 0.080 18.859 ( -0.000 1.803 0.000) 1.803 18.945 ( 0.000 -1.094 0.000) 1.094 20.618 ( 0.000 -0.482 0.000) 0.482 ======================= Grid point 48 (31/180) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 1.690 -0.000 0.000) 1.690 1.616 ( -3.738 0.000 0.000) 3.738 1.763 ( -3.547 0.000 0.000) 3.547 1.907 ( -13.594 0.000 0.000) 13.594 2.341 ( 3.999 -0.000 0.000) 3.999 2.571 ( 2.431 -0.000 0.000) 2.431 3.320 ( 1.747 -0.000 0.000) 1.747 3.429 ( 3.344 -0.000 0.000) 3.344 3.430 ( -6.809 0.000 0.000) 6.809 3.968 ( -2.896 0.000 0.000) 2.896 4.440 ( -10.027 0.000 0.000) 10.027 5.631 ( -1.646 0.000 0.000) 1.646 6.783 ( -0.872 0.000 0.000) 0.872 7.647 ( 1.876 -0.000 0.000) 1.876 9.816 ( -5.964 0.000 0.000) 5.964 10.646 ( -0.145 0.000 0.000) 0.145 14.123 ( -0.021 0.000 0.000) 0.021 15.157 ( -0.096 0.000 0.000) 0.096 17.812 ( 0.362 -0.000 0.000) 0.362 18.207 ( 1.778 -0.000 0.000) 1.778 18.691 ( -0.042 0.000 0.000) 0.042 18.853 ( 1.345 -0.000 0.000) 1.345 18.941 ( -0.659 0.000 0.000) 0.659 20.351 ( 6.908 -0.000 0.000) 6.908 ======================= Grid point 50 (32/180) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -10.016 17.137 0.000) 19.850 1.517 ( -0.612 12.086 0.000) 12.101 1.698 ( -15.910 -16.344 0.000) 22.809 1.762 ( -1.241 -10.299 0.000) 10.373 2.413 ( 3.507 0.043 0.000) 3.508 2.644 ( 5.300 1.998 0.000) 5.664 3.157 ( -2.873 24.402 0.000) 24.571 3.455 ( 2.555 -5.042 0.000) 5.653 3.562 ( 2.229 -17.182 0.000) 17.325 3.912 ( -2.806 0.401 0.000) 2.835 4.220 ( -12.820 -0.614 0.000) 12.834 5.600 ( -1.503 0.023 0.000) 1.503 6.768 ( -0.762 -0.146 0.000) 0.776 7.678 ( 1.593 0.581 0.000) 1.696 9.707 ( -5.724 -0.472 0.000) 5.744 10.644 ( -0.100 -0.119 0.000) 0.155 14.121 ( -0.092 0.252 0.000) 0.268 15.155 ( -0.087 -0.015 0.000) 0.089 17.821 ( 0.452 -0.433 0.000) 0.626 18.241 ( 1.914 0.260 0.000) 1.932 18.690 ( -0.043 0.019 0.000) 0.047 18.875 ( 1.134 0.408 0.000) 1.205 18.931 ( -0.521 -0.266 0.000) 0.585 20.474 ( 6.248 0.546 0.000) 6.271 ======================= Grid point 51 (33/180) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -9.419 15.495 0.000) 18.133 1.389 ( -0.977 15.891 0.000) 15.921 1.553 ( -11.428 -14.486 0.000) 18.452 1.838 ( -0.212 -11.609 0.000) 11.611 2.466 ( 2.042 -0.121 0.000) 2.046 2.678 ( 2.801 16.203 0.000) 16.443 2.944 ( -0.260 16.566 0.000) 16.568 3.511 ( 1.171 0.006 0.000) 1.171 3.773 ( 3.542 -20.725 0.000) 21.025 3.863 ( -1.765 0.978 0.000) 2.018 4.010 ( -10.189 -3.838 0.000) 10.888 5.577 ( -0.900 0.030 0.000) 0.900 6.759 ( -0.436 -0.321 0.000) 0.542 7.694 ( 0.883 1.347 0.000) 1.611 9.618 ( -3.866 -0.297 0.000) 3.877 10.644 ( -0.046 -0.260 0.000) 0.264 14.116 ( -0.085 0.555 0.000) 0.562 15.154 ( -0.051 -0.036 0.000) 0.063 17.834 ( 0.310 -0.941 0.000) 0.991 18.270 ( 1.312 0.451 0.000) 1.388 18.689 ( -0.028 0.043 0.000) 0.051 18.887 ( 0.629 0.911 0.000) 1.107 18.927 ( -0.276 -0.580 0.000) 0.642 20.569 ( 4.088 0.260 0.000) 4.097 ======================= Grid point 52 (34/180) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -0.000 14.327 0.000) 14.327 1.248 ( -0.000 17.535 0.000) 17.535 1.541 ( 0.000 -12.979 0.000) 12.979 1.924 ( 0.000 -10.758 0.000) 10.758 2.479 ( -0.000 33.717 0.000) 33.717 2.488 ( 0.000 -0.280 0.000) 0.280 2.903 ( -0.000 2.129 0.000) 2.129 3.506 ( -0.000 2.201 0.000) 2.201 3.836 ( -0.000 1.487 0.000) 1.487 3.890 ( 0.000 -0.395 0.000) 0.395 4.026 ( 0.000 -24.779 0.000) 24.779 5.568 ( -0.000 0.041 0.000) 0.041 6.757 ( 0.000 -0.466 0.000) 0.466 7.690 ( -0.000 2.005 0.000) 2.005 9.578 ( -0.000 0.212 0.000) 0.212 10.646 ( 0.000 -0.379 0.000) 0.379 14.110 ( -0.000 0.810 0.000) 0.810 15.154 ( 0.000 -0.054 0.000) 0.054 17.846 ( 0.000 -1.396 0.000) 1.396 18.279 ( -0.000 0.589 0.000) 0.589 18.688 ( -0.000 0.063 0.000) 0.063 18.884 ( -0.000 1.346 0.000) 1.346 18.930 ( 0.000 -0.842 0.000) 0.842 20.612 ( 0.000 -0.377 0.000) 0.377 ======================= Grid point 61 (35/180) ======================= q-point: (-0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -14.197 0.000 0.000) 14.197 1.349 ( -6.818 0.000 0.000) 6.818 1.581 ( 0.042 -0.000 0.000) 0.042 1.679 ( -1.017 0.000 0.000) 1.017 2.465 ( 1.977 -0.000 0.000) 1.977 2.761 ( 5.294 -0.000 0.000) 5.294 3.255 ( -2.154 0.000 0.000) 2.154 3.438 ( 3.812 -0.000 0.000) 3.812 3.534 ( 0.620 -0.000 0.000) 0.620 3.870 ( -1.697 0.000 0.000) 1.697 3.990 ( -10.193 0.000 0.000) 10.193 5.577 ( -0.902 0.000 0.000) 0.902 6.756 ( -0.448 0.000 0.000) 0.448 7.705 ( 0.950 -0.000 0.000) 0.950 9.616 ( -3.567 0.000 0.000) 3.567 10.642 ( -0.055 0.000 0.000) 0.055 14.121 ( -0.064 0.000 0.000) 0.064 15.154 ( -0.053 0.000 0.000) 0.053 17.827 ( 0.282 -0.000 0.000) 0.282 18.273 ( 1.282 -0.000 0.000) 1.282 18.689 ( -0.026 0.000 0.000) 0.026 18.894 ( 0.666 -0.000 0.000) 0.666 18.922 ( -0.296 0.000 0.000) 0.296 20.571 ( 3.725 -0.000 0.000) 3.725 ======================= Grid point 63 (36/180) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -0.000 12.467 0.000) 12.467 1.341 ( 0.000 -12.072 0.000) 12.072 1.500 ( -0.000 14.630 0.000) 14.630 1.742 ( 0.000 -12.346 0.000) 12.346 2.485 ( 0.000 -0.105 0.000) 0.105 2.802 ( -0.000 4.935 0.000) 4.935 3.098 ( -0.000 24.666 0.000) 24.666 3.530 ( -0.000 0.800 0.000) 0.800 3.622 ( 0.000 -25.939 0.000) 25.939 3.852 ( -0.000 0.555 0.000) 0.555 3.886 ( 0.000 -0.160 0.000) 0.160 5.568 ( -0.000 0.016 0.000) 0.016 6.752 ( 0.000 -0.175 0.000) 0.175 7.711 ( -0.000 0.741 0.000) 0.741 9.581 ( -0.000 0.079 0.000) 0.079 10.642 ( 0.000 -0.141 0.000) 0.141 14.119 ( -0.000 0.303 0.000) 0.303 15.154 ( 0.000 -0.020 0.000) 0.020 17.831 ( 0.000 -0.500 0.000) 0.500 18.285 ( -0.000 0.208 0.000) 0.208 18.689 ( -0.000 0.024 0.000) 0.024 18.899 ( -0.000 0.495 0.000) 0.495 18.921 ( 0.000 -0.315 0.000) 0.315 20.608 ( 0.000 -0.142 0.000) 0.142 ======================= Grid point 125 (37/180) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.243 ( 0.000 0.000 12.254) 12.254 0.446 ( 0.000 0.000 23.754) 23.754 1.195 ( 0.000 0.000 44.953) 44.953 2.073 ( 0.000 0.000 2.390) 2.390 2.506 ( 0.000 0.000 0.208) 0.208 2.856 ( 0.000 0.000 35.984) 35.984 2.919 ( 0.000 0.000 0.221) 0.221 3.358 ( 0.000 0.000 -0.190) 0.190 3.576 ( 0.000 0.000 -11.825) 11.825 3.951 ( 0.000 0.000 -3.221) 3.221 4.005 ( 0.000 0.000 7.588) 7.588 5.836 ( 0.000 0.000 23.922) 23.922 6.730 ( 0.000 0.000 -5.366) 5.366 7.280 ( 0.000 0.000 -26.897) 26.897 9.493 ( 0.000 0.000 -7.114) 7.114 10.500 ( 0.000 0.000 -16.406) 16.406 14.296 ( 0.000 0.000 21.509) 21.509 15.253 ( 0.000 0.000 9.098) 9.098 17.880 ( 0.000 0.000 -4.671) 4.671 18.205 ( 0.000 0.000 -2.838) 2.838 18.724 ( 0.000 0.000 -7.373) 7.373 19.161 ( 0.000 0.000 16.063) 16.063 19.877 ( 0.000 0.000 -12.091) 12.091 21.259 ( 0.000 0.000 -3.441) 3.441 ======================= Grid point 126 (38/180) ======================= q-point: ( 0.09 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 13.048 3.849 12.998) 18.815 0.663 ( 13.836 -21.080 11.017) 27.516 1.254 ( 5.199 -4.231 41.263) 41.804 2.171 ( 10.235 2.071 0.251) 10.446 2.486 ( -1.638 0.142 1.075) 1.965 2.747 ( -6.354 1.248 37.394) 37.951 2.878 ( -1.896 2.570 4.678) 5.664 3.587 ( 13.197 5.024 -10.489) 17.590 3.610 ( 5.154 -0.039 -12.093) 13.146 3.950 ( -1.881 -9.635 -4.501) 10.800 4.050 ( 2.629 -0.659 3.041) 4.074 5.847 ( 1.071 -0.034 24.034) 24.058 6.734 ( 0.424 0.165 -5.268) 5.287 7.282 ( -0.120 -0.696 -26.865) 26.874 9.606 ( 9.869 1.185 -14.992) 17.988 10.499 ( -0.030 0.127 -16.398) 16.398 14.299 ( 0.247 -0.384 21.523) 21.527 15.259 ( -0.076 -1.283 9.115) 9.205 17.871 ( -0.641 0.495 -4.518) 4.590 18.194 ( -1.061 -0.002 -2.981) 3.164 18.724 ( -0.168 -0.383 -7.380) 7.391 19.157 ( -0.268 0.479 15.705) 15.714 19.835 ( -1.634 10.031 -5.077) 11.361 20.627 ( -43.516 7.585 37.408) 57.884 ======================= Grid point 127 (39/180) ======================= q-point: ( 0.18 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 11.093 -0.567 11.621) 16.075 1.081 ( 13.168 -14.503 11.829) 22.883 1.487 ( 13.649 -11.898 26.112) 31.775 2.311 ( 1.781 1.498 -5.373) 5.855 2.512 ( 8.202 2.307 4.933) 9.845 2.647 ( -3.674 0.920 32.910) 33.127 2.811 ( -2.070 4.375 10.304) 11.384 3.677 ( 4.255 -0.562 -11.799) 12.556 3.710 ( 4.513 8.113 -4.317) 10.238 4.013 ( -2.545 -6.696 -14.827) 16.466 4.117 ( 5.902 -2.597 5.672) 8.587 5.875 ( 1.806 -0.046 24.340) 24.407 6.743 ( 0.683 0.298 -5.021) 5.076 7.286 ( -0.244 -1.154 -26.789) 26.815 9.763 ( 8.048 3.342 -17.431) 19.488 10.497 ( -0.059 0.216 -16.379) 16.381 14.310 ( 0.436 -0.660 21.523) 21.537 15.266 ( -0.277 -1.314 9.475) 9.570 17.850 ( -1.060 0.784 -4.103) 4.310 18.170 ( -1.379 0.177 -3.486) 3.753 18.724 ( -0.276 -0.658 -7.386) 7.420 19.144 ( -0.491 0.851 14.715) 14.747 19.564 ( -13.469 18.953 37.418) 44.054 20.086 ( -15.222 -11.247 5.938) 19.836 ======================= Grid point 128 (40/180) ======================= q-point: ( 0.27 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 9.504 -1.390 9.405) 13.442 1.370 ( 9.630 -7.850 19.440) 23.072 1.913 ( 17.213 -17.900 7.975) 26.083 2.256 ( -4.692 -0.257 -3.479) 5.847 2.565 ( -2.003 1.995 29.835) 29.968 2.693 ( 8.811 3.795 2.323) 9.871 2.744 ( -1.373 4.174 15.107) 15.733 3.697 ( 1.233 8.541 -5.457) 10.210 3.763 ( 4.093 -0.411 -10.172) 10.973 3.946 ( -5.027 0.845 -8.355) 9.788 4.292 ( 7.586 -6.529 3.532) 10.613 5.911 ( 1.978 -0.020 24.793) 24.871 6.754 ( 0.708 0.352 -4.752) 4.818 7.290 ( -0.328 -1.227 -26.711) 26.741 9.856 ( 4.936 3.556 -13.924) 15.195 10.494 ( -0.075 0.235 -16.361) 16.363 14.324 ( 0.488 -0.728 21.521) 21.539 15.268 ( -0.318 -0.864 9.820) 9.863 17.823 ( -1.133 0.790 -3.543) 3.803 18.141 ( -1.382 0.551 -4.182) 4.439 18.724 ( -0.300 -0.735 -7.367) 7.410 19.126 ( -0.602 1.005 13.381) 13.433 19.232 ( -9.369 8.550 38.962) 40.975 19.997 ( -5.047 -7.425 -9.541) 13.101 ======================= Grid point 129 (41/180) ======================= q-point: ( 0.36 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 6.578 -0.925 8.416) 10.722 1.588 ( 8.519 -4.861 19.179) 21.541 2.132 ( -5.222 -0.627 -3.682) 6.420 2.351 ( 7.397 -14.614 5.168) 17.176 2.563 ( 6.059 -3.107 28.896) 29.687 2.704 ( 0.658 3.387 14.575) 14.978 2.772 ( 2.989 3.940 1.285) 5.110 3.579 ( -5.848 12.857 -5.665) 15.218 3.831 ( 2.437 -1.035 -11.113) 11.424 3.877 ( -0.736 1.180 -4.699) 4.900 4.477 ( 6.584 -5.551 4.282) 9.618 5.945 ( 1.533 0.004 25.269) 25.315 6.763 ( 0.514 0.292 -4.563) 4.601 7.292 ( -0.293 -0.919 -26.665) 26.682 9.902 ( 2.685 2.483 -10.717) 11.324 10.491 ( -0.063 0.178 -16.342) 16.343 14.338 ( 0.380 -0.561 21.536) 21.547 15.268 ( -0.222 -0.448 9.931) 9.943 17.798 ( -0.857 0.563 -3.001) 3.171 18.112 ( -1.116 0.636 -4.920) 5.085 18.724 ( -0.231 -0.574 -7.324) 7.350 19.065 ( -4.257 3.256 30.689) 31.153 19.109 ( -0.529 0.816 12.165) 12.204 19.974 ( -2.391 -4.140 -11.970) 12.889 ======================= Grid point 130 (42/180) ======================= q-point: ( 0.45 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 2.379 -0.275 8.286) 8.625 1.752 ( 5.204 -2.050 17.830) 18.687 2.032 ( -4.261 0.296 -2.425) 4.912 2.417 ( -0.768 -1.528 22.630) 22.695 2.686 ( 0.157 -1.145 20.651) 20.684 2.757 ( 0.060 1.584 -0.048) 1.586 2.920 ( 14.883 -12.018 2.433) 19.283 3.303 ( -11.475 13.948 -2.622) 18.251 3.867 ( 0.569 -1.078 -12.253) 12.313 3.876 ( 0.771 1.225 -3.893) 4.153 4.599 ( 2.681 -2.136 4.518) 5.671 5.966 ( 0.580 0.005 25.583) 25.590 6.768 ( 0.185 0.115 -4.481) 4.486 7.293 ( -0.118 -0.339 -26.651) 26.653 9.922 ( 0.861 0.876 -9.112) 9.195 10.489 ( -0.024 0.066 -16.326) 16.326 14.346 ( 0.143 -0.210 21.555) 21.557 15.268 ( -0.077 -0.135 9.930) 9.932 17.784 ( -0.319 0.202 -2.661) 2.688 18.093 ( -0.434 0.269 -5.464) 5.487 18.724 ( -0.087 -0.216 -7.288) 7.292 19.001 ( -1.202 0.830 26.624) 26.665 19.098 ( -0.196 0.310 11.196) 11.202 19.967 ( -0.743 -1.358 -12.504) 12.599 ======================= Grid point 137 (43/180) ======================= q-point: ( 0.09 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 10.951 -0.000 14.129) 17.876 0.927 ( 18.969 -0.000 6.891) 20.181 1.399 ( 12.376 -0.000 32.328) 34.616 2.321 ( 0.260 -0.000 -5.457) 5.463 2.530 ( 9.630 -0.000 4.315) 10.553 2.653 ( -4.032 0.000 32.124) 32.376 2.852 ( -2.258 0.000 9.744) 10.003 3.672 ( 4.013 -0.000 -12.262) 12.902 3.858 ( -1.630 0.000 0.625) 1.746 3.861 ( 7.978 -0.000 -17.870) 19.570 4.106 ( 3.406 -0.000 5.133) 6.161 5.874 ( 1.821 -0.000 24.337) 24.405 6.745 ( 0.669 -0.000 -5.003) 5.047 7.277 ( -0.149 0.000 -26.726) 26.726 9.793 ( 8.117 -0.000 -20.217) 21.786 10.499 ( -0.077 0.000 -16.379) 16.379 14.305 ( 0.483 -0.000 21.379) 21.385 15.254 ( 0.050 -0.000 9.077) 9.077 17.856 ( -1.140 0.000 -4.273) 4.423 18.171 ( -1.287 0.000 -3.252) 3.498 18.718 ( -0.228 0.000 -7.299) 7.303 19.151 ( -0.537 0.000 14.986) 14.995 19.849 ( -34.055 0.000 59.766) 68.787 19.869 ( -0.235 0.000 -11.931) 11.933 ======================= Grid point 138 (44/180) ======================= q-point: ( 0.18 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 11.950 3.162 9.616) 15.661 1.254 ( 13.028 -5.860 15.405) 21.009 1.713 ( 17.254 -6.835 15.834) 24.396 2.253 ( -5.389 -0.107 -4.020) 6.724 2.588 ( -2.560 0.831 29.562) 29.684 2.726 ( 8.438 0.938 1.773) 8.673 2.800 ( -1.904 2.260 13.555) 13.873 3.743 ( 3.118 -0.345 -13.616) 13.973 3.827 ( 2.080 5.496 -1.896) 6.174 3.940 ( -1.857 -1.281 -11.421) 11.642 4.205 ( 6.499 -3.734 6.646) 10.017 5.911 ( 2.016 0.001 24.757) 24.839 6.757 ( 0.656 0.130 -4.698) 4.746 7.276 ( -0.092 -0.470 -26.611) 26.616 9.899 ( 4.228 1.646 -16.501) 17.114 10.496 ( -0.129 0.082 -16.369) 16.370 14.317 ( 0.624 -0.270 21.299) 21.310 15.257 ( 0.031 -0.456 9.189) 9.200 17.831 ( -1.316 0.303 -3.795) 4.029 18.147 ( -1.240 0.201 -3.886) 4.084 18.716 ( -0.164 -0.266 -7.250) 7.257 19.137 ( -0.746 0.364 13.777) 13.802 19.354 ( -16.055 5.590 46.156) 49.188 19.889 ( -0.969 -5.026 -10.844) 11.992 ======================= Grid point 139 (45/180) ======================= q-point: ( 0.27 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 10.427 5.573 7.412) 13.954 1.515 ( 10.811 -4.591 19.424) 22.699 2.074 ( 8.789 -9.615 0.784) 13.050 2.160 ( -2.404 -4.072 -0.619) 4.769 2.559 ( 0.919 0.647 33.651) 33.670 2.756 ( 0.329 3.052 12.311) 12.688 2.808 ( 1.111 0.891 1.989) 2.446 3.752 ( -3.216 6.707 -12.732) 14.746 3.824 ( 0.846 2.019 -5.632) 6.043 3.885 ( -0.916 0.076 -5.922) 5.993 4.389 ( 8.308 -5.369 6.230) 11.690 5.946 ( 1.581 0.047 25.206) 25.255 6.766 ( 0.402 0.169 -4.493) 4.514 7.280 ( 0.074 -0.586 -26.564) 26.570 9.938 ( 1.625 1.872 -12.158) 12.408 10.493 ( -0.157 0.083 -16.369) 16.370 14.331 ( 0.616 -0.330 21.333) 21.344 15.261 ( 0.025 -0.411 9.432) 9.441 17.805 ( -1.118 0.342 -3.225) 3.430 18.121 ( -1.189 0.472 -4.586) 4.761 18.717 ( 0.007 -0.331 -7.231) 7.239 19.114 ( -5.937 2.488 30.256) 30.933 19.120 ( -1.978 0.782 16.352) 16.489 19.912 ( 0.006 -3.426 -11.704) 12.196 ======================= Grid point 140 (46/180) ======================= q-point: ( 0.36 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 6.802 8.062 7.009) 12.664 1.726 ( 8.530 -1.576 19.347) 21.202 2.029 ( -4.957 -0.468 -3.183) 5.910 2.322 ( 1.201 -11.071 5.545) 12.440 2.618 ( 1.593 -4.453 36.611) 36.915 2.761 ( -1.833 0.286 2.720) 3.292 2.845 ( 9.377 -0.228 2.932) 9.827 3.527 ( -10.277 13.567 -6.043) 18.061 3.832 ( -1.053 -2.859 -7.972) 8.535 3.893 ( 0.827 0.669 -7.621) 7.695 4.559 ( 5.650 -2.802 5.333) 8.259 5.967 ( 0.629 0.097 25.546) 25.553 6.769 ( 0.014 0.082 -4.449) 4.450 7.288 ( 0.345 -0.332 -26.587) 26.591 9.938 ( -0.305 1.062 -9.610) 9.674 10.490 ( -0.145 0.009 -16.366) 16.366 14.343 ( 0.458 -0.156 21.471) 21.477 15.265 ( 0.089 -0.232 9.698) 9.701 17.787 ( -0.625 0.154 -2.753) 2.828 18.099 ( -0.715 0.403 -5.305) 5.368 18.721 ( 0.234 -0.159 -7.253) 7.259 19.015 ( -2.602 0.885 27.647) 27.783 19.102 ( -0.648 0.232 11.368) 11.388 19.943 ( 1.251 -1.523 -12.251) 12.409 ======================= Grid point 141 (47/180) ======================= q-point: (-0.55 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 1.993 9.665 7.430) 12.353 1.793 ( -2.037 3.273 15.543) 16.014 2.015 ( 3.821 -1.952 -0.191) 4.295 2.391 ( 0.661 -5.288 20.204) 20.895 2.655 ( -1.116 -5.367 21.652) 22.336 2.705 ( -4.133 -2.844 1.711) 5.301 3.088 ( 5.974 -0.921 1.373) 6.198 3.208 ( -6.538 10.647 -1.859) 12.632 3.827 ( -2.204 -4.189 -7.456) 8.832 3.889 ( -0.725 0.840 -8.745) 8.815 4.622 ( 0.075 0.894 4.516) 4.604 5.967 ( -0.537 0.118 25.616) 25.622 6.766 ( -0.372 -0.113 -4.530) 4.547 7.298 ( 0.627 0.216 -26.657) 26.666 9.913 ( -2.032 -0.320 -8.808) 9.045 10.488 ( -0.102 -0.111 -16.362) 16.362 14.349 ( 0.200 0.200 21.653) 21.655 15.268 ( 0.217 -0.033 10.001) 10.004 17.781 ( -0.008 -0.187 -2.558) 2.565 18.091 ( 0.115 0.002 -5.716) 5.717 18.727 ( 0.443 0.207 -7.325) 7.341 18.990 ( -0.017 -0.512 25.821) 25.826 19.093 ( -0.310 -0.291 11.003) 11.011 19.983 ( 2.620 0.703 -12.600) 12.889 ======================= Grid point 142 (48/180) ======================= q-point: (-0.45 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -2.528 10.118 7.816) 13.033 1.668 ( -6.256 5.547 15.486) 17.599 2.131 ( 6.070 -0.705 -1.019) 6.195 2.441 ( 1.582 -1.417 29.368) 29.444 2.645 ( -6.295 -2.736 5.227) 8.628 2.658 ( -5.558 -6.577 1.434) 8.730 2.781 ( -9.739 16.709 11.563) 22.533 3.398 ( 8.180 -9.690 -2.064) 12.848 3.824 ( -1.482 -3.504 -9.928) 10.632 3.857 ( -1.600 -0.112 -6.621) 6.813 4.552 ( -5.235 3.974 3.812) 7.598 5.946 ( -1.497 0.103 25.354) 25.398 6.758 ( -0.662 -0.329 -4.669) 4.728 7.307 ( 0.785 0.906 -26.751) 26.778 9.867 ( -3.736 -1.910 -9.396) 10.290 10.488 ( -0.048 -0.237 -16.365) 16.367 14.347 ( -0.069 0.619 21.809) 21.818 15.273 ( 0.398 0.203 10.353) 10.362 17.789 ( 0.534 -0.598 -2.715) 2.831 18.103 ( 0.926 -0.477 -5.561) 5.658 18.733 ( 0.559 0.651 -7.434) 7.483 19.021 ( 2.156 -2.357 27.754) 27.937 19.096 ( 0.064 -0.912 11.510) 11.547 20.031 ( 4.181 3.084 -12.579) 13.609 ======================= Grid point 143 (49/180) ======================= q-point: (-0.36 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -6.078 9.924 8.284) 14.284 1.491 ( -6.927 7.972 18.570) 21.363 2.197 ( -6.251 12.236 -2.204) 13.916 2.277 ( -5.485 6.955 1.688) 9.017 2.533 ( 1.226 -1.930 32.809) 32.888 2.592 ( -8.824 -8.803 5.420) 13.591 2.704 ( 0.972 -0.423 11.722) 11.770 3.562 ( 1.775 -8.174 -2.446) 8.715 3.774 ( -3.900 0.686 -12.234) 12.858 3.907 ( 4.111 -4.397 -6.818) 9.095 4.386 ( -8.017 5.288 2.612) 9.953 5.912 ( -1.942 0.084 24.872) 24.948 6.747 ( -0.795 -0.473 -4.852) 4.939 7.312 ( 0.735 1.535 -26.856) 26.909 9.801 ( -5.550 -3.260 -11.034) 12.774 10.489 ( -0.004 -0.332 -16.374) 16.378 14.338 ( -0.259 0.961 21.898) 21.921 15.280 ( 0.600 0.553 10.648) 10.679 17.808 ( 0.848 -0.989 -3.147) 3.405 18.131 ( 1.438 -0.726 -4.970) 5.224 18.737 ( 0.545 1.014 -7.540) 7.627 19.106 ( 1.001 -2.012 15.628) 15.789 19.118 ( 4.109 -5.515 30.041) 30.818 20.097 ( 6.492 5.277 -11.276) 14.040 ======================= Grid point 144 (50/180) ======================= q-point: (-0.27 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -8.537 9.238 8.928) 15.425 1.287 ( -7.010 11.761 18.665) 23.148 1.768 ( -13.972 23.136 12.127) 29.624 2.265 ( -6.931 -4.938 -4.403) 9.582 2.470 ( -3.841 -2.553 4.417) 6.387 2.613 ( 2.565 -3.940 40.768) 41.038 2.754 ( 3.000 -2.075 5.766) 6.823 3.602 ( -3.122 -5.707 -1.791) 6.747 3.692 ( -3.884 1.021 -12.692) 13.312 4.028 ( 4.393 -3.026 -9.235) 10.665 4.195 ( -7.115 5.254 -0.924) 8.893 5.876 ( -1.779 0.085 24.379) 24.444 6.736 ( -0.719 -0.507 -5.073) 5.149 7.310 ( 0.506 1.898 -26.951) 27.023 