----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:36:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.647174510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.427821400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.397912569999999 Atomic positions (fractional): *1 Zr 0.83031580866003 0.25000000000000 0.64369046784632 91.224 2 Zr 0.33031580866003 0.25000000000000 0.85630953215368 91.224 3 Zr 0.66968419133997 0.75000000000000 0.14369046784632 91.224 4 Zr 0.16968419133997 0.75000000000000 0.35630953215368 91.224 *5 O 0.11006852658479 0.25000000000000 0.60848721474475 15.999 *6 O 0.35736677299385 0.75000000000000 0.63026563149195 15.999 7 O 0.85736677299385 0.75000000000000 0.86973436850805 15.999 8 O 0.61006852658479 0.25000000000000 0.89151278525525 15.999 9 O 0.38993147341521 0.75000000000000 0.10848721474476 15.999 10 O 0.14263322700615 0.25000000000000 0.13026563149195 15.999 11 O 0.64263322700615 0.25000000000000 0.36973436850805 15.999 12 O 0.88993147341521 0.75000000000000 0.39151278525525 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.647174510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.427821400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.397912569999999 Atomic positions (fractional): *1 Zr 0.83031580866003 0.25000000000000 0.64369046784632 91.224 > 1 2 Zr 0.33031580866003 0.25000000000000 0.85630953215368 91.224 > 2 3 Zr 0.66968419133997 0.75000000000000 0.14369046784632 91.224 > 3 4 Zr 0.16968419133997 0.75000000000000 0.35630953215368 91.224 > 4 *5 O 0.11006852658479 0.25000000000000 0.60848721474475 15.999 > 5 *6 O 0.35736677299385 0.75000000000000 0.63026563149195 15.999 > 6 7 O 0.85736677299385 0.75000000000000 0.86973436850805 15.999 > 7 8 O 0.61006852658479 0.25000000000000 0.89151278525525 15.999 > 8 9 O 0.38993147341521 0.75000000000000 0.10848721474476 15.999 > 9 10 O 0.14263322700615 0.25000000000000 0.13026563149195 15.999 > 10 11 O 0.64263322700615 0.25000000000000 0.36973436850805 15.999 > 11 12 O 0.88993147341521 0.75000000000000 0.39151278525525 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.294349020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.283464200000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.795825139999998 Atomic positions (fractional): *1 Zr 0.41515790433002 0.08333333333333 0.32184523392316 91.224 > 1 2 Zr 0.91515790433002 0.08333333333333 0.32184523392316 91.224 > 1 3 Zr 0.41515790433002 0.41666666666667 0.32184523392316 91.224 > 1 4 Zr 0.91515790433002 0.41666666666667 0.32184523392316 91.224 > 1 5 Zr 0.41515790433002 0.75000000000000 0.32184523392316 91.224 > 1 6 Zr 0.91515790433002 0.75000000000000 0.32184523392316 91.224 > 1 7 Zr 0.41515790433002 0.08333333333333 0.82184523392316 91.224 > 1 8 Zr 0.91515790433002 0.08333333333333 0.82184523392316 91.224 > 1 9 Zr 0.41515790433002 0.41666666666667 0.82184523392316 91.224 > 1 10 Zr 0.91515790433002 0.41666666666667 0.82184523392316 91.224 > 1 11 Zr 0.41515790433002 0.75000000000000 0.82184523392316 91.224 > 1 12 Zr 0.91515790433002 0.75000000000000 0.82184523392316 91.224 > 1 13 Zr 0.16515790433002 0.08333333333333 0.42815476607684 91.224 > 2 14 Zr 0.66515790433002 0.08333333333333 0.42815476607684 91.224 > 2 15 Zr 0.16515790433002 0.41666666666667 0.42815476607684 91.224 > 2 16 Zr 0.66515790433002 0.41666666666667 0.42815476607684 91.224 > 2 17 Zr 0.16515790433002 0.75000000000000 0.42815476607684 91.224 > 2 18 Zr 0.66515790433002 0.75000000000000 0.42815476607684 91.224 > 2 19 Zr 0.16515790433002 0.08333333333333 0.92815476607684 91.224 > 2 20 Zr 0.66515790433002 0.08333333333333 0.92815476607684 91.224 > 2 21 Zr 0.16515790433002 0.41666666666667 0.92815476607684 91.224 > 2 22 Zr 0.66515790433002 0.41666666666667 0.92815476607684 91.224 > 2 23 Zr 0.16515790433002 0.75000000000000 0.92815476607684 91.224 > 2 24 Zr 0.66515790433002 0.75000000000000 0.92815476607684 91.224 > 2 25 Zr 0.33484209566998 0.25000000000000 0.07184523392316 91.224 > 3 26 Zr 0.83484209566998 0.25000000000000 0.07184523392316 91.224 > 3 27 Zr 0.33484209566998 0.58333333333333 0.07184523392316 91.224 > 3 28 Zr 0.83484209566998 0.58333333333333 0.07184523392316 91.224 > 3 29 Zr 0.33484209566998 0.91666666666667 0.07184523392316 91.224 > 3 30 Zr 0.83484209566998 0.91666666666667 0.07184523392316 91.224 > 3 31 Zr 0.33484209566998 0.25000000000000 0.57184523392316 91.224 > 3 32 Zr 0.83484209566998 0.25000000000000 0.57184523392316 91.224 > 3 33 Zr 0.33484209566998 0.58333333333333 0.57184523392316 91.224 > 3 34 Zr 0.83484209566998 0.58333333333333 0.57184523392316 91.224 > 3 35 Zr 0.33484209566998 0.91666666666667 0.57184523392316 91.224 > 3 36 Zr 0.83484209566998 0.91666666666667 0.57184523392316 91.224 > 3 37 Zr 0.08484209566998 0.25000000000000 0.17815476607684 91.224 > 4 38 Zr 0.58484209566998 0.25000000000000 0.17815476607684 91.224 > 4 39 Zr 0.08484209566998 0.58333333333333 0.17815476607684 91.224 > 4 40 Zr 0.58484209566998 0.58333333333333 0.17815476607684 91.224 > 4 41 Zr 0.08484209566998 0.91666666666667 0.17815476607684 91.224 > 4 42 Zr 0.58484209566998 0.91666666666667 0.17815476607684 91.224 > 4 43 Zr 0.08484209566998 0.25000000000000 0.67815476607684 91.224 > 4 44 Zr 0.58484209566998 0.25000000000000 0.67815476607684 91.224 > 4 45 Zr 0.08484209566998 0.58333333333333 0.67815476607684 91.224 > 4 46 Zr 0.58484209566998 0.58333333333333 0.67815476607684 91.224 > 4 47 Zr 0.08484209566998 0.91666666666667 0.67815476607684 91.224 > 4 48 Zr 0.58484209566998 0.91666666666667 0.67815476607684 91.224 > 4 *49 O 0.05503426329240 0.08333333333333 0.30424360737238 15.999 > 5 50 O 0.55503426329240 0.08333333333333 0.30424360737238 15.999 > 5 51 O 0.05503426329240 0.41666666666667 0.30424360737238 15.999 > 5 52 O 0.55503426329240 0.41666666666667 0.30424360737238 15.999 > 5 53 O 0.05503426329240 0.75000000000000 0.30424360737238 15.999 > 5 54 O 0.55503426329240 0.75000000000000 0.30424360737238 15.999 > 5 55 O 0.05503426329240 0.08333333333333 0.80424360737238 15.999 > 5 56 O 0.55503426329240 0.08333333333333 0.80424360737238 15.999 > 5 57 O 0.05503426329240 0.41666666666667 0.80424360737238 15.999 > 5 58 O 0.55503426329240 0.41666666666667 0.80424360737238 15.999 > 5 59 O 0.05503426329240 0.75000000000000 0.80424360737238 15.999 > 5 60 O 0.55503426329240 0.75000000000000 0.80424360737238 15.999 > 5 *61 O 0.17868338649692 0.25000000000000 0.31513281574597 15.999 > 6 62 O 0.67868338649692 0.25000000000000 0.31513281574597 15.999 > 6 63 O 0.17868338649692 0.58333333333333 0.31513281574597 15.999 > 6 64 O 0.67868338649692 0.58333333333333 0.31513281574597 15.999 > 6 65 O 0.17868338649692 0.91666666666667 0.31513281574597 15.999 > 6 66 O 0.67868338649692 0.91666666666667 0.31513281574597 15.999 > 6 67 O 0.17868338649692 0.25000000000000 0.81513281574597 15.999 > 6 68 O 0.67868338649692 0.25000000000000 0.81513281574597 15.999 > 6 69 O 0.17868338649692 0.58333333333333 0.81513281574597 15.999 > 6 70 O 0.67868338649692 0.58333333333333 0.81513281574597 15.999 > 6 71 O 0.17868338649692 0.91666666666667 0.81513281574597 15.999 > 6 72 O 0.67868338649692 0.91666666666667 0.81513281574597 15.999 > 6 73 O 0.42868338649692 0.25000000000000 0.43486718425403 15.999 > 7 74 O 0.92868338649692 0.25000000000000 0.43486718425403 15.999 > 7 75 O 0.42868338649692 0.58333333333333 0.43486718425403 15.999 > 7 76 O 0.92868338649692 0.58333333333333 0.43486718425403 15.999 > 7 77 O 0.42868338649692 0.91666666666667 0.43486718425403 15.999 > 7 78 O 0.92868338649692 0.91666666666667 0.43486718425403 15.999 > 7 79 O 0.42868338649692 0.25000000000000 0.93486718425403 15.999 > 7 80 O 0.92868338649692 0.25000000000000 0.93486718425403 15.999 > 7 81 O 0.42868338649692 0.58333333333333 0.93486718425403 15.999 > 7 82 O 0.92868338649692 0.58333333333333 0.93486718425403 15.999 > 7 83 O 0.42868338649692 0.91666666666667 0.93486718425403 15.999 > 7 84 O 0.92868338649692 0.91666666666667 0.93486718425403 15.999 > 7 85 O 0.30503426329240 0.08333333333333 0.44575639262762 15.999 > 8 86 O 0.80503426329240 0.08333333333333 0.44575639262762 15.999 > 8 87 O 0.30503426329240 0.41666666666667 0.44575639262762 15.999 > 8 88 O 0.80503426329240 0.41666666666667 0.44575639262762 15.999 > 8 89 O 0.30503426329240 0.75000000000000 0.44575639262762 15.999 > 8 90 O 0.80503426329240 0.75000000000000 0.44575639262762 15.999 > 8 91 O 0.30503426329240 0.08333333333333 0.94575639262762 15.999 > 8 92 O 0.80503426329240 0.08333333333333 0.94575639262762 15.999 > 8 93 O 0.30503426329240 0.41666666666667 0.94575639262762 15.999 > 8 94 O 0.80503426329240 0.41666666666667 0.94575639262762 15.999 > 8 95 O 0.30503426329240 0.75000000000000 0.94575639262762 15.999 > 8 96 O 0.80503426329240 0.75000000000000 0.94575639262762 15.999 > 8 97 O 0.19496573670760 0.25000000000000 0.05424360737238 15.999 > 9 98 O 0.69496573670760 0.25000000000000 0.05424360737238 15.999 > 9 99 O 0.19496573670760 0.58333333333333 0.05424360737238 15.999 > 9 100 O 0.69496573670760 0.58333333333333 0.05424360737238 15.999 > 9 101 O 0.19496573670760 0.91666666666667 0.05424360737238 15.999 > 9 102 O 0.69496573670760 0.91666666666667 0.05424360737238 15.999 > 9 103 O 0.19496573670760 0.25000000000000 0.55424360737238 15.999 > 9 104 O 0.69496573670760 0.25000000000000 0.55424360737238 15.999 > 9 105 O 0.19496573670760 0.58333333333333 0.55424360737238 15.999 > 9 106 O 0.69496573670760 0.58333333333333 0.55424360737238 15.999 > 9 107 O 0.19496573670760 0.91666666666667 0.55424360737238 15.999 > 9 108 O 0.69496573670760 0.91666666666667 0.55424360737238 15.999 > 9 109 O 0.07131661350308 0.08333333333333 0.06513281574597 15.999 > 10 110 O 0.57131661350308 0.08333333333333 0.06513281574597 15.999 > 10 111 O 0.07131661350308 0.41666666666667 0.06513281574597 15.999 > 10 112 O 0.57131661350308 0.41666666666667 0.06513281574597 15.999 > 10 113 O 0.07131661350308 0.75000000000000 0.06513281574597 15.999 > 10 114 O 0.57131661350308 0.75000000000000 0.06513281574597 15.999 > 10 115 O 0.07131661350308 0.08333333333333 0.56513281574597 15.999 > 10 116 O 0.57131661350308 0.08333333333333 0.56513281574597 15.999 > 10 117 O 0.07131661350308 0.41666666666667 0.56513281574597 15.999 > 10 118 O 0.57131661350308 0.41666666666667 0.56513281574597 15.999 > 10 119 O 0.07131661350308 0.75000000000000 0.56513281574597 15.999 > 10 120 O 0.57131661350308 0.75000000000000 0.56513281574597 15.999 > 10 121 O 0.32131661350308 0.08333333333333 0.18486718425403 15.999 > 11 122 O 0.82131661350308 0.08333333333333 0.18486718425403 15.999 > 11 123 O 0.32131661350308 0.41666666666667 0.18486718425403 15.999 > 11 124 O 0.82131661350308 0.41666666666667 0.18486718425403 15.999 > 11 125 O 0.32131661350308 0.75000000000000 0.18486718425403 15.999 > 11 126 O 0.82131661350308 0.75000000000000 0.18486718425403 15.999 > 11 127 O 0.32131661350308 0.08333333333333 0.68486718425403 15.999 > 11 128 O 0.82131661350308 0.08333333333333 0.68486718425403 15.999 > 11 129 O 0.32131661350308 0.41666666666667 0.68486718425403 15.999 > 11 130 O 0.82131661350308 0.41666666666667 0.68486718425403 15.999 > 11 131 O 0.32131661350308 0.75000000000000 0.68486718425403 15.999 > 11 132 O 0.82131661350308 0.75000000000000 0.68486718425403 15.999 > 11 133 O 0.44496573670760 0.25000000000000 0.19575639262762 15.999 > 12 134 O 0.94496573670760 0.25000000000000 0.19575639262762 15.999 > 12 135 O 0.44496573670760 0.58333333333333 0.19575639262762 15.999 > 12 136 O 0.94496573670760 0.58333333333333 0.19575639262762 15.999 > 12 137 O 0.44496573670760 0.91666666666667 0.19575639262762 15.999 > 12 138 O 0.94496573670760 0.91666666666667 0.19575639262762 15.999 > 12 139 O 0.44496573670760 0.25000000000000 0.69575639262762 15.999 > 12 140 O 0.94496573670760 0.25000000000000 0.69575639262762 15.999 > 12 141 O 0.44496573670760 0.58333333333333 0.69575639262762 15.999 > 12 142 O 0.94496573670760 0.58333333333333 0.69575639262762 15.999 > 12 143 O 0.44496573670760 0.91666666666667 0.69575639262762 15.999 > 12 144 O 0.94496573670760 0.91666666666667 0.69575639262762 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8385299 0.0000000 0.0000000 0.0000000 5.2669863 0.0000000 0.0000000 0.0000000 5.1566676 -------------------------- Born effective charges -------------------------- 1 Zr 4.7583710 0.0000000 -0.9317028 0.0000000 5.3585780 0.0000000 0.0049789 0.0000000 5.1264530 2 Zr 4.7583710 0.0000000 0.9317028 0.0000000 5.3585780 0.0000000 -0.0049789 0.0000000 5.1264530 3 Zr 4.7583710 0.0000000 0.9317028 0.0000000 5.3585780 0.0000000 -0.0049789 0.0000000 5.1264530 4 Zr 4.7583710 0.0000000 -0.9317028 0.0000000 5.3585780 0.0000000 0.0049789 0.0000000 5.1264530 5 O -3.1492309 0.0000000 -0.1857922 0.0000000 -2.4199117 0.0000000 -0.3523782 0.0000000 -2.1961558 6 O -1.6091401 0.0000000 -0.7355152 0.0000000 -2.9386663 0.0000000 -0.7903916 0.0000000 -2.9302971 7 O -1.6091401 0.0000000 0.7355152 0.0000000 -2.9386663 0.0000000 0.7903916 0.0000000 -2.9302971 8 O -3.1492309 0.0000000 0.1857922 0.0000000 -2.4199117 0.0000000 0.3523782 0.0000000 -2.1961558 9 O -3.1492309 0.0000000 0.1857922 0.0000000 -2.4199117 0.0000000 0.3523782 0.0000000 -2.1961558 10 O -1.6091401 0.0000000 0.7355152 0.0000000 -2.9386663 0.0000000 0.7903916 0.0000000 -2.9302971 11 O -1.6091401 0.0000000 -0.7355152 0.0000000 -2.9386663 0.0000000 -0.7903916 0.0000000 -2.9302971 12 O -3.1492309 0.0000000 -0.1857922 0.0000000 -2.4199117 0.0000000 -0.3523782 0.0000000 -2.1961558 ---------------------------------------------------------------------------- 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: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 1.580 Solver_block: 200 / 240 - Time: 1.557 Solver_block: 240 / 240 - Time: 0.702 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.865 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:36:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:36:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.647174510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.427821400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.397912569999999 Atomic positions (fractional): 1 Zr 0.83031580866003 0.25000000000000 0.64369046784632 91.224 2 Zr 0.33031580866003 0.25000000000000 0.85630953215368 91.224 3 Zr 0.66968419133997 0.75000000000000 0.14369046784632 91.224 4 Zr 0.16968419133997 0.75000000000000 0.35630953215368 91.224 5 O 0.11006852658479 0.25000000000000 0.60848721474475 15.999 6 O 0.35736677299385 0.75000000000000 0.63026563149195 15.999 7 O 0.85736677299385 0.75000000000000 0.86973436850805 15.999 8 O 0.61006852658479 0.25000000000000 0.89151278525525 15.999 9 O 0.38993147341521 0.75000000000000 0.10848721474476 15.999 10 O 0.14263322700615 0.25000000000000 0.13026563149195 15.999 11 O 0.64263322700615 0.25000000000000 0.36973436850805 15.999 12 O 0.88993147341521 0.75000000000000 0.39151278525525 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.294349020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.283464200000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.795825139999998 Atomic positions (fractional): 1 Zr 0.41515790433002 0.08333333333333 0.32184523392316 91.224 > 1 2 Zr 0.91515790433002 0.08333333333333 0.32184523392316 91.224 > 1 3 Zr 0.41515790433002 0.41666666666667 0.32184523392316 91.224 > 1 4 Zr 0.91515790433002 0.41666666666667 0.32184523392316 91.224 > 1 5 Zr 0.41515790433002 0.75000000000000 0.32184523392316 91.224 > 1 6 Zr 0.91515790433002 0.75000000000000 0.32184523392316 91.224 > 1 7 Zr 0.41515790433002 0.08333333333333 0.82184523392316 91.224 > 1 8 Zr 0.91515790433002 0.08333333333333 0.82184523392316 91.224 > 1 9 Zr 0.41515790433002 0.41666666666667 0.82184523392316 91.224 > 1 10 Zr 0.91515790433002 0.41666666666667 0.82184523392316 91.224 > 1 11 Zr 0.41515790433002 0.75000000000000 0.82184523392316 91.224 > 1 12 Zr 0.91515790433002 0.75000000000000 0.82184523392316 91.224 > 1 13 Zr 0.16515790433002 0.08333333333333 0.42815476607684 91.224 > 13 14 Zr 0.66515790433002 0.08333333333333 0.42815476607684 91.224 > 13 15 Zr 0.16515790433002 0.41666666666667 0.42815476607684 91.224 > 13 16 Zr 0.66515790433002 0.41666666666667 0.42815476607684 91.224 > 13 17 Zr 0.16515790433002 0.75000000000000 0.42815476607684 91.224 > 13 18 Zr 0.66515790433002 0.75000000000000 0.42815476607684 91.224 > 13 19 Zr 0.16515790433002 0.08333333333333 0.92815476607684 91.224 > 13 20 Zr 0.66515790433002 0.08333333333333 0.92815476607684 91.224 > 13 21 Zr 0.16515790433002 0.41666666666667 0.92815476607684 91.224 > 13 22 Zr 0.66515790433002 0.41666666666667 0.92815476607684 91.224 > 13 23 Zr 0.16515790433002 0.75000000000000 0.92815476607684 91.224 > 13 24 Zr 0.66515790433002 0.75000000000000 0.92815476607684 91.224 > 13 25 Zr 0.33484209566998 0.25000000000000 0.07184523392316 91.224 > 25 26 Zr 0.83484209566998 0.25000000000000 0.07184523392316 91.224 > 25 27 Zr 0.33484209566998 0.58333333333333 0.07184523392316 91.224 > 25 28 Zr 0.83484209566998 0.58333333333333 0.07184523392316 91.224 > 25 29 Zr 0.33484209566998 0.91666666666667 0.07184523392316 91.224 > 25 30 Zr 0.83484209566998 0.91666666666667 0.07184523392316 91.224 > 25 31 Zr 0.33484209566998 0.25000000000000 0.57184523392316 91.224 > 25 32 Zr 0.83484209566998 0.25000000000000 0.57184523392316 91.224 > 25 33 Zr 0.33484209566998 0.58333333333333 0.57184523392316 91.224 > 25 34 Zr 0.83484209566998 0.58333333333333 0.57184523392316 91.224 > 25 35 Zr 0.33484209566998 0.91666666666667 0.57184523392316 91.224 > 25 36 Zr 0.83484209566998 0.91666666666667 0.57184523392316 91.224 > 25 37 Zr 0.08484209566998 0.25000000000000 0.17815476607684 91.224 > 37 38 Zr 0.58484209566998 0.25000000000000 0.17815476607684 91.224 > 37 39 Zr 0.08484209566998 0.58333333333333 0.17815476607684 91.224 > 37 40 Zr 0.58484209566998 0.58333333333333 0.17815476607684 91.224 > 37 41 Zr 0.08484209566998 0.91666666666667 0.17815476607684 91.224 > 37 42 Zr 0.58484209566998 0.91666666666667 0.17815476607684 91.224 > 37 43 Zr 0.08484209566998 0.25000000000000 0.67815476607684 91.224 > 37 44 Zr 0.58484209566998 0.25000000000000 0.67815476607684 91.224 > 37 45 Zr 0.08484209566998 0.58333333333333 0.67815476607684 91.224 > 37 46 Zr 0.58484209566998 0.58333333333333 0.67815476607684 91.224 > 37 47 Zr 0.08484209566998 0.91666666666667 0.67815476607684 91.224 > 37 48 Zr 0.58484209566998 0.91666666666667 0.67815476607684 91.224 > 37 49 O 0.05503426329240 0.08333333333333 0.30424360737238 15.999 > 49 50 O 0.55503426329240 0.08333333333333 0.30424360737238 15.999 > 49 51 O 0.05503426329240 0.41666666666667 0.30424360737238 15.999 > 49 52 O 0.55503426329240 0.41666666666667 0.30424360737238 15.999 > 49 53 O 0.05503426329240 0.75000000000000 0.30424360737238 15.999 > 49 54 O 0.55503426329240 0.75000000000000 0.30424360737238 15.999 > 49 55 O 0.05503426329240 0.08333333333333 0.80424360737238 15.999 > 49 56 O 0.55503426329240 0.08333333333333 0.80424360737238 15.999 > 49 57 O 0.05503426329240 0.41666666666667 0.80424360737238 15.999 > 49 58 O 0.55503426329240 0.41666666666667 0.80424360737238 15.999 > 49 59 O 0.05503426329240 0.75000000000000 0.80424360737238 15.999 > 49 60 O 0.55503426329240 0.75000000000000 0.80424360737238 15.999 > 49 61 O 0.17868338649692 0.25000000000000 0.31513281574597 15.999 > 61 62 O 0.67868338649692 0.25000000000000 0.31513281574597 15.999 > 61 63 O 0.17868338649692 0.58333333333333 0.31513281574597 15.999 > 61 64 O 0.67868338649692 0.58333333333333 0.31513281574597 15.999 > 61 65 O 0.17868338649692 0.91666666666667 0.31513281574597 15.999 > 61 66 O 0.67868338649692 0.91666666666667 0.31513281574597 15.999 > 61 67 O 0.17868338649692 0.25000000000000 0.81513281574597 15.999 > 61 68 O 0.67868338649692 0.25000000000000 0.81513281574597 15.999 > 61 69 O 0.17868338649692 0.58333333333333 0.81513281574597 15.999 > 61 70 O 0.67868338649692 0.58333333333333 0.81513281574597 15.999 > 61 71 O 0.17868338649692 0.91666666666667 0.81513281574597 15.999 > 61 72 O 0.67868338649692 0.91666666666667 0.81513281574597 15.999 > 61 73 O 0.42868338649692 0.25000000000000 0.43486718425403 15.999 > 73 74 O 0.92868338649692 0.25000000000000 0.43486718425403 15.999 > 73 75 O 0.42868338649692 0.58333333333333 0.43486718425403 15.999 > 73 76 O 0.92868338649692 0.58333333333333 0.43486718425403 15.999 > 73 77 O 0.42868338649692 0.91666666666667 0.43486718425403 15.999 > 73 78 O 0.92868338649692 0.91666666666667 0.43486718425403 15.999 > 73 79 O 0.42868338649692 0.25000000000000 0.93486718425403 15.999 > 73 80 O 0.92868338649692 0.25000000000000 0.93486718425403 15.999 > 73 81 O 0.42868338649692 0.58333333333333 0.93486718425403 15.999 > 73 82 O 0.92868338649692 0.58333333333333 0.93486718425403 15.999 > 73 83 O 0.42868338649692 0.91666666666667 0.93486718425403 15.999 > 73 84 O 0.92868338649692 0.91666666666667 0.93486718425403 15.999 > 73 85 O 0.30503426329240 0.08333333333333 0.44575639262762 15.999 > 85 86 O 0.80503426329240 0.08333333333333 0.44575639262762 15.999 > 85 87 O 0.30503426329240 0.41666666666667 0.44575639262762 15.999 > 85 88 O 0.80503426329240 0.41666666666667 0.44575639262762 15.999 > 85 89 O 0.30503426329240 0.75000000000000 0.44575639262762 15.999 > 85 90 O 0.80503426329240 0.75000000000000 0.44575639262762 15.999 > 85 91 O 0.30503426329240 0.08333333333333 0.94575639262762 15.999 > 85 92 O 0.80503426329240 0.08333333333333 0.94575639262762 15.999 > 85 93 O 0.30503426329240 0.41666666666667 0.94575639262762 15.999 > 85 94 O 0.80503426329240 0.41666666666667 0.94575639262762 15.999 > 85 95 O 0.30503426329240 0.75000000000000 0.94575639262762 15.999 > 85 96 O 0.80503426329240 0.75000000000000 0.94575639262762 15.999 > 85 97 O 0.19496573670760 0.25000000000000 0.05424360737238 15.999 > 97 98 O 0.69496573670760 0.25000000000000 0.05424360737238 15.999 > 97 99 O 0.19496573670760 0.58333333333333 0.05424360737238 15.999 > 97 100 O 0.69496573670760 0.58333333333333 0.05424360737238 15.999 > 97 101 O 0.19496573670760 0.91666666666667 0.05424360737238 15.999 > 97 102 O 0.69496573670760 0.91666666666667 0.05424360737238 15.999 > 97 103 O 0.19496573670760 0.25000000000000 0.55424360737238 15.999 > 97 104 O 0.69496573670760 0.25000000000000 0.55424360737238 15.999 > 97 105 O 0.19496573670760 0.58333333333333 0.55424360737238 15.999 > 97 106 O 0.69496573670760 0.58333333333333 0.55424360737238 15.999 > 97 107 O 0.19496573670760 0.91666666666667 0.55424360737238 15.999 > 97 108 O 0.69496573670760 0.91666666666667 0.55424360737238 15.999 > 97 109 O 0.07131661350308 0.08333333333333 0.06513281574597 15.999 > 109 110 O 0.57131661350308 0.08333333333333 0.06513281574597 15.999 > 109 111 O 0.07131661350308 0.41666666666667 0.06513281574597 15.999 > 109 112 O 0.57131661350308 0.41666666666667 0.06513281574597 15.999 > 109 113 O 0.07131661350308 0.75000000000000 0.06513281574597 15.999 > 109 114 O 0.57131661350308 0.75000000000000 0.06513281574597 15.999 > 109 115 O 0.07131661350308 0.08333333333333 0.56513281574597 15.999 > 109 116 O 0.57131661350308 0.08333333333333 0.56513281574597 15.999 > 109 117 O 0.07131661350308 0.41666666666667 0.56513281574597 15.999 > 109 118 O 0.57131661350308 0.41666666666667 0.56513281574597 15.999 > 109 119 O 0.07131661350308 0.75000000000000 0.56513281574597 15.999 > 109 120 O 0.57131661350308 0.75000000000000 0.56513281574597 15.999 > 109 121 O 0.32131661350308 0.08333333333333 0.18486718425403 15.999 > 121 122 O 0.82131661350308 0.08333333333333 0.18486718425403 15.999 > 121 123 O 0.32131661350308 0.41666666666667 0.18486718425403 15.999 > 121 124 O 0.82131661350308 0.41666666666667 0.18486718425403 15.999 > 121 125 O 0.32131661350308 0.75000000000000 0.18486718425403 15.999 > 121 126 O 0.82131661350308 0.75000000000000 0.18486718425403 15.999 > 121 127 O 0.32131661350308 0.08333333333333 0.68486718425403 15.999 > 121 128 O 0.82131661350308 0.08333333333333 0.68486718425403 15.999 > 121 129 O 0.32131661350308 0.41666666666667 0.68486718425403 15.999 > 121 130 O 0.82131661350308 0.41666666666667 0.68486718425403 15.999 > 121 131 O 0.32131661350308 0.75000000000000 0.68486718425403 15.999 > 121 132 O 0.82131661350308 0.75000000000000 0.68486718425403 15.999 > 121 133 O 0.44496573670760 0.25000000000000 0.19575639262762 15.999 > 133 134 O 0.94496573670760 0.25000000000000 0.19575639262762 15.999 > 133 135 O 0.44496573670760 0.58333333333333 0.19575639262762 15.999 > 133 136 O 0.94496573670760 0.58333333333333 0.19575639262762 15.999 > 133 137 O 0.44496573670760 0.91666666666667 0.19575639262762 15.999 > 133 138 O 0.94496573670760 0.91666666666667 0.19575639262762 15.999 > 133 139 O 0.44496573670760 0.25000000000000 0.69575639262762 15.999 > 133 140 O 0.94496573670760 0.25000000000000 0.69575639262762 15.999 > 133 141 O 0.44496573670760 0.58333333333333 0.69575639262762 15.999 > 133 142 O 0.94496573670760 0.58333333333333 0.69575639262762 15.999 > 133 143 O 0.44496573670760 0.91666666666667 0.69575639262762 15.999 > 133 144 O 0.94496573670760 0.91666666666667 0.69575639262762 15.999 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8385299 0.0000000 0.0000000 0.0000000 5.2669863 0.0000000 0.0000000 0.0000000 5.1566676 -------------------------- Born effective charges -------------------------- 1 Zr 4.7583710 0.0000000 -0.9317028 0.0000000 5.3585780 0.0000000 0.0049789 0.0000000 5.1264530 2 Zr 4.7583710 0.0000000 0.9317028 0.0000000 5.3585780 0.0000000 -0.0049789 0.0000000 5.1264530 3 Zr 4.7583710 0.0000000 0.9317028 0.0000000 5.3585780 0.0000000 -0.0049789 0.0000000 5.1264530 4 Zr 4.7583710 0.0000000 -0.9317028 0.0000000 5.3585780 0.0000000 0.0049789 0.0000000 5.1264530 5 O -3.1492309 0.0000000 -0.1857922 0.0000000 -2.4199117 0.0000000 -0.3523782 0.0000000 -2.1961558 6 O -1.6091401 0.0000000 -0.7355152 0.0000000 -2.9386663 0.0000000 -0.7903916 0.0000000 -2.9302971 7 O -1.6091401 0.0000000 0.7355152 0.0000000 -2.9386663 0.0000000 0.7903916 0.0000000 -2.9302971 8 O -3.1492309 0.0000000 0.1857922 0.0000000 -2.4199117 0.0000000 0.3523782 0.0000000 -2.1961558 9 O -3.1492309 0.0000000 0.1857922 0.0000000 -2.4199117 0.0000000 0.3523782 0.0000000 -2.1961558 10 O -1.6091401 0.0000000 0.7355152 0.0000000 -2.9386663 0.0000000 0.7903916 0.0000000 -2.9302971 11 O -1.6091401 0.0000000 -0.7355152 0.0000000 -2.9386663 0.0000000 -0.7903916 0.0000000 -2.9302971 12 O -3.1492309 0.0000000 -0.1857922 0.0000000 -2.4199117 0.0000000 -0.3523782 0.0000000 -2.1961558 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, 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: 0.00000002 (yxy) 0.00000002 (yxy) 0.00000002 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:37:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:37:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.647174510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.427821400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.397912569999999 Atomic positions (fractional): 1 Zr 0.83031580866003 0.25000000000000 0.64369046784632 91.224 2 Zr 0.33031580866003 0.25000000000000 0.85630953215368 91.224 3 Zr 0.66968419133997 0.75000000000000 0.14369046784632 91.224 4 Zr 0.16968419133997 0.75000000000000 0.35630953215368 91.224 5 O 0.11006852658479 0.25000000000000 0.60848721474475 15.999 6 O 0.35736677299385 0.75000000000000 0.63026563149195 15.999 7 O 0.85736677299385 0.75000000000000 0.86973436850805 15.999 8 O 0.61006852658479 0.25000000000000 0.89151278525525 15.999 9 O 0.38993147341521 0.75000000000000 0.10848721474476 15.999 10 O 0.14263322700615 0.25000000000000 0.13026563149195 15.999 11 O 0.64263322700615 0.25000000000000 0.36973436850805 15.999 12 O 0.88993147341521 0.75000000000000 0.39151278525525 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.294349020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.283464200000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.795825139999998 Atomic positions (fractional): 1 Zr 0.41515790433002 0.08333333333333 0.32184523392316 91.224 > 1 2 Zr 0.91515790433002 0.08333333333333 0.32184523392316 91.224 > 1 3 Zr 0.41515790433002 0.41666666666667 0.32184523392316 91.224 > 1 4 Zr 0.91515790433002 0.41666666666667 0.32184523392316 91.224 > 1 5 Zr 0.41515790433002 0.75000000000000 0.32184523392316 91.224 > 1 6 Zr 0.91515790433002 0.75000000000000 0.32184523392316 91.224 > 1 7 Zr 0.41515790433002 0.08333333333333 0.82184523392316 91.224 > 1 8 Zr 0.91515790433002 0.08333333333333 0.82184523392316 91.224 > 1 9 Zr 0.41515790433002 0.41666666666667 0.82184523392316 91.224 > 1 10 Zr 0.91515790433002 0.41666666666667 0.82184523392316 91.224 > 1 11 Zr 0.41515790433002 0.75000000000000 0.82184523392316 91.224 > 1 12 Zr 0.91515790433002 0.75000000000000 0.82184523392316 91.224 > 1 13 Zr 0.16515790433002 0.08333333333333 0.42815476607684 91.224 > 13 14 Zr 0.66515790433002 0.08333333333333 0.42815476607684 91.224 > 13 15 Zr 0.16515790433002 0.41666666666667 0.42815476607684 91.224 > 13 16 Zr 0.66515790433002 0.41666666666667 0.42815476607684 91.224 > 13 17 Zr 0.16515790433002 0.75000000000000 0.42815476607684 91.224 > 13 18 Zr 0.66515790433002 0.75000000000000 0.42815476607684 91.224 > 13 19 Zr 0.16515790433002 0.08333333333333 0.92815476607684 91.224 > 13 20 Zr 0.66515790433002 0.08333333333333 0.92815476607684 91.224 > 13 21 Zr 0.16515790433002 0.41666666666667 0.92815476607684 91.224 > 13 22 Zr 0.66515790433002 0.41666666666667 0.92815476607684 91.224 > 13 23 Zr 0.16515790433002 0.75000000000000 0.92815476607684 91.224 > 13 24 Zr 0.66515790433002 0.75000000000000 0.92815476607684 91.224 > 13 25 Zr 0.33484209566998 0.25000000000000 0.07184523392316 91.224 > 25 26 Zr 0.83484209566998 0.25000000000000 0.07184523392316 91.224 > 25 27 Zr 0.33484209566998 0.58333333333333 0.07184523392316 91.224 > 25 28 Zr 0.83484209566998 0.58333333333333 0.07184523392316 91.224 > 25 29 Zr 0.33484209566998 0.91666666666667 0.07184523392316 91.224 > 25 30 Zr 0.83484209566998 0.91666666666667 0.07184523392316 91.224 > 25 31 Zr 0.33484209566998 0.25000000000000 0.57184523392316 91.224 > 25 32 Zr 0.83484209566998 0.25000000000000 0.57184523392316 91.224 > 25 33 Zr 0.33484209566998 0.58333333333333 0.57184523392316 91.224 > 25 34 Zr 0.83484209566998 0.58333333333333 0.57184523392316 91.224 > 25 35 Zr 0.33484209566998 0.91666666666667 0.57184523392316 91.224 > 25 36 Zr 0.83484209566998 0.91666666666667 0.57184523392316 91.224 > 25 37 Zr 0.08484209566998 0.25000000000000 0.17815476607684 91.224 > 37 38 Zr 0.58484209566998 0.25000000000000 0.17815476607684 91.224 > 37 39 Zr 0.08484209566998 0.58333333333333 0.17815476607684 91.224 > 37 40 Zr 0.58484209566998 0.58333333333333 0.17815476607684 91.224 > 37 41 Zr 0.08484209566998 0.91666666666667 0.17815476607684 91.224 > 37 42 Zr 0.58484209566998 0.91666666666667 0.17815476607684 91.224 > 37 43 Zr 0.08484209566998 0.25000000000000 0.67815476607684 91.224 > 37 44 Zr 0.58484209566998 0.25000000000000 0.67815476607684 91.224 > 37 45 Zr 0.08484209566998 0.58333333333333 0.67815476607684 91.224 > 37 46 Zr 0.58484209566998 0.58333333333333 0.67815476607684 91.224 > 37 47 Zr 0.08484209566998 0.91666666666667 0.67815476607684 91.224 > 37 48 Zr 0.58484209566998 0.91666666666667 0.67815476607684 91.224 > 37 49 O 0.05503426329240 0.08333333333333 0.30424360737238 15.999 > 49 50 O 0.55503426329240 0.08333333333333 0.30424360737238 15.999 > 49 51 O 0.05503426329240 0.41666666666667 0.30424360737238 15.999 > 49 52 O 0.55503426329240 0.41666666666667 0.30424360737238 15.999 > 49 53 O 0.05503426329240 0.75000000000000 0.30424360737238 15.999 > 49 54 O 0.55503426329240 0.75000000000000 0.30424360737238 15.999 > 49 55 O 0.05503426329240 0.08333333333333 0.80424360737238 15.999 > 49 56 O 0.55503426329240 0.08333333333333 0.80424360737238 15.999 > 49 57 O 0.05503426329240 0.41666666666667 0.80424360737238 15.999 > 49 58 O 0.55503426329240 0.41666666666667 0.80424360737238 15.999 > 49 59 O 0.05503426329240 0.75000000000000 0.80424360737238 15.999 > 49 60 O 0.55503426329240 0.75000000000000 0.80424360737238 15.999 > 49 61 O 0.17868338649692 0.25000000000000 0.31513281574597 15.999 > 61 62 O 0.67868338649692 0.25000000000000 0.31513281574597 15.999 > 61 63 O 0.17868338649692 0.58333333333333 0.31513281574597 15.999 > 61 64 O 0.67868338649692 0.58333333333333 0.31513281574597 15.999 > 61 65 O 0.17868338649692 0.91666666666667 0.31513281574597 15.999 > 61 66 O 0.67868338649692 0.91666666666667 0.31513281574597 15.999 > 61 67 O 0.17868338649692 0.25000000000000 0.81513281574597 15.999 > 61 68 O 0.67868338649692 0.25000000000000 0.81513281574597 15.999 > 61 69 O 0.17868338649692 0.58333333333333 0.81513281574597 15.999 > 61 70 O 0.67868338649692 0.58333333333333 0.81513281574597 15.999 > 61 71 O 0.17868338649692 0.91666666666667 0.81513281574597 15.999 > 61 72 O 0.67868338649692 0.91666666666667 0.81513281574597 15.999 > 61 73 O 0.42868338649692 0.25000000000000 0.43486718425403 15.999 > 73 74 O 0.92868338649692 0.25000000000000 0.43486718425403 15.999 > 73 75 O 0.42868338649692 0.58333333333333 0.43486718425403 15.999 > 73 76 O 0.92868338649692 0.58333333333333 0.43486718425403 15.999 > 73 77 O 0.42868338649692 0.91666666666667 0.43486718425403 15.999 > 73 78 O 0.92868338649692 0.91666666666667 0.43486718425403 15.999 > 73 79 O 0.42868338649692 0.25000000000000 0.93486718425403 15.999 > 73 80 O 0.92868338649692 0.25000000000000 0.93486718425403 15.999 > 73 81 