9.706 ( -7.484 -3.596 -12.725) 15.194 10.492 ( 0.017 -0.370 -16.386) 16.390 14.324 ( -0.307 1.119 21.910) 21.941 15.286 ( 0.709 1.115 10.590) 10.672 17.834 ( 0.860 -1.250 -3.684) 3.985 18.164 ( 1.519 -0.561 -4.266) 4.563 18.738 ( 0.415 1.167 -7.592) 7.692 19.126 ( 0.359 -1.494 13.966) 14.050 19.307 ( 7.421 -13.731 37.996) 41.077 20.213 ( 11.476 5.673 -5.301) 13.855 ======================= Grid point 145 (51/180) ======================= q-point: (-0.18 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -9.028 8.606 9.250) 15.528 1.025 ( -7.237 22.235 11.648) 26.123 1.406 ( -6.629 16.858 31.025) 35.926 2.106 ( -10.926 -6.223 0.762) 12.597 2.482 ( 1.799 -0.326 0.845) 2.014 2.698 ( 2.745 -5.151 44.530) 44.911 2.840 ( 4.566 -1.317 1.224) 4.907 3.519 ( -9.409 -2.764 -3.279) 10.340 3.620 ( -2.877 1.034 -12.077) 12.458 4.036 ( -3.577 0.566 7.393) 8.232 4.118 ( 2.606 5.923 -21.015) 21.988 5.848 ( -1.066 0.087 24.048) 24.072 6.729 ( -0.431 -0.445 -5.279) 5.315 7.302 ( 0.222 1.853 -27.001) 27.065 9.579 ( -7.807 -1.865 -11.359) 13.909 10.495 ( 0.016 -0.341 -16.399) 16.403 14.311 ( -0.205 1.042 21.839) 21.864 15.287 ( 0.495 1.875 9.892) 10.081 17.857 ( 0.557 -1.267 -4.168) 4.392 18.193 ( 1.084 -0.249 -3.659) 3.824 18.735 ( 0.216 1.069 -7.567) 7.645 19.143 ( 0.228 -1.327 15.117) 15.177 19.574 ( 5.169 -20.248 26.565) 33.799 20.501 ( 20.555 -6.301 11.233) 24.256 ======================= Grid point 146 (52/180) ======================= q-point: (-0.09 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( -0.000 9.540 9.562) 13.507 0.735 ( -0.000 28.443 13.048) 31.293 1.256 ( -0.000 8.498 41.570) 42.430 2.036 ( 0.000 -4.618 2.636) 5.317 2.504 ( 0.000 -0.248 0.181) 0.307 2.782 ( 0.000 -7.406 41.557) 42.212 2.914 ( 0.000 -0.483 0.678) 0.832 3.373 ( -0.000 1.797 -0.393) 1.840 3.583 ( -0.000 0.900 -11.881) 11.915 4.004 ( 0.000 -0.100 7.639) 7.639 4.075 ( -0.000 10.914 -17.602) 20.711 5.837 ( -0.000 0.065 23.935) 23.935 6.728 ( 0.000 -0.320 -5.367) 5.376 7.291 ( -0.000 1.395 -26.969) 27.005 9.494 ( -0.000 0.115 -7.137) 7.138 10.498 ( 0.000 -0.252 -16.406) 16.408 14.302 ( -0.000 0.764 21.690) 21.704 15.275 ( -0.000 2.253 9.162) 9.435 17.872 ( 0.000 -0.984 -4.474) 4.581 18.205 ( 0.000 -0.064 -3.214) 3.214 18.730 ( -0.000 0.775 -7.482) 7.522 19.154 ( 0.000 -0.954 15.752) 15.781 19.759 ( 0.000 -15.180 4.571) 15.853 20.939 ( 0.000 -29.195 12.843) 31.895 ======================= Grid point 149 (53/180) ======================= q-point: ( 0.18 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 12.049 -0.000 6.616) 13.746 1.468 ( 12.013 -0.000 17.898) 21.555 1.978 ( 12.382 -0.000 6.234) 13.863 2.142 ( -6.130 0.000 -3.242) 6.935 2.565 ( 0.219 -0.000 33.794) 33.795 2.785 ( 0.150 -0.000 11.469) 11.470 2.810 ( 0.341 -0.000 2.043) 2.071 3.774 ( -0.108 0.000 -12.602) 12.603 3.874 ( 1.532 -0.000 -4.624) 4.871 3.887 ( -4.884 0.000 -9.155) 10.376 4.339 ( 9.570 -0.000 8.327) 12.686 5.946 ( 1.604 -0.000 25.183) 25.234 6.768 ( 0.361 -0.000 -4.469) 4.483 7.276 ( 0.210 -0.000 -26.519) 26.520 9.953 ( 1.151 -0.000 -12.813) 12.865 10.493 ( -0.194 0.000 -16.390) 16.391 14.328 ( 0.704 -0.000 21.258) 21.270 15.258 ( 0.151 -0.000 9.206) 9.207 17.808 ( -1.219 0.000 -3.310) 3.528 18.125 ( -1.199 0.000 -4.506) 4.663 18.714 ( 0.092 -0.000 -7.195) 7.195 19.123 ( -0.914 0.000 12.565) 12.598 19.139 ( -8.666 0.000 35.862) 36.894 19.883 ( 1.363 -0.000 -11.809) 11.888 ======================= Grid point 150 (54/180) ======================= q-point: ( 0.27 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 10.205 7.243 5.080) 13.506 1.696 ( 11.022 -2.126 19.159) 22.205 2.026 ( -5.658 0.313 -2.748) 6.298 2.147 ( 2.237 -8.273 0.096) 8.571 2.586 ( 0.602 -0.602 42.754) 42.762 2.766 ( -3.906 0.202 2.988) 4.922 2.851 ( 7.790 0.418 3.404) 8.512 3.694 ( -7.548 7.659 -8.259) 13.559 3.783 ( -4.563 -3.490 -7.125) 9.152 3.899 ( 0.885 0.146 -8.012) 8.062 4.522 ( 8.039 -1.506 6.566) 10.488 5.968 ( 0.663 0.058 25.519) 25.528 6.770 ( -0.087 0.029 -4.437) 4.438 7.284 ( 0.619 -0.140 -26.524) 26.531 9.951 ( -1.059 0.488 -10.013) 10.080 10.490 ( -0.218 -0.007 -16.425) 16.427 14.342 ( 0.645 -0.057 21.424) 21.434 15.262 ( 0.213 -0.117 9.483) 9.486 17.788 ( -0.810 0.057 -2.807) 2.922 18.104 ( -0.881 0.196 -5.254) 5.331 18.719 ( 0.423 -0.058 -7.232) 7.245 19.025 ( -3.638 0.401 28.422) 28.656 19.105 ( -0.910 0.085 11.464) 11.500 19.925 ( 2.641 -0.694 -12.040) 12.346 ======================= Grid point 151 (55/180) ======================= q-point: ( 0.36 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 5.667 13.835 5.279) 15.856 1.850 ( 1.255 3.809 13.638) 14.215 1.971 ( 2.895 -3.729 3.089) 5.641 2.237 ( -0.437 -13.087 3.273) 13.497 2.580 ( -2.367 -2.723 36.674) 36.851 2.682 ( -4.752 -0.766 3.698) 6.070 3.050 ( 11.506 -1.309 1.909) 11.737 3.428 ( -10.825 13.726 -3.913) 17.913 3.743 ( -4.333 -6.675 -6.479) 10.262 3.898 ( -0.880 0.309 -9.443) 9.489 4.628 ( 2.171 0.035 5.025) 5.474 5.969 ( -0.512 0.127 25.637) 25.642 6.765 ( -0.516 -0.071 -4.580) 4.610 7.300 ( 1.019 0.085 -26.618) 26.637 9.911 ( -2.891 0.020 -8.728) 9.195 10.486 ( -0.192 -0.089 -16.444) 16.445 14.352 ( 0.462 0.122 21.732) 21.737 15.267 ( 0.308 -0.087 9.931) 9.936 17.778 ( -0.254 -0.112 -2.478) 2.493 18.092 ( -0.147 0.112 -5.952) 5.955 18.730 ( 0.721 0.127 -7.353) 7.389 18.985 ( -0.826 -0.211 25.383) 25.397 19.090 ( -0.706 -0.175 10.852) 10.877 19.989 ( 3.952 0.194 -12.538) 13.147 ======================= Grid point 152 (56/180) ======================= q-point: (-0.55 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 0.227 16.434 5.858) 17.449 1.755 ( -4.569 5.442 9.211) 11.633 2.110 ( 6.559 -1.921 4.572) 8.223 2.337 ( -0.163 -13.179 16.472) 21.096 2.534 ( -6.145 -4.917 21.020) 22.445 2.617 ( -3.017 -1.535 5.717) 6.644 3.073 ( -9.631 18.312 2.553) 20.848 3.293 ( 8.292 -3.769 -0.494) 9.122 3.731 ( -2.570 -8.037 -6.098) 10.411 3.862 ( -2.538 0.361 -10.048) 10.370 4.598 ( -4.326 2.091 4.190) 6.375 5.948 ( -1.489 0.156 25.433) 25.477 6.753 ( -0.801 -0.260 -4.783) 4.857 7.319 ( 1.247 0.627 -26.783) 26.819 9.845 ( -4.488 -0.992 -8.617) 9.766 10.484 ( -0.136 -0.207 -16.439) 16.441 14.356 ( 0.216 0.478 22.066) 22.072 15.275 ( 0.461 -0.010 10.520) 10.530 17.781 ( 0.252 -0.448 -2.457) 2.511 18.098 ( 0.668 -0.224 -6.292) 6.331 18.743 ( 0.883 0.519 -7.521) 7.591 18.993 ( 0.996 -1.280 25.741) 25.792 19.083 ( -0.372 -0.721 10.965) 10.995 20.068 ( 5.218 1.688 -13.030) 14.137 ======================= Grid point 153 (57/180) ======================= q-point: (-0.45 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -4.335 15.965 6.297) 17.701 1.615 ( -4.824 7.874 13.491) 16.349 2.213 ( 1.089 -3.535 -2.854) 4.672 2.397 ( -9.428 -7.964 1.845) 12.478 2.433 ( -1.476 -2.486 35.652) 35.769 2.563 ( -3.337 3.217 5.207) 6.971 2.789 ( -3.238 14.239 10.342) 17.894 3.457 ( 4.366 -5.258 -1.129) 6.927 3.768 ( -1.480 -3.905 -11.296) 12.043 3.821 ( -0.185 -4.411 -6.639) 7.973 4.450 ( -8.699 3.092 3.456) 9.858 5.914 ( -1.936 0.141 24.972) 25.047 6.740 ( -0.889 -0.446 -4.973) 5.071 7.335 ( 1.192 1.342 -26.980) 27.039 9.760 ( -5.800 -2.014 -9.190) 11.052 10.484 ( -0.074 -0.325 -16.422) 16.425 14.353 ( -0.008 0.892 22.317) 22.335 15.285 ( 0.659 0.102 11.182) 11.202 17.794 ( 0.564 -0.872 -2.742) 2.932 18.120 ( 1.278 -0.649 -6.152) 6.317 18.753 ( 0.844 0.993 -7.691) 7.801 19.043 ( 2.533 -3.365 28.788) 29.094 19.087 ( -0.045 -1.344 11.776) 11.852 20.159 ( 6.557 2.961 -13.006) 14.863 ======================= Grid point 154 (58/180) ======================= q-point: (-0.36 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -7.557 14.261 6.625) 17.446 1.457 ( -4.300 10.569 17.449) 20.849 2.104 ( -13.356 5.518 1.581) 14.537 2.184 ( -8.600 6.847 -1.900) 11.156 2.444 ( 0.510 -1.067 6.048) 6.163 2.539 ( 1.099 -4.095 44.617) 44.817 2.755 ( 3.676 2.371 3.440) 5.564 3.530 ( -0.344 -3.760 -1.118) 3.938 3.707 ( -3.669 0.938 -12.893) 13.437 3.941 ( 4.366 -8.282 -8.171) 12.427 4.253 ( -9.148 2.390 1.353) 9.551 5.877 ( -1.766 0.122 24.460) 24.524 6.728 ( -0.764 -0.562 -5.148) 5.235 7.341 ( 0.864 2.008 -27.148) 27.236 9.660 ( -6.579 -2.304 -9.715) 11.957 10.486 ( -0.028 -0.411 -16.407) 16.412 14.343 ( -0.135 1.228 22.423) 22.457 15.297 ( 0.798 0.310 11.674) 11.706 17.814 ( 0.624 -1.281 -3.195) 3.499 18.153 ( 1.473 -0.916 -5.645) 5.905 18.758 ( 0.623 1.371 -7.806) 7.950 19.100 ( 0.158 -1.746 12.930) 13.048 19.144 ( 3.779 -7.606 33.529) 34.588 20.274 ( 8.282 2.629 -11.358) 14.301 ======================= Grid point 155 (59/180) ======================= q-point: (-0.27 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -7.430 12.827 6.711) 16.272 1.295 ( -2.896 13.884 18.638) 23.420 1.774 ( -6.091 27.453 11.293) 30.303 1.986 ( -11.571 -8.327 1.965) 14.390 2.478 ( 1.886 -0.093 0.726) 2.023 2.603 ( 0.902 -6.648 47.613) 48.084 2.836 ( 5.390 0.523 0.829) 5.478 3.497 ( -4.894 -0.512 -1.660) 5.193 3.639 ( -2.503 1.351 -12.495) 12.815 4.029 ( -1.696 -1.743 4.041) 4.716 4.140 ( -0.348 -2.622 -16.461) 16.672 5.849 ( -1.055 0.119 24.099) 24.122 6.721 ( -0.443 -0.591 -5.300) 5.351 7.336 ( 0.404 2.388 -27.226) 27.334 9.556 ( -5.619 -1.153 -8.892) 10.582 10.489 ( -0.004 -0.446 -16.403) 16.409 14.330 ( -0.128 1.382 22.362) 22.405 15.307 ( 0.633 0.736 11.545) 11.586 17.835 ( 0.427 -1.550 -3.654) 3.992 18.184 ( 1.054 -0.858 -4.983) 5.165 18.756 ( 0.308 1.512 -7.822) 7.973 19.117 ( 0.148 -1.863 14.064) 14.188 19.299 ( 3.492 -14.126 36.076) 38.900 20.438 ( 9.210 -2.477 -6.332) 11.448 ======================= Grid point 156 (60/180) ======================= q-point: (-0.18 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -0.000 12.577 7.023) 14.405 1.135 ( -0.000 20.051 14.929) 24.998 1.504 ( -0.000 24.941 24.329) 34.842 1.935 ( 0.000 -8.358 3.279) 8.978 2.500 ( 0.000 -0.329 0.166) 0.369 2.667 ( 0.000 -7.287 45.863) 46.438 2.905 ( 0.000 -0.552 0.455) 0.716 3.410 ( -0.000 2.818 -0.839) 2.940 3.602 ( -0.000 1.484 -12.084) 12.174 4.002 ( 0.000 -0.177 7.782) 7.784 4.171 ( -0.000 0.319 -23.834) 23.836 5.838 ( -0.000 0.112 23.970) 23.970 6.721 ( 0.000 -0.545 -5.368) 5.396 7.321 ( -0.000 2.328 -27.171) 27.271 9.496 ( -0.000 0.195 -7.200) 7.203 10.493 ( 0.000 -0.422 -16.406) 16.411 14.318 ( -0.000 1.310 22.148) 22.187 15.306 ( -0.000 1.437 10.670) 10.766 17.851 ( 0.000 -1.557 -4.003) 4.295 18.201 ( 0.000 -0.564 -4.287) 4.323 18.747 ( -0.000 1.388 -7.733) 7.856 19.133 ( 0.000 -1.693 14.878) 14.974 19.468 ( 0.000 -19.134 31.393) 36.764 20.611 ( 0.000 -12.702 1.439) 12.783 ======================= Grid point 161 (61/180) ======================= q-point: ( 0.27 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 8.277 -0.000 3.712) 9.071 1.890 ( 10.418 -0.000 20.115) 22.652 1.922 ( -5.252 0.000 -1.551) 5.477 2.103 ( -2.410 0.000 -1.560) 2.870 2.562 ( -2.513 0.000 41.453) 41.529 2.677 ( -4.952 0.000 3.223) 5.908 3.042 ( 11.096 -0.000 1.770) 11.236 3.591 ( -9.259 0.000 -3.460) 9.884 3.636 ( -6.177 0.000 -7.298) 9.561 3.900 ( -0.904 0.000 -9.624) 9.667 4.628 ( 3.005 -0.000 5.351) 6.138 5.970 ( -0.504 0.000 25.643) 25.648 6.764 ( -0.570 0.000 -4.601) 4.637 7.301 ( 1.166 -0.000 -26.593) 26.619 9.911 ( -3.209 0.000 -8.730) 9.301 10.485 ( -0.224 0.000 -16.487) 16.488 14.353 ( 0.560 -0.000 21.762) 21.770 15.266 ( 0.340 -0.000 9.878) 9.884 17.777 ( -0.345 0.000 -2.447) 2.471 18.094 ( -0.251 0.000 -6.049) 6.054 18.731 ( 0.826 -0.000 -7.363) 7.409 18.983 ( -1.113 0.000 25.253) 25.278 19.088 ( -0.855 0.000 10.796) 10.829 19.990 ( 4.440 -0.000 -12.484) 13.250 ======================= Grid point 162 (62/180) ======================= q-point: (-0.64 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 2.396 14.274 4.081) 15.038 1.824 ( -3.962 2.827 1.461) 5.081 2.078 ( 3.521 -3.055 3.586) 5.881 2.095 ( 0.608 -12.774 14.983) 19.699 2.498 ( -4.647 -0.823 35.161) 35.476 2.602 ( -2.764 -0.458 3.219) 4.267 3.234 ( 8.212 0.355 1.366) 8.332 3.360 ( -6.985 13.625 -1.506) 15.385 3.580 ( -5.291 -11.214 -4.737) 13.274 3.866 ( -2.601 0.124 -10.669) 10.982 4.618 ( -3.847 0.597 4.673) 6.082 5.950 ( -1.495 0.076 25.481) 25.525 6.750 ( -0.884 -0.099 -4.859) 4.939 7.326 ( 1.527 0.220 -26.780) 26.824 9.836 ( -4.873 -0.278 -8.311) 9.639 10.482 ( -0.182 -0.083 -16.505) 16.506 14.361 ( 0.386 0.179 22.222) 22.226 15.274 ( 0.469 -0.036 10.524) 10.535 17.776 ( 0.091 -0.165 -2.306) 2.313 18.096 ( 0.479 -0.054 -6.770) 6.788 18.749 ( 1.086 0.199 -7.566) 7.647 18.980 ( 0.520 -0.393 24.769) 24.777 19.075 ( -0.645 -0.275 10.643) 10.666 20.085 ( 5.692 0.515 -13.210) 14.394 ======================= Grid point 163 (63/180) ======================= q-point: (-0.55 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -4.279 18.404 4.411) 19.403 1.724 ( -3.272 5.765 6.099) 9.008 2.072 ( -9.615 -14.977 -3.052) 18.058 2.260 ( 5.862 -5.106 23.344) 24.605 2.417 ( -4.010 -1.012 27.617) 27.925 2.586 ( 0.715 0.415 1.991) 2.156 3.078 ( -5.606 20.100 3.770) 21.205 3.400 ( 5.388 -2.319 -0.480) 5.886 3.618 ( -0.620 -13.183 -4.593) 13.974 3.806 ( -3.524 0.122 -11.370) 11.904 4.483 ( -9.275 1.292 4.588) 10.428 5.916 ( -1.953 0.114 25.052) 25.128 6.734 ( -0.960 -0.270 -5.076) 5.173 7.351 ( 1.552 0.768 -27.051) 27.106 9.738 ( -5.865 -0.862 -8.356) 10.245 10.480 ( -0.119 -0.201 -16.479) 16.481 14.364 ( 0.185 0.534 22.643) 22.650 15.285 ( 0.606 -0.077 11.343) 11.360 17.783 ( 0.363 -0.504 -2.444) 2.522 18.112 ( 1.028 -0.371 -7.223) 7.305 18.766 ( 1.100 0.625 -7.778) 7.880 19.007 ( 1.628 -1.387 26.406) 26.493 19.070 ( -0.352 -0.839 11.054) 11.092 20.191 ( 6.363 1.270 -13.927) 15.364 ======================= Grid point 164 (64/180) ======================= q-point: (-0.45 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -8.464 16.642 4.858) 19.293 1.611 ( -2.699 8.965 11.291) 14.668 1.948 ( -14.424 -13.942 0.267) 20.062 2.360 ( -1.360 3.805 3.118) 5.104 2.390 ( 2.966 -5.438 34.883) 35.428 2.583 ( 0.580 7.455 9.509) 12.097 2.865 ( -0.634 14.136 5.735) 15.269 3.485 ( 1.826 -2.112 -0.705) 2.880 3.710 ( -1.790 -2.661 -12.123) 12.540 3.779 ( 1.569 -10.569 -7.095) 12.826 4.277 ( -11.012 0.916 4.507) 11.934 5.879 ( -1.774 0.119 24.542) 24.606 6.720 ( -0.804 -0.437 -5.224) 5.303 7.369 ( 1.205 1.495 -27.313) 27.381 9.634 ( -5.863 -1.096 -8.394) 10.298 10.480 ( -0.062 -0.318 -16.437) 16.440 14.360 ( 0.025 0.945 22.901) 22.921 15.298 ( 0.685 -0.150 12.168) 12.188 17.796 ( 0.429 -0.933 -2.783) 2.966 18.138 ( 1.224 -0.862 -7.250) 7.403 18.778 ( 0.848 1.139 -7.945) 8.070 19.062 ( 2.213 -3.370 29.482) 29.756 19.075 ( -0.068 -1.463 11.946) 12.035 20.302 ( 6.428 1.122 -14.113) 15.549 ======================= Grid point 165 (65/180) ======================= q-point: (-0.36 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -7.810 14.339 5.247) 17.151 1.489 ( -1.702 11.522 15.717) 19.562 1.801 ( -10.518 -11.919 3.045) 16.185 2.215 ( -3.445 22.007 0.636) 22.285 2.475 ( 2.167 -2.495 15.919) 16.259 2.527 ( -0.195 1.466 35.479) 35.510 2.856 ( 4.075 2.569 1.398) 5.015 3.496 ( -1.412 0.280 -1.207) 1.879 3.659 ( -2.182 1.191 -12.970) 13.206 3.937 ( 3.352 -11.456 -8.205) 14.484 4.094 ( -7.605 -1.605 2.035) 8.034 5.851 ( -1.052 0.121 24.162) 24.185 6.712 ( -0.457 -0.552 -5.326) 5.374 7.372 ( 0.611 2.155 -27.462) 27.553 9.543 ( -4.233 -0.497 -7.934) 9.006 10.482 ( -0.022 -0.409 -16.409) 16.414 14.351 ( -0.041 1.282 22.934) 22.970 15.311 ( 0.536 -0.158 12.650) 12.662 17.812 ( 0.301 -1.337 -3.167) 3.451 18.167 ( 0.900 -1.249 -6.801) 6.973 18.780 ( 0.429 1.534 -8.019) 8.175 19.087 ( 0.032 -1.919 12.845) 12.987 19.141 ( 1.929 -6.789 33.065) 33.810 20.412 ( 5.190 -1.048 -13.064) 14.096 ======================= Grid point 166 (66/180) ======================= q-point: (-0.27 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -0.000 13.543 5.678) 14.685 1.376 ( -0.000 13.149 18.338) 22.565 1.784 ( 0.000 -10.909 4.165) 11.677 1.961 ( -0.000 30.753 5.919) 31.317 2.498 ( -0.000 0.302 0.536) 0.615 2.558 ( 0.000 -6.582 49.234) 49.672 2.900 ( 0.000 -0.027 0.387) 0.388 3.455 ( -0.000 2.849 -1.223) 3.100 3.626 ( -0.000 1.571 -12.482) 12.580 3.999 ( 0.000 -0.209 7.987) 7.990 4.089 ( 0.000 -10.409 -18.735) 21.432 5.840 ( -0.000 0.127 24.017) 24.018 6.712 ( 0.000 -0.603 -5.371) 5.404 7.359 ( -0.000 2.496 -27.429) 27.542 9.500 ( -0.000 0.216 -7.283) 7.286 10.486 ( 0.000 -0.456 -16.404) 16.410 14.340 ( -0.000 1.443 22.737) 22.783 15.317 ( -0.000 0.122 12.407) 12.407 17.826 ( 0.000 -1.578 -3.475) 3.817 18.187 ( 0.000 -1.234 -5.972) 6.098 18.771 ( -0.000 1.662 -7.977) 8.148 19.103 ( 0.000 -2.031 13.639) 13.790 19.231 ( 0.000 -11.105 35.274) 36.981 20.492 ( 0.000 -4.413 -10.305) 11.210 ======================= Grid point 173 (67/180) ======================= q-point: (-0.64 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -3.163 0.000 4.281) 5.323 1.780 ( -2.278 0.000 1.228) 2.588 1.867 ( -11.979 0.000 -1.756) 12.107 2.222 ( 6.650 -0.000 29.185) 29.933 2.409 ( -3.824 0.000 25.451) 25.737 2.588 ( 1.568 -0.000 1.835) 2.414 3.344 ( 1.774 -0.000 3.123) 3.592 3.384 ( -6.310 0.000 -4.219) 7.590 3.405 ( 3.424 -0.000 -0.736) 3.503 3.807 ( -3.573 0.000 -11.814) 12.343 4.493 ( -9.473 0.000 5.057) 10.738 5.917 ( -1.964 0.000 25.082) 25.159 6.732 ( -0.986 0.000 -5.117) 5.211 7.357 ( 1.688 -0.000 -27.072) 27.125 9.732 ( -5.877 0.000 -8.137) 10.037 10.478 ( -0.134 0.000 -16.505) 16.505 14.368 ( 0.256 -0.000 22.766) 22.767 15.284 ( 0.573 -0.000 11.352) 11.367 17.779 ( 0.291 -0.000 -2.334) 2.352 18.109 ( 0.910 -0.000 -7.650) 7.704 18.771 ( 1.204 -0.000 -7.802) 7.895 18.997 ( 1.405 -0.000 25.640) 25.679 19.063 ( -0.479 0.000 10.795) 10.806 20.201 ( 6.276 -0.000 -14.191) 15.517 ======================= Grid point 175 (68/180) ======================= q-point: (-0.55 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -10.086 17.205 3.544) 20.256 1.692 ( -9.038 -8.846 2.004) 12.804 1.737 ( -6.130 -3.440 3.336) 7.781 2.311 ( 0.754 -3.159 53.180) 53.279 2.385 ( 2.076 0.348 -2.162) 3.018 2.647 ( 4.494 1.429 0.827) 4.788 3.161 ( -3.065 20.650 1.565) 20.935 3.453 ( 2.456 -4.886 0.056) 5.469 3.516 ( 2.000 -13.606 -2.632) 14.002 3.739 ( -3.472 0.053 -12.704) 13.170 4.286 ( -11.773 0.247 5.984) 13.209 5.881 ( -1.789 0.050 24.591) 24.656 6.715 ( -0.827 -0.165 -5.272) 5.339 7.385 ( 1.413 0.549 -27.404) 27.446 9.624 ( -5.516 -0.305 -7.957) 9.687 10.477 ( -0.079 -0.120 -16.459) 16.460 14.370 ( 0.121 0.354 23.189) 23.192 15.295 ( 0.579 -0.118 12.249) 12.263 17.786 ( 0.322 -0.339 -2.547) 2.590 18.128 ( 0.996 -0.349 -8.334) 8.400 18.791 ( 1.005 0.451 -7.996) 8.072 19.031 ( 1.742 -0.898 27.535) 27.604 19.058 ( -0.256 -0.590 11.275) 11.293 20.313 ( 5.625 0.309 -15.130) 16.145 ======================= Grid point 176 (69/180) ======================= q-point: (-0.45 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -9.412 14.434 3.833) 17.653 1.600 ( -8.741 -12.482 4.523) 15.895 1.647 ( -1.762 7.189 8.181) 11.033 2.328 ( -0.762 -3.004 37.259) 37.388 2.439 ( 2.495 -0.316 7.295) 7.716 2.687 ( 2.560 9.813 3.401) 10.697 2.973 ( -0.302 15.631 4.017) 16.142 3.501 ( 0.840 0.134 -0.978) 1.296 3.664 ( -0.096 -4.854 -11.106) 12.121 3.706 ( 0.284 -12.967 -8.110) 15.297 4.084 ( -8.708 -0.174 7.029) 11.192 5.853 ( -1.058 0.078 24.210) 24.233 6.705 ( -0.468 -0.332 -5.347) 5.377 7.399 ( 0.773 1.264 -27.636) 27.676 9.539 ( -3.562 -0.156 -7.640) 8.431 10.477 ( -0.033 -0.243 -16.414) 16.416 14.367 ( 0.027 0.766 23.375) 23.388 15.306 ( 0.413 -0.317 12.956) 12.967 17.795 ( 0.215 -0.760 -2.826) 2.935 18.150 ( 0.697 -0.911 -8.476) 8.553 18.800 ( 0.544 1.002 -8.113) 8.193 19.062 ( -0.037 -1.284 12.710) 12.775 19.074 ( 1.277 -2.429 29.039) 29.168 20.402 ( 3.693 -0.414 -15.502) 15.941 ======================= Grid point 177 (70/180) ======================= q-point: (-0.36 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -0.000 13.530 4.567) 14.280 1.561 ( -0.000 10.622 12.599) 16.479 1.604 ( 0.000 -12.161 5.311) 13.270 2.314 ( -0.000 7.340 12.160) 14.204 2.471 ( 0.000 -2.134 22.984) 23.083 2.588 ( -0.000 14.738 14.906) 20.962 2.918 ( -0.000 3.712 1.845) 4.145 3.494 ( -0.000 2.064 -1.378) 2.482 3.648 ( -0.000 1.169 -13.005) 13.057 3.866 ( 0.000 -17.829 -11.088) 20.996 3.996 ( 0.000 -0.173 8.198) 8.200 5.842 ( -0.000 0.101 24.062) 24.063 6.703 ( 0.000 -0.468 -5.373) 5.394 7.394 ( -0.000 1.879 -27.659) 27.722 9.503 ( -0.000 0.167 -7.359) 7.361 10.479 ( 0.000 -0.346 -16.400) 16.404 14.360 ( -0.000 1.110 23.282) 23.308 15.314 ( 0.000 -0.407 13.148) 13.154 17.805 ( 0.000 -1.136 -3.049) 3.254 18.166 ( 0.000 -1.314 -7.906) 8.015 18.796 ( -0.000 1.412 -8.124) 8.246 19.073 ( 0.000 -1.770 12.561) 12.685 19.114 ( 0.000 -4.632 31.758) 32.094 20.448 ( 0.000 -1.686 -14.822) 14.918 ======================= Grid point 186 (71/180) ======================= q-point: (-0.55 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -13.349 0.000 0.590) 13.362 1.438 ( -5.545 0.000 7.686) 9.478 1.714 ( -0.921 0.000 2.932) 3.074 2.291 ( -0.593 0.000 50.991) 50.994 2.439 ( 2.368 -0.000 1.209) 2.659 2.746 ( 4.511 -0.000 -1.073) 4.637 3.218 ( -2.247 0.000 -2.224) 3.162 3.436 ( 2.773 -0.000 2.077) 3.464 3.513 ( 0.921 -0.000 -1.524) 1.781 3.684 ( -2.233 0.000 -13.435) 13.619 4.083 ( -8.824 0.000 7.626) 11.663 5.853 ( -1.063 0.000 24.228) 24.251 6.702 ( -0.472 0.000 -5.355) 5.376 7.409 ( 0.835 -0.000 -27.699) 27.712 9.537 ( -3.370 0.000 -7.580) 8.295 10.475 ( -0.036 0.000 -16.416) 16.417 14.373 ( 0.052 -0.000 23.541) 23.541 15.304 ( 0.363 -0.000 12.968) 12.973 17.789 ( 0.185 -0.000 -2.704) 2.710 18.142 ( 0.604 -0.000 -9.160) 9.180 18.808 ( 0.594 -0.000 -8.135) 8.156 19.052 ( -0.128 0.000 11.529) 11.530 19.055 ( 1.182 -0.000 28.765) 28.789 20.399 ( 3.298 -0.000 -16.115) 16.449 ======================= Grid point 188 (72/180) ======================= q-point: (-0.45 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -0.000 10.011 2.574) 10.337 1.425 ( 0.000 -9.593 7.399) 12.115 1.687 ( -0.000 4.806 4.714) 6.732 2.297 ( 0.000 -2.781 46.134) 46.218 2.462 ( 0.000 -0.077 3.908) 3.909 2.778 ( -0.000 4.341 -1.272) 4.524 3.101 ( -0.000 18.507 1.725) 18.587 3.516 ( -0.000 0.750 -1.377) 1.568 3.563 ( 0.000 -19.287 -2.595) 19.461 3.661 ( -0.000 0.429 -13.401) 13.408 3.994 ( 0.000 -0.068 8.337) 8.337 5.843 ( -0.000 0.039 24.090) 24.090 6.698 ( 0.000 -0.176 -5.375) 5.378 7.414 ( -0.000 0.695 -27.792) 27.801 9.505 ( -0.000 0.063 -7.404) 7.405 10.475 ( 0.000 -0.129 -16.397) 16.398 14.372 ( -0.000 0.416 23.608) 23.612 15.308 ( 0.000 -0.224 13.249) 13.251 17.793 ( 0.000 -0.410 -2.812) 2.842 18.150 ( 0.000 -0.558 -9.238) 9.255 18.812 ( -0.000 0.571 -8.177) 8.197 19.053 ( 0.000 -0.670 11.947) 11.965 19.072 ( 0.000 -1.226 29.434) 29.460 20.432 ( 0.000 -0.457 -16.308) 16.315 ======================= Grid point 250 (73/180) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 0.000 0.000 13.664) 13.664 0.993 ( 0.000 0.000 29.612) 29.612 1.777 ( 0.000 0.000 16.425) 16.425 2.048 ( 0.000 0.000 -6.305) 6.305 2.511 ( 0.000 0.000 0.186) 0.186 2.921 ( 0.000 0.000 -0.021) 0.021 3.354 ( 0.000 0.000 -0.247) 0.247 3.387 ( 0.000 0.000 -5.380) 5.380 3.874 ( 0.000 0.000 -3.525) 3.525 3.978 ( 0.000 0.000 67.604) 67.604 4.241 ( 0.000 0.000 16.236) 16.236 6.439 ( 0.000 0.000 33.027) 33.027 6.542 ( 0.000 0.000 -43.139) 43.139 6.558 ( 0.000 0.000 -11.679) 11.679 9.275 ( 0.000 0.000 -14.141) 14.141 10.006 ( 0.000 0.000 -31.633) 31.633 14.872 ( 0.000 0.000 32.854) 32.854 15.509 ( 0.000 0.000 15.255) 15.255 17.797 ( 0.000 0.000 -2.752) 2.752 18.125 ( 0.000 0.000 -4.762) 4.762 18.514 ( 0.000 0.000 -12.509) 12.509 19.494 ( 0.000 0.000 -11.732) 11.732 19.589 ( 0.000 0.000 11.210) 11.210 21.154 ( 0.000 0.000 -6.821) 6.821 ======================= Grid point 251 (74/180) ======================= q-point: ( 0.09 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 15.258 -0.694 10.440) 18.501 1.059 ( 3.660 -8.950 26.112) 27.845 1.805 ( 2.282 -2.147 16.165) 16.466 2.104 ( 5.520 1.386 -7.541) 9.448 2.513 ( 0.965 0.267 1.060) 1.458 2.861 ( -4.939 0.299 0.473) 4.970 3.404 ( 2.195 0.178 -6.184) 6.565 3.447 ( 7.493 -0.357 -2.589) 7.936 3.858 ( -1.297 0.730 -1.828) 2.358 3.970 ( -0.787 0.087 65.735) 65.739 4.267 ( 2.710 -0.280 16.515) 16.738 6.451 ( 1.331 -0.014 33.132) 33.159 6.540 ( -0.260 -0.434 -38.387) 38.390 6.569 ( 0.982 0.022 -16.186) 16.215 9.320 ( 4.500 0.106 -15.273) 15.922 10.004 ( -0.116 0.187 -31.761) 31.762 14.876 ( 0.136 -0.694 32.867) 32.874 15.513 ( -0.042 -1.003 15.122) 15.155 17.793 ( -0.327 0.255 -2.531) 2.565 18.112 ( -1.124 0.544 -4.818) 4.977 18.514 ( -0.094 -0.235 -12.492) 12.494 19.487 ( -0.865 -0.187 -8.693) 8.738 19.582 ( -0.337 0.796 8.126) 8.171 20.945 ( -17.139 7.714 2.354) 18.942 ======================= Grid point 252 (75/180) ======================= q-point: ( 0.18 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 12.994 1.819 13.882) 19.101 1.275 ( 9.032 -14.438 13.816) 21.930 1.904 ( 5.575 -4.863 14.004) 15.838 2.175 ( 1.853 0.822 -7.692) 7.955 2.575 ( 6.839 1.768 1.122) 7.152 2.766 ( -4.370 0.743 0.643) 4.479 3.448 ( 2.022 -0.408 -8.162) 8.419 3.581 ( 6.390 2.092 -4.625) 8.161 3.819 ( -1.658 2.352 2.224) 3.637 3.951 ( -1.293 -0.637 61.440) 61.457 4.351 ( 5.541 -1.651 16.983) 17.941 6.486 ( 2.216 0.032 32.495) 32.570 6.542 ( 0.051 -0.692 -36.900) 36.907 6.589 ( 1.112 0.005 -16.094) 16.133 9.424 ( 6.454 0.619 -16.910) 18.110 9.999 ( -0.203 0.307 -32.093) 32.095 14.887 ( 0.232 -1.181 32.889) 32.911 15.521 ( -0.156 -1.458 14.935) 15.007 17.782 ( -0.525 0.395 -1.946) 2.054 18.078 ( -1.726 1.042 -5.126) 5.508 18.514 ( -0.148 -0.411 -12.452) 12.460 19.462 ( -1.775 0.146 -0.821) 1.961 19.569 ( -0.195 0.945 0.399) 1.044 20.496 ( -21.371 8.972 16.047) 28.191 ======================= Grid point 253 (76/180) ======================= q-point: ( 0.27 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 8.895 -0.099 16.748) 18.964 1.553 ( 9.213 -9.649 5.342) 14.371 2.058 ( 3.018 -4.183 1.634) 5.411 2.200 ( 3.196 -6.178 2.268) 7.316 2.695 ( 0.802 1.967 1.855) 2.820 2.710 ( 5.637 3.080 -1.216) 6.537 3.472 ( 0.211 0.564 -9.661) 9.680 3.638 ( 1.986 4.223 -6.214) 7.771 3.765 ( -0.608 3.829 9.400) 10.168 3.936 ( -1.203 -1.448 56.588) 56.619 4.496 ( 7.514 -3.387 15.861) 17.875 6.526 ( 1.792 0.142 14.692) 14.802 6.555 ( 0.920 -0.844 -19.869) 19.908 6.608 ( 0.869 0.074 -14.089) 14.116 9.536 ( 5.857 1.115 -17.222) 18.225 9.992 ( -0.211 0.307 -32.481) 32.483 14.902 ( 0.257 -1.307 32.895) 32.922 15.528 ( -0.255 -1.321 14.940) 15.000 17.769 ( -0.533 0.377 -1.191) 1.358 18.034 ( -1.883 1.403 -5.706) 6.170 18.515 ( -0.153 -0.466 -12.414) 12.424 19.420 ( -2.188 0.730 5.580) 6.038 19.563 ( 0.213 0.671 -4.698) 4.751 20.072 ( -16.750 5.997 20.487) 27.133 ======================= Grid point 254 (77/180) ======================= q-point: ( 0.36 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 6.132 -1.139 16.977) 18.086 1.750 ( 6.545 -3.388 2.584) 7.810 2.034 ( -4.127 -0.638 -5.101) 6.592 2.414 ( 5.755 -14.793 3.477) 16.249 2.712 ( 5.022 2.318 2.709) 6.158 2.788 ( 4.501 3.956 0.064) 5.993 3.416 ( -4.778 5.177 -6.694) 9.718 3.605 ( -0.521 3.150 -5.099) 6.016 3.766 ( 2.334 1.915 5.578) 6.342 3.923 ( -1.239 -0.928 57.644) 57.664 4.661 ( 6.573 -3.365 13.870) 15.713 6.545 ( 0.541 -0.119 -23.731) 23.738 6.588 ( 1.671 -0.436 17.252) 17.338 6.620 ( 0.464 0.134 -11.646) 11.656 9.619 ( 3.835 1.090 -16.675) 17.145 9.987 ( -0.124 0.197 -32.714) 32.715 14.915 ( 0.202 -1.015 32.880) 32.896 15.532 ( -0.236 -0.856 15.082) 15.108 17.758 ( -0.377 0.248 -0.502) 0.675 17.990 ( -1.558 1.276 -6.274) 6.589 18.516 ( -0.114 -0.367 -12.390) 12.396 19.376 ( -1.751 0.830 7.952) 8.185 19.566 ( 0.661 0.752 -1.964) 2.205 19.789 ( -10.136 2.417 15.090) 18.338 ======================= Grid point 255 (78/180) ======================= q-point: ( 0.45 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 2.420 -0.653 17.544) 17.722 1.858 ( 3.758 0.179 -0.128) 3.765 1.962 ( -3.507 -0.935 -3.861) 5.300 2.557 ( 0.524 -7.703 0.519) 7.738 2.747 ( 0.666 3.996 -0.199) 4.056 2.947 ( 11.732 -4.745 2.275) 12.858 3.221 ( -9.785 7.534 -0.210) 12.351 3.592 ( 0.226 0.662 -7.478) 7.511 3.795 ( 1.327 0.604 -1.859) 2.363 3.907 ( -0.740 -0.310 63.919) 63.924 4.770 ( 2.606 -1.374 12.528) 12.870 6.553 ( 0.166 -0.083 -32.491) 32.492 6.614 ( 0.696 -0.141 24.901) 24.911 6.624 ( 0.125 0.080 -9.859) 9.860 9.661 ( 1.303 0.454 -16.253) 16.311 9.985 ( -0.028 0.062 -32.729) 32.729 14.924 ( 0.077 -0.383 32.863) 32.866 15.533 ( -0.095 -0.290 15.196) 15.199 17.752 ( -0.133 0.083 -0.086) 0.179 17.962 ( -0.617 0.517 -6.606) 6.655 18.516 ( -0.042 -0.139 -12.380) 12.380 19.348 ( -0.663 0.356 8.426) 8.459 19.576 ( 1.068 0.889 15.478) 15.541 19.648 ( -4.075 -0.029 -4.237) 5.878 ======================= Grid point 262 (79/180) ======================= q-point: ( 0.09 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 18.368 -0.000 5.231) 19.098 1.109 ( 5.840 -0.000 25.095) 25.766 1.868 ( 5.425 -0.000 15.045) 15.993 2.181 ( 0.814 -0.000 -8.328) 8.368 2.589 ( 7.439 -0.000 0.843) 7.487 2.773 ( -4.212 0.000 0.246) 4.219 3.444 ( 2.080 -0.000 -8.126) 8.388 3.599 ( 7.299 -0.000 -5.515) 9.148 3.830 ( -1.605 0.000 -2.418) 2.902 3.950 ( -1.465 0.000 67.088) 67.104 4.337 ( 5.006 -0.000 17.281) 17.991 6.486 ( 2.287 -0.000 33.595) 33.673 6.536 ( 0.022 -0.000 -39.711) 39.711 6.590 ( 1.152 -0.000 -14.267) 14.313 9.430 ( 6.621 -0.000 -17.232) 18.460 10.001 ( -0.237 0.000 -32.018) 32.018 14.878 ( 0.318 -0.000 32.643) 32.645 15.509 ( 0.016 -0.000 15.171) 15.171 17.786 ( -0.572 0.000 -2.061) 2.139 18.086 ( -1.747 0.000 -4.776) 5.085 18.511 ( -0.119 0.000 -12.340) 12.341 19.463 ( -1.628 0.000 -5.142) 5.393 19.578 ( -0.382 0.000 3.210) 3.233 20.569 ( -23.611 0.000 16.179) 28.622 ======================= Grid point 263 (80/180) ======================= q-point: ( 0.18 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 9.080 5.549 18.234) 21.112 1.392 ( 13.320 -9.627 5.168) 17.229 2.003 ( 7.246 -2.076 10.968) 13.308 2.151 ( -3.068 -1.184 -4.929) 5.925 2.715 ( -1.204 0.715 0.727) 1.578 2.745 ( 7.892 1.153 -0.807) 8.016 3.475 ( 1.088 0.021 -10.325) 10.382 3.689 ( 2.673 1.992 -8.051) 8.714 3.804 ( -0.971 0.985 -1.021) 1.719 3.921 ( -1.417 -0.399 67.451) 67.467 4.458 ( 7.204 -1.385 17.536) 19.009 6.530 ( 2.047 0.413 18.618) 18.734 6.542 ( 0.773 -0.720 -25.531) 25.553 6.610 ( 0.936 0.073 -12.181) 12.218 9.549 ( 5.933 0.475 -17.808) 18.776 9.995 ( -0.323 0.097 -32.412) 32.414 14.888 ( 0.497 -0.483 32.525) 32.532 15.512 ( 0.060 -0.592 15.084) 15.096 17.773 ( -0.634 0.144 -1.349) 1.498 18.049 ( -1.983 0.489 -5.247) 5.631 18.510 ( -0.069 -0.166 -12.238) 12.239 19.426 ( -2.115 0.143 0.624) 2.210 19.572 ( 0.047 0.366 -3.604) 3.622 20.141 ( -19.673 2.473 24.643) 31.630 ======================= Grid point 264 (81/180) ======================= q-point: ( 0.27 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 8.187 4.313 16.400) 18.830 1.674 ( 10.030 -6.239 2.221) 12.019 2.037 ( -3.546 1.320 -3.243) 4.983 2.215 ( 4.256 -10.325 5.521) 12.458 2.738 ( 5.010 1.280 2.663) 5.816 2.833 ( 2.609 1.675 0.156) 3.104 3.473 ( -1.198 2.057 -11.449) 11.694 3.658 ( -3.112 3.309 -5.158) 6.873 3.790 ( 0.730 1.114 0.628) 1.472 3.910 ( -0.467 -0.677 63.679) 63.684 4.616 ( 7.566 -2.260 15.739) 17.608 6.545 ( 0.492 0.032 -34.863) 34.867 6.581 ( 1.934 -0.407 27.268) 27.339 6.622 ( 0.480 0.139 -10.383) 10.395 9.635 ( 3.621 0.817 -17.092) 17.490 9.989 ( -0.315 0.031 -32.756) 32.758 14.903 ( 0.623 -0.597 32.545) 32.556 15.519 ( 0.116 -0.690 15.075) 15.092 17.761 ( -0.505 0.152 -0.632) 0.824 18.007 ( -1.936 0.767 -5.945) 6.299 18.511 ( 0.035 -0.209 -12.226) 12.227 19.385 ( -1.968 0.367 5.087) 5.467 19.576 ( 0.749 0.498 -7.446) 7.500 19.822 ( -12.481 1.702 24.589) 27.628 ======================= Grid point 265 (82/180) ======================= q-point: ( 0.36 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 5.834 5.129 15.992) 17.779 1.858 ( 6.419 -0.760 0.566) 6.489 1.952 ( -4.046 0.071 -3.683) 5.472 2.368 ( 2.031 -14.075 1.896) 14.346 2.799 ( -1.088 2.441 1.818) 3.232 2.910 ( 9.713 -1.055 3.139) 10.263 3.352 ( -7.783 8.403 -5.415) 12.670 3.591 ( -2.254 -0.776 -6.061) 6.513 3.798 ( -0.013 -0.187 -3.382) 3.387 3.908 ( 0.173 0.317 64.858) 64.859 4.749 ( 4.594 -1.214 13.404) 14.221 6.553 ( 0.346 0.067 -36.568) 36.570 6.610 ( 0.820 -0.257 28.485) 28.498 6.626 ( 0.066 0.121 -9.303) 9.304 9.670 ( 0.804 0.639 -16.321) 16.353 9.984 ( -0.237 -0.143 -32.871) 32.872 14.918 ( 0.645 -0.287 32.720) 32.727 15.527 ( 0.237 -0.456 15.156) 15.165 17.753 ( -0.261 0.065 -0.139) 0.303 17.970 ( -1.296 0.494 -6.510) 6.656 18.514 ( 0.162 -0.103 -12.311) 12.312 19.352 ( -1.155 0.232 7.580) 7.671 19.590 ( 0.968 0.899 3.324) 3.577 19.647 ( -5.379 -0.107 9.405) 10.835 ======================= Grid point 266 (83/180) ======================= q-point: (-0.55 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 1.249 6.953 16.657) 18.093 1.861 ( -3.275 0.612 -1.154) 3.526 1.974 ( 4.314 0.498 -3.053) 5.308 2.511 ( 2.205 -11.955 0.302) 12.160 2.732 ( -3.658 1.379 1.547) 4.204 3.065 ( -7.985 8.228 -2.423) 11.719 3.145 ( 6.255 -0.891 4.008) 7.482 3.567 ( -2.061 -2.707 -7.072) 7.848 3.782 ( -2.167 -0.906 -0.969) 2.541 3.916 ( 1.105 0.675 62.188) 62.202 4.789 ( -0.565 1.092 12.154) 12.216 6.555 ( 0.023 0.239 -32.582) 32.583 6.614 ( -0.603 -0.122 26.136) 26.143 6.624 ( -0.150 0.069 -11.065) 11.067 9.657 ( -1.864 -0.055 -16.039) 16.147 9.982 ( -0.163 -0.291 -32.856) 32.858 14.930 ( 0.545 0.359 33.012) 33.019 15.535 ( 0.422 -0.036 15.221) 15.227 17.751 ( -0.001 -0.074 -0.028) 0.079 17.955 ( -0.162 -0.339 -6.798) 6.808 18.518 ( 0.272 0.133 -12.459) 12.463 19.342 ( 0.038 -0.375 9.123) 9.130 19.564 ( -1.700 -0.610 22.575) 22.647 19.648 ( 3.360 -0.014 -12.579) 13.020 ======================= Grid point 267 (84/180) ======================= q-point: (-0.45 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -3.514 7.769 16.184) 18.293 1.787 ( -3.987 1.752 1.713) 4.680 2.048 ( 4.160 0.945 -5.063) 6.621 2.617 ( 2.764 -0.765 0.344) 2.888 2.630 ( -8.578 -0.417 -0.024) 8.588 2.774 ( -10.406 5.697 3.306) 12.315 3.333 ( 7.127 -4.891 -0.877) 8.688 3.556 ( -1.592 -3.665 -5.438) 6.748 3.737 ( -3.454 -1.672 4.886) 6.212 3.935 ( 1.448 0.643 56.493) 56.515 4.713 ( -5.449 3.243 12.400) 13.928 6.549 ( -0.534 0.313 -18.158) 18.169 6.592 ( -1.564 0.054 15.655) 15.733 6.620 ( -0.301 0.125 -15.811) 15.814 9.604 ( -4.148 -0.825 -16.162) 16.706 9.982 ( -0.055 -0.397 -32.826) 32.829 14.932 ( 0.356 1.120 33.322) 33.343 15.543 ( 0.602 0.517 15.154) 15.175 17.754 ( 0.218 -0.257 -0.329) 0.471 17.969 ( 0.937 -1.353 -6.764) 6.962 18.522 ( 0.329 0.423 -12.616) 12.628 19.360 ( 1.202 -1.187 10.435) 10.571 19.554 ( -0.299 -0.732 8.004) 8.043 19.753 ( 7.446 -2.026 1.117) 7.797 ======================= Grid point 268 (85/180) ======================= q-point: (-0.36 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -7.238 7.060 15.290) 18.331 1.672 ( -5.391 5.857 4.474) 9.132 2.103 ( 1.861 1.433 -6.189) 6.620 2.348 ( -11.660 10.919 5.652) 16.945 2.637 ( -6.928 -3.971 1.133) 8.065 2.681 ( 2.833 -0.845 1.161) 3.177 3.452 ( 2.097 -2.111 -6.420) 7.076 3.568 ( -1.198 -4.742 -4.783) 6.841 3.699 ( -1.936 -4.223 12.364) 13.208 3.957 ( 1.437 1.004 52.081) 52.110 4.555 ( -7.869 3.940 13.888) 16.441 6.526 ( -1.795 0.149 17.181) 17.275 6.565 ( -0.952 0.311 -16.008) 16.039 6.610 ( -0.558 0.365 -20.719) 20.729 9.518 ( -5.759 -1.153 -16.432) 17.450 9.986 ( 0.072 -0.492 -32.650) 32.653 14.926 ( 0.153 1.735 33.530) 33.576 15.549 ( 0.664 1.183 14.903) 14.965 17.762 ( 0.368 -0.471 -0.930) 1.106 18.007 ( 1.568 -2.024 -6.463) 6.952 18.524 ( 0.314 0.660 -12.730) 12.751 19.401 ( 1.906 -1.723 11.304) 11.593 19.556 ( -0.006 -0.191 -2.322) 2.330 19.971 ( 12.482 -6.606 11.337) 18.110 ======================= Grid point 269 (86/180) ======================= q-point: (-0.27 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -10.703 5.695 13.636) 18.247 1.491 ( -6.282 12.370 8.390) 16.213 2.022 ( -5.359 10.044 8.746) 14.356 2.152 ( -5.608 -2.118 -4.524) 7.510 2.542 ( -4.740 -1.997 2.243) 5.611 2.757 ( 4.767 -0.208 1.076) 4.891 3.455 ( -1.683 0.525 -8.065) 8.255 3.542 ( -4.559 -2.751 -3.803) 6.543 3.747 ( 1.341 -6.621 13.926) 15.478 3.972 ( 1.268 1.621 49.559) 49.602 4.385 ( -6.814 2.667 15.885) 17.489 6.486 ( -2.139 0.067 31.438) 31.511 6.552 ( -0.233 0.396 -27.240) 27.244 6.593 ( -0.794 0.625 -25.008) 25.028 9.412 ( -6.050 -0.850 -16.214) 17.327 9.992 ( 0.127 -0.543 -32.307) 32.312 14.913 ( 0.003 2.011 33.561) 33.621 15.548 ( 0.525 1.841 14.593) 14.718 17.774 ( 0.401 -0.640 -1.644) 1.809 18.054 ( 1.606 -2.076 -6.015) 6.562 18.524 ( 0.237 0.754 -12.771) 12.796 19.451 ( 1.881 -1.520 10.075) 10.362 19.557 ( 0.021 -0.272 -5.721) 5.728 20.320 ( 16.230 -12.813 13.468) 24.678 ======================= Grid point 270 (87/180) ======================= q-point: (-0.18 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -11.269 5.789 11.702) 17.246 1.274 ( -4.024 16.425 16.371) 23.537 1.876 ( -2.500 7.282 15.142) 16.987 2.061 ( -6.371 -4.233 -6.089) 9.776 2.507 ( -0.417 -0.368 1.314) 1.426 2.855 ( 5.088 -0.300 0.908) 5.177 3.402 ( -3.654 -0.059 -6.376) 7.349 3.456 ( -4.576 0.643 -2.711) 5.357 3.817 ( 0.992 -5.048 10.613) 11.794 3.980 ( 0.922 1.511 51.689) 51.719 4.275 ( -3.405 0.760 16.611) 16.973 6.452 ( -1.311 0.058 32.884) 32.910 6.549 ( 0.198 0.384 -26.644) 26.648 6.572 ( -0.846 0.687 -27.936) 27.957 9.317 ( -4.176 -0.236 -15.074) 15.644 9.998 ( 0.091 -0.504 -31.950) 31.954 14.897 ( -0.051 1.878 33.411) 33.463 15.540 ( 0.236 2.197 14.519) 14.686 17.786 ( 0.274 -0.668 -2.266) 2.378 18.095 ( 1.068 -1.701 -5.568) 5.920 18.521 ( 0.123 0.679 -12.738) 12.757 19.488 ( 1.077 -0.399 2.639) 2.878 19.563 ( 0.093 -1.180 -0.520) 1.293 20.735 ( 13.667 -17.874 6.484) 23.416 ======================= Grid point 271 (88/180) ======================= q-point: (-0.09 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -0.000 6.217 12.585) 14.036 1.114 ( -0.000 14.210 23.644) 27.586 1.810 ( -0.000 4.375 16.204) 16.785 2.023 ( 0.000 -3.255 -5.505) 6.395 2.509 ( 0.000 -0.173 0.299) 0.345 2.917 ( 0.000 -0.376 0.280) 0.469 3.348 ( 0.000 -0.344 -2.575) 2.598 3.404 ( -0.000 1.771 -3.736) 4.134 3.857 ( 0.000 -2.851 4.314) 5.171 3.981 ( -0.000 0.786 58.709) 58.714 4.242 ( -0.000 0.099 16.302) 16.303 6.439 ( -0.000 0.044 32.972) 32.972 6.551 ( -0.000 1.138 -43.263) 43.278 6.556 ( 0.000 -0.309 -11.640) 11.644 9.276 ( -0.000 0.039 -14.173) 14.173 10.003 ( 0.000 -0.374 -31.738) 31.740 14.883 ( -0.000 1.388 33.148) 33.177 15.525 ( -0.000 1.911 14.803) 14.926 17.793 ( 0.000 -0.518 -2.603) 2.654 18.116 ( 0.000 -1.148 -5.171) 5.297 18.518 ( -0.000 0.481 -12.639) 12.648 19.497 ( -0.000 0.330 -6.672) 6.680 19.576 ( 0.000 -1.505 7.399) 7.550 21.018 ( 0.000 -16.391 -2.198) 16.538 ======================= Grid point 274 (89/180) ======================= q-point: ( 0.18 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 8.404 -0.000 16.816) 18.799 1.603 ( 12.343 -0.000 1.099) 12.392 2.067 ( -4.566 0.000 -3.236) 5.596 2.116 ( 4.347 -0.000 7.114) 8.337 2.749 ( 5.011 -0.000 2.253) 5.495 2.845 ( 1.959 -0.000 0.570) 2.040 3.487 ( 0.038 -0.000 -12.326) 12.326 3.687 ( -3.823 0.000 -6.332) 7.396 3.799 ( -0.213 0.000 -3.071) 3.078 3.904 ( 0.073 -0.000 67.877) 67.877 4.597 ( 7.981 -0.000 16.695) 18.505 6.545 ( 0.435 -0.000 -42.409) 42.411 6.578 ( 2.090 -0.000 34.720) 34.783 6.623 ( 0.470 -0.000 -10.233) 10.244 9.641 ( 3.547 -0.000 -17.253) 17.614 9.989 ( -0.400 0.000 -32.804) 32.807 14.898 ( 0.778 -0.000 32.420) 32.430 15.513 ( 0.265 -0.000 15.088) 15.091 17.762 ( -0.555 0.000 -0.681) 0.878 18.013 ( -2.054 0.000 -5.831) 6.183 18.510 ( 0.088 -0.000 -12.166) 12.167 19.388 ( -2.003 0.000 3.808) 4.303 19.580 ( 0.733 -0.000 -8.973) 9.003 19.836 ( -13.421 0.000 27.817) 30.885 ======================= Grid point 275 (90/180) ======================= q-point: ( 0.27 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 7.980 5.035 13.496) 16.467 1.827 ( 9.708 -2.501 -0.074) 10.025 1.973 ( -4.363 2.056 -1.350) 5.009 2.181 ( 0.177 -8.131 3.355) 8.798 2.826 ( -2.592 0.995 2.584) 3.793 2.898 ( 9.585 -0.489 3.160) 10.104 3.455 ( -3.425 4.208 -10.883) 12.160 3.573 ( -6.832 -1.226 -1.885) 7.193 3.793 ( -0.648 -0.258 -3.320) 3.392 3.913 ( 0.721 0.271 63.520) 63.525 4.735 ( 5.858 -0.503 14.240) 15.406 6.554 ( 0.454 0.059 -41.601) 41.604 6.607 ( 0.915 -0.124 34.077) 34.090 6.627 ( 0.015 0.049 -9.823) 9.824 9.678 ( 0.508 0.309 -16.288) 16.299 9.982 ( -0.373 -0.101 -33.090) 33.092 14.915 ( 0.982 -0.106 32.632) 32.647 15.521 ( 0.451 -0.222 15.128) 15.137 17.754 ( -0.340 0.024 -0.170) 0.381 17.976 ( -1.680 0.205 -6.491) 6.708 18.513 ( 0.281 -0.038 -12.271) 12.275 19.355 ( -1.408 0.078 6.973) 7.114 19.601 ( 1.587 0.417 -10.848) 10.972 19.645 ( -6.916 -0.090 24.625) 25.578 ======================= Grid point 276 (91/180) ======================= q-point: ( 0.36 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 4.739 9.745 13.414) 17.244 1.878 ( -3.782 1.767 -0.978) 4.287 1.978 ( 5.428 0.090 -2.186) 5.852 2.287 ( 1.565 -15.045 1.965) 15.253 2.748 ( -4.425 0.597 3.303) 5.554 3.088 ( 8.756 -0.833 1.381) 8.903 3.260 ( -9.116 10.223 -1.521) 13.782 3.507 ( -3.994 -5.152 -6.278) 9.051 3.770 ( -2.229 -0.525 -2.433) 3.341 3.925 ( 0.952 0.513 62.158) 62.168 4.802 ( 0.942 0.569 12.230) 12.280 6.559 ( 0.163 0.227 -36.355) 36.356 6.611 ( -0.580 -0.150 31.379) 31.385 6.625 ( -0.125 0.058 -12.580) 12.580 9.658 ( -2.320 0.135 -15.768) 15.938 9.977 ( -0.277 -0.283 -33.155) 33.157 14.934 ( 1.021 0.216 33.121) 33.137 15.533 ( 0.654 -0.157 15.220) 15.235 17.750 ( -0.100 -0.043 0.019) 0.111 17.952 ( -0.780 -0.139 -7.004) 7.049 18.520 ( 0.454 0.082 -12.523) 12.532 19.337 ( -0.495 -0.243 9.520) 9.536 19.558 ( -2.345 -0.283 25.895) 26.002 19.648 ( 3.084 -0.018 -16.606) 16.890 ======================= Grid point 277 (92/180) ======================= q-point: (-0.55 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -1.261 12.794 13.693) 18.782 1.810 ( -2.640 1.226 0.398) 2.938 2.056 ( 3.297 -0.269 -4.056) 5.234 2.424 ( -1.083 -14.546 0.337) 14.590 2.672 ( -2.621 0.433 3.287) 4.226 2.951 ( -10.296 13.194 -0.148) 16.736 3.278 ( 7.162 -2.168 1.695) 7.673 3.483 ( -2.910 -5.759 -4.751) 8.013 3.718 ( -3.819 -0.769 0.286) 3.906 3.942 ( 1.197 0.282 59.202) 59.215 4.757 ( -4.544 2.241 11.700) 12.750 6.554 ( -0.477 0.388 -19.948) 19.958 6.590 ( -1.673 -0.247 22.109) 22.174 6.623 ( -0.016 0.260 -20.646) 20.648 9.594 ( -4.475 -0.396 -15.706) 16.335 9.976 ( -0.152 -0.424 -33.089) 33.092 14.948 ( 0.876 0.865 33.731) 33.753 15.548 ( 0.858 0.117 15.254) 15.278 17.750 ( 0.084 -0.185 -0.167) 0.263 17.951 ( 0.247 -0.998 -7.283) 7.355 18.528 ( 0.548 0.343 -12.837) 12.853 19.342 ( 0.477 -1.077 11.644) 11.703 19.544 ( 0.170 -0.535 18.915) 18.923 19.729 ( 5.370 -1.151 -12.371) 13.535 ======================= Grid point 278 (93/180) ======================= q-point: (-0.45 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -6.147 12.255 12.541) 18.581 1.743 ( -2.845 3.519 3.191) 5.537 2.102 ( 0.271 -1.872 -5.802) 6.103 2.401 ( -9.718 -5.205 0.367) 11.030 2.645 ( -3.703 1.570 4.905) 6.343 2.720 ( 0.621 10.101 1.009) 10.170 3.409 ( 4.286 -3.317 -0.892) 5.493 3.488 ( -1.438 -5.650 -3.213) 6.657 3.649 ( -4.265 -2.114 5.035) 6.929 3.965 ( 1.358 0.126 54.814) 54.831 4.611 ( -8.153 3.219 12.631) 15.374 6.530 ( -1.868 0.367 18.915) 19.010 6.564 ( -1.126 -0.346 -9.821) 9.891 6.619 ( -0.030 0.743 -28.942) 28.951 9.502 ( -5.699 -0.795 -15.783) 16.799 9.978 ( -0.021 -0.535 -32.911) 32.915 14.953 ( 0.607 1.618 34.241) 34.285 15.562 ( 0.966 0.586 15.076) 15.118 17.755 ( 0.199 -0.404 -0.648) 0.789 17.975 ( 1.011 -2.029 -7.299) 7.643 18.534 ( 0.520 0.665 -13.102) 13.129 19.370 ( 1.176 -2.148 13.653) 13.871 19.557 ( 0.825 0.309 7.461) 7.513 19.880 ( 8.523 -5.002 -2.482) 10.189 ======================= Grid point 279 (94/180) ======================= q-point: (-0.36 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -9.630 10.719 11.176) 18.235 1.644 ( -3.208 7.595 5.565) 9.947 2.073 ( -6.760 -5.666 -5.616) 10.456 2.210 ( -6.790 9.345 4.710) 12.475 2.541 ( -2.329 3.103 5.090) 6.400 2.766 ( 5.115 1.670 1.043) 5.481 3.461 ( -0.653 0.121 -6.997) 7.028 3.496 ( -2.299 -3.484 -3.749) 5.610 3.631 ( -0.523 -7.558 15.038) 16.839 3.989 ( 1.309 0.432 49.388) 49.407 4.428 ( -8.193 2.704 14.602) 16.960 6.488 ( -2.152 0.186 31.369) 31.444 6.552 ( -0.574 -0.345 -17.250) 17.263 6.609 ( -0.175 1.324 -35.328) 35.353 9.400 ( -5.611 -0.703 -15.584) 16.579 9.983 ( 0.060 -0.625 -32.612) 32.618 14.946 ( 0.315 2.224 34.472) 34.545 15.573 ( 0.845 1.237 14.640) 14.716 17.764 ( 0.245 -0.658 -1.262) 1.445 18.016 ( 1.279 -2.733 -7.097) 7.712 18.537 ( 0.381 0.920 -13.231) 13.268 19.415 ( 1.340 -2.967 15.502) 15.840 19.565 ( 0.616 1.195 -2.520) 2.856 20.127 ( 10.920 -11.432 5.334) 16.685 ======================= Grid point 280 (95/180) ======================= q-point: (-0.27 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -9.027 9.966 10.104) 16.820 1.509 ( -2.486 12.877 8.728) 15.754 1.973 ( -7.373 -6.951 -2.836) 10.523 2.036 ( -2.569 12.854 10.027) 16.503 2.510 ( 0.158 1.194 2.648) 2.909 2.857 ( 5.018 0.555 1.136) 5.175 3.404 ( -4.047 0.340 -7.084) 8.165 3.465 ( -1.969 0.507 -2.830) 3.485 3.708 ( 0.799 -8.676 17.224) 19.303 4.004 ( 0.869 1.111 45.067) 45.089 4.289 ( -4.581 1.040 16.325) 16.987 6.453 ( -1.310 0.110 32.685) 32.712 6.547 ( -0.250 -0.439 -14.467) 14.476 6.593 ( -0.245 1.776 -40.340) 40.380 9.313 ( -3.725 -0.224 -14.860) 15.322 9.989 ( 0.060 -0.665 -32.273) 32.280 14.931 ( 0.094 2.497 34.355) 34.446 15.573 ( 0.462 1.935 14.187) 14.326 17.774 ( 0.187 -0.838 -1.840) 2.030 18.060 ( 0.923 -2.819 -6.730) 7.355 18.535 ( 0.186 1.005 -13.192) 13.231 19.461 ( 0.929 -3.068 16.337) 16.648 19.563 ( 0.236 1.239 -8.386) 8.481 20.443 ( 9.239 -18.692 6.761) 21.920 ======================= Grid point 281 (96/180) ======================= q-point: (-0.18 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -0.000 9.920 10.476) 14.427 1.367 ( -0.000 16.501 13.309) 21.199 1.921 ( -0.000 10.275 14.437) 17.720 1.950 ( 0.000 -6.143 -3.397) 7.020 2.508 ( -0.000 0.324 1.015) 1.065 2.913 ( 0.000 -0.140 0.796) 0.808 3.349 ( -0.000 0.548 -5.052) 5.082 3.433 ( -0.000 1.834 -2.978) 3.498 3.778 ( 0.000 -7.208 16.422) 17.934 4.002 ( -0.000 1.572 45.327) 45.354 4.244 ( -0.000 0.169 16.477) 16.478 6.440 ( -0.000 0.084 32.840) 32.840 6.549 ( 0.000 -0.531 -11.549) 11.561 6.575 ( -0.000 1.891 -43.592) 43.633 9.276 ( -0.000 0.067 -14.261) 14.261 9.995 ( 0.000 -0.627 -32.020) 32.026 14.913 ( -0.000 2.366 33.954) 34.036 15.560 ( -0.000 2.366 14.128) 14.324 17.782 ( 0.000 -0.844 -2.218) 2.373 18.089 ( 0.000 -2.387 -6.205) 6.648 18.529 ( -0.000 0.904 -13.009) 13.041 19.490 ( 0.000 -1.899 12.373) 12.518 19.559 ( -0.000 0.074 -7.660) 7.660 20.704 ( 0.000 -22.284 4.229) 22.682 ======================= Grid point 286 (97/180) ======================= q-point: ( 0.27 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 6.763 -0.000 9.617) 11.757 1.908 ( -3.639 0.000 1.784) 4.053 1.978 ( 5.805 -0.000 -1.755) 6.064 2.133 ( 0.241 -0.000 2.521) 2.533 2.752 ( -4.700 0.000 3.711) 5.989 3.082 ( 9.033 -0.000 1.833) 9.217 3.386 ( -10.079 0.000 2.720) 10.440 3.422 ( -3.524 0.000 -11.246) 11.785 3.766 ( -2.146 0.000 -3.389) 4.012 3.930 ( 0.824 -0.000 62.414) 62.420 4.807 ( 1.497 -0.000 12.340) 12.431 6.561 ( 0.216 -0.000 -39.063) 39.064 6.610 ( -0.580 0.000 35.086) 35.090 6.626 ( -0.109 0.000 -13.594) 13.594 9.660 ( -2.499 0.000 -15.637) 15.835 9.975 ( -0.309 0.000 -33.317) 33.319 14.936 ( 1.200 -0.000 33.160) 33.182 15.532 ( 0.737 -0.000 15.215) 15.233 17.749 ( -0.136 0.000 0.036) 0.141 17.950 ( -1.014 0.000 -7.094) 7.166 18.521 ( 0.524 -0.000 -12.548) 12.559 19.335 ( -0.705 0.000 9.642) 9.667 19.555 ( -2.611 0.000 26.817) 26.944 19.648 ( 3.027 -0.000 -17.742) 17.999 ======================= Grid point 287 (98/180) ======================= q-point: (-0.64 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 1.850 11.276 9.806) 15.057 1.829 ( -3.025 1.932 0.891) 3.699 2.016 ( -1.618 -5.835 -1.685) 6.285 2.229 ( 3.545 -7.767 0.866) 8.582 2.674 ( -3.135 0.016 3.869) 4.980 3.117 ( -7.236 6.644 -0.015) 9.824 3.274 ( 4.914 2.228 2.015) 5.760 3.382 ( -3.646 -6.694 -5.936) 9.661 3.711 ( -3.815 -0.172 -3.157) 4.955 3.945 ( 0.897 0.072 62.028) 62.035 4.780 ( -4.054 0.786 11.521) 12.239 6.559 ( -0.357 0.203 -27.599) 27.602 6.587 ( -1.874 -0.161 32.424) 32.478 6.626 ( 0.194 0.113 -23.412) 23.413 9.591 ( -4.692 -0.097 -15.429) 16.127 9.971 ( -0.179 -0.185 -33.321) 33.322 14.958 ( 1.189 0.325 33.975) 33.997 15.548 ( 0.979 -0.016 15.317) 15.348 17.748 ( 0.010 -0.066 -0.066) 0.094 17.940 ( -0.214 -0.363 -7.624) 7.636 18.532 ( 0.689 0.133 -12.975) 12.994 19.329 ( -0.028 -0.433 12.007) 12.015 19.538 ( 0.448 -0.200 25.509) 25.514 19.717 ( 4.332 -0.348 -20.115) 20.579 ======================= Grid point 288 (99/180) ======================= q-point: (-0.55 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -6.109 15.083 9.014) 18.603 1.784 ( -1.424 1.840 1.889) 2.997 2.019 ( -5.422 -9.583 -1.677) 11.137 2.308 ( -0.575 -4.469 -1.266) 4.681 2.649 ( 0.194 -0.080 3.930) 3.936 2.920 ( -3.598 12.699 1.735) 13.313 3.345 ( 0.561 -5.639 -0.381) 5.680 3.408 ( 1.657 -3.587 -1.414) 4.197 3.630 ( -4.902 -0.514 -1.913) 5.288 3.964 ( 1.038 -0.221 59.652) 59.661 4.650 ( -8.358 1.741 12.158) 14.856 6.537 ( -2.041 0.481 21.298) 21.401 6.557 ( -1.142 -0.545 -8.337) 8.432 6.629 ( 0.358 0.521 -33.039) 33.045 9.493 ( -5.691 -0.366 -15.393) 16.415 9.971 ( -0.052 -0.355 -33.167) 33.169 14.973 ( 0.960 0.973 34.798) 34.825 15.568 ( 1.115 0.137 15.305) 15.347 17.750 ( 0.081 -0.224 -0.424) 0.486 17.949 ( 0.432 -1.275 -7.975) 8.088 18.543 ( 0.703 0.426 -13.410) 13.435 19.341 ( 0.503 -1.443 13.914) 13.998 19.563 ( 1.797 0.314 20.161) 20.243 19.821 ( 5.781 -2.553 -16.970) 18.109 ======================= Grid point 289 (100/180) ======================= q-point: (-0.45 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -10.014 13.221 8.005) 18.416 1.734 ( -1.496 4.235 3.736) 5.843 1.946 ( -9.938 -10.203 -0.854) 14.269 2.297 ( -1.008 2.305 -2.719) 3.705 2.633 ( -0.485 6.162 6.007) 8.620 2.831 ( 3.203 7.906 1.687) 8.695 3.410 ( 0.184 -8.266 0.795) 8.306 3.457 ( 1.290 -0.687 -3.273) 3.585 3.548 ( -4.468 -2.589 2.964) 5.954 3.987 ( 1.092 -0.531 55.015) 55.028 4.464 ( -9.262 1.856 13.952) 16.849 6.491 ( -2.248 0.229 32.051) 32.131 6.545 ( -0.667 -0.479 -14.517) 14.540 6.629 ( 0.247 1.129 -39.104) 39.121 9.392 ( -5.291 -0.410 -15.203) 16.103 9.974 ( 0.027 -0.501 -32.919) 32.923 14.978 ( 0.609 1.724 35.342) 35.389 15.586 ( 1.016 0.471 15.030) 15.072 17.755 ( 0.108 -0.466 -0.913) 1.031 17.975 ( 0.775 -2.422 -8.073) 8.464 18.550 ( 0.545 0.785 -13.700) 13.733 19.369 ( 0.723 -2.665 15.579) 15.822 19.589 ( 1.588 1.659 10.116) 10.374 19.979 ( 6.911 -7.554 -8.466) 13.285 ======================= Grid point 290 (101/180) ======================= q-point: (-0.36 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -8.654 11.717 7.762) 16.505 1.663 ( -1.171 7.403 5.265) 9.159 1.846 ( -7.631 -9.225 -0.025) 11.972 2.230 ( -1.138 9.994 0.696) 10.082 2.568 ( 0.072 7.123 6.274) 9.492 2.877 ( 4.412 2.345 1.386) 5.185 3.409 ( -3.109 0.062 -7.808) 8.405 3.471 ( -0.238 0.176 -2.934) 2.949 3.558 ( -0.035 -10.262 14.878) 18.074 4.009 ( 0.776 -0.401 49.217) 49.225 4.305 ( -5.818 0.932 16.002) 17.053 6.455 ( -1.343 0.136 32.665) 32.693 6.539 ( -0.362 -0.545 -12.558) 12.575 6.621 ( 0.062 1.711 -42.685) 42.720 9.310 ( -3.341 -0.140 -14.745) 15.119 9.979 ( 0.039 -0.616 -32.634) 32.640 14.970 ( 0.255 2.333 35.430) 35.507 15.596 ( 0.603 0.985 14.522) 14.567 17.761 ( 0.094 -0.722 -1.393) 1.572 18.011 ( 0.657 -3.243 -7.897) 8.562 18.551 ( 0.275 1.056 -13.749) 13.792 19.406 ( 0.547 -3.604 17.015) 17.401 19.594 ( 0.751 2.529 0.681) 2.725 20.186 ( 5.709 -14.041 -1.097) 15.197 ======================= Grid point 291 (102/180) ======================= q-point: (-0.27 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -0.000 11.405 8.370) 14.147 1.581 ( -0.000 10.704 6.947) 12.761 1.837 ( 0.000 -8.301 -0.586) 8.321 2.119 ( -0.000 14.045 7.258) 15.809 2.531 ( -0.000 3.326 3.670) 4.953 2.916 ( -0.000 0.719 1.232) 1.426 3.364 ( -0.000 1.252 -7.156) 7.265 3.458 ( -0.000 1.307 -2.901) 3.182 3.642 ( 0.000 -10.115 17.404) 20.130 4.018 ( -0.000 0.260 45.126) 45.127 4.247 ( -0.000 0.189 16.702) 16.703 6.441 ( -0.000 0.108 32.716) 32.717 6.540 ( 0.000 -0.599 -11.479) 11.495 6.606 ( -0.000 2.026 -44.019) 44.066 9.278 ( -0.000 0.075 -14.377) 14.377 9.984 ( 0.000 -0.680 -32.395) 32.402 14.953 ( -0.000 2.618 35.053) 35.150 15.592 ( -0.000 1.563 14.125) 14.211 17.769 ( 0.000 -0.872 -1.737) 1.943 18.044 ( 0.000 -3.345 -7.439) 8.156 18.545 ( -0.000 1.131 -13.555) 13.602 19.441 ( 0.000 -3.873 17.863) 18.278 19.581 ( -0.000 2.379 -5.780) 6.251 20.377 ( 0.000 -19.032 2.861) 19.246 ======================= Grid point 298 (103/180) ======================= q-point: (-0.64 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -3.305 0.000 5.208) 6.168 1.813 ( -0.676 0.000 5.062) 5.107 1.836 ( -10.943 0.000 -0.446) 10.952 2.276 ( 2.849 -0.000 -2.410) 3.732 2.648 ( 0.638 -0.000 3.842) 3.894 3.044 ( -2.884 0.000 4.085) 5.001 3.273 ( -3.475 0.000 -5.517) 6.520 3.384 ( 4.358 -0.000 1.003) 4.472 3.627 ( -4.965 0.000 -4.186) 6.494 3.961 ( 0.861 -0.000 62.007) 62.013 4.664 ( -8.438 0.000 12.073) 14.729 6.543 ( -2.594 0.000 34.138) 34.236 6.550 ( -0.656 0.000 -20.122) 20.133 6.634 ( 0.495 -0.000 -34.178) 34.182 9.491 ( -5.698 0.000 -15.265) 16.293 9.968 ( -0.055 0.000 -33.276) 33.276 14.981 ( 1.093 -0.000 35.009) 35.026 15.568 ( 1.155 -0.000 15.405) 15.449 17.749 ( 0.041 -0.000 -0.336) 0.338 17.938 ( 0.182 -0.000 -8.241) 8.243 18.547 ( 0.778 -0.000 -13.531) 13.553 19.329 ( 0.242 -0.000 13.847) 13.849 19.565 ( 2.245 -0.000 26.280) 26.376 19.801 ( 4.778 -0.000 -23.624) 24.102 ======================= Grid point 300 (104/180) ======================= q-point: (-0.55 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -12.330 12.410 3.767) 17.895 1.755 ( -5.723 -7.109 3.812) 9.890 1.794 ( -3.793 -2.887 2.784) 5.521 2.313 ( 1.221 0.287 -4.151) 4.337 2.686 ( 3.092 1.282 3.864) 5.112 2.991 ( 1.035 10.007 4.457) 11.004 3.265 ( -0.856 -8.774 0.011) 8.815 3.446 ( 2.134 -0.430 -0.978) 2.387 3.531 ( -5.149 -0.246 -4.706) 6.980 3.978 ( 0.817 -0.379 60.170) 60.177 4.483 ( -9.839 0.637 13.806) 16.965 6.494 ( -2.367 0.115 33.223) 33.307 6.539 ( -0.626 -0.218 -14.694) 14.709 6.642 ( 0.457 0.428 -40.312) 40.317 9.387 ( -5.136 -0.128 -15.042) 15.895 9.968 ( 0.021 -0.192 -33.114) 33.115 14.996 ( 0.786 0.648 35.876) 35.890 15.589 ( 1.074 0.079 15.374) 15.412 17.750 ( 0.034 -0.162 -0.695) 0.714 17.947 ( 0.373 -0.977 -8.681) 8.744 18.559 ( 0.660 0.314 -14.004) 14.023 19.339 ( 0.371 -1.047 15.078) 15.119 19.610 ( 2.505 0.864 23.784) 23.931 19.899 ( 4.592 -2.721 -22.728) 23.346 ======================= Grid point 301 (105/180) ======================= q-point: (-0.45 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -9.755 10.836 4.951) 15.398 1.696 ( -6.362 -9.300 3.510) 11.802 1.748 ( -0.903 3.354 3.429) 4.881 2.319 ( 0.473 2.465 -4.574) 5.217 2.703 ( 1.465 7.537 5.400) 9.387 2.949 ( 2.525 7.937 3.346) 8.976 3.351 ( 1.141 -10.082 3.716) 10.805 3.447 ( -4.051 -1.415 -3.641) 5.627 3.472 ( 0.448 -0.098 -2.098) 2.147 3.997 ( 0.593 -0.895 56.339) 56.349 4.317 ( -6.671 0.506 15.939) 17.286 6.457 ( -1.391 0.101 32.836) 32.866 6.532 ( -0.364 -0.356 -12.316) 12.327 6.643 ( 0.230 1.016 -43.444) 43.456 9.309 ( -3.109 -0.059 -14.711) 15.036 9.971 ( 0.032 -0.369 -32.917) 32.919 14.999 ( 0.381 1.405 36.286) 36.315 15.605 ( 0.658 0.273 15.119) 15.136 17.753 ( 0.027 -0.396 -1.048) 1.120 17.967 ( 0.351 -2.242 -8.792) 9.080 18.565 ( 0.360 0.701 -14.226) 14.248 19.359 ( 0.302 -2.291 16.028) 16.193 19.635 ( 1.368 2.453 15.727) 15.976 20.016 ( 3.442 -7.803 -15.714) 17.879 ======================= Grid point 302 (106/180) ======================= q-point: (-0.36 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -0.000 11.031 6.198) 12.653 1.700 ( 0.000 -9.108 2.476) 9.439 1.705 ( -0.000 5.720 4.401) 7.218 2.288 ( -0.000 6.496 -2.766) 7.061 2.638 ( -0.000 10.268 6.983) 12.418 2.942 ( -0.000 3.160 2.218) 3.861 3.384 ( -0.000 1.321 -8.867) 8.965 3.470 ( 0.000 -12.057 12.964) 17.704 3.472 ( -0.000 0.607 -2.861) 2.925 4.011 ( 0.000 -0.963 51.887) 51.896 4.249 ( -0.000 0.148 16.904) 16.904 6.443 ( -0.000 0.099 32.699) 32.700 6.531 ( 0.000 -0.477 -11.512) 11.522 6.635 ( -0.000 1.526 -44.407) 44.433 9.279 ( -0.000 0.058 -14.484) 14.485 9.975 ( 0.000 -0.517 -32.742) 32.746 14.989 ( -0.000 2.030 36.112) 36.169 15.608 ( -0.000 0.599 14.734) 14.746 17.757 ( 0.000 -0.619 -1.305) 1.445 17.992 ( 0.000 -3.138 -8.518) 9.078 18.562 ( -0.000 0.986 -14.125) 14.159 19.384 ( 0.000 -3.269 16.770) 17.085 19.625 ( -0.000 3.087 7.004) 7.654 20.132 ( 0.000 -12.490 -7.735) 14.691 ======================= Grid point 311 (107/180) ======================= q-point: (-0.55 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -11.730 0.000 2.188) 11.932 1.600 ( -4.655 0.000 6.486) 7.983 1.775 ( -0.541 0.000 2.797) 2.849 2.335 ( 0.803 -0.000 -5.128) 5.191 2.758 ( 3.062 -0.000 3.102) 4.358 3.074 ( 1.806 -0.000 7.815) 8.021 3.211 ( 0.182 -0.000 1.783) 1.792 3.443 ( -3.867 0.000 -7.870) 8.769 3.471 ( 0.771 -0.000 -2.036) 2.177 3.989 ( 0.482 -0.000 59.831) 59.833 4.320 ( -6.960 0.000 15.955) 17.407 6.458 ( -1.415 0.000 32.971) 33.001 6.529 ( -0.354 0.000 -12.363) 12.368 6.651 ( 0.287 -0.000 -43.659) 43.660 9.309 ( -3.034 0.000 -14.708) 15.017 9.968 ( 0.032 -0.000 -33.024) 33.024 15.011 ( 0.428 -0.000 36.613) 36.616 15.607 ( 0.670 -0.000 15.400) 15.414 17.750 ( 0.004 -0.000 -0.911) 0.911 17.949 ( 0.210 -0.000 -9.148) 9.150 18.571 ( 0.396 -0.000 -14.418) 14.423 19.340 ( 0.215 -0.000 15.611) 15.613 19.657 ( 1.779 -0.000 26.316) 26.376 19.953 ( 2.533 -0.000 -26.386) 26.507 ======================= Grid point 313 (108/180) ======================= q-point: (-0.45 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -0.000 6.289 3.696) 7.294 1.576 ( 0.000 -5.647 5.544) 7.913 1.763 ( -0.000 1.883 3.142) 3.663 2.338 ( -0.000 1.098 -5.260) 5.373 2.771 ( -0.000 4.599 3.570) 5.822 3.040 ( -0.000 9.342 6.011) 11.109 3.278 ( 0.000 -11.873 7.154) 13.862 3.400 ( -0.000 0.592 -10.019) 10.036 3.478 ( -0.000 0.121 -2.628) 2.631 3.996 ( 0.000 -0.643 58.326) 58.329 4.251 ( -0.000 0.056 17.021) 17.021 6.444 ( -0.000 0.041 32.769) 32.769 6.526 ( 0.000 -0.183 -11.611) 11.613 6.651 ( -0.000 0.564 -44.634) 44.638 9.279 ( -0.000 