O 0.42868338649692 0.58333333333333 0.93486718425403 15.999 > 73 82 O 0.92868338649692 0.58333333333333 0.93486718425403 15.999 > 73 83 O 0.42868338649692 0.91666666666667 0.93486718425403 15.999 > 73 84 O 0.92868338649692 0.91666666666667 0.93486718425403 15.999 > 73 85 O 0.30503426329240 0.08333333333333 0.44575639262762 15.999 > 85 86 O 0.80503426329240 0.08333333333333 0.44575639262762 15.999 > 85 87 O 0.30503426329240 0.41666666666667 0.44575639262762 15.999 > 85 88 O 0.80503426329240 0.41666666666667 0.44575639262762 15.999 > 85 89 O 0.30503426329240 0.75000000000000 0.44575639262762 15.999 > 85 90 O 0.80503426329240 0.75000000000000 0.44575639262762 15.999 > 85 91 O 0.30503426329240 0.08333333333333 0.94575639262762 15.999 > 85 92 O 0.80503426329240 0.08333333333333 0.94575639262762 15.999 > 85 93 O 0.30503426329240 0.41666666666667 0.94575639262762 15.999 > 85 94 O 0.80503426329240 0.41666666666667 0.94575639262762 15.999 > 85 95 O 0.30503426329240 0.75000000000000 0.94575639262762 15.999 > 85 96 O 0.80503426329240 0.75000000000000 0.94575639262762 15.999 > 85 97 O 0.19496573670760 0.25000000000000 0.05424360737238 15.999 > 97 98 O 0.69496573670760 0.25000000000000 0.05424360737238 15.999 > 97 99 O 0.19496573670760 0.58333333333333 0.05424360737238 15.999 > 97 100 O 0.69496573670760 0.58333333333333 0.05424360737238 15.999 > 97 101 O 0.19496573670760 0.91666666666667 0.05424360737238 15.999 > 97 102 O 0.69496573670760 0.91666666666667 0.05424360737238 15.999 > 97 103 O 0.19496573670760 0.25000000000000 0.55424360737238 15.999 > 97 104 O 0.69496573670760 0.25000000000000 0.55424360737238 15.999 > 97 105 O 0.19496573670760 0.58333333333333 0.55424360737238 15.999 > 97 106 O 0.69496573670760 0.58333333333333 0.55424360737238 15.999 > 97 107 O 0.19496573670760 0.91666666666667 0.55424360737238 15.999 > 97 108 O 0.69496573670760 0.91666666666667 0.55424360737238 15.999 > 97 109 O 0.07131661350308 0.08333333333333 0.06513281574597 15.999 > 109 110 O 0.57131661350308 0.08333333333333 0.06513281574597 15.999 > 109 111 O 0.07131661350308 0.41666666666667 0.06513281574597 15.999 > 109 112 O 0.57131661350308 0.41666666666667 0.06513281574597 15.999 > 109 113 O 0.07131661350308 0.75000000000000 0.06513281574597 15.999 > 109 114 O 0.57131661350308 0.75000000000000 0.06513281574597 15.999 > 109 115 O 0.07131661350308 0.08333333333333 0.56513281574597 15.999 > 109 116 O 0.57131661350308 0.08333333333333 0.56513281574597 15.999 > 109 117 O 0.07131661350308 0.41666666666667 0.56513281574597 15.999 > 109 118 O 0.57131661350308 0.41666666666667 0.56513281574597 15.999 > 109 119 O 0.07131661350308 0.75000000000000 0.56513281574597 15.999 > 109 120 O 0.57131661350308 0.75000000000000 0.56513281574597 15.999 > 109 121 O 0.32131661350308 0.08333333333333 0.18486718425403 15.999 > 121 122 O 0.82131661350308 0.08333333333333 0.18486718425403 15.999 > 121 123 O 0.32131661350308 0.41666666666667 0.18486718425403 15.999 > 121 124 O 0.82131661350308 0.41666666666667 0.18486718425403 15.999 > 121 125 O 0.32131661350308 0.75000000000000 0.18486718425403 15.999 > 121 126 O 0.82131661350308 0.75000000000000 0.18486718425403 15.999 > 121 127 O 0.32131661350308 0.08333333333333 0.68486718425403 15.999 > 121 128 O 0.82131661350308 0.08333333333333 0.68486718425403 15.999 > 121 129 O 0.32131661350308 0.41666666666667 0.68486718425403 15.999 > 121 130 O 0.82131661350308 0.41666666666667 0.68486718425403 15.999 > 121 131 O 0.32131661350308 0.75000000000000 0.68486718425403 15.999 > 121 132 O 0.82131661350308 0.75000000000000 0.68486718425403 15.999 > 121 133 O 0.44496573670760 0.25000000000000 0.19575639262762 15.999 > 133 134 O 0.94496573670760 0.25000000000000 0.19575639262762 15.999 > 133 135 O 0.44496573670760 0.58333333333333 0.19575639262762 15.999 > 133 136 O 0.94496573670760 0.58333333333333 0.19575639262762 15.999 > 133 137 O 0.44496573670760 0.91666666666667 0.19575639262762 15.999 > 133 138 O 0.94496573670760 0.91666666666667 0.19575639262762 15.999 > 133 139 O 0.44496573670760 0.25000000000000 0.69575639262762 15.999 > 133 140 O 0.94496573670760 0.25000000000000 0.69575639262762 15.999 > 133 141 O 0.44496573670760 0.58333333333333 0.69575639262762 15.999 > 133 142 O 0.94496573670760 0.58333333333333 0.69575639262762 15.999 > 133 143 O 0.44496573670760 0.91666666666667 0.69575639262762 15.999 > 133 144 O 0.94496573670760 0.91666666666667 0.69575639262762 15.999 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8385299 0.0000000 0.0000000 0.0000000 5.2669863 0.0000000 0.0000000 0.0000000 5.1566676 -------------------------- Born effective charges -------------------------- 1 Zr 4.7583710 0.0000000 -0.9317028 0.0000000 5.3585780 0.0000000 0.0049789 0.0000000 5.1264530 2 Zr 4.7583710 0.0000000 0.9317028 0.0000000 5.3585780 0.0000000 -0.0049789 0.0000000 5.1264530 3 Zr 4.7583710 0.0000000 0.9317028 0.0000000 5.3585780 0.0000000 -0.0049789 0.0000000 5.1264530 4 Zr 4.7583710 0.0000000 -0.9317028 0.0000000 5.3585780 0.0000000 0.0049789 0.0000000 5.1264530 5 O -3.1492309 0.0000000 -0.1857922 0.0000000 -2.4199117 0.0000000 -0.3523782 0.0000000 -2.1961558 6 O -1.6091401 0.0000000 -0.7355152 0.0000000 -2.9386663 0.0000000 -0.7903916 0.0000000 -2.9302971 7 O -1.6091401 0.0000000 0.7355152 0.0000000 -2.9386663 0.0000000 0.7903916 0.0000000 -2.9302971 8 O -3.1492309 0.0000000 0.1857922 0.0000000 -2.4199117 0.0000000 0.3523782 0.0000000 -2.1961558 9 O -3.1492309 0.0000000 0.1857922 0.0000000 -2.4199117 0.0000000 0.3523782 0.0000000 -2.1961558 10 O -1.6091401 0.0000000 0.7355152 0.0000000 -2.9386663 0.0000000 0.7903916 0.0000000 -2.9302971 11 O -1.6091401 0.0000000 -0.7355152 0.0000000 -2.9386663 0.0000000 -0.7903916 0.0000000 -2.9302971 12 O -3.1492309 0.0000000 -0.1857922 0.0000000 -2.4199117 0.0000000 -0.3523782 0.0000000 -2.1961558 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yxy) 0.00000002 (yxy) 0.00000002 (yyx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 7 15 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: 0.80, Number of G-points: 293, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 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 2.963 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 5.033 ( 0.000 0.000 0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.952 ( 0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 9.568 ( 0.000 0.000 0.000) 0.000 9.939 ( 0.000 0.000 0.000) 0.000 10.236 ( 0.000 0.000 0.000) 0.000 10.468 ( 0.000 0.000 0.000) 0.000 10.471 ( 0.000 0.000 0.000) 0.000 11.501 ( 0.000 0.000 0.000) 0.000 11.610 ( 0.000 0.000 0.000) 0.000 11.788 ( 0.000 0.000 0.000) 0.000 12.604 ( 0.000 0.000 0.000) 0.000 12.650 ( 0.000 0.000 0.000) 0.000 13.926 ( 0.000 0.000 0.000) 0.000 14.514 ( 0.000 0.000 0.000) 0.000 14.923 ( 0.000 0.000 0.000) 0.000 15.235 ( 0.000 0.000 0.000) 0.000 15.462 ( 0.000 0.000 0.000) 0.000 15.781 ( 0.000 0.000 0.000) 0.000 15.914 ( 0.000 0.000 0.000) 0.000 16.642 ( 0.000 0.000 0.000) 0.000 17.221 ( 0.000 0.000 0.000) 0.000 17.885 ( 0.000 0.000 0.000) 0.000 19.267 ( 0.000 0.000 0.000) 0.000 19.988 ( 0.000 0.000 0.000) 0.000 20.970 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 30.290 0.000 0.000) 30.290 0.858 ( 44.855 0.000 0.000) 44.855 1.249 ( 65.905 0.000 0.000) 65.905 2.873 ( -9.474 0.000 0.000) 9.474 3.561 ( -8.845 0.000 0.000) 8.845 4.928 ( 0.950 0.000 0.000) 0.950 5.029 ( -0.383 0.000 0.000) 0.383 5.717 ( -13.728 0.000 0.000) 13.728 5.903 ( -7.219 0.000 0.000) 7.219 6.573 ( 25.689 0.000 0.000) 25.689 6.831 ( -12.147 0.000 0.000) 12.147 8.715 ( -9.154 0.000 0.000) 9.154 9.396 ( 5.215 0.000 0.000) 5.215 9.935 ( -0.329 0.000 0.000) 0.329 10.211 ( -2.888 0.000 0.000) 2.888 10.411 ( -6.007 0.000 0.000) 6.007 10.489 ( 2.103 0.000 0.000) 2.103 10.502 ( 2.346 0.000 0.000) 2.346 11.503 ( 0.230 0.000 0.000) 0.230 11.626 ( 1.665 0.000 0.000) 1.665 11.745 ( -4.117 0.000 0.000) 4.117 12.442 ( -17.557 0.000 0.000) 17.557 13.944 ( 22.748 0.000 0.000) 22.748 13.999 ( 7.493 0.000 0.000) 7.493 14.886 ( -3.871 0.000 0.000) 3.871 15.201 ( -3.471 0.000 0.000) 3.471 15.473 ( 1.327 0.000 0.000) 1.327 15.789 ( 0.826 0.000 0.000) 0.826 15.909 ( -0.603 0.000 0.000) 0.603 16.519 ( -11.645 0.000 0.000) 11.645 17.337 ( 10.631 0.000 0.000) 10.631 17.897 ( 1.172 0.000 0.000) 1.172 19.294 ( 2.708 0.000 0.000) 2.708 19.652 ( -2.803 0.000 0.000) 2.803 20.974 ( 0.519 0.000 0.000) 0.519 21.264 ( -2.310 0.000 0.000) 2.310 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 29.647 0.000 0.000) 29.647 1.658 ( 40.384 0.000 0.000) 40.384 2.379 ( 37.010 0.000 0.000) 37.010 2.685 ( 7.365 0.000 0.000) 7.365 3.315 ( -17.452 0.000 0.000) 17.452 4.951 ( 1.399 0.000 0.000) 1.399 5.019 ( -0.760 0.000 0.000) 0.760 5.307 ( -30.538 0.000 0.000) 30.538 5.872 ( 3.608 0.000 0.000) 3.608 6.551 ( -16.302 0.000 0.000) 16.302 7.088 ( 28.638 0.000 0.000) 28.638 8.469 ( -16.868 0.000 0.000) 16.868 9.538 ( 9.859 0.000 0.000) 9.859 9.933 ( 0.344 0.000 0.000) 0.344 10.129 ( -5.474 0.000 0.000) 5.474 10.248 ( -11.153 0.000 0.000) 11.153 10.545 ( 3.364 0.000 0.000) 3.364 10.556 ( 3.024 0.000 0.000) 3.024 11.511 ( 0.731 0.000 0.000) 0.731 11.657 ( -4.786 0.000 0.000) 4.786 11.668 ( 2.790 0.000 0.000) 2.790 12.116 ( -15.808 0.000 0.000) 15.808 14.183 ( 11.434 0.000 0.000) 11.434 14.398 ( 23.695 0.000 0.000) 23.695 14.780 ( -7.395 0.000 0.000) 7.395 15.116 ( -5.385 0.000 0.000) 5.385 15.524 ( 4.577 0.000 0.000) 4.577 15.810 ( 1.389 0.000 0.000) 1.389 15.892 ( -1.126 0.000 0.000) 1.126 16.251 ( -16.249 0.000 0.000) 16.249 17.561 ( 12.292 0.000 0.000) 12.292 17.915 ( 0.254 0.000 0.000) 0.254 19.357 ( 3.693 0.000 0.000) 3.693 19.583 ( -4.351 0.000 0.000) 4.351 20.994 ( 1.798 0.000 0.000) 1.798 21.203 ( -4.014 0.000 0.000) 4.014 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 27.978 0.000 0.000) 27.978 2.161 ( -24.052 0.000 0.000) 24.052 2.353 ( 33.730 0.000 0.000) 33.730 2.910 ( -25.834 0.000 0.000) 25.834 3.619 ( 56.136 0.000 0.000) 56.136 4.584 ( -46.157 0.000 0.000) 46.157 4.978 ( 1.375 0.000 0.000) 1.375 5.001 ( -1.111 0.000 0.000) 1.111 6.014 ( 10.876 0.000 0.000) 10.876 6.257 ( -14.715 0.000 0.000) 14.715 7.618 ( 27.443 0.000 0.000) 27.443 8.094 ( -23.117 0.000 0.000) 23.117 9.755 ( 13.079 0.000 0.000) 13.079 9.957 ( 2.422 0.000 0.000) 2.422 10.011 ( -13.756 0.000 0.000) 13.756 10.027 ( -4.919 0.000 0.000) 4.919 10.596 ( 1.714 0.000 0.000) 1.714 10.600 ( 1.290 0.000 0.000) 1.290 11.534 ( 1.734 0.000 0.000) 1.734 11.580 ( -3.302 0.000 0.000) 3.302 11.738 ( 5.079 0.000 0.000) 5.079 11.875 ( -9.945 0.000 0.000) 9.945 14.405 ( 11.910 0.000 0.000) 11.910 14.614 ( -10.246 0.000 0.000) 10.246 14.776 ( 15.900 0.000 0.000) 15.900 14.994 ( -8.263 0.000 0.000) 8.263 15.668 ( 11.289 0.000 0.000) 11.289 15.838 ( 1.598 0.000 0.000) 1.598 15.868 ( -1.486 0.000 0.000) 1.486 15.937 ( -16.620 0.000 0.000) 16.620 17.766 ( 9.082 0.000 0.000) 9.082 17.887 ( -3.747 0.000 0.000) 3.747 19.426 ( 3.743 0.000 0.000) 3.743 19.500 ( -4.251 0.000 0.000) 4.251 21.044 ( 3.533 0.000 0.000) 3.533 21.121 ( -4.505 0.000 0.000) 4.505 ======================= Grid point 7 (5/160) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.000 39.082 0.000) 39.082 0.885 ( 0.000 45.115 0.000) 45.115 1.377 ( 0.000 69.765 0.000) 69.765 3.033 ( 0.000 7.079 0.000) 7.079 3.755 ( 0.000 10.922 0.000) 10.922 4.967 ( 0.000 4.081 0.000) 4.081 5.203 ( 0.000 16.808 0.000) 16.808 5.907 ( 0.000 7.024 0.000) 7.024 6.176 ( 0.000 15.247 0.000) 15.247 6.187 ( 0.000 -0.762 0.000) 0.762 7.054 ( 0.000 10.124 0.000) 10.124 8.897 ( 0.000 9.570 0.000) 9.570 9.494 ( 0.000 -7.794 0.000) 7.794 9.879 ( 0.000 -6.046 0.000) 6.046 10.189 ( 0.000 -4.670 0.000) 4.670 10.282 ( 0.000 -12.432 0.000) 12.432 10.539 ( 0.000 0.660 0.000) 0.660 11.370 ( 0.000 -12.545 0.000) 12.545 11.479 ( 0.000 -12.044 0.000) 12.044 11.860 ( 0.000 6.414 0.000) 6.414 12.594 ( 0.000 -0.984 0.000) 0.984 12.597 ( 0.000 -5.314 0.000) 5.314 13.770 ( 0.000 -14.515 0.000) 14.515 14.550 ( 0.000 3.486 0.000) 3.486 14.569 ( 0.000 -0.741 0.000) 0.741 15.033 ( 0.000 10.824 0.000) 10.824 15.296 ( 0.000 4.890 0.000) 4.890 15.468 ( 0.000 0.710 0.000) 0.710 15.704 ( 0.000 -19.208 0.000) 19.208 16.704 ( 0.000 4.555 0.000) 4.555 17.189 ( 0.000 -3.377 0.000) 3.377 17.836 ( 0.000 -4.979 0.000) 4.979 19.397 ( 0.000 12.549 0.000) 12.549 19.933 ( 0.000 -5.584 0.000) 5.584 20.309 ( 0.000 -3.152 0.000) 3.152 20.964 ( 0.000 -0.586 0.000) 0.586 ======================= Grid point 8 (6/160) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 22.453 27.144 0.000) 35.227 0.951 ( 17.860 31.258 0.000) 36.001 2.009 ( 48.426 53.662 0.000) 72.282 2.946 ( -8.763 7.753 0.000) 11.701 3.659 ( -10.217 9.639 0.000) 14.046 4.976 ( 0.859 4.211 0.000) 4.297 5.197 ( -0.869 16.448 0.000) 16.471 5.815 ( -10.169 9.940 0.000) 14.220 5.889 ( -8.511 2.381 0.000) 8.838 6.660 ( 27.746 9.429 0.000) 29.304 6.918 ( -13.724 8.846 0.000) 16.328 8.812 ( -8.971 9.808 0.000) 13.292 9.400 ( -5.645 -4.497 0.000) 7.217 9.940 ( 4.615 -6.033 0.000) 7.595 10.117 ( -6.444 -8.559 0.000) 10.714 10.318 ( 2.049 -8.454 0.000) 8.699 10.498 ( -3.498 -0.716 0.000) 3.570 11.346 ( -12.569 -0.883 0.000) 12.600 11.460 ( -44.542 29.681 0.000) 53.525 11.507 ( 2.424 -10.833 0.000) 11.101 11.823 ( -3.411 6.811 0.000) 7.617 12.615 ( -18.678 16.277 0.000) 24.775 13.843 ( 7.531 -14.444 0.000) 16.290 13.974 ( 11.380 3.597 0.000) 11.935 14.902 ( -4.970 1.997 0.000) 5.357 15.263 ( -3.287 5.015 0.000) 5.996 15.436 ( 11.031 -15.999 0.000) 19.433 15.513 ( 8.615 -2.059 0.000) 8.858 15.696 ( -0.907 -19.173 0.000) 19.195 16.584 ( -11.014 4.691 0.000) 11.971 17.305 ( 10.515 -3.337 0.000) 11.032 17.884 ( 2.570 -2.827 0.000) 3.821 19.421 ( 2.336 12.179 0.000) 12.401 19.730 ( -7.014 3.361 0.000) 7.777 20.863 ( 23.840 -23.647 0.000) 33.579 20.968 ( 0.503 -0.604 0.000) 0.786 ======================= Grid point 9 (7/160) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 24.293 21.438 0.000) 32.400 1.582 ( 39.175 3.049 0.000) 39.293 2.634 ( -10.937 12.878 0.000) 16.896 3.041 ( 46.812 38.489 0.000) 60.604 3.376 ( -19.961 6.252 0.000) 20.917 4.988 ( -0.332 4.288 0.000) 4.301 5.168 ( -2.075 14.238 0.000) 14.389 5.510 ( -22.594 18.848 0.000) 29.423 5.854 ( 3.967 -0.135 0.000) 3.970 6.597 ( -18.873 4.821 0.000) 19.479 7.194 ( 28.969 10.996 0.000) 30.986 8.570 ( -16.672 10.276 0.000) 19.585 9.388 ( 4.595 -8.698 0.000) 9.837 9.964 ( -9.850 -11.726 0.000) 15.314 10.015 ( 3.307 -2.153 0.000) 3.946 10.288 ( -5.678 -1.251 0.000) 5.815 10.478 ( 2.192 -6.066 0.000) 6.450 10.801 ( -16.805 20.125 0.000) 26.219 11.383 ( 0.823 -12.119 0.000) 12.147 11.534 ( -0.609 -9.594 0.000) 9.613 11.776 ( -0.055 8.373 0.000) 8.373 12.263 ( -16.891 14.687 0.000) 22.383 14.031 ( 11.934 -13.818 0.000) 18.258 14.348 ( 21.733 -4.812 0.000) 22.259 14.764 ( -8.527 -1.427 0.000) 8.646 15.179 ( -5.715 4.695 0.000) 7.396 15.508 ( 2.642 -5.670 0.000) 6.255 15.667 ( -2.153 -19.020 0.000) 19.142 15.688 ( 7.974 -5.433 0.000) 9.649 16.340 ( -14.382 5.834 0.000) 15.520 17.526 ( 12.202 -3.666 0.000) 12.741 17.908 ( -0.148 -1.499 0.000) 1.506 19.473 ( 2.866 10.999 0.000) 11.366 19.635 ( -4.052 3.822 0.000) 5.570 20.988 ( 1.664 -0.743 0.000) 1.823 21.083 ( 3.533 -10.834 0.000) 11.396 ======================= Grid point 10 (8/160) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 25.127 15.297 0.000) 29.417 2.259 ( -4.092 7.269 0.000) 8.342 2.321 ( 17.884 3.509 0.000) 18.224 2.917 ( -28.965 2.003 0.000) 29.034 3.983 ( 49.041 32.674 0.000) 58.929 4.783 ( -31.722 17.417 0.000) 36.189 5.130 ( -1.614 12.158 0.000) 12.264 5.141 ( -6.355 16.996 0.000) 18.145 6.005 ( 11.454 -0.091 0.000) 11.454 6.264 ( -16.096 1.005 0.000) 16.127 7.724 ( 27.342 11.118 0.000) 29.516 8.198 ( -22.954 10.736 0.000) 25.341 9.541 ( 10.778 -12.761 0.000) 16.704 9.758 ( -11.788 -13.497 0.000) 17.920 10.076 ( 3.677 1.650 0.000) 4.030 10.167 ( -6.135 1.880 0.000) 6.417 10.539 ( 3.622 -5.308 0.000) 6.426 10.617 ( -5.502 2.204 0.000) 5.927 11.416 ( 2.760 -11.012 0.000) 11.353 11.482 ( -3.955 -9.446 0.000) 10.241 11.839 ( 6.274 10.003 0.000) 11.807 12.001 ( -11.171 12.345 0.000) 16.649 14.269 ( 13.141 -11.886 0.000) 17.719 14.497 ( -9.618 -8.786 0.000) 13.027 14.795 ( 14.917 -1.423 0.000) 14.985 15.038 ( -9.986 2.061 0.000) 10.196 15.560 ( 2.996 -10.861 0.000) 11.267 15.618 ( -3.010 -16.896 0.000) 17.162 15.848 ( 9.965 2.570 0.000) 10.291 16.071 ( -13.697 6.434 0.000) 15.133 17.734 ( 9.527 -3.448 0.000) 10.131 17.867 ( -4.560 -2.392 0.000) 5.150 19.522 ( 2.441 8.887 0.000) 9.216 19.570 ( -2.908 6.126 0.000) 6.781 21.031 ( 2.879 -1.437 0.000) 3.218 21.083 ( -2.196 -3.906 0.000) 4.481 ======================= Grid point 14 (9/160) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 37.843 0.000) 37.843 1.745 ( 0.000 43.057 0.000) 43.057 2.687 ( 0.000 63.555 0.000) 63.555 3.237 ( 0.000 14.346 0.000) 14.346 4.041 ( 0.000 17.802 0.000) 17.802 5.031 ( 0.000 1.493 0.000) 1.493 5.641 ( 0.000 26.741 0.000) 26.741 6.123 ( 0.000 14.919 0.000) 14.919 6.163 ( 0.000 -1.715 0.000) 1.715 6.591 ( 0.000 26.427 0.000) 26.427 7.316 ( 0.000 15.573 0.000) 15.573 9.152 ( 0.000 15.333 0.000) 15.333 9.252 ( 0.000 -17.304 0.000) 17.304 9.719 ( 0.000 -9.824 0.000) 9.824 10.003 ( 0.000 -15.184 0.000) 15.184 10.070 ( 0.000 -6.732 0.000) 6.732 10.509 ( 0.000 -3.098 0.000) 3.098 11.070 ( 0.000 -16.847 0.000) 16.847 11.173 ( 0.000 -18.778 0.000) 18.778 12.031 ( 0.000 11.203 0.000) 11.203 12.452 ( 0.000 -9.364 0.000) 9.364 12.577 ( 0.000 -0.343 0.000) 0.343 13.431 ( 0.000 -18.898 0.000) 18.898 14.533 ( 0.000 -3.180 0.000) 3.180 14.641 ( 0.000 5.641 0.000) 5.641 15.254 ( 0.000 -25.504 0.000) 25.504 15.311 ( 0.000 16.793 0.000) 16.793 15.371 ( 0.000 1.886 0.000) 1.886 15.495 ( 0.000 2.199 0.000) 2.199 16.771 ( 0.000 1.941 0.000) 1.941 17.089 ( 0.000 -6.825 0.000) 6.825 17.692 ( 0.000 -9.718 0.000) 9.718 19.706 ( 0.000 17.897 0.000) 17.897 19.777 ( 0.000 -10.287 0.000) 10.287 20.217 ( 0.000 -6.299 0.000) 6.299 20.945 ( 0.000 -1.441 0.000) 1.441 ======================= Grid point 15 (10/160) ======================= q-point: ( 0.14 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 10.150 35.291 0.000) 36.721 1.677 ( 0.512 42.067 0.000) 42.071 3.034 ( 16.450 37.434 0.000) 40.889 3.227 ( 12.264 33.083 0.000) 35.283 3.912 ( -13.503 15.701 0.000) 20.709 5.054 ( 2.200 2.971 0.000) 3.697 5.612 ( -4.389 23.782 0.000) 24.183 5.970 ( -8.868 5.662 0.000) 10.522 6.089 ( -3.828 17.477 0.000) 17.891 6.956 ( 28.288 20.880 0.000) 35.160 7.156 ( -16.538 14.668 0.000) 22.106 9.079 ( -7.894 16.576 0.000) 18.360 9.221 ( -2.346 -14.166 0.000) 14.359 9.758 ( 3.805 -11.447 0.000) 12.063 9.920 ( -7.475 -11.085 0.000) 13.370 10.106 ( 2.475 -12.057 0.000) 12.308 10.444 ( -5.786 -4.595 0.000) 7.388 11.072 ( 0.359 -16.488 0.000) 16.492 11.234 ( 5.044 -16.518 0.000) 17.271 11.796 ( -41.045 5.494 0.000) 41.411 12.004 ( -2.163 11.741 0.000) 11.939 12.853 ( -0.281 5.109 0.000) 5.117 13.508 ( 8.023 -18.573 0.000) 20.231 14.081 ( -10.171 6.096 0.000) 11.858 14.974 ( 0.489 4.553 0.000) 4.579 15.184 ( -0.477 -6.521 0.000) 6.539 15.248 ( -1.134 -24.762 0.000) 24.788 15.342 ( -2.605 1.516 0.000) 3.014 15.573 ( 5.872 5.085 0.000) 7.768 16.653 ( -10.314 2.015 0.000) 10.509 17.206 ( 10.090 -6.822 0.000) 12.180 17.777 ( 5.717 -8.004 0.000) 9.836 19.714 ( -3.360 -4.779 0.000) 5.842 19.719 ( 1.114 17.123 0.000) 17.159 20.505 ( 21.956 -14.699 0.000) 26.422 20.948 ( 0.360 -1.559 0.000) 1.600 ======================= Grid point 16 (11/160) ======================= q-point: ( 0.29 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 16.908 29.745 0.000) 34.215 1.900 ( 22.565 27.667 0.000) 35.702 2.907 ( -14.491 16.247 0.000) 21.771 3.556 ( -24.021 12.136 0.000) 26.913 3.920 ( 44.416 47.948 0.000) 65.359 5.100 ( 2.334 6.066 0.000) 6.499 5.478 ( -7.778 13.684 0.000) 15.740 5.946 ( 4.366 12.016 0.000) 12.785 5.961 ( -10.951 25.670 0.000) 27.908 6.746 ( -25.289 10.594 0.000) 27.418 7.510 ( 29.922 21.083 0.000) 36.604 8.859 ( -15.456 18.875 0.000) 24.395 9.212 ( 2.317 -11.019 0.000) 11.260 9.742 ( -11.159 -10.483 0.000) 15.311 9.846 ( 5.372 -12.914 0.000) 13.987 10.134 ( -0.736 -13.451 0.000) 13.471 10.357 ( -1.360 -6.045 0.000) 6.196 11.085 ( -5.742 -6.701 0.000) 8.824 11.118 ( -22.316 1.256 0.000) 22.351 11.297 ( 0.503 -14.156 0.000) 14.165 11.993 ( 2.137 13.484 0.000) 13.652 12.614 ( -17.931 18.324 0.000) 25.638 13.715 ( 13.730 -17.344 0.000) 22.121 14.227 ( 17.672 -7.440 0.000) 19.174 14.726 ( -17.239 -2.567 0.000) 17.429 15.164 ( -8.457 -16.125 0.000) 18.208 15.301 ( 5.291 -10.208 0.000) 11.497 15.319 ( 0.557 -6.521 0.000) 6.545 15.715 ( 9.565 4.610 0.000) 10.618 16.430 ( -13.121 3.262 0.000) 13.520 17.416 ( 11.763 -7.645 0.000) 14.029 17.834 ( 0.022 -6.361 0.000) 6.361 19.680 ( -0.375 0.315 0.000) 0.490 19.735 ( 0.298 14.754 0.000) 14.757 20.838 ( 12.177 -13.578 0.000) 18.238 20.961 ( 1.060 -2.089 0.000) 2.342 ======================= Grid point 17 (12/160) ======================= q-point: ( 0.43 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 19.662 24.103 0.000) 31.105 2.429 ( 30.411 15.450 0.000) 34.110 2.593 ( -17.204 19.220 0.000) 25.795 3.037 ( -30.841 10.912 0.000) 32.714 4.725 ( 38.456 40.803 0.000) 56.069 5.114 ( -3.214 14.105 0.000) 14.467 5.385 ( -0.311 10.955 0.000) 10.960 5.629 ( -23.639 31.451 0.000) 39.344 6.079 ( 9.574 10.070 0.000) 13.895 6.322 ( -17.661 5.817 0.000) 18.594 8.047 ( 27.073 21.672 0.000) 34.679 8.508 ( -21.957 20.837 0.000) 30.270 9.319 ( 8.859 -11.060 0.000) 14.170 9.520 ( -12.005 -11.131 0.000) 16.371 9.953 ( 5.921 -12.526 0.000) 13.855 10.063 ( -5.672 -11.892 0.000) 13.175 10.432 ( 8.733 -4.653 0.000) 9.895 10.673 ( -17.379 2.909 0.000) 17.620 11.157 ( 4.555 -14.362 0.000) 15.067 11.250 ( -4.682 -13.448 0.000) 14.240 12.097 ( 8.742 15.561 0.000) 17.849 12.310 ( -13.941 17.837 0.000) 22.639 14.007 ( 17.145 -14.222 0.000) 22.276 14.333 ( -15.852 -7.687 0.000) 17.618 14.642 ( 16.354 -14.846 0.000) 22.087 14.947 ( -14.458 -14.175 0.000) 20.247 15.341 ( 1.279 -8.278 0.000) 8.376 15.351 ( 0.576 -8.229 0.000) 8.249 15.925 ( 12.637 4.575 0.000) 13.440 16.175 ( -13.849 4.368 0.000) 14.521 17.626 ( 10.151 -7.851 0.000) 12.832 17.779 ( -5.831 -7.012 0.000) 9.119 19.693 ( 1.522 5.724 0.000) 5.923 19.724 ( -1.416 10.827 0.000) 10.919 20.970 ( 2.925 -7.677 0.000) 8.215 20.982 ( 0.825 -3.754 0.000) 3.844 ======================= Grid point 21 (13/160) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 0.000 36.141 0.000) 36.141 2.549 ( 0.000 39.357 0.000) 39.357 3.474 ( 0.000 18.600 0.000) 18.600 3.932 ( 0.000 55.069 0.000) 55.069 4.426 ( 0.000 21.439 0.000) 21.439 5.011 ( 0.000 -3.328 0.000) 3.328 6.117 ( 0.000 -3.044 0.000) 3.044 6.192 ( 0.000 28.726 0.000) 28.726 6.455 ( 0.000 17.965 0.000) 17.965 7.153 ( 0.000 29.482 0.000) 29.482 7.588 ( 0.000 10.072 0.000) 10.072 8.832 ( 0.000 -24.776 0.000) 24.776 9.310 ( 0.000 -8.229 0.000) 8.229 9.527 ( 0.000 -9.019 0.000) 9.019 9.851 ( 0.000 7.752 0.000) 7.752 9.978 ( 0.000 -1.043 0.000) 1.043 10.452 ( 0.000 -1.756 0.000) 1.756 10.755 ( 0.000 -14.859 0.000) 14.859 10.784 ( 0.000 -20.138 0.000) 20.138 12.237 ( 0.000 -12.745 0.000) 12.745 12.294 ( 0.000 15.716 0.000) 15.716 12.598 ( 0.000 2.934 0.000) 2.934 13.071 ( 0.000 -17.486 0.000) 17.486 14.439 ( 0.000 -6.472 0.000) 6.472 14.751 ( 0.000 -25.613 0.000) 25.613 14.763 ( 0.000 6.859 0.000) 6.859 15.352 ( 0.000 -3.893 0.000) 3.893 15.557 ( 0.000 4.186 0.000) 4.186 15.655 ( 0.000 17.888 0.000) 17.888 16.772 ( 0.000 -1.871 0.000) 1.871 16.925 ( 0.000 -10.026 0.000) 10.026 17.461 ( 0.000 -13.964 0.000) 13.964 19.544 ( 0.000 -13.246 0.000) 13.246 20.050 ( 0.000 16.648 0.000) 16.648 20.065 ( 0.000 -9.309 0.000) 9.309 20.907 ( 0.000 -2.487 0.000) 2.487 ======================= Grid point 22 (14/160) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 6.650 34.863 0.000) 35.491 2.492 ( -2.801 40.767 0.000) 40.863 3.428 ( -5.714 17.872 0.000) 18.764 4.203 ( 26.744 51.258 0.000) 57.815 4.247 ( -17.257 18.216 0.000) 25.092 5.080 ( 5.810 0.093 0.000) 5.810 5.901 ( -15.814 3.620 0.000) 16.224 6.258 ( 3.808 25.115 0.000) 25.402 6.456 ( 0.000 19.071 0.000) 19.071 7.428 ( -16.681 11.320 0.000) 20.159 7.432 ( 25.490 26.110 0.000) 36.489 8.849 ( 1.948 -23.038 0.000) 23.120 9.300 ( -1.613 -4.213 0.000) 4.511 9.542 ( 1.736 -9.622 0.000) 9.778 9.774 ( -7.937 4.831 0.000) 9.292 9.951 ( -2.615 -1.620 0.000) 3.076 10.345 ( -7.885 -4.733 0.000) 9.196 10.763 ( 0.979 -14.634 0.000) 14.667 10.899 ( 8.420 -16.827 0.000) 18.816 11.833 ( -29.976 -0.500 0.000) 29.980 12.271 ( -1.574 15.301 0.000) 15.382 12.856 ( 12.973 -2.684 0.000) 13.248 13.159 ( 8.961 -16.592 0.000) 18.857 14.153 ( -16.951 0.482 0.000) 16.957 14.753 ( -0.065 -25.204 0.000) 25.204 14.988 ( 13.197 -1.709 0.000) 13.307 15.237 ( -27.243 9.591 0.000) 28.882 15.323 ( -2.802 -3.760 0.000) 4.689 15.698 ( 4.092 7.570 0.000) 8.605 16.656 ( -9.115 -1.768 0.000) 9.285 17.041 ( 9.089 -10.059 0.000) 13.557 17.578 ( 8.032 -12.410 0.000) 14.783 19.567 ( 2.714 -9.648 0.000) 10.022 20.046 ( -0.732 15.706 0.000) 15.723 20.244 ( 16.596 -12.768 0.000) 20.939 20.906 ( -0.085 -2.771 0.000) 2.773 ======================= Grid point 23 (15/160) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 11.894 31.590 0.000) 33.755 2.550 ( 10.216 36.873 0.000) 38.262 3.262 ( -11.670 19.919 0.000) 23.086 3.841 ( -25.161 16.861 0.000) 30.288 4.826 ( 37.719 43.524 0.000) 57.594 5.190 ( 5.656 2.988 0.000) 6.397 5.626 ( -12.679 3.490 0.000) 13.151 6.335 ( 4.330 24.935 0.000) 25.308 6.446 ( -1.495 22.912 0.000) 22.960 6.993 ( -28.797 13.738 0.000) 31.907 7.977 ( 30.901 25.150 0.000) 39.842 8.913 ( 5.185 -19.576 0.000) 20.251 9.217 ( -7.996 8.613 0.000) 11.753 9.564 ( -14.322 -2.378 0.000) 14.518 9.594 ( 3.838 -11.082 0.000) 11.727 9.894 ( -3.640 -7.173 0.000) 8.044 10.250 ( -0.212 -3.837 0.000) 3.843 10.797 ( 2.640 -14.360 0.000) 14.601 11.009 ( 2.350 -14.850 0.000) 15.035 11.260 ( -29.713 6.474 0.000) 30.410 12.280 ( 3.507 15.447 0.000) 15.840 12.888 ( -9.271 8.921 0.000) 12.866 13.389 ( 15.396 -15.527 0.000) 21.866 14.052 ( 6.938 -10.696 0.000) 12.749 14.686 ( -28.566 -0.656 0.000) 28.573 14.722 ( -4.186 -23.813 0.000) 24.178 15.184 ( 6.321 -1.959 0.000) 6.618 15.267 ( -2.484 -3.579 0.000) 4.357 15.816 ( 8.638 5.495 0.000) 10.238 16.465 ( -11.252 0.262 0.000) 11.255 17.228 ( 10.592 -11.728 0.000) 15.803 17.657 ( -0.083 -11.941 0.000) 11.941 19.650 ( 6.022 -3.109 0.000) 6.777 20.011 ( -3.318 12.971 0.000) 13.389 20.568 ( 15.733 -13.983 0.000) 21.049 20.903 ( -0.300 -3.848 0.000) 3.860 ======================= Grid point 24 (16/160) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 14.772 27.481 0.000) 31.200 2.865 ( 22.059 28.029 0.000) 35.669 3.011 ( -14.368 23.158 0.000) 27.254 3.343 ( -27.174 20.123 0.000) 33.814 5.295 ( 5.815 4.702 0.000) 7.479 5.410 ( -3.814 13.856 0.000) 14.371 5.585 ( 35.688 25.044 0.000) 43.599 6.268 ( -28.734 31.834 0.000) 42.884 6.413 ( 3.988 22.108 0.000) 22.465 6.510 ( -10.944 13.318 0.000) 17.238 8.537 ( 27.965 27.379 0.000) 39.137 8.979 ( -18.279 25.410 0.000) 31.301 9.050 ( 9.531 -18.026 0.000) 20.391 9.276 ( -14.763 -15.132 0.000) 21.140 9.685 ( 5.737 -12.288 0.000) 13.561 9.800 ( -6.181 -11.791 0.000) 13.313 10.378 ( 13.530 -0.312 0.000) 13.533 10.719 ( -20.581 0.167 0.000) 20.582 10.907 ( 1.988 -8.696 0.000) 8.921 10.987 ( -3.921 -13.106 0.000) 13.680 12.410 ( 10.121 15.902 0.000) 18.849 12.642 ( -14.121 15.351 0.000) 20.858 13.729 ( 20.873 -14.281 0.000) 25.290 14.150 ( -20.658 -16.411 0.000) 26.383 14.323 ( 10.778 -10.617 0.000) 15.129 14.573 ( -11.688 -20.624 0.000) 23.706 15.246 ( 0.931 -3.511 0.000) 3.632 15.247 ( 0.088 -3.882 0.000) 3.883 16.011 ( 11.817 4.138 0.000) 12.520 16.241 ( -12.428 2.401 0.000) 12.658 17.425 ( 10.093 -12.875 0.000) 16.360 17.587 ( -6.784 -12.771 0.000) 14.461 19.781 ( 7.660 3.369 0.000) 8.368 19.918 ( -6.485 8.779 0.000) 10.915 20.791 ( 8.043 -10.439 0.000) 13.179 20.883 ( -2.387 -6.364 0.000) 6.797 ======================= Grid point 28 (17/160) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 0.000 34.281 0.000) 34.281 3.268 ( 0.000 34.395 0.000) 34.395 3.839 ( 0.000 19.739 0.000) 19.739 4.866 ( 0.000 23.539 0.000) 23.539 4.913 ( 0.000 43.854 0.000) 43.854 4.921 ( 0.000 -5.302 0.000) 5.302 6.046 ( 0.000 -3.938 0.000) 3.938 6.713 ( 0.000 23.745 0.000) 23.745 6.774 ( 0.000 13.890 0.000) 13.890 7.592 ( 0.000 7.128 0.000) 7.128 7.643 ( 0.000 -4.593 0.000) 4.593 8.424 ( 0.000 -8.454 0.000) 8.454 8.902 ( 0.000 -28.115 0.000) 28.115 9.406 ( 0.000 -2.477 0.000) 2.477 10.064 ( 0.000 8.147 0.000) 8.147 10.186 ( 0.000 19.152 0.000) 19.152 10.447 ( 0.000 -11.735 0.000) 11.735 10.484 ( 0.000 6.474 0.000) 6.474 10.505 ( 0.000 -10.661 0.000) 10.661 11.952 ( 0.000 -16.746 0.000) 16.746 12.627 ( 0.000 17.923 0.000) 17.923 12.701 ( 0.000 7.679 0.000) 7.679 12.763 ( 0.000 -13.933 0.000) 13.933 14.277 ( 0.000 -22.601 0.000) 22.601 14.287 ( 0.000 -8.978 0.000) 8.978 14.906 ( 0.000 7.800 0.000) 7.800 15.225 ( 0.000 -8.837 0.000) 8.837 15.657 ( 0.000 6.072 0.000) 6.072 15.986 ( 0.000 15.698 0.000) 15.698 16.700 ( 0.000 -5.479 0.000) 5.479 16.707 ( 0.000 -12.092 0.000) 12.092 17.155 ( 0.000 -17.371 0.000) 17.371 19.279 ( 0.000 -13.542 0.000) 13.542 19.858 ( 0.000 -11.875 0.000) 11.875 20.333 ( 0.000 12.094 0.000) 12.094 20.850 ( 0.000 -3.286 0.000) 3.286 ======================= Grid point 29 (18/160) ======================= q-point: ( 0.14 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 4.614 33.479 0.000) 33.795 3.241 ( -1.411 35.949 0.000) 35.977 3.800 ( -4.345 20.475 0.000) 20.931 4.581 ( -19.088 14.223 0.000) 23.804 5.095 ( 18.002 38.545 0.000) 42.541 5.105 ( 8.709 4.670 0.000) 9.882 5.917 ( -11.041 0.324 0.000) 11.046 6.753 ( 3.220 23.279 0.000) 23.501 6.787 ( 1.262 14.097 0.000) 14.154 7.536 ( -11.366 -0.715 0.000) 11.389 7.793 ( 19.300 0.313 0.000) 19.302 8.490 ( 7.280 -3.029 0.000) 7.885 8.909 ( 0.439 -28.438 0.000) 28.441 9.420 ( 1.494 -2.207 0.000) 2.665 9.988 ( -7.150 6.691 0.000) 9.793 10.140 ( -6.170 20.307 0.000) 21.223 10.304 ( -6.086 2.642 0.000) 6.634 10.515 ( 1.089 -10.704 0.000) 10.759 10.640 ( 8.136 -7.430 0.000) 11.018 11.772 ( -17.196 -6.532 0.000) 18.395 12.559 ( -3.269 11.451 0.000) 11.908 12.817 ( 9.805 0.033 0.000) 9.805 12.900 ( 10.872 -7.714 0.000) 13.331 14.100 ( -15.839 -5.425 0.000) 16.743 14.288 ( 0.806 -22.205 0.000) 22.219 14.985 ( 3.436 1.787 0.000) 3.873 15.201 ( -2.290 -8.491 0.000) 8.794 15.449 ( -24.690 11.297 0.000) 27.152 15.853 ( -1.845 7.774 0.000) 7.990 16.584 ( -6.863 -5.701 0.000) 8.923 16.824 ( 6.940 -11.867 0.000) 13.747 17.299 ( 8.917 -16.114 0.000) 18.416 19.364 ( 8.663 -10.622 0.000) 13.707 19.995 ( 13.587 -12.985 0.000) 18.795 20.311 ( -2.572 11.286 0.000) 11.575 20.842 ( -0.869 -3.708 0.000) 3.808 ======================= Grid point 30 (19/160) ======================= q-point: ( 0.29 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 8.506 31.290 0.000) 32.425 3.272 ( 5.640 36.178 0.000) 36.615 3.675 ( -8.806 22.613 0.000) 24.267 4.193 ( -21.784 18.657 0.000) 28.682 5.236 ( 5.685 2.680 0.000) 6.286 5.462 ( 12.721 12.638 0.000) 17.932 5.779 ( 4.583 21.400 0.000) 21.885 6.810 ( 2.591 21.965 0.000) 22.117 6.814 ( 1.255 14.330 0.000) 14.385 7.228 ( -21.151 9.106 0.000) 23.028 8.206 ( 22.144 -16.557 0.000) 27.649 8.712 ( 16.939 14.065 0.000) 22.017 8.897 ( -2.503 -28.532 0.000) 28.642 9.464 ( 3.361 -1.532 0.000) 3.694 9.831 ( -9.050 4.874 0.000) 10.279 9.929 ( -15.787 21.040 0.000) 26.304 10.277 ( 3.492 8.084 0.000) 8.806 10.547 ( 2.341 -11.065 0.000) 11.310 10.748 ( 2.993 -10.966 0.000) 11.367 11.374 ( -24.091 4.870 0.000) 24.578 12.559 ( 3.666 11.705 0.000) 12.266 12.959 ( 2.703 -0.902 0.000) 2.850 13.137 ( 14.684 -9.462 0.000) 17.469 13.836 ( -9.577 -10.478 0.000) 14.195 14.286 ( -1.563 -20.362 0.000) 20.422 14.711 ( -29.336 2.915 0.000) 29.481 15.159 ( -1.603 -7.331 0.000) 7.504 15.204 ( -0.512 3.430 0.000) 3.468 15.920 ( 6.985 4.909 0.000) 8.537 16.441 ( -8.496 -2.689 0.000) 8.912 16.967 ( 8.293 -14.798 0.000) 16.963 17.370 ( -1.259 -17.437 0.000) 17.482 19.575 ( 13.127 -4.203 0.000) 13.783 20.227 ( -6.653 9.077 0.000) 11.254 20.298 ( 16.922 -13.669 0.000) 21.753 20.814 ( -2.318 -5.171 0.000) 5.667 ======================= Grid point 31 (20/160) ======================= q-point: ( 0.43 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 10.902 28.213 0.000) 30.246 3.452 ( 7.665 28.324 0.000) 29.342 3.495 ( -4.408 29.157 0.000) 29.488 3.794 ( -20.200 25.472 0.000) 32.509 5.333 ( 5.110 0.346 0.000) 5.122 5.438 ( -6.108 -1.996 0.000) 6.426 6.193 ( 29.512 28.511 0.000) 41.035 6.728 ( -23.649 14.383 0.000) 27.680 6.845 ( 1.123 20.128 0.000) 20.159 6.865 ( -3.978 21.485 0.000) 21.850 8.559 ( 15.503 -27.690 0.000) 31.734 8.790 ( -9.147 -28.174 0.000) 29.622 9.113 ( 24.524 26.832 0.000) 36.351 9.548 ( 5.585 -0.736 0.000) 5.633 9.564 ( -22.453 27.569 0.000) 35.555 9.673 ( -7.901 -0.535 0.000) 7.919 10.437 ( 12.607 5.719 0.000) 13.844 10.584 ( -0.051 -10.047 0.000) 10.047 10.766 ( 0.578 -8.119 0.000) 8.139 10.936 ( -20.069 7.819 0.000) 21.538 12.688 ( 9.569 11.947 0.000) 15.307 12.880 ( -9.449 8.558 0.000) 12.749 13.449 ( 18.105 -14.747 0.000) 23.351 13.725 ( -7.781 -22.759 0.000) 24.052 14.224 ( -4.195 -14.082 0.000) 14.693 14.259 ( -13.551 0.828 0.000) 13.576 15.157 ( 1.365 -5.371 0.000) 5.542 15.192 ( -1.617 -2.334 0.000) 2.839 16.081 ( 9.760 2.925 0.000) 10.189 16.268 ( -9.871 0.290 0.000) 9.875 17.129 ( 8.835 -17.261 0.000) 19.390 17.283 ( -7.152 -18.320 0.000) 19.667 19.828 ( 13.491 1.628 0.000) 13.589 20.061 ( -10.955 5.895 0.000) 12.440 20.575 ( 12.014 -11.477 0.000) 16.615 20.741 ( -5.985 -7.979 0.000) 9.975 ======================= Grid point 35 (21/160) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( 0.000 31.876 0.000) 31.876 3.884 ( 0.000 28.981 0.000) 28.981 4.249 ( 0.000 22.498 0.000) 22.498 4.827 ( 0.000 -3.958 0.000) 3.958 5.327 ( 0.000 23.430 0.000) 23.430 5.537 ( 0.000 14.920 0.000) 14.920 6.042 ( 0.000 8.894 0.000) 8.894 6.967 ( 0.000 5.322 0.000) 5.322 7.066 ( 0.000 10.662 0.000) 10.662 7.275 ( 0.000 -29.406 0.000) 29.406 7.462 ( 0.000 -11.729 0.000) 11.729 8.303 ( 0.000 -32.174 0.000) 32.174 8.682 ( 0.000 26.298 0.000) 26.298 9.451 ( 0.000 7.152 0.000) 7.152 10.073 ( 0.000 -5.401 0.000) 5.401 10.346 ( 0.000 -5.780 0.000) 5.780 10.445 ( 0.000 8.001 0.000) 8.001 10.532 ( 0.000 17.386 0.000) 17.386 10.733 ( 0.000 16.191 0.000) 16.191 11.579 ( 0.000 -21.779 0.000) 21.779 12.543 ( 0.000 -8.158 0.000) 8.158 12.892 ( 0.000 11.768 0.000) 11.768 12.948 ( 0.000 12.890 0.000) 12.890 13.906 ( 0.000 -13.693 0.000) 13.693 14.098 ( 0.000 -10.291 0.000) 10.291 15.021 ( 0.000 -11.906 0.000) 11.906 15.071 ( 0.000 9.380 0.000) 9.380 15.790 ( 0.000 7.342 0.000) 7.342 16.247 ( 0.000 10.689 0.000) 10.689 16.470 ( 0.000 -11.684 0.000) 11.684 16.566 ( 0.000 -8.051 0.000) 8.051 16.795 ( 0.000 -19.204 0.000) 19.204 19.041 ( 0.000 -10.189 0.000) 10.189 19.609 ( 0.000 -13.518 0.000) 13.518 20.517 ( 0.000 6.985 0.000) 6.985 20.784 ( 0.000 -3.371 0.000) 3.371 ======================= Grid point 36 (22/160) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( 3.279 31.362 0.000) 31.533 3.881 ( 0.246 29.640 0.000) 29.642 4.228 ( -2.533 23.552 0.000) 23.687 4.736 ( -8.967 2.788 0.000) 9.390 5.333 ( 0.363 17.660 0.000) 17.664 5.550 ( -0.569 4.736 0.000) 4.770 6.065 ( 5.271 18.601 0.000) 19.333 6.979 ( 1.132 5.065 0.000) 5.190 7.085 ( 1.046 6.795 0.000) 6.875 7.402 ( 13.054 -26.886 0.000) 29.888 7.428 ( -3.929 -8.879 0.000) 9.710 8.313 ( 0.774 -31.318 0.000) 31.327 8.808 ( 13.032 25.803 0.000) 28.908 9.475 ( 2.653 7.958 0.000) 8.389 10.017 ( -5.850 -1.825 0.000) 6.128 10.354 ( 0.830 -5.907 0.000) 5.965 10.426 ( -1.836 7.053 0.000) 7.288 10.527 ( -0.388 17.887 0.000) 17.892 10.713 ( -2.380 14.094 0.000) 14.294 11.553 ( -3.472 -16.178 0.000) 16.547 12.564 ( 2.605 -6.040 0.000) 6.577 12.888 ( -0.031 7.373 0.000) 7.374 12.976 ( 2.877 8.860 0.000) 9.316 13.926 ( 1.978 -13.061 0.000) 13.210 13.963 ( -13.166 -8.254 0.000) 15.539 15.005 ( -1.329 -11.391 0.000) 11.468 15.060 ( -3.427 5.945 0.000) 6.862 15.666 ( -21.066 11.041 0.000) 23.784 15.972 ( -7.756 3.639 0.000) 8.567 16.439 ( -3.017 -8.798 0.000) 9.301 16.598 ( 3.034 -10.974 0.000) 11.386 16.962 ( 7.438 -18.088 0.000) 19.558 19.179 ( 13.845 -7.739 0.000) 15.861 19.739 ( 12.999 -13.260 0.000) 18.569 20.482 ( -3.919 6.469 0.000) 7.564 20.767 ( -1.843 -3.836 0.000) 4.256 ======================= Grid point 37 (23/160) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.685 ( 6.111 29.898 0.000) 30.516 3.916 ( 3.553 29.096 0.000) 29.312 4.153 ( -5.044 26.859 0.000) 27.328 4.527 ( -12.551 14.539 0.000) 19.207 5.337 ( 0.112 8.630 0.000) 8.630 5.482 ( -5.478 -3.741 0.000) 6.633 6.290 ( 17.520 24.700 0.000) 30.283 6.999 ( 0.567 4.561 0.000) 4.596 7.095 ( 0.173 2.897 0.000) 2.902 7.307 ( -8.993 -1.296 0.000) 9.086 7.703 ( 17.536 -24.644 0.000) 30.246 8.313 ( -1.516 -29.411 0.000) 29.451 9.135 ( 20.453 22.516 0.000) 30.419 9.558 ( 6.692 11.564 0.000) 13.361 9.872 ( -9.006 2.985 0.000) 9.488 10.356 ( -7.159 15.014 0.000) 16.633 10.378 ( 1.755 -6.301 0.000) 6.541 10.525 ( -0.660 14.516 0.000) 14.531 10.662 ( -0.306 6.796 0.000) 6.803 11.412 ( -12.286 -2.375 0.000) 12.513 12.661 ( 8.050 -1.490 0.000) 8.187 12.909 ( 2.391 -2.152 0.000) 3.217 13.049 ( 4.746 -1.446 0.000) 4.962 13.664 ( -17.550 -7.500 0.000) 19.085 13.974 ( 3.147 -9.829 0.000) 10.321 14.791 ( -25.693 5.464 0.000) 26.267 14.992 ( 0.498 -9.709 0.000) 9.722 15.296 ( -10.938 5.473 0.000) 12.231 15.998 ( 5.494 3.011 0.000) 6.265 16.363 ( -5.012 -5.074 0.000) 7.132 16.671 ( 4.730 -14.912 0.000) 15.644 16.989 ( -3.255 -21.221 0.000) 21.469 19.501 ( 19.060 -3.005 0.000) 19.295 20.042 ( 17.839 -12.582 0.000) 21.830 20.364 ( -8.885 5.188 0.000) 10.289 20.710 ( -4.571 -5.381 0.000) 7.061 ======================= Grid point 38 (24/160) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.817 ( 7.654 27.542 0.000) 28.586 3.944 ( -4.077 24.399 0.000) 24.737 4.120 ( 5.174 31.868 0.000) 32.285 4.295 ( -11.715 24.847 0.000) 27.470 5.346 ( 1.157 1.823 0.000) 2.159 5.390 ( -3.794 -2.462 0.000) 4.523 6.651 ( 19.471 19.004 0.000) 27.208 6.948 ( -9.332 8.524 0.000) 12.638 7.097 ( 0.237 2.234 0.000) 2.246 7.135 ( -6.045 3.966 0.000) 7.230 8.013 ( 14.733 -24.972 0.000) 28.994 8.229 ( -7.996 -26.993 0.000) 28.152 9.485 ( 14.539 10.747 0.000) 18.079 9.696 ( -9.769 5.313 0.000) 11.120 9.768 ( 16.836 23.105 0.000) 28.588 10.119 ( -17.689 25.991 0.000) 31.439 10.419 ( 2.625 -6.429 0.000) 6.944 10.475 ( -3.335 -2.691 0.000) 4.285 10.796 ( 13.593 11.392 0.000) 17.735 11.112 ( -18.355 8.874 0.000) 20.388 12.845 ( 10.035 3.589 0.000) 10.658 12.947 ( -0.144 -2.533 0.000) 2.537 13.152 ( 6.792 -15.666 0.000) 17.075 13.350 ( -14.801 -13.995 0.000) 20.370 14.065 ( 7.888 -1.688 0.000) 8.067 14.323 ( -20.533 5.628 0.000) 21.290 15.040 ( 4.649 -6.737 0.000) 8.186 15.151 ( -6.721 -2.048 0.000) 7.026 16.122 ( 7.186 1.203 0.000) 7.286 16.253 ( -6.655 -1.680 0.000) 6.864 16.772 ( 6.014 -18.669 0.000) 19.613 16.890 ( -6.364 -21.360 0.000) 22.288 19.851 ( 17.783 0.883 0.000) 17.805 20.150 ( -13.928 3.436 0.000) 14.346 20.357 ( 14.951 -10.761 0.000) 18.421 20.583 ( -9.278 -7.974 0.000) 12.234 ======================= Grid point 42 (25/160) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.141 ( 0.000 26.502 0.000) 26.502 4.398 ( 0.000 23.878 0.000) 23.878 4.711 ( 0.000 24.584 0.000) 24.584 4.773 ( 0.000 -1.861 0.000) 1.861 5.519 ( 0.000 -9.069 0.000) 9.069 5.758 ( 0.000 20.749 0.000) 20.749 6.390 ( 0.000 20.553 0.000) 20.553 6.614 ( 0.000 -34.404 0.000) 34.404 6.950 ( 0.000 -8.419 0.000) 8.419 7.168 ( 0.000 -2.114 0.000) 2.114 7.270 ( 0.000 -6.404 0.000) 6.404 7.715 ( 0.000 -25.929 0.000) 25.929 9.258 ( 0.000 31.606 0.000) 31.606 9.661 ( 0.000 13.342 0.000) 13.342 10.031 ( 0.000 2.253 0.000) 2.253 10.258 ( 0.000 -4.139 0.000) 4.139 10.518 ( 0.000 -1.446 0.000) 1.446 10.891 ( 0.000 17.048 0.000) 17.048 11.009 ( 0.000 11.582 0.000) 11.582 11.103 ( 0.000 -27.003 0.000) 27.003 12.467 ( 0.000 0.619 0.000) 0.619 13.008 ( 0.000 -7.541 0.000) 7.541 13.145 ( 0.000 13.788 0.000) 13.788 13.857 ( 0.000 9.268 0.000) 9.268 13.890 ( 0.000 -11.090 0.000) 11.090 14.769 ( 0.000 -13.921 0.000) 13.921 15.279 ( 0.000 12.167 0.000) 12.167 15.921 ( 0.000 4.611 0.000) 4.611 16.277 ( 0.000 -7.546 0.000) 7.546 16.385 ( 0.000 3.278 0.000) 3.278 16.400 ( 0.000 -8.558 0.000) 8.558 16.437 ( 0.000 -16.055 0.000) 16.055 18.908 ( 0.000 -3.023 0.000) 3.023 19.342 ( 0.000 -13.576 0.000) 13.576 20.613 ( 0.000 3.165 0.000) 3.165 20.724 ( 0.000 -2.649 0.000) 2.649 ======================= Grid point 43 (26/160) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.165 ( 2.529 26.303 0.000) 26.424 4.395 ( 0.051 23.443 0.000) 23.443 4.711 ( -0.267 25.473 0.000) 25.474 4.761 ( -1.173 0.474 0.000) 1.265 5.471 ( -4.445 -8.114 0.000) 9.252 5.706 ( -5.285 19.548 0.000) 20.250 6.476 ( 9.060 20.255 0.000) 22.189 6.670 ( 4.846 -33.966 0.000) 34.310 6.940 ( -1.070 -11.128 0.000) 11.179 7.249 ( 8.484 -2.700 0.000) 8.903 7.273 ( 0.134 -4.481 0.000) 4.483 7.757 ( 3.906 -23.732 0.000) 24.052 9.348 ( 9.023 28.778 0.000) 30.159 9.708 ( 5.383 15.091 0.000) 16.023 10.023 ( -1.106 3.788 0.000) 3.946 10.264 ( 0.614 -4.278 0.000) 4.322 10.489 ( -2.627 -0.673 0.000) 2.711 10.884 ( -0.654 16.841 0.000) 16.854 10.992 ( -2.185 12.249 0.000) 12.442 11.154 ( 4.818 -24.326 0.000) 24.799 12.488 ( 2.643 -0.605 0.000) 2.711 12.989 ( -1.977 -8.538 0.000) 8.764 13.085 ( -6.073 12.208 0.000) 13.635 13.787 ( -10.585 -9.855 0.000) 14.462 13.882 ( 2.811 8.832 0.000) 9.268 14.764 ( -0.229 -13.441 0.000) 13.442 15.219 ( -7.422 10.484 0.000) 12.846 15.874 ( -26.298 8.791 0.000) 27.729 15.969 ( -1.814 -2.979 0.000) 3.488 16.274 ( -0.357 -7.014 0.000) 7.023 16.403 ( 0.317 -9.053 0.000) 9.059 16.620 ( 2.170 -16.284 0.000) 16.428 19.083 ( 17.214 -1.761 0.000) 17.304 19.486 ( 14.203 -12.524 0.000) 18.936 20.571 ( -4.572 3.008 0.000) 5.473 20.699 ( -2.834 -3.102 0.000) 4.202 ======================= Grid point 44 (27/160) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.233 ( 4.555 25.590 0.000) 25.993 4.405 ( 0.735 21.902 0.000) 21.915 4.695 ( -1.229 26.990 0.000) 27.018 4.734 ( -1.622 6.698 0.000) 6.891 5.390 ( -3.341 -4.391 0.000) 5.517 5.580 ( -7.610 15.986 0.000) 17.705 6.705 ( 14.319 18.400 0.000) 23.315 6.758 ( 4.180 -31.230 0.000) 31.508 6.912 ( -1.856 -16.589 0.000) 16.692 7.260 ( -2.112 0.745 0.000) 2.239 7.460 ( 12.936 -5.913 0.000) 14.223 7.826 ( 2.501 -19.543 0.000) 19.702 9.544 ( 10.368 19.973 0.000) 22.504 9.890 ( 14.799 21.031 0.000) 25.716 9.975 ( -4.347 7.802 0.000) 8.931 10.284 ( 1.626 -4.194 0.000) 4.498 10.438 ( -2.717 -1.048 0.000) 2.912 10.853 ( -6.292 16.670 0.000) 17.818 10.937 ( 0.127 14.809 0.000) 14.809 11.241 ( 2.920 -15.334 0.000) 15.609 12.592 ( 9.060 -3.512 0.000) 9.717 12.935 ( -3.742 -11.020 0.000) 11.638 12.943 ( -8.020 6.176 0.000) 10.123 13.520 ( -17.177 -7.863 0.000) 18.891 13.968 ( 6.724 8.554 0.000) 10.880 14.782 ( 2.815 -11.976 0.000) 12.302 14.933 ( -23.448 9.388 0.000) 25.257 15.387 ( -19.542 2.749 0.000) 19.735 16.036 ( 4.873 1.235 0.000) 5.027 16.257 ( -1.637 -5.174 0.000) 5.427 16.414 ( 0.902 -11.043 0.000) 11.080 16.575 ( -4.812 -20.345 0.000) 20.906 19.470 ( 22.342 0.117 0.000) 22.342 19.814 ( 19.380 -10.710 0.000) 22.142 20.438 ( -9.814 2.729 0.000) 10.187 20.612 ( -6.682 -4.535 0.000) 8.075 ======================= Grid point 45 (28/160) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.325 ( 4.930 23.918 0.000) 24.421 4.397 ( -2.210 21.521 0.000) 21.634 4.683 ( 0.324 24.254 0.000) 24.257 4.704 ( -1.519 15.421 0.000) 15.496 5.369 ( 1.509 2.177 0.000) 2.649 5.445 ( -6.205 9.937 0.000) 11.715 6.823 ( 3.001 -26.193 0.000) 26.364 6.873 ( -2.351 -21.724 0.000) 21.851 6.972 ( 13.225 13.306 0.000) 18.760 7.172 ( -7.747 7.296 0.000) 10.641 7.687 ( 10.371 -10.463 0.000) 14.732 7.821 ( -3.586 -15.112 0.000) 15.532 9.716 ( 8.384 13.897 0.000) 16.230 9.864 ( -7.264 11.308 0.000) 13.440 10.238 ( 20.849 23.099 0.000) 31.116 10.325 ( 2.757 -3.419 0.000) 4.392 10.383 ( -3.186 -2.244 0.000) 3.897 10.611 ( -17.691 20.267 0.000) 26.902 11.046 ( 9.467 11.225 0.000) 14.684 11.213 ( -6.289 -0.351 0.000) 6.299 12.831 ( 15.158 -4.514 0.000) 15.816 12.838 ( -2.182 -4.574 0.000) 5.067 12.862 ( -2.439 -12.852 0.000) 13.082 13.173 ( -19.247 -6.916 0.000) 20.452 14.149 ( 13.171 9.441 0.000) 16.206 14.477 ( -22.097 10.217 0.000) 24.345 14.887 ( 8.594 -9.325 0.000) 12.681 15.095 ( -13.261 -4.372 0.000) 13.963 16.130 ( 4.840 -0.181 0.000) 4.843 16.209 ( -3.513 -2.529 0.000) 4.329 16.440 ( 1.956 -14.528 0.000) 14.659 16.491 ( -3.664 -18.446 0.000) 18.807 19.872 ( 19.997 1.540 0.000) 20.057 20.164 ( 17.269 -8.842 0.000) 19.401 20.203 ( -15.257 2.348 0.000) 15.437 20.440 ( -11.964 -6.669 0.000) 13.697 ======================= Grid point 49 (29/160) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.553 ( 0.000 14.917 0.000) 14.917 4.726 ( 0.000 -4.140 0.000) 4.140 4.815 ( 0.000 18.856 0.000) 18.856 5.067 ( 0.000 0.289 0.000) 0.289 5.441 ( 0.000 13.526 0.000) 13.526 5.959 ( 0.000 -32.167 0.000) 32.167 6.160 ( 0.000 21.734 0.000) 21.734 6.616 ( 0.000 -23.557 0.000) 23.557 6.753 ( 0.000 16.578 0.000) 16.578 7.029 ( 0.000 -11.347 0.000) 11.347 7.240 ( 0.000 2.960 0.000) 2.960 7.368 ( 0.000 -10.585 0.000) 10.585 9.877 ( 0.000 29.795 0.000) 29.795 9.922 ( 0.000 12.185 0.000) 12.185 10.160 ( 0.000 -4.837 0.000) 4.837 10.161 ( 0.000 10.390 0.000) 10.390 10.386 ( 0.000 -10.929 0.000) 10.929 10.538 ( 0.000 -30.567 0.000) 30.567 11.138 ( 0.000 7.507 0.000) 7.507 11.169 ( 0.000 4.091 0.000) 4.091 12.560 ( 0.000 8.448 0.000) 8.448 12.777 ( 0.000 -13.125 0.000) 13.125 13.414 ( 0.000 13.539 0.000) 13.539 13.664 ( 0.000 -12.201 0.000) 12.201 14.144 ( 0.000 17.366 0.000) 17.366 14.476 ( 0.000 -16.255 0.000) 16.255 15.547 ( 0.000 15.290 0.000) 15.290 15.844 ( 0.000 -13.128 0.000) 13.128 16.197 ( 0.000 -0.432 0.000) 0.432 16.254 ( 0.000 -5.830 0.000) 5.830 16.297 ( 0.000 2.283 0.000) 2.283 16.378 ( 0.000 -3.488 0.000) 3.488 18.932 ( 0.000 5.312 0.000) 5.312 19.097 ( 0.000 -11.134 0.000) 11.134 20.655 ( 0.000 1.476 0.000) 1.476 20.683 ( 0.000 -1.655 0.000) 1.655 ======================= Grid point 50 (30/160) ======================= q-point: ( 0.14 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.576 ( 2.336 14.882 0.000) 15.065 4.743 ( 1.714 -3.401 0.000) 3.809 4.799 ( -1.338 18.008 0.000) 18.058 5.046 ( -2.218 -1.833 0.000) 2.877 5.457 ( 1.883 17.859 0.000) 17.958 6.008 ( 4.565 -32.876 0.000) 33.192 6.098 ( -6.146 21.732 0.000) 22.584 6.561 ( -5.239 -24.503 0.000) 25.057 6.834 ( 8.188 16.300 0.000) 18.241 7.107 ( 7.928 -11.346 0.000) 13.842 7.280 ( 3.769 4.422 0.000) 5.810 7.428 ( 5.572 -11.096 0.000) 12.417 9.858 ( 0.534 20.097 0.000) 20.105 10.037 ( 8.377 13.352 0.000) 15.762 10.170 ( 0.632 10.553 0.000) 10.572 10.178 ( 3.420 1.897 0.000) 3.911 10.383 ( -0.516 -9.646 0.000) 9.660 10.632 ( 9.304 -28.489 0.000) 29.970 11.129 ( -0.793 7.492 0.000) 7.534 11.159 ( -0.990 4.203 0.000) 4.318 12.552 ( -0.445 7.140 0.000) 7.154 12.754 ( -2.394 -12.823 0.000) 13.044 13.337 ( -8.094 13.057 0.000) 15.362 13.578 ( -8.987 -11.623 0.000) 14.692 14.156 ( 1.593 16.738 0.000) 16.813 14.479 ( 0.644 -15.856 0.000) 15.869 15.465 ( -9.764 14.430 0.000) 17.423 15.751 ( -13.905 -13.756 0.000) 19.560 16.115 ( -8.730 11.343 0.000) 14.314 16.198 ( 0.080 -0.427 0.000) 0.434 16.254 ( -0.028 -5.774 0.000) 5.774 16.343 ( -5.748 -12.472 0.000) 13.733 19.115 ( 17.807 4.954 0.000) 18.483 19.264 ( 16.260 -9.940 0.000) 19.057 20.614 ( -4.470 1.696 0.000) 4.781 20.648 ( -3.771 -2.080 0.000) 4.307 ======================= Grid point 51 (31/160) ======================= q-point: ( 0.29 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.635 ( 3.757 14.571 0.000) 15.047 4.776 ( -1.093 15.973 0.000) 16.011 4.787 ( 2.884 -1.709 0.000) 3.352 4.990 ( -3.581 -2.716 0.000) 4.494 5.516 ( 4.401 23.350 0.000) 23.761 5.951 ( -9.062 22.444 0.000) 24.204 6.106 ( 5.615 -33.647 0.000) 34.112 6.446 ( -6.544 -27.237 0.000) 28.012 7.030 ( 11.808 15.281 0.000) 19.312 7.295 ( 11.132 -11.474 0.000) 15.986 7.349 ( 2.625 7.363 0.000) 7.817 7.533 ( 4.614 -11.693 0.000) 12.570 9.902 ( 3.917 15.998 0.000) 16.471 10.139 ( 3.416 -7.314 0.000) 8.073 10.166 ( -1.658 10.957 0.000) 11.082 10.357 ( -2.444 -7.523 0.000) 7.910 10.370 ( 15.759 23.351 0.000) 28.171 10.848 ( 12.664 -23.753 0.000) 26.918 11.105 ( -3.350 8.229 0.000) 8.885 11.140 ( -0.002 4.894 0.000) 4.894 12.571 ( 3.559 2.301 0.000) 4.238 12.701 ( -2.566 -10.722 0.000) 11.025 13.124 ( -13.960 11.291 0.000) 17.954 13.343 ( -15.715 -10.474 0.000) 18.886 14.220 ( 5.718 15.401 0.000) 16.428 14.521 ( 4.437 -14.834 0.000) 15.483 15.151 ( -23.059 12.245 0.000) 26.109 15.354 ( -23.379 -6.860 0.000) 24.365 16.080 ( 2.087 4.472 0.000) 4.936 16.196 ( -0.446 -0.411 0.000) 0.606 16.244 ( -3.365 -12.802 0.000) 13.237 16.250 ( -0.551 -5.757 0.000) 5.783 19.512 ( 22.773 4.191 0.000) 23.155 19.631 ( 21.347 -7.934 0.000) 22.773 20.484 ( -9.566 2.299 0.000) 9.838 20.536 ( -8.424 -3.248 0.000) 9.029 ======================= Grid point 52 (32/160) ======================= q-point: ( 0.43 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 265 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.704 ( 3.327 13.996 0.000) 14.386 4.751 ( -1.747 14.245 0.000) 14.352 4.848 ( 3.605 -0.487 0.000) 3.638 4.919 ( -3.905 -1.157 0.000) 4.073 5.623 ( 7.142 25.026 0.000) 26.025 5.778 ( -9.113 23.998 0.000) 25.670 6.213 ( 5.830 -32.953 0.000) 33.465 6.326 ( -6.265 -30.552 0.000) 31.188 7.235 ( 9.200 13.297 0.000) 16.170 7.351 ( -2.902 10.499 0.000) 10.893 7.482 ( 7.987 -11.719 0.000) 14.182 7.570 ( -1.213 -11.873 0.000) 11.934 9.995 ( 5.712 13.554 0.000) 14.709 10.100 ( -5.072 11.945 0.000) 12.978 10.209 ( 4.267 -8.112 0.000) 9.166 10.292 ( -4.278 -7.228 0.000) 8.399 10.690 ( 17.135 21.797 0.000) 27.726 10.967 ( -11.530 15.077 0.000) 18.981 11.060 ( 8.759 -14.860 0.000) 17.250 11.147 ( -0.868 -2.181 0.000) 2.347 12.692 ( 4.884 -3.118 0.000) 5.794 12.727 ( 11.389 -5.241 0.000) 12.537 12.857 ( -13.012 6.191 0.000) 14.410 13.020 ( -17.834 -8.950 0.000) 19.954 14.389 ( 12.883 14.237 0.000) 19.200 14.666 ( 11.476 -13.348 0.000) 17.603 14.711 ( -21.445 13.204 0.000) 25.184 14.953 ( -18.979 -10.509 0.000) 21.695 16.133 ( 2.906 1.258 0.000) 3.166 16.177 ( -1.701 -0.048 0.000) 1.701 16.220 ( 0.219 -8.807 0.000) 8.810 16.234 ( -1.002 -6.456 0.000) 6.533 19.920 ( 20.249 3.612 0.000) 20.569 20.017 ( 19.132 -6.307 0.000) 20.144 20.253 ( -15.154 3.020 0.000) 15.451 20.328 ( -13.965 -4.778 0.000) 14.760 ======================= Grid point 105 (33/160) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 0.000 0.000 32.677) 32.677 0.802 ( 0.000 0.000 38.814) 38.814 1.549 ( 0.000 0.000 73.281) 73.281 3.303 ( 0.000 0.000 30.214) 30.214 3.680 ( 0.000 0.000 3.511) 3.511 4.854 ( 0.000 0.000 -6.596) 6.596 4.974 ( 0.000 0.000 -5.419) 5.419 5.830 ( 0.000 0.000 -0.129) 0.129 5.988 ( 0.000 0.000 -20.992) 20.992 6.279 ( 0.000 0.000 20.978) 20.978 6.933 ( 0.000 0.000 -1.291) 1.291 8.856 ( 0.000 0.000 4.037) 4.037 9.353 ( 0.000 0.000 0.683) 0.683 9.734 ( 0.000 0.000 17.529) 17.529 10.189 ( 0.000 0.000 16.932) 16.932 10.372 ( 0.000 0.000 -8.669) 8.669 10.380 ( 0.000 0.000 -8.444) 8.444 10.453 ( 0.000 0.000 12.186) 12.186 11.521 ( 0.000 0.000 1.584) 1.584 11.774 ( 0.000 0.000 -1.340) 1.340 12.536 ( 0.000 0.000 -6.516) 6.516 12.728 ( 0.000 0.000 6.295) 6.295 14.004 ( 0.000 0.000 7.439) 7.439 14.496 ( 0.000 0.000 -1.991) 1.991 14.964 ( 0.000 0.000 3.891) 3.891 15.233 ( 0.000 0.000 -0.110) 0.110 15.296 ( 0.000 0.000 -15.688) 15.688 15.731 ( 0.000 0.000 -4.702) 4.702 15.898 ( 0.000 0.000 -1.711) 1.711 15.956 ( 0.000 0.000 -2.482) 2.482 17.241 ( 0.000 0.000 1.923) 1.923 17.883 ( 0.000 0.000 -0.371) 0.371 19.271 ( 0.000 0.000 0.617) 0.617 20.004 ( 0.000 0.000 1.370) 1.370 20.899 ( 0.000 0.000 -1.134) 1.134 20.928 ( 0.000 0.000 -3.884) 3.884 ======================= Grid point 106 (34/160) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 23.414 0.000 23.930) 33.479 1.161 ( 31.768 0.000 25.560) 40.774 1.953 ( 38.016 0.000 56.519) 68.114 3.216 ( -8.881 0.000 30.607) 31.869 3.598 ( -8.724 0.000 3.580) 9.430 4.865 ( 1.111 0.000 -6.386) 6.482 4.971 ( -0.342 0.000 -5.407) 5.418 5.577 ( -18.474 0.000 -12.409) 22.255 5.987 ( -2.760 0.000 1.671) 3.226 6.561 ( 14.826 0.000 0.779) 14.846 6.858 ( 0.633 0.000 7.637) 7.663 8.780 ( -8.262 0.000 4.676) 9.493 9.400 ( 4.999 0.000 0.495) 5.024 9.914 ( 11.338 0.000 3.085) 11.750 10.193 ( 0.889 0.000 16.784) 16.808 10.325 ( -4.983 0.000 -7.812) 9.266 10.412 ( 2.815 0.000 -7.327) 7.849 10.486 ( 3.023 0.000 10.419) 10.849 11.517 ( -0.322 0.000 1.142) 1.187 11.732 ( -4.089 0.000 -1.292) 4.288 12.238 ( -19.634 0.000 11.929) 22.974 12.597 ( -16.500 0.000 9.372) 18.976 14.074 ( 7.110 0.000 7.075) 10.030 14.327 ( 2.587 0.000 22.991) 23.137 14.928 ( -3.765 0.000 3.982) 5.480 15.121 ( -4.935 0.000 -7.059) 8.613 15.317 ( 1.362 0.000 -14.061) 14.127 15.741 ( 1.029 0.000 -4.525) 4.641 15.891 ( -0.761 0.000 -1.841) 1.991 16.234 ( 6.873 0.000 -15.617) 17.062 17.324 ( 8.941 0.000 -0.067) 8.942 17.899 ( 1.337 0.000 -0.256) 1.361 19.300 ( 2.894 0.000 0.823) 3.009 19.855 ( -9.705 0.000 11.074) 14.724 20.820 ( -0.009 0.000 -10.551) 10.551 21.102 ( 4.711 0.000 -7.205) 8.608 ======================= Grid point 107 (35/160) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 29.288 0.000 21.187) 36.148 1.812 ( 35.524 0.000 14.249) 38.275 2.716 ( 25.866 0.000 31.596) 40.833 3.045 ( 5.154 0.000 31.933) 32.347 3.358 ( -16.955 0.000 4.071) 17.437 4.891 ( 1.563 0.000 -5.964) 6.166 4.961 ( -0.709 0.000 -5.394) 5.441 5.181 ( -25.370 0.000 -10.876) 27.603 5.939 ( -0.691 0.000 3.625) 3.690 6.451 ( -14.549 0.000 -6.599) 15.976 7.241 ( 28.405 0.000 14.182) 31.748 8.556 ( -15.440 0.000 6.879) 16.903 9.536 ( 9.366 0.000 -0.124) 9.367 10.045 ( 3.998 0.000 3.621) 5.394 10.187 ( -9.668 0.000 -5.651) 11.198 10.216 ( 0.420 0.000 16.465) 16.471 10.468 ( 3.069 0.000 -7.222) 7.848 10.536 ( 1.859 0.000 8.443) 8.645 11.513 ( 0.032 0.000 0.102) 0.107 11.643 ( -4.794 0.000 -1.268) 4.959 11.980 ( -7.804 0.000 14.615) 16.568 12.267 ( -16.212 0.000 11.843) 20.077 14.249 ( 10.942 0.000 6.274) 12.613 14.562 ( 16.503 0.000 14.037) 21.666 14.825 ( -7.175 0.000 4.268) 8.349 15.040 ( -4.173 0.000 -8.032) 9.052 15.372 ( 5.564 0.000 -13.469) 14.573 15.767 ( 1.734 0.000 -4.054) 4.409 15.870 ( -1.417 0.000 -2.212) 2.627 16.154 ( -11.894 0.000 -7.499) 14.061 17.533 ( 12.139 0.000 -2.268) 12.349 17.915 ( -0.100 0.000 -0.365) 0.379 19.371 ( 4.565 0.000 1.687) 4.867 19.702 ( -7.149 0.000 9.778) 12.113 20.856 ( 3.300 0.000 -11.855) 12.306 21.105 ( -3.024 0.000 -7.202) 7.811 ======================= Grid point 108 (36/160) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 28.965 0.000 23.778) 37.475 2.443 ( 31.367 0.000 8.530) 32.506 2.490 ( -24.598 0.000 26.982) 36.512 2.968 ( -24.643 0.000 5.517) 25.253 3.776 ( 46.826 0.000 16.528) 49.657 4.585 ( -38.411 0.000 1.265) 38.432 4.920 ( 1.450 0.000 -5.618) 5.802 4.944 ( -1.101 0.000 -5.440) 5.551 5.998 ( 7.016 0.000 -1.574) 7.190 6.187 ( -12.736 0.000 -5.315) 13.800 7.761 ( 26.405 0.000 12.781) 29.335 8.210 ( -21.416 0.000 9.987) 23.630 9.741 ( 12.210 0.000 -1.315) 12.280 9.976 ( -12.460 0.000 -3.214) 12.868 10.113 ( 3.812 0.000 9.178) 9.938 10.185 ( -3.368 0.000 14.082) 14.479 10.522 ( 2.469 0.000 -3.123) 3.981 10.550 ( -0.391 0.000 3.871) 3.891 11.525 ( 1.334 0.000 -0.833) 1.573 11.567 ( -3.218 0.000 -1.223) 3.443 11.926 ( 1.520 0.000 11.590) 11.689 12.027 ( -9.240 0.000 11.232) 14.544 14.462 ( 11.472 0.000 5.444) 12.698 14.664 ( -9.911 0.000 4.759) 10.995 14.820 ( 10.058 0.000 2.704) 10.415 14.955 ( -5.287 0.000 -4.850) 7.174 15.559 ( 14.470 0.000 -8.576) 16.820 15.803 ( 2.000 0.000 -3.423) 3.964 15.839 ( -1.865 0.000 -2.769) 3.338 15.869 ( -17.207 0.000 -5.025) 17.926 17.742 ( 9.590 0.000 -2.271) 9.856 17.876 ( -4.522 0.000 -1.278) 4.700 19.466 ( 5.540 0.000 3.817) 6.727 19.577 ( -6.330 0.000 6.808) 9.296 20.932 ( 4.686 0.000 -9.945) 10.994 21.025 ( -4.988 0.000 -8.118) 9.528 ======================= Grid point 112 (37/160) ======================= q-point: ( 0.00 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.000 35.153 18.783) 39.857 1.319 ( 0.000 33.710 30.254) 45.295 1.929 ( 0.000 40.382 52.654) 66.356 3.330 ( 0.000 4.429 27.904) 28.253 3.801 ( 0.000 11.230 3.933) 11.898 4.911 ( 0.000 4.578 -5.519) 7.171 5.137 ( 0.000 16.571 -6.248) 17.710 5.909 ( 0.000 7.878 -0.032) 7.878 5.975 ( 0.000 0.779 -19.725) 19.740 6.398 ( 0.000 12.394 19.075) 22.748 7.007 ( 0.000 7.999 -1.998) 8.245 8.934 ( 0.000 7.378 2.423) 7.766 9.676 ( 0.000 -5.713 18.663) 19.518 9.935 ( 0.000 11.943 -10.277) 15.756 10.208 ( 0.000 -11.148 -6.435) 12.872 10.284 ( 0.000 -1.919 20.972) 21.059 10.448 ( 0.000 1.591 -8.232) 8.384 10.622 ( 0.000 29.305 -27.212) 39.991 11.394 ( 0.000 -12.115 1.990) 12.277 11.712 ( 0.000 -3.984 -3.412) 5.246 12.528 ( 0.000 -0.818 -6.303) 6.356 12.771 ( 0.000 1.869 8.829) 9.025 13.830 ( 0.000 -15.959 5.654) 16.931 14.534 ( 0.000 3.519 -1.796) 3.951 14.905 ( 0.000 -33.945 6.717) 34.603 15.054 ( 0.000 8.816 1.936) 9.026 15.299 ( 0.000 -3.663 -12.258) 12.794 15.315 ( 0.000 6.894 2.088) 7.203 15.767 ( 0.000 -11.756 2.507) 12.020 16.517 ( 0.000 18.423 -10.344) 21.128 17.211 ( 0.000 -3.122 2.154) 3.793 17.899 ( 0.000 -0.766 1.529) 1.710 19.391 ( 0.000 11.610 -0.195) 11.612 19.948 ( 0.000 -5.720 1.275) 5.860 20.547 ( 0.000 -21.729 10.121) 23.970 20.921 ( 0.000 -0.731 -4.070) 4.136 ======================= Grid point 113 (38/160) ======================= q-point: ( 0.14 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 11.296 26.224 19.788) 34.740 1.515 ( 17.644 23.976 32.578) 44.130 2.368 ( 38.283 39.076 36.340) 65.675 3.261 ( -7.287 5.459 28.698) 30.108 3.702 ( -10.318 9.898 3.925) 14.827 4.921 ( 0.946 4.649 -5.356) 7.155 5.131 ( -0.742 16.190 -6.171) 17.342 5.648 ( -15.992 8.174 -12.836) 22.075 5.990 ( -2.556 1.787 2.080) 3.748 6.676 ( 12.696 11.694 0.929) 17.286 6.933 ( 1.539 7.820 7.239) 10.767 8.863 ( -7.616 8.111 3.423) 11.640 9.538 ( -8.333 1.413 11.340) 14.143 9.996 ( 1.706 -2.180 -3.727) 4.643 10.205 ( 1.004 -8.318 6.566) 10.644 10.301 ( -0.016 1.779 8.956) 9.131 10.388 ( -2.865 -1.101 -6.901) 7.552 10.667 ( 1.876 22.624 -17.269) 28.523 11.391 ( -0.408 -12.047 1.330) 12.128 11.656 ( -5.329 -6.024 -1.887) 8.261 12.226 ( -18.789 -1.077 10.904) 21.751 12.718 ( -13.554 10.217 5.378) 17.805 13.895 ( 6.812 -16.277 5.156) 18.383 14.292 ( 0.082 -4.020 20.215) 20.611 14.941 ( -5.322 0.206 2.831) 6.031 15.142 ( 1.671 -0.421 -11.165) 11.297 15.317 ( 1.844 -1.052 -12.321) 12.503 15.425 ( 9.372 -12.537 -1.494) 15.724 15.762 ( -0.478 -11.147 2.291) 11.390 16.474 ( -6.026 11.943 -7.841) 15.506 17.305 ( 9.301 -2.354 0.448) 9.605 17.909 ( 0.848 -0.424 0.842) 1.268 19.416 ( 2.460 11.192 -0.082) 11.460 19.834 ( -7.400 -2.537 7.214) 10.642 20.708 ( 9.237 -12.503 -8.760) 17.843 20.975 ( 4.724 -6.167 -2.398) 8.130 ======================= Grid point 114 (39/160) ======================= q-point: ( 0.29 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 28.622 12.980 14.017) 34.412 1.938 ( 26.648 12.444 28.007) 40.612 2.935 ( -5.292 13.786 26.409) 30.257 3.257 ( 25.863 23.111 19.188) 39.638 3.448 ( -10.516 11.714 9.410) 18.340 4.935 ( -0.145 4.604 -4.980) 6.784 5.106 ( -1.865 14.151 -5.846) 15.424 5.352 ( -17.276 15.855 -12.801) 26.715 5.941 ( -0.933 1.594 4.468) 4.835 6.503 ( -17.124 5.922 -5.891) 19.053 7.345 ( 28.852 10.637 13.755) 33.687 8.652 ( -14.817 9.646 6.222) 18.743 9.475 ( 1.981 -4.552 6.960) 8.548 9.946 ( -6.543 -11.729 -0.908) 13.461 10.250 ( 2.703 -4.548 16.695) 17.513 10.258 ( -2.348 7.703 1.372) 8.169 10.399 ( 2.448 -7.432 -3.612) 8.618 10.645 ( -4.036 13.830 -4.843) 15.199 11.384 ( 0.083 -12.229 0.060) 12.229 11.552 ( -5.078 -8.527 -0.955) 9.970 11.996 ( -5.787 2.059 12.258) 13.711 12.393 ( -17.387 11.968 8.975) 22.937 14.073 ( 11.551 -15.669 3.956) 19.864 14.499 ( 15.243 -6.509 12.598) 20.818 14.799 ( -8.337 -2.272 3.041) 9.160 15.112 ( -3.635 4.982 -7.215) 9.491 15.372 ( 4.217 -1.953 -11.876) 12.753 15.551 ( 3.741 -15.729 -4.747) 16.851 15.760 ( 0.924 -7.352 1.329) 7.528 16.291 ( -12.655 8.353 -3.908) 15.659 17.513 ( 11.859 -2.543 -1.136) 12.182 17.914 ( -0.835 -0.814 0.020) 1.166 19.475 ( 3.628 9.884 0.614) 10.547 19.717 ( -5.343 1.001 6.986) 8.852 20.829 ( 4.915 -3.384 -12.609) 13.950 21.028 ( 0.150 -6.504 -5.231) 8.347 ======================= Grid point 115 (40/160) ======================= q-point: ( 0.43 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 28.946 10.430 17.532) 35.412 2.459 ( 23.846 4.409 17.670) 30.005 2.599 ( -18.965 9.861 24.313) 32.374 2.994 ( -25.370 3.314 8.475) 26.953 4.087 ( 42.195 28.753 11.079) 52.249 4.765 ( -26.138 15.835 -0.952) 30.575 5.071 ( -1.588 11.947 -5.677) 13.322 5.075 ( -4.883 15.959 -6.185) 17.798 5.999 ( 7.297 1.155 -0.553) 7.408 6.202 ( -14.000 2.219 -4.379) 14.836 7.868 ( 26.388 10.966 12.549) 31.210 8.315 ( -21.137 10.633 9.754) 25.592 9.588 ( 9.109 -10.654 3.300) 14.400 9.779 ( -10.462 -13.166 0.978) 16.845 10.247 ( 0.987 5.437 7.992) 9.716 10.271 ( -0.661 0.592 16.296) 16.320 10.459 ( 4.051 -5.613 -4.426) 8.216 10.548 ( -5.416 2.406 -0.931) 5.999 11.407 ( 2.402 -11.050 -0.844) 11.339 11.468 ( -3.996 -9.366 -1.228) 10.257 11.983 ( 3.761 6.002 9.314) 11.702 12.123 ( -11.112 9.533 8.655) 17.007 14.306 ( 12.937 -13.347 3.168) 18.856 14.537 ( -10.827 -9.588 3.170) 14.806 14.842 ( 11.415 -1.443 3.693) 12.084 15.015 ( -6.908 3.246 -3.007) 8.203 15.472 ( 5.945 -8.952 -7.423) 13.061 15.560 ( -2.656 -15.918 -4.172) 16.668 15.833 ( 7.626 2.354 -1.515) 8.123 16.038 ( -13.395 7.787 -2.623) 15.715 17.720 ( 9.749 -2.606 -1.395) 10.187 17.861 ( -5.142 -1.881 -0.817) 5.536 19.547 ( 4.046 7.574 2.487) 8.940 19.626 ( -4.517 4.434 4.995) 8.063 20.915 ( 4.447 -1.963 -10.295) 11.385 20.992 ( -3.487 -3.330 -7.912) 9.266 ======================= Grid point 119 (41/160) ======================= q-point: ( 0.00 0.13 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.000 39.519 9.308) 40.600 1.911 ( 0.000 29.291 30.417) 42.227 2.929 ( 0.000 55.146 23.982) 60.135 3.485 ( 0.000 11.789 23.090) 25.925 4.089 ( 0.000 17.826 4.256) 18.327 4.983 ( 0.000 1.928 -4.549) 4.941 5.575 ( 0.000 26.897 -6.582) 27.691 6.005 ( 0.000 1.503 -14.985) 15.061 6.126 ( 0.000 14.054 -0.170) 14.055 6.754 ( 0.000 23.543 14.168) 27.477 7.239 ( 0.000 15.151 -4.432) 15.786 9.062 ( 0.000 1.104 -2.993) 3.190 9.563 ( 0.000 -3.235 23.222) 23.446 9.955 ( 0.000 -13.401 -3.179) 13.773 9.973 ( 0.000 -3.025 14.748) 15.055 10.101 ( 0.000 -12.004 10.071) 15.669 10.453 ( 0.000 -0.558 -4.819) 4.852 10.924 ( 0.000 -2.739 -18.619) 18.819 11.102 ( 0.000 -16.564 2.703) 16.783 11.763 ( 0.000 10.734 -13.706) 17.409 12.513 ( 0.000 -0.308 -6.037) 6.044 12.719 ( 0.000 -7.485 16.252) 17.893 13.464 ( 0.000 -20.149 3.045) 20.378 14.472 ( 0.000 -13.015 -6.515) 14.555 14.619 ( 0.000 4.991 -2.321) 5.505 15.155 ( 0.000 -13.576 -9.595) 16.624 15.253 ( 0.000 8.900 -3.062) 9.412 15.466 ( 0.000 9.456 6.834) 11.667 15.551 ( 0.000 -7.107 3.644) 7.987 16.719 ( 0.000 4.735 -4.057) 6.236 17.119 ( 0.000 -6.339 2.814) 6.935 17.811 ( 0.000 -8.088 7.509) 11.037 19.679 ( 0.000 16.712 -2.120) 16.846 19.787 ( 0.000 -10.592 0.917) 10.632 20.223 ( 0.000 -12.851 0.345) 12.856 20.899 ( 0.000 -1.521 -4.369) 4.626 ======================= Grid point 120 (42/160) ======================= q-point: ( 0.14 0.13 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 0.109 39.233 11.480) 40.878 2.008 ( 10.059 26.856 30.532) 41.888 3.231 ( 20.543 39.301 18.585) 48.083 3.468 ( 3.905 21.500 22.954) 31.692 3.962 ( -12.385 16.721 4.841) 21.364 5.009 ( 2.334 3.593 -4.269) 6.048 5.542 ( -4.562 23.209 -6.728) 24.591 5.840 ( -9.913 9.822 -12.254) 18.571 6.117 ( -1.602 12.772 0.931) 12.906 6.995 ( 5.217 20.054 -0.462) 20.727 7.166 ( 6.859 16.033 7.464) 18.968 9.028 ( -3.893 4.467 -2.080) 6.280 9.488 ( -6.893 -2.334 21.400) 22.604 9.876 ( -6.503 -9.124 -2.674) 11.519 10.013 ( 2.539 -8.996 15.712) 18.283 10.117 ( 1.544 -13.997 7.438) 15.926 10.395 ( -4.858 -1.371 -3.741) 6.283 10.963 ( 2.755 -0.445 -14.886) 15.145 11.111 ( 0.318 -14.668 0.426) 14.677 11.628 ( -14.177 6.149 -8.150) 17.470 12.216 ( -14.676 0.914 8.708) 17.090 12.879 ( -0.135 3.889 2.383) 4.563 13.529 ( 6.740 -19.664 2.095) 20.893 14.183 ( -6.204 -5.941 6.364) 10.691 14.910 ( 8.148 -2.231 -7.183) 11.089 15.098 ( -4.346 -7.037 -7.704) 11.303 15.235 ( -0.252 -2.708 -1.990) 3.370 15.366 ( -6.288 -1.855 4.315) 7.849 15.606 ( 4.169 -0.466 2.400) 4.833 16.622 ( -9.024 3.939 -2.570) 10.176 17.223 ( 9.359 -6.155 1.628) 11.319 17.844 ( 2.252 -6.487 4.503) 8.211 19.686 ( 0.443 13.146 -1.755) 13.270 19.751 ( -1.780 -3.903 2.263) 4.850 20.424 ( 16.281 -14.642 -6.526) 22.849 20.906 ( 0.709 -2.410 -4.096) 4.805 ======================= Grid point 121 (43/160) ======================= q-point: ( 0.29 0.13 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 18.216 30.405 10.322) 36.916 2.271 ( 17.627 21.095 29.198) 40.102 3.190 ( -13.296 14.121 24.951) 31.603 3.565 ( -19.589 12.531 1.651) 23.313 4.066 ( 36.200 42.782 14.074) 57.782 5.055 ( 2.312 6.792 -4.044) 8.236 5.405 ( -7.949 12.391 -7.019) 16.310 5.728 ( -4.891 22.333 -13.417) 26.508 6.081 ( -1.404 14.453 3.408) 14.915 6.700 ( -22.329 14.318 -2.165) 26.613 7.644 ( 29.840 19.430 11.461) 37.407 8.897 ( -10.833 13.040 1.877) 17.056 9.372 ( -3.574 -5.234 14.922) 16.213 9.724 ( -9.476 -10.598 -1.272) 14.273 10.066 ( 3.015 -12.114 17.146) 21.209 10.151 ( 1.632 -15.053 4.534) 15.806 10.325 ( -1.134 -1.886 -1.008) 2.420 10.935 ( -10.134 10.822 -7.554) 16.640 11.096 ( 0.521 -15.861 -0.113) 15.870 11.365 ( -9.576 -8.588 0.936) 12.897 12.083 ( -0.564 7.475 6.268) 9.771 12.671 ( -16.923 14.726 3.416) 22.692 13.723 ( 13.645 -18.941 0.718) 23.355 14.317 ( 15.039 -11.897 6.816) 20.351 14.736 ( -16.566 -4.691 0.084) 17.218 15.131 ( -3.057 -5.508 -6.407) 8.985 15.233 ( 1.759 -13.951 -1.253) 14.117 15.303 ( 0.225 -3.800 -1.931) 4.269 15.717 ( 8.202 2.994 0.315) 8.737 16.415 ( -12.656 4.319 -1.191) 13.425 17.423 ( 11.374 -6.831 0.580) 13.281 17.857 ( -1.387 -5.529 1.516) 5.899 19.690 ( 0.393 5.078 0.337) 5.104 19.741 ( 0.053 7.193 1.206) 7.294 20.692 ( 11.123 -10.581 -11.793) 19.358 20.919 ( 0.312 -4.222 -4.725) 6.344 ======================= Grid point 122 (44/160) ======================= q-point: ( 0.43 0.13 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 25.726 22.401 10.739) 35.762 2.644 ( 20.551 14.283 23.012) 33.999 2.870 ( -19.242 17.759 21.593) 33.940 3.119 ( -25.475 9.843 10.427) 29.233 4.754 ( 32.327 36.346 3.251) 48.751 5.070 ( -2.781 13.697 -3.848) 14.496 5.316 ( 0.544 10.754 -6.445) 12.550 5.529 ( -17.221 28.786 -8.362) 34.570 6.113 ( 5.777 12.531 2.285) 13.987 6.314 ( -16.374 10.421 0.500) 19.415 8.177 ( 26.442 20.164 10.582) 34.896 8.611 ( -19.590 18.992 7.602) 28.325 9.390 ( 5.214 -9.875 6.789) 13.069 9.538 ( -9.768 -11.581 1.778) 15.254 10.116 ( 2.241 -13.575 14.323) 19.861 10.152 ( -1.422 -13.841 9.093) 16.622 