0.022 -14.548) 14.548 9.969 ( 0.000 -0.192 -32.951) 32.951 15.012 ( -0.000 0.764 36.765) 36.773 15.613 ( -0.000 0.107 15.297) 15.298 17.750 ( 0.000 -0.214 -1.038) 1.060 17.956 ( 0.000 -1.308 -9.194) 9.286 18.573 ( -0.000 0.400 -14.501) 14.506 19.347 ( 0.000 -1.264 15.915) 15.965 19.667 ( -0.000 1.856 22.755) 22.831 19.996 ( 0.000 -4.774 -23.190) 23.677 ======================= Grid point 375 (109/180) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 0.000 15.294) 15.294 1.626 ( 0.000 0.000 30.458) 30.458 1.818 ( 0.000 0.000 -15.015) 15.015 2.016 ( 0.000 0.000 8.428) 8.428 2.522 ( 0.000 0.000 1.518) 1.518 2.909 ( 0.000 0.000 -1.457) 1.457 3.340 ( 0.000 0.000 -0.323) 0.323 3.349 ( 0.000 0.000 -0.182) 0.182 3.844 ( 0.000 0.000 1.877) 1.877 4.674 ( 0.000 0.000 25.418) 25.418 5.382 ( 0.000 0.000 44.795) 44.795 5.642 ( 0.000 0.000 -20.756) 20.756 6.246 ( 0.000 0.000 -18.808) 18.808 7.137 ( 0.000 0.000 34.355) 34.355 8.916 ( 0.000 0.000 -20.899) 20.899 9.215 ( 0.000 0.000 -45.411) 45.411 15.558 ( 0.000 0.000 31.896) 31.896 15.844 ( 0.000 0.000 16.412) 16.412 17.775 ( 0.000 0.000 0.473) 0.473 18.017 ( 0.000 0.000 -5.722) 5.722 18.255 ( 0.000 0.000 -11.119) 11.119 18.993 ( 0.000 0.000 -27.596) 27.596 20.013 ( 0.000 0.000 21.010) 21.010 20.980 ( 0.000 0.000 -10.186) 10.186 ======================= Grid point 376 (110/180) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 10.987 -1.814 12.794) 16.962 1.625 ( -0.202 -1.673 23.569) 23.629 1.890 ( 6.722 1.112 -8.993) 11.282 2.048 ( 2.584 -2.723 8.721) 9.495 2.527 ( 0.631 -0.272 1.025) 1.234 2.863 ( -4.319 -0.194 -0.677) 4.376 3.345 ( 0.860 0.358 -0.548) 1.081 3.402 ( 4.401 -0.298 -1.720) 4.735 3.831 ( -0.884 1.073 2.037) 2.466 4.703 ( 3.018 -0.137 25.370) 25.549 5.377 ( -0.478 0.134 46.852) 46.855 5.640 ( -0.272 -0.161 -22.975) 22.978 6.258 ( 1.287 0.164 -18.489) 18.535 7.154 ( 1.762 0.000 34.590) 34.635 8.949 ( 3.416 0.072 -21.169) 21.443 9.209 ( -0.426 0.368 -45.615) 45.618 15.562 ( -0.003 -1.039 31.872) 31.889 15.845 ( -0.082 -0.458 16.295) 16.302 17.774 ( 0.044 0.158 0.614) 0.635 18.005 ( -0.876 0.902 -5.505) 5.646 18.255 ( 0.014 -0.072 -11.116) 11.116 18.996 ( -0.209 -1.433 -27.494) 27.532 19.989 ( -1.854 1.624 20.412) 20.560 20.882 ( -8.053 4.537 -7.129) 11.673 ======================= Grid point 377 (111/180) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 13.365 -2.541 9.327) 16.494 1.657 ( 1.443 -3.756 15.799) 16.303 1.990 ( 4.780 3.037 -2.232) 6.088 2.171 ( 6.717 -6.152 9.160) 12.918 2.560 ( 3.266 0.528 -1.640) 3.693 2.778 ( -4.293 -0.060 0.206) 4.298 3.360 ( 0.590 -0.374 -1.030) 1.245 3.486 ( 4.094 0.844 -3.810) 5.656 3.799 ( -1.188 1.951 2.421) 3.329 4.786 ( 5.365 -0.629 24.877) 25.457 5.363 ( -0.782 0.184 51.672) 51.678 5.635 ( -0.340 -0.344 -28.164) 28.168 6.288 ( 1.984 0.343 -17.714) 17.828 7.200 ( 3.014 -0.014 35.213) 35.342 9.033 ( 5.429 0.408 -21.879) 22.546 9.195 ( -0.642 0.525 -46.009) 46.017 15.573 ( -0.036 -1.772 31.796) 31.845 15.848 ( -0.129 -0.799 16.045) 16.065 17.774 ( 0.070 0.275 0.942) 0.984 17.972 ( -1.525 1.629 -5.031) 5.503 18.256 ( 0.023 -0.121 -11.102) 11.103 19.006 ( -0.430 -2.492 -27.285) 27.402 19.924 ( -3.056 2.740 18.849) 19.291 20.640 ( -12.092 6.898 -0.278) 13.924 ======================= Grid point 378 (112/180) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 10.539 -2.725 8.258) 13.663 1.731 ( 2.617 -4.966 8.667) 10.327 2.019 ( 1.054 3.379 2.296) 4.219 2.364 ( 6.520 -9.251 10.500) 15.438 2.632 ( 5.273 3.601 -5.998) 8.761 2.731 ( 0.378 0.034 1.293) 1.347 3.364 ( -0.764 -0.648 -1.290) 1.633 3.524 ( 0.984 2.249 -4.582) 5.198 3.765 ( -0.413 2.154 2.769) 3.532 4.906 ( 6.303 -1.277 23.381) 24.249 5.347 ( -0.793 0.123 56.602) 56.608 5.633 ( -0.226 -0.458 -33.476) 33.480 6.323 ( 1.919 0.464 -16.814) 16.930 7.261 ( 3.364 -0.043 36.013) 36.170 9.124 ( 3.783 1.341 -28.002) 28.288 9.188 ( 1.083 -0.059 -41.028) 41.042 15.586 ( -0.084 -1.965 31.668) 31.729 15.852 ( -0.137 -0.904 15.845) 15.871 17.773 ( 0.075 0.310 1.262) 1.302 17.926 ( -1.806 1.951 -4.547) 5.267 18.258 ( 0.023 -0.132 -11.072) 11.073 19.017 ( -0.635 -2.811 -27.151) 27.303 19.841 ( -3.193 2.972 16.858) 17.413 20.361 ( -11.306 6.601 6.352) 14.552 ======================= Grid point 379 (113/180) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 7.322 -3.133 9.017) 12.030 1.820 ( 2.704 -4.066 3.221) 5.850 1.981 ( -2.193 3.582 5.108) 6.613 2.503 ( -0.320 -9.338 3.971) 10.153 2.711 ( 7.203 4.974 -2.005) 8.980 2.808 ( 7.098 -0.571 2.025) 7.403 3.335 ( -2.896 -0.132 -0.778) 3.002 3.489 ( -1.998 3.174 -4.307) 5.711 3.755 ( 0.670 1.297 2.437) 2.840 5.027 ( 5.148 -1.372 21.216) 21.875 5.333 ( -0.549 0.029 59.994) 59.996 5.634 ( -0.079 -0.401 -37.125) 37.127 6.350 ( 1.298 0.421 -16.052) 16.110 7.319 ( 2.640 -0.058 36.734) 36.829 9.135 ( -0.153 1.107 -43.480) 43.494 9.247 ( 3.627 0.056 -26.371) 26.619 15.598 ( -0.096 -1.529 31.514) 31.551 15.856 ( -0.112 -0.707 15.769) 15.786 17.772 ( 0.062 0.241 1.437) 1.458 17.880 ( -1.519 1.615 -4.136) 4.693 18.259 ( 0.017 -0.101 -11.033) 11.034 19.024 ( -0.667 -2.187 -27.122) 27.218 19.768 ( -2.285 2.220 14.986) 15.321 20.138 ( -7.480 4.511 10.754) 13.855 ======================= Grid point 380 (114/180) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 5.499 -3.675 10.400) 12.325 1.880 ( 1.281 -0.366 3.555) 3.796 1.890 ( -4.316 2.689 2.837) 5.823 2.531 ( -0.873 -3.344 -3.177) 4.694 2.775 ( 2.348 2.093 3.737) 4.884 2.978 ( 7.653 -1.853 1.013) 7.939 3.254 ( -4.636 1.244 3.161) 5.747 3.433 ( -1.266 1.359 -5.879) 6.165 3.762 ( 0.450 0.374 1.992) 2.076 5.105 ( 1.991 -0.593 19.608) 19.718 5.326 ( -0.189 -0.005 61.595) 61.595 5.635 ( -0.007 -0.161 -38.812) 38.812 6.364 ( 0.445 0.174 -15.616) 15.624 7.355 ( 1.002 -0.028 37.159) 37.172 9.125 ( -0.172 0.387 -45.557) 45.559 9.296 ( 1.413 0.087 -24.705) 24.746 15.605 ( -0.043 -0.577 31.402) 31.407 15.859 ( -0.045 -0.266 15.766) 15.768 17.772 ( 0.029 0.087 1.487) 1.490 17.850 ( -0.603 0.630 -3.884) 3.980 18.260 ( 0.006 -0.038 -11.006) 11.006 19.026 ( -0.304 -0.816 -27.097) 27.111 19.727 ( -0.798 0.799 13.752) 13.798 20.019 ( -2.561 1.587 12.846) 13.195 ======================= Grid point 387 (115/180) ======================= q-point: ( 0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 13.890 -0.000 8.372) 16.218 1.625 ( 1.097 -0.000 18.404) 18.437 2.030 ( 6.182 -0.000 -1.014) 6.265 2.105 ( 4.944 -0.000 9.169) 10.417 2.567 ( 4.144 -0.000 -2.310) 4.744 2.778 ( -4.190 0.000 -0.267) 4.199 3.357 ( 0.440 -0.000 -1.002) 1.094 3.492 ( 4.436 -0.000 -4.119) 6.053 3.814 ( -1.312 0.000 2.375) 2.713 4.781 ( 5.214 -0.000 25.146) 25.681 5.364 ( -0.824 0.000 50.093) 50.100 5.633 ( -0.339 0.000 -26.447) 26.449 6.291 ( 1.990 -0.000 -17.703) 17.814 7.199 ( 3.007 -0.000 35.241) 35.369 9.037 ( 5.600 -0.000 -21.736) 22.446 9.199 ( -0.784 0.000 -46.033) 46.039 15.559 ( 0.096 -0.000 31.645) 31.645 15.841 ( -0.094 0.000 16.274) 16.274 17.776 ( 0.052 -0.000 0.967) 0.968 17.985 ( -1.600 0.000 -4.965) 5.216 18.255 ( 0.033 -0.000 -11.023) 11.023 18.986 ( -0.264 0.000 -27.361) 27.362 19.946 ( -3.271 0.000 19.172) 19.449 20.695 ( -12.963 0.000 -1.381) 13.037 ======================= Grid point 388 (116/180) ======================= q-point: ( 0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 11.707 -0.360 4.823) 12.667 1.667 ( 2.245 -2.614 12.079) 12.561 2.083 ( 1.797 4.117 6.179) 7.640 2.237 ( 5.268 -6.224 9.901) 12.827 2.675 ( 7.019 1.611 -5.671) 9.167 2.729 ( -0.045 -0.175 0.236) 0.297 3.357 ( -0.672 -0.247 -1.548) 1.706 3.547 ( 1.365 0.736 -5.670) 5.878 3.788 ( -0.905 0.767 2.620) 2.876 4.892 ( 6.235 -0.445 24.149) 24.945 5.348 ( -0.869 0.040 54.862) 54.869 5.628 ( -0.178 -0.157 -31.547) 31.548 6.328 ( 1.883 0.173 -16.775) 16.882 7.261 ( 3.355 -0.015 36.054) 36.210 9.143 ( 5.228 0.849 -23.792) 24.375 9.184 ( -0.438 -0.360 -45.083) 45.087 15.565 ( 0.276 -0.721 31.426) 31.436 15.842 ( -0.023 -0.372 16.096) 16.100 17.776 ( 0.021 0.114 1.354) 1.359 17.947 ( -2.078 0.711 -4.467) 4.978 18.256 ( 0.049 -0.048 -10.957) 10.957 18.987 ( -0.136 -1.027 -27.127) 27.147 19.874 ( -3.779 1.103 17.304) 17.746 20.433 ( -13.033 2.503 5.244) 14.270 ======================= Grid point 389 (117/180) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 8.518 0.412 5.220) 9.998 1.748 ( 3.260 -4.658 3.804) 6.841 2.053 ( -0.860 5.365 9.635) 11.062 2.356 ( 0.794 -8.834 7.820) 11.825 2.771 ( 6.454 2.624 -1.770) 7.188 2.805 ( 6.115 0.085 -0.422) 6.130 3.333 ( -2.169 -0.143 -2.197) 3.090 3.526 ( -2.507 1.624 -5.727) 6.459 3.773 ( -0.056 0.870 2.556) 2.700 5.011 ( 5.572 -0.732 22.169) 22.871 5.334 ( -0.599 0.013 58.871) 58.874 5.629 ( 0.059 -0.227 -35.889) 35.889 6.355 ( 1.164 0.251 -16.002) 16.046 7.319 ( 2.649 -0.032 36.754) 36.850 9.154 ( -0.609 1.133 -45.349) 45.367 9.244 ( 3.725 -0.405 -24.351) 24.638 15.579 ( 0.528 -0.900 31.281) 31.298 15.846 ( 0.102 -0.526 15.923) 15.932 17.775 ( -0.039 0.143 1.570) 1.577 17.900 ( -2.114 0.957 -4.105) 4.715 18.258 ( 0.059 -0.059 -10.932) 10.932 18.997 ( 0.227 -1.291 -26.970) 27.002 19.796 ( -3.261 1.328 15.397) 15.794 20.196 ( -9.602 2.762 10.040) 14.165 ======================= Grid point 390 (118/180) ======================= q-point: ( 0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 6.027 -0.456 7.173) 9.380 1.843 ( 3.080 -2.857 -2.380) 4.828 1.973 ( -2.602 6.466 11.317) 13.291 2.422 ( -0.465 -9.273 2.724) 9.676 2.822 ( 1.098 2.974 1.087) 3.351 2.961 ( 8.766 -0.591 1.763) 8.961 3.275 ( -3.662 1.329 -0.697) 3.958 3.448 ( -3.910 0.613 -5.712) 6.949 3.769 ( -0.062 0.461 2.297) 2.344 5.098 ( 2.929 -0.300 20.081) 20.295 5.326 ( -0.187 -0.003 61.182) 61.183 5.633 ( 0.221 -0.126 -38.443) 38.444 6.366 ( 0.201 0.141 -15.577) 15.579 7.355 ( 1.042 -0.020 37.130) 37.144 9.135 ( -0.513 0.802 -46.289) 46.299 9.293 ( 1.105 -0.371 -23.876) 23.905 15.597 ( 0.799 -0.450 31.291) 31.305 15.853 ( 0.244 -0.391 15.830) 15.837 17.773 ( -0.104 0.068 1.556) 1.561 17.859 ( -1.494 0.519 -3.894) 4.202 18.259 ( 0.062 -0.030 -10.964) 10.965 19.014 ( 0.872 -0.663 -26.982) 27.005 19.738 ( -2.004 0.622 13.965) 14.121 20.043 ( -4.850 1.369 12.539) 13.514 ======================= Grid point 391 (119/180) ======================= q-point: (-0.55 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 0.707 -1.668 0.354) 1.846 1.848 ( -1.161 5.810 17.297) 18.283 1.912 ( 1.934 1.648 -1.743) 3.081 2.491 ( 0.794 -7.632 -2.441) 8.052 2.781 ( -2.942 2.150 4.084) 5.474 3.021 ( -4.712 3.581 -1.028) 6.007 3.240 ( 3.745 -0.404 4.760) 6.070 3.405 ( -1.216 -2.274 -6.002) 6.532 3.758 ( -0.994 -0.121 2.332) 2.538 5.115 ( -0.988 0.740 19.178) 19.218 5.326 ( 0.191 0.007 61.867) 61.868 5.638 ( 0.266 0.144 -39.264) 39.265 6.361 ( -0.717 -0.150 -15.608) 15.625 7.355 ( -0.958 0.029 37.083) 37.095 9.124 ( -0.170 0.268 -45.886) 45.887 9.290 ( -1.782 -0.614 -24.395) 24.468 15.614 ( 0.974 0.517 31.498) 31.517 15.861 ( 0.364 -0.005 15.778) 15.782 17.770 ( -0.169 -0.078 1.410) 1.422 17.841 ( -0.394 -0.526 -3.913) 3.968 18.260 ( 0.055 0.034 -11.055) 11.055 19.038 ( 1.614 0.691 -27.171) 27.228 19.715 ( -0.493 -0.722 13.525) 13.554 19.997 ( 0.036 -1.245 13.094) 13.153 ======================= Grid point 392 (120/180) ======================= q-point: (-0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -6.287 6.605 9.630) 13.262 1.858 ( -1.428 0.669 8.059) 8.211 1.956 ( 3.059 0.592 -1.801) 3.598 2.559 ( 0.345 -5.877 -5.282) 7.909 2.682 ( -5.393 4.188 4.599) 8.233 2.836 ( -8.538 3.759 2.623) 9.691 3.335 ( 3.988 -0.129 1.301) 4.197 3.430 ( 0.805 -4.435 -3.572) 5.751 3.736 ( -1.659 -1.147 2.778) 3.433 5.051 ( -4.617 1.671 20.035) 20.628 5.333 ( 0.478 -0.032 61.118) 61.120 5.641 ( 0.288 0.459 -38.562) 38.566 6.343 ( -1.482 -0.457 -16.080) 16.154 7.320 ( -2.627 0.067 36.632) 36.727 9.123 ( -0.168 -0.424 -43.280) 43.283 9.241 ( -3.787 -0.755 -26.721) 26.998 15.624 ( 0.947 1.684 31.825) 31.883 15.866 ( 0.407 0.512 15.694) 15.708 17.768 ( -0.197 -0.257 1.239) 1.280 17.853 ( 0.674 -1.769 -4.180) 4.588 18.261 ( 0.041 0.112 -11.176) 11.177 19.061 ( 1.930 2.408 -27.390) 27.563 19.732 ( 1.001 -2.375 14.393) 14.622 20.065 ( 4.681 -4.740 11.670) 13.437 ======================= Grid point 393 (121/180) ======================= q-point: (-0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -9.576 6.075 10.111) 15.194 1.800 ( -2.458 3.569 7.552) 8.707 1.987 ( -0.245 -0.788 -2.304) 2.448 2.472 ( -11.615 0.658 3.552) 12.164 2.605 ( 0.876 4.093 -0.813) 4.264 2.730 ( -0.573 0.002 2.623) 2.685 3.376 ( 0.956 0.823 -0.839) 1.515 3.476 ( -0.233 -3.979 -2.916) 4.939 3.725 ( -0.773 -2.858 3.372) 4.487 4.930 ( -6.429 1.816 22.083) 23.072 5.344 ( 0.656 -0.173 58.899) 58.903 5.642 ( 0.343 0.668 -36.211) 36.219 6.314 ( -1.979 -0.610 -16.858) 16.985 7.262 ( -3.380 0.060 35.909) 36.068 9.106 ( -3.184 -0.941 -29.800) 29.984 9.184 ( -1.823 -0.678 -39.488) 39.536 15.623 ( 0.721 2.643 32.113) 32.229 15.867 ( 0.348 0.980 15.587) 15.621 17.767 ( -0.171 -0.412 1.066) 1.156 17.890 ( 1.277 -2.672 -4.629) 5.496 18.260 ( 0.022 0.178 -11.282) 11.284 19.070 ( 1.571 3.861 -27.375) 27.691 19.787 ( 2.172 -3.904 16.086) 16.695 20.241 ( 8.449 -8.465 8.091) 14.440 ======================= Grid point 394 (122/180) ======================= q-point: (-0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -12.437 5.473 10.417) 17.122 1.725 ( -1.934 4.511 11.143) 12.176 1.954 ( -4.291 -1.727 -5.347) 7.070 2.258 ( -8.342 4.061 6.548) 11.356 2.570 ( -0.846 2.803 2.157) 3.637 2.780 ( 4.619 0.247 1.100) 4.755 3.368 ( -1.025 0.595 -1.089) 1.609 3.466 ( -3.033 -1.705 -3.077) 4.645 3.754 ( 0.708 -3.867 2.972) 4.928 4.800 ( -5.795 1.158 24.102) 24.816 5.359 ( 0.660 -0.340 55.172) 55.177 5.643 ( 0.370 0.688 -32.135) 32.145 6.281 ( -1.966 -0.578 -17.737) 17.855 7.200 ( -3.035 0.026 35.129) 35.260 9.025 ( -5.054 -0.568 -22.177) 22.753 9.183 ( 0.334 -0.977 -46.041) 46.053 15.611 ( 0.405 3.071 32.243) 32.392 15.864 ( 0.234 1.216 15.577) 15.626 17.768 ( -0.122 -0.475 0.842) 0.974 17.937 ( 1.289 -2.909 -5.143) 6.048 18.259 ( 0.005 0.210 -11.329) 11.331 19.060 ( 0.923 4.423 -27.244) 27.616 19.866 ( 2.458 -4.675 17.984) 18.744 20.495 ( 9.816 -11.338 2.426) 15.192 ======================= Grid point 395 (123/180) ======================= q-point: (-0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -10.279 5.119 12.330) 16.849 1.669 ( -0.390 3.779 17.573) 17.979 1.865 ( -5.900 -1.973 -9.285) 11.177 2.115 ( -3.164 5.169 8.113) 10.127 2.543 ( -0.041 2.254 3.324) 4.016 2.869 ( 4.572 0.528 0.143) 4.605 3.336 ( -2.199 -0.659 -0.645) 2.385 3.409 ( -2.894 0.469 -1.943) 3.517 3.798 ( 0.763 -3.320 2.223) 4.068 4.707 ( -3.264 0.393 25.142) 25.356 5.372 ( 0.427 -0.397 50.612) 50.615 5.645 ( 0.265 0.538 -27.113) 27.120 6.254 ( -1.262 -0.441 -18.475) 18.523 7.154 ( -1.771 -0.001 34.535) 34.581 8.947 ( -3.266 -0.179 -21.215) 21.466 9.198 ( 0.348 -0.998 -45.893) 45.905 15.592 ( 0.138 2.855 32.210) 32.337 15.858 ( 0.113 1.161 15.768) 15.811 17.770 ( -0.061 -0.435 0.599) 0.743 17.978 ( 0.804 -2.539 -5.595) 6.196 18.257 ( -0.004 0.198 -11.301) 11.303 19.039 ( 0.370 4.002 -27.277) 27.572 19.941 ( 1.637 -4.415 19.650) 20.206 20.751 ( 6.998 -11.904 -4.097) 14.403 ======================= Grid point 396 (124/180) ======================= q-point: (-0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.000 4.087 14.550) 15.113 1.647 ( -0.000 2.523 26.050) 26.172 1.809 ( 0.000 -1.110 -14.248) 14.291 2.051 ( -0.000 4.218 8.601) 9.580 2.530 ( -0.000 1.239 2.589) 2.871 2.914 ( -0.000 0.573 -0.937) 1.099 3.317 ( 0.000 -1.639 0.018) 1.639 3.372 ( -0.000 1.586 -0.912) 1.829 3.827 ( 0.000 -2.249 1.916) 2.954 4.675 ( -0.000 0.110 25.366) 25.366 5.379 ( 0.000 -0.301 47.125) 47.126 5.644 ( -0.000 0.334 -23.281) 23.284 6.244 ( 0.000 -0.297 -18.790) 18.792 7.137 ( 0.000 -0.007 34.328) 34.328 8.916 ( 0.000 -0.038 -20.924) 20.924 9.209 ( 0.000 -0.755 -45.577) 45.583 15.574 ( -0.000 2.095 32.070) 32.138 15.851 ( -0.000 0.878 16.082) 16.106 17.772 ( 0.000 -0.317 0.481) 0.576 18.003 ( 0.000 -1.804 -5.771) 6.047 18.256 ( -0.000 0.146 -11.218) 11.219 19.015 ( -0.000 2.886 -27.432) 27.583 19.988 ( 0.000 -3.266 20.583) 20.841 20.905 ( 0.000 -9.307 -8.291) 12.465 ======================= Grid point 399 (125/180) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 9.916 -0.000 0.585) 9.933 1.702 ( 2.648 -0.000 7.459) 7.916 2.113 ( -0.086 0.000 12.389) 12.389 2.268 ( 0.533 -0.000 7.581) 7.600 2.791 ( 6.919 -0.000 1.621) 7.106 2.806 ( 5.218 -0.000 -4.193) 6.694 3.331 ( -1.913 0.000 -2.688) 3.299 3.539 ( -2.630 0.000 -6.431) 6.948 3.780 ( -0.308 0.000 2.667) 2.685 5.005 ( 5.733 -0.000 22.531) 23.249 5.334 ( -0.616 0.000 58.393) 58.397 5.627 ( 0.105 -0.000 -35.393) 35.394 6.357 ( 1.114 -0.000 -15.977) 16.016 7.318 ( 2.652 -0.000 36.749) 36.845 9.164 ( -0.962 0.000 -47.271) 47.281 9.240 ( 3.947 -0.000 -22.365) 22.711 15.572 ( 0.755 -0.000 31.194) 31.203 15.842 ( 0.179 -0.000 16.001) 16.002 17.776 ( -0.075 0.000 1.616) 1.618 17.908 ( -2.326 0.000 -4.092) 4.707 18.257 ( 0.074 -0.000 -10.896) 10.896 18.986 ( 0.549 -0.000 -26.925) 26.930 19.807 ( -3.622 0.000 15.544) 15.961 20.218 ( -10.395 0.000 9.764) 14.262 ======================= Grid point 400 (126/180) ======================= q-point: ( 0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 4.382 1.512 3.714) 5.940 1.798 ( 6.688 -2.540 -1.869) 7.394 2.079 ( -1.014 6.417 13.813) 15.265 2.280 ( -1.592 -7.781 5.998) 9.953 2.854 ( 0.311 1.103 0.437) 1.226 2.955 ( 9.240 -0.204 2.140) 9.487 3.290 ( -2.240 0.567 -3.689) 4.353 3.454 ( -5.853 0.177 -5.807) 8.246 3.774 ( -0.377 0.209 2.744) 2.778 5.095 ( 3.490 -0.077 20.393) 20.690 5.326 ( -0.184 -0.002 60.867) 60.868 5.632 ( 0.350 -0.047 -38.244) 38.245 6.368 ( 0.058 0.054 -15.533) 15.533 7.354 ( 1.065 -0.007 37.068) 37.084 9.146 ( -0.738 0.447 -47.518) 47.526 9.287 ( 0.947 -0.271 -22.555) 22.577 15.592 ( 1.294 -0.170 31.216) 31.243 15.848 ( 0.413 -0.187 15.902) 15.909 17.774 ( -0.183 0.026 1.597) 1.607 17.865 ( -2.010 0.201 -3.916) 4.406 18.259 ( 0.094 -0.011 -10.941) 10.941 19.007 ( 1.557 -0.255 -26.896) 26.942 19.745 ( -2.728 0.235 14.092) 14.356 20.059 ( -6.196 0.544 12.324) 13.805 ======================= Grid point 401 (127/180) ======================= q-point: ( 0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 2.217 -1.009 2.137) 3.240 1.920 ( 5.344 1.148 -2.508) 6.014 1.982 ( -2.761 8.944 13.861) 16.726 2.339 ( -0.144 -11.059 2.866) 11.425 2.811 ( -3.368 1.333 3.397) 4.966 3.074 ( 0.712 2.692 -1.998) 3.427 3.245 ( 0.615 1.147 1.657) 2.107 3.365 ( -3.310 -2.684 -4.918) 6.508 3.757 ( -1.413 0.017 3.037) 3.350 5.126 ( -0.240 0.526 18.918) 18.927 5.326 ( 0.193 0.006 61.948) 61.949 5.640 ( 0.472 0.083 -39.648) 39.651 6.360 ( -0.929 -0.084 -15.563) 15.591 7.356 ( -0.924 0.018 36.948) 36.960 9.131 ( -0.395 0.511 -47.134) 47.139 9.279 ( -2.105 -0.675 -23.098) 23.204 15.620 ( 1.695 0.301 31.554) 31.601 15.859 ( 0.608 -0.117 15.843) 15.855 17.769 ( -0.272 -0.045 1.351) 1.379 17.835 ( -1.173 -0.287 -3.966) 4.146 18.261 ( 0.103 0.020 -11.094) 11.094 19.047 ( 2.631 0.382 -27.185) 27.315 19.706 ( -1.462 -0.424 13.360) 13.446 19.982 ( -1.913 -0.641 13.217) 13.370 ======================= Grid point 402 (128/180) ======================= q-point: (-0.55 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -3.758 5.287 2.758) 7.048 1.868 ( -1.555 3.081 13.266) 13.707 1.982 ( 2.872 2.300 -2.426) 4.407 2.416 ( -1.937 -10.954 -1.529) 11.228 2.734 ( -2.593 1.791 3.283) 4.551 2.931 ( -7.502 7.695 -0.635) 10.765 3.323 ( 4.208 -2.406 2.556) 5.480 3.363 ( -0.069 -3.100 -2.923) 4.262 3.721 ( -2.559 -0.706 3.622) 4.491 5.076 ( -4.168 1.388 19.047) 19.548 5.332 ( 0.415 -0.019 61.810) 61.811 5.647 ( 0.503 0.363 -39.729) 39.734 6.336 ( -1.657 -0.349 -16.062) 16.151 7.321 ( -2.614 0.054 36.460) 36.553 9.122 ( -0.314 0.306 -44.674) 44.676 9.226 ( -4.096 -1.147 -25.412) 25.765 15.648 ( 1.766 1.301 32.116) 32.191 15.871 ( 0.695 0.207 15.747) 15.764 17.765 ( -0.318 -0.184 1.036) 1.100 17.828 ( -0.183 -1.365 -4.237) 4.455 18.262 ( 0.097 0.087 -11.319) 11.320 19.095 ( 3.215 1.864 -27.707) 27.955 19.699 ( -0.157 -1.764 13.739) 13.853 19.999 ( 2.029 -3.529 12.564) 13.207 ======================= Grid point 403 (129/180) ======================= q-point: (-0.45 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -9.108 8.538 9.311) 15.574 1.837 ( -1.585 1.320 7.151) 7.442 1.991 ( -0.842 0.939 -4.193) 4.379 2.394 ( -8.236 -7.735 -2.247) 11.520 2.720 ( 2.988 2.470 1.856) 4.298 2.756 ( -3.563 8.502 3.915) 10.016 3.386 ( 0.357 -0.693 -1.307) 1.522 3.404 ( 1.438 -4.306 -0.101) 4.541 3.683 ( -2.463 -2.493 4.435) 5.652 4.959 ( -6.598 1.774 20.742) 21.838 5.342 ( 0.509 -0.148 60.597) 60.599 5.653 ( 0.507 0.665 -38.574) 38.583 6.305 ( -2.043 -0.565 -16.872) 17.005 7.263 ( -3.398 0.059 35.745) 35.906 9.097 ( -3.162 -0.147 -30.226) 30.391 9.168 ( -2.020 -1.282 -39.329) 39.402 15.664 ( 1.464 2.504 32.656) 32.785 15.881 ( 0.617 0.698 15.538) 15.566 17.761 ( -0.284 -0.372 0.788) 0.917 17.848 ( 0.572 -2.609 -4.671) 5.381 18.263 ( 0.076 0.171 -11.538) 11.539 19.131 ( 2.807 3.828 -27.967) 28.367 19.727 ( 1.012 -3.546 15.141) 15.584 20.112 ( 5.323 -7.751 10.018) 13.739 ======================= Grid point 404 (130/180) ======================= q-point: (-0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -11.927 7.822 9.885) 17.353 1.786 ( -1.818 3.165 7.599) 8.430 1.931 ( -5.552 -1.442 -6.298) 8.518 2.276 ( -6.663 -1.346 0.190) 6.800 2.663 ( 0.122 8.490 7.063) 11.045 2.789 ( 5.221 1.176 1.459) 5.547 3.375 ( -1.841 -0.059 -1.281) 2.244 3.434 ( -0.945 -2.183 -2.025) 3.124 3.683 ( -0.500 -5.034 4.535) 6.794 4.820 ( -6.399 1.349 23.057) 23.966 5.353 ( 0.496 -0.369 58.346) 58.349 5.656 ( 0.454 0.863 -36.135) 36.148 6.271 ( -1.941 -0.630 -17.748) 17.865 7.200 ( -3.063 0.031 34.999) 35.133 9.017 ( -4.749 -0.429 -22.338) 22.841 9.166 ( 0.093 -1.218 -46.330) 46.346 15.663 ( 0.928 3.484 32.935) 33.131 15.883 ( 0.411 1.162 15.285) 15.334 17.760 ( -0.197 -0.532 0.621) 0.841 17.886 ( 0.874 -3.489 -5.179) 6.305 18.263 ( 0.045 0.242 -11.663) 11.665 19.137 ( 1.726 5.352 -27.663) 28.229 19.787 ( 1.624 -5.156 16.837) 17.683 20.308 ( 6.918 -12.189 5.633) 15.105 ======================= Grid point 405 (131/180) ======================= q-point: (-0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -9.551 7.436 10.979) 16.342 1.731 ( -0.849 3.838 10.212) 10.943 1.829 ( -6.067 -2.638 -7.679) 10.136 2.185 ( -2.415 3.311 2.976) 5.065 2.612 ( 0.556 6.952 8.046) 10.647 2.880 ( 4.867 0.980 1.040) 5.072 3.326 ( -3.209 -0.640 -0.907) 3.395 3.414 ( -1.425 0.250 -2.261) 2.684 3.729 ( 0.462 -5.595 3.297) 6.511 4.715 ( -3.729 0.553 24.721) 25.007 5.365 ( 0.333 -0.547 55.269) 55.273 5.656 ( 0.283 0.882 -32.619) 32.632 6.246 ( -1.221 -0.579 -18.445) 18.495 7.154 ( -1.788 -0.000 34.440) 34.486 8.944 ( -3.052 -0.203 -21.286) 21.505 9.180 ( 0.240 -1.337 -46.386) 46.406 15.646 ( 0.380 3.904 32.885) 33.118 15.878 ( 0.183 1.406 15.195) 15.261 17.762 ( -0.093 -0.595 0.496) 0.781 17.929 ( 0.646 -3.691 -5.628) 6.762 18.261 ( 0.015 0.273 -11.647) 11.650 19.116 ( 0.696 5.780 -27.283) 27.897 19.859 ( 1.251 -5.911 18.375) 19.343 20.536 ( 5.301 -15.204 0.343) 16.105 ======================= Grid point 406 (132/180) ======================= q-point: (-0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -0.000 6.983 12.669) 14.467 1.697 ( -0.000 3.764 17.301) 17.706 1.783 ( 0.000 -2.376 -12.062) 12.294 2.129 ( -0.000 5.154 5.794) 7.755 2.572 ( -0.000 4.743 6.417) 7.980 2.926 ( -0.000 0.929 0.205) 0.952 3.295 ( 0.000 -1.191 -0.212) 1.210 3.393 ( -0.000 1.164 -1.757) 2.107 3.774 ( 0.000 -4.645 2.427) 5.241 4.677 ( -0.000 0.183 25.227) 25.228 5.373 ( 0.000 -0.555 52.193) 52.196 5.652 ( -0.000 0.740 -29.017) 29.026 6.238 ( 0.000 -0.503 -18.742) 18.749 7.137 ( 0.000 -0.011 34.255) 34.255 8.915 ( 0.000 -0.064 -20.990) 20.990 9.193 ( 0.000 -1.279 -46.031) 46.049 15.620 ( -0.000 3.655 32.602) 32.806 15.869 ( -0.000 1.385 15.397) 15.460 17.765 ( 0.000 -0.554 0.457) 0.719 17.963 ( 0.000 -3.293 -5.826) 6.692 18.259 ( -0.000 0.255 -11.506) 11.508 19.079 ( -0.000 5.211 -27.196) 27.691 19.917 ( 0.000 -5.607 19.442) 20.235 20.710 ( 0.000 -15.213 -3.750) 15.669 ======================= Grid point 411 (133/180) ======================= q-point: ( 0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 2.063 -0.000 1.398) 2.492 1.927 ( 5.796 -0.000 -2.961) 6.508 2.106 ( -0.456 0.000 14.875) 14.882 2.200 ( -1.842 0.000 4.114) 4.507 2.821 ( -3.627 0.000 3.391) 4.965 3.095 ( 3.967 -0.000 -0.991) 4.089 3.262 ( -1.221 0.000 -3.229) 3.452 3.337 ( -4.569 0.000 -2.500) 5.209 3.758 ( -1.572 0.000 3.390) 3.737 5.130 ( 0.034 -0.000 18.838) 18.838 5.326 ( 0.194 -0.000 61.950) 61.950 5.640 ( 0.550 -0.000 -39.802) 39.805 6.359 ( -1.009 0.000 -15.538) 15.571 7.356 ( -0.911 0.000 36.881) 36.892 9.136 ( -0.458 0.000 -48.038) 48.040 9.273 ( -2.246 0.000 -22.162) 22.276 15.623 ( 1.966 -0.000 31.571) 31.632 15.858 ( 0.699 -0.000 15.879) 15.894 17.769 ( -0.309 0.000 1.329) 1.365 17.832 ( -1.467 0.000 -3.992) 4.253 18.261 ( 0.121 -0.000 -11.109) 11.110 19.050 ( 3.013 -0.000 -27.180) 27.346 19.702 ( -1.820 0.000 13.300) 13.424 19.977 ( -2.644 0.000 13.247) 13.508 ======================= Grid point 412 (134/180) ======================= q-point: (-0.64 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 0.769 0.021 1.541) 1.722 1.957 ( -3.335 3.621 2.694) 5.612 2.041 ( 0.142 6.551 7.511) 9.968 2.243 ( -0.675 -10.313 1.291) 10.415 2.749 ( -3.015 0.374 3.591) 4.704 3.038 ( -5.587 4.956 -4.674) 8.811 3.261 ( -0.083 -3.666 -0.025) 3.667 3.345 ( 3.269 -0.251 1.470) 3.594 3.714 ( -3.085 -0.231 4.344) 5.333 5.091 ( -3.923 0.540 18.516) 18.935 5.332 ( 0.382 -0.005 62.068) 62.069 5.651 ( 0.641 0.137 -40.365) 40.370 6.333 ( -1.765 -0.130 -16.031) 16.129 7.322 ( -2.606 0.021 36.319) 36.413 9.129 ( -0.186 0.361 -47.403) 47.405 9.210 ( -4.500 -0.661 -22.706) 23.157 15.662 ( 2.270 0.488 32.292) 32.376 15.873 ( 0.873 0.035 15.832) 15.857 17.763 ( -0.378 -0.061 0.918) 0.995 17.813 ( -0.743 -0.516 -4.295) 4.389 18.263 ( 0.133 0.033 -11.410) 11.411 19.115 ( 4.051 0.701 -27.924) 28.225 19.680 ( -0.810 -0.641 13.259) 13.299 19.961 ( 0.376 -1.303 13.166) 13.236 ======================= Grid point 413 (135/180) ======================= q-point: (-0.55 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -8.537 8.575 5.687) 13.370 1.849 ( -1.416 0.466 5.559) 5.755 2.000 ( -3.653 -0.250 -0.370) 3.680 2.272 ( -3.635 -7.121 -2.372) 8.340 2.728 ( 1.154 0.172 3.482) 3.672 2.909 ( -1.448 9.027 -1.114) 9.210 3.302 ( 0.178 -6.213 0.766) 6.262 3.401 ( 2.184 0.458 0.639) 2.321 3.652 ( -3.911 -1.403 5.491) 6.886 4.982 ( -6.759 1.090 19.807) 20.957 5.340 ( 0.406 -0.075 61.400) 61.402 5.661 ( 0.650 0.414 -40.029) 40.036 6.298 ( -2.092 -0.338 -16.857) 16.990 7.264 ( -3.413 0.037 35.581) 35.744 9.101 ( -3.747 0.633 -28.707) 28.957 9.146 ( -1.584 -1.457 -41.037) 41.093 15.696 ( 2.072 1.525 33.121) 33.221 15.888 ( 0.858 0.323 15.662) 15.689 17.756 ( -0.369 -0.192 0.538) 0.680 17.814 ( -0.087 -1.655 -4.704) 4.987 18.265 ( 0.121 0.106 -11.755) 11.756 19.181 ( 4.017 2.468 -28.785) 29.169 19.683 ( 0.117 -2.029 14.178) 14.323 20.013 ( 2.790 -4.719 11.841) 13.048 ======================= Grid point 414 (136/180) ======================= q-point: (-0.45 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -12.153 8.642 7.648) 16.759 1.821 ( -1.443 1.304 4.454) 4.860 1.899 ( -7.782 -2.878 -2.792) 8.755 2.243 ( -2.667 -2.251 -3.281) 4.790 2.764 ( 2.280 2.475 5.702) 6.621 2.857 ( 3.650 8.811 1.657) 9.681 3.343 ( -1.121 -4.296 -0.890) 4.529 3.418 ( 0.314 0.248 -0.785) 0.881 3.608 ( -2.670 -4.399 6.575) 8.350 4.839 ( -6.987 1.062 22.146) 23.246 5.348 ( 0.351 -0.254 60.128) 60.130 5.668 ( 0.560 0.716 -38.876) 38.886 6.263 ( -1.916 -0.482 -17.737) 17.847 7.201 ( -3.090 0.025 34.857) 34.994 9.013 ( -4.685 -0.163 -22.112) 22.604 9.147 ( 0.064 -1.072 -46.979) 46.991 15.713 ( 1.455 2.772 33.698) 33.843 15.898 ( 0.632 0.791 15.340) 15.374 17.753 ( -0.275 -0.390 0.314) 0.571 17.835 ( 0.339 -2.976 -5.143) 5.952 18.266 ( 0.086 0.196 -12.015) 12.016 19.218 ( 2.779 4.771 -28.887) 29.410 19.715 ( 0.789 -3.914 15.662) 16.163 20.136 ( 4.197 -9.579 8.820) 13.681 ======================= Grid point 415 (137/180) ======================= q-point: (-0.36 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -9.324 8.261 8.744) 15.220 1.764 ( -4.738 -2.082 -4.632) 6.945 1.799 ( -2.670 1.158 5.511) 6.232 2.215 ( -0.956 0.872 -2.554) 2.863 2.744 ( 1.026 8.960 9.818) 13.331 2.905 ( 4.841 2.821 1.459) 5.790 3.315 ( -3.178 -0.881 -1.352) 3.564 3.416 ( -0.438 0.055 -2.432) 2.472 3.628 ( -0.339 -7.213 5.829) 9.280 4.724 ( -4.278 0.528 24.254) 24.634 5.357 ( 0.230 -0.477 58.430) 58.432 5.671 ( 0.331 0.931 -36.958) 36.972 6.237 ( -1.178 -0.534 -18.405) 18.451 7.154 ( -1.807 0.000 34.330) 34.378 8.941 ( -2.879 -0.149 -21.335) 21.529 9.159 ( 0.161 -1.265 -46.971) 46.988 15.707 ( 0.672 3.776 33.799) 34.016 15.899 ( 0.296 1.224 15.022) 15.075 17.752 ( -0.135 -0.561 0.250) 0.629 17.869 ( 0.387 -3.907 -5.541) 6.791 18.265 ( 0.039 0.270 -12.081) 12.084 19.211 ( 1.196 6.313 -28.158) 28.882 19.768 ( 0.795 -5.540 16.984) 17.882 20.304 ( 3.501 -14.072 4.774) 15.267 ======================= Grid point 416 (138/180) ======================= q-point: (-0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -0.000 8.250 10.220) 13.134 1.735 ( 0.000 -3.702 -8.820) 9.566 1.757 ( -0.000 3.730 10.260) 10.917 2.191 ( -0.000 2.713 -0.412) 2.744 2.682 ( -0.000 9.094 10.516) 13.903 2.944 ( -0.000 1.511 1.221) 1.943 3.281 ( 0.000 -0.594 -0.904) 1.082 3.407 ( -0.000 0.652 -2.534) 2.616 3.684 ( 0.000 -7.001 4.177) 8.152 4.680 ( -0.000 0.198 25.046) 25.047 5.363 ( 0.000 -0.604 56.611) 56.614 5.666 ( -0.000 0.984 -34.585) 34.599 6.229 ( 0.000 -0.551 -18.679) 18.687 7.136 ( 0.000 -0.012 34.160) 34.160 8.914 ( 0.000 -0.068 -21.077) 21.077 9.171 ( 0.000 -1.405 -46.642) 46.664 15.682 ( -0.000 4.186 33.464) 33.725 15.891 ( -0.000 1.431 14.948) 15.017 17.756 ( 0.000 -0.633 0.305) 0.703 17.905 ( 0.000 -4.113 -5.758) 7.076 18.264 ( -0.000 0.297 -11.934) 11.937 19.171 ( -0.000 6.547 -27.513) 28.282 19.823 ( 0.000 -6.259 17.960) 19.020 20.461 ( 0.000 -16.301 1.359) 16.358 ======================= Grid point 423 (139/180) ======================= q-point: (-0.64 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -0.129 0.000 2.532) 2.535 1.855 ( -9.863 0.000 2.114) 10.086 1.987 ( -6.986 0.000 7.426) 10.196 2.209 ( 0.547 -0.000 -3.878) 3.916 2.730 ( 1.073 -0.000 3.764) 3.914 2.993 ( -0.885 0.000 -4.828) 4.908 3.240 ( -0.019 0.000 3.572) 3.572 3.404 ( 2.362 -0.000 0.759) 2.481 3.641 ( -4.477 0.000 5.936) 7.435 4.990 ( -6.827 0.000 19.482) 20.644 5.339 ( 0.371 -0.000 61.601) 61.602 5.665 ( 0.706 -0.000 -40.507) 40.513 6.295 ( -2.110 0.000 -16.845) 16.977 7.264 ( -3.419 0.000 35.511) 35.675 9.110 ( -5.499 0.000 -21.836) 22.518 9.130 ( 0.110 -0.000 -47.973) 47.974 15.708 ( 2.308 -0.000 33.307) 33.387 15.891 ( 0.956 -0.000 15.745) 15.774 17.755 ( -0.392 0.000 0.461) 0.605 17.800 ( -0.372 0.000 -4.746) 4.760 18.266 ( 0.139 -0.000 -11.842) 11.843 19.201 ( 4.560 -0.000 -29.205) 29.559 19.667 ( -0.202 0.000 13.679) 13.681 19.976 ( 1.763 -0.000 12.724) 12.845 ======================= Grid point 425 (140/180) ======================= q-point: (-0.55 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -13.324 5.721 4.189) 15.093 1.810 ( -5.385 -2.633 1.096) 6.093 1.864 ( -4.281 -0.635 4.030) 5.914 2.218 ( -0.047 -0.792 -5.081) 5.143 2.780 ( 3.865 0.371 4.459) 5.913 2.992 ( 2.878 6.551 -1.949) 7.416 3.265 ( 0.459 -4.510 3.077) 5.479 3.427 ( 0.270 0.501 -0.853) 1.026 3.557 ( -4.711 -1.804 7.833) 9.317 4.851 ( -7.350 0.400 21.648) 22.866 5.346 ( 0.270 -0.085 60.778) 60.778 5.676 ( 0.632 0.276 -40.178) 40.184 6.257 ( -1.901 -0.180 -17.722) 17.824 7.201 ( -3.106 0.010 34.762) 34.901 9.012 ( -4.783 -0.013 -21.663) 22.184 9.135 ( 0.172 -0.442 -47.683) 47.685 15.743 ( 1.793 1.061 34.224) 34.288 15.907 ( 0.798 0.276 15.521) 15.544 17.749 ( -0.317 -0.110 0.117) 0.356 17.801 ( -0.077 -1.220 -5.150) 5.293 18.268 ( 0.113 0.076 -12.249) 12.250 19.274 ( 3.712 2.042 -30.397) 30.690 19.673 ( 0.259 -1.405 14.679) 14.749 20.029 ( 2.394 -3.791 11.494) 12.338 ======================= Grid point 426 (141/180) ======================= q-point: (-0.45 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -9.762 6.765 5.972) 13.294 1.703 ( -6.557 -4.313 -2.946) 8.383 1.830 ( -0.552 1.652 5.166) 5.452 2.221 ( 0.011 0.102 -5.180) 5.181 2.839 ( 2.838 2.842 6.576) 7.705 2.993 ( 3.398 8.059 1.371) 8.853 3.293 ( -1.223 -2.215 -1.151) 2.780 3.418 ( -0.329 0.244 -2.093) 2.133 3.518 ( -2.295 -6.347 9.336) 11.521 4.730 ( -4.713 0.316 23.915) 24.376 5.351 ( 0.154 -0.257 59.848) 59.849 5.683 ( 0.379 0.591 -39.421) 39.428 6.230 ( -1.148 -0.318 -18.369) 18.408 7.154 ( -1.822 0.000 34.243) 34.292 8.939 ( -2.797 -0.069 -21.334) 21.517 9.143 ( 0.138 -0.771 -47.469) 47.475 15.756 ( 0.919 2.342 34.660) 34.751 15.915 ( 0.422 0.719 15.210) 15.233 17.746 ( -0.170 -0.294 -0.037) 0.342 17.816 ( 0.095 -2.665 -5.440) 6.058 18.269 ( 0.060 0.172 -12.464) 12.465 19.300 ( 1.826 4.689 -30.272) 30.687 19.698 ( 0.401 -3.282 15.807) 16.149 20.121 ( 2.033 -8.951 8.939) 12.813 ======================= Grid point 427 (142/180) ======================= q-point: (-0.36 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -0.000 7.655 7.541) 10.745 1.671 ( 0.000 -4.454 -5.142) 6.803 1.807 ( -0.000 2.710 6.284) 6.843 2.217 ( -0.000 0.846 -4.443) 4.523 2.823 ( -0.000 7.580 9.569) 12.208 2.985 ( -0.000 4.624 1.855) 4.983 3.276 ( 0.000 -0.136 -1.743) 1.749 3.414 ( -0.000 0.243 -3.094) 3.103 3.562 ( 0.000 -8.537 7.788) 11.556 4.683 ( -0.000 0.149 24.880) 24.880 5.355 ( 0.000 -0.426 59.003) 59.005 5.681 ( -0.000 0.835 -38.251) 38.260 6.222 ( 0.000 -0.423 -18.621) 18.625 7.136 ( 0.000 -0.009 34.074) 34.074 8.913 ( 0.000 -0.051 -21.158) 21.158 9.152 ( 0.000 -1.082 -47.222) 47.234 15.742 ( -0.000 3.366 34.466) 34.630 15.911 ( -0.000 1.088 14.990) 15.029 17.747 ( 0.000 -0.476 0.019) 0.476 17.843 ( 0.000 -3.674 -5.603) 6.700 18.268 ( -0.000 0.246 -12.394) 12.396 19.273 ( -0.000 6.257 -29.114) 29.778 19.735 ( 0.000 -4.860 16.584) 17.281 20.229 ( 0.000 -12.944 6.122) 14.318 ======================= Grid point 436 (143/180) ======================= 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 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -10.402 0.000 4.161) 11.203 1.661 ( -6.161 0.000 -0.632) 6.194 1.843 ( -0.323 0.000 4.345) 4.357 2.221 ( 0.298 -0.000 -5.884) 5.892 2.857 ( 3.505 -0.000 5.321) 6.372 3.080 ( 2.850 -0.000 -2.482) 3.779 3.261 ( 1.063 -0.000 2.021) 2.283 3.424 ( -0.623 0.000 -2.580) 2.654 3.460 ( -4.213 0.000 11.662) 12.400 4.733 ( -4.876 0.000 23.794) 24.289 5.349 ( 0.126 -0.000 60.206) 60.206 5.687 ( 0.399 -0.000 -40.194) 40.196 6.227 ( -1.136 0.000 -18.355) 18.390 7.154 ( -1.828 0.000 34.210) 34.258 8.939 ( -2.780 0.000 -21.320) 21.500 9.137 ( 0.140 -0.000 -47.671) 47.671 15.775 ( 1.017 -0.000 35.027) 35.042 15.920 ( 0.481 -0.000 15.350) 15.357 17.743 ( -0.181 0.000 -0.123) 0.219 17.794 ( -0.044 0.000 -5.452) 5.452 18.270 ( 0.068 -0.000 -12.621) 12.621 19.339 ( 2.192 -0.000 -31.838) 31.914 19.672 ( 0.237 -0.000 15.208) 15.210 20.048 ( 1.396 -0.000 11.277) 11.363 ======================= Grid point 438 (144/180) ======================= q-point: (-0.45 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 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -0.000 3.772 5.194) 6.419 1.611 ( 0.000 -2.632 -2.113) 3.375 1.837 ( -0.000 0.991 4.601) 4.707 2.224 ( -0.000 0.167 -5.908) 5.911 2.888 ( -0.000 1.488 6.343) 6.515 3.084 ( -0.000 5.901 -0.259) 5.906 3.275 ( -0.000 0.011 -2.314) 2.314 3.416 ( -0.000 0.043 -3.372) 3.373 3.439 ( 0.000 -5.940 13.874) 15.093 4.685 ( -0.000 0.055 24.781) 24.781 5.351 ( 0.000 -0.147 59.872) 59.872 5.690 ( -0.000 0.325 -39.948) 39.950 6.217 ( 0.000 -0.158 -18.586) 18.586 7.136 ( 0.000 -0.003 34.023) 34.023 8.912 ( 0.000 -0.019 -21.206) 21.206 9.140 ( 0.000 -0.405 -47.574) 47.576 15.779 ( -0.000 1.298 35.188) 35.212 15.923 ( -0.000 0.414 15.220) 15.226 17.742 ( 0.000 -0.133 -0.185) 0.228 17.800 ( 0.000 -1.556 -5.540) 5.755 18.271 ( -0.000 0.097 -12.705) 12.706 19.349 ( -0.000 2.924 -31.709) 31.844 19.682 ( 0.000 -1.793 15.628) 15.731 20.083 ( 0.000 -5.284 10.236) 11.519 ======================= Grid point 500 (145/180) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.000 0.000 16.658) 16.658 1.480 ( 0.000 0.000 -17.191) 17.191 2.094 ( 0.000 0.000 11.337) 11.337 2.140 ( 0.000 0.000 3.413) 3.413 2.633 ( 0.000 0.000 10.485) 10.485 2.836 ( 0.000 0.000 -6.655) 6.655 3.342 ( 0.000 0.000 0.234) 0.234 3.346 ( 0.000 0.000 -0.144) 0.144 4.029 ( 0.000 0.000 18.582) 18.582 4.646 ( 0.000 0.000 -40.160) 40.160 5.237 ( 0.000 0.000 28.341) 28.341 5.793 ( 0.000 0.000 -25.212) 25.212 6.880 ( 0.000 0.000 66.765) 66.765 7.819 ( 0.000 0.000 31.822) 31.822 8.158 ( 0.000 0.000 -57.485) 57.485 8.424 ( 0.000 0.000 -27.012) 27.012 16.067 ( 0.000 0.000 14.870) 14.870 16.118 ( 0.000 0.000 8.127) 8.127 17.811 ( 0.000 0.000 2.993) 2.993 17.897 ( 0.000 0.000 -5.418) 5.418 18.158 ( 0.000 0.000 3.936) 3.936 18.450 ( 0.000 0.000 -23.069) 23.069 20.412 ( 0.000 0.000 17.722) 17.722 20.735 ( 0.000 0.000 -13.807) 13.807 ======================= Grid point 501 (146/180) ======================= q-point: ( 0.09 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 7.241 -1.289 14.861) 16.581 1.525 ( 4.005 -0.615 -15.377) 15.901 2.117 ( 4.074 3.901 10.571) 11.982 2.179 ( 3.538 -1.718 3.076) 4.993 2.624 ( -1.922 -2.345 9.683) 10.147 2.807 ( -3.278 -1.235 -5.705) 6.695 3.351 ( 1.109 0.232 0.834) 1.407 3.373 ( 2.395 -0.059 -1.210) 2.684 4.023 ( -0.471 0.569 18.996) 19.011 4.647 ( -0.034 -0.170 -40.370) 40.371 5.261 ( 2.551 0.014 28.003) 28.118 5.810 ( 1.814 0.111 -24.843) 24.909 6.869 ( -0.896 0.525 66.637) 66.645 7.839 ( 2.079 0.009 31.256) 31.325 8.151 ( -0.481 0.581 -56.750) 56.755 8.453 ( 3.004 0.063 -27.203) 27.369 16.069 ( -0.135 -0.910 14.721) 14.749 16.118 ( -0.150 -0.377 8.163) 8.173 17.812 ( 0.147 0.256 2.904) 2.919 17.892 ( -0.221 0.657 -5.028) 5.076 18.158 ( -0.061 -0.213 4.013) 4.020 18.453 ( -0.120 -1.135 -23.197) 23.225 20.375 ( -2.958 2.162 17.013) 17.403 20.679 ( -4.585 2.943 -12.529) 13.662 ======================= Grid point 502 (147/180) ======================= q-point: ( 0.18 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 8.997 -2.818 10.770) 14.314 1.616 ( 4.099 -2.112 -10.843) 11.783 2.183 ( 6.628 5.664 10.874) 13.938 2.303 ( 8.849 0.128 0.102) 8.850 2.601 ( -3.014 -4.228 7.820) 9.387 2.748 ( -3.809 -1.927 -4.051) 5.885 3.374 ( 1.020 -0.239 1.786) 2.071 3.421 ( 2.349 0.173 -2.706) 3.587 4.006 ( -0.603 0.927 20.113) 20.143 4.648 ( 0.042 -0.347 -40.886) 40.887 5.327 ( 4.262 -0.079 26.982) 27.317 5.855 ( 2.947 0.183 -23.839) 24.021 6.841 ( -1.468 0.835 66.340) 66.361 7.892 ( 3.329 -0.158 28.500) 28.694 8.133 ( -0.641 1.211 -53.552) 53.569 8.529 ( 4.958 