10.404 ( 9.528 -0.638 -0.803) 9.583 10.651 ( -16.063 5.392 -0.169) 16.945 11.154 ( 4.506 -13.391 -0.071) 14.129 11.246 ( -5.176 -12.324 -0.233) 13.369 12.160 ( 8.101 11.875 4.170) 14.968 12.370 ( -14.136 14.809 3.856) 20.833 14.016 ( 17.346 -15.565 0.503) 23.311 14.350 ( -17.031 -9.324 0.705) 19.429 14.682 ( 15.298 -15.354 3.543) 21.962 14.958 ( -12.898 -11.802 0.466) 17.489 15.288 ( 2.409 -8.318 -3.898) 9.496 15.312 ( -0.210 -6.143 -3.516) 7.081 15.913 ( 12.388 5.019 -0.791) 13.390 16.163 ( -13.900 5.183 -0.829) 14.858 17.628 ( 10.124 -7.098 0.113) 12.365 17.785 ( -6.308 -6.374 0.324) 8.974 19.708 ( 1.390 5.815 1.160) 6.090 19.733 ( -1.008 8.228 1.009) 8.351 20.841 ( 5.326 -6.110 -10.728) 13.446 20.906 ( -1.896 -5.011 -7.541) 9.251 ======================= Grid point 126 (45/160) ======================= q-point: ( 0.00 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 0.000 29.748 21.742) 36.847 2.598 ( 0.000 37.583 4.767) 37.884 3.655 ( 0.000 16.667 16.301) 23.313 4.048 ( 0.000 45.760 10.667) 46.986 4.495 ( 0.000 25.055 7.084) 26.037 4.974 ( 0.000 -2.712 -3.550) 4.467 6.018 ( 0.000 -0.183 -8.842) 8.844 6.122 ( 0.000 27.780 -7.492) 28.772 6.426 ( 0.000 15.888 -2.172) 16.035 7.264 ( 0.000 26.800 8.722) 28.184 7.546 ( 0.000 14.502 -2.295) 14.682 8.871 ( 0.000 -17.188 4.913) 17.876 9.407 ( 0.000 -19.135 5.035) 19.786 9.735 ( 0.000 -16.652 17.363) 24.057 9.931 ( 0.000 14.316 11.524) 18.378 10.035 ( 0.000 2.985 6.029) 6.728 10.454 ( 0.000 1.710 0.544) 1.794 10.711 ( 0.000 -14.826 -4.981) 15.640 10.790 ( 0.000 -14.868 3.158) 15.200 12.021 ( 0.000 12.102 -13.342) 18.013 12.529 ( 0.000 -9.273 15.129) 17.745 12.532 ( 0.000 2.516 -6.240) 6.728 13.087 ( 0.000 -18.023 1.326) 18.072 14.294 ( 0.000 -7.263 -11.605) 13.691 14.720 ( 0.000 5.184 -4.351) 6.768 14.790 ( 0.000 -21.844 0.452) 21.849 15.314 ( 0.000 -2.008 -3.150) 3.735 15.511 ( 0.000 1.629 -4.008) 4.326 15.722 ( 0.000 15.733 6.282) 16.941 16.743 ( 0.000 -1.887 -2.065) 2.798 16.966 ( 0.000 -9.284 3.865) 10.057 17.600 ( 0.000 -13.148 10.776) 17.000 19.547 ( 0.000 -13.666 0.271) 13.669 19.959 ( 0.000 -0.751 -6.398) 6.442 20.041 ( 0.000 5.488 -3.664) 6.598 20.861 ( 0.000 -2.367 -4.377) 4.976 ======================= Grid point 127 (46/160) ======================= q-point: ( 0.14 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 4.329 30.598 16.627) 35.092 2.568 ( 1.017 36.882 11.849) 38.752 3.626 ( -4.142 15.005 17.832) 23.671 4.156 ( -1.372 28.108 -0.260) 28.142 4.435 ( 7.213 36.641 13.750) 39.795 5.051 ( 6.374 1.313 -2.705) 7.047 5.811 ( -15.457 4.283 -8.098) 17.967 6.183 ( 2.912 25.452 -7.872) 26.801 6.438 ( 0.855 17.658 -1.505) 17.743 7.382 ( -10.115 17.448 -1.449) 20.220 7.543 ( 19.698 21.410 7.481) 30.040 8.889 ( 1.755 -15.405 4.734) 16.211 9.389 ( -1.876 -16.754 5.171) 17.634 9.739 ( -0.365 -14.842 14.325) 20.631 9.864 ( -6.484 12.113 12.722) 18.724 9.995 ( -3.627 1.738 6.158) 7.355 10.349 ( -7.386 -2.443 0.740) 7.814 10.770 ( 2.343 -12.693 0.077) 12.908 10.854 ( 6.834 -12.755 -1.419) 14.540 11.794 ( -22.194 6.955 -5.292) 23.853 12.301 ( -5.623 8.512 2.833) 10.588 12.842 ( 12.615 -6.678 -0.569) 14.285 13.181 ( 8.628 -15.189 2.085) 17.592 14.087 ( -12.469 -4.246 -6.285) 14.595 14.750 ( -2.868 -19.985 -1.658) 20.257 14.914 ( 11.531 -2.058 -7.005) 13.648 15.281 ( -9.754 3.705 1.050) 10.487 15.318 ( -13.183 -2.133 1.317) 13.419 15.708 ( 2.292 8.616 2.199) 9.183 16.645 ( -8.344 -1.402 -0.827) 8.501 17.069 ( 8.564 -9.493 2.711) 13.069 17.663 ( 4.310 -11.772 6.892) 14.306 19.572 ( 2.836 -10.241 0.413) 10.635 20.001 ( 0.541 13.972 -3.909) 14.519 20.158 ( 14.075 -12.224 -7.636) 20.145 20.858 ( -0.420 -2.800 -4.604) 5.405 ======================= Grid point 128 (47/160) ======================= q-point: ( 0.29 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 9.973 36.017 7.633) 38.144 2.730 ( 11.993 25.759 22.185) 36.049 3.490 ( -10.244 16.392 20.470) 28.154 3.850 ( -23.182 17.009 0.986) 28.770 4.872 ( 28.672 35.026 4.037) 45.445 5.187 ( 9.692 8.920 0.335) 13.176 5.537 ( -12.810 3.874 -7.927) 15.554 6.218 ( 0.151 26.534 -10.308) 28.466 6.453 ( 0.773 20.744 0.113) 20.759 7.031 ( -23.569 18.202 3.755) 30.016 8.053 ( 30.088 20.067 4.975) 36.506 8.929 ( 2.254 -9.957 2.826) 10.593 9.336 ( -3.891 -10.391 6.744) 12.985 9.606 ( -14.162 7.974 8.546) 18.363 9.804 ( 0.651 -12.877 16.298) 20.781 9.927 ( -3.319 -4.128 5.733) 7.806 10.266 ( 0.128 -2.634 1.955) 3.283 10.805 ( 1.302 -13.553 0.687) 13.632 10.950 ( 1.913 -7.793 -1.689) 8.200 11.328 ( -24.581 4.445 3.480) 25.221 12.285 ( 3.465 12.584 0.294) 13.055 12.894 ( -8.160 6.453 -0.203) 10.406 13.382 ( 14.209 -14.752 -0.732) 20.495 14.054 ( 9.421 -14.528 -0.044) 17.316 14.575 ( -17.842 -13.505 -6.137) 23.203 14.907 ( -16.596 -10.103 11.568) 22.613 15.091 ( 6.579 -3.058 -7.347) 10.325 15.266 ( -1.350 -2.234 -1.353) 2.940 15.814 ( 8.519 5.944 0.365) 10.394 16.462 ( -10.989 0.614 -0.030) 11.006 17.248 ( 10.239 -11.036 1.908) 15.175 17.692 ( -1.728 -11.379 2.915) 11.873 19.655 ( 5.922 -3.850 0.435) 7.077 19.982 ( -2.540 12.392 -2.628) 12.920 20.454 ( 15.172 -13.197 -10.203) 22.548 20.843 ( -1.317 -4.059 -5.667) 7.094 ======================= Grid point 129 (48/160) ======================= q-point: ( 0.43 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 19.814 30.285 7.610) 36.982 2.987 ( 15.322 20.458 20.560) 32.803 3.257 ( -14.120 20.407 21.451) 32.802 3.389 ( -24.865 18.819 4.897) 31.566 5.197 ( 7.955 6.523 -7.510) 12.737 5.337 ( -8.179 6.383 -7.223) 12.642 5.608 ( 31.309 29.358 1.686) 42.954 6.105 ( -16.477 28.573 -10.684) 34.671 6.477 ( 2.586 22.206 3.133) 22.575 6.618 ( -15.754 20.006 8.624) 26.885 8.595 ( 26.300 18.711 1.701) 32.322 8.927 ( -6.113 4.446 -2.360) 7.919 9.259 ( -3.110 -3.918 12.055) 13.052 9.323 ( -12.236 -1.632 10.947) 16.500 9.828 ( 1.675 -14.528 12.999) 19.566 9.870 ( -2.811 -11.554 7.833) 14.239 10.391 ( 13.021 0.060 1.492) 13.107 10.697 ( -16.255 -2.142 -1.259) 16.444 10.949 ( 1.822 -6.077 4.401) 7.721 11.026 ( -6.675 -8.877 3.842) 11.753 12.419 ( 10.400 13.857 0.028) 17.326 12.655 ( -14.234 13.411 0.222) 19.558 13.717 ( 20.985 -14.983 -1.559) 25.832 14.141 ( -22.747 -15.377 -1.584) 27.503 14.337 ( 15.308 -15.259 1.475) 21.665 14.634 ( -14.850 -17.739 5.309) 23.735 15.185 ( 3.826 -4.018 -4.097) 6.897 15.239 ( -1.966 -3.058 -2.080) 4.188 16.009 ( 11.911 4.616 0.170) 12.775 16.241 ( -12.472 2.801 0.207) 12.784 17.440 ( 9.974 -12.199 1.405) 15.820 17.605 ( -7.209 -12.176 1.493) 14.229 19.781 ( 7.141 2.617 -0.132) 7.607 19.904 ( -5.658 8.139 -1.310) 9.999 20.682 ( 9.012 -9.745 -9.865) 16.538 20.798 ( -3.862 -6.296 -7.772) 10.722 ======================= Grid point 133 (49/160) ======================= q-point: ( 0.00 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 0.000 29.445 13.051) 32.208 3.290 ( 0.000 33.323 2.221) 33.397 3.966 ( 0.000 16.543 11.458) 20.124 4.752 ( 0.000 27.031 -4.780) 27.450 4.898 ( 0.000 -4.361 -2.095) 4.838 5.116 ( 0.000 34.797 12.600) 37.008 6.015 ( 0.000 1.157 -1.591) 1.967 6.571 ( 0.000 15.001 -13.415) 20.124 6.730 ( 0.000 16.047 -3.788) 16.488 7.647 ( 0.000 6.174 3.309) 7.005 7.720 ( 0.000 1.683 6.871) 7.074 8.612 ( 0.000 -1.899 18.238) 18.337 8.934 ( 0.000 -27.517 2.268) 27.610 9.477 ( 0.000 -7.684 6.947) 10.359 10.149 ( 0.000 6.468 7.108) 9.611 10.255 ( 0.000 14.112 6.055) 15.356 10.458 ( 0.000 -7.665 2.276) 7.995 10.540 ( 0.000 -10.187 4.255) 11.040 10.580 ( 0.000 12.483 9.362) 15.604 12.018 ( 0.000 -13.195 4.829) 14.050 12.569 ( 0.000 13.940 -4.006) 14.504 12.601 ( 0.000 2.211 -7.893) 8.197 12.797 ( 0.000 -9.019 1.641) 9.167 14.141 ( 0.000 -9.428 -8.382) 12.615 14.366 ( 0.000 -20.345 2.504) 20.498 14.811 ( 0.000 3.718 -8.618) 9.386 15.219 ( 0.000 -6.761 -1.250) 6.876 15.583 ( 0.000 5.434 -7.186) 9.009 16.027 ( 0.000 14.862 4.361) 15.489 16.644 ( 0.000 -8.502 -3.249) 9.102 16.765 ( 0.000 -11.041 5.300) 12.247 17.321 ( 0.000 -14.911 12.939) 19.743 19.273 ( 0.000 -13.969 -0.493) 13.978 19.763 ( 0.000 -11.847 -8.535) 14.601 20.287 ( 0.000 11.805 -4.218) 12.536 20.808 ( 0.000 -3.024 -4.016) 5.027 ======================= Grid point 134 (50/160) ======================= q-point: ( 0.14 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 4.325 28.597 12.685) 31.582 3.287 ( 0.673 34.878 4.385) 35.159 3.934 ( -3.706 16.763 12.008) 20.951 4.561 ( -16.260 16.036 -1.561) 22.890 5.010 ( 8.999 9.478 -4.020) 13.674 5.249 ( 12.009 26.728 8.618) 30.543 5.880 ( -10.722 6.079 -2.061) 12.496 6.641 ( 4.907 17.771 -11.038) 21.488 6.748 ( 2.003 14.456 -3.161) 14.932 7.609 ( -10.047 4.523 6.636) 12.862 7.820 ( 15.454 -0.164 1.318) 15.511 8.683 ( 7.680 2.485 18.280) 19.983 8.933 ( -0.213 -27.400 1.751) 27.457 9.491 ( 1.574 -7.168 6.978) 10.127 10.076 ( -7.185 3.648 6.916) 10.619 10.216 ( -4.200 16.832 6.216) 18.428 10.361 ( -6.689 6.183 7.959) 12.096 10.553 ( 1.154 -9.955 3.388) 10.579 10.678 ( 6.828 -1.257 4.806) 8.444 11.831 ( -17.461 -3.766 4.415) 18.400 12.508 ( -2.663 8.438 -3.665) 9.577 12.718 ( 9.695 -1.183 -7.836) 12.521 12.954 ( 12.949 -7.739 3.627) 15.515 13.998 ( -13.123 -5.323 -8.289) 16.409 14.327 ( -2.877 -21.600 1.825) 21.867 14.895 ( 5.920 -0.952 -8.251) 10.200 15.199 ( -3.088 -6.771 -0.961) 7.503 15.422 ( -19.304 7.634 -3.300) 21.019 15.890 ( -4.667 9.191 4.530) 11.260 16.572 ( -5.757 -5.836 -0.757) 8.233 16.860 ( 6.962 -11.817 3.620) 14.185 17.399 ( 4.771 -15.043 8.360) 17.859 19.359 ( 8.691 -11.053 -0.457) 14.068 19.896 ( 13.264 -12.612 -8.887) 20.346 20.268 ( -2.286 11.001 -4.020) 11.934 20.796 ( -1.324 -3.473 -4.357) 5.727 ======================= Grid point 135 (51/160) ======================= q-point: ( 0.29 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 8.070 26.545 11.341) 29.973 3.356 ( 7.206 35.455 8.257) 37.110 3.821 ( -8.351 17.620 12.976) 23.422 4.215 ( -19.793 19.760 2.184) 28.053 5.157 ( 6.199 4.066 -6.304) 9.732 5.448 ( 1.924 4.376 -2.840) 5.560 5.809 ( 10.767 28.487 3.872) 30.698 6.692 ( -0.098 20.617 -10.630) 23.196 6.803 ( 3.588 13.817 -0.745) 14.294 7.338 ( -17.830 11.643 9.339) 23.253 8.173 ( 20.147 -13.100 -3.405) 24.272 8.854 ( 3.281 -4.803 4.747) 7.508 8.958 ( 9.575 -8.355 13.252) 18.360 9.539 ( 3.673 -5.325 7.404) 9.833 9.910 ( -10.100 0.769 5.670) 11.608 10.059 ( -13.148 23.441 14.000) 30.304 10.301 ( 2.067 7.676 2.901) 8.462 10.580 ( 1.518 -9.130 3.034) 9.740 10.781 ( 3.799 -7.054 4.158) 9.026 11.437 ( -23.378 5.337 5.365) 24.572 12.522 ( 4.409 9.605 -3.080) 11.009 12.888 ( 6.035 -4.580 -6.303) 9.855 13.195 ( 11.870 -5.584 4.489) 13.865 13.788 ( -5.832 -11.727 -4.396) 13.816 14.239 ( -7.337 -18.617 -4.387) 20.485 14.811 ( -25.048 -1.350 7.824) 26.276 15.030 ( 1.155 -4.588 -9.409) 10.531 15.226 ( -2.346 -0.669 -0.665) 2.529 15.929 ( 6.471 5.542 1.508) 8.652 16.442 ( -8.154 -2.588 0.321) 8.561 17.000 ( 8.082 -14.138 3.149) 16.587 17.418 ( -2.872 -16.621 4.138) 17.368 19.569 ( 12.934 -4.689 -0.641) 13.773 20.190 ( -0.279 4.995 -4.317) 6.608 20.197 ( 11.168 -9.052 -8.285) 16.593 20.755 ( -3.255 -4.899 -5.490) 8.046 ======================= Grid point 136 (52/160) ======================= q-point: ( 0.43 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.406 ( 11.632 22.743 11.170) 27.881 3.552 ( 13.499 32.880 8.993) 36.663 3.630 ( -11.631 19.164 12.727) 25.778 3.852 ( -18.316 26.920 5.942) 33.098 5.257 ( 5.128 1.287 -6.518) 8.393 5.363 ( -6.309 -0.456 -6.350) 8.963 6.201 ( 24.757 27.626 -0.093) 37.096 6.589 ( -13.375 20.340 -9.859) 26.264 6.876 ( 4.477 17.035 3.403) 17.940 7.019 ( -13.074 18.483 10.757) 25.065 8.518 ( 16.092 -21.640 -4.512) 27.342 8.761 ( -9.692 -22.405 -3.328) 24.637 9.293 ( 21.376 18.068 15.884) 32.182 9.632 ( 6.471 -1.326 9.122) 11.262 9.675 ( -17.227 11.586 7.164) 21.962 9.794 ( -11.813 12.118 15.544) 22.978 10.434 ( 10.786 4.207 -0.499) 11.588 10.584 ( -2.741 -6.506 0.289) 7.065 10.835 ( 3.557 -4.650 7.155) 9.245 11.023 ( -18.260 6.492 8.157) 21.027 12.662 ( 9.919 10.150 -2.662) 14.439 12.853 ( -8.692 6.066 -3.005) 11.017 13.448 ( 16.427 -12.247 -0.685) 20.501 13.730 ( -8.615 -23.363 0.436) 24.905 14.135 ( 2.965 -8.659 -4.809) 10.339 14.372 ( -19.108 -7.289 6.316) 21.403 15.098 ( 4.383 -5.226 -4.732) 8.302 15.175 ( -3.556 -3.369 -2.243) 5.388 16.086 ( 9.689 3.190 0.862) 10.237 16.272 ( -9.816 0.430 0.674) 9.848 17.159 ( 8.703 -16.419 2.747) 18.785 17.314 ( -7.498 -17.459 2.778) 19.203 19.816 ( 13.037 1.131 -1.260) 13.146 20.038 ( -10.316 5.518 -2.240) 11.912 20.479 ( 12.711 -10.668 -8.724) 18.748 20.663 ( -7.050 -7.454 -7.203) 12.536 ======================= Grid point 140 (53/160) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( 0.000 28.275 5.775) 28.859 3.885 ( 0.000 27.651 0.198) 27.651 4.309 ( 0.000 18.853 5.363) 19.601 4.829 ( 0.000 -2.172 0.293) 2.192 5.217 ( 0.000 21.123 -8.296) 22.694 5.573 ( 0.000 9.041 2.670) 9.427 6.186 ( 0.000 18.832 12.687) 22.707 6.660 ( 0.000 -5.601 -21.154) 21.883 6.975 ( 0.000 4.748 -8.777) 9.979 7.486 ( 0.000 -13.531 12.085) 18.142 7.612 ( 0.000 -10.847 13.717) 17.487 8.375 ( 0.000 -28.778 6.537) 29.511 8.891 ( 0.000 24.663 19.346) 31.346 9.475 ( 0.000 6.897 2.492) 7.333 10.136 ( 0.000 -4.255 5.557) 6.999 10.381 ( 0.000 -4.753 2.025) 5.166 10.462 ( 0.000 7.390 3.841) 8.329 10.576 ( 0.000 15.727 4.317) 16.308 10.892 ( 0.000 15.810 14.226) 21.268 11.668 ( 0.000 -21.187 8.761) 22.927 12.497 ( 0.000 -7.254 -4.459) 8.515 12.870 ( 0.000 11.317 -1.855) 11.468 12.882 ( 0.000 14.939 -6.590) 16.328 13.887 ( 0.000 -14.742 -1.535) 14.822 14.070 ( 0.000 -10.480 -2.773) 10.841 14.820 ( 0.000 -4.626 -13.797) 14.551 15.117 ( 0.000 -1.290 -0.866) 1.554 15.714 ( 0.000 7.932 -8.073) 11.317 16.280 ( 0.000 10.702 3.908) 11.393 16.408 ( 0.000 -15.677 -7.199) 17.251 16.551 ( 0.000 -10.533 6.707) 12.488 17.044 ( 0.000 -13.174 15.981) 20.711 19.028 ( 0.000 -10.596 -1.212) 10.665 19.522 ( 0.000 -12.798 -7.971) 15.077 20.471 ( 0.000 7.111 -4.303) 8.312 20.747 ( 0.000 -3.121 -3.512) 4.698 ======================= Grid point 141 (54/160) ======================= q-point: ( 0.14 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.654 ( 2.913 27.723 5.496) 28.412 3.908 ( 2.720 28.613 2.393) 28.841 4.281 ( -3.249 18.953 4.846) 19.831 4.753 ( -7.443 4.900 1.640) 9.060 5.233 ( 1.142 14.994 -8.161) 17.109 5.555 ( -2.600 4.199 0.652) 4.982 6.185 ( 2.817 23.210 9.498) 25.236 6.766 ( 8.934 -4.486 -15.938) 18.814 6.975 ( -0.222 4.166 -8.932) 9.858 7.522 ( 0.302 -12.235 11.967) 17.117 7.622 ( 4.295 -10.493 12.017) 16.521 8.382 ( 0.496 -28.016 6.236) 28.705 9.001 ( 11.329 24.109 17.935) 32.113 9.498 ( 2.669 7.450 2.529) 8.308 10.082 ( -5.608 -0.922 5.743) 8.080 10.389 ( 0.572 -5.756 3.169) 6.596 10.459 ( -0.446 6.978 3.794) 7.955 10.565 ( -0.298 15.402 4.419) 16.026 10.869 ( -2.934 15.729 13.899) 21.194 11.639 ( -3.802 -15.495 8.367) 18.015 12.498 ( 0.953 -4.403 -6.307) 7.751 12.861 ( -0.499 8.210 -2.777) 8.682 12.943 ( 6.173 7.586 -2.805) 10.174 13.856 ( -6.033 -9.952 -5.119) 12.714 13.974 ( -6.418 -12.341 -0.415) 13.917 14.836 ( 1.419 -6.560 -12.026) 13.772 15.097 ( -3.641 -1.873 -0.813) 4.174 15.579 ( -18.236 8.233 -8.404) 21.701 16.024 ( -9.109 3.163 5.152) 10.933 16.440 ( -1.822 -6.498 -0.171) 6.751 16.621 ( 4.946 -12.321 3.963) 13.856 17.095 ( 1.958 -15.792 10.519) 19.075 19.166 ( 13.834 -8.183 -1.214) 16.118 19.652 ( 12.980 -12.444 -7.998) 19.680 20.439 ( -3.608 6.603 -4.067) 8.554 20.726 ( -2.292 -3.578 -3.865) 5.744 ======================= Grid point 142 (55/160) ======================= q-point: ( 0.29 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.733 ( 5.556 26.161 4.884) 27.187 3.995 ( 6.356 29.039 6.805) 30.496 4.187 ( -6.357 20.577 3.347) 21.795 4.580 ( -10.439 16.787 4.757) 20.332 5.250 ( 0.831 6.271 -7.479) 9.796 5.468 ( -6.102 0.426 -1.115) 6.217 6.348 ( 13.880 24.133 3.649) 28.078 6.929 ( 7.993 -1.987 -6.992) 10.804 6.954 ( -2.313 3.682 -10.012) 10.915 7.432 ( -8.354 -2.124 12.181) 14.922 7.814 ( 13.753 -16.182 7.394) 22.487 8.376 ( -1.870 -25.948 5.478) 26.586 9.277 ( 16.575 19.761 13.024) 28.893 9.587 ( 7.345 10.296 3.421) 13.102 9.946 ( -8.073 4.019 6.875) 11.340 10.370 ( -4.077 -0.007 5.319) 6.702 10.446 ( -0.205 6.125 2.215) 6.516 10.601 ( 3.598 15.059 7.978) 17.417 10.782 ( -4.640 10.205 11.415) 15.999 11.489 ( -12.798 -1.417 7.425) 14.863 12.571 ( 7.506 -2.663 -7.843) 11.178 12.867 ( 1.310 1.052 -4.168) 4.493 13.088 ( 8.205 -5.608 3.357) 10.490 13.617 ( -16.003 -6.495 -4.453) 17.836 13.932 ( 0.456 -10.473 -3.940) 11.199 14.819 ( -20.421 1.705 1.583) 20.553 14.895 ( -1.673 -8.574 -8.714) 12.339 15.250 ( -10.003 2.386 -4.691) 11.303 16.016 ( 4.519 3.114 2.236) 5.926 16.373 ( -5.002 -3.956 1.087) 6.469 16.713 ( 5.206 -14.906 4.087) 16.309 17.061 ( -4.967 -19.458 6.147) 21.002 19.486 ( 18.851 -3.470 -1.459) 19.223 19.955 ( 17.885 -11.669 -8.032) 22.816 20.329 ( -8.291 5.252 -3.325) 10.363 20.657 ( -5.315 -5.002 -4.869) 8.774 ======================= Grid point 143 (56/160) ======================= q-point: ( 0.43 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.859 ( 7.712 23.559 4.512) 25.196 4.009 ( -7.455 20.326 5.534) 22.346 4.186 ( 8.871 30.812 6.292) 32.675 4.378 ( -10.911 26.062 7.147) 29.144 5.279 ( 2.707 1.474 -5.645) 6.432 5.356 ( -5.353 0.211 -3.000) 6.140 6.640 ( 15.487 16.689 -3.361) 23.015 6.866 ( -7.971 6.680 -9.159) 13.858 7.072 ( 7.829 1.635 1.726) 8.182 7.245 ( -10.623 3.880 9.996) 15.094 8.079 ( 13.548 -19.590 4.871) 24.311 8.287 ( -8.071 -22.882 4.636) 24.703 9.542 ( 11.021 8.648 5.130) 14.918 9.701 ( -3.723 6.191 2.140) 7.535 9.904 ( 11.798 18.997 12.201) 25.475 10.198 ( -14.318 16.034 8.646) 23.170 10.477 ( 3.465 1.387 3.868) 5.375 10.567 ( -5.755 6.123 9.196) 12.457 10.871 ( 13.540 9.093 7.430) 17.922 11.184 ( -18.297 8.803 7.228) 21.553 12.760 ( 10.923 -1.307 -7.177) 13.135 12.885 ( -1.258 -1.642 -5.562) 5.934 13.207 ( 4.461 -16.023 3.960) 17.097 13.340 ( -11.894 -13.160 -1.308) 17.787 14.019 ( 10.514 -1.210 -4.302) 11.424 14.341 ( -23.246 2.876 0.799) 23.437 14.978 ( 6.435 -7.070 -5.481) 11.020 15.109 ( -7.079 -3.611 -4.197) 8.987 16.130 ( 7.000 1.276 1.234) 7.222 16.261 ( -6.765 -1.312 1.112) 6.981 16.820 ( 6.245 -17.789 4.311) 19.340 16.944 ( -6.864 -19.899 4.710) 21.570 19.830 ( 17.392 0.482 -2.049) 17.519 20.119 ( -12.792 2.727 -3.254) 13.478 20.281 ( 14.779 -9.352 -6.737) 18.742 20.517 ( -9.988 -7.302 -6.119) 13.803 ======================= Grid point 147 (57/160) ======================= q-point: ( 0.00 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.141 ( 0.000 23.672 0.182) 23.673 4.347 ( 0.000 18.770 -4.026) 19.197 4.699 ( 0.000 21.060 -1.361) 21.104 4.837 ( 0.000 3.732 5.432) 6.590 5.456 ( 0.000 -0.182 -6.148) 6.151 5.722 ( 0.000 13.908 0.260) 13.910 6.351 ( 0.000 -24.308 -19.914) 31.424 6.615 ( 0.000 21.989 17.081) 27.844 6.839 ( 0.000 -16.005 -10.228) 18.994 7.343 ( 0.000 -3.636 11.622) 12.177 7.396 ( 0.000 -9.046 12.491) 15.422 7.857 ( 0.000 -23.417 12.926) 26.748 9.427 ( 0.000 29.047 15.747) 33.041 9.692 ( 0.000 13.932 2.816) 14.214 10.114 ( 0.000 2.453 7.439) 7.833 10.306 ( 0.000 -3.584 3.587) 5.071 10.562 ( 0.000 1.410 5.462) 5.641 10.898 ( 0.000 15.294 0.512) 15.303 11.122 ( 0.000 7.643 9.782) 12.414 11.215 ( 0.000 -24.864 11.249) 27.290 12.436 ( 0.000 1.683 -2.370) 2.907 13.011 ( 0.000 -4.563 -0.148) 4.565 13.132 ( 0.000 14.747 -1.206) 14.796 13.745 ( 0.000 1.881 -8.138) 8.353 13.899 ( 0.000 -6.167 -1.200) 6.282 14.636 ( 0.000 -12.712 -12.274) 17.670 15.183 ( 0.000 6.990 -8.517) 11.018 15.884 ( 0.000 9.107 -8.916) 12.745 16.058 ( 0.000 -19.333 -10.063) 21.795 16.363 ( 0.000 -7.586 6.587) 10.047 16.443 ( 0.000 5.146 5.893) 7.824 16.814 ( 0.000 -10.495 18.199) 21.008 18.885 ( 0.000 -3.552 -1.992) 4.073 19.272 ( 0.000 -12.621 -6.455) 14.176 20.571 ( 0.000 3.445 -3.927) 5.224 20.691 ( 0.000 -2.547 -3.156) 4.055 ======================= Grid point 148 (58/160) ======================= q-point: ( 0.14 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.163 ( 2.262 23.717 -0.017) 23.825 4.380 ( 3.626 19.190 -1.237) 19.569 4.653 ( -3.936 17.499 -2.370) 18.092 4.861 ( 1.466 9.189 5.961) 11.051 5.409 ( -4.253 -0.376 -5.643) 7.076 5.685 ( -3.949 13.773 -0.084) 14.328 6.414 ( 5.910 -20.596 -17.252) 27.509 6.677 ( 6.750 17.051 13.672) 22.874 6.831 ( -0.906 -16.543 -10.064) 19.385 7.376 ( 2.110 -2.973 13.434) 13.920 7.443 ( 5.836 -8.162 10.615) 14.607 7.889 ( 2.968 -21.840 12.152) 25.168 9.504 ( 7.361 26.384 14.366) 30.930 9.731 ( 4.558 15.099 2.336) 15.944 10.108 ( -0.816 4.219 7.572) 8.706 10.305 ( 0.024 -3.672 3.416) 5.015 10.541 ( -1.732 1.460 6.177) 6.580 10.893 ( -0.090 15.933 0.716) 15.949 11.123 ( -0.623 9.103 11.512) 14.689 11.260 ( 4.336 -22.585 10.567) 25.309 12.445 ( 1.488 0.339 -3.689) 3.992 12.990 ( -2.439 -6.564 -0.025) 7.003 13.063 ( -6.761 12.681 -2.161) 14.533 13.719 ( -6.061 -4.458 -6.479) 9.929 13.852 ( -1.355 1.793 -2.655) 3.479 14.641 ( 0.869 -12.526 -11.214) 16.835 15.140 ( -5.578 5.661 -7.392) 10.854 15.707 ( -22.381 2.101 -14.439) 26.717 15.991 ( 0.499 -3.417 2.188) 4.088 16.360 ( -1.212 -3.905 7.176) 8.259 16.418 ( -0.330 -5.757 3.356) 6.672 16.799 ( -3.435 -14.311 13.182) 19.758 19.060 ( 17.156 -2.304 -2.059) 17.432 19.417 ( 14.270 -11.551 -6.388) 19.439 20.532 ( -4.325 3.234 -3.729) 6.563 20.662 ( -3.205 -2.946 -3.461) 5.562 ======================= Grid point 149 (59/160) ======================= q-point: ( 0.29 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.222 ( 3.988 23.364 -0.377) 23.705 4.456 ( 1.922 19.317 4.366) 19.898 4.598 ( 0.578 17.917 -3.821) 18.329 4.867 ( -1.033 14.283 6.913) 15.902 5.334 ( -2.930 0.920 -4.942) 5.819 5.574 ( -7.688 12.438 -0.186) 14.623 6.541 ( 7.024 -18.464 -14.805) 24.687 6.800 ( -2.027 -16.532 -7.483) 18.260 6.862 ( 12.053 10.439 7.957) 17.821 7.385 ( -1.619 0.402 13.121) 13.226 7.608 ( 10.726 -8.235 9.544) 16.552 7.942 ( 1.897 -18.324 10.785) 21.347 9.644 ( 6.655 18.381 8.806) 21.440 9.867 ( 7.631 15.649 0.629) 17.421 10.092 ( 1.183 10.993 8.479) 13.933 10.308 ( 0.060 -3.583 3.005) 4.677 10.521 ( 0.142 2.147 8.831) 9.089 10.925 ( 4.126 16.236 3.406) 17.094 11.060 ( -6.559 13.544 13.793) 20.413 11.340 ( 2.637 -13.914 9.651) 17.137 12.521 ( 7.265 -2.173 -6.663) 10.095 12.888 ( -7.719 0.096 -3.593) 8.515 12.943 ( -5.263 -6.762 -0.456) 8.581 13.487 ( -16.486 -7.489 -3.417) 18.427 13.912 ( 6.787 7.759 -5.208) 11.549 14.687 ( 4.473 -11.681 -8.654) 15.210 14.901 ( -21.344 5.737 -3.732) 22.414 15.284 ( -17.689 0.041 -9.508) 20.083 16.048 ( 4.471 0.754 1.654) 4.826 16.312 ( -3.572 -1.858 4.542) 6.069 16.442 ( 2.306 -12.383 3.921) 13.192 16.691 ( -6.813 -17.666 9.273) 21.082 19.446 ( 22.198 -0.390 -2.298) 22.320 19.746 ( 19.461 -9.711 -6.308) 22.646 20.404 ( -9.480 2.747 -3.231) 10.385 20.567 ( -7.180 -4.186 -4.214) 9.318 ======================= Grid point 150 (60/160) ======================= q-point: ( 0.43 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.309 ( 5.120 22.076 -0.372) 22.665 4.406 ( -5.004 20.021 0.719) 20.649 4.701 ( 7.477 19.436 4.057) 21.216 4.817 ( -4.447 17.643 7.013) 19.500 5.325 ( 2.399 4.320 -3.967) 6.337 5.423 ( -7.567 9.032 -1.833) 11.925 6.659 ( 5.466 -19.693 -12.773) 24.101 6.745 ( -3.751 -19.225 -10.453) 22.202 7.104 ( 12.644 9.502 9.961) 18.691 7.300 ( -7.718 5.554 11.513) 14.932 7.805 ( 9.406 -10.647 9.086) 16.864 7.930 ( -3.633 -14.348 9.611) 17.648 9.760 ( 6.134 13.649 4.111) 15.518 9.871 ( -5.068 11.141 1.367) 12.315 10.224 ( 8.048 10.026 1.906) 12.997 10.299 ( -1.317 -0.973 0.873) 1.855 10.587 ( 8.772 10.486 16.053) 21.085 10.830 ( -14.055 17.302 17.376) 28.264 11.107 ( 11.295 12.228 5.731) 17.605 11.303 ( -7.294 1.329 8.550) 11.317 12.684 ( 7.273 -3.095 -9.755) 12.556 12.789 ( -4.526 -8.955 -5.816) 11.598 12.890 ( 5.507 -12.587 0.392) 13.745 13.154 ( -18.101 -8.795 -2.174) 20.242 14.106 ( 14.382 9.253 -4.247) 17.621 14.455 ( -22.695 8.400 -2.841) 24.366 14.818 ( 9.303 -9.624 -6.342) 14.811 15.022 ( -12.165 -5.754 -6.891) 15.119 16.140 ( 5.114 0.112 1.619) 5.366 16.233 ( -4.738 -1.206 2.563) 5.521 16.497 ( 3.520 -14.668 5.385) 16.017 16.577 ( -5.164 -16.791 7.072) 18.937 19.844 ( 19.736 1.179 -2.688) 19.953 20.092 ( 14.092 -6.664 -6.444) 16.868 20.183 ( -11.538 0.838 -2.284) 11.792 20.386 ( -12.344 -6.066 -4.989) 14.631 ======================= Grid point 154 (61/160) ======================= q-point: ( 0.00 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.492 ( 0.000 11.130 -4.884) 12.155 4.565 ( 0.000 3.390 -8.529) 9.178 4.990 ( 0.000 10.554 9.825) 14.419 5.068 ( 0.000 10.512 -1.780) 10.662 5.427 ( 0.000 5.930 -0.528) 5.954 5.824 ( 0.000 -27.510 -12.226) 30.104 6.046 ( 0.000 18.641 -6.559) 19.761 6.450 ( 0.000 -22.104 -10.298) 24.385 6.997 ( 0.000 16.781 16.732) 23.697 7.240 ( 0.000 -8.028 10.610) 13.305 7.320 ( 0.000 1.920 9.757) 9.944 7.484 ( 0.000 -14.647 14.434) 20.564 9.969 ( 0.000 13.423 3.713) 13.928 9.975 ( 0.000 24.488 9.395) 26.228 10.202 ( 0.000 4.127 4.873) 6.386 10.206 ( 0.000 -6.896 3.058) 7.544 10.516 ( 0.000 -3.466 13.374) 13.816 10.711 ( 0.000 -23.996 15.797) 28.729 11.140 ( 0.000 7.870 -0.019) 7.870 11.205 ( 0.000 0.909 2.697) 2.846 12.555 ( 0.000 9.927 0.391) 9.935 12.795 ( 0.000 -13.762 2.157) 13.930 13.415 ( 0.000 13.778 -0.017) 13.778 13.653 ( 0.000 -10.478 -1.523) 10.588 14.040 ( 0.000 15.808 -9.518) 18.452 14.356 ( 0.000 -15.762 -11.242) 19.360 15.375 ( 0.000 12.853 -14.146) 19.113 15.680 ( 0.000 -18.101 -15.609) 23.901 16.067 ( 0.000 8.845 -3.357) 9.461 16.222 ( 0.000 -7.169 1.755) 7.381 16.528 ( 0.000 4.241 12.228) 12.942 16.638 ( 0.000 -7.378 17.505) 18.996 18.897 ( 0.000 4.540 -3.150) 5.525 19.045 ( 0.000 -10.197 -4.721) 11.237 20.618 ( 0.000 1.729 -3.442) 3.852 20.650 ( 0.000 -1.754 -3.131) 3.588 ======================= Grid point 155 (62/160) ======================= q-point: ( 0.14 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.521 ( 3.014 11.761 -4.427) 12.923 4.604 ( 4.109 3.238 -6.804) 8.583 4.927 ( -4.633 12.779 4.970) 14.473 5.081 ( -0.593 2.865 2.690) 3.974 5.434 ( 1.372 12.337 -1.699) 12.529 5.876 ( 4.326 -24.593 -11.241) 27.384 6.025 ( -2.158 15.405 -4.964) 16.329 6.429 ( -2.373 -22.669 -9.164) 24.566 7.030 ( 4.158 16.291 14.370) 22.118 7.281 ( 4.964 -9.587 10.103) 14.786 7.375 ( 4.741 3.549 10.699) 12.229 7.543 ( 5.396 -13.653 13.095) 19.672 9.949 ( 0.360 16.736 7.605) 18.387 10.059 ( 5.524 16.083 3.270) 17.317 10.200 ( 0.391 -3.214 4.601) 5.626 10.232 ( 2.325 2.507 2.866) 4.462 10.526 ( 1.649 0.411 14.235) 14.336 10.793 ( 8.158 -23.404 14.765) 28.850 11.142 ( 0.598 8.557 0.904) 8.625 11.218 ( 1.275 0.650 4.961) 5.163 12.533 ( -1.912 8.625 -1.006) 8.891 12.760 ( -3.672 -13.655 1.079) 14.181 13.328 ( -9.147 13.504 -1.050) 16.344 13.564 ( -9.418 -10.488 -1.809) 14.212 14.061 ( 2.548 15.434 -8.651) 17.876 14.368 ( 1.600 -15.300 -10.301) 18.514 15.306 ( -8.027 11.303 -13.271) 19.191 15.560 ( -13.654 -13.487 -15.957) 24.959 16.060 ( 0.188 8.352 -0.650) 8.379 16.224 ( 0.283 -7.836 1.888) 8.065 16.427 ( -7.578 3.644 12.523) 15.084 16.557 ( -7.772 -9.929 15.244) 19.783 19.080 ( 17.786 4.221 -3.192) 18.556 19.213 ( 16.313 -9.037 -4.680) 19.228 20.578 ( -4.412 1.822 -3.394) 5.856 20.613 ( -3.960 -2.054 -3.294) 5.545 ======================= Grid point 156 (63/160) ======================= q-point: ( 0.29 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.594 ( 4.448 13.411 -3.325) 14.516 4.709 ( 6.559 2.652 -2.510) 7.507 4.847 ( -3.745 12.676 2.010) 13.370 5.038 ( -3.480 -3.126 3.516) 5.852 5.487 ( 4.245 20.503 -2.422) 21.078 5.885 ( -5.381 13.672 -5.670) 15.749 6.029 ( 4.450 -22.721 -6.402) 24.021 6.360 ( -4.899 -24.808 -7.019) 26.243 7.162 ( 9.445 15.288 10.659) 20.894 7.422 ( 9.270 -11.166 8.771) 16.957 7.455 ( 2.983 6.524 11.162) 13.269 7.645 ( 4.445 -12.657 11.345) 17.569 9.975 ( 2.219 14.620 6.404) 16.114 10.128 ( 1.027 8.641 0.102) 8.702 10.209 ( 0.362 -4.186 4.664) 6.278 10.277 ( 1.287 0.923 -0.811) 1.780 10.625 ( 10.204 13.003 17.069) 23.760 10.988 ( 11.795 -20.579 13.046) 27.071 11.179 ( 3.308 8.701 4.898) 10.518 11.233 ( -0.619 3.367 9.885) 10.461 12.518 ( 1.743 3.272 -4.568) 5.883 12.672 ( -4.939 -11.900 -2.129) 13.059 13.089 ( -15.668 11.826 -3.537) 19.946 13.314 ( -16.800 -10.506 -3.076) 20.052 14.147 ( 6.989 14.540 -6.701) 17.469 14.433 ( 5.823 -14.249 -8.049) 17.370 15.049 ( -19.493 9.047 -9.301) 23.416 15.218 ( -19.938 -6.958 -12.029) 24.303 16.093 ( 3.072 4.911 1.666) 6.027 16.236 ( 1.080 -8.932 2.752) 9.408 16.311 ( -4.846 1.749 8.778) 10.178 16.414 ( -6.273 -9.794 11.553) 16.393 19.476 ( 22.746 3.551 -3.296) 23.257 19.581 ( 21.415 -7.083 -4.628) 23.026 20.449 ( -9.539 2.158 -3.319) 10.328 20.497 ( -8.667 -2.974 -3.673) 9.872 ======================= Grid point 157 (64/160) ======================= q-point: ( 0.43 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.679 ( 4.525 14.886 -1.662) 15.648 4.756 ( -3.317 14.923 0.309) 15.291 4.856 ( 5.917 -1.837 0.941) 6.267 4.960 ( -4.871 -3.835 2.928) 6.857 5.592 ( 7.052 23.707 -2.690) 24.879 5.743 ( -8.594 22.699 -2.940) 24.449 6.135 ( 6.257 -29.549 -6.774) 30.954 6.254 ( -6.243 -27.830 -6.246) 29.198 7.343 ( 8.814 13.165 9.373) 18.408 7.458 ( -2.979 10.067 9.934) 14.454 7.591 ( 7.612 -11.935 9.058) 16.806 7.678 ( -1.358 -12.246 9.982) 15.857 10.030 ( 3.618 12.823 3.505) 13.777 10.100 ( -3.368 11.121 0.696) 11.641 10.226 ( 1.681 -6.530 2.401) 7.158 10.265 ( -2.021 -4.382 -0.627) 4.866 10.881 ( 15.303 17.448 16.358) 28.394 11.129 ( -9.461 11.987 14.493) 21.054 11.190 ( 7.913 -12.106 12.180) 18.908 11.252 ( 1.441 0.780 9.580) 9.719 12.626 ( 2.571 -4.012 -5.893) 7.579 12.647 ( 11.077 -3.924 -7.414) 13.894 12.796 ( -13.019 4.792 -5.695) 14.997 12.968 ( -19.011 -10.235 -5.043) 22.172 14.336 ( 13.478 13.416 -5.191) 19.712 14.595 ( 10.844 -11.846 -6.700) 17.401 14.656 ( -19.334 10.390 -5.470) 22.620 14.870 ( -17.010 -9.993 -7.823) 21.222 16.160 ( 3.849 2.776 3.029) 5.630 16.231 ( -3.646 1.299 4.995) 6.319 16.270 ( 2.221 -8.212 5.055) 9.896 16.326 ( -3.631 -8.600 7.508) 11.979 19.885 ( 20.227 3.138 -3.364) 20.743 19.968 ( 19.215 -5.466 -4.496) 20.477 20.218 ( -15.089 2.546 -3.267) 15.647 20.284 ( -14.165 -4.302 -4.069) 15.353 ======================= Grid point 210 (65/160) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.000 0.000 33.241) 33.241 1.594 ( 0.000 0.000 37.965) 37.965 2.971 ( 0.000 0.000 63.590) 63.590 3.787 ( 0.000 0.000 6.761) 6.761 4.043 ( 0.000 0.000 36.626) 36.626 4.634 ( 0.000 0.000 -14.891) 14.891 4.828 ( 0.000 0.000 -8.430) 8.430 5.400 ( 0.000 0.000 -31.043) 31.043 5.805 ( 0.000 0.000 -3.329) 3.329 6.736 ( 0.000 0.000 19.189) 19.189 7.028 ( 0.000 0.000 10.596) 10.596 8.930 ( 0.000 0.000 2.735) 2.735 9.377 ( 0.000 0.000 1.767) 1.767 10.148 ( 0.000 0.000 -12.204) 12.204 10.167 ( 0.000 0.000 -9.576) 9.576 10.319 ( 0.000 0.000 37.755) 37.755 10.375 ( 0.000 0.000 6.027) 6.027 11.024 ( 0.000 0.000 35.712) 35.712 11.553 ( 0.000 0.000 1.337) 1.337 11.736 ( 0.000 0.000 -2.257) 2.257 12.347 ( 0.000 0.000 -11.431) 11.431 12.831 ( 0.000 0.000 1.987) 1.987 14.217 ( 0.000 0.000 12.705) 12.705 14.410 ( 0.000 0.000 -7.227) 7.227 14.846 ( 0.000 0.000 -27.207) 27.207 15.077 ( 0.000 0.000 6.847) 6.847 15.243 ( 0.000 0.000 1.661) 1.661 15.594 ( 0.000 0.000 -8.430) 8.430 15.840 ( 0.000 0.000 -4.020) 4.020 15.890 ( 0.000 0.000 -3.797) 3.797 17.301 ( 0.000 0.000 3.931) 3.931 17.858 ( 0.000 0.000 -2.302) 2.302 19.306 ( 0.000 0.000 3.262) 3.262 20.030 ( 0.000 0.000 0.681) 0.681 20.825 ( 0.000 0.000 -5.517) 5.517 20.866 ( 0.000 0.000 -2.068) 2.068 ======================= Grid point 211 (66/160) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 13.463 0.000 28.654) 31.659 1.777 ( 18.169 0.000 32.460) 37.199 3.184 ( 20.616 0.000 58.485) 62.013 3.705 ( -8.555 0.000 6.626) 10.821 3.945 ( -10.516 0.000 33.739) 35.340 4.655 ( 2.075 0.000 -14.003) 14.155 4.824 ( -0.476 0.000 -8.568) 8.581 5.206 ( -14.272 0.000 -19.777) 24.389 5.889 ( 3.797 0.000 -7.933) 8.795 6.696 ( -8.212 0.000 10.591) 13.402 7.153 ( 16.617 0.000 16.900) 23.701 8.861 ( -7.066 0.000 2.918) 7.645 9.419 ( 4.390 0.000 1.422) 4.614 10.121 ( -2.900 0.000 -11.202) 11.571 10.179 ( 0.065 0.000 -6.673) 6.673 10.314 ( 1.632 0.000 20.197) 20.263 10.464 ( 7.322 0.000 18.518) 19.913 11.031 ( 0.573 0.000 35.282) 35.287 11.540 ( -1.258 0.000 0.932) 1.565 11.695 ( -3.955 0.000 -2.130) 4.492 12.261 ( -7.955 0.000 -6.573) 10.320 12.687 ( -13.631 0.000 0.732) 13.651 14.277 ( 6.140 0.000 12.145) 13.609 14.530 ( 11.184 0.000 -5.792) 12.595 14.812 ( -3.719 0.000 -24.968) 25.243 15.044 ( -3.490 0.000 6.988) 7.811 15.148 ( -4.688 0.000 3.745) 6.000 15.609 ( 1.531 0.000 -8.136) 8.279 15.829 ( -1.108 0.000 -4.199) 4.342 16.013 ( 7.124 0.000 -6.980) 9.973 17.343 ( 4.871 0.000 1.998) 5.265 17.873 ( 1.232 0.000 -2.508) 2.794 19.341 ( 3.575 0.000 3.561) 5.045 20.008 ( -2.833 0.000 3.969) 4.877 20.668 ( -7.206 0.000 -4.322) 8.403 20.967 ( 2.478 0.000 -6.499) 6.955 ======================= Grid point 212 (67/160) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 26.365 0.000 20.007) 33.097 2.203 ( 25.713 0.000 22.724) 34.316 3.475 ( -10.110 0.000 32.893) 34.412 3.477 ( -15.616 0.000 7.269) 17.225 3.820 ( 15.996 0.000 39.160) 42.301 4.702 ( 2.657 0.000 -12.326) 12.609 4.810 ( -1.016 0.000 -8.995) 9.052 4.973 ( -10.996 0.000 -3.487) 11.536 5.911 ( 0.054 0.000 -5.977) 5.977 6.445 ( -16.472 0.000 7.500) 18.099 7.582 ( 25.942 0.000 15.173) 30.054 8.681 ( -11.954 0.000 4.221) 12.677 9.537 ( 7.996 0.000 0.302) 8.002 10.036 ( -6.299 0.000 -8.451) 10.540 10.175 ( 0.407 0.000 1.416) 1.474 10.342 ( -0.203 0.000 4.626) 4.630 10.627 ( 9.901 0.000 25.059) 26.944 11.032 ( -1.012 0.000 34.143) 34.158 11.513 ( -1.317 0.000 -0.108) 1.322 11.609 ( -4.750 0.000 -1.976) 5.144 12.109 ( -6.816 0.000 -1.588) 6.998 12.402 ( -15.185 0.000 0.497) 15.193 14.429 ( 9.652 0.000 10.867) 14.534 14.712 ( 5.138 0.000 -13.297) 14.255 14.735 ( -3.370 0.000 -19.649) 19.936 14.949 ( -6.582 0.000 7.467) 9.953 15.195 ( 10.920 0.000 6.351) 12.632 15.648 ( 2.551 0.000 -7.397) 7.824 15.799 ( -2.065 0.000 -4.715) 5.148 16.029 ( -5.776 0.000 -3.521) 6.764 17.485 ( 9.780 0.000 -2.066) 9.996 17.882 ( -0.849 0.000 -3.142) 3.255 19.435 ( 6.436 0.000 4.723) 7.983 19.912 ( -7.343 0.000 9.258) 11.817 20.617 ( 1.723 0.000 -9.486) 9.641 20.946 ( -4.169 0.000 -8.045) 9.061 ======================= Grid point 213 (68/160) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 32.189 0.000 15.753) 35.837 2.689 ( 25.412 0.000 14.902) 29.459 3.008 ( -30.977 0.000 17.943) 35.798 3.129 ( -21.369 0.000 9.858) 23.533 4.308 ( 26.914 0.000 32.201) 41.968 4.728 ( -17.211 0.000 14.899) 22.764 4.749 ( 2.287 0.000 -10.842) 11.081 4.785 ( -1.644 0.000 -9.740) 9.878 5.953 ( 5.790 0.000 -1.772) 6.055 6.145 ( -14.245 0.000 3.863) 14.759 8.046 ( 22.746 0.000 11.512) 25.493 8.415 ( -16.752 0.000 7.448) 18.333 9.707 ( 9.867 0.000 -1.786) 10.027 9.889 ( -9.186 0.000 -4.897) 10.410 10.212 ( 3.589 0.000 2.609) 4.437 10.294 ( -4.358 0.000 2.225) 4.893 10.817 ( 9.847 0.000 28.710) 30.351 10.970 ( -5.947 0.000 32.080) 32.626 11.502 ( 0.421 0.000 -1.221) 1.291 11.534 ( -2.964 0.000 -1.813) 3.475 12.052 ( 1.363 0.000 -0.631) 1.502 12.161 ( -9.932 0.000 0.085) 9.932 14.619 ( 10.300 0.000 9.484) 14.002 14.706 ( 0.244 0.000 -18.994) 18.995 14.729 ( -1.491 0.000 -17.213) 17.277 14.802 ( -9.005 0.000 8.313) 12.256 15.497 ( 18.585 0.000 6.053) 19.546 15.700 ( 2.926 0.000 -6.452) 7.084 15.754 ( -2.722 0.000 -5.504) 6.140 15.823 ( -15.259 0.000 2.057) 15.397 17.676 ( 9.734 0.000 -4.085) 10.556 17.824 ( -5.642 0.000 -3.979) 6.904 19.578 ( 8.698 0.000 6.907) 11.106 19.750 ( -9.393 0.000 9.348) 13.252 20.703 ( 6.572 0.000 -10.763) 12.611 20.836 ( -7.036 0.000 -9.418) 11.756 ======================= Grid point 217 (69/160) ======================= q-point: ( 0.00 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.000 22.030 26.836) 34.720 1.937 ( 0.000 29.448 31.157) 42.871 3.131 ( 0.000 16.637 57.185) 59.556 3.908 ( 0.000 11.569 6.682) 13.360 4.045 ( 0.000 0.788 36.882) 36.891 4.725 ( 0.000 7.337 -13.073) 14.991 4.968 ( 0.000 14.771 -9.380) 17.498 5.437 ( 0.000 5.065 -28.715) 29.158 5.877 ( 0.000 7.515 -3.730) 8.389 6.810 ( 0.000 7.716 16.593) 18.300 7.077 ( 0.000 5.361 9.523) 10.928 8.972 ( 0.000 3.720 0.957) 3.842 9.692 ( 0.000 23.193 -7.487) 24.372 10.043 ( 0.000 -8.625 -2.809) 9.071 10.162 ( 0.000 -0.787 -2.110) 2.252 10.368 ( 0.000 3.706 26.207) 26.467 10.445 ( 0.000 7.363 1.528) 7.520 10.946 ( 0.000 -7.882 36.347) 37.192 11.435 ( 0.000 -11.231 1.805) 11.376 11.643 ( 0.000 -7.659 -3.435) 8.394 12.345 ( 0.000 -0.205 -10.924) 10.926 12.911 ( 0.000 6.678 3.381) 7.485 13.976 ( 0.000 -20.290 7.154) 21.514 14.465 ( 0.000 3.697 -4.799) 6.058 14.711 ( 0.000 -17.929 -22.368) 28.667 15.102 ( 0.000 -20.882 -6.677) 21.924 15.110 ( 0.000 4.319 3.636) 5.646 15.395 ( 0.000 11.962 5.910) 13.343 15.769 ( 0.000 -6.893 -2.127) 7.214 16.338 ( 0.000 21.887 -7.661) 23.189 17.277 ( 0.000 -2.507 4.267) 4.949 17.881 ( 0.000 1.694 -2.857) 3.322 19.404 ( 0.000 9.523 1.898) 9.711 19.974 ( 0.000 -5.780 0.881) 5.846 20.649 ( 0.000 -19.478 1.513) 19.537 20.810 ( 0.000 -1.479 -6.236) 6.408 ======================= Grid point 218 (70/160) ======================= q-point: ( 0.14 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 6.985 17.732 27.207) 33.218 2.110 ( 16.075 26.599 27.471) 41.480 3.341 ( 19.854 15.848 50.154) 56.220 3.799 ( -11.707 9.153 7.728) 16.750 3.986 ( -5.675 4.578 34.627) 35.387 4.748 ( 2.127 7.549 -11.814) 14.180 4.964 ( -0.587 14.603 -9.364) 17.357 5.271 ( -12.501 7.610 -20.647) 25.308 5.928 ( 2.111 4.449 -6.331) 8.021 6.769 ( -8.785 7.932 8.488) 14.565 7.215 ( 17.816 6.313 15.293) 24.314 8.912 ( -6.192 4.710 1.143) 7.864 9.637 ( -4.059 16.326 -1.312) 16.874 10.018 ( -3.091 -8.417 -1.411) 9.077 10.166 ( 0.265 -2.546 -10.137) 10.456 10.372 ( 2.353 4.876 24.044) 24.646 10.548 ( 7.725 9.026 7.260) 13.923 10.949 ( 0.253 -8.382 35.708) 36.680 11.419 ( -1.685 -11.562 1.271) 11.754 11.601 ( -4.032 -8.009 -3.035) 9.466 12.254 ( -8.224 -0.639 -5.991) 10.194 12.778 ( -13.192 8.221 0.605) 15.555 14.025 ( 5.157 -20.965 5.993) 22.406 14.540 ( 7.545 -5.061 2.065) 9.317 14.723 ( 1.547 -6.768 -23.601) 24.601 15.029 ( -4.594 -3.534 -1.960) 6.119 15.162 ( 1.792 -4.048 0.471) 4.452 15.421 ( 3.039 2.555 2.536) 4.711 15.760 ( -0.942 -6.613 -2.271) 7.056 16.325 ( -2.397 17.425 -6.430) 18.728 17.332 ( 5.882 -1.458 2.222) 6.454 17.888 ( 0.565 1.106 -2.908) 3.162 19.433 ( 2.985 8.981 2.163) 9.708 19.953 ( -2.437 -5.493 3.809) 7.114 20.577 ( -3.394 -10.083 -3.919) 11.337 20.879 ( 3.414 -6.387 -6.192) 9.528 ======================= Grid point 219 (71/160) ======================= q-point: ( 0.29 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 22.315 9.921 21.104) 32.276 2.476 ( 22.111 20.911 23.084) 38.198 3.472 ( -22.368 3.300 8.409) 24.123 3.607 ( -4.429 9.852 29.895) 31.786 4.009 ( 18.524 18.379 36.441) 44.820 4.791 ( 2.184 7.378 -9.134) 11.942 4.942 ( -1.759 13.123 -9.645) 16.381 5.075 ( -8.469 10.981 -9.483) 16.800 5.936 ( -0.003 3.289 -4.426) 5.515 6.507 ( -17.219 7.095 7.520) 20.084 7.658 ( 26.447 7.628 12.846) 30.375 8.750 ( -11.057 6.635 2.308) 13.100 9.596 ( 0.342 4.677 3.660) 5.949 9.925 ( -6.590 -8.942 -1.579) 11.220 10.191 ( 2.854 -0.763 -6.786) 7.401 10.418 ( 1.077 5.313 12.545) 13.666 10.681 ( 6.121 7.123 18.700) 20.926 10.947 ( -0.988 -8.934 33.170) 34.366 11.383 ( -1.521 -12.387 -0.124) 12.481 11.516 ( -4.536 -8.280 -1.987) 9.648 12.109 ( -5.722 0.242 -1.734) 5.983 12.485 ( -16.314 8.128 -0.346) 18.230 14.161 ( 9.017 -20.787 2.519) 22.798 14.626 ( -0.919 -9.835 -10.710) 14.570 14.812 ( 6.941 2.476 -7.179) 10.288 14.935 ( -4.739 -1.118 0.041) 4.869 15.216 ( 5.972 -1.429 1.064) 6.232 15.491 ( 3.485 -6.235 -0.133) 7.144 15.743 ( -0.254 -4.140 -2.563) 4.876 16.218 ( -9.200 11.852 -2.632) 15.233 17.485 ( 9.894 -0.591 -1.348) 10.003 17.885 ( -1.435 -0.029 -3.173) 3.482 19.511 ( 5.211 7.332 3.153) 9.532 19.878 ( -5.536 -3.350 7.638) 10.010 20.578 ( 3.295 -4.282 -10.174) 11.519 20.887 ( -2.541 -5.329 -7.947) 9.900 ======================= Grid point 220 (72/160) ======================= q-point: ( 0.43 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 29.654 4.424 14.499) 33.304 2.865 ( 5.984 9.428 16.137) 19.624 3.019 ( -12.180 9.599 15.451) 21.891 3.333 ( -19.705 13.690 20.485) 31.550 4.472 ( 24.463 16.495 24.844) 38.571 4.794 ( -5.853 7.398 2.397) 9.733 4.907 ( -1.711 11.270 -9.757) 15.005 4.919 ( -6.341 15.917 -4.924) 17.827 5.983 ( 6.318 3.952 -0.036) 7.452 6.189 ( -15.220 5.507 5.465) 17.084 8.129 ( 22.907 8.218 9.184) 26.012 8.496 ( -16.358 7.999 5.298) 18.964 9.654 ( 5.573 -4.203 3.072) 7.626 9.786 ( -7.857 -8.359 0.232) 11.474 10.275 ( 5.798 3.777 -1.658) 7.116 10.383 ( -4.725 6.591 3.299) 8.755 10.789 ( 5.850 -2.514 28.088) 28.801 10.894 ( -4.735 -8.066 30.471) 31.874 11.386 ( 1.939 -10.617 -0.843) 10.826 11.441 ( -3.547 -8.424 -0.959) 9.190 12.079 ( 2.932 2.980 -1.447) 4.423 12.217 ( -11.525 5.888 -0.872) 12.971 14.347 ( 10.449 -17.759 -2.395) 20.744 14.530 ( -8.427 -12.318 -8.900) 17.377 14.880 ( 0.587 2.767 -1.209) 3.076 14.884 ( -0.627 5.030 -5.827) 7.723 15.388 ( 9.852 -10.199 1.095) 14.223 15.509 ( -2.580 -11.894 -0.057) 12.171 15.797 ( 7.337 5.189 -1.120) 9.056 16.002 ( -12.833 9.923 0.137) 16.222 17.673 ( 9.514 -0.766 -3.203) 10.068 17.820 ( -5.762 -0.760 -3.500) 6.784 19.624 ( 6.798 4.477 5.050) 9.579 19.757 ( -7.101 0.592 7.278) 10.185 20.677 ( 6.576 -2.794 -11.312) 13.380 20.801 ( -6.156 -3.468 -9.761) 12.050 ======================= Grid point 224 (73/160) ======================= q-point: ( 0.00 0.13 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 0.000 31.301 16.988) 35.613 2.522 ( 0.000 27.788 27.829) 39.327 3.592 ( 0.000 27.938 33.617) 43.711 4.095 ( 0.000 5.570 30.641) 31.143 4.225 ( 0.000 21.216 13.570) 25.185 4.843 ( 0.000 3.841 -9.331) 10.091 5.379 ( 0.000 25.685 -11.747) 28.244 5.605 ( 0.000 11.025 -20.937) 23.662 6.089 ( 0.000 13.563 -3.901) 14.113 7.036 ( 0.000 15.273 8.938) 17.696 7.251 ( 0.000 12.811 6.844) 14.525 9.036 ( 0.000 1.761 -0.915) 1.985 9.810 ( 0.000 -15.481 0.142) 15.481 10.010 ( 0.000 9.207 -1.907) 9.402 10.206 ( 0.000 6.711 14.992) 16.426 10.427 ( 0.000 1.968 17.786) 17.894 10.513 ( 0.000 -9.640 3.560) 10.277 10.804 ( 0.000 -1.899 23.827) 23.902 11.165 ( 0.000 -15.093 3.440) 15.480 11.553 ( 0.000 1.725 -7.560) 7.754 12.341 ( 0.000 0.002 -10.181) 10.181 12.999 ( 0.000 -0.259 9.405) 9.408 13.536 ( 0.000 -23.250 3.119) 23.458 14.257 ( 0.000 -20.815 -14.452) 25.340 14.534 ( 0.000 3.202 -6.004) 6.805 14.879 ( 0.000 -8.080 -16.072) 17.989 15.213 ( 0.000 4.667 -0.489) 4.693 15.596 ( 0.000 -10.043 0.370) 10.050 15.638 ( 0.000 12.865 9.944) 16.260 16.630 ( 0.000 8.799 -4.464) 9.866 17.202 ( 0.000 -5.227 5.179) 7.358 17.886 ( 0.000 -2.078 -0.813) 2.232 19.644 ( 0.000 14.140 -0.890) 14.168 19.808 ( 0.000 -11.105 0.968) 11.147 20.230 ( 0.000 -21.465 0.504) 21.471 20.774 ( 0.000 -2.082 -7.506) 7.790 ======================= Grid point 225 (74/160) ======================= q-point: ( 0.14 0.13 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 2.006 30.952 19.048) 36.399 2.627 ( 10.315 24.821 27.333) 38.335 3.726 ( 9.322 20.000 22.436) 31.469 4.000 ( -12.066 9.213 20.054) 25.152 4.218 ( 4.858 23.312 29.151) 37.641 4.883 ( 3.517 5.722 -7.988) 10.436 5.347 ( -4.837 21.007 -11.613) 24.485 5.500 ( -7.060 16.111 -18.111) 25.247 6.089 ( -0.169 12.684 -3.702) 13.214 7.013 ( -8.629 16.978 4.296) 19.523 7.394 ( 19.182 11.746 9.661) 24.480 9.004 ( -3.477 3.454 -1.307) 5.072 9.799 ( -1.839 -14.220 3.134) 14.677 9.895 ( -10.179 9.929 4.124) 14.805 10.123 ( -4.907 -0.609 0.971) 5.039 10.423 ( 0.949 -0.624 22.471) 22.499 10.647 ( 7.317 -11.446 16.841) 21.637 10.828 ( 3.575 4.714 14.187) 15.371 11.149 ( -1.977 -14.278 2.854) 14.694 11.487 ( -6.524 -0.391 -5.524) 8.557 12.247 ( -7.817 0.449 -5.027) 9.304 12.938 ( -8.256 5.823 2.110) 10.321 13.577 ( 4.394 -23.078 1.529) 23.542 14.224 ( 3.302 -20.400 -4.347) 21.117 14.699 ( 9.828 1.294 -11.540) 15.213 14.861 ( -1.714 -9.981 -14.356) 17.568 15.202 ( -0.731 4.127 -0.390) 4.209 15.511 ( -7.272 -3.678 6.756) 10.585 15.663 ( 2.297 3.807 4.678) 6.454 16.565 ( -6.577 7.482 -2.766) 10.339 17.274 ( 7.024 -4.714 3.320) 9.088 17.885 ( -0.359 -2.284 -1.356) 2.680 19.657 ( 1.351 12.880 -0.603) 12.964 19.803 ( -0.432 -9.376 2.465) 9.704 20.296 ( 6.419 -16.987 -4.865) 18.799 20.784 ( 0.641 -3.613 -7.532) 8.378 ======================= Grid point 226 (75/160) ======================= q-point: ( 0.29 0.13 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 14.729 26.345 18.042) 35.164 2.879 ( 15.992 19.785 26.318) 36.603 3.611 ( -21.101 10.877 4.681) 24.197 3.811 ( -7.813 10.076 29.045) 31.720 4.497 ( 22.150 29.597 26.416) 45.435 4.950 ( 3.384 9.319 -5.791) 11.481 5.201 ( -7.753 10.152 -11.480) 17.175 5.428 ( -2.542 24.707 -14.121) 28.572 6.091 ( 0.983 13.841 -1.578) 13.965 6.746 ( -17.952 17.520 7.426) 26.161 7.856 ( 27.122 11.718 5.360) 30.027 8.900 ( -7.938 7.187 -2.167) 10.925 9.684 ( -8.477 2.428 10.427) 13.656 9.743 ( -6.393 -7.168 5.411) 11.024 10.118 ( 4.899 -5.667 -3.723) 8.365 10.439 ( 0.578 -3.545 21.927) 22.220 10.691 ( -1.241 -16.199 29.029) 33.267 10.915 ( -0.171 13.357 7.106) 15.130 11.098 ( -0.529 -14.899 0.667) 14.924 11.354 ( -6.127 -6.344 0.023) 8.819 12.137 ( -2.465 3.238 -2.549) 4.802 12.687 ( -16.651 11.439 -2.221) 20.324 13.726 ( 11.627 -22.664 -1.575) 25.521 14.373 ( 7.691 -15.703 -6.187) 18.548 14.695 ( -5.805 -12.608 -2.111) 14.040 14.914 ( 4.441 -1.151 -12.296) 13.124 15.201 ( 0.734 1.278 -1.809) 2.333 15.374 ( -6.533 -9.621 7.263) 13.711 15.743 ( 6.817 4.975 3.244) 9.041 16.398 ( -11.040 6.511 -0.147) 12.818 17.437 ( 9.856 -4.724 0.740) 10.955 17.859 ( -2.756 -3.288 -2.023) 4.743 19.690 ( 2.071 9.573 0.283) 9.799 19.794 ( -0.685 -4.288 3.422) 5.529 20.439 ( 8.279 -9.972 -11.183) 17.118 20.777 ( -1.805 -5.262 -8.469) 10.133 ======================= Grid point 227 (76/160) ======================= q-point: ( 0.43 0.13 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 23.907 19.627 13.275) 33.660 3.075 ( -14.343 14.856 11.794) 23.781 3.290 ( 6.891 14.538 23.462) 28.448 3.582 ( -15.909 11.566 27.152) 33.527 4.865 ( 12.926 17.591 5.663) 22.552 4.984 ( -1.676 12.400 -3.621) 13.027 5.162 ( 6.677 15.918 -5.885) 18.237 5.341 ( -7.833 26.062 -8.780) 28.595 6.163 ( 7.818 15.654 3.845) 17.915 6.402 ( -17.157 16.957 9.001) 25.747 8.336 ( 23.099 11.648 1.168) 25.896 8.692 ( -14.826 10.507 -1.784) 18.259 9.586 ( -1.423 -1.993 10.508) 10.790 9.626 ( -5.130 -6.785 7.759) 11.513 10.278 ( 10.777 -4.371 2.086) 11.815 10.428 ( -3.223 -4.010 16.542) 17.323 10.661 ( -0.357 -14.122 23.346) 27.287 10.754 ( -10.666 -1.381 11.377) 15.656 11.182 ( 5.748 -7.636 4.630) 10.620 11.269 ( -3.871 -7.921 4.349) 9.831 12.180 ( 7.047 7.640 -3.558) 10.986 12.386 ( -14.399 10.937 -3.212) 18.365 13.989 ( 15.803 -18.578 -4.830) 24.864 14.284 ( -14.357 -12.698 -9.484) 21.385 14.757 ( 9.852 -14.605 3.337) 17.931 14.912 ( -5.012 -4.273 -5.260) 8.429 15.228 ( 2.148 -4.376 -1.917) 5.238 15.280 ( -3.600 -10.610 2.178) 11.413 15.922 ( 11.996 6.912 2.670) 14.100 16.166 ( -13.355 6.854 1.720) 15.109 17.622 ( 9.414 -4.995 -0.990) 10.703 17.773 ( -6.488 -4.534 -1.924) 8.146 19.732 ( 2.363 5.712 1.468) 6.353 19.772 ( -1.710 1.318 2.680) 3.441 20.590 ( 7.520 -6.265 -12.244) 15.675 20.711 ( -5.206 -5.451 -10.457) 12.891 ======================= Grid point 231 (77/160) ======================= q-point: ( 0.00 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 0.000 32.727 9.878) 34.185 3.001 ( 0.000 22.177 26.050) 34.212 4.031 ( 0.000 14.524 14.872) 20.787 4.297 ( 0.000 16.187 12.586) 20.504 4.778 ( 0.000 34.115 22.246) 40.727 4.870 ( 0.000 -0.673 -6.479) 6.514 5.819 ( 0.000 10.594 -8.256) 13.431 5.886 ( 0.000 24.074 -14.723) 28.220 6.363 ( 0.000 13.625 -4.465) 14.338 7.377 ( 0.000 18.234 -0.740) 18.249 7.567 ( 0.000 18.608 5.335) 19.357 9.026 ( 0.000 -2.101 5.277) 5.680 9.454 ( 0.000 -20.163 5.724) 20.960 10.052 ( 0.000 -13.252 11.267) 17.394 10.228 ( 0.000 -4.323 8.185) 9.257 10.387 ( 0.000 4.297 27.934) 28.263 10.487 ( 0.000 10.710 2.881) 11.091 10.734 ( 0.000 -7.133 12.591) 14.471 10.905 ( 0.000 -9.982 10.597) 14.558 11.743 ( 0.000 15.339 -12.764) 19.955 12.356 ( 0.000 1.695 -10.321) 10.459 12.852 ( 0.000 -13.684 14.564) 19.984 13.115 ( 0.000 -19.196 1.103) 19.228 14.006 ( 0.000 -6.165 -16.095) 17.235 14.580 ( 0.000 1.336 -9.111) 9.209 14.684 ( 0.000 -13.027 -11.312) 17.252 15.246 ( 0.000 -1.632 -2.943) 3.366 15.426 ( 0.000 -6.223 -3.620) 7.199 15.901 ( 0.000 14.056 10.749) 17.695 16.706 ( 0.000 -0.585 -1.505) 1.614 17.075 ( 0.000 -7.816 6.447) 10.132 17.781 ( 0.000 -8.661 4.639) 9.826 19.554 ( 0.000 -14.611 0.363) 14.616 19.843 ( 0.000 -14.530 -4.009) 15.073 19.934 ( 0.000 11.576 -5.560) 12.842 20.732 ( 0.000 -2.179 -7.982) 8.274 ======================= Grid point 232 (78/160) ======================= q-point: ( 0.14 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 1.579 33.620 11.949) 35.715 3.068 ( 6.917 21.040 25.697) 33.924 4.033 ( -1.346 11.509 13.557) 17.834 4.212 ( -10.270 14.436 9.870) 20.281 4.773 ( 5.252 22.649 14.180) 27.233 5.004 ( 10.130 13.042 2.842) 16.757 5.627 ( -14.286 10.731 -7.684) 19.450 5.939 ( 1.779 24.903 -14.835) 29.041 6.391 ( 2.493 16.433 -3.281) 16.941 7.399 ( -6.881 21.313 2.658) 22.553 7.644 ( 15.877 12.686 0.968) 20.346 9.020 ( -1.018 -1.463 2.611) 3.161 9.464 ( 1.175 -18.826 8.854) 20.838 9.999 ( -4.409 -8.290 6.766) 11.573 10.116 ( -9.860 2.817 10.479) 14.661 10.367 ( -2.513 -3.575 19.832) 20.307 10.478 ( -0.964 3.717 18.316) 18.714 10.813 ( 5.459 -5.892 8.673) 11.821 10.924 ( 2.907 -8.746 9.083) 12.940 11.639 ( -10.651 13.302 -8.119) 18.877 12.295 ( -4.898 5.084 -5.008) 8.655 12.872 ( 3.313 -14.508 3.138) 15.209 13.232 ( 6.871 -10.973 2.050) 13.108 13.907 ( -3.506 -10.817 -10.714) 15.623 14.625 ( -6.693 -13.443 -11.327) 18.810 14.721 ( 10.819 -0.970 -10.970) 15.438 15.233 ( -1.245 -1.830 -3.185) 3.879 15.360 ( -7.906 -6.827 0.381) 10.453 15.845 ( -2.875 11.317 11.113) 16.119 16.634 ( -6.799 -0.134 -0.164) 6.802 17.148 ( 6.802 -8.082 4.800) 11.603 17.781 ( -0.592 -8.479 2.742) 8.931 19.582 ( 3.060 -11.918 0.628) 12.321 19.921 ( 1.921 9.573 -2.728) 10.138 19.973 ( 9.224 -12.535 -9.326) 18.144 20.724 ( -1.024 -2.805 -8.168) 8.697 ======================= Grid point 233 (79/160) ======================= q-point: ( 0.29 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 9.672 32.488 13.413) 36.455 3.248 ( 11.871 18.367 25.164) 33.339 3.876 ( -17.279 15.185 1.551) 23.056 4.001 ( -9.245 10.643 25.945) 29.528 4.924 ( 7.764 9.053 -1.387) 12.007 5.248 ( 13.629 16.448 4.255) 21.780 5.378 ( -8.184 17.296 -2.438) 19.290 5.947 ( -1.151 26.617 -15.239) 30.692 6.450 ( 4.163 20.850 0.100) 21.262 7.155 ( -16.991 23.044 8.612) 29.898 8.055 ( 24.643 6.666 -6.066) 26.239 8.967 ( -5.253 -1.185 -4.256) 6.864 9.495 ( 1.862 -11.718 15.236) 19.311 9.870 ( -11.470 10.249 7.002) 16.901 9.998 ( 1.722 -7.757 11.042) 13.604 10.327 ( -1.091 -5.967 18.600) 19.564 10.429 ( -3.868 -5.206 21.931) 22.870 10.846 ( -2.248 -10.362 5.277) 11.843 11.027 ( 6.216 -3.173 10.029) 12.218 11.380 ( -15.093 9.150 2.838) 17.876 12.253 ( 1.707 8.779 -4.581) 10.048 12.856 ( -8.851 2.526 -3.646) 9.901 13.344 ( 10.297 -13.516 -3.821) 17.416 14.036 ( 15.048 -18.395 -2.695) 23.918 14.415 ( -15.620 -15.448 -9.192) 23.814 14.875 ( 2.674 -3.076 -11.277) 11.991 15.150 ( -9.553 -11.922 7.252) 16.911 15.214 ( -2.007 -0.752 -2.201) 3.073 15.877 ( 6.255 7.774 7.074) 12.231 16.475 ( -9.972 1.551 1.473) 10.199 17.300 ( 8.993 -9.284 2.880) 13.243 17.739 ( -4.084 -9.239 0.567) 10.117 19.664 ( 5.410 -6.082 0.442) 8.152 19.916 ( -1.451 10.470 -3.365) 11.093 20.210 ( 13.478 -12.913 -11.791) 22.078 20.687 ( -3.178 -4.246 -9.046) 10.486 ======================= Grid point 234 (80/160) ======================= q-point: ( 0.43 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 17.450 27.639 11.248) 34.567 3.432 ( -6.280 20.302 13.451) 25.150 3.572 ( 0.050 15.424 18.802) 24.319 3.794 ( -13.171 10.949 26.129) 31.243 5.043 ( 5.702 4.743 -6.850) 10.097 5.163 ( -7.701 4.770 -7.786) 11.945 5.632 ( 17.644 28.720 0.229) 33.707 5.873 ( -7.716 27.104 -11.845) 30.569 6.569 ( 9.406 23.982 6.690) 26.615 6.821 ( -17.133 24.396 11.548) 31.970 8.492 ( 20.897 1.540 -10.792) 23.569 8.806 ( -12.462 -1.252 -10.492) 16.338 9.540 ( 3.746 0.451 16.541) 16.966 9.662 ( -9.420 9.108 13.191) 18.593 10.117 ( 8.755 -10.193 18.640) 22.978 10.267 ( -6.677 -8.376 27.783) 29.776 10.449 ( 8.696 -5.973 4.232) 11.367 10.692 ( -13.905 -5.104 1.450) 14.883 11.114 ( 3.169 -2.595 12.661) 13.307 11.178 ( -5.479 0.914 12.115) 13.328 12.368 ( 10.158 11.016 -5.786) 16.063 12.608 ( -14.684 10.686 -5.303) 18.919 13.642 ( 19.821 -16.448 -6.459) 26.554 14.034 ( -20.649 -13.553 -10.013) 26.652 14.392 ( 17.994 -20.554 3.685) 27.565 14.718 ( -15.732 -13.880 0.470) 20.985 15.119 ( 3.167 -6.167 -1.048) 7.011 15.176 ( -2.494 -2.977 -3.432) 5.183 16.048 ( 11.165 5.818 4.462) 13.357 16.268 ( -11.850 3.714 2.939) 12.761 17.472 ( 9.158 -10.345 1.328) 13.880 17.630 ( -7.410 -10.328 0.309) 12.715 19.772 ( 5.760 0.318 -0.731) 5.815 19.866 ( -4.009 6.000 -2.306) 7.576 20.438 ( 10.536 -8.950 -12.352) 18.539 20.597 ( -6.549 -6.121 -10.791) 14.029 ======================= Grid point 238 (81/160) ======================= q-point: ( 0.00 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( 0.000 30.155 5.189) 30.598 3.408 ( 0.000 20.050 19.194) 27.756 4.244 ( 0.000 9.631 13.030) 16.203 4.667 ( 0.000 20.321 -3.179) 20.568 4.842 ( 0.000 -1.471 -3.277) 3.592 5.386 ( 0.000 23.636 13.024) 26.987 6.062 ( 0.000 17.110 7.798) 18.803 6.215 ( 0.000 7.733 -20.160) 21.592 6.611 ( 0.000 11.624 -7.710) 13.949 7.651 ( 0.000 7.481 -3.903) 8.438 7.900 ( 0.000 12.882 10.139) 16.393 8.921 ( 0.000 -15.249 -1.184) 15.295 9.169 ( 0.000 0.637 30.837) 30.844 9.685 ( 0.000 -15.886 12.660) 20.314 10.282 ( 0.000 2.870 5.186) 5.927 10.378 ( 0.000 -1.514 4.839) 5.070 10.609 ( 0.000 -2.548 12.790) 13.042 10.661 ( 0.000 0.090 7.581) 7.581 10.946 ( 0.000 16.711 26.490) 31.320 12.031 ( 0.000 10.003 -5.562) 11.446 12.393 ( 0.000 0.868 -12.169) 12.199 12.581 ( 0.000 -9.381 7.002) 11.706 12.830 ( 0.000 -8.422 1.931) 8.641 13.930 ( 0.000 -3.386 -12.293) 12.751 14.367 ( 0.000 -18.953 -3.148) 19.213 14.577 ( 0.000 -1.988 -13.616) 13.761 15.160 ( 0.000 -6.563 -4.305) 7.849 15.376 ( 0.000 0.990 -12.053) 12.094 16.173 ( 0.000 13.528 9.532) 16.549 16.610 ( 0.000 -9.396 -0.024) 9.396 16.903 ( 0.000 -9.661 7.617) 12.303 17.571 ( 0.000 -12.054 9.195) 15.161 19.261 ( 0.000 -14.933 -0.614) 14.945 19.557 ( 0.000 -13.278 -9.935) 16.584 20.177 ( 0.000 11.161 -5.804) 12.580 20.689 ( 0.000 -2.294 -7.434) 7.780 ======================= Grid point 239 (82/160) ======================= q-point: ( 0.14 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( 2.377 29.159 9.281) 30.693 3.469 ( 5.931 21.634 16.679) 27.953 4.221 ( -2.920 9.047 12.967) 16.079 4.539 ( -11.036 17.460 0.709) 20.668 4.912 ( 5.267 2.742 -5.639) 8.189 5.417 ( 1.898 15.731 7.170) 17.392 5.906 ( -7.858 20.353 4.697) 22.317 6.337 ( 6.093 14.096 -16.581) 22.600 6.669 ( 5.931 11.434 -3.959) 13.475 7.734 ( 3.867 7.992 -0.437) 8.889 7.845 ( -1.269 9.019 5.866) 10.833 8.896 ( -2.747 -15.406 -2.672) 15.876 9.236 ( 6.929 2.448 29.683) 30.579 9.701 ( 2.012 -13.748 13.015) 19.038 10.211 ( -6.618 1.389 5.839) 8.934 10.322 ( -4.489 3.753 4.542) 7.407 10.643 ( 2.583 0.126 10.487) 10.801 10.719 ( 3.206 -2.277 16.981) 17.430 10.896 ( -3.718 13.197 19.856) 24.130 11.882 ( -13.564 9.292 -0.706) 16.456 12.458 ( -3.253 9.333 -3.634) 10.530 12.529 ( 7.968 -14.555 -6.943) 17.987 13.040 ( 16.154 -9.738 4.879) 19.482 13.788 ( -11.741 -3.131 -11.952) 17.044 14.306 ( -6.828 -18.685 -4.922) 20.493 14.673 ( 8.051 -4.404 -12.677) 15.650 15.137 ( -3.469 -6.719 -5.049) 9.093 15.298 ( -8.524 -0.242 -8.113) 11.770 16.061 ( -7.355 10.090 11.602) 17.044 16.571 ( -3.976 -5.834 0.911) 7.119 16.965 ( 5.502 -10.607 6.173) 13.450 17.568 ( -1.208 -12.742 6.322) 14.275 19.345 ( 8.470 -12.044 -0.816) 14.747 19.679 ( 12.191 -13.234 -10.760) 20.965 20.161 ( -1.804 10.444 -5.627) 11.999 20.670 ( -2.099 -2.789 -7.688) 8.443 ======================= Grid point 240 (83/160) ======================= q-point: ( 0.29 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 7.109 28.228 11.741) 31.388 3.619 ( 9.901 21.832 16.293) 28.986 4.111 ( -9.287 9.520 11.015) 17.269 4.309 ( -12.781 20.042 8.987) 25.412 5.008 ( 5.020 2.533 -7.722) 9.552 5.375 ( -6.621 3.930 -2.456) 8.081 5.918 ( 9.242 27.774 5.125) 29.716 6.396 ( 0.246 18.033 -17.310) 24.998 6.811 ( 8.813 14.318 2.271) 16.966 7.567 ( -14.838 16.977 12.227) 25.649 8.057 ( 16.527 -5.919 -7.921) 19.259 8.812 ( -6.609 -14.721 -5.697) 17.113 9.408 ( 10.672 4.417 23.069) 25.799 9.776 ( 6.070 -8.671 15.494) 18.764 10.059 ( -8.778 5.235 10.100) 14.369 10.278 ( 1.319 4.162 2.577) 5.070 10.605 ( -12.001 17.470 28.465) 35.489 10.686 ( -0.836 -5.090 8.406) 9.863 10.933 ( 6.196 -3.770 10.673) 12.904 11.578 ( -17.768 9.588 8.569) 21.933 12.442 ( 3.222 7.522 -5.054) 9.618 12.718 ( 8.871 -10.256 -9.676) 16.659 13.271 ( 4.412 1.079 1.223) 4.704 13.682 ( 6.663 -16.740 -4.751) 18.633 14.103 ( -14.566 -16.377 -9.045) 23.711 14.789 ( -2.394 -5.791 -13.348) 14.745 14.944 ( -10.431 -8.916 2.849) 14.015 15.172 ( -3.819 -3.230 -4.189) 6.524 16.023 ( 3.309 6.690 8.420) 11.252 16.466 ( -7.100 -2.060 2.312) 7.746 17.085 ( 7.150 -12.532 4.692) 15.172 17.505 ( -5.516 -14.490 3.218) 15.834 19.545 ( 12.099 -5.904 -1.646) 13.563 19.958 ( 15.528 -12.037 -12.556) 23.317 20.105 ( -3.878 8.146 -4.516) 10.090 20.605 ( -4.985 -4.169 -8.595) 10.775 ======================= Grid point 241 (84/160) ======================= q-point: ( 0.43 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( 11.383 23.916 11.368) 28.823 3.815 ( 7.095 21.182 14.280) 26.513 3.903 ( -8.104 16.164 11.878) 21.635 4.073 ( -12.539 20.466 15.293) 28.460 5.108 ( 5.864 2.497 -6.936) 9.419 5.232 ( -7.498 3.149 -4.937) 9.514 6.151 ( 13.014 23.043 -5.234) 26.977 6.340 ( -6.536 19.646 -14.248) 25.133 7.001 ( 11.981 18.219 8.910) 23.556 7.266 ( -16.066 19.128 13.073) 28.194 8.371 ( 16.200 -11.709 -9.443) 22.107 8.639 ( -12.012 -13.800 -8.423) 20.142 9.607 ( 10.386 3.365 11.997) 16.221 9.792 ( -8.201 -0.314 6.661) 10.570 10.047 ( 11.253 7.880 29.004) 32.093 10.313 ( -13.110 13.807 31.940) 37.185 10.408 ( 7.462 1.482 -1.941) 7.851 10.603 ( -8.889 -1.897 1.995) 9.305 11.069 ( 8.462 -0.722 15.702) 17.852 11.271 ( -13.831 6.933 15.957) 22.226 12.567 ( 9.376 7.950 -6.974) 14.133 12.742 ( -6.947 1.764 -7.892) 10.661 13.388 ( 13.592 -8.584 -5.657) 17.042 13.717 ( -17.595 -19.904 -3.575) 26.805 14.043 ( 19.088 -13.548 -3.305) 23.639 14.451 ( -22.615 -11.967 -0.195) 25.587 14.996 ( 6.124 -7.021 -4.470) 10.333 15.098 ( -4.635 -5.140 -5.014) 8.547 16.143 ( 8.535 3.882 5.371) 10.806 16.313 ( -9.058 0.994 3.697) 9.834 17.228 ( 8.001 -14.447 3.460) 16.873 17.377 ( -7.729 -15.319 2.646) 17.362 19.772 ( 11.669 -0.244 -3.067) 12.068 19.965 ( -8.558 3.822 -5.002) 10.624 20.262 ( 13.687 -8.596 -10.912) 19.501 20.476 ( -9.106 -6.279 -10.050) 14.944 ======================= Grid point 245 (85/160) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.792 ( 0.000 19.575 9.935) 21.952 3.899 ( 0.000 24.044 1.311) 24.079 4.436 ( 0.000 10.335 5.929) 11.914 4.843 ( 0.000 2.500 1.144) 2.749 5.053 ( 0.000 18.344 -6.560) 19.482 5.653 ( 0.000 7.136 5.336) 8.910 6.188 ( 0.000 -9.345 -24.167) 25.911 6.503 ( 0.000 25.219 17.003) 30.415 6.744 ( 0.000 -0.051 -12.775) 12.775 7.656 ( 0.000 -5.069 3.549) 6.188 7.974 ( 0.000 -5.537 19.898) 20.654 8.541 ( 0.000 -19.641 8.681) 21.474 9.423 ( 0.000 20.376 30.580) 36.747 9.564 ( 0.000 4.031 6.326) 7.501 10.282 ( 0.000 -0.945 8.449) 8.501 10.354 ( 0.000 -0.969 -3.105) 3.252 10.687 ( 0.000 4.207 15.368) 15.933 10.697 ( 0.000 9.734 6.851) 11.903 11.263 ( 0.000 11.553 20.894) 23.875 11.939 ( 0.000 -16.020 17.230) 23.527 12.366 ( 0.000 -1.480 -7.880) 8.018 12.677 ( 0.000 15.322 -12.794) 19.961 12.845 ( 0.000 9.039 0.492) 9.052 13.833 ( 0.000 -8.374 -5.142) 9.827 13.999 ( 0.000 -16.077 -3.013) 16.357 14.492 ( 0.000 -6.970 -17.611) 18.940 15.026 ( 0.000 -6.177 -7.429) 9.662 15.441 ( 0.000 4.729 -18.030) 18.640 16.350 ( 0.000 -16.454 1.204) 16.498 16.416 ( 0.000 11.293 8.725) 14.271 16.704 ( 0.000 -10.627 7.678) 13.111 17.341 ( 0.000 -11.134 11.522) 16.023 18.998 ( 0.000 -11.420 -1.426) 11.509 19.319 ( 0.000 -11.515 -10.552) 15.619 20.357 ( 0.000 7.276 -6.247) 9.590 20.643 ( 0.000 -2.354 -6.438) 6.855 ======================= Grid point 246 (86/160) ======================= q-point: ( 0.14 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.814 ( 2.557 19.394 9.743) 21.854 3.967 ( 6.858 25.031 3.189) 26.149 4.405 ( -3.509 10.097 6.506) 12.513 4.803 ( -4.094 8.744 3.125) 10.148 5.055 ( 0.338 12.825 -8.021) 15.131 5.588 ( -5.995 5.411 2.444) 8.437 6.224 ( 3.400 2.182 -13.362) 13.960 6.543 ( 3.992 12.681 -1.755) 13.410 6.809 ( 6.469 2.901 -2.754) 7.606 7.719 ( 6.493 -5.290 3.778) 9.188 7.921 ( -5.518 -3.788 18.039) 19.241 8.536 ( -0.722 -18.384 7.788) 19.979 9.473 ( 4.300 16.956 22.382) 28.407 9.614 ( 6.105 6.519 12.774) 15.586 10.215 ( -4.747 1.531 5.537) 7.452 10.409 ( 2.695 0.158 1.339) 3.014 10.660 ( -0.927 7.340 11.871) 13.987 10.727 ( 2.531 3.542 12.374) 13.117 11.234 ( -3.893 15.275 20.906) 26.183 11.894 ( -5.456 -10.049 15.919) 19.600 12.313 ( -2.102 -1.697 -11.200) 11.521 12.748 ( 1.527 15.248 -8.604) 17.575 12.907 ( 10.350 -1.797 0.652) 10.525 13.726 ( -10.664 -4.723 -7.838) 14.053 13.940 ( -5.725 -16.865 -2.783) 18.026 14.547 ( 5.198 -8.568 -15.501) 18.458 15.007 ( -3.182 -6.026 -7.639) 10.237 15.326 ( -12.363 2.321 -15.745) 20.153 16.176 ( -8.740 -1.144 8.990) 12.590 16.470 ( -0.037 -1.037 3.790) 3.930 16.743 ( 3.565 -11.971 6.873) 14.257 17.310 ( -3.919 -13.349 8.799) 16.461 19.134 ( 13.494 -9.123 -1.713) 16.379 19.446 ( 12.722 -10.912 -10.805) 19.942 20.329 ( -3.077 6.760 -6.070) 9.592 20.615 ( -3.061 -2.792 -6.702) 7.879 ======================= Grid point 247 (87/160) ======================= q-point: ( 0.29 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.889 ( 5.343 18.523 10.015) 21.725 4.135 ( 10.446 27.077 5.554) 29.549 4.305 ( -6.826 11.094 8.295) 15.443 4.696 ( -7.230 18.187 5.860) 20.429 5.075 ( 2.258 5.242 -8.434) 10.184 5.454 ( -8.080 4.588 -0.025) 9.292 6.319 ( 7.021 9.652 -8.221) 14.493 6.608 ( 1.650 4.071 -17.001) 17.559 6.978 ( 11.535 4.375 7.733) 14.561 7.748 ( -10.305 1.958 17.208) 20.153 7.910 ( 10.969 -7.625 1.000) 13.396 8.497 ( -4.102 -15.590 5.188) 16.935 9.558 ( 5.082 9.562 10.471) 15.063 9.781 ( 9.060 8.934 17.418) 21.571 10.139 ( -1.864 5.281 11.011) 12.354 10.428 ( 0.717 4.803 0.602) 4.894 10.639 ( -2.641 5.400 16.045) 17.134 10.841 ( 10.290 3.284 14.912) 18.413 11.091 ( -11.262 20.013 18.138) 29.264 11.715 ( -13.392 2.991 14.485) 19.953 12.371 ( 8.491 -7.628 -10.943) 15.812 12.742 ( -0.318 6.441 -7.858) 10.166 13.170 ( 13.991 -12.005 4.512) 18.980 13.486 ( -13.435 -3.718 -7.992) 16.069 13.812 ( -5.942 -11.413 -7.921) 15.110 14.649 ( 1.767 -8.729 -14.343) 16.883 14.810 ( -16.051 -4.676 -3.723) 17.128 15.102 ( -7.792 -3.807 -9.506) 12.868 16.116 ( 1.680 2.230 7.665) 8.157 16.423 ( -4.446 -1.267 4.089) 6.172 16.823 ( 4.934 -14.058 5.971) 16.050 17.197 ( -7.453 -16.404 6.004) 18.992 19.442 ( 17.935 -4.457 -2.728) 18.680 19.744 ( 17.662 -9.764 -11.376) 23.166 20.236 ( -6.937 5.219 -5.287) 10.164 20.525 ( -6.750 -4.035 -7.540) 10.895 ======================= Grid point 248 (88/160) ======================= q-point: ( 0.43 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( 7.279 16.663 9.785) 20.649 4.154 ( -7.957 13.972 8.389) 18.136 4.347 ( 10.809 27.601 8.256) 30.771 4.539 ( -9.480 24.567 7.308) 27.328 5.153 ( 6.121 2.375 -5.688) 8.687 5.295 ( -8.572 3.333 -2.229) 9.463 6.467 ( 7.919 7.258 -12.407) 16.411 6.585 ( -4.065 4.169 -16.593) 17.585 7.227 ( 14.699 5.957 11.539) 19.613 7.507 ( -14.612 5.830 14.322) 21.275 8.146 ( 13.122 -9.689 0.771) 16.330 8.367 ( -9.807 -12.481 2.187) 16.023 9.674 ( 7.324 6.018 7.590) 12.144 9.809 ( -5.634 4.504 8.299) 10.995 10.244 ( 11.734 7.456 18.316) 22.995 10.430 ( -4.743 -1.134 8.235) 9.570 10.610 ( 4.559 17.444 13.805) 22.708 10.819 ( -14.434 22.225 15.494) 30.698 11.109 ( 15.623 5.231 15.874) 22.878 11.423 ( -17.048 8.240 16.156) 24.891 12.583 ( 12.021 -6.793 -9.707) 16.879 12.731 ( -2.707 -1.043 -9.199) 9.645 13.268 ( -3.356 -9.049 -0.619) 9.671 13.292 ( -5.558 -20.188 -1.396) 20.986 13.889 ( 16.292 -1.756 -8.315) 18.375 14.300 ( -25.010 -2.991 -5.957) 25.883 14.840 ( 7.655 -8.955 -7.350) 13.886 14.978 ( -6.782 -7.085 -8.273) 12.831 16.196 ( 6.065 1.566 5.644) 8.432 16.318 ( -6.468 -0.018 4.714) 8.004 16.927 ( 6.199 -15.956 5.451) 17.965 17.055 ( -7.418 -17.127 5.266) 19.393 19.765 ( 15.960 -0.373 -4.297) 16.533 19.993 ( -2.271 -1.668 -9.295) 9.712 20.135 ( 6.462 -3.500 -6.000) 9.487 20.357 ( -11.270 -5.800 -8.594) 15.314 ======================= Grid point 252 (89/160) ======================= q-point: ( 0.00 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.156 ( 0.000 16.892 1.364) 16.947 4.265 ( 0.000 13.011 -3.370) 13.440 4.655 ( 0.000 12.713 -2.480) 12.953 4.967 ( 0.000 10.260 6.803) 12.310 5.335 ( 0.000 9.928 -4.247) 10.798 5.785 ( 0.000 8.022 4.826) 9.361 5.899 ( 0.000 -18.990 -23.053) 29.868 6.593 ( 0.000 -14.192 -12.613) 18.987 6.948 ( 0.000 19.143 13.769) 23.581 7.517 ( 0.000 -8.479 4.643) 9.667 7.789 ( 0.000 -9.423 24.863) 26.588 8.205 ( 0.000 -14.935 19.422) 24.501 9.766 ( 0.000 14.050 4.028) 14.616 9.859 ( 0.000 22.770 24.670) 33.572 10.306 ( 0.000 3.516 10.560) 11.130 10.329 ( 0.000 -2.121 -1.758) 2.755 10.807 ( 0.000 6.980 17.474) 18.816 10.904 ( 0.000 10.137 0.144) 10.138 11.331 ( 0.000 -3.527 8.552) 9.251 11.575 ( 0.000 -19.830 23.290) 30.588 12.425 ( 0.000 7.705 3.033) 8.280 12.956 ( 0.000 8.695 -6.819) 11.050 13.107 ( 0.000 16.177 -0.509) 16.185 13.591 ( 0.000 -9.961 -4.725) 11.025 13.827 ( 0.000 -4.585 -5.933) 7.499 14.305 ( 0.000 -11.929 -18.852) 22.309 14.954 ( 0.000 -0.544 -13.448) 13.459 15.494 ( 0.000 -2.532 -23.614) 23.749 16.055 ( 0.000 -9.888 4.156) 10.726 16.484 ( 0.000 -11.012 4.722) 11.981 16.620 ( 0.000 8.869 10.297) 13.590 17.140 ( 0.000 -9.728 12.647) 15.956 18.838 ( 0.000 -4.701 -2.245) 5.210 19.106 ( 0.000 -10.331 -8.766) 13.549 20.464 ( 0.000 4.002 -5.997) 7.209 20.599 ( 0.000 -2.149 -5.618) 6.015 ======================= Grid point 253 (90/160) ======================= q-point: ( 0.14 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.175 ( 2.257 17.003 1.440) 17.212 4.352 ( 8.732 13.590 -1.390) 16.213 4.625 ( -3.094 12.895 -0.430) 13.268 4.978 ( 0.798 10.891 5.398) 12.181 5.292 ( -3.990 8.974 -4.645) 10.864 5.701 ( -5.695 6.210 -0.773) 8.461 6.032 ( 9.901 -15.593 -16.784) 24.957 6.571 ( -1.830 -12.383 -12.758) 17.873 6.994 ( 4.765 15.904 13.731) 21.545 7.584 ( 6.925 -8.737 4.296) 11.948 7.782 ( -0.955 -6.364 23.451) 24.318 8.217 ( 1.044 -14.531 18.229) 23.335 9.774 ( 0.920 14.937 4.670) 15.677 9.920 ( 5.748 19.891 21.531) 29.871 10.276 ( -2.016 3.437 4.643) 6.119 10.377 ( 3.595 -1.447 6.615) 7.667 10.795 ( -0.506 5.834 17.389) 18.348 10.909 ( 1.257 12.648 1.204) 12.767 11.381 ( 4.182 -0.900 11.271) 12.056 11.598 ( 2.205 -17.347 21.880) 28.009 12.377 ( -4.116 6.936 -1.493) 8.203 12.968 ( 0.089 2.341 -3.284) 4.034 13.012 ( -8.926 12.736 -1.619) 15.636 13.561 ( -4.628 -7.726 -7.248) 11.560 13.767 ( -4.327 -1.912 -5.872) 7.540 14.344 ( 4.103 -12.073 -16.653) 20.974 14.928 ( -3.425 -1.368 -12.888) 13.405 15.335 ( -15.917 -3.315 -21.068) 26.612 16.062 ( 1.382 -5.226 4.801) 7.230 16.498 ( 1.248 -10.122 4.857) 11.297 16.560 ( -5.005 4.648 10.080) 12.176 17.063 ( -7.662 -11.831 11.086) 17.933 19.008 ( 16.668 -3.522 -2.685) 17.246 19.250 ( 14.227 -9.254 -8.903) 19.165 20.428 ( -3.934 3.685 -5.883) 7.979 20.564 ( -3.849 -2.460 -5.848) 7.421 ======================= Grid point 254 (91/160) ======================= q-point: ( 0.29 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.241 ( 4.563 17.360 2.458) 18.117 4.544 ( -2.831 15.166 -0.051) 15.428 4.571 ( 11.373 13.918 4.861) 18.619 4.981 ( -0.750 11.852 3.968) 12.521 5.221 ( -2.602 8.622 -5.101) 10.350 5.574 ( -8.463 8.449 -0.476) 11.968 6.216 ( 9.321 -16.095 -15.533) 24.232 6.536 ( -2.105 -12.600 -13.832) 18.829 7.129 ( 9.953 12.267 13.572) 20.827 7.713 ( -1.483 -5.716 11.936) 13.317 7.780 ( 7.833 -3.480 12.271) 14.969 8.222 ( -1.182 -13.054 14.714) 19.705 9.803 ( 2.356 14.812 5.009) 15.813 10.011 ( 1.709 12.984 14.020) 19.185 10.259 ( 1.447 5.179 6.001) 8.057 10.426 ( 0.770 -1.701 9.157) 9.346 10.826 ( 4.510 9.939 20.255) 23.009 11.001 ( 10.068 13.671 4.476) 17.558 11.412 ( -3.158 9.933 18.146) 20.927 11.638 ( 0.972 -10.154 19.101) 21.654 12.334 ( 1.336 2.769 -10.790) 11.220 12.808 ( -10.274 2.008 -3.449) 11.022 12.937 ( -4.749 -11.036 0.168) 12.015 13.374 ( -14.487 -7.945 -7.401) 18.104 13.767 ( 5.420 6.305 -8.688) 12.026 14.452 ( 6.751 -11.296 -13.616) 18.936 14.759 ( -16.632 -0.672 -10.270) 19.559 15.020 ( -13.373 -4.924 -15.526) 21.075 16.116 ( 4.270 -0.664 4.968) 6.584 16.443 ( -5.890 3.049 8.115) 10.480 16.552 ( 3.175 -13.471 5.753) 14.988 16.894 ( -9.282 -14.141 9.359) 19.332 19.382 ( 21.499 -1.496 -3.669) 21.861 19.578 ( 19.431 -7.351 -9.200) 22.721 20.312 ( -8.694 2.779 -5.409) 10.610 20.452 ( -8.225 -3.391 -6.539) 11.041 ======================= Grid point 255 (92/160) ======================= q-point: ( 0.43 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.338 ( 5.693 17.224 3.441) 18.464 4.446 ( -5.722 16.193 3.515) 17.530 4.810 ( 10.811 16.126 5.413) 20.155 4.942 ( -3.866 14.154 4.428) 15.326 5.230 ( 4.477 7.811 -4.626) 10.122 5.387 ( -10.754 8.257 -1.427) 13.634 6.370 ( 7.071 -15.694 -14.575) 22.555 6.478 ( -4.376 -14.503 -14.198) 20.762 7.354 ( 13.198 9.096 13.184) 20.754 7.582 ( -10.307 4.331 14.573) 18.368 7.982 ( 10.904 -8.372 7.329) 15.579 8.152 ( -6.637 -10.677 10.226) 16.205 9.868 ( 4.646 12.904 6.173) 15.040 9.966 ( -5.067 10.752 8.482) 14.602 10.326 ( 4.473 1.496 6.943) 8.393 10.401 ( -3.107 -1.756 8.350) 9.081 10.983 ( 12.280 18.551 21.217) 30.742 11.240 ( -11.898 18.572 21.372) 30.712 11.277 ( 15.781 11.881 11.105) 22.661 11.561 ( -10.663 4.422 16.497) 20.134 12.447 ( 9.864 -4.216 -12.813) 16.710 12.646 ( -9.436 -7.746 -7.410) 14.281 12.875 ( 3.167 -18.694 -1.278) 19.003 13.078 ( -15.584 -12.711 -4.991) 20.721 13.969 ( 15.664 8.652 -9.221) 20.131 14.324 ( -20.999 4.636 -10.521) 23.941 14.649 ( 8.503 -10.664 -9.604) 16.681 14.824 ( -9.569 -8.666 -11.922) 17.573 16.213 ( 5.869 0.752 5.509) 8.085 16.328 ( -6.310 1.340 6.689) 9.293 16.628 ( 4.963 -14.208 6.590) 16.429 16.740 ( -7.059 -14.572 7.947) 18.037 19.765 ( 18.637 0.556 -4.847) 19.265 19.922 ( 14.171 -4.311 -9.458) 17.574 20.113 ( -10.291 0.106 -4.262) 11.139 20.253 ( -12.964 -4.838 -7.274) 15.633 ======================= Grid point 259 (93/160) ======================= q-point: ( 0.00 0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.392 ( 0.000 6.390 -4.287) 7.695 4.417 ( 0.000 3.213 -5.747) 6.585 4.955 ( 0.000 17.688 -8.203) 19.498 5.160 ( 0.000 4.155 5.198) 6.655 5.439 ( 0.000 1.059 1.106) 1.531 5.525 ( 0.000 -15.331 -14.270) 20.945 5.977 ( 0.000 12.051 0.011) 12.051 6.268 ( 0.000 -17.279 -7.272) 18.747 7.210 ( 0.000 8.158 5.022) 9.580 7.351 ( 0.000 -7.893 2.401) 8.250 7.741 ( 0.000 5.789 28.318) 28.904 7.941 ( 0.000 -12.548 26.114) 28.973 10.040 ( 0.000 13.083 2.758) 13.370 10.238 ( 0.000 1.052 3.767) 3.911 10.253 ( 0.000 6.678 12.828) 14.462 10.374 ( 0.000 1.170 11.171) 11.232 10.931 ( 0.000 6.355 25.713) 26.486 11.042 ( 0.000 1.411 3.937) 4.182 11.224 ( 0.000 -5.168 -2.096) 5.577 11.231 ( 0.000 -11.754 20.017) 23.213 12.631 ( 0.000 12.714 8.201) 15.129 12.889 ( 0.000 -12.270 7.429) 14.344 13.406 ( 0.000 12.999 -0.808) 13.024 13.556 ( 0.000 -0.802 -9.586) 9.620 13.812 ( 0.000 6.233 -10.368) 12.097 14.045 ( 0.000 -14.248 -18.059) 23.003 15.031 ( 0.000 8.938 -18.854) 20.865 15.285 ( 0.000 -15.391 -21.851) 26.727 16.059 ( 0.000 7.846 1.487) 7.986 16.260 ( 0.000 -11.533 1.764) 11.667 16.790 ( 0.000 8.552 11.864) 14.625 16.959 ( 0.000 -8.938 12.885) 15.681 18.819 ( 0.000 2.630 -3.798) 4.620 18.926 ( 0.000 -7.809 -6.188) 9.964 20.522 ( 0.000 2.234 -5.538) 5.971 20.560 ( 0.000 -1.871 -5.318) 5.638 ======================= Grid point 260 (94/160) ======================= q-point: ( 0.14 0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.429 ( 4.134 8.282 -3.832) 10.018 4.494 ( 7.610 1.606 -3.977) 8.736 4.921 ( -3.075 16.906 -4.943) 17.880 5.146 ( -2.026 -0.133 2.052) 2.887 5.408 ( -0.418 6.372 -0.951) 6.456 5.617 ( 6.740 -13.873 -11.696) 19.357 5.966 ( -1.459 10.774 -0.309) 10.877 6.255 ( -1.509 -17.409 -7.310) 18.942 7.248 ( 4.197 9.366 6.503) 12.150 7.406 ( 5.911 -8.460 3.253) 10.821 7.770 ( 2.467 5.619 25.827) 26.547 7.959 ( 1.592 -12.169 24.200) 27.134 10.053 ( 1.151 12.859 2.483) 13.147 10.246 ( 0.148 -6.445 0.811) 6.498 10.262 ( 1.034 13.254 14.235) 19.478 10.390 ( 1.262 -0.120 11.715) 11.783 10.930 ( 1.933 9.370 22.146) 24.124 11.122 ( 7.106 5.247 5.853) 10.596 11.214 ( 2.519 -10.659 12.338) 16.498 11.328 ( 7.310 -9.333 9.609) 15.261 12.568 ( -6.351 12.197 5.663) 14.872 12.827 ( -6.618 -13.233 6.071) 15.993 13.285 ( -12.078 13.370 -3.185) 18.297 13.476 ( -9.543 -5.628 -7.414) 13.331 13.844 ( 3.998 10.043 -11.164) 15.540 14.090 ( 4.695 -13.659 -15.743) 21.365 14.977 ( -6.014 6.738 -18.249) 20.362 15.172 ( -11.608 -11.654 -21.191) 26.826 16.082 ( 2.481 6.798 2.317) 7.598 16.271 ( 1.268 -11.450 2.395) 11.767 16.694 ( -8.623 7.542 12.249) 16.772 16.856 ( -9.537 -9.375 12.699) 18.442 18.999 ( 17.396 2.420 -4.225) 18.064 19.092 ( 16.172 -6.781 -6.441) 18.682 20.482 ( -4.356 2.130 -5.546) 7.367 20.521 ( -4.316 -1.989 -5.461) 7.239 ======================= Grid point 261 (95/160) ======================= q-point: ( 0.29 0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.533 ( 6.526 11.846 -1.942) 13.663 4.675 ( 10.860 -2.104 -0.949) 11.103 4.855 ( -3.754 16.068 -1.272) 16.550 5.087 ( -3.893 -4.730 0.385) 6.138 5.437 ( 3.286 15.565 -1.958) 16.028 5.727 ( 3.446 -4.161 -9.237) 10.701 5.926 ( -1.638 -0.241 -2.332) 2.860 6.204 ( -4.022 -18.819 -7.347) 20.599 7.373 ( 9.122 11.299 8.725) 16.942 7.562 ( 10.067 -8.608 5.026) 14.167 7.803 ( 0.281 5.542 20.813) 21.540 7.980 ( -0.036 -11.616 19.206) 22.446 10.079 ( 1.659 12.374 2.711) 12.776 10.235 ( -1.560 3.820 8.083) 9.075 10.275 ( 0.362 1.486 4.702) 4.944 10.392 ( -1.555 -3.257 10.852) 11.437 11.050 ( 10.946 13.748 23.055) 28.989 11.281 ( 10.439 13.408 4.733) 17.640 11.341 ( 10.179 -14.754 18.596) 25.829 11.482 ( 7.745 -6.302 13.654) 16.916 12.434 ( -5.951 8.235 -1.865) 10.330 12.656 ( -10.862 -13.508 1.636) 17.410 12.984 ( -19.188 11.471 -6.037) 23.157 13.204 ( -18.736 -10.015 -7.566) 22.552 13.965 ( 8.957 12.473 -10.460) 18.580 14.216 ( 8.676 -12.805 -12.426) 19.840 14.790 ( -14.515 4.025 -15.525) 21.631 14.903 ( -14.905 -6.749 -17.970) 24.303 16.151 ( 4.820 5.100 3.911) 8.033 16.312 ( 3.204 -10.825 4.199) 12.045 16.526 ( -8.528 5.415 11.032) 14.958 16.665 ( -9.760 -9.259 11.695) 17.826 19.388 ( 22.412 2.039 -4.937) 23.040 19.458 ( 21.358 -5.008 -6.826) 22.975 20.355 ( -9.458 1.917 -5.516) 11.116 20.395 ( -9.222 -2.432 -5.871) 11.199 ======================= Grid point 262 (96/160) ======================= q-point: ( 0.43 0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.658 ( 6.434 14.729 -0.185) 16.074 4.764 ( -4.648 15.271 0.500) 15.970 4.877 ( 8.438 -5.849 0.746) 10.294 5.004 ( -5.235 -6.804 0.787) 8.621 5.532 ( 6.923 20.964 -2.753) 22.248 5.677 ( -7.387 19.257 -3.146) 20.864 5.977 ( 6.285 -21.952 -7.572) 24.056 6.104 ( -6.535 -21.636 -7.563) 23.833 7.565 ( 10.330 11.532 10.974) 18.977 7.703 ( -1.103 6.249 11.628) 13.247 7.807 ( 5.209 -7.765 11.858) 15.102 7.934 ( -5.225 -11.450 13.278) 18.295 10.120 ( 2.887 11.655 4.816) 12.937 10.184 ( -3.581 10.320 8.156) 13.633 10.293 ( 1.829 -5.104 4.154) 6.831 10.342 ( -3.153 -5.071 8.005) 9.986 11.301 ( 14.295 14.266 23.461) 30.956 11.490 ( 5.544 6.659 16.387) 18.537 11.505 ( 3.111 5.297 16.251) 17.373 11.539 ( 1.770 -3.891 21.161) 21.588 12.443 ( 6.836 0.469 -11.584) 13.459 12.486 ( -4.230 -6.374 -6.489) 10.032 12.644 ( -12.316 -0.477 -8.256) 14.835 12.818 ( -20.809 -13.164 -9.053) 26.234 14.177 ( 13.575 11.898 -10.189) 20.728 14.398 ( 7.672 -7.269 -12.257) 16.185 14.483 ( -13.365 3.579 -11.173) 17.783 14.646 ( -13.063 -9.459 -13.546) 21.062 16.255 ( 6.165 4.258 5.933) 9.557 16.375 ( -4.264 1.304 8.570) 9.660 16.396 ( 2.333 -6.838 6.483) 9.707 16.507 ( -7.190 -9.149 9.288) 14.888 19.791 ( 19.977 2.141 -5.408) 20.806 19.846 ( 19.295 -3.414 -6.930) 20.784 20.126 ( -14.834 1.443 -5.365) 15.841 20.173 ( -14.573 -3.329 -6.346) 16.240 ======================= Grid point 315 (97/160) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 0.000 0.000 34.274) 34.274 2.359 ( 0.000 0.000 36.232) 36.232 3.955 ( 0.000 0.000 9.423) 9.423 4.071 ( 0.000 0.000 28.490) 28.490 4.247 ( 0.000 0.000 -22.514) 22.514 4.312 ( 0.000 0.000 -7.467) 7.467 4.632 ( 0.000 0.000 -10.506) 10.506 5.267 ( 0.000 0.000 28.970) 28.970 5.671 ( 0.000 0.000 -9.844) 9.844 6.922 ( 0.000 0.000 -2.715) 2.715 7.357 ( 0.000 0.000 21.092) 21.092 8.880 ( 0.000 0.000 -11.309) 11.309 9.431 ( 0.000 0.000 3.540) 3.540 9.898 ( 0.000 0.000 -11.601) 11.601 10.131 ( 0.000 0.000 9.896) 9.896 10.518 ( 0.000 0.000 7.626) 7.626 11.212 ( 0.000 0.000 45.690) 45.690 11.576 ( 0.000 0.000 1.041) 1.041 11.685 ( 0.000 0.000 -2.502) 2.502 11.709 ( 0.000 0.000 26.101) 26.101 12.104 ( 0.000 0.000 -10.149) 10.149 12.806 ( 0.000 0.000 -1.705) 1.705 14.169 ( 0.000 0.000 -16.415) 16.415 14.207 ( 0.000 0.000 -33.990) 33.990 14.508 ( 0.000 0.000 15.132) 15.132 15.236 ( 0.000 0.000 8.439) 8.439 15.322 ( 0.000 0.000 6.104) 6.104 15.388 ( 0.000 0.000 -11.491) 11.491 15.733 ( 0.000 0.000 -6.222) 6.222 15.799 ( 0.000 0.000 -5.273) 5.273 17.401 ( 0.000 0.000 5.725) 5.725 17.785 ( 0.000 0.000 -4.723) 4.723 19.420 ( 0.000 0.000 7.910) 7.910 20.003 ( 0.000 0.000 -4.059) 4.059 20.730 ( 0.000 0.000 -3.058) 3.058 20.816 ( 0.000 0.000 -2.740) 2.740 ======================= Grid point 316 (98/160) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 5.752 0.000 31.353) 31.876 2.457 ( 10.079 0.000 33.093) 34.594 3.852 ( -9.451 0.000 6.270) 11.342 4.087 ( -13.472 0.000 -22.408) 26.147 4.252 ( 9.222 0.000 42.772) 43.755 4.309 ( 5.175 0.000 -18.119) 18.843 4.624 ( -0.885 0.000 -10.709) 10.746 5.277 ( 0.801 0.000 29.439) 29.449 5.713 ( 3.821 0.000 -8.211) 9.056 6.894 ( -5.020 0.000 4.333) 6.631 7.441 ( 10.473 0.000 13.146) 16.808 8.823 ( -5.941 0.000 -10.257) 11.853 9.464 ( 3.473 0.000 3.073) 4.638 9.891 ( -0.842 0.000 -10.731) 10.764 10.145 ( 1.713 0.000 9.308) 9.464 10.554 ( 3.132 0.000 9.149) 9.670 11.227 ( 1.889 0.000 43.388) 43.429 11.556 ( -2.015 0.000 0.721) 2.141 11.649 ( -3.649 0.000 -2.292) 4.309 11.710 ( 0.001 0.000 25.459) 25.459 12.053 ( -5.190 0.000 -11.015) 12.177 12.680 ( -12.054 0.000 2.030) 12.224 14.122 ( -2.292 0.000 -31.838) 31.921 14.279 ( 3.650 0.000 -24.265) 24.538 14.556 ( 4.944 0.000 14.550) 15.367 15.205 ( -3.189 0.000 8.362) 8.950 15.329 ( 2.939 0.000 10.919) 11.308 15.411 ( 2.296 0.000 -10.868) 11.108 15.719 ( -1.519 0.000 -6.417) 6.594 15.896 ( 7.671 0.000 -5.456) 9.413 17.409 ( 1.194 0.000 4.444) 4.602 17.793 ( 0.478 0.000 -5.217) 5.239 19.459 ( 4.141 0.000 8.049) 9.051 20.019 ( 1.535 0.000 -3.087) 3.448 20.626 ( -7.911 0.000 0.015) 7.911 20.838 ( -0.291 0.000 -5.797) 5.804 ======================= Grid point 317 (99/160) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 15.698 0.000 22.586) 27.505 2.710 ( 16.150 0.000 25.788) 30.428 3.635 ( -13.528 0.000 6.885) 15.179 3.676 ( -26.227 0.000 -12.030) 28.855 4.407 ( 5.001 0.000 -15.066) 15.874 4.553 ( 18.505 0.000 30.801) 35.933 4.599 ( -1.832 0.000 -11.299) 11.447 5.265 ( -3.298 0.000 23.293) 23.526 5.823 ( 9.016 0.000 3.732) 9.758 6.707 ( -14.288 0.000 15.323) 20.951 7.741 ( 19.784 0.000 0.600) 19.793 8.666 ( -10.680 0.000 -8.580) 13.699 9.554 ( 5.990 0.000 1.594) 6.199 9.860 ( -2.620 0.000 -8.216) 8.624 10.206 ( 5.029 0.000 9.605) 10.842 10.587 ( -0.965 0.000 13.823) 13.857 11.299 ( 6.144 0.000 35.100) 35.634 11.511 ( -2.484 0.000 -0.072) 2.485 11.567 ( -4.520 0.000 -1.936) 4.917 11.697 ( -2.127 0.000 22.577) 22.677 11.946 ( -4.417 0.000 -9.732) 10.687 12.414 ( -15.276 0.000 7.279) 16.922 14.101 ( 0.303 0.000 -35.226) 35.227 14.294 ( -2.119 0.000 -27.412) 27.494 14.680 ( 7.971 0.000 13.152) 15.379 15.121 ( -5.734 0.000 8.950) 10.630 15.468 ( 3.616 0.000 -9.945) 10.582 15.472 ( 11.755 0.000 14.807) 18.906 15.678 ( -2.845 0.000 -6.982) 7.539 15.994 ( 1.366 0.000 -1.222) 1.833 17.464 ( 4.957 0.000 0.432) 4.976 17.785 ( -1.785 0.000 -6.136) 6.391 19.571 ( 7.768 0.000 8.492) 11.509 20.035 ( -1.187 0.000 1.625) 2.013 20.500 ( -3.907 0.000 -1.595) 4.220 20.784 ( -5.276 0.000 -7.430) 9.113 ======================= Grid point 318 (100/160) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 24.331 0.000 10.728) 26.591 3.032 ( 17.725 0.000 17.801) 25.121 3.162 ( -27.890 0.000 -1.015) 27.908 3.354 ( -16.356 0.000 11.172) 19.807 4.491 ( 3.972 0.000 -13.429) 14.004 4.555 ( -2.870 0.000 -12.221) 12.554 4.882 ( 15.959 0.000 20.291) 25.815 5.133 ( -10.581 0.000 16.896) 19.936 6.065 ( 16.305 0.000 17.232) 23.724 6.396 ( -18.098 0.000 20.175) 27.103 8.114 ( 18.954 0.000 -5.639) 19.775 8.429 ( -14.705 0.000 -7.670) 16.585 9.676 ( 6.623 0.000 -1.031) 6.703 9.788 ( -5.097 0.000 -4.606) 6.870 10.336 ( 8.635 0.000 12.712) 15.368 10.500 ( -7.802 0.000 15.930) 17.738 11.447 ( 8.831 0.000 23.694) 25.286 11.479 ( -0.541 0.000 -0.972) 1.113 11.498 ( -2.556 0.000 -1.596) 3.013 11.603 ( -7.467 0.000 16.761) 18.349 11.956 ( 5.876 0.000 1.659) 6.106 12.142 ( -13.104 0.000 7.759) 15.229 14.139 ( 3.615 0.000 -33.492) 33.686 14.222 ( -4.789 0.000 -30.574) 30.947 14.839 ( 8.698 0.000 11.541) 14.452 14.994 ( -7.720 0.000 10.087) 12.702 15.541 ( 4.085 0.000 -8.906) 9.798 15.615 ( -3.772 0.000 -7.855) 8.713 15.719 ( 13.359 0.000 12.349) 18.192 15.929 ( -8.078 0.000 6.267) 10.224 17.586 ( 7.495 0.000 -4.052) 8.520 17.715 ( -5.659 0.000 -6.180) 8.379 19.743 ( 10.318 0.000 8.882) 13.614 19.934 ( -9.096 0.000 7.717) 11.929 20.521 ( 5.583 0.000 -6.660) 8.691 20.657 ( -7.800 0.000 -7.801) 11.032 ======================= Grid point 322 (101/160) ======================= q-point: ( 0.00 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.000 13.184 30.447) 33.179 2.596 ( 0.000 21.800 32.407) 39.057 3.870 ( 0.000 -2.415 1.379) 2.781 4.299 ( 0.000 13.257 38.057) 40.300 4.367 ( 0.000 10.900 -21.452) 24.062 4.455 ( 0.000 17.216 -6.099) 18.264 4.771 ( 0.000 13.702 -9.646) 16.757 5.250 ( 0.000 -0.181 24.663) 24.663 5.738 ( 0.000 7.222 -9.945) 12.290 6.940 ( 0.000 1.947 -5.329) 5.673 7.393 ( 0.000 3.908 20.742) 21.107 8.887 ( 0.000 0.718 -12.238) 12.260 9.620 ( 0.000 16.776 -0.504) 16.784 9.945 ( 0.000 2.757 -10.591) 10.944 10.119 ( 0.000 0.804 13.103) 13.128 10.536 ( 0.000 1.506 6.154) 6.336 11.230 ( 0.000 1.297 46.245) 46.263 11.468 ( 0.000 -9.971 1.478) 10.080 11.571 ( 0.000 -9.960 -2.640) 10.304 11.659 ( 0.000 -5.550 28.354) 28.892 12.115 ( 0.000 0.779 -9.694) 9.726 12.897 ( 0.000 8.256 -2.881) 8.744 13.994 ( 0.000 -18.863 -9.357) 21.057 14.125 ( 0.000 -9.081 -32.886) 34.117 14.426 ( 0.000 -3.317 4.436) 5.539 14.965 ( 0.000 -26.135 -7.129) 27.090 15.212 ( 0.000 1.057 6.299) 6.387 15.558 ( 0.000 16.396 9.683) 19.042 15.685 ( 0.000 -4.069 -5.885) 7.155 16.183 ( 0.000 22.295 -7.872) 23.644 17.384 ( 0.000 -1.836 6.029) 6.302 17.792 ( 0.000 0.637 -5.476) 5.513 19.485 ( 0.000 6.433 6.132) 8.887 19.960 ( 0.000 -4.551 -2.848) 5.369 20.651 ( 0.000 -15.979 -0.776) 15.997 20.689 ( 0.000 -3.841 -4.866) 6.199 ======================= Grid point 323 (102/160) ======================= q-point: ( 0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 4.175 12.251 29.521) 32.234 2.692 ( 9.725 21.107 29.113) 37.251 3.799 ( -8.893 -1.463 -3.997) 9.860 4.281 ( -10.966 9.843 8.261) 16.893 4.363 ( 5.017 14.669 2.343) 15.680 4.469 ( 6.601 16.539 3.722) 18.193 4.761 ( -1.189 13.544 -10.040) 16.902 5.259 ( 0.922 -0.643 26.247) 26.271 5.772 ( 3.313 6.481 -7.599) 10.522 6.932 ( -3.487 4.168 2.220) 5.870 7.467 ( 9.827 2.757 12.308) 15.989 8.835 ( -5.475 1.222 -11.634) 12.915 9.623 ( 0.489 13.983 0.442) 13.998 9.935 ( -1.469 3.791 -9.803) 10.613 10.111 ( 0.485 -2.797 13.244) 13.545 10.606 ( 6.037 5.196 7.178) 10.723 11.242 ( 1.654 0.808 44.037) 44.075 11.440 ( -2.869 -10.555 1.355) 11.022 11.528 ( -4.246 -10.801 -1.611) 11.717 11.663 ( 0.432 -4.936 26.882) 27.335 12.063 ( -5.251 0.737 -10.188) 11.486 12.757 ( -13.289 7.219 -0.289) 15.126 13.971 ( -1.388 -17.786 -18.632) 25.796 14.156 ( 1.989 -9.286 -26.723) 28.361 14.527 ( 9.281 -1.161 2.684) 9.731 14.993 ( 3.042 -22.082 -2.961) 22.487 15.219 ( 0.508 -1.277 4.583) 4.785 15.563 ( 0.806 13.327 9.643) 16.469 15.678 ( -0.524 -2.681 -4.934) 5.640 16.197 ( 0.873 19.185 -6.582) 20.301 17.400 ( 2.000 -1.050 4.476) 5.014 17.796 ( 0.155 0.265 -5.809) 5.817 19.519 ( 3.523 5.876 6.290) 9.301 19.976 ( 1.479 -4.543 -1.933) 5.154 20.538 ( -7.027 -9.709 -0.126) 11.986 20.746 ( 1.344 -7.728 -6.306) 10.065 ======================= Grid point 324 (103/160) ======================= q-point: ( 0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 13.471 9.736 23.826) 29.051 2.933 ( 15.251 19.282 22.257) 33.163 3.538 ( -18.092 0.257 -2.931) 18.330 3.973 ( -18.587 18.557 2.157) 26.353 4.517 ( 6.851 9.812 -12.692) 17.444 4.654 ( 13.588 11.506 22.478) 28.675 4.728 ( -2.131 12.439 -9.782) 15.967 5.256 ( -2.520 -0.035 20.926) 21.078 5.880 ( 9.312 6.382 4.806) 12.270 6.765 ( -13.577 6.459 14.921) 21.183 7.763 ( 19.858 2.122 -1.690) 20.042 8.687 ( -10.195 2.156 -10.705) 14.939 9.645 ( 2.043 7.797 1.685) 8.234 9.880 ( -4.260 1.904 -4.600) 6.553 10.179 ( 7.053 -2.524 11.135) 13.420 10.684 ( 0.354 9.770 12.481) 15.854 11.304 ( 3.940 -2.521 32.907) 33.238 11.373 ( -3.041 -10.468 2.516) 11.188 11.438 ( -4.185 -11.882 0.615) 12.612 11.665 ( -0.789 -3.554 24.231) 24.503 11.955 ( -4.463 0.919 -10.027) 11.014 12.466 ( -16.577 5.259 3.525) 17.745 13.970 ( 1.594 -14.903 -25.648) 29.706 14.167 ( -1.119 -8.803 -26.206) 27.668 14.705 ( 8.803 1.418 2.363) 9.224 15.046 ( 0.346 -10.898 5.423) 12.177 15.250 ( 4.553 -8.531 -0.563) 9.686 15.571 ( -1.461 -1.052 2.137) 2.795 15.704 ( 4.998 7.277 3.744) 9.590 16.180 ( -3.480 13.362 -1.819) 13.927 17.470 ( 5.504 0.245 0.280) 5.516 17.784 ( -1.851 -0.221 -6.366) 6.634 19.613 ( 6.441 4.101 6.796) 10.222 19.991 ( -1.090 -4.576 2.240) 5.210 20.441 ( -2.063 -5.939 -2.753) 6.863 20.720 ( -3.940 -5.992 -7.941) 10.700 ======================= Grid point 325 (104/160) ======================= q-point: ( 0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 21.074 6.010 14.206) 26.116 3.095 ( -16.412 2.973 6.850) 18.031 3.300 ( 11.593 18.863 12.251) 25.305 3.623 ( -18.674 20.147 8.034) 28.621 4.614 ( 4.063 11.266 -12.794) 17.524 4.679 ( -2.975 11.724 -11.486) 16.680 4.924 ( 13.692 4.946 16.004) 21.635 5.143 ( -9.333 1.807 13.795) 16.753 6.130 ( 16.666 7.188 18.092) 25.627 6.463 ( -17.889 7.325 20.477) 28.160 8.139 ( 19.128 2.372 -8.217) 20.953 8.455 ( -14.645 2.574 -10.183) 18.022 9.702 ( 4.048 2.215 1.429) 4.831 9.790 ( -5.049 0.108 -0.647) 5.091 10.365 ( 12.154 2.695 12.659) 17.755 10.588 ( -10.051 8.546 15.567) 20.406 11.298 ( -0.532 -15.600 3.488) 15.994 11.330 ( -3.434 -12.989 3.804) 13.963 11.490 ( 7.528 0.452 19.222) 20.648 11.611 ( -4.990 -0.594 18.919) 19.575 11.966 ( 6.316 1.243 -2.022) 6.747 12.170 ( -14.401 3.110 3.911) 15.243 14.029 ( 4.352 -11.337 -28.164) 30.670 14.114 ( -4.215 -9.140 -28.019) 29.772 14.855 ( 7.473 0.669 5.629) 9.380 14.983 ( -5.889 -2.136 7.667) 9.901 15.380 ( 7.590 -11.625 -3.695) 14.367 15.503 ( -5.327 -8.335 -3.187) 10.392 15.862 ( 10.686 9.695 8.102) 16.548 16.058 ( -9.262 9.908 4.453) 14.276 17.595 ( 7.279 0.462 -3.949) 8.294 17.717 ( -5.329 -0.066 -6.090) 8.093 19.754 ( 8.376 1.047 7.354) 11.195 19.908 ( -7.322 -2.621 6.755) 10.301 20.483 ( 5.775 -3.873 -7.260) 10.053 20.612 ( -7.068 -4.371 -8.346) 11.778 ======================= Grid point 329 (105/160) ======================= q-point: ( 0.00 0.13 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 0.000 22.182 22.396) 31.522 3.082 ( 0.000 25.454 27.140) 37.208 3.893 ( 0.000 4.889 -6.222) 7.913 4.513 ( 0.000 9.027 18.899) 20.944 4.582 ( 0.000 9.201 -16.457) 18.854 4.912 ( 0.000 25.486 35.084) 43.364 5.131 ( 0.000 22.029 -11.427) 24.816 5.352 ( 0.000 13.061 4.489) 13.811 5.956 ( 0.000 14.445 -9.074) 17.059 7.010 ( 0.000 5.895 -11.746) 13.142 7.521 ( 0.000 9.589 18.772) 21.079 8.905 ( 0.000 0.993 -13.623) 13.659 9.895 ( 0.000 -6.485 5.328) 8.392 9.960 ( 0.000 16.052 -2.430) 16.235 10.271 ( 0.000 13.576 7.207) 15.371 10.531 ( 0.000 -4.306 3.105) 5.309 11.131 ( 0.000 -14.957 19.943) 24.928 11.349 ( 0.000 1.865 30.152) 30.210 11.388 ( 0.000 -6.704 6.250) 9.165 11.504 ( 0.000 -8.984 20.262) 22.164 12.127 ( 0.000 0.468 -9.251) 9.263 13.066 ( 0.000 7.017 -2.352) 7.400 13.540 ( 0.000 -24.630 -4.320) 25.006 13.853 ( 0.000 -16.615 -25.741) 30.638 14.399 ( 0.000 -0.822 -5.720) 5.779 14.571 ( 0.000 -14.041 -11.904) 18.408 15.241 ( 0.000 0.811 3.270) 3.369 15.564 ( 0.000 -8.503 -3.397) 9.156 15.870 ( 0.000 15.207 12.323) 19.574 16.526 ( 0.000 12.553 -6.080) 13.948 17.327 ( 0.000 -4.110 6.819) 7.962 17.799 ( 0.000 -0.322 -6.685) 6.693 19.651 ( 0.000 9.965 1.719) 10.112 19.817 ( 0.000 -10.396 -0.424) 10.404 20.254 ( 0.000 -23.092 2.025) 23.181 20.604 ( 0.000 -4.203 -8.580) 9.554 ======================= Grid point 330 (106/160) ======================= q-point: ( 0.14 0.13 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 3.254 22.431 22.949) 32.255 3.155 ( 7.457 24.056 25.046) 35.519 3.837 ( -6.792 5.533 -7.886) 11.787 4.459 ( -4.846 8.895 19.534) 22.004 4.617 ( 2.740 9.161 -15.880) 18.537 4.938 ( 2.914 27.533 24.871) 37.217 5.116 ( -2.883 21.568 -9.106) 23.588 5.322 ( -0.997 9.229 10.422) 13.956 5.980 ( 3.007 14.834 -5.765) 16.197 7.072 ( 2.391 10.454 -4.780) 11.741 7.553 ( 6.219 6.364 11.212) 14.314 8.865 ( -4.430 1.447 -13.954) 14.711 9.883 ( -3.599 5.527 0.443) 6.610 9.966 ( 3.486 3.912 2.353) 5.744 10.121 ( -10.199 4.382 10.627) 15.367 10.710 ( 12.555 2.544 3.157) 13.194 11.101 ( -2.303 -16.330 16.435) 23.282 11.323 ( -4.093 -3.572 13.314) 14.380 11.342 ( -3.137 -0.403 23.636) 23.847 11.526 ( 2.029 -8.406 22.687) 24.279 12.081 ( -4.647 1.418 -9.071) 10.290 12.921 ( -13.910 8.091 -3.083) 16.384 13.521 ( -0.305 -24.753 -9.328) 26.454 13.932 ( 6.280 -14.062 -23.628) 28.204 14.513 ( 10.282 -1.056 -6.209) 12.058 14.601 ( 3.324 -16.359 -8.563) 18.762 15.229 ( -1.309 0.404 3.052) 3.346 15.537 ( -2.950 -8.521 -2.785) 9.437 15.865 ( 0.129 13.822 13.010) 18.982 16.498 ( -3.110 11.141 -4.296) 12.339 17.359 ( 3.425 -3.467 4.959) 6.952 17.794 ( -0.721 -0.895 -6.799) 6.896 19.671 ( 1.972 9.124 1.977) 9.541 19.835 ( 1.725 -9.982 0.289) 10.134 20.247 ( -0.186 -18.704 0.243) 18.706 20.611 ( 0.174 -5.533 -8.902) 10.483 ======================= Grid point 331 (107/160) ======================= q-point: ( 0.29 0.13 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 10.520 21.402 21.079) 31.828 3.339 ( 10.626 20.788 19.714) 30.557 3.640 ( -12.349 9.222 -2.748) 15.656 4.291 ( -13.204 12.698 13.141) 22.545 4.707 ( 6.439 7.750 -10.800) 14.770 5.006 ( -0.133 21.470 8.979) 23.273 5.037 ( 0.147 19.191 -5.731) 20.029 5.326 ( -0.383 9.370 11.094) 14.527 6.100 ( 10.562 16.698 6.451) 20.784 6.979 ( -11.479 15.845 12.658) 23.304 7.813 ( 19.455 2.640 -6.751) 20.762 8.736 ( -9.383 2.206 -14.726) 17.600 9.794 ( -4.439 6.444 2.495) 8.213 9.926 ( -8.338 2.395 3.092) 9.210 10.130 ( 11.676 -1.364 13.845) 18.162 10.875 ( 4.214 -1.007 9.648) 10.577 11.046 ( -6.337 -10.735 7.274) 14.433 11.173 ( -9.711 -8.377 5.597) 13.993 11.358 ( 5.816 1.338 33.434) 33.962 11.565 ( 1.717 -6.368 23.661) 24.563 11.990 ( -3.350 3.113 -9.870) 10.878 12.609 ( -18.233 8.786 -3.013) 20.462 13.577 ( 6.396 -22.743 -15.126) 28.053 14.000 ( -0.382 -8.969 -26.780) 28.245 14.694 ( 6.620 -11.715 -3.995) 14.037 14.718 ( 10.114 -10.329 -1.063) 14.495 15.198 ( -1.593 -0.696 1.576) 2.347 15.450 ( -6.232 -9.291 -0.923) 11.225 15.907 ( 4.971 11.076 12.268) 17.259 16.404 ( -7.047 8.883 0.030) 11.339 17.452 ( 6.324 -2.599 0.913) 6.898 17.766 ( -2.484 -2.052 -6.652) 7.392 19.719 ( 3.118 6.450 2.707) 7.658 19.861 ( 0.408 -8.460 2.536) 8.842 20.273 ( 3.496 -11.093 -4.441) 12.450 20.589 ( -2.840 -6.476 -9.431) 11.788 ======================= Grid point 332 (108/160) ======================= q-point: ( 0.43 0.13 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 16.682 18.108 14.881) 28.768 3.263 ( -16.842 14.110 7.280) 23.146 3.682 ( 15.310 17.871 13.716) 27.238 3.998 ( -17.225 16.308 11.617) 26.412 4.823 ( 5.597 7.748 -7.463) 12.127 4.920 ( -5.006 10.505 -4.715) 12.555 5.148 ( 7.199 19.411 0.805) 20.718 5.271 ( -5.311 13.393 3.519) 14.831 6.369 ( 17.210 17.626 18.016) 30.519 6.700 ( -17.283 17.260 19.423) 31.207 8.190 ( 19.463 2.280 -13.675) 23.896 8.512 ( -14.698 2.446 -15.240) 21.314 9.748 ( -0.100 2.594 5.050) 5.678 9.796 ( -5.064 0.805 5.669) 7.644 10.417 ( 18.403 1.819 12.921) 22.559 10.778 ( -18.448 6.596 14.425) 24.329 10.942 ( 2.977 -16.518 7.318) 18.310 11.029 ( -6.057 -15.338 7.806) 18.245 11.503 ( 6.720 0.773 25.630) 26.507 11.574 ( -1.226 -2.889 23.861) 24.066 12.025 ( 8.247 5.366 -8.484) 12.992 12.274 ( -16.800 7.670 -3.881) 18.871 13.738 ( 9.954 -17.043 -20.701) 28.602 13.914 ( -7.972 -11.012 -25.656) 29.035 14.812 ( 5.175 -8.626 0.641) 10.079 14.849 ( 2.449 -10.337 2.262) 10.861 15.204 ( 3.393 -5.489 -0.962) 6.524 15.317 ( -7.474 -10.201 -0.450) 12.654 16.049 ( 9.657 9.109 9.228) 16.167 16.240 ( -10.073 8.176 4.927) 13.877 17.580 ( 6.928 -2.576 -2.877) 7.931 17.695 ( -5.091 -2.702 -5.445) 7.929 19.782 ( 3.453 1.822 3.531) 5.264 19.840 ( -2.448 -3.989 3.859) 6.066 20.375 ( 6.875 -7.015 -8.161) 12.771 20.503 ( -6.162 -6.321 -9.411) 12.903 ======================= Grid point 336 (109/160) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 0.000 25.968 14.691) 29.836 3.515 ( 0.000 18.208 23.393) 29.644 4.064 ( 0.000 12.675 -8.920) 15.499 4.636 ( 0.000 4.327 17.771) 18.290 4.703 ( 0.000 3.789 -10.111) 10.798 5.357 ( 0.000 19.517 30.126) 35.895 5.552 ( 0.000 18.792 -16.738) 25.166 5.771 ( 0.000 27.741 5.626) 28.306 6.234 ( 0.000 12.410 -8.010) 14.771 7.196 ( 0.000 13.373 -16.128) 20.951 7.775 ( 0.000 16.473 14.611) 22.019 8.906 ( 0.000 -1.679 -13.855) 13.956 9.779 ( 0.000 -3.586 19.276) 19.606 10.219 ( 0.000 10.988 1.726) 11.123 10.311 ( 0.000 -17.209 6.724) 18.476 10.569 ( 0.000 14.723 4.024) 15.263 10.794 ( 0.000 -16.960 13.304) 21.556 11.192 ( 0.000 -14.278 25.582) 29.296 11.436 ( 0.000 6.619 38.891) 39.450 11.520 ( 0.000 11.413 -8.386) 14.163 12.131 ( 0.000 -0.297 -10.715) 10.719 13.057 ( 0.000 -9.548 3.595) 10.202 13.115 ( 0.000 -17.646 -1.456) 17.706 13.639 ( 0.000 -3.078 -19.508) 19.749 14.364 ( 0.000 -3.110 -11.069) 11.497 14.365 ( 0.000 -8.496 -17.067) 19.065 15.209 ( 0.000 -4.599 -0.446) 4.621 15.361 ( 0.000 -11.816 -3.023) 12.197 16.148 ( 0.000 13.465 12.801) 18.579 16.672 ( 0.000 2.606 -2.335) 3.499 17.223 ( 0.000 -6.633 7.802) 10.241 17.762 ( 0.000 -3.968 -5.871) 7.086 19.562 ( 0.000 -15.222 0.505) 15.230 19.746 ( 0.000 -14.350 -6.018) 15.561 19.916 ( 0.000 3.205 4.840) 5.805 20.541 ( 0.000 -2.287 -10.436) 10.683 ======================= Grid point 337 (110/160) ======================= q-point: ( 0.14 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( 3.969 26.810 15.506) 31.224 3.567 ( 5.444 17.489 22.455) 28.978 4.018 ( -5.280 13.122 -8.241) 16.370 4.594 ( -4.253 4.916 18.805) 19.897 4.730 ( 2.737 3.554 -10.073) 11.027 5.357 ( -1.130 13.956 14.005) 19.804 5.557 ( -0.758 21.536 1.274) 21.587 5.670 ( -6.179 25.225 -3.566) 26.215 6.316 ( 7.639 18.274 -2.674) 19.986 7.323 ( 10.609 14.278 -13.512) 22.338 7.738 ( -2.330 13.412 12.265) 18.324 8.866 ( -4.326 -1.973 -14.455) 15.217 9.820 ( 3.792 -3.517 18.083) 18.808 10.146 ( -11.270 -4.782 6.626) 13.921 10.177 ( -3.653 10.859 2.804) 11.795 10.658 ( -0.902 -8.740 1.805) 8.970 10.789 ( 4.573 -7.980 17.156) 19.466 11.258 ( 5.578 -9.969 23.029) 25.707 11.381 ( -3.679 3.972 34.521) 34.943 11.516 ( -1.507 12.375 0.826) 12.493 12.129 ( -1.083 3.603 -9.359) 10.087 12.899 ( -7.136 -15.633 -1.912) 17.291 13.206 ( -1.959 -2.612 -5.884) 6.729 13.656 ( 6.668 -12.348 -14.521) 20.194 14.333 ( -2.974 -11.763 -13.872) 18.429 14.477 ( 9.351 -3.216 -12.118) 15.641 15.191 ( -1.846 -5.074 -0.588) 5.431 15.336 ( -2.929 -11.409 -2.376) 12.016 16.117 ( -2.385 12.062 14.174) 18.764 16.629 ( -4.322 2.498 -0.792) 5.055 17.260 ( 3.853 -6.681 5.983) 9.761 17.743 ( -1.994 -4.710 -6.050) 7.922 19.598 ( 3.510 -13.693 0.819) 14.160 19.792 ( 3.953 -7.545 -7.548) 11.380 19.936 ( 2.661 -1.747 4.224) 5.289 20.530 ( -1.243 -2.906 -10.407) 10.876 ======================= Grid point 338 (111/160) ======================= q-point: ( 0.29 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 8.933 27.232 15.701) 32.678 3.710 ( 8.897 16.355 20.010) 27.332 3.869 ( -9.557 14.623 -3.214) 17.763 4.463 ( -10.118 5.617 15.608) 19.430 4.810 ( 5.757 3.825 -6.369) 9.399 5.253 ( -9.227 8.034 0.133) 12.235 5.542 ( 1.554 26.377 7.736) 27.533 5.642 ( 0.458 20.590 -10.626) 23.175 6.507 ( 12.956 23.494 7.571) 27.878 7.365 ( -8.694 22.711 8.932) 25.907 7.855 ( 16.139 1.598 -9.532) 18.812 8.740 ( -9.295 -2.435 -15.776) 18.472 9.849 ( -2.289 -1.807 11.658) 12.017 9.967 ( -7.965 3.046 4.807) 9.789 10.184 ( 7.529 6.814 10.111) 14.331 10.586 ( -3.645 -16.952 4.724) 17.971 10.848 ( -0.865 -6.890 14.794) 16.343 11.254 ( -9.767 2.125 30.760) 32.343 11.401 ( 6.249 -3.331 26.316) 27.252 11.505 ( 2.379 10.204 11.274) 15.391 12.094 ( -0.875 7.806 -9.470) 12.303 12.740 ( -13.021 0.368 -7.371) 14.967 13.188 ( 5.946 -12.853 -11.942) 18.525 13.814 ( 3.853 -10.191 -20.930) 23.596 14.300 ( 2.493 -20.943 -0.292) 21.093 14.633 ( 5.880 -6.011 -11.252) 14.047 15.147 ( -2.543 -5.971 -1.317) 6.622 15.244 ( -6.665 -10.696 -0.040) 12.602 16.107 ( 2.287 9.335 13.899) 16.898 16.519 ( -7.237 3.105 2.317) 8.209 17.357 ( 6.186 -7.200 2.587) 9.839 17.687 ( -4.002 -6.426 -5.623) 9.430 19.678 ( 4.731 -9.475 1.045) 10.642 19.839 ( 0.510 3.603 -4.612) 5.874 20.044 ( 8.691 -10.010 -2.673) 13.523 20.485 ( -3.816 -4.245 -10.259) 11.740 ======================= Grid point 339 (112/160) ======================= q-point: ( 0.43 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( 12.755 25.019 12.594) 30.778 3.614 ( -13.304 21.151 6.814) 25.900 3.958 ( 13.578 10.866 14.672) 22.753 4.227 ( -14.357 7.895 13.687) 21.349 4.934 ( 7.277 4.801 -2.580) 9.092 5.081 ( -8.568 6.727 -0.272) 10.896 5.592 ( 2.987 23.656 -5.685) 24.512 5.636 ( -1.386 21.412 -9.047) 23.287 6.792 ( 16.904 24.316 15.403) 33.381 7.111 ( -16.478 23.708 16.484) 33.246 8.202 ( 18.726 -1.517 -16.455) 24.975 8.517 ( -14.587 -2.485 -16.950) 22.500 9.803 ( -0.777 2.241 8.104) 8.444 9.843 ( -4.882 4.684 6.187) 9.168 10.408 ( 12.745 -2.282 5.066) 13.904 10.540 ( -2.276 -15.011 1.201) 15.230 10.819 ( 1.036 -3.625 23.529) 23.829 10.990 ( -15.491 5.469 30.335) 34.497 11.504 ( 4.412 -2.156 24.184) 24.677 11.551 ( 0.148 3.266 24.425) 24.643 12.177 ( 10.498 9.753 -11.955) 18.661 12.445 ( -16.606 8.559 -9.378) 20.904 13.412 ( 15.596 -15.333 -16.817) 27.589 13.700 ( -13.413 -10.720 -22.508) 28.310 14.470 ( 12.501 -21.581 3.513) 25.187 14.651 ( -4.861 -13.233 -4.816) 14.897 15.108 ( -1.151 -7.011 -1.862) 7.345 15.130 ( -4.036 -7.849 -0.530) 8.841 16.206 ( 7.643 6.857 10.218) 14.486 16.366 ( -8.873 4.698 6.053) 11.724 17.479 ( 6.642 -7.866 -0.785) 10.325 17.596 ( -5.669 -7.745 -3.736) 10.300 19.762 ( 3.986 -3.668 0.144) 5.419 19.821 ( -2.209 1.742 -1.666) 3.269 20.223 ( 9.612 -8.092 -7.808) 14.793 20.383 ( -7.183 -5.838 -9.680) 13.394 ======================= Grid point 343 (113/160) ======================= q-point: ( 0.00 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.507 ( 0.000 25.106 8.580) 26.532 3.797 ( 0.000 11.683 16.598) 20.297 4.345 ( 0.000 13.914 -2.967) 14.227 4.735 ( 0.000 7.709 10.651) 13.148 4.764 ( 0.000 3.467 -4.474) 5.660 5.651 ( 0.000 10.594 12.999) 16.769 5.772 ( 0.000 2.730 -22.155) 22.322 6.341 ( 0.000 29.167 18.057) 34.303 6.421 ( 0.000 6.896 -10.474) 12.541 7.480 ( 0.000 13.336 -12.413) 18.218 8.127 ( 0.000 17.867 11.879) 21.456 8.823 ( 0.000 -6.367 -7.484) 9.826 9.811 ( 0.000 7.261 26.867) 27.831 9.949 ( 0.000 -17.535 11.541) 20.992 10.401 ( 0.000 7.453 7.036) 10.250 10.467 ( 0.000 -12.503 4.968) 13.454 10.841 ( 0.000 9.401 9.844) 13.612 10.928 ( 0.000 -10.807 16.802) 19.978 11.616 ( 0.000 10.841 36.410) 37.989 11.836 ( 0.000 19.490 -11.717) 22.741 12.108 ( 0.000 -1.019 -15.111) 15.145 12.786 ( 0.000 -15.794 9.865) 18.622 12.898 ( 0.000 -4.188 5.281) 6.740 13.641 ( 0.000 0.626 -15.157) 15.170 14.201 ( 0.000 -9.473 -13.249) 16.287 14.271 ( 0.000 -6.518 -15.519) 16.832 15.063 ( 0.000 -10.062 -4.487) 11.017 15.140 ( 0.000 -9.697 -9.524) 13.592 16.393 ( 0.000 11.545 10.903) 15.880 16.631 ( 0.000 -6.683 1.595) 6.871 17.069 ( 0.000 -9.140 8.536) 12.506 17.641 ( 0.000 -8.096 -2.730) 8.544 19.253 ( 0.000 -15.737 0.049) 15.737 19.398 ( 0.000 -16.228 -5.308) 17.074 20.088 ( 0.000 9.278 -1.789) 9.449 20.510 ( 0.000 -1.090 -9.724) 9.784 ======================= Grid point 344 (114/160) ======================= q-point: ( 0.14 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( 5.579 26.173 9.318) 28.337 3.839 ( 4.382 11.379 16.192) 20.269 4.314 ( -3.578 15.189 -1.939) 15.725 4.692 ( -4.396 7.051 12.148) 14.718 4.790 ( 2.764 3.330 -5.365) 6.893 5.541 ( -8.355 5.527 2.372) 10.294 5.856 ( 5.418 8.677 -10.719) 14.817 6.156 ( -9.093 21.091 -0.150) 22.969 6.652 ( 14.536 16.338 5.093) 22.454 7.575 ( 9.688 10.523 -12.265) 18.842 8.058 ( -7.286 17.259 12.212) 22.363 8.780 ( -4.666 -6.269 -8.124) 11.273 9.789 ( -1.732 -2.371 19.735) 19.952 10.000 ( 4.777 -3.584 14.175) 15.382 10.324 ( -5.915 -1.615 5.554) 8.273 10.442 ( -2.829 -0.777 8.173) 8.684 10.861 ( 1.982 6.336 11.330) 13.132 11.044 ( 9.794 -9.551 16.253) 21.244 11.514 ( -9.217 10.561 33.173) 36.013 11.820 ( -0.929 15.184 -2.691) 15.449 12.210 ( 8.193 4.306 -15.010) 17.634 12.579 ( -11.012 -12.021 6.012) 17.376 13.140 ( 14.251 -7.368 3.471) 16.414 13.519 ( -9.061 -1.775 -13.387) 16.263 14.108 ( -8.070 -12.092 -13.255) 19.673 14.385 ( 7.924 -6.365 -15.392) 18.445 15.022 ( -3.846 -11.232 -4.918) 12.850 15.131 ( -1.630 -9.426 -7.315) 12.042 16.327 ( -5.379 8.919 13.104) 16.739 16.607 ( -2.597 -4.123 2.179) 5.338 17.101 ( 3.177 -9.607 6.953) 12.278 17.605 ( -3.731 -9.204 -3.205) 10.436 19.330 ( 7.658 -13.163 -0.394) 15.234 19.497 ( 9.877 -15.005 -6.673) 19.164 20.076 ( -1.350 8.478 -1.655) 8.743 20.489 ( -2.347 -1.617 -9.672) 10.083 ======================= Grid point 345 (115/160) ======================= q-point: ( 0.29 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.699 ( 8.706 27.414 10.594) 30.652 3.957 ( 8.237 10.548 14.636) 19.832 4.208 ( -7.493 18.141 1.812) 19.711 4.565 ( -9.202 6.939 10.739) 15.753 4.876 ( 6.407 3.064 -2.883) 7.665 5.373 ( -9.437 4.697 1.072) 10.595 5.938 ( 3.374 13.342 -6.498) 15.219 6.050 ( -2.597 19.062 -11.870) 22.606 6.932 ( 15.492 18.346 9.892) 25.970 7.779 ( 3.329 15.042 -1.347) 15.464 7.898 ( -1.489 5.812 2.266) 6.413 8.648 ( -9.432 -5.908 -9.864) 14.872 9.772 ( 0.526 -4.180 13.033) 13.697 10.056 ( -2.095 5.492 9.068) 10.806 10.257 ( 1.100 -3.767 1.595) 4.236 10.417 ( 1.784 4.711 13.877) 14.763 10.860 ( -2.554 6.354 13.808) 15.413 11.222 ( 4.948 -4.056 19.864) 20.869 11.347 ( -4.627 2.793 35.791) 36.197 11.788 ( -3.561 14.249 10.627) 18.129 12.293 ( 0.266 12.282 -9.210) 15.354 12.518 ( 4.878 -17.609 -8.932) 20.339 13.181 ( -6.915 6.762 -9.674) 13.679 13.587 ( 13.763 -13.959 -8.918) 21.536 13.909 ( -11.206 -18.460 -5.748) 22.347 14.484 ( 0.627 -8.819 -15.695) 18.014 14.939 ( -4.018 -13.293 -1.950) 14.023 15.071 ( -4.409 -8.721 -5.357) 11.145 16.262 ( -0.426 6.142 13.516) 14.853 16.535 ( -4.975 -0.852 3.988) 6.432 17.179 ( 4.960 -10.895 4.210) 12.689 17.512 ( -5.916 -11.312 -2.991) 13.111 19.508 ( 10.566 -7.754 -1.530) 13.194 19.722 ( 12.406 -11.116 -9.779) 19.316 20.040 ( -1.926 5.373 -0.958) 5.787 20.417 ( -5.523 -3.015 -9.467) 11.367 ======================= Grid point 346 (116/160) ======================= q-point: ( 0.43 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.871 ( 9.434 25.647 10.267) 29.192 4.047 ( -9.117 21.661 7.715) 24.735 4.143 ( 11.060 9.830 11.112) 18.505 4.363 ( -11.847 8.216 10.288) 17.711 5.020 ( 8.751 3.921 -0.298) 9.594 5.194 ( -9.588 4.953 1.129) 10.851 5.991 ( 2.390 15.905 -10.025) 18.952 6.024 ( -1.126 16.950 -15.192) 22.790 7.234 ( 16.829 18.984 13.309) 28.649 7.551 ( -16.582 19.274 14.366) 29.203 8.141 ( 16.214 -3.590 -12.645) 20.873 8.428 ( -13.962 -5.323 -11.740) 19.003 9.821 ( 4.754 0.105 9.568) 10.685 9.941 ( -7.560 4.062 7.796) 11.595 10.344 ( 6.720 -1.121 -3.817) 7.809 10.452 ( -2.168 4.579 0.333) 5.077 10.856 ( 6.153 6.652 31.940) 33.200 11.068 ( -13.242 4.417 35.845) 38.467 11.479 ( 10.578 0.273 23.728) 25.980 11.666 ( -8.945 7.806 21.888) 24.900 12.367 ( 8.190 8.441 -12.279) 17.002 12.531 ( -6.357 -1.319 -12.425) 14.019 13.201 ( 11.335 -5.099 -12.870) 17.892 13.504 ( -17.624 -9.586 -17.269) 26.471 14.031 ( 18.606 -22.325 1.703) 29.111 14.354 ( -13.945 -16.002 -7.846) 22.629 14.921 ( 2.135 -10.870 -3.071) 11.495 14.987 ( -4.290 -8.699 -5.319) 11.062 16.312 ( 5.132 4.027 10.370) 12.251 16.426 ( -6.420 1.733 6.856) 9.551 17.281 ( 5.907 -12.176 1.404) 13.606 17.396 ( -6.290 -12.490 -1.218) 14.037 19.701 ( 9.465 -2.589 -3.295) 10.351 19.833 ( -2.996 -1.097 -7.239) 7.911 20.091 ( 9.155 -4.658 -4.901) 11.381 20.279 ( -9.210 -4.867 -8.666) 13.551 ======================= Grid point 350 (117/160) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( 0.000 18.907 3.147) 19.167 4.003 ( 0.000 10.038 9.075) 13.533 4.531 ( 0.000 5.747 4.265) 7.156 4.874 ( 0.000 8.663 1.555) 8.801 4.983 ( 0.000 16.471 -0.159) 16.472 5.685 ( 0.000 -10.221 -24.181) 26.253 5.794 ( 0.000 5.164 8.239) 9.724 6.474 ( 0.000 -2.186 -13.023) 13.205 6.855 ( 0.000 22.560 16.710) 28.074 7.631 ( 0.000 1.195 -5.526) 5.653 8.369 ( 0.000 4.664 17.182) 17.803 8.697 ( 0.000 -5.881 5.691) 8.184 9.731 ( 0.000 -2.498 9.514) 9.837 10.031 ( 0.000 13.564 21.426) 25.359 10.317 ( 0.000 -2.331 4.502) 5.069 10.486 ( 0.000 1.528 11.252) 11.355 10.838 ( 0.000 1.712 6.732) 6.946 10.977 ( 0.000 5.847 10.434) 11.961 11.685 ( 0.000 -5.981 15.138) 16.277 12.234 ( 0.000 18.925 -3.268) 19.205 12.245 ( 0.000 16.466 1.570) 16.541 12.486 ( 0.000 -12.980 8.068) 15.283 12.937 ( 0.000 7.505 9.286) 11.940 13.635 ( 0.000 -0.997 -13.483) 13.520 13.960 ( 0.000 -15.468 -2.291) 15.637 14.111 ( 0.000 -9.878 -18.986) 21.402 14.843 ( 0.000 -11.710 -9.506) 15.082 15.017 ( 0.000 -3.121 -21.324) 21.551 16.425 ( 0.000 -13.551 5.388) 14.583 16.586 ( 0.000 7.331 6.027) 9.490 16.876 ( 0.000 -9.680 9.838) 13.802 17.470 ( 0.000 -8.968 0.294) 8.973 18.979 ( 0.000 -11.847 -0.219) 11.849 19.135 ( 0.000 -11.205 -6.658) 13.034 20.245 ( 0.000 6.690 -3.803) 7.695 20.491 ( 0.000 -0.944 -8.047) 8.102 ======================= Grid point 351 (118/160) ======================= q-point: ( 0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.009 ( 5.528 16.557 6.270) 18.547 4.053 ( 6.119 13.497 6.726) 16.275 4.532 ( -0.394 7.293 6.338) 9.670 4.870 ( -0.426 8.208 2.526) 8.598 4.943 ( -3.653 15.269 -1.982) 15.825 5.581 ( -7.030 -1.506 -8.600) 11.209 5.912 ( 8.310 -1.114 -7.603) 11.318 6.396 ( -6.099 3.016 -10.955) 12.896 6.973 ( 10.508 16.258 13.653) 23.689 7.691 ( 6.348 0.643 -5.576) 8.474 8.294 ( -7.818 4.949 16.630) 19.031 8.666 ( -3.435 -4.756 4.185) 7.206 9.721 ( -0.171 0.425 9.539) 9.550 10.111 ( 7.118 10.762 19.538) 23.414 10.249 ( -4.331 -0.070 4.020) 5.909 10.551 ( 2.411 5.383 11.161) 12.624 10.874 ( 5.942 -1.246 10.208) 11.877 11.012 ( 3.388 4.627 11.810) 13.129 11.697 ( -0.903 1.398 20.733) 20.800 12.046 ( -8.276 12.614 -10.042) 18.123 12.269 ( -3.703 -0.618 14.259) 14.745 12.564 ( 3.245 11.212 -4.338) 12.452 12.999 ( 8.793 -4.067 8.530) 12.908 13.519 ( -10.704 0.481 -12.448) 16.425 13.844 ( -10.035 -15.092 -7.443) 19.593 14.223 ( 7.866 -10.323 -15.462) 20.187 14.807 ( -4.354 -10.461 -10.881) 15.709 14.971 ( -4.520 -6.644 -16.993) 18.797 16.363 ( -4.746 -7.499 8.741) 12.457 16.579 ( -1.186 3.914 5.221) 6.632 16.893 ( 1.750 -11.230 8.171) 13.997 17.408 ( -6.105 -10.453 0.038) 12.106 19.103 ( 12.269 -9.753 -1.015) 15.706 19.252 ( 11.742 -10.266 -7.349) 17.241 20.219 ( -2.778 6.119 -3.750) 7.695 20.461 ( -3.347 -1.395 -8.035) 8.815 ======================= Grid point 352 (119/160) ======================= q-point: ( 0.29 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.114 ( 6.026 11.881 10.407) 16.905 4.226 ( 10.602 19.384 3.799) 22.418 4.499 ( -3.126 12.420 10.098) 16.310 4.800 ( -7.180 16.019 3.605) 17.921 4.940 ( 4.485 4.507 -3.617) 7.315 5.444 ( -7.928 2.798 -2.638) 8.811 6.061 ( 7.213 -0.437 -13.178) 15.030 6.300 ( -3.817 5.655 -12.801) 14.505 7.202 ( 13.766 10.438 12.523) 21.337 7.855 ( 10.289 -1.385 -5.867) 11.925 8.094 ( -12.616 7.076 15.474) 21.182 8.559 ( -8.241 -3.059 0.573) 8.809 9.751 ( 3.704 3.397 9.646) 10.877 10.160 ( -4.770 5.818 15.460) 17.193 10.259 ( 6.609 4.529 -0.382) 8.021 10.563 ( 0.887 7.227 11.472) 13.587 10.986 ( 2.535 5.924 17.086) 18.261 11.167 ( 14.618 0.221 16.262) 21.867 11.553 ( -12.793 16.217 25.678) 32.955 12.012 ( -1.462 7.819 4.639) 9.208 12.193 ( 0.774 -12.790 2.527) 13.060 12.557 ( -2.023 13.141 -9.058) 16.088 13.262 ( 10.591 -17.757 0.173) 20.676 13.309 ( -4.061 4.183 -5.286) 7.870 13.605 ( -14.423 -12.353 -11.532) 22.217 14.311 ( -1.667 -8.637 -18.348) 20.348 14.686 ( -5.755 -12.011 -6.834) 14.969 14.880 ( -4.749 -10.584 -11.213) 16.134 16.312 ( -0.035 -1.694 10.449) 10.585 16.535 ( -3.561 1.969 5.870) 7.143 16.941 ( 3.427 -13.300 5.452) 14.777 17.270 ( -7.878 -12.752 0.450) 14.995 19.381 ( 16.026 -5.259 -2.831) 17.102 19.528 ( 16.409 -8.277 -8.857) 20.401 20.139 ( -5.778 4.276 -3.366) 7.937 20.362 ( -7.252 -2.648 -7.948) 11.080 ======================= Grid point 353 (120/160) ======================= q-point: ( 0.43 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.234 ( 6.667 11.337 11.109) 17.216 4.341 ( -2.535 10.950 9.103) 14.464 4.491 ( 6.340 23.788 5.474) 25.220 4.647 ( -8.727 20.467 2.954) 22.445 5.080 ( 9.786 2.130 -0.817) 10.049 5.274 ( -10.228 3.393 -0.157) 10.777 6.174 ( 4.818 2.332 -15.018) 15.944 6.243 ( -2.878 4.689 -15.275) 16.235 7.483 ( 16.112 7.467 12.427) 21.674 7.789 ( -15.842 5.083 11.873) 20.440 8.112 ( 13.074 0.738 -3.221) 13.485 8.361 ( -12.609 -1.651 -2.697) 13.000 9.860 ( 7.752 5.210 10.392) 13.973 10.023 ( -8.962 6.073 11.901) 16.089 10.404 ( 8.961 4.288 -2.334) 10.204 10.550 ( -4.653 3.662 2.725) 6.519 11.055 ( 7.325 13.310 26.737) 30.752 11.255 ( -11.993 15.891 25.128) 32.059 11.525 ( 16.251 4.501 23.942) 29.284 11.829 ( -14.726 8.413 22.193) 27.932 12.362 ( 11.818 -9.538 -11.786) 19.224 12.515 ( -3.813 1.989 -11.465) 12.245 13.151 ( -1.780 -4.414 -8.262) 9.535 13.274 ( -13.248 -16.216 -4.693) 21.459 13.700 ( 21.216 -7.859 -8.125) 24.040 14.092 ( -19.009 -9.248 -13.303) 24.977 14.691 ( 4.510 -12.590 -6.741) 14.976 14.788 ( -5.222 -11.420 -9.450) 15.716 16.357 ( 4.339 0.578 9.284) 10.264 16.451 ( -5.145 1.309 7.527) 9.211 17.021 ( 5.108 -14.205 3.288) 15.450 17.132 ( -6.758 -14.026 1.673) 15.659 19.663 ( 13.246 -1.179 -4.986) 14.202 19.783 ( 5.899 -3.223 -9.715) 11.814 20.042 ( -0.451 -1.127 -3.025) 3.259 20.190 ( -10.799 -4.302 -7.214) 13.681 ======================= Grid point 357 (121/160) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.193 ( 0.000 9.097 1.849) 9.283 4.217 ( 0.000 9.256 -1.286) 9.345 4.629 ( 0.000 5.639 0.981) 5.723 5.104 ( 0.000 13.409 6.225) 14.784 5.286 ( 0.000 13.023 -1.009) 13.062 5.430 ( 0.000 -14.290 -21.930) 26.175 5.894 ( 0.000 5.861 5.467) 8.015 6.347 ( 0.000 -9.769 -10.935) 14.663 7.181 ( 0.000 10.300 9.403) 13.946 7.546 ( 0.000 -8.403 -1.353) 8.512 8.341 ( 0.000 -3.574 26.429) 26.669 8.593 ( 0.000 -5.363 16.948) 17.776 9.843 ( 0.000 11.211 3.338) 11.697 10.207 ( 0.000 2.776 -3.729) 4.649 10.417 ( 0.000 11.545 21.561) 24.457 10.524 ( 0.000 3.499 10.050) 10.642 10.923 ( 0.000 5.151 2.293) 5.638 11.099 ( 0.000 6.296 4.588) 7.791 11.508 ( 0.000 -8.793 13.118) 15.792 12.122 ( 0.000 -16.784 27.243) 31.998 12.598 ( 0.000 17.094 13.049) 21.506 12.709 ( 0.000 21.638 -15.066) 26.367 13.166 ( 0.000 14.901 7.889) 16.860 13.582 ( 0.000 -11.214 -0.498) 11.225 13.663 ( 0.000 -7.039 -6.492) 9.576 13.890 ( 0.000 -12.689 -21.002) 24.538 14.645 ( 0.000 -7.477 -15.958) 17.623 14.961 ( 0.000 -4.726 -27.640) 28.041 16.173 ( 0.000 -9.983 7.043) 12.217 16.536 ( 0.000 -11.920 -0.131) 11.921 16.844 ( 0.000 6.379 11.256) 12.938 17.302 ( 0.000 -8.257 2.675) 8.679 18.808 ( 0.000 -5.571 -0.408) 5.586 18.949 ( 0.000 -8.084 -5.840) 9.973 20.348 ( 0.000 4.041 -4.643) 6.155 20.471 ( 0.000 -1.192 -6.518) 6.626 ======================= Grid point 358 (122/160) ======================= q-point: ( 0.14 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.224 ( 3.854 9.503 2.974) 10.677 4.326 ( 10.200 10.301 -1.127) 14.540 4.643 ( 1.398 5.350 2.771) 6.185 5.083 ( -2.262 12.138 4.661) 13.197 5.224 ( -4.658 10.510 -2.697) 11.808 5.483 ( 3.315 -6.370 -17.268) 18.702 5.909 ( 1.874 2.342 2.511) 3.911 6.323 ( -2.247 -8.517 -10.885) 14.002 7.233 ( 5.442 9.403 9.796) 14.628 7.608 ( 6.438 -8.053 -1.506) 10.419 8.297 ( -4.722 -1.415 24.307) 24.802 8.573 ( -2.526 -5.538 14.924) 16.118 9.855 ( 1.448 11.377 3.820) 12.088 10.234 ( 2.553 1.707 -4.243) 5.238 10.387 ( -1.216 11.368 19.496) 22.601 10.624 ( 6.082 3.149 14.206) 15.771 10.928 ( 3.351 5.614 2.616) 7.042 11.139 ( 4.074 7.942 8.951) 12.641 11.571 ( 6.634 -9.167 10.342) 15.329 12.104 ( -1.798 -12.353 23.953) 27.010 12.413 ( -12.889 18.816 4.406) 23.229 12.855 ( 7.449 14.687 -4.929) 17.190 13.057 ( -9.864 9.634 7.453) 15.674 13.460 ( -10.902 -11.524 -3.738) 16.298 13.606 ( -5.134 -3.160 -9.314) 11.095 13.995 ( 8.600 -12.590 -15.866) 22.005 14.625 ( -2.755 -7.443 -15.963) 17.827 14.857 ( -10.194 -6.408 -24.734) 27.509 16.187 ( 1.770 -7.372 7.209) 10.462 16.551 ( 1.494 -10.802 -0.102) 10.905 16.789 ( -5.065 3.801 11.696) 13.301 17.215 ( -8.243 -9.170 3.177) 12.734 18.963 ( 15.204 -4.525 -1.418) 15.926 19.086 ( 13.533 -7.062 -6.414) 16.558 20.313 ( -3.794 3.643 -4.647) 7.018 20.433 ( -4.133 -1.490 -6.544) 7.882 ======================= Grid point 359 (123/160) ======================= q-point: ( 0.29 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.323 ( 6.311 10.686 5.197) 13.454 4.532 ( 7.690 12.476 -0.755) 14.675 4.702 ( 7.361 5.515 7.186) 11.673 5.032 ( -2.623 8.707 1.142) 9.165 5.146 ( -3.274 13.740 -2.092) 14.278 5.493 ( -3.231 3.041 -8.968) 10.006 5.976 ( 5.434 -5.945 -5.779) 9.913 6.272 ( -3.178 -7.368 -11.363) 13.910 7.380 ( 10.252 8.184 10.603) 16.867 7.767 ( 9.554 -6.829 -1.211) 11.806 8.172 ( -8.073 2.511 19.092) 20.880 8.484 ( -7.204 -5.481 9.625) 13.213 9.909 ( 4.599 11.472 6.048) 13.760 10.286 ( 1.215 4.430 1.999) 5.010 10.366 ( -0.437 7.181 13.642) 15.423 10.653 ( -1.933 1.822 10.511) 10.842 11.118 ( 13.893 8.016 7.503) 17.707 11.275 ( 12.449 10.549 19.351) 25.312 11.735 ( 8.579 -4.010 11.284) 14.731 12.043 ( -4.811 1.101 9.315) 10.541 12.186 ( -9.514 9.452 8.852) 16.069 12.767 ( -13.585 7.377 -0.917) 15.486 12.968 ( -3.822 -10.261 3.812) 11.595 13.220 ( -13.956 -12.043 -5.978) 19.378 13.552 ( 2.642 6.496 -12.213) 14.084 14.141 ( 4.741 -9.314 -16.596) 19.613 14.494 ( -10.690 -7.201 -14.212) 19.187 14.673 ( -7.183 -10.317 -17.184) 21.291 16.247 ( 4.650 -3.007 7.473) 9.301 16.573 ( -0.857 -2.516 2.031) 3.345 16.702 ( -2.170 -6.989 10.032) 12.417 17.040 ( -9.629 -10.596 4.139) 14.904 19.307 ( 19.863 -2.312 -3.304) 20.268 19.400 ( 18.774 -5.049 -7.381) 20.795 20.203 ( -8.096 2.397 -4.514) 9.574 20.313 ( -8.724 -2.387 -6.599) 11.196 ======================= Grid point 360 (124/160) ======================= q-point: ( 0.43 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.445 ( 6.421 11.345 6.561) 14.594 4.545 ( -3.645 11.115 5.540) 12.943 4.898 ( 8.499 12.130 2.944) 15.100 4.990 ( -2.739 8.878 0.446) 9.302 5.156 ( 6.908 11.266 -2.123) 13.384 5.355 ( -10.856 7.500 -2.369) 13.405 6.094 ( 6.472 -9.391 -11.134) 15.939 6.200 ( -4.697 -8.365 -12.017) 15.377 7.608 ( 13.610 7.016 10.991) 18.849 7.836 ( -7.391 2.025 8.304) 11.300 8.111 ( 6.682 -2.027 6.078) 9.257 8.307 ( -11.206 -4.987 4.465) 13.053 10.030 ( 8.105 11.262 9.547) 16.842 10.193 ( -8.539 10.591 12.463) 18.450 10.450 ( 7.214 0.186 3.736) 8.126 10.580 ( -5.849 -0.336 7.148) 9.243 11.368 ( 14.086 18.187 14.765) 27.334 11.589 ( 9.326 12.772 17.952) 23.924 11.686 ( -2.721 14.998 21.959) 26.731 11.971 ( -13.493 5.288 22.236) 26.542 12.180 ( 15.763 -6.951 -12.156) 21.084 12.506 ( -15.730 -2.801 -5.800) 16.998 12.857 ( -1.883 -21.657 -0.236) 21.740 12.971 ( -11.682 -15.829 -4.776) 20.245 13.730 ( 14.428 7.841 -13.405) 21.198 14.026 ( -15.324 1.861 -17.652) 23.449 14.440 ( 4.975 -13.029 -10.121) 17.232 14.556 ( -6.329 -12.129 -13.387) 19.141 16.355 ( 6.708 0.070 7.822) 10.304 16.485 ( -6.798 2.294 7.483) 10.366 16.747 ( 5.440 -13.312 4.862) 15.181 16.874 ( -7.933 -11.981 4.509) 15.060 19.657 ( 16.377 0.512 -5.144) 17.174 19.732 ( 13.832 -1.811 -8.272) 16.218 20.024 ( -8.969 -0.918 -3.802) 9.785 20.110 ( -12.487 -3.964 -6.251) 14.516 ======================= Grid point 364 (125/160) ======================= q-point: ( 0.00 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.323 ( 0.000 3.506 -2.391) 4.243 4.328 ( 0.000 2.675 -2.919) 3.959 4.794 ( 0.000 11.904 -6.135) 13.392 5.072 ( 0.000 -15.192 -12.275) 19.532 5.405 ( 0.000 8.447 1.793) 8.635 5.454 ( 0.000 3.693 0.349) 3.709 6.017 ( 0.000 6.285 2.950) 6.943 6.154 ( 0.000 -8.710 -3.781) 9.496 7.280 ( 0.000 2.465 2.457) 3.480 7.373 ( 0.000 -7.727 -0.041) 7.728 8.348 ( 0.000 4.567 28.461) 28.825 8.473 ( 0.000 -6.983 24.077) 25.069 10.065 ( 0.000 9.926 -0.735) 9.953 10.198 ( 0.000 -3.546 -4.410) 5.659 10.604 ( 0.000 5.407 15.725) 16.629 10.609 ( 0.000 3.789 9.789) 10.497 11.014 ( 0.000 4.579 -1.041) 4.696 11.119 ( 0.000 -5.193 -6.432) 8.267 11.506 ( 0.000 10.189 28.159) 29.946 11.789 ( 0.000 -16.823 28.146) 32.790 12.897 ( 0.000 14.316 16.324) 21.712 13.067 ( 0.000 8.459 4.058) 9.382 13.307 ( 0.000 -6.284 -6.494) 9.037 13.398 ( 0.000 2.904 0.588) 2.963 13.639 ( 0.000 -0.607 -7.585) 7.610 13.655 ( 0.000 -7.750 -18.199) 19.781 14.604 ( 0.000 4.377 -22.505) 22.927 14.790 ( 0.000 -11.934 -26.162) 28.755 16.111 ( 0.000 3.907 3.355) 5.150 16.283 ( 0.000 -12.328 0.210) 12.329 16.991 ( 0.000 7.923 7.601) 10.980 17.145 ( 0.000 -7.952 5.024) 9.406 18.761 ( 0.000 0.571 -1.550) 1.652 18.819 ( 0.000 -5.088 -3.698) 6.290 20.408 ( 0.000 2.314 -5.042) 5.548 20.444 ( 0.000 -1.539 -5.543) 5.752 ======================= Grid point 365 (126/160) ======================= q-point: ( 0.14 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.378 ( 6.181 5.820 -1.129) 8.565 4.433 ( 9.919 0.743 -2.108) 10.167 4.801 ( 0.582 11.749 -5.169) 12.849 5.063 ( -0.952 -12.983 -9.763) 16.272 5.405 ( 0.076 9.305 1.248) 9.388 5.478 ( 2.720 1.686 -2.485) 4.052 5.996 ( -2.445 5.803 2.492) 6.772 6.137 ( -1.897 -9.104 -4.049) 10.142 7.343 ( 6.526 3.489 3.347) 8.122 7.442 ( 7.250 -7.475 0.460) 10.423 8.325 ( -2.675 4.694 25.879) 26.437 8.448 ( -2.816 -6.989 21.802) 23.067 10.078 ( 1.583 10.060 -0.020) 10.183 10.216 ( 2.041 -3.875 -3.185) 5.415 10.578 ( -1.035 7.597 13.834) 15.816 10.661 ( 1.860 -0.632 13.220) 13.365 11.059 ( 6.505 7.552 -1.156) 10.034 11.202 ( 8.851 -4.995 -5.301) 11.462 11.536 ( 3.415 9.326 26.619) 28.411 11.811 ( 2.640 -16.161 26.645) 31.274 12.753 ( -12.626 15.971 9.170) 22.329 13.014 ( -8.820 -6.150 11.683) 15.878 13.211 ( -9.543 5.835 -4.566) 12.082 13.297 ( -10.170 0.328 -4.840) 11.268 13.633 ( 1.430 3.731 -9.299) 10.121 13.763 ( 8.892 -10.092 -14.750) 19.962 14.562 ( -4.532 1.972 -21.849) 22.401 14.693 ( -9.514 -9.612 -25.165) 28.569 16.147 ( 3.778 3.725 3.853) 6.557 16.309 ( 2.768 -11.755 0.922) 12.111 16.908 ( -7.880 6.983 8.412) 13.476 17.051 ( -8.874 -7.804 5.937) 13.225 18.926 ( 16.073 0.512 -2.530) 16.278 18.975 ( 15.250 -4.291 -4.444) 16.454 20.367 ( -4.411 2.127 -5.087) 7.061 20.403 ( -4.530 -1.606 -5.593) 7.375 ======================= Grid point 366 (127/160) ======================= q-point: ( 0.29 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.524 ( 8.640 9.484 1.072) 12.875 4.664 ( 13.432 -3.501 -0.412) 13.887 4.807 ( -0.202 11.825 -2.574) 12.103 5.035 ( -2.090 -8.731 -5.366) 10.459 5.416 ( 1.684 12.887 -0.061) 12.997 5.557 ( 5.361 0.021 -6.369) 8.326 5.922 ( -5.204 2.621 1.313) 5.973 6.077 ( -4.654 -10.957 -4.832) 12.848 7.516 ( 11.759 5.900 5.357) 14.205 7.631 ( 12.475 -6.459 1.779) 14.160 8.235 ( -7.223 4.697 19.378) 21.207 8.355 ( -7.441 -7.100 15.734) 18.797 10.133 ( 4.567 10.316 2.985) 11.670 10.279 ( 4.848 -4.293 0.634) 6.506 10.531 ( -4.700 7.913 13.884) 16.657 10.640 ( -3.860 -3.104 11.807) 12.804 11.298 ( 18.640 10.054 1.263) 21.216 11.456 ( 18.079 -0.770 1.492) 18.157 11.645 ( 8.678 5.693 21.491) 23.866 11.897 ( 6.534 -13.669 23.032) 27.568 12.479 ( -15.869 16.231 4.648) 23.170 12.760 ( -16.655 -11.321 7.832) 21.608 12.908 ( -21.819 5.375 1.489) 22.520 13.029 ( -19.018 -6.651 -7.904) 21.643 13.731 ( 8.644 10.763 -11.834) 18.183 13.944 ( 9.984 -10.739 -13.381) 19.851 14.421 ( -11.191 -0.001 -19.870) 22.804 14.496 ( -9.488 -7.246 -20.889) 24.060 16.246 ( 6.660 3.608 5.061) 9.110 16.387 ( 5.611 -10.345 2.643) 12.062 16.737 ( -9.699 5.267 9.043) 14.268 16.863 ( -10.447 -7.685 6.938) 14.709 19.291 ( 21.349 0.580 -4.056) 21.739 19.325 ( 20.717 -2.828 -5.530) 21.628 20.239 ( -9.436 1.580 -5.157) 10.869 20.271 ( -9.605 -1.863 -5.732) 11.339 ======================= Grid point 367 (128/160) ======================= q-point: ( 0.43 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.676 ( 7.084 11.871 1.914) 13.955 4.776 ( -3.482 12.108 0.586) 12.612 4.880 ( 8.596 -7.944 -0.395) 11.712 4.985 ( -3.487 -7.620 -2.480) 8.740 5.492 ( 6.629 18.243 -0.948) 19.433 5.611 ( -2.730 14.489 -3.484) 15.150 5.860 ( 1.656 -12.650 -3.283) 13.174 5.965 ( -6.999 -14.523 -5.626) 17.075 7.763 ( 13.804 8.201 7.914) 17.901 7.872 ( 10.651 -0.803 5.007) 11.796 8.065 ( -8.719 0.375 11.694) 14.592 8.171 ( -11.756 -8.038 8.950) 16.820 10.249 ( 7.576 10.205 7.598) 14.808 10.380 ( 0.725 2.944 7.987) 8.543 10.420 ( -1.587 1.341 9.210) 9.442 10.536 ( -6.874 -4.461 9.512) 12.555 11.707 ( 22.698 13.883 5.780) 27.228 11.796 ( 15.059 11.749 21.724) 28.926 11.878 ( 12.978 -2.411 14.451) 19.572 12.006 ( 0.840 -2.810 22.373) 22.564 12.217 ( -7.696 12.654 -7.562) 16.630 12.426 ( -18.908 -5.539 1.778) 19.782 12.510 ( -13.685 -9.397 -2.643) 16.810 12.630 ( -20.287 -17.259 -7.672) 27.718 13.926 ( 11.530 11.316 -13.592) 21.112 14.099 ( 1.203 0.696 -16.527) 16.585 14.216 ( -4.390 -5.756 -13.821) 15.602 14.332 ( -8.761 -10.451 -16.229) 21.198 16.389 ( 8.385 3.879 6.549) 11.325 16.510 ( 6.163 -6.786 4.227) 10.094 16.562 ( -7.735 1.979 8.748) 11.844 16.677 ( -9.299 -8.180 6.551) 14.011 19.679 ( 19.232 1.493 -5.037) 19.937 19.706 ( 19.012 -1.213 -6.125) 20.011 20.014 ( -14.384 0.251 -5.044) 15.245 20.043 ( -14.696 -2.665 -5.815) 16.028 ======================= Grid point 420 (129/160) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 0.000 0.000 35.980) 35.980 3.077 ( 0.000 0.000 33.240) 33.240 3.522 ( 0.000 0.000 -37.284) 37.284 3.717 ( 0.000 0.000 -28.686) 28.686 4.168 ( 0.000 0.000 11.116) 11.116 4.403 ( 0.000 0.000 -11.511) 11.511 4.920 ( 0.000 0.000 29.076) 29.076 5.392 ( 0.000 0.000 -17.630) 17.630 6.011 ( 0.000 0.000 36.078) 36.078 6.639 ( 0.000 0.000 -23.480) 23.480 7.874 ( 0.000 0.000 28.169) 28.169 8.459 ( 0.000 0.000 -26.839) 26.839 9.528 ( 0.000 0.000 6.064) 6.064 9.684 ( 0.000 0.000 -9.036) 9.036 10.478 ( 0.000 0.000 17.138) 17.138 10.638 ( 0.000 0.000 1.647) 1.647 11.601 ( 0.000 0.000 1.433) 1.433 11.637 ( 0.000 0.000 -2.110) 2.110 11.794 ( 0.000 0.000 3.364) 3.364 11.900 ( 0.000 0.000 -5.406) 5.406 12.315 ( 0.000 0.000 37.990) 37.990 12.876 ( 0.000 0.000 -1.179) 1.179 13.566 ( 0.000 0.000 -18.008) 18.008 13.758 ( 0.000 0.000 -21.780) 21.780 14.824 ( 0.000 0.000 15.267) 15.267 15.126 ( 0.000 0.000 -13.870) 13.870 15.415 ( 0.000 0.000 8.705) 8.705 15.482 ( 0.000 0.000 8.907) 8.907 15.587 ( 0.000 0.000 -7.879) 7.879 15.662 ( 0.000 0.000 -8.013) 8.013 17.531 ( 0.000 0.000 6.717) 6.717 17.669 ( 0.000 0.000 -6.384) 6.384 19.624 ( 0.000 0.000 11.355) 11.355 19.854 ( 0.000 0.000 -10.023) 10.023 20.712 ( 0.000 0.000 1.112) 1.112 20.757 ( 0.000 0.000 -2.814) 2.814 ======================= Grid point 421 (130/160) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -0.521 0.000 33.178) 33.182 3.120 ( 4.462 0.000 30.823) 31.145 3.449 ( -7.388 0.000 -33.975) 34.769 3.697 ( -2.185 0.000 -23.492) 23.594 4.179 ( 1.154 0.000 7.662) 7.748 4.393 ( -1.130 0.000 -11.441) 11.497 4.965 ( 4.338 0.000 26.668) 27.019 5.392 ( -0.624 0.000 -15.377) 15.390 6.092 ( 8.642 0.000 35.606) 36.640 6.708 ( 6.650 0.000 -21.766) 22.759 7.850 ( -2.040 0.000 26.199) 26.279 8.418 ( -4.318 0.000 -26.402) 26.753 9.551 ( 2.310 0.000 5.487) 5.954 9.693 ( 0.891 0.000 -8.327) 8.375 10.496 ( 2.180 0.000 18.606) 18.733 10.690 ( 5.139 0.000 1.167) 5.270 11.574 ( -2.636 0.000 1.147) 2.875 11.605 ( -3.188 0.000 -1.849) 3.685 11.745 ( -5.009 0.000 0.287) 5.017 11.813 ( -9.320 0.000 -6.369) 11.288 12.319 ( 1.233 0.000 39.278) 39.297 12.882 ( 0.291 0.000 4.792) 4.800 13.469 ( -8.016 0.000 -19.165) 20.774 13.749 ( -2.179 0.000 -26.738) 26.826 14.860 ( 3.776 0.000 14.733) 15.209 15.151 ( 2.593 0.000 -13.221) 13.473 15.394 ( -2.211 0.000 8.694) 8.971 15.556 ( 7.718 0.000 10.757) 13.240 15.569 ( -1.942 0.000 -8.066) 8.297 15.757 ( 8.714 0.000 -8.378) 12.088 17.524 ( -0.633 0.000 6.541) 6.572 17.666 ( -0.480 0.000 -6.850) 6.866 19.663 ( 4.098 0.000 11.147) 11.876 19.884 ( 3.238 0.000 -9.457) 9.996 20.659 ( -5.179 0.000 2.852) 5.912 20.734 ( -2.893 0.000 -4.358) 5.231 ======================= Grid point 422 (131/160) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 3.020 0.000 24.294) 24.481 3.234 ( 7.364 0.000 24.183) 25.279 3.270 ( -11.062 0.000 -23.548) 26.016 3.633 ( -4.675 0.000 -11.157) 12.097 4.211 ( 2.276 0.000 0.239) 2.289 4.362 ( -2.131 0.000 -11.028) 11.232 5.061 ( 5.462 0.000 18.854) 19.629 5.352 ( -3.666 0.000 -9.285) 9.983 6.319 ( 14.833 0.000 33.402) 36.547 6.831 ( 4.443 0.000 -10.610) 11.503 7.833 ( 1.410 0.000 15.373) 15.438 8.301 ( -8.157 0.000 -24.349) 25.679 9.608 ( 3.542 0.000 3.708) 5.128 9.710 ( 0.691 0.000 -6.207) 6.245 10.568 ( 5.758 0.000 20.887) 21.666 10.804 ( 6.008 0.000 2.693) 6.584 11.514 ( -3.368 0.000 0.500) 3.404 11.533 ( -4.049 0.000 -1.321) 4.259 11.581 ( -13.670 0.000 -7.142) 15.423 11.617 ( -8.311 0.000 -7.505) 11.198 12.383 ( 5.767 0.000 39.696) 40.113 12.853 ( -4.489 0.000 23.292) 23.721 13.352 ( -2.630 0.000 -30.886) 30.998 13.664 ( -6.508 0.000 -32.487) 33.133 14.956 ( 6.201 0.000 13.367) 14.735 15.211 ( 3.075 0.000 -9.501) 9.986 15.340 ( -2.962 0.000 6.700) 7.326 15.516 ( -3.637 0.000 -8.592) 9.330 15.744 ( 11.306 0.000 11.341) 16.014 15.926 ( 7.955 0.000 -6.037) 9.986 17.517 ( 0.148 0.000 4.725) 4.728 17.644 ( -1.965 0.000 -7.067) 7.335 19.772 ( 7.412 0.000 10.431) 12.796 19.967 ( 4.997 0.000 -7.464) 8.982 20.538 ( -7.027 0.000 4.287) 8.232 20.646 ( -6.293 0.000 -5.986) 8.686 ======================= Grid point 423 (132/160) ======================= q-point: ( 0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 8.023 0.000 9.699) 12.587 3.058 ( -11.061 0.000 -7.692) 13.472 3.381 ( 8.081 0.000 14.487) 16.588 3.524 ( -6.930 0.000 2.481) 7.361 4.261 ( 2.907 0.000 -6.120) 6.776 4.315 ( -2.808 0.000 -9.616) 10.018 5.163 ( 5.487 0.000 8.452) 10.077 5.265 ( -5.306 0.000 -1.240) 5.449 6.603 ( 14.393 0.000 26.995) 30.593 6.812 ( -6.815 0.000 11.667) 13.512 7.931 ( 8.789 0.000 -5.184) 10.204 8.122 ( -10.571 0.000 -18.678) 21.462 9.672 ( 2.951 0.000 0.743) 3.043 9.709 ( -0.969 0.000 -2.911) 3.068 10.712 ( 9.171 0.000 20.572) 22.523 10.850 ( -3.008 0.000 13.439) 13.771 11.397 ( -3.322 0.000 -14.394) 14.773 11.459 ( -7.659 0.000 -14.642) 16.524 11.466 ( -1.353 0.000 -0.192) 1.366 11.472 ( -2.017 0.000 -0.800) 2.170 12.527 ( 9.276 0.000 39.031) 40.118 12.711 ( -9.729 0.000 35.916) 37.211 13.389 ( 5.644 0.000 -37.590) 38.011 13.524 ( -8.010 0.000 -36.089) 36.968 15.080 ( 6.774 0.000 11.495) 13.342 15.196 ( -4.931 0.000 7.574) 9.038 15.349 ( 4.060 0.000 -7.973) 8.947 15.437 ( -4.740 0.000 -9.236) 10.381 15.934 ( 7.960 0.000 7.653) 11.042 16.010 ( 0.308 0.000 0.527) 0.610 17.538 ( 2.248 0.000 0.024) 2.248 17.593 ( -3.214 0.000 -4.939) 5.893 19.924 ( 8.054 0.000 7.921) 11.296 20.022 ( -0.880 0.000 -0.344) 0.945 20.447 ( -0.859 0.000 0.095) 0.864 20.517 ( -6.726 0.000 -5.689) 8.810 ======================= Grid point 427 (133/160) ======================= q-point: ( 0.00 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 0.000 6.531 32.579) 33.227 3.253 ( 0.000 16.631 31.025) 35.201 3.491 ( 0.000 -0.770 -30.503) 30.513 3.859 ( 0.000 13.450 -27.433) 30.553 4.407 ( 0.000 20.209 5.653) 20.985 4.574 ( 0.000 15.904 -9.330) 18.439 5.008 ( 0.000 10.267 27.668) 29.511 5.462 ( 0.000 7.790 -17.216) 18.896 5.969 ( 0.000 -3.615 36.286) 36.465 6.615 ( 0.000 -2.105 -24.916) 25.005 7.902 ( 0.000 2.859 27.601) 27.749 8.471 ( 0.000 1.219 -25.970) 25.999 9.652 ( 0.000 11.670 3.475) 12.176 9.761 ( 0.000 7.266 -7.119) 10.173 10.481 ( 0.000 0.644 16.283) 16.296 10.635 ( 0.000 -0.510 1.119) 1.230 11.492 ( 0.000 -9.152 0.803) 9.188 11.515 ( 0.000 -9.574 -1.999) 9.781 11.862 ( 0.000 4.982 4.857) 6.958 11.952 ( 0.000 2.454 -1.076) 2.680 12.312 ( 0.000 -0.286 38.931) 38.932 12.909 ( 0.000 3.601 -2.829) 4.579 13.471 ( 0.000 -9.737 -20.372) 22.579 13.646 ( 0.000 -11.808 -20.723) 23.851 14.600 ( 0.000 -15.856 10.124) 18.813 14.800 ( 0.000 -22.740 -8.964) 24.443 15.365 ( 0.000 -0.815 8.273) 8.313 15.537 ( 0.000 -2.231 -8.146) 8.446 15.777 ( 0.000 19.364 11.176) 22.357 16.000 ( 0.000 21.347 -10.019) 23.581 17.520 ( 0.000 -1.264 6.988) 7.102 17.664 ( 0.000 -0.567 -6.817) 6.840 19.651 ( 0.000 2.676 9.516) 9.885 19.844 ( 0.000 -1.241 -8.235) 8.328 20.628 ( 0.000 -8.156 -1.076) 8.227 20.631 ( 0.000 -12.427 -0.928) 12.461 ======================= Grid point 428 (134/160) ======================= q-point: ( 0.14 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 0.238 7.310 30.440) 31.306 3.294 ( 4.253 16.433 28.953) 33.562 3.434 ( -5.744 0.712 -27.401) 28.006 3.866 ( -0.065 14.880 -26.130) 30.070 4.378 ( -2.230 17.718 6.197) 18.902 4.553 ( -2.042 15.011 -9.639) 17.956 5.039 ( 2.776 8.490 24.733) 26.296 5.437 ( -2.745 5.002 -13.764) 14.900 6.078 ( 11.083 -0.616 34.639) 36.374 6.702 ( 8.492 -0.173 -23.179) 24.686 7.872 ( -2.707 2.302 25.866) 26.109 8.428 ( -4.572 1.029 -25.728) 26.151 9.661 ( 0.950 10.224 3.351) 10.801 9.763 ( 0.273 6.641 -6.656) 9.406 10.496 ( 2.035 -0.005 18.665) 18.776 10.705 ( 6.818 1.422 -0.480) 6.981 11.459 ( -3.663 -9.959 0.699) 10.634 11.478 ( -3.560 -9.637 -1.732) 10.419 11.814 ( -4.947 5.288 1.936) 7.496 11.881 ( -8.020 4.122 -3.064) 9.524 12.305 ( 0.370 -1.492 40.548) 40.577 12.898 ( -1.404 1.687 4.800) 5.279 13.377 ( -7.424 -9.522 -22.057) 25.146 13.642 ( -1.730 -10.769 -25.690) 27.910 14.681 ( 7.779 -13.386 9.684) 18.261 14.872 ( 7.057 -20.503 -8.204) 23.184 15.355 ( -1.206 -1.296 7.996) 8.190 15.523 ( -1.629 -2.604 -7.831) 8.412 15.810 ( 3.635 17.719 11.618) 21.498 16.033 ( 3.312 19.072 -9.558) 21.589 17.516 ( -0.312 -0.966 6.583) 6.661 17.660 ( -0.504 -0.645 -7.127) 7.174 19.685 ( 3.595 2.221 9.388) 10.296 19.872 ( 2.969 -1.461 -7.800) 8.472 20.564 ( -4.801 -9.699 2.441) 11.094 20.634 ( -1.593 -9.282 -4.404) 10.396 ======================= Grid point 429 (135/160) ======================= q-point: ( 0.29 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 3.475 8.551 23.199) 24.968 3.292 ( -8.642 4.050 -16.923) 19.429 3.407 ( 7.207 15.932 21.119) 27.418 3.827 ( -4.366 17.226 -16.062) 23.954 4.361 ( 0.786 13.975 1.803) 14.112 4.508 ( -2.641 13.884 -9.976) 17.299 5.094 ( 3.062 4.024 17.223) 17.950 5.360 ( -5.247 1.372 -7.949) 9.623 6.349 ( 16.833 3.610 32.215) 36.526 6.866 ( 6.633 3.871 -12.118) 14.346 7.837 ( 0.285 0.555 15.599) 15.612 8.304 ( -8.542 0.514 -24.282) 25.746 9.687 ( 1.805 7.085 2.804) 7.831 9.768 ( -0.002 5.306 -5.037) 7.316 10.574 ( 6.624 0.320 21.855) 22.839 10.857 ( 8.356 4.880 -0.746) 9.706 11.349 ( -7.875 -12.245 0.597) 14.571 11.400 ( -4.713 -9.930 -2.114) 11.193 11.677 ( -11.566 5.390 -4.764) 13.621 11.692 ( -7.550 6.007 -4.360) 10.587 12.356 ( 5.198 -3.000 40.513) 40.955 12.833 ( -6.268 -2.007 24.457) 25.327 13.281 ( -1.399 -7.419 -33.444) 34.286 13.572 ( -5.484 -8.840 -31.443) 33.119 14.851 ( 9.599 -8.931 9.282) 16.064 15.029 ( 8.714 -15.233 -6.825) 18.829 15.313 ( -3.267 -1.796 7.080) 8.002 15.473 ( -3.843 -3.480 -7.564) 9.170 15.912 ( 6.882 13.282 11.278) 18.735 16.101 ( 3.118 13.746 -6.531) 15.535 17.516 ( 0.581 -0.249 4.403) 4.448 17.640 ( -1.748 -0.536 -7.099) 7.331 19.781 ( 6.376 0.801 8.942) 11.012 19.946 ( 4.398 -2.230 -6.104) 7.847 20.461 ( -5.630 -7.587 3.890) 10.217 20.571 ( -5.024 -7.243 -6.427) 10.908 ======================= Grid point 430 (136/160) ======================= q-point: ( 0.43 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 7.468 8.628 10.755) 15.680 3.119 ( -9.382 6.931 -4.249) 12.414 3.557 ( 8.457 16.277 12.222) 22.041 3.711 ( -7.641 17.085 -0.680) 18.728 4.400 ( 2.891 13.236 -5.232) 14.524 4.455 ( -2.935 13.470 -8.888) 16.403 5.160 ( 4.236 0.375 7.672) 8.772 5.255 ( -5.670 -0.368 -1.138) 5.795 6.661 ( 15.294 6.055 26.476) 31.170 6.874 ( -6.302 6.531 11.189) 14.407 7.922 ( 8.679 -0.763 -5.863) 10.502 8.117 ( -11.003 -0.256 -19.390) 22.296 9.725 ( 2.065 4.593 1.141) 5.164 9.757 ( -1.215 4.174 -1.937) 4.759 10.748 ( 11.591 2.846 21.272) 24.391 10.936 ( -3.996 8.819 13.536) 16.642 11.221 ( -1.382 -15.029 -7.451) 16.831 11.298 ( -6.094 -10.962 -5.493) 13.692 11.533 ( -2.727 4.804 -6.952) 8.879 11.564 ( -5.215 5.573 -9.259) 11.999 12.491 ( 8.934 -3.696 39.075) 40.254 12.673 ( -9.940 -3.773 35.505) 37.062 13.327 ( 5.445 -6.243 -37.413) 38.319 13.450 ( -7.072 -7.051 -35.310) 36.695 15.021 ( 8.254 -5.837 8.907) 13.473 15.130 ( -1.136 -7.575 3.216) 8.308 15.280 ( 2.770 -4.867 -2.438) 6.108 15.381 ( -5.816 -4.963 -7.469) 