0.225 -27.727) 28.168 16.075 ( -0.255 -1.606 14.361) 14.453 16.119 ( -0.229 -0.744 8.247) 8.284 17.812 ( 0.134 0.546 2.568) 2.629 17.878 ( -0.559 1.268 -4.003) 4.236 18.159 ( -0.070 -0.390 4.198) 4.216 18.461 ( -0.268 -1.884 -23.496) 23.573 20.277 ( -4.788 3.542 15.241) 16.363 20.533 ( -7.230 4.696 -9.374) 12.736 ======================= Grid point 503 (148/180) ======================= q-point: ( 0.27 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 6.998 -4.116 6.336) 10.298 1.703 ( 2.770 -3.709 -6.484) 7.967 2.253 ( 4.932 6.292 13.297) 15.515 2.471 ( 8.087 4.897 -8.164) 12.492 2.598 ( 0.386 -6.895 9.537) 11.774 2.726 ( 0.809 -2.225 -2.564) 3.490 3.384 ( -0.530 -0.582 2.394) 2.520 3.445 ( 0.193 0.438 -3.399) 3.432 3.990 ( -0.218 0.896 21.459) 21.479 4.654 ( 0.214 -0.480 -41.411) 41.414 5.414 ( 4.634 -0.243 25.377) 25.798 5.911 ( 3.075 0.188 -22.501) 22.711 6.806 ( -1.544 0.838 66.052) 66.076 7.958 ( 3.125 -0.769 18.766) 19.040 8.112 ( -0.200 1.991 -43.300) 43.346 8.624 ( 5.243 0.423 -28.389) 28.872 16.083 ( -0.331 -1.853 13.969) 14.095 16.121 ( -0.234 -0.954 8.332) 8.389 17.808 ( -0.018 0.758 1.926) 2.070 17.853 ( -0.871 1.590 -2.702) 3.254 18.161 ( -0.033 -0.455 4.395) 4.419 18.470 ( -0.403 -1.995 -23.773) 23.860 20.155 ( -4.925 3.710 13.202) 14.571 20.357 ( -7.177 4.746 -5.827) 10.391 ======================= Grid point 504 (149/180) ======================= q-point: ( 0.36 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 4.766 -4.080 2.903) 6.913 1.778 ( 1.940 -4.031 -3.800) 5.870 2.254 ( 0.200 4.961 13.952) 14.809 2.470 ( -1.882 2.160 -7.141) 7.694 2.754 ( 8.702 -2.070 5.273) 10.383 2.826 ( 7.611 -1.617 -1.019) 7.848 3.358 ( -2.655 -0.612 2.357) 3.602 3.417 ( -2.604 0.824 -3.178) 4.190 3.986 ( 0.290 0.521 22.314) 22.322 4.663 ( 0.298 -0.445 -41.677) 41.680 5.495 ( 3.567 -0.307 23.598) 23.868 5.961 ( 2.268 0.133 -21.258) 21.379 6.774 ( -1.144 0.589 65.898) 65.911 8.012 ( 1.334 -1.738 -12.023) 12.221 8.099 ( 0.898 2.722 -12.111) 12.446 8.709 ( 3.891 0.453 -28.950) 29.214 16.090 ( -0.301 -1.488 13.675) 13.759 16.125 ( -0.183 -0.819 8.382) 8.424 17.800 ( -0.129 0.693 1.145) 1.345 17.824 ( -0.838 1.343 -1.550) 2.216 18.164 ( -0.001 -0.357 4.540) 4.554 18.476 ( -0.396 -1.473 -23.879) 23.928 20.048 ( -3.548 2.722 11.592) 12.424 20.208 ( -4.999 3.371 -3.120) 6.789 ======================= Grid point 505 (150/180) ======================= q-point: ( 0.45 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 2.366 -1.897 0.402) 3.059 1.827 ( 0.478 -1.932 -2.091) 2.887 2.213 ( -0.797 2.139 14.065) 14.249 2.424 ( -1.231 0.773 -7.313) 7.456 2.893 ( 4.375 -0.266 6.318) 7.689 2.978 ( 5.569 -0.790 -1.681) 5.871 3.308 ( -2.267 -0.448 1.825) 2.944 3.350 ( -2.874 0.781 -2.651) 3.987 3.989 ( 0.228 0.142 22.530) 22.532 4.670 ( 0.143 -0.184 -41.706) 41.707 5.544 ( 1.342 -0.144 22.386) 22.426 5.990 ( 0.829 0.047 -20.521) 20.538 6.756 ( -0.420 0.208 65.869) 65.870 8.033 ( -0.018 -0.999 -53.083) 53.092 8.102 ( 0.849 1.377 29.148) 29.192 8.757 ( 1.425 0.198 -29.258) 29.294 16.094 ( -0.125 -0.571 13.525) 13.538 16.127 ( -0.072 -0.323 8.401) 8.407 17.794 ( -0.068 0.281 0.594) 0.661 17.805 ( -0.352 0.528 -0.880) 1.085 18.166 ( 0.003 -0.134 4.610) 4.612 18.479 ( -0.169 -0.536 -23.859) 23.866 19.988 ( -1.272 0.988 10.738) 10.858 20.126 ( -1.760 1.202 -1.743) 2.753 ======================= Grid point 512 (151/180) ======================= q-point: ( 0.09 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 8.877 -0.000 11.006) 14.140 1.599 ( 3.724 -0.000 -10.980) 11.594 2.259 ( 6.527 -0.000 5.674) 8.649 2.273 ( 9.725 -0.000 9.089) 13.311 2.569 ( -2.777 0.000 6.096) 6.699 2.731 ( -3.837 0.000 -5.267) 6.517 3.372 ( 0.860 -0.000 1.875) 2.062 3.422 ( 2.371 -0.000 -2.920) 3.761 4.013 ( -0.694 0.000 19.500) 19.513 4.646 ( 0.037 -0.000 -40.608) 40.608 5.326 ( 4.218 -0.000 27.132) 27.458 5.856 ( 2.929 -0.000 -23.888) 24.067 6.848 ( -1.560 0.000 66.365) 66.383 7.891 ( 3.206 -0.000 27.869) 28.052 8.143 ( -0.568 0.000 -52.863) 52.866 8.530 ( 5.003 -0.000 -27.688) 28.136 16.063 ( -0.158 0.000 14.673) 14.674 16.113 ( -0.220 0.000 8.044) 8.047 17.816 ( 0.141 -0.000 2.768) 2.772 17.887 ( -0.583 0.000 -4.287) 4.327 18.156 ( -0.051 0.000 3.784) 3.784 18.446 ( -0.110 0.000 -22.987) 22.987 20.306 ( -5.115 0.000 15.575) 16.393 20.571 ( -7.724 0.000 -9.995) 12.632 ======================= Grid point 513 (152/180) ======================= q-point: ( 0.18 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 7.209 -1.474 6.366) 9.729 1.662 ( 2.563 -1.424 -6.440) 7.077 2.354 ( 5.144 6.288 11.222) 13.854 2.485 ( 6.387 -6.000 13.941) 16.466 2.537 ( 2.956 1.942 -6.780) 7.647 2.695 ( 0.806 -1.437 -4.783) 5.059 3.377 ( -0.614 -0.251 2.666) 2.747 3.448 ( 0.215 0.082 -4.143) 4.149 4.000 ( -0.447 0.356 20.443) 20.451 4.649 ( 0.244 -0.175 -41.050) 41.051 5.411 ( 4.602 -0.077 25.726) 26.134 5.913 ( 3.025 0.066 -22.580) 22.782 6.815 ( -1.754 0.307 66.035) 66.059 7.949 ( 2.697 -0.304 15.720) 15.952 8.134 ( 0.053 0.770 -40.166) 40.173 8.629 ( 5.270 0.157 -28.302) 28.789 16.063 ( -0.031 -0.674 14.385) 14.401 16.111 ( -0.142 -0.351 8.023) 8.032 17.816 ( -0.079 0.264 2.304) 2.320 17.870 ( -1.064 0.583 -3.109) 3.337 18.156 ( 0.041 -0.166 3.790) 3.794 18.449 ( 0.011 -0.753 -23.020) 23.033 20.195 ( -5.721 1.383 13.608) 14.827 20.409 ( -8.286 1.781 -6.607) 10.746 ======================= Grid point 514 (153/180) ======================= q-point: ( 0.27 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 5.850 -2.250 2.639) 6.800 1.724 ( 2.515 -2.645 -3.451) 5.022 2.338 ( -0.967 5.595 11.912) 13.196 2.474 ( -3.652 -1.777 0.025) 4.061 2.735 ( 11.010 -0.326 2.410) 11.275 2.805 ( 8.529 -1.130 -1.664) 8.763 3.348 ( -2.712 -0.534 2.762) 3.907 3.424 ( -2.726 0.174 -4.394) 5.173 3.993 ( 0.036 0.412 21.343) 21.347 4.657 ( 0.440 -0.261 -41.426) 41.429 5.491 ( 3.660 -0.137 24.008) 24.285 5.963 ( 2.192 0.064 -21.310) 21.423 6.781 ( -1.436 0.332 65.814) 65.830 7.990 ( 1.051 -1.016 -9.949) 10.056 8.134 ( 0.827 1.642 -14.117) 14.236 8.714 ( 3.776 0.271 -28.833) 29.081 16.072 ( 0.266 -0.882 14.001) 14.031 16.114 ( 0.068 -0.523 8.106) 8.123 17.809 ( -0.357 0.392 1.537) 1.626 17.841 ( -1.331 0.793 -1.895) 2.447 18.160 ( 0.146 -0.211 4.020) 4.029 18.458 ( 0.256 -0.888 -23.220) 23.238 20.083 ( -4.751 1.631 11.885) 12.903 20.251 ( -6.534 2.043 -3.708) 7.786 ======================= Grid point 515 (154/180) ======================= q-point: ( 0.36 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 4.280 -1.674 0.448) 4.617 1.794 ( 2.788 -2.163 -1.832) 3.976 2.264 ( -2.347 4.098 11.828) 12.736 2.422 ( -2.757 -1.145 -3.767) 4.806 2.894 ( 5.221 0.342 5.473) 7.572 2.971 ( 6.931 -0.185 -1.332) 7.061 3.297 ( -2.411 -0.851 2.103) 3.310 3.354 ( -3.837 -0.060 -3.579) 5.247 3.993 ( 0.100 0.299 22.006) 22.008 4.667 ( 0.408 -0.141 -41.632) 41.634 5.543 ( 1.590 -0.027 22.555) 22.611 5.991 ( 0.741 0.006 -20.490) 20.503 6.759 ( -0.753 0.126 65.761) 65.765 8.009 ( 0.162 -1.564 -34.353) 34.389 8.132 ( 0.159 1.934 10.399) 10.578 8.760 ( 1.146 0.157 -29.137) 29.160 16.086 ( 0.678 -0.481 13.634) 13.660 16.121 ( 0.331 -0.355 8.304) 8.318 17.798 ( -0.470 0.215 0.773) 0.930 17.812 ( -1.110 0.416 -1.025) 1.567 18.164 ( 0.202 -0.102 4.402) 4.408 18.471 ( 0.630 -0.418 -23.584) 23.596 20.002 ( -2.733 0.785 10.856) 11.222 20.144 ( -3.522 0.995 -1.984) 4.162 ======================= Grid point 516 (155/180) ======================= q-point: (-0.55 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 0.487 0.668 0.461) 0.946 1.851 ( 2.132 1.168 -2.179) 3.265 2.205 ( -1.434 1.084 13.187) 13.309 2.400 ( -0.817 -2.278 -6.609) 7.038 2.902 ( -3.620 0.863 6.428) 7.428 2.996 ( -4.145 1.533 -2.459) 5.058 3.309 ( 2.760 -0.476 1.538) 3.195 3.330 ( 1.439 -1.564 -1.552) 2.631 3.989 ( -0.359 0.131 22.670) 22.673 4.673 ( 0.148 0.169 -41.795) 41.795 5.547 ( -1.075 0.241 22.102) 22.130 5.989 ( -0.925 -0.085 -20.397) 20.419 6.752 ( 0.060 -0.234 65.800) 65.801 8.025 ( 0.270 -1.660 -49.207) 49.236 8.105 ( -1.664 1.419 25.134) 25.229 8.754 ( -1.729 -0.174 -29.167) 29.218 16.103 ( 1.030 0.463 13.356) 13.403 16.130 ( 0.535 0.153 8.581) 8.599 17.790 ( -0.389 -0.256 0.402) 0.615 17.797 ( -0.488 -0.468 -0.740) 1.003 18.168 ( 0.213 0.123 4.837) 4.843 18.487 ( 1.033 0.480 -24.139) 24.166 19.973 ( -0.319 -0.867 10.643) 10.683 20.109 ( -0.164 -1.002 -1.549) 1.852 ======================= Grid point 517 (156/180) ======================= q-point: (-0.45 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -3.041 4.567 2.545) 6.049 1.842 ( -0.800 4.063 -3.681) 5.540 2.191 ( -1.554 -3.053 13.869) 14.286 2.416 ( -1.016 -4.477 -8.613) 9.760 2.790 ( -5.631 2.286 5.010) 7.876 2.857 ( -6.979 2.511 -1.092) 7.497 3.365 ( 2.645 0.190 1.583) 3.088 3.396 ( 2.606 -1.824 -1.144) 3.380 3.979 ( -0.640 -0.277 23.294) 23.305 4.670 ( -0.103 0.494 -41.973) 41.976 5.501 ( -3.457 0.445 22.967) 23.230 5.959 ( -2.362 -0.187 -21.075) 21.208 6.764 ( 0.768 -0.682 65.863) 65.871 8.040 ( -0.715 1.464 -36.101) 36.138 8.056 ( -1.997 -2.438 11.744) 12.159 8.701 ( -4.044 -0.487 -28.918) 29.203 16.115 ( 1.115 1.628 13.211) 13.357 16.137 ( 0.580 0.800 8.835) 8.891 17.789 ( -0.223 -0.810 0.617) 1.042 17.802 ( 0.153 -1.480 -1.119) 1.862 18.170 ( 0.200 0.391 5.216) 5.234 18.501 ( 1.241 1.580 -24.737) 24.819 20.003 ( 1.958 -2.927 11.235) 11.773 20.153 ( 2.976 -3.570 -2.405) 5.233 ======================= Grid point 518 (157/180) ======================= q-point: (-0.36 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -6.659 5.872 5.893) 10.656 1.770 ( -3.027 4.745 -6.114) 8.310 2.165 ( -4.828 -5.037 12.830) 14.604 2.386 ( -7.255 -5.937 -8.602) 12.723 2.699 ( 0.179 6.083 5.580) 8.256 2.760 ( -0.693 2.187 -0.311) 2.315 3.392 ( 0.470 0.462 1.787) 1.905 3.433 ( -0.029 -1.127 -1.934) 2.239 3.975 ( -0.237 -0.996 23.162) 23.185 4.663 ( -0.153 0.652 -41.964) 41.969 5.419 ( -4.705 0.398 24.726) 25.173 5.908 ( -3.154 -0.274 -22.311) 22.535 6.790 ( 1.196 -1.126 65.994) 66.015 7.971 ( -3.915 0.722 26.328) 26.627 8.077 ( 0.675 -2.263 -51.098) 51.152 8.617 ( -5.202 -0.555 -28.419) 28.897 16.118 ( 0.894 2.531 13.239) 13.508 16.139 ( 0.472 1.293 8.959) 9.064 17.793 ( -0.133 -1.121 1.256) 1.689 17.823 ( 0.495 -2.175 -2.043) 3.024 18.170 ( 0.172 0.612 5.409) 5.447 18.507 ( 1.099 2.586 -25.049) 25.206 20.087 ( 3.564 -4.857 12.547) 13.918 20.270 ( 5.297 -6.145 -4.564) 9.309 ======================= Grid point 519 (158/180) ======================= q-point: (-0.27 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -9.382 4.939 10.012) 14.582 1.660 ( -5.143 3.394 -10.253) 11.962 2.101 ( -5.491 -4.793 11.318) 13.461 2.271 ( -7.512 -3.486 -4.869) 9.607 2.689 ( 3.051 6.581 7.404) 10.365 2.783 ( 3.996 2.368 -1.579) 4.906 3.378 ( -1.418 0.315 1.493) 2.083 3.416 ( -2.200 -0.499 -2.064) 3.058 3.986 ( 0.314 -1.546 21.882) 21.939 4.656 ( -0.053 0.612 -41.593) 41.598 5.329 ( -4.392 0.167 26.558) 26.919 5.851 ( -2.992 -0.319 -23.691) 23.881 6.823 ( 1.223 -1.421 66.233) 66.259 7.895 ( -3.626 0.176 30.217) 30.434 8.108 ( 0.790 -1.931 -55.464) 55.504 8.524 ( -4.837 -0.383 -27.784) 28.205 16.110 ( 0.543 2.849 13.508) 13.816 16.136 ( 0.305 1.395 8.876) 8.990 17.799 ( -0.142 -1.072 1.986) 2.261 17.850 ( 0.460 -2.265 -3.261) 3.997 18.167 ( 0.134 0.694 5.312) 5.359 18.501 ( 0.698 3.146 -24.871) 25.078 20.202 ( 3.894 -5.992 14.367) 16.046 20.434 ( 5.897 -7.866 -7.750) 12.518 ======================= Grid point 520 (159/180) ======================= q-point: (-0.18 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -7.473 3.500 13.867) 16.136 1.542 ( -4.693 1.533 -14.461) 15.281 2.051 ( -3.118 -4.022 11.339) 12.429 2.185 ( -3.387 -0.975 -1.812) 3.963 2.691 ( 2.157 6.103 9.926) 11.850 2.840 ( 3.582 2.734 -3.763) 5.870 3.345 ( -1.842 -0.494 1.121) 2.212 3.373 ( -2.027 -0.004 -1.541) 2.546 4.006 ( 0.372 -1.563 20.298) 20.361 4.652 ( 0.020 0.473 -41.005) 41.008 5.261 ( -2.622 -0.031 27.814) 27.937 5.807 ( -1.829 -0.299 -24.753) 24.822 6.854 ( 0.794 -1.416 66.515) 66.535 7.839 ( -2.155 -0.036 31.458) 31.532 8.134 ( 0.518 -1.554 -57.101) 57.124 8.451 ( -2.937 -0.172 -27.234) 27.393 16.096 ( 0.228 2.560 13.978) 14.213 16.130 ( 0.152 1.137 8.639) 8.715 17.804 ( -0.124 -0.798 2.531) 2.657 17.872 ( 0.225 -1.866 -4.399) 4.783 18.164 ( 0.077 0.614 4.937) 4.975 18.486 ( 0.280 3.028 -24.318) 24.508 20.312 ( 2.604 -5.835 16.185) 17.401 20.593 ( 4.028 -7.883 -11.016) 14.132 ======================= Grid point 521 (160/180) ======================= q-point: (-0.09 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -0.000 2.338 16.018) 16.188 1.486 ( -0.000 0.696 -16.555) 16.570 2.051 ( 0.000 -3.766 11.605) 12.201 2.156 ( -0.000 0.501 0.580) 0.766 2.670 ( -0.000 4.647 10.915) 11.863 2.856 ( -0.000 2.428 -5.590) 6.095 3.331 ( 0.000 -0.952 1.018) 1.394 3.352 ( -0.000 0.327 -1.015) 1.066 4.020 ( 0.000 -1.162 19.245) 19.280 4.649 ( -0.000 0.322 -40.517) 40.518 5.236 ( 0.000 -0.071 28.269) 28.269 5.791 ( 0.000 -0.221 -25.169) 25.170 6.872 ( 0.000 -1.074 66.693) 66.702 7.818 ( 0.000 -0.064 31.807) 31.807 8.150 ( 0.000 -1.091 -57.555) 57.565 8.423 ( 0.000 -0.078 -27.017) 27.017 16.081 ( -0.000 1.835 14.456) 14.572 16.124 ( -0.000 0.753 8.373) 8.406 17.808 ( 0.000 -0.504 2.819) 2.863 17.887 ( 0.000 -1.279 -5.069) 5.228 18.161 ( -0.000 0.430 4.439) 4.460 18.468 ( -0.000 2.269 -23.678) 23.787 20.378 ( 0.000 -4.380 17.248) 17.795 20.687 ( 0.000 -5.995 -12.942) 14.263 ======================= Grid point 524 (161/180) ======================= q-point: ( 0.18 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 6.285 -0.000 2.343) 6.707 1.703 ( 2.631 -0.000 -3.154) 4.107 2.413 ( -2.061 0.000 6.010) 6.354 2.427 ( -3.025 0.000 9.172) 9.658 2.736 ( 10.917 -0.000 0.132) 10.918 2.794 ( 9.308 -0.000 -1.960) 9.513 3.344 ( -2.756 0.000 2.869) 3.979 3.425 ( -2.791 0.000 -4.807) 5.558 3.997 ( -0.053 0.000 20.946) 20.946 4.655 ( 0.491 -0.000 -41.326) 41.329 5.490 ( 3.696 -0.000 24.144) 24.425 5.963 ( 2.163 -0.000 -21.311) 21.421 6.784 ( -1.546 0.000 65.759) 65.777 7.982 ( 0.931 -0.000 -9.534) 9.579 8.147 ( 0.818 -0.000 -14.530) 14.553 8.717 ( 3.734 -0.000 -28.758) 29.000 16.065 ( 0.466 -0.000 14.117) 14.124 16.110 ( 0.150 -0.000 8.017) 8.019 17.812 ( -0.434 0.000 1.681) 1.736 17.847 ( -1.510 0.000 -2.027) 2.527 18.158 ( 0.200 -0.000 3.826) 3.831 18.451 ( 0.502 -0.000 -22.973) 22.979 20.096 ( -5.197 0.000 12.000) 13.077 20.268 ( -7.105 0.000 -3.937) 8.123 ======================= Grid point 525 (162/180) ======================= q-point: ( 0.27 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 4.929 -0.240 -0.177) 4.938 1.766 ( 4.288 -1.334 -1.126) 4.630 2.330 ( -3.205 4.109 7.423) 9.070 2.389 ( -3.287 -2.906 2.194) 4.905 2.899 ( 5.710 0.263 4.592) 7.332 2.970 ( 7.915 0.010 -1.182) 8.003 3.286 ( -2.742 -0.441 2.166) 3.522 3.352 ( -4.389 -0.154 -4.104) 6.011 3.997 ( 0.023 0.150 21.536) 21.537 4.666 ( 0.564 -0.053 -41.589) 41.593 5.543 ( 1.738 0.008 22.614) 22.680 5.991 ( 0.686 -0.004 -20.408) 20.420 6.760 ( -0.951 0.039 65.621) 65.628 7.992 ( 0.082 -0.622 -28.475) 28.481 8.154 ( -0.061 0.778 4.441) 4.509 8.761 ( 0.981 0.059 -28.971) 28.988 16.081 ( 1.142 -0.189 13.678) 13.727 16.117 ( 0.558 -0.156 8.277) 8.297 17.801 ( -0.701 0.080 0.881) 1.128 17.817 ( -1.554 0.158 -1.118) 1.921 18.163 ( 0.319 -0.038 4.279) 4.291 18.467 ( 1.108 -0.158 -23.413) 23.440 20.010 ( -3.600 0.299 10.939) 11.519 20.155 ( -4.566 0.388 -2.153) 5.063 ======================= Grid point 526 (163/180) ======================= q-point: ( 0.36 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 2.662 -0.208 1.193) 2.925 1.863 ( 4.304 0.483 -2.510) 5.006 2.241 ( -3.099 3.277 9.121) 10.175 2.357 ( -2.574 -3.238 -2.256) 4.712 2.915 ( -3.286 0.764 6.269) 7.119 3.022 ( -2.835 1.574 -3.702) 4.921 3.290 ( 2.502 -1.689 1.862) 3.547 3.313 ( 0.955 -0.593 -0.887) 1.432 3.992 ( -0.446 0.191 22.475) 22.481 4.675 ( 0.373 0.100 -41.870) 41.872 5.551 ( -0.872 0.193 21.817) 21.836 5.988 ( -1.001 -0.071 -20.188) 20.213 6.749 ( -0.211 -0.158 65.614) 65.615 8.000 ( 0.037 -1.326 -35.888) 35.912 8.128 ( -1.865 1.232 11.595) 11.809 8.752 ( -1.962 -0.101 -28.938) 29.005 16.108 ( 1.741 0.247 13.190) 13.306 16.132 ( 0.903 0.024 8.771) 8.817 17.787 ( -0.745 -0.150 0.259) 0.803 17.791 ( -1.147 -0.271 -0.647) 1.345 18.170 ( 0.378 0.073 5.010) 5.025 18.493 ( 1.688 0.280 -24.338) 24.398 19.962 ( -1.535 -0.497 10.593) 10.716 20.097 ( -1.635 -0.548 -1.448) 2.251 ======================= Grid point 527 (164/180) ======================= q-point: (-0.55 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -0.495 3.161 2.248) 3.911 1.898 ( 0.639 3.099 -3.237) 4.526 2.166 ( -3.613 0.008 11.158) 11.728 2.340 ( -3.273 -5.273 -6.045) 8.664 2.819 ( -4.420 1.435 4.636) 6.564 2.901 ( -5.980 2.961 -2.898) 7.275 3.356 ( 2.247 -1.869 1.496) 3.283 3.370 ( 3.222 -0.689 0.700) 3.368 3.977 ( -0.956 0.008 23.829) 23.848 4.677 ( 0.087 0.383 -42.219) 42.221 5.508 ( -3.366 0.418 22.296) 22.553 5.956 ( -2.447 -0.177 -20.778) 20.923 6.754 ( 0.430 -0.547 65.675) 65.679 8.013 ( -0.372 -2.195 -24.930) 25.029 8.070 ( -2.801 1.521 0.234) 3.196 8.694 ( -4.187 -0.368 -28.703) 29.009 16.138 ( 1.935 1.250 12.733) 12.940 16.148 ( 1.025 0.545 9.358) 9.430 17.777 ( -0.625 -0.702 0.064) 0.942 17.781 ( -0.514 -1.106 -0.693) 1.403 18.176 ( 0.387 0.301 5.833) 5.854 18.523 ( 2.018 1.195 -25.522) 25.629 19.963 ( 0.487 -2.207 10.933) 11.164 20.104 ( 1.103 -2.656 -1.801) 3.393 ======================= Grid point 528 (165/180) ======================= q-point: (-0.45 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -6.097 6.335 4.843) 10.038 1.843 ( -3.247 4.495 -4.922) 7.415 2.099 ( -4.996 -3.419 10.849) 12.424 2.291 ( -6.794 -6.294 -7.477) 11.902 2.771 ( 1.325 2.634 2.740) 4.025 2.805 ( -0.808 4.170 0.101) 4.249 3.393 ( 0.341 -0.764 1.364) 1.600 3.413 ( 0.514 -1.011 -0.203) 1.153 3.961 ( -0.825 -0.673 24.883) 24.906 4.673 ( -0.073 0.623 -42.491) 42.495 5.425 ( -4.809 0.445 23.931) 24.414 5.903 ( -3.229 -0.285 -22.014) 22.252 6.773 ( 0.826 -1.061 65.796) 65.810 7.975 ( -4.335 -0.331 33.220) 33.503 8.050 ( 0.721 -1.026 -58.366) 58.379 8.608 ( -5.161 -0.508 -28.293) 28.765 16.156 ( 1.163 1.875 11.268) 11.482 16.161 ( 1.313 1.816 10.942) 11.169 17.775 ( -0.386 -1.196 0.455) 1.337 17.789 ( -0.020 -2.114 -1.347) 2.507 18.179 ( 0.342 0.578 6.512) 6.546 18.546 ( 1.877 2.376 -26.472) 26.644 20.013 ( 2.053 -4.451 11.871) 12.844 20.177 ( 3.229 -5.581 -3.244) 7.218 ======================= Grid point 529 (166/180) ======================= q-point: (-0.36 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -10.077 5.914 8.656) 14.541 1.714 ( -6.722 3.456 -8.849) 11.637 2.037 ( -4.207 -3.387 9.985) 11.352 2.208 ( -5.626 -4.296 -6.265) 9.453 2.791 ( 3.280 6.335 3.984) 8.171 2.817 ( 4.418 2.098 0.758) 4.950 3.380 ( -1.916 -0.230 1.169) 2.256 3.406 ( -1.705 -0.592 -1.195) 2.165 3.961 ( -0.184 -1.620 24.473) 24.527 4.666 ( -0.061 0.706 -42.435) 42.441 5.332 ( -4.592 0.229 25.953) 26.357 5.845 ( -3.042 -0.365 -23.458) 23.657 6.800 ( 0.908 -1.567 66.000) 66.025 7.896 ( -3.879 -0.019 32.080) 32.314 8.078 ( 0.817 -1.869 -57.667) 57.703 8.517 ( -4.680 -0.420 -27.760) 28.155 16.156 ( 0.626 2.342 11.083) 11.345 16.164 ( 0.903 2.770 11.178) 11.551 17.780 ( -0.223 -1.436 1.109) 1.828 17.810 ( 0.230 -2.737 -2.321) 3.596 18.179 ( 0.244 0.803 6.784) 6.836 18.554 ( 1.292 3.452 -26.729) 26.982 20.102 ( 2.690 -6.556 13.271) 15.045 20.303 ( 4.126 -8.520 -5.690) 11.045 ======================= Grid point 530 (167/180) ======================= q-point: (-0.27 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -7.899 4.769 12.021) 15.154 1.568 ( -5.820 1.679 -12.559) 13.943 2.000 ( -2.185 -2.592 10.386) 10.926 2.158 ( -2.470 -2.206 -4.903) 5.917 2.798 ( 2.577 7.210 7.734) 10.883 2.884 ( 4.087 2.871 -1.227) 5.143 3.337 ( -2.579 -0.618 1.422) 3.009 3.372 ( -1.791 -0.157 -1.905) 2.620 3.976 ( 0.159 -2.139 22.836) 22.937 4.661 ( -0.002 0.661 -42.009) 42.015 5.260 ( -2.755 -0.028 27.484) 27.622 5.801 ( -1.849 -0.397 -24.592) 24.665 6.828 ( 0.625 -1.870 66.258) 66.288 7.838 ( -2.246 -0.080 31.745) 31.824 8.106 ( 0.524 -2.021 -57.670) 57.708 8.448 ( -2.819 -0.228 -27.256) 27.402 16.144 ( 0.335 3.146 12.199) 12.603 16.155 ( 0.293 2.326 10.130) 10.397 17.787 ( -0.117 -1.342 1.782) 2.234 17.836 ( 0.187 -2.764 -3.375) 4.366 18.176 ( 0.119 0.882 6.513) 6.573 18.542 ( 0.565 4.001 -26.245) 26.555 20.204 ( 1.990 -7.718 14.835) 16.841 20.448 ( 3.078 -10.311 -8.547) 13.742 ======================= Grid point 531 (168/180) ======================= q-point: (-0.18 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -0.000 4.017 14.244) 14.800 1.500 ( -0.000 1.003 -14.730) 14.764 1.999 ( 0.000 -2.791 11.116) 11.461 2.148 ( 0.000 -1.280 -3.523) 3.748 2.766 ( -0.000 7.324 10.064) 12.447 2.902 ( -0.000 3.322 -3.190) 4.606 3.315 ( 0.000 -1.046 1.732) 2.023 3.355 ( 0.000 -0.025 -1.984) 1.984 3.995 ( 0.000 -2.049 21.229) 21.328 4.656 ( -0.000 0.572 -41.437) 41.441 5.235 ( 0.000 -0.119 28.076) 28.076 5.786 ( 0.000 -0.374 -25.053) 25.056 6.849 ( 0.000 -1.818 66.472) 66.497 7.817 ( 0.000 -0.108 31.766) 31.766 8.126 ( 0.000 -1.865 -57.749) 57.779 8.422 ( 0.000 -0.131 -27.031) 27.031 16.121 ( -0.000 3.249 13.288) 13.680 16.142 ( -0.000 1.604 9.187) 9.326 17.796 ( 0.000 -1.071 2.271) 2.511 17.858 ( 0.000 -2.385 -4.161) 4.796 18.171 ( -0.000 0.799 5.803) 5.858 18.516 ( -0.000 3.827 -25.323) 25.611 20.284 ( 0.000 -7.441 16.001) 17.646 20.560 ( 0.000 -10.080 -10.678) 14.685 ======================= Grid point 536 (169/180) ======================= q-point: ( 0.27 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 3.347 -0.000 1.572) 3.697 1.867 ( 5.177 -0.000 -2.716) 5.846 2.288 ( -3.495 0.000 3.808) 5.169 2.311 ( -3.381 0.000 3.272) 4.705 2.922 ( -3.228 0.000 6.232) 7.018 3.036 ( -2.221 0.000 -4.496) 5.015 3.274 ( 1.832 -0.000 2.502) 3.101 3.308 ( 1.276 -0.000 -0.915) 1.570 3.994 ( -0.475 0.000 22.343) 22.348 4.676 ( 0.458 -0.000 -41.900) 41.903 5.552 ( -0.796 0.000 21.696) 21.711 5.987 ( -1.030 0.000 -20.083) 20.109 6.748 ( -0.312 0.000 65.515) 65.515 7.989 ( -0.052 0.000 -32.829) 32.829 8.138 ( -1.938 0.000 8.428) 8.648 8.751 ( -2.049 0.000 -28.817) 28.890 16.110 ( 2.011 -0.000 13.119) 13.273 16.132 ( 1.044 -0.000 8.853) 8.915 17.786 ( -0.871 0.000 0.208) 0.896 17.789 ( -1.404 0.000 -0.616) 1.533 18.170 ( 0.440 -0.000 5.075) 5.094 18.495 ( 1.932 -0.000 -24.409) 24.485 19.958 ( -1.989 0.000 10.580) 10.765 20.092 ( -2.183 0.000 -1.421) 2.605 ======================= Grid point 537 (170/180) ======================= q-point: (-0.64 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 1.748 0.973 2.801) 3.442 1.932 ( 1.608 1.155 -2.748) 3.387 2.192 ( -5.075 3.188 5.310) 8.007 2.259 ( -4.948 -4.916 -1.013) 7.048 2.835 ( -4.198 0.510 4.831) 6.420 2.938 ( -5.328 1.424 -5.103) 7.514 3.328 ( 2.512 -1.228 3.919) 4.814 3.365 ( 3.236 -0.140 -0.007) 3.239 3.978 ( -1.131 0.051 23.972) 23.999 4.681 ( 0.204 0.144 -42.357) 42.357 5.513 ( -3.317 0.174 21.858) 22.109 5.954 ( -2.496 -0.075 -20.537) 20.689 6.748 ( 0.232 -0.209 65.488) 65.489 7.989 ( -0.509 -0.820 -21.864) 21.885 8.087 ( -2.947 0.585 -3.095) 4.314 8.690 ( -4.273 -0.137 -28.490) 28.809 16.152 ( 2.428 0.476 12.352) 12.598 16.154 ( 1.357 0.179 9.793) 9.888 17.767 ( -1.012 -0.401 -0.468) 1.185 17.770 ( -0.824 -0.288 -0.255) 0.909 18.179 ( 0.500 0.113 6.199) 6.221 18.536 ( 2.483 0.443 -25.987) 26.109 19.939 ( -0.390 -0.816 10.765) 10.803 20.075 ( -0.018 -0.974 -1.464) 1.758 ======================= Grid point 538 (171/180) ======================= q-point: (-0.55 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -4.910 5.241 3.530) 8.002 1.899 ( -3.518 2.223 -2.151) 4.685 2.065 ( -6.224 -0.550 6.744) 9.193 2.195 ( -5.945 -5.912 -5.265) 9.900 2.797 ( 1.049 1.029 3.456) 3.756 2.867 ( 0.050 3.189 -3.079) 4.433 3.369 ( 0.499 -1.681 3.355) 3.786 3.407 ( 0.894 -0.130 -0.500) 1.032 3.954 ( -1.322 -0.268 26.011) 26.046 4.681 ( -0.003 0.381 -42.844) 42.846 5.431 ( -4.908 0.301 23.268) 23.782 5.899 ( -3.277 -0.187 -21.715) 21.961 6.759 ( 0.550 -0.641 65.543) 65.549 7.963 ( -3.394 -0.881 22.937) 23.204 8.045 ( -0.528 0.102 -48.452) 48.455 8.602 ( -5.131 -0.301 -28.087) 28.553 16.174 ( 1.177 0.763 10.455) 10.549 16.191 ( 2.344 1.526 11.861) 12.186 17.758 ( -0.630 -0.994 -0.371) 1.234 17.762 ( -0.539 -1.129 -0.674) 1.421 18.186 ( 0.482 0.350 7.356) 7.380 18.576 ( 2.500 1.422 -27.598) 27.748 19.957 ( 0.883 -2.635 11.375) 11.710 20.107 ( 1.628 -3.291 -2.254) 4.308 ======================= Grid point 539 (172/180) ======================= q-point: (-0.45 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -11.125 5.463 6.741) 14.108 1.760 ( -8.688 2.274 -6.424) 11.042 1.995 ( -2.853 -2.090 7.946) 8.698 2.145 ( -3.266 -3.643 -6.261) 7.946 2.844 ( 4.290 1.448 2.687) 5.265 2.880 ( 3.963 4.739 -0.415) 6.191 3.367 ( -1.897 -1.276 2.016) 3.048 3.402 ( -1.326 -0.048 -1.193) 1.785 3.939 ( -0.800 -1.152 27.093) 27.130 4.677 ( -0.060 0.567 -43.122) 43.126 5.335 ( -4.804 0.208 25.352) 25.805 5.840 ( -3.075 -0.294 -23.199) 23.404 6.777 ( 0.623 -1.209 65.687) 65.701 7.894 ( -3.841 -0.256 32.229) 32.458 8.054 ( 0.538 -1.173 -58.201) 58.216 8.512 ( -4.537 -0.321 -27.649) 28.020 16.183 ( 0.764 1.489 10.870) 10.998 16.212 ( 1.647 2.839 11.476) 11.936 17.757 ( -0.388 -1.360 0.134) 1.421 17.770 ( -0.127 -2.325 -1.447) 2.742 18.191 ( 0.368 0.643 8.158) 8.191 18.603 ( 1.891 2.699 -28.557) 28.747 20.010 ( 1.551 -5.019 12.308) 13.383 20.184 ( 2.465 -6.493 -3.815) 7.923 ======================= Grid point 540 (173/180) ======================= q-point: (-0.36 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -8.452 4.813 9.545) 13.628 1.590 ( -6.997 0.997 -9.748) 12.041 1.971 ( -1.251 -1.195 8.610) 8.782 2.125 ( -1.326 -1.921 -6.115) 6.545 2.898 ( 3.152 4.902 4.195) 7.181 2.929 ( 4.427 3.420 0.426) 5.610 3.326 ( -2.861 -0.774 1.760) 3.447 3.369 ( -1.793 -0.165 -2.258) 2.888 3.943 ( -0.175 -2.074 26.241) 26.324 4.671 ( -0.025 0.649 -43.009) 43.014 5.260 ( -2.921 -0.014 27.111) 27.268 5.795 ( -1.864 -0.370 -24.405) 24.479 6.799 ( 0.443 -1.732 65.900) 65.924 7.836 ( -2.273 -0.121 31.886) 31.968 8.075 ( 0.429 -1.830 -58.160) 58.191 8.444 ( -2.688 -0.211 -27.244) 27.377 16.180 ( 0.311 2.010 10.857) 11.046 16.208 ( 0.747 3.806 11.416) 12.057 17.764 ( -0.165 -1.618 0.751) 1.792 17.790 ( 0.057 -2.995 -2.273) 3.760 18.190 ( 0.184 0.877 8.270) 8.319 18.604 ( 0.914 3.799 -28.496) 28.762 20.086 ( 1.298 -7.157 13.428) 15.272 20.291 ( 2.020 -9.488 -5.908) 11.358 ======================= Grid point 541 (174/180) ======================= q-point: (-0.27 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -0.000 4.630 11.674) 12.558 1.514 ( -0.000 0.725 -11.965) 11.987 1.968 ( 0.000 -1.274 9.483) 9.569 2.125 ( 0.000 -1.510 -5.669) 5.867 2.881 ( -0.000 7.056 6.970) 9.918 2.953 ( -0.000 3.148 -0.816) 3.252 3.300 ( 0.000 -0.922 2.130) 2.321 3.352 ( 0.000 -0.270 -2.766) 2.779 3.960 ( 0.000 -2.405 24.420) 24.538 4.666 ( -0.000 0.668 -42.561) 42.566 5.233 ( 0.000 -0.130 27.823) 27.824 5.780 ( 0.000 -0.408 -24.899) 24.903 6.818 ( 0.000 -1.993 66.121) 66.151 7.815 ( 0.000 -0.117 31.712) 31.712 8.095 ( 0.000 -2.070 -58.014) 58.051 8.420 ( 0.000 -0.142 -27.050) 27.050 16.166 ( -0.000 2.204 10.654) 10.880 16.184 ( -0.000 3.946 11.598) 12.251 17.775 ( 0.000 -1.568 1.354) 2.072 17.815 ( 0.000 -3.073 -3.001) 4.295 18.184 ( -0.000 0.960 7.634) 7.694 18.580 ( -0.000 4.275 -27.584) 27.913 20.160 ( 0.000 -8.190 14.426) 16.589 20.393 ( 0.000 -10.982 -7.793) 13.466 ======================= Grid point 548 (175/180) ======================= q-point: (-0.64 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -1.010 0.000 2.305) 2.517 1.900 ( -6.656 0.000 1.499) 6.823 2.079 ( -9.155 0.000 2.286) 9.436 2.131 ( -3.558 0.000 -3.380) 4.908 2.805 ( 1.018 -0.000 3.878) 4.009 2.893 ( 0.235 -0.000 -4.704) 4.710 3.354 ( 0.681 -0.000 4.676) 4.726 3.406 ( 0.969 -0.000 -0.863) 1.298 3.952 ( -1.513 0.000 26.378) 26.421 4.684 ( 0.025 -0.000 -42.966) 42.966 5.434 ( -4.949 0.000 23.009) 23.536 5.898 ( -3.294 0.000 -21.585) 21.835 6.754 ( 0.449 -0.000 65.425) 65.426 7.955 ( -2.933 0.000 17.080) 17.330 8.047 ( -1.109 0.000 -42.751) 42.766 8.599 ( -5.120 0.000 -27.985) 28.450 16.180 ( 1.338 -0.000 10.706) 10.789 16.203 ( 2.622 -0.000 11.673) 11.964 17.749 ( -0.754 0.000 -0.591) 0.959 17.754 ( -0.747 0.000 -0.530) 0.916 18.189 ( 0.537 -0.000 7.672) 7.690 18.588 ( 2.741 -0.000 -28.030) 28.164 19.936 ( 0.444 -0.000 11.193) 11.202 20.081 ( 1.024 -0.000 -1.884) 2.144 ======================= Grid point 550 (176/180) ======================= q-point: (-0.55 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -12.400 2.740 4.708) 13.543 1.781 ( -10.178 0.395 -3.539) 10.783 1.973 ( -1.934 -0.748 6.274) 6.608 2.103 ( -0.982 -1.525 -6.145) 6.407 2.859 ( 4.420 0.530 3.564) 5.702 2.932 ( 4.030 1.842 -3.491) 5.641 3.350 ( -1.491 -0.742 3.539) 3.912 3.402 ( -1.270 0.010 -1.747) 2.160 3.927 ( -1.249 -0.402 28.732) 28.762 4.683 ( -0.056 0.218 -43.492) 43.492 5.338 ( -4.944 0.085 24.978) 25.462 5.837 ( -3.089 -0.113 -23.022) 23.228 6.764 ( 0.456 -0.453 65.454) 65.457 7.890 ( -3.630 -0.166 30.849) 31.062 8.042 ( 0.168 -0.363 -57.081) 57.083 8.508 ( -4.452 -0.119 -27.544) 27.902 16.200 ( 1.020 0.597 11.492) 11.552 16.244 ( 2.061 1.128 11.010) 11.258 17.740 ( -0.474 -0.748 -0.727) 1.146 17.745 ( -0.494 -0.761 -0.732) 1.165 18.198 ( 0.452 0.246 8.986) 9.000 18.632 ( 2.283 1.028 -29.730) 29.835 19.955 ( 0.860 -1.871 11.750) 11.929 20.113 ( 1.456 -2.422 -2.674) 3.891 ======================= Grid point 551 (177/180) ======================= q-point: (-0.45 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -9.025 3.396 6.888) 11.850 1.597 ( -7.805 0.018 -6.637) 10.245 1.960 ( -0.498 -0.377 7.079) 7.106 2.102 ( -0.365 -1.023 -6.487) 6.577 2.939 ( 4.150 1.301 3.469) 5.563 2.991 ( 3.920 3.447 -1.561) 5.449 3.314 ( -2.585 -0.694 2.331) 3.549 3.368 ( -1.976 -0.063 -2.677) 3.328 3.916 ( -0.544 -1.289 29.452) 29.485 4.679 ( -0.041 0.405 -43.706) 43.707 5.260 ( -3.061 -0.003 26.818) 26.992 5.790 ( -1.871 -0.223 -24.251) 24.324 6.777 ( 0.305 -1.034 65.568) 65.577 7.834 ( -2.219 -0.103 31.753) 31.830 8.052 ( 0.264 -1.067 -58.316) 58.327 8.442 ( -2.587 -0.125 -27.214) 27.337 16.207 ( 0.489 1.379 11.770) 11.861 16.259 ( 1.048 2.525 10.684) 11.028 17.741 ( -0.246 -1.213 -0.298) 1.273 17.750 ( -0.142 -2.027 -1.351) 2.441 18.201 ( 0.247 0.550 9.647) 9.666 18.653 ( 1.220 2.353 -30.414) 30.530 19.995 ( 0.752 -4.273 12.393) 13.131 20.171 ( 1.188 -5.665 -3.847) 6.950 ======================= Grid point 552 (178/180) ======================= q-point: (-0.36 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -0.000 3.985 8.763) 9.627 1.520 ( -0.000 0.037 -8.760) 8.760 1.957 ( 0.000 -0.265 7.758) 7.762 2.105 ( 0.000 -0.963 -6.459) 6.531 2.965 ( -0.000 3.251 4.004) 5.157 3.005 ( -0.000 3.864 -0.250) 3.872 3.288 ( 0.000 -0.617 2.239) 2.322 3.347 ( 0.000 -0.313 -3.284) 3.299 3.925 ( 0.000 -2.005 28.217) 28.288 4.675 ( -0.000 0.542 -43.508) 43.512 5.231 ( 0.000 -0.099 27.591) 27.591 5.774 ( 0.000 -0.313 -24.756) 24.758 6.791 ( 0.000 -1.530 65.734) 65.752 7.814 ( 0.000 -0.089 31.663) 31.663 8.066 ( 0.000 -1.610 -58.271) 58.293 8.418 ( 0.000 -0.108 -27.067) 27.067 16.198 ( -0.000 1.915 11.502) 11.660 16.245 ( -0.000 3.558 10.833) 11.403 17.750 ( 0.000 -1.572 0.242) 1.590 17.768 ( 0.000 -2.811 -1.910) 3.399 18.198 ( -0.000 0.791 9.369) 9.403 18.641 ( -0.000 3.419 -29.891) 30.086 20.045 ( 0.000 -6.307 13.039) 14.484 20.238 ( 0.000 -8.426 -5.131) 9.866 ======================= Grid point 561 (179/180) ======================= q-point: (-0.55 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -9.342 0.000 5.464) 10.823 1.595 ( -8.022 0.000 -4.997) 9.451 1.957 ( -0.195 0.000 6.493) 6.496 2.094 ( 0.008 -0.000 -6.569) 6.569 2.949 ( 4.285 -0.000 3.764) 5.703 3.019 ( 3.889 -0.000 -3.230) 5.055 3.308 ( -2.348 0.000 2.736) 3.606 3.367 ( -2.072 0.000 -2.909) 3.572 3.906 ( -0.717 0.000 30.821) 30.829 4.683 ( -0.047 0.000 -43.950) 43.950 5.260 ( -3.116 0.000 26.707) 26.888 5.789 ( -1.872 0.000 -24.191) 24.264 6.769 ( 0.254 -0.000 65.431) 65.431 7.834 ( -2.178 0.000 31.616) 31.691 8.044 ( 0.177 -0.000 -58.292) 58.292 8.441 ( -2.550 0.000 -27.199) 27.318 16.218 ( 0.579 -0.000 12.170) 12.183 16.280 ( 1.178 -0.000 10.412) 10.478 17.730 ( -0.241 0.000 -1.007) 1.036 17.734 ( -0.295 0.000 -0.738) 0.795 18.206 ( 0.272 -0.000 10.169) 10.173 18.672 ( 1.347 -0.000 -31.196) 31.225 19.961 ( 0.544 -0.000 12.014) 12.026 20.126 ( 0.871 -0.000 -3.046) 3.169 ======================= Grid point 563 (180/180) ======================= q-point: (-0.45 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -0.000 1.751 6.423) 6.657 1.517 ( 0.000 -0.265 -6.192) 6.198 1.956 ( -0.000 0.019 6.712) 6.712 2.095 ( 0.000 -0.309 -6.655) 6.663 2.992 ( -0.000 0.737 3.845) 3.915 3.054 ( -0.000 1.805 -2.312) 2.933 3.281 ( 0.000 -0.214 2.213) 2.223 3.344 ( 0.000 -0.137 -3.529) 3.531 3.902 ( 0.000 -0.796 31.052) 31.062 4.681 ( -0.000 0.209 -44.032) 44.032 5.230 ( 0.000 -0.037 27.453) 27.453 5.771 ( 0.000 -0.117 -24.670) 24.670 6.774 ( 0.000 -0.572 65.474) 65.476 7.813 ( 0.000 -0.033 31.633) 31.633 8.048 ( 0.000 -0.607 -58.428) 58.432 8.416 ( 0.000 -0.040 -27.077) 27.077 16.221 ( -0.000 0.812 12.265) 12.292 16.285 ( -0.000 1.440 10.283) 10.383 17.731 ( 0.000 -0.712 -0.775) 1.053 17.736 ( 0.000 -1.157 -1.038) 1.555 18.207 ( -0.000 0.307 10.428) 10.433 18.679 ( -0.000 1.326 -31.441) 31.469 19.976 ( 0.000 -2.359 12.237) 12.462 20.146 ( 0.000 -3.161 -3.478) 4.699 =================== 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 3/26136 10.0 160.106 299.959 110.964 0.000 0.000 -0.000 3/26136 20.0 47.817 85.197 60.391 0.000 0.000 -0.000 3/26136 30.0 21.666 37.705 32.709 0.000 0.000 -0.000 3/26136 40.0 13.048 22.551 22.999 0.000 0.000 -0.000 3/26136 50.0 9.189 15.837 19.106 0.000 0.000 -0.000 3/26136 60.0 7.077 12.177 17.420 0.000 0.000 -0.000 3/26136 70.0 5.763 9.900 16.648 0.000 0.000 -0.000 3/26136 80.0 4.870 8.354 16.248 0.000 0.000 -0.000 3/26136 90.0 4.225 7.236 15.976 0.000 0.000 -0.000 3/26136 100.0 3.737 6.389 15.730 0.000 0.000 -0.000 3/26136 110.0 3.355 5.726 15.469 0.000 0.000 -0.000 3/26136 120.0 3.047 5.192 15.184 0.000 0.000 -0.000 3/26136 130.0 2.794 4.753 14.876 0.000 0.000 -0.000 3/26136 140.0 2.582 4.385 14.552 0.000 0.000 -0.000 3/26136 150.0 2.401 4.072 14.219 0.000 0.000 -0.000 3/26136 160.0 2.245 3.802 13.881 0.000 0.000 -0.000 3/26136 170.0 2.110 3.568 13.543 0.000 0.000 -0.000 3/26136 180.0 1.991 3.362 13.209 0.000 0.000 -0.000 3/26136 190.0 1.885 3.179 12.881 0.000 0.000 -0.000 3/26136 200.0 1.791 3.016 12.560 0.000 0.000 -0.000 3/26136 210.0 1.706 2.870 12.247 0.000 0.000 -0.000 3/26136 220.0 1.629 2.738 11.944 0.000 0.000 -0.000 3/26136 230.0 1.559 2.617 11.650 0.000 0.000 -0.000 3/26136 240.0 1.496 2.508 11.365 0.000 0.000 -0.000 3/26136 250.0 1.437 2.407 11.091 0.000 0.000 -0.000 3/26136 260.0 1.384 2.315 10.825 0.000 0.000 -0.000 3/26136 270.0 1.334 2.229 10.570 0.000 0.000 -0.000 3/26136 280.0 1.288 2.150 10.323 0.000 0.000 -0.000 3/26136 290.0 1.245 2.077 10.085 0.000 0.000 -0.000 3/26136 300.0 1.205 2.008 9.856 0.000 0.000 -0.000 3/26136 310.0 1.167 1.944 9.635 0.000 0.000 -0.000 3/26136 320.0 1.132 1.884 9.422 0.000 0.000 -0.000 3/26136 330.0 1.099 1.828 9.216 0.000 0.000 -0.000 3/26136 340.0 1.068 1.775 9.018 0.000 0.000 -0.000 3/26136 350.0 1.038 1.725 8.828 0.000 0.000 -0.000 3/26136 360.0 1.011 1.677 8.644 0.000 0.000 -0.000 3/26136 370.0 0.984 1.633 8.466 0.000 0.000 -0.000 3/26136 380.0 0.959 1.590 8.295 0.000 0.000 -0.000 3/26136 390.0 0.936 1.550 8.130 0.000 0.000 -0.000 3/26136 400.0 0.913 1.512 7.970 0.000 0.000 -0.000 3/26136 410.0 0.892 1.476 7.816 0.000 0.000 -0.000 3/26136 420.0 0.871 1.441 7.667 0.000 0.000 -0.000 3/26136 430.0 0.851 1.408 7.523 0.000 0.000 -0.000 3/26136 440.0 0.833 1.377 7.384 0.000 0.000 -0.000 3/26136 450.0 0.815 1.346 7.249 0.000 0.000 -0.000 3/26136 460.0 0.798 1.318 7.119 0.000 0.000 -0.000 3/26136 470.0 0.781 1.290 6.993 0.000 0.000 -0.000 3/26136 480.0 0.766 1.264 6.872 0.000 0.000 -0.000 3/26136 490.0 0.750 1.238 6.753 0.000 0.000 -0.000 3/26136 500.0 0.736 1.214 6.639 0.000 0.000 -0.000 3/26136 510.0 0.722 1.190 6.528 0.000 0.000 -0.000 3/26136 520.0 0.708 1.168 6.421 0.000 0.000 -0.000 3/26136 530.0 0.695 1.146 6.317 0.000 0.000 -0.000 3/26136 540.0 0.683 1.125 6.215 0.000 0.000 -0.000 3/26136 550.0 0.671 1.105 6.117 0.000 0.000 -0.000 3/26136 560.0 0.659 1.085 6.022 0.000 0.000 -0.000 3/26136 570.0 0.648 1.067 5.930 0.000 0.000 -0.000 3/26136 580.0 0.637 1.048 5.840 0.000 0.000 -0.000 3/26136 590.0 0.626 1.031 5.752 0.000 0.000 -0.000 3/26136 600.0 0.616 1.014 5.668 0.000 0.000 -0.000 3/26136 610.0 0.606 0.998 5.585 0.000 0.000 -0.000 3/26136 620.0 0.597 0.982 5.505 0.000 0.000 -0.000 3/26136 630.0 0.588 0.966 5.427 0.000 0.000 -0.000 3/26136 640.0 0.579 0.951 5.351 0.000 0.000 -0.000 3/26136 650.0 0.570 0.937 5.277 0.000 0.000 -0.000 3/26136 660.0 0.561 0.923 5.204 0.000 0.000 -0.000 3/26136 670.0 0.553 0.909 5.134 0.000 0.000 -0.000 3/26136 680.0 0.545 0.896 5.066 0.000 0.000 -0.000 3/26136 690.0 0.538 0.883 4.999 0.000 0.000 -0.000 3/26136 700.0 0.530 0.871 4.934 0.000 0.000 -0.000 3/26136 710.0 0.523 0.858 4.870 0.000 0.000 -0.000 3/26136 720.0 0.516 0.847 4.809 0.000 0.000 -0.000 3/26136 730.0 0.509 0.835 4.748 0.000 0.000 -0.000 3/26136 740.0 0.502 0.824 4.689 0.000 0.000 -0.000 3/26136 750.0 0.495 0.813 4.632 0.000 0.000 -0.000 3/26136 760.0 0.489 0.803 4.575 0.000 0.000 -0.000 3/26136 770.0 0.483 0.792 4.521 0.000 0.000 -0.000 3/26136 780.0 0.477 0.782 4.467 0.000 0.000 -0.000 3/26136 790.0 0.471 0.772 4.414 0.000 0.000 -0.000 3/26136 800.0 0.465 0.763 4.363 0.000 0.000 -0.000 3/26136 810.0 0.459 0.753 4.313 0.000 0.000 -0.000 3/26136 820.0 0.454 0.744 4.264 0.000 0.000 -0.000 3/26136 830.0 0.448 0.735 4.216 0.000 0.000 -0.000 3/26136 840.0 0.443 0.727 4.169 0.000 0.000 -0.000 3/26136 850.0 0.438 0.718 4.123 0.000 0.000 -0.000 3/26136 860.0 0.433 0.710 4.078 0.000 0.000 -0.000 3/26136 870.0 0.428 0.702 4.035 0.000 0.000 -0.000 3/26136 880.0 0.423 0.694 3.991 0.000 0.000 -0.000 3/26136 890.0 0.419 0.686 3.949 0.000 0.000 -0.000 3/26136 900.0 0.414 0.679 3.908 0.000 0.000 -0.000 3/26136 910.0 0.410 0.671 3.867 0.000 0.000 -0.000 3/26136 920.0 0.405 0.664 3.828 0.000 0.000 -0.000 3/26136 930.0 0.401 0.657 3.789 0.000 0.000 -0.000 3/26136 940.0 0.397 0.650 3.751 0.000 0.000 -0.000 3/26136 950.0 0.392 0.643 3.713 0.000 0.000 -0.000 3/26136 960.0 0.388 0.637 3.677 0.000 0.000 -0.000 3/26136 970.0 0.385 0.630 3.641 0.000 0.000 -0.000 3/26136 980.0 0.381 0.624 3.606 0.000 0.000 -0.000 3/26136 990.0 0.377 0.617 3.571 0.000 0.000 -0.000 3/26136 1000.0 0.373 0.611 3.537 0.000 0.000 -0.000 3/26136 Thermal conductivity related properties were written into "kappa-m11119.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:23:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|