10.688 16.043 ( 6.329 9.446 7.410) 13.572 16.121 ( -1.523 9.520 0.204) 9.643 17.543 ( 2.327 0.252 -0.266) 2.356 17.595 ( -2.895 -0.026 -4.958) 5.741 19.910 ( 6.769 -1.455 7.017) 9.858 19.993 ( -0.869 -3.037 0.198) 3.165 20.395 ( -0.022 -5.022 -0.490) 5.046 20.462 ( -5.864 -5.290 -5.987) 9.910 ======================= Grid point 434 (137/160) ======================= q-point: ( 0.00 0.13 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 0.000 13.711 25.380) 28.847 3.535 ( 0.000 6.222 -20.292) 21.224 3.649 ( 0.000 21.273 23.413) 31.634 4.166 ( 0.000 16.011 -23.449) 28.393 4.766 ( 0.000 14.078 8.023) 16.204 4.927 ( 0.000 18.241 -8.450) 20.103 5.384 ( 0.000 27.524 17.715) 32.732 5.717 ( 0.000 17.793 -14.100) 22.703 5.915 ( 0.000 -0.170 36.511) 36.511 6.591 ( 0.000 1.250 -27.739) 27.767 7.986 ( 0.000 5.905 25.226) 25.908 8.505 ( 0.000 2.150 -23.764) 23.861 9.925 ( 0.000 15.002 -0.809) 15.024 9.925 ( 0.000 8.564 -0.491) 8.578 10.518 ( 0.000 3.488 10.663) 11.219 10.601 ( 0.000 -3.682 1.681) 4.047 11.286 ( 0.000 -11.216 4.548) 12.103 11.349 ( 0.000 -5.751 -2.272) 6.184 11.920 ( 0.000 -6.922 8.906) 11.279 11.942 ( 0.000 2.278 2.399) 3.308 12.306 ( 0.000 -0.306 41.323) 41.324 13.017 ( 0.000 6.894 -3.771) 7.857 13.216 ( 0.000 -14.342 -28.958) 32.315 13.329 ( 0.000 -18.151 -14.793) 23.416 14.347 ( 0.000 -10.131 0.725) 10.157 14.407 ( 0.000 -16.994 -4.900) 17.686 15.339 ( 0.000 -2.793 5.842) 6.476 15.464 ( 0.000 -5.884 -5.892) 8.327 16.131 ( 0.000 16.270 12.500) 20.517 16.364 ( 0.000 15.385 -9.777) 18.229 17.478 ( 0.000 -3.141 7.755) 8.367 17.642 ( 0.000 -1.787 -8.077) 8.272 19.711 ( 0.000 2.349 3.720) 4.400 19.783 ( 0.000 -5.968 -2.828) 6.604 20.319 ( 0.000 -17.694 4.405) 18.234 20.438 ( 0.000 -9.641 -7.166) 12.013 ======================= Grid point 435 (138/160) ======================= q-point: ( 0.14 0.13 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 1.884 14.688 24.107) 28.292 3.515 ( -2.322 7.689 -20.803) 22.300 3.677 ( 3.198 20.890 25.119) 32.827 4.188 ( 1.697 16.148 -23.699) 28.727 4.722 ( -3.937 14.870 8.685) 17.665 4.895 ( -2.958 18.222 -8.756) 20.432 5.334 ( -4.599 21.202 15.825) 26.853 5.590 ( -8.530 9.992 -5.003) 14.058 6.130 ( 17.395 8.201 27.908) 33.892 6.732 ( 13.349 4.462 -25.574) 29.191 7.944 ( -4.108 5.288 24.287) 25.194 8.459 ( -4.869 2.074 -23.934) 24.512 9.887 ( -2.805 10.923 0.739) 11.302 9.922 ( -1.183 9.761 -2.608) 10.173 10.491 ( 0.182 -1.101 17.198) 17.234 10.717 ( 8.547 -1.726 -4.416) 9.774 11.255 ( -2.874 -9.875 4.936) 11.407 11.312 ( -3.519 -4.588 -1.363) 5.941 11.909 ( -2.505 -2.169 5.229) 6.190 11.921 ( -2.459 4.620 1.740) 5.516 12.262 ( -3.386 -2.518 42.491) 42.700 12.949 ( -6.709 3.061 6.357) 9.736 13.106 ( -6.414 -17.020 -27.595) 33.050 13.390 ( 2.338 -12.299 -25.208) 28.146 14.450 ( 9.817 -10.154 0.332) 14.127 14.495 ( 8.937 -17.510 -3.338) 19.941 15.322 ( -1.890 -3.055 5.647) 6.693 15.444 ( -2.263 -6.094 -5.731) 8.666 16.138 ( 0.916 15.189 12.756) 19.856 16.365 ( 0.010 14.181 -8.893) 16.739 17.480 ( 0.335 -2.880 6.838) 7.427 17.635 ( -0.737 -2.055 -8.006) 8.298 19.734 ( 2.439 1.879 3.869) 4.944 19.808 ( 2.583 -5.904 -2.794) 7.024 20.301 ( -1.641 -15.549 4.799) 16.355 20.434 ( -0.691 -9.686 -7.847) 12.485 ======================= Grid point 436 (139/160) ======================= q-point: ( 0.29 0.13 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 4.651 16.374 19.412) 25.818 3.446 ( -4.930 11.691 -13.227) 18.328 3.770 ( 6.584 19.115 20.289) 28.642 4.187 ( -2.883 17.078 -18.335) 25.222 4.667 ( -0.594 15.291 6.457) 16.609 4.836 ( -3.083 18.124 -9.352) 20.626 5.248 ( -3.753 12.245 11.864) 17.458 5.436 ( -8.006 7.080 -4.423) 11.566 6.491 ( 20.236 11.780 27.711) 36.279 6.997 ( 12.053 9.923 -15.981) 22.341 7.865 ( -2.843 2.651 16.673) 17.120 8.325 ( -9.302 1.642 -23.627) 25.445 9.836 ( -2.219 7.483 2.051) 8.071 9.887 ( -2.387 6.554 -2.886) 7.549 10.552 ( 6.381 -3.804 20.228) 21.549 10.853 ( 4.726 -10.961 -8.515) 14.663 11.204 ( -2.258 -4.300 5.389) 7.254 11.241 ( -3.397 3.802 2.439) 5.652 11.777 ( -10.146 5.321 -0.262) 11.459 11.845 ( -6.155 8.747 -1.683) 10.828 12.256 ( 3.715 -7.423 41.642) 42.461 12.780 ( -10.648 -3.604 22.824) 25.442 13.064 ( 2.047 -13.964 -33.898) 36.719 13.381 ( -3.142 -8.883 -31.490) 32.869 14.660 ( 11.595 -10.851 1.498) 15.951 14.707 ( 12.376 -16.975 -1.966) 21.099 15.266 ( -3.974 -3.568 4.828) 7.199 15.376 ( -5.035 -6.736 -5.227) 9.902 16.172 ( 2.842 12.492 11.919) 17.498 16.357 ( -1.184 11.453 -5.490) 12.756 17.496 ( 1.430 -2.205 3.866) 4.674 17.614 ( -1.514 -2.352 -7.242) 7.764 19.796 ( 3.894 0.241 4.287) 5.796 19.869 ( 3.371 -6.090 -2.056) 7.258 20.269 ( -1.403 -11.084 3.866) 11.823 20.402 ( -2.824 -8.702 -8.330) 12.373 ======================= Grid point 437 (140/160) ======================= q-point: ( 0.43 0.13 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( 6.709 16.787 10.575) 20.944 3.336 ( -6.639 15.126 -1.237) 16.565 3.914 ( 8.575 17.839 10.232) 22.281 4.076 ( -8.163 17.546 -3.345) 19.639 4.705 ( 3.726 16.064 -1.635) 16.572 4.777 ( -3.518 17.631 -7.127) 19.339 5.221 ( 1.386 7.285 4.867) 8.870 5.298 ( -6.298 6.281 -1.830) 9.081 6.849 ( 16.982 13.447 24.216) 32.490 7.073 ( -5.180 14.028 9.174) 17.543 7.910 ( 8.369 -0.324 -6.621) 10.677 8.120 ( -12.184 0.570 -20.363) 23.736 9.816 ( 0.172 4.487 2.074) 4.946 9.841 ( -2.240 4.131 -0.166) 4.703 10.714 ( 10.015 -9.712 12.203) 18.535 10.862 ( -4.124 -19.799 -2.830) 20.421 11.168 ( -0.908 1.885 7.958) 8.229 11.191 ( -2.716 16.028 11.166) 19.722 11.644 ( -1.428 6.520 -7.613) 10.125 11.713 ( -6.882 9.714 -9.052) 14.955 12.382 ( 9.108 -7.444 37.764) 39.554 12.574 ( -11.014 -6.066 31.944) 34.330 13.154 ( 6.741 -10.941 -34.631) 36.939 13.286 ( -6.631 -8.832 -34.094) 35.838 14.854 ( 8.267 -11.634 3.269) 14.642 14.896 ( 5.596 -15.587 0.329) 16.564 15.198 ( -1.516 -4.303 1.275) 4.737 15.262 ( -6.546 -7.067 -3.997) 10.429 16.241 ( 4.251 9.932 7.674) 13.252 16.315 ( -3.302 9.452 0.801) 10.044 17.533 ( 2.406 -1.812 -0.667) 3.085 17.578 ( -2.303 -2.107 -4.847) 5.765 19.868 ( 3.487 -2.785 4.137) 6.085 19.906 ( -0.037 -5.704 1.315) 5.853 20.270 ( 1.946 -7.268 -1.317) 7.638 20.334 ( -4.160 -7.141 -6.590) 10.570 ======================= Grid point 441 (141/160) ======================= q-point: ( 0.00 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( 0.000 18.483 17.881) 25.717 3.703 ( 0.000 10.606 -14.595) 18.041 4.049 ( 0.000 19.266 18.576) 26.763 4.433 ( 0.000 11.374 -16.378) 19.940 4.956 ( 0.000 5.632 13.526) 14.652 5.230 ( 0.000 11.653 -14.116) 18.305 5.796 ( 0.000 8.917 13.097) 15.844 6.038 ( 0.000 11.965 -10.810) 16.125 6.164 ( 0.000 29.030 29.303) 41.248 6.752 ( 0.000 16.879 -26.067) 31.054 8.139 ( 0.000 10.115 19.829) 22.259 8.553 ( 0.000 2.909 -19.454) 19.670 10.067 ( 0.000 5.806 8.577) 10.357 10.181 ( 0.000 8.770 -3.515) 9.448 10.488 ( 0.000 -5.702 7.827) 9.683 10.594 ( 0.000 2.337 -2.081) 3.130 11.104 ( 0.000 -5.546 15.246) 16.224 11.337 ( 0.000 3.936 -7.690) 8.639 11.677 ( 0.000 -16.254 16.619) 23.246 11.912 ( 0.000 -5.761 -7.888) 9.767 12.304 ( 0.000 0.536 39.241) 39.245 12.947 ( 0.000 -9.183 -16.554) 18.931 13.069 ( 0.000 -6.367 -1.422) 6.524 13.206 ( 0.000 8.853 -19.068) 21.022 14.124 ( 0.000 -12.631 -4.147) 13.295 14.168 ( 0.000 -9.134 -6.925) 11.463 15.230 ( 0.000 -8.785 2.325) 9.087 15.293 ( 0.000 -11.857 -3.477) 12.357 16.402 ( 0.000 11.659 11.216) 16.178 16.587 ( 0.000 7.409 -6.400) 9.791 17.394 ( 0.000 -5.514 8.933) 10.498 17.589 ( 0.000 -3.839 -9.687) 10.420 19.581 ( 0.000 -14.512 1.569) 14.597 19.637 ( 0.000 -12.686 -4.074) 13.324 20.083 ( 0.000 -2.931 10.337) 10.744 20.312 ( 0.000 -2.872 -11.479) 11.832 ======================= Grid point 442 (142/160) ======================= q-point: ( 0.14 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( 3.662 19.455 17.095) 26.156 3.716 ( 1.093 12.196 -14.214) 18.761 4.060 ( 1.208 18.229 19.525) 26.739 4.447 ( 0.980 10.594 -16.618) 19.732 4.930 ( -2.282 6.550 13.747) 15.397 5.204 ( -2.546 12.076 -13.531) 18.314 5.705 ( -8.452 12.241 8.431) 17.099 5.820 ( -12.073 15.052 1.205) 19.333 6.441 ( 18.857 22.507 18.638) 34.778 6.921 ( 15.701 15.257 -23.640) 32.220 8.087 ( -5.431 9.645 19.866) 22.742 8.505 ( -5.118 2.722 -19.764) 20.596 10.043 ( -2.705 6.168 5.609) 8.765 10.123 ( -5.558 7.205 -2.730) 9.500 10.434 ( -2.610 -3.244 12.619) 13.288 10.615 ( -0.536 -7.169 -5.218) 8.883 11.127 ( 2.308 -1.910 14.816) 15.116 11.360 ( 3.398 7.665 -7.259) 11.090 11.747 ( 6.903 -13.012 17.589) 22.942 11.967 ( 4.071 -1.451 -6.159) 7.524 12.238 ( -6.468 0.405 37.818) 38.369 12.770 ( -11.685 -12.045 -12.024) 20.645 13.044 ( -7.587 3.808 -5.050) 9.878 13.245 ( 3.945 -1.858 -22.995) 23.405 14.181 ( 6.138 -15.051 -0.535) 16.263 14.264 ( 8.863 -9.771 -7.780) 15.315 15.210 ( -2.117 -8.861 2.307) 9.398 15.273 ( -2.246 -11.483 -3.434) 12.194 16.391 ( -0.952 10.816 11.664) 15.935 16.571 ( -1.630 6.879 -5.518) 8.968 17.398 ( 0.504 -5.673 7.574) 9.477 17.574 ( -1.503 -4.446 -9.218) 10.344 19.618 ( 3.730 -13.270 1.453) 13.861 19.672 ( 3.427 -10.734 -4.063) 11.979 20.085 ( 0.285 -3.381 9.631) 10.211 20.305 ( -0.871 -3.272 -11.201) 11.701 ======================= Grid point 443 (143/160) ======================= q-point: ( 0.29 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.471 ( 6.123 21.272 14.254) 26.328 3.728 ( -0.326 16.512 -10.167) 19.394 4.099 ( 3.253 14.606 18.076) 23.467 4.435 ( -3.221 8.787 -13.382) 16.329 4.906 ( 0.773 8.833 11.757) 14.726 5.148 ( -3.261 12.386 -10.892) 16.813 5.538 ( -7.681 15.766 4.465) 18.097 5.639 ( -7.824 13.280 -2.530) 15.620 6.811 ( 20.232 20.136 20.591) 35.196 7.247 ( 16.907 14.990 -18.773) 29.376 7.953 ( -7.828 6.874 17.437) 20.312 8.362 ( -10.099 2.096 -20.202) 22.683 9.970 ( -4.498 6.047 3.231) 8.199 10.012 ( -5.602 5.563 -0.584) 7.916 10.423 ( 1.125 -7.139 9.937) 12.287 10.569 ( -3.504 -13.753 -4.474) 14.880 11.183 ( 4.221 3.699 17.319) 18.206 11.474 ( 7.617 13.456 -6.924) 16.941 11.878 ( -0.358 3.515 13.669) 14.119 11.955 ( -0.970 -1.041 7.315) 7.452 12.135 ( -2.965 0.500 29.155) 29.309 12.601 ( -6.431 -15.581 -7.686) 18.526 12.899 ( -4.634 0.080 -7.737) 9.019 13.258 ( -3.229 -3.900 -29.834) 30.260 14.344 ( 10.553 -19.152 3.538) 22.151 14.445 ( 9.382 -12.760 -6.750) 17.216 15.152 ( -3.938 -8.690 1.697) 9.690 15.205 ( -5.070 -10.815 -2.917) 12.296 16.381 ( 0.287 8.903 11.263) 14.360 16.528 ( -2.878 6.057 -2.691) 7.225 17.418 ( 1.683 -5.944 4.006) 7.363 17.539 ( -2.053 -5.583 -7.501) 9.573 19.703 ( 4.806 -10.313 1.406) 11.465 19.749 ( 4.202 -6.537 -3.363) 8.467 20.096 ( 1.086 -4.714 6.588) 8.173 20.274 ( -2.558 -4.176 -9.954) 11.094 ======================= Grid point 444 (144/160) ======================= q-point: ( 0.43 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.591 ( 6.280 22.073 8.599) 24.508 3.690 ( -3.840 20.668 -0.434) 21.026 4.189 ( 6.387 10.290 9.031) 15.108 4.326 ( -7.556 8.320 -2.816) 11.587 4.969 ( 5.263 10.565 5.103) 12.859 5.072 ( -5.125 11.685 -2.940) 13.094 5.461 ( -0.188 16.098 -1.886) 16.209 5.515 ( -5.244 14.805 -5.128) 16.522 7.174 ( 17.804 19.171 19.878) 32.858 7.411 ( -3.816 20.019 5.524) 21.114 7.907 ( 6.922 -0.131 -5.374) 8.764 8.135 ( -13.730 0.854 -19.008) 23.463 9.909 ( -1.326 5.444 3.037) 6.373 9.927 ( -3.064 5.342 1.608) 6.365 10.458 ( 2.336 -12.792 1.806) 13.128 10.507 ( -2.924 -15.036 -2.727) 15.559 11.313 ( 10.006 10.034 22.159) 26.303 11.518 ( -8.004 15.799 15.750) 23.701 11.780 ( 3.137 7.018 -5.657) 9.545 11.923 ( -8.117 11.205 -5.907) 15.045 12.218 ( 11.437 -8.513 30.730) 33.877 12.443 ( -11.244 -7.648 17.589) 22.233 12.951 ( 8.750 -8.194 -25.350) 28.041 13.135 ( -9.263 -6.265 -30.669) 32.644 14.530 ( 7.743 -20.946 2.332) 22.453 14.575 ( 3.285 -17.736 -2.516) 18.212 15.084 ( -2.329 -8.010 -0.100) 8.343 15.104 ( -4.477 -9.326 -1.698) 10.483 16.409 ( 2.568 7.098 7.717) 10.795 16.468 ( -3.435 6.047 2.171) 7.285 17.457 ( 2.300 -6.221 -0.390) 6.644 17.499 ( -2.213 -6.239 -4.435) 7.968 19.780 ( 2.997 -6.576 1.328) 7.348 19.802 ( 0.919 -4.396 -0.615) 4.533 20.136 ( 3.319 -5.850 -0.219) 6.730 20.210 ( -4.094 -5.244 -6.684) 9.430 ======================= Grid point 448 (145/160) ======================= q-point: ( 0.00 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( 0.000 18.518 10.900) 21.488 3.915 ( 0.000 10.422 -6.426) 12.244 4.407 ( 0.000 17.797 11.377) 21.122 4.636 ( 0.000 10.575 -8.672) 13.676 4.995 ( 0.000 -0.605 14.002) 14.015 5.335 ( 0.000 -1.028 -19.404) 19.432 5.923 ( 0.000 5.172 13.214) 14.191 6.186 ( 0.000 4.514 -12.244) 13.049 6.751 ( 0.000 27.620 20.674) 34.500 7.158 ( 0.000 20.748 -18.293) 27.661 8.381 ( 0.000 14.288 12.527) 19.002 8.629 ( 0.000 5.199 -11.109) 12.265 10.121 ( 0.000 -11.064 4.885) 12.095 10.134 ( 0.000 0.127 5.006) 5.007 10.552 ( 0.000 9.414 6.103) 11.219 10.585 ( 0.000 -0.417 3.768) 3.791 11.090 ( 0.000 1.363 14.181) 14.247 11.229 ( 0.000 -16.723 7.973) 18.526 11.615 ( 0.000 12.963 -5.669) 14.148 11.777 ( 0.000 -5.357 -15.350) 16.258 12.362 ( 0.000 6.493 32.527) 33.169 12.832 ( 0.000 -3.024 -9.893) 10.344 13.072 ( 0.000 4.939 12.003) 12.980 13.348 ( 0.000 4.220 -13.075) 13.740 13.916 ( 0.000 -8.141 -8.744) 11.947 13.975 ( 0.000 -10.746 -11.619) 15.826 14.997 ( 0.000 -14.829 -1.526) 14.907 15.011 ( 0.000 -16.612 -3.151) 16.908 16.580 ( 0.000 6.368 6.484) 9.088 16.649 ( 0.000 -1.093 -0.581) 1.238 17.264 ( 0.000 -7.775 10.543) 13.099 17.490 ( 0.000 -6.220 -10.520) 12.222 19.269 ( 0.000 -16.118 1.599) 16.197 19.318 ( 0.000 -16.732 -3.026) 17.003 20.131 ( 0.000 4.951 5.901) 7.703 20.303 ( 0.000 1.040 -9.903) 9.957 ======================= Grid point 449 (146/160) ======================= q-point: ( 0.14 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.766 ( 5.531 19.541 10.310) 22.776 3.954 ( 3.907 11.455 -5.902) 13.465 4.403 ( -0.640 17.633 11.967) 21.320 4.635 ( -0.582 10.030 -8.893) 13.418 4.983 ( -0.648 -0.355 14.553) 14.572 5.321 ( -1.409 -0.072 -17.745) 17.801 5.880 ( -3.980 6.902 9.085) 12.083 6.071 ( -9.490 9.236 -8.059) 15.502 6.904 ( 13.777 22.617 16.943) 31.439 7.266 ( 10.811 17.556 -17.103) 26.788 8.320 ( -6.552 13.718 12.905) 19.941 8.575 ( -5.756 4.794 -11.505) 13.728 10.051 ( -4.572 -7.689 7.750) 11.836 10.139 ( -1.142 -1.371 -0.381) 1.825 10.473 ( -6.592 4.265 7.839) 11.095 10.567 ( -2.774 6.214 0.484) 6.823 11.158 ( 6.373 2.601 17.214) 18.539 11.352 ( 11.467 -13.356 7.414) 19.101 11.652 ( 5.122 8.575 -1.663) 10.126 11.867 ( 8.530 -5.891 -15.264) 18.451 12.304 ( -6.003 7.544 30.492) 31.980 12.677 ( -13.063 1.152 -1.497) 13.199 13.112 ( -1.243 3.931 -2.427) 4.784 13.271 ( -4.627 1.810 -12.211) 13.183 13.904 ( 0.407 -13.166 -1.465) 13.253 14.065 ( 6.820 -10.324 -14.050) 18.722 14.968 ( -2.315 -15.757 -0.121) 15.927 15.012 ( -0.891 -14.948 -4.136) 15.535 16.553 ( -2.514 5.296 7.805) 9.762 16.633 ( -1.593 -0.228 -0.464) 1.674 17.260 ( -0.153 -8.317 8.829) 12.131 17.459 ( -2.954 -7.165 -9.689) 12.407 19.339 ( 6.995 -14.117 1.453) 15.822 19.393 ( 7.510 -14.881 -3.739) 17.083 20.119 ( -1.340 4.179 5.732) 7.219 20.285 ( -1.939 0.448 -9.639) 9.842 ======================= Grid point 450 (147/160) ======================= q-point: ( 0.29 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.899 ( 8.077 21.692 8.707) 24.730 4.046 ( 5.445 14.869 -4.736) 16.528 4.374 ( -2.381 15.191 12.723) 19.957 4.585 ( -5.303 8.293 -6.703) 11.909 5.005 ( 3.627 1.537 12.944) 13.530 5.287 ( -2.275 2.162 -11.593) 12.010 5.801 ( -3.771 10.492 0.800) 11.178 5.906 ( -7.363 12.372 -6.562) 15.822 7.200 ( 17.215 17.804 15.305) 29.113 7.525 ( 15.998 12.168 -15.502) 25.384 8.141 ( -12.329 11.952 13.731) 21.986 8.415 ( -11.208 3.830 -12.580) 17.279 9.988 ( -1.502 -3.439 8.335) 9.141 10.114 ( -1.026 3.440 -3.277) 4.861 10.339 ( -6.837 0.141 7.554) 10.190 10.485 ( -5.891 6.413 -4.711) 9.901 11.301 ( 8.947 6.917 23.475) 26.057 11.593 ( 13.117 -4.749 6.942) 15.581 11.809 ( 9.512 -1.315 4.586) 10.641 12.020 ( 3.256 0.599 1.550) 3.655 12.196 ( -0.318 4.542 13.173) 13.938 12.410 ( -14.608 1.968 -1.041) 14.776 12.974 ( -9.405 5.845 -5.044) 12.168 13.215 ( -4.882 -1.071 -22.699) 23.243 13.955 ( 5.393 -20.462 7.708) 22.521 14.176 ( 4.129 -14.515 -13.388) 20.174 14.917 ( -2.966 -15.002 0.536) 15.302 14.968 ( -3.661 -13.569 -4.148) 14.653 16.511 ( -1.364 3.995 9.008) 9.948 16.595 ( -2.381 1.183 0.540) 2.713 17.266 ( 0.893 -9.471 4.890) 10.697 17.396 ( -3.503 -8.967 -7.175) 12.006 19.501 ( 9.487 -9.620 1.188) 13.563 19.566 ( 9.896 -10.342 -5.285) 15.259 20.082 ( -2.385 1.685 4.948) 5.745 20.227 ( -4.328 -1.194 -8.602) 9.703 ======================= Grid point 451 (148/160) ======================= q-point: ( 0.43 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.044 ( 6.867 23.643 6.244) 25.400 4.118 ( 0.353 22.626 -0.585) 22.636 4.349 ( 1.720 7.525 8.359) 11.378 4.453 ( -7.726 6.472 -1.059) 10.135 5.109 ( 6.629 3.810 7.547) 10.743 5.223 ( -4.946 3.985 -1.031) 6.435 5.763 ( 0.070 13.074 -6.382) 14.549 5.802 ( -3.880 13.161 -7.989) 15.877 7.531 ( 17.804 15.332 15.098) 27.929 7.805 ( 2.772 18.436 -1.749) 18.725 7.904 ( -1.948 0.510 1.780) 2.688 8.164 ( -15.346 2.933 -13.745) 20.809 10.004 ( 3.054 3.714 7.780) 9.146 10.079 ( -3.724 10.278 3.113) 11.367 10.273 ( 1.245 -5.567 -0.871) 5.771 10.361 ( -6.684 1.208 -6.471) 9.381 11.498 ( 12.090 8.214 26.953) 30.661 11.720 ( -8.148 3.020 25.498) 26.938 11.888 ( 9.417 3.558 0.576) 10.083 12.124 ( -13.176 7.136 7.197) 16.623 12.134 ( 11.119 3.703 4.610) 12.594 12.280 ( -1.299 -7.486 -3.261) 8.268 12.887 ( 2.908 1.598 -13.363) 13.769 13.053 ( -11.288 -2.046 -23.855) 26.470 14.089 ( 7.705 -23.745 3.793) 25.251 14.194 ( -2.578 -20.697 -6.680) 21.900 14.875 ( -0.914 -13.089 -0.905) 13.152 14.897 ( -3.096 -12.317 -3.005) 13.051 16.511 ( 1.289 3.297 7.091) 7.926 16.549 ( -2.442 2.429 3.397) 4.838 17.293 ( 1.917 -10.370 0.534) 10.559 17.336 ( -2.760 -10.242 -3.563) 11.190 19.663 ( 6.836 -5.069 0.013) 8.510 19.707 ( 3.301 -4.964 -4.324) 7.365 20.055 ( 0.846 -2.632 1.138) 2.990 20.129 ( -5.719 -3.353 -5.701) 8.743 ======================= Grid point 455 (149/160) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.024 ( 0.000 12.914 4.269) 13.601 4.091 ( 0.000 7.560 -0.866) 7.610 4.698 ( 0.000 8.714 12.208) 14.999 4.880 ( 0.000 14.840 -2.475) 15.045 5.019 ( 0.000 6.997 3.569) 7.855 5.227 ( 0.000 -8.662 -18.479) 20.408 5.986 ( 0.000 1.480 10.362) 10.467 6.216 ( 0.000 -1.527 -11.937) 12.035 7.180 ( 0.000 15.795 14.737) 21.603 7.452 ( 0.000 8.163 -11.345) 13.976 8.645 ( 0.000 11.054 9.287) 14.438 8.750 ( 0.000 6.497 -0.992) 6.573 9.929 ( 0.000 -6.310 8.969) 10.967 10.083 ( 0.000 -3.293 -5.724) 6.604 10.652 ( 0.000 6.258 14.131) 15.455 10.703 ( 0.000 3.770 7.368) 8.276 10.978 ( 0.000 -5.783 6.931) 9.027 11.077 ( 0.000 -2.144 -0.651) 2.241 11.754 ( 0.000 2.390 0.272) 2.405 11.936 ( 0.000 17.870 -15.854) 23.889 12.579 ( 0.000 15.574 22.866) 27.666 12.804 ( 0.000 -0.502 8.589) 8.603 13.202 ( 0.000 7.436 12.950) 14.933 13.346 ( 0.000 -2.981 -10.443) 10.860 13.757 ( 0.000 -11.317 -11.927) 16.442 13.822 ( 0.000 -2.744 -11.583) 11.904 14.675 ( 0.000 -17.536 -5.604) 18.410 14.681 ( 0.000 -16.141 -8.305) 18.152 16.545 ( 0.000 -9.277 5.558) 10.815 16.627 ( 0.000 -2.567 -1.701) 3.080 17.119 ( 0.000 -5.776 12.913) 14.146 17.363 ( 0.000 -6.303 -9.692) 11.562 18.993 ( 0.000 -11.691 1.580) 11.797 19.041 ( 0.000 -11.520 -3.043) 11.915 20.227 ( 0.000 4.441 2.311) 5.006 20.330 ( 0.000 1.382 -7.083) 7.217 ======================= Grid point 456 (150/160) ======================= q-point: ( 0.14 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( 7.288 13.701 3.655) 15.943 4.145 ( 5.517 8.313 0.174) 9.978 4.723 ( 1.907 11.903 11.885) 16.929 4.873 ( -0.913 14.253 -2.011) 14.423 4.984 ( -3.141 4.489 5.163) 7.528 5.235 ( 0.947 -7.482 -18.689) 20.153 5.968 ( -1.686 2.300 8.043) 8.533 6.167 ( -4.687 0.774 -10.764) 11.765 7.261 ( 8.087 13.278 13.627) 20.674 7.517 ( 6.703 6.986 -10.874) 14.560 8.569 ( -8.001 10.212 9.687) 16.190 8.690 ( -6.371 6.357 -2.193) 9.263 9.918 ( -0.098 -3.374 9.234) 9.832 10.087 ( 0.781 -1.874 -6.909) 7.201 10.604 ( -3.964 8.016 14.608) 17.128 10.732 ( -0.957 7.863 2.751) 8.385 11.086 ( 11.783 -8.726 9.396) 17.415 11.176 ( 11.145 -2.943 3.121) 11.942 11.777 ( 2.377 2.379 -1.471) 3.671 11.928 ( -0.605 12.851 -10.270) 16.461 12.544 ( -3.902 16.170 19.844) 25.894 12.742 ( -6.995 4.372 8.610) 11.924 13.198 ( 0.335 3.434 5.173) 6.218 13.254 ( -8.485 -2.056 -8.799) 12.395 13.673 ( -6.243 -11.043 -3.055) 13.048 13.891 ( 3.627 -7.043 -17.375) 19.096 14.636 ( -2.278 -17.359 -3.111) 17.782 14.701 ( 0.049 -16.513 -8.585) 18.611 16.526 ( -1.557 -7.536 6.753) 10.238 16.620 ( -0.670 -2.093 -1.719) 2.790 17.097 ( -1.883 -7.209 11.254) 13.497 17.313 ( -4.791 -7.299 -8.554) 12.222 19.101 ( 10.699 -9.976 0.975) 14.661 19.146 ( 10.502 -10.215 -3.388) 15.037 20.201 ( -2.782 3.843 2.223) 5.239 20.301 ( -3.104 0.859 -6.921) 7.634 ======================= Grid point 457 (151/160) ======================= q-point: ( 0.29 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.259 ( 8.765 12.642 3.695) 15.821 4.287 ( 9.519 11.926 1.128) 15.300 4.713 ( -4.004 18.621 9.054) 21.089 4.813 ( -6.370 15.599 -1.799) 16.945 4.986 ( 5.248 -2.724 8.547) 10.393 5.260 ( 1.116 -4.032 -14.648) 15.234 5.938 ( -1.126 3.757 1.978) 4.392 6.070 ( -5.082 4.122 -9.432) 11.480 7.459 ( 12.666 8.859 12.056) 19.602 7.688 ( 11.152 4.238 -9.927) 15.520 8.362 ( -13.486 9.263 10.298) 19.332 8.516 ( -11.906 5.780 -4.759) 14.065 9.956 ( 4.470 1.657 9.813) 10.910 10.137 ( 5.103 2.039 -7.406) 9.222 10.479 ( -9.213 10.530 12.482) 18.750 10.657 ( -6.824 8.730 -3.414) 11.594 11.347 ( 14.830 -4.132 16.620) 22.655 11.492 ( 20.562 -1.594 10.194) 23.006 11.823 ( 1.243 1.809 -2.823) 3.576 11.947 ( 4.444 0.382 -3.403) 5.611 12.439 ( -6.987 14.782 13.499) 21.202 12.551 ( -12.445 9.646 8.742) 18.010 13.074 ( -9.393 2.216 -7.801) 12.409 13.196 ( -3.649 -0.296 -14.662) 15.112 13.572 ( -1.835 -17.926 11.698) 21.483 13.912 ( -1.887 -11.543 -19.422) 22.672 14.599 ( -1.464 -17.062 -0.480) 17.131 14.677 ( -2.416 -15.980 -7.620) 17.868 16.509 ( 0.190 -3.901 7.932) 8.841 16.604 ( -1.071 -0.468 -0.504) 1.273 17.066 ( -1.043 -10.271 7.103) 12.532 17.211 ( -5.561 -9.392 -5.824) 12.371 19.347 ( 14.345 -6.104 0.016) 15.590 19.392 ( 14.569 -7.151 -4.382) 16.810 20.122 ( -5.588 1.944 1.950) 6.230 20.211 ( -6.489 -0.677 -6.310) 9.077 ======================= Grid point 458 (152/160) ======================= q-point: ( 0.43 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.417 ( 8.215 11.140 5.887) 15.041 4.466 ( 8.016 10.645 1.545) 13.415 4.600 ( -6.122 20.864 5.440) 22.414 4.667 ( -8.492 17.866 -0.883) 19.801 5.127 ( 8.147 -1.306 5.180) 9.742 5.243 ( -3.562 -1.100 -4.076) 5.524 5.939 ( 1.401 4.888 -5.247) 7.307 5.988 ( -3.639 5.389 -8.739) 10.893 7.720 ( 14.652 4.972 10.323) 18.600 7.888 ( 5.377 -0.312 -4.417) 6.966 8.120 ( -7.252 11.307 6.307) 14.839 8.265 ( -14.037 6.230 -6.320) 16.607 10.085 ( 9.043 5.908 10.838) 15.302 10.258 ( -1.389 4.183 3.844) 5.848 10.306 ( 0.292 11.543 -0.015) 11.546 10.488 ( -10.715 8.975 -7.488) 15.856 11.597 ( 10.956 1.187 23.426) 25.889 11.738 ( -2.684 3.648 20.185) 20.686 11.922 ( 16.594 0.438 2.685) 16.816 12.103 ( 8.607 -4.443 -12.907) 16.138 12.264 ( -10.967 8.508 16.611) 21.647 12.341 ( -9.134 7.941 1.429) 12.188 12.950 ( -2.106 1.975 -9.016) 9.467 13.036 ( -10.049 -1.301 -15.581) 18.586 13.652 ( 8.455 -18.826 3.607) 20.950 13.817 ( -7.862 -16.216 -11.773) 21.526 14.591 ( 0.813 -15.690 -2.115) 15.852 14.626 ( -2.631 -15.198 -5.400) 16.342 16.534 ( 2.188 -0.694 6.560) 6.950 16.576 ( -1.980 0.633 2.968) 3.624 17.068 ( 1.409 -12.218 2.022) 12.464 17.119 ( -3.967 -11.497 -2.380) 12.393 19.592 ( 10.334 -2.073 -1.215) 10.610 19.628 ( 8.090 -2.762 -4.808) 9.808 20.016 ( -3.758 -1.816 0.635) 4.222 20.069 ( -7.750 -2.993 -4.396) 9.399 ======================= Grid point 462 (153/160) ======================= q-point: ( 0.00 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.209 ( 0.000 6.478 0.270) 6.483 4.215 ( 0.000 5.297 0.117) 5.299 4.734 ( 0.000 -1.186 9.631) 9.703 5.017 ( 0.000 -9.393 -17.366) 19.743 5.214 ( 0.000 15.218 3.973) 15.728 5.268 ( 0.000 13.942 -1.367) 14.009 6.009 ( 0.000 1.904 5.946) 6.243 6.151 ( 0.000 -4.014 -8.073) 9.015 7.350 ( 0.000 2.037 7.219) 7.501 7.477 ( 0.000 -4.370 -4.973) 6.620 8.776 ( 0.000 3.188 13.445) 13.818 8.846 ( 0.000 2.822 6.015) 6.644 9.918 ( 0.000 4.363 4.770) 6.464 10.059 ( 0.000 0.710 -8.315) 8.345 10.704 ( 0.000 -0.538 7.306) 7.326 10.759 ( 0.000 3.410 6.444) 7.290 10.998 ( 0.000 4.088 3.849) 5.615 11.052 ( 0.000 0.156 -3.418) 3.422 11.845 ( 0.000 6.906 17.480) 18.794 12.224 ( 0.000 8.751 -17.875) 19.902 12.807 ( 0.000 2.229 24.850) 24.950 12.917 ( 0.000 17.254 16.649) 23.977 13.323 ( 0.000 2.306 -10.272) 10.528 13.331 ( 0.000 3.010 -16.175) 16.453 13.577 ( 0.000 -4.066 6.351) 7.541 13.732 ( 0.000 -7.329 2.778) 7.838 14.344 ( 0.000 -15.670 -10.875) 19.074 14.419 ( 0.000 -10.724 -20.863) 23.458 16.331 ( 0.000 -10.958 7.884) 13.499 16.475 ( 0.000 -11.502 -5.503) 12.750 17.073 ( 0.000 0.622 10.580) 10.598 17.256 ( 0.000 -4.687 -6.440) 7.965 18.822 ( 0.000 -6.016 1.565) 6.216 18.865 ( 0.000 -6.737 -2.724) 7.267 20.297 ( 0.000 2.755 0.033) 2.755 20.349 ( 0.000 0.580 -4.728) 4.764 ======================= Grid point 463 (154/160) ======================= q-point: ( 0.14 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.278 ( 6.731 6.239 1.931) 9.379 4.305 ( 9.059 7.388 -0.979) 11.730 4.770 ( 3.848 -2.191 9.988) 10.925 5.037 ( 1.420 -9.100 -14.111) 16.851 5.185 ( -2.705 16.529 3.141) 17.041 5.251 ( -1.407 14.004 -3.872) 14.597 5.996 ( -1.292 1.572 5.375) 5.747 6.131 ( -2.070 -3.289 -7.837) 8.747 7.408 ( 6.049 2.209 7.390) 9.802 7.538 ( 6.277 -3.836 -5.044) 8.919 8.695 ( -8.281 3.599 12.619) 15.517 8.780 ( -7.023 2.326 4.028) 8.424 9.948 ( 3.513 5.523 5.767) 8.724 10.096 ( 4.022 2.082 -7.909) 9.113 10.718 ( 0.914 3.443 11.964) 12.483 10.834 ( 1.973 2.353 2.713) 4.098 11.022 ( 7.116 1.791 5.743) 9.318 11.130 ( 9.277 -1.349 -5.217) 10.729 11.857 ( 1.404 6.336 15.705) 16.993 12.179 ( -4.393 9.774 -13.283) 17.066 12.746 ( -6.105 1.709 23.444) 24.286 12.938 ( 0.093 17.504 11.845) 21.135 13.176 ( -10.769 -1.699 -7.426) 13.191 13.322 ( -2.864 5.073 -13.417) 14.627 13.487 ( -9.206 -5.637 10.272) 14.901 13.765 ( 1.817 -7.190 -8.612) 11.364 14.324 ( -2.375 -14.322 -10.029) 17.644 14.397 ( -1.747 -14.015 -16.278) 21.551 16.347 ( 1.911 -9.136 7.917) 12.240 16.491 ( 1.764 -10.190 -5.442) 11.686 17.021 ( -4.981 -0.688 10.323) 11.483 17.189 ( -6.414 -5.354 -5.328) 9.909 18.956 ( 13.274 -5.052 0.727) 14.222 18.993 ( 12.658 -5.770 -2.909) 14.212 20.261 ( -3.859 2.337 -0.035) 4.512 20.312 ( -4.042 0.218 -4.645) 6.161 ======================= Grid point 464 (155/160) ======================= q-point: ( 0.29 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.431 ( 8.830 7.634 4.677) 12.574 4.503 ( 10.324 9.086 -2.309) 13.945 4.875 ( 6.781 -4.287 9.544) 12.468 5.027 ( -2.808 -0.504 -2.902) 4.069 5.131 ( -2.631 17.795 1.199) 18.028 5.252 ( 1.917 10.101 -11.206) 15.208 5.966 ( -1.622 -0.158 3.230) 3.618 6.078 ( -3.464 -2.592 -7.439) 8.605 7.568 ( 10.801 2.972 7.754) 13.625 7.700 ( 10.646 -2.224 -4.998) 11.969 8.486 ( -13.424 3.890 10.534) 17.502 8.591 ( -12.798 1.261 0.314) 12.863 10.056 ( 8.063 7.691 7.987) 13.710 10.213 ( 8.461 4.633 -6.474) 11.618 10.662 ( -7.205 7.470 11.664) 15.613 10.781 ( -5.743 3.881 0.764) 6.973 11.283 ( 18.314 -0.634 8.239) 20.092 11.442 ( 23.036 -3.237 -4.483) 23.691 11.900 ( 2.962 5.958 10.377) 12.327 12.082 ( -5.215 10.651 -2.805) 12.187 12.603 ( -8.730 1.402 19.529) 21.437 12.794 ( -14.944 12.958 3.696) 20.122 13.006 ( -8.577 -5.554 -1.935) 10.400 13.173 ( -16.250 -8.030 -8.536) 20.035 13.377 ( 3.033 3.204 8.397) 9.486 13.756 ( -3.155 -4.576 -20.801) 21.531 14.277 ( -1.598 -15.471 -4.010) 16.062 14.364 ( -1.946 -15.630 -11.319) 19.396 16.408 ( 4.587 -5.244 7.695) 10.380 16.540 ( 3.209 -6.272 -4.538) 8.380 16.913 ( -5.853 -4.474 9.233) 11.812 17.049 ( -7.995 -7.071 -3.352) 11.187 19.262 ( 18.074 -2.731 -0.630) 18.290 19.290 ( 17.801 -3.565 -3.328) 18.457 20.150 ( -8.013 0.986 -0.194) 8.076 20.196 ( -8.411 -0.923 -4.354) 9.516 ======================= Grid point 465 (156/160) ======================= q-point: ( 0.43 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.581 ( 6.504 7.642 5.644) 11.514 4.632 ( 2.265 7.622 1.445) 8.082 4.939 ( 0.184 6.156 1.604) 6.365 4.974 ( -2.871 4.775 -1.585) 5.792 5.160 ( 6.763 12.832 2.927) 14.798 5.265 ( -2.306 8.460 -6.018) 10.635 5.956 ( 1.083 -2.951 -1.852) 3.649 6.007 ( -3.807 -3.235 -6.335) 8.068 7.796 ( 12.547 4.069 7.115) 14.987 7.893 ( 6.722 1.207 -1.875) 7.082 8.247 ( -8.481 2.109 6.259) 10.750 8.334 ( -13.226 0.001 -1.712) 13.336 10.240 ( 11.029 9.223 9.957) 17.488 10.380 ( 5.057 7.015 -0.317) 8.653 10.503 ( -5.118 7.923 6.448) 11.426 10.633 ( -9.801 5.020 -2.666) 11.330 11.632 ( 16.811 4.378 11.680) 20.933 11.847 ( -0.691 4.040 -5.250) 6.660 11.949 ( 18.534 5.203 9.259) 21.361 12.090 ( 7.616 2.903 2.205) 8.443 12.402 ( -13.019 4.883 15.744) 21.005 12.469 ( -19.125 5.042 4.905) 20.378 12.843 ( -5.646 -13.517 -1.641) 14.741 12.888 ( -10.073 -14.413 -4.354) 18.115 13.502 ( 8.346 4.119 -4.358) 10.277 13.654 ( -7.296 0.296 -16.247) 17.813 14.279 ( 1.625 -16.053 -3.914) 16.603 14.321 ( -2.528 -15.683 -7.878) 17.732 16.508 ( 5.553 -1.296 6.261) 8.468 16.578 ( -0.625 -0.356 0.388) 0.818 16.842 ( -0.363 -10.305 4.529) 11.262 16.909 ( -6.421 -9.705 -1.178) 11.696 19.580 ( 14.149 0.655 -1.651) 14.260 19.603 ( 13.292 -0.024 -3.889) 13.849 19.976 ( -8.904 -2.246 -0.493) 9.197 20.008 ( -10.609 -3.295 -3.426) 11.625 ======================= Grid point 469 (157/160) ======================= q-point: ( 0.00 0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.291 ( 0.000 2.189 -0.777) 2.323 4.291 ( 0.000 2.199 -0.767) 2.328 4.736 ( 0.000 2.338 0.915) 2.511 4.838 ( 0.000 -7.876 -8.825) 11.829 5.445 ( 0.000 6.400 1.246) 6.520 5.456 ( 0.000 4.711 -0.085) 4.712 6.072 ( 0.000 3.437 2.029) 3.991 6.104 ( 0.000 -0.714 -1.490) 1.652 7.323 ( 0.000 -2.040 1.844) 2.749 7.357 ( 0.000 -5.662 -1.331) 5.817 8.822 ( 0.000 2.249 14.818) 14.987 8.859 ( 0.000 -1.082 10.969) 11.022 10.024 ( 0.000 4.843 -1.634) 5.111 10.074 ( 0.000 -0.291 -6.208) 6.215 10.726 ( 0.000 2.439 2.808) 3.720 10.772 ( 0.000 -1.559 -0.247) 1.579 11.061 ( 0.000 1.914 3.653) 4.124 11.070 ( 0.000 0.802 2.049) 2.201 12.018 ( 0.000 10.417 20.131) 22.666 12.213 ( 0.000 -7.935 6.782) 10.438 12.951 ( 0.000 11.293 -0.435) 11.302 13.148 ( 0.000 -2.281 -4.257) 4.829 13.260 ( 0.000 3.432 -2.435) 4.208 13.399 ( 0.000 -1.857 -4.670) 5.025 13.607 ( 0.000 -0.399 14.666) 14.672 13.640 ( 0.000 3.304 16.821) 17.142 14.128 ( 0.000 -3.454 -21.751) 22.023 14.229 ( 0.000 -9.543 -26.795) 28.443 16.189 ( 0.000 -2.194 3.987) 4.550 16.260 ( 0.000 -8.736 -2.489) 9.084 17.112 ( 0.000 2.871 4.447) 5.293 17.176 ( 0.000 -3.669 -1.432) 3.939 18.754 ( 0.000 -1.134 0.521) 1.248 18.772 ( 0.000 -2.909 -1.273) 3.175 20.336 ( 0.000 1.335 -1.553) 2.049 20.352 ( 0.000 -0.339 -2.984) 3.003 ======================= Grid point 470 (158/160) ======================= q-point: ( 0.14 0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.377 ( 8.774 3.711 0.770) 9.558 4.400 ( 10.553 1.933 -1.311) 10.809 4.752 ( 1.728 1.785 1.169) 2.746 4.856 ( 1.855 -8.223 -8.515) 11.982 5.434 ( -0.896 7.296 1.135) 7.438 5.452 ( -0.250 5.150 -0.737) 5.208 6.045 ( -2.942 2.795 2.023) 4.534 6.081 ( -2.575 -1.478 -1.804) 3.474 7.398 ( 7.758 -1.130 2.154) 8.130 7.433 ( 7.925 -4.938 -1.180) 9.412 8.748 ( -7.872 2.336 12.872) 15.268 8.786 ( -7.748 -1.282 8.970) 11.922 10.068 ( 4.831 5.327 0.164) 7.193 10.124 ( 5.311 -0.228 -4.845) 7.193 10.777 ( 3.650 3.184 5.580) 7.389 10.833 ( 3.638 -2.015 1.441) 4.402 11.080 ( 4.671 2.837 2.839) 6.158 11.115 ( 6.306 -0.844 -1.476) 6.531 12.021 ( 0.578 10.014 18.700) 21.220 12.204 ( -0.698 -6.711 5.595) 8.765 12.841 ( -10.238 9.337 5.174) 14.790 13.048 ( -10.804 -10.107 -9.976) 17.844 13.256 ( -1.495 12.760 8.098) 15.187 13.406 ( -5.744 0.493 -3.318) 6.652 13.515 ( -7.333 5.438 11.166) 14.423 13.619 ( 1.128 -5.904 4.762) 7.668 14.112 ( -1.945 -5.323 -19.265) 20.081 14.169 ( -5.056 -9.182 -23.300) 25.550 16.232 ( 4.392 -1.604 4.038) 6.178 16.298 ( 4.005 -7.881 -2.045) 9.074 17.042 ( -6.788 2.299 4.771) 8.610 17.102 ( -7.202 -3.750 -0.664) 8.147 18.899 ( 14.388 -0.948 -0.171) 14.420 18.914 ( 14.086 -2.401 -1.643) 14.383 20.294 ( -4.497 1.161 -1.592) 4.910 20.310 ( -4.559 -0.454 -2.969) 5.460 ======================= Grid point 471 (159/160) ======================= q-point: ( 0.29 0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.571 ( 10.545 6.589 3.152) 12.828 4.636 ( 12.727 2.807 -2.631) 13.295 4.797 ( 2.991 -0.786 2.394) 3.911 4.898 ( 2.229 -8.221 -6.755) 10.872 5.429 ( 1.018 10.302 1.179) 10.419 5.467 ( 2.560 6.617 -2.760) 7.612 5.959 ( -6.231 0.232 1.974) 6.541 6.003 ( -5.751 -4.057 -2.577) 7.495 7.600 ( 13.533 1.151 2.951) 13.899 7.639 ( 13.756 -3.057 -0.826) 14.115 8.538 ( -14.116 2.099 8.928) 16.834 8.578 ( -14.091 -1.857 4.996) 15.065 10.203 ( 9.391 6.214 3.646) 11.836 10.267 ( 9.718 -0.006 -2.040) 9.930 10.769 ( -5.109 3.832 7.852) 10.122 10.813 ( -5.052 -0.505 3.729) 6.299 11.317 ( 19.982 3.248 1.620) 20.309 11.382 ( 21.755 -3.152 -4.725) 22.485 12.052 ( 3.038 9.224 14.382) 17.354 12.199 ( 0.324 -2.442 1.887) 3.103 12.617 ( -12.565 5.491 11.269) 17.749 12.808 ( -13.627 -10.760 -5.016) 18.073 13.027 ( -22.658 5.082 7.100) 24.282 13.067 ( -25.131 -0.941 7.688) 26.298 13.543 ( 6.811 10.539 -2.175) 12.735 13.697 ( 5.550 -3.655 -10.675) 12.574 14.040 ( -4.710 -6.432 -12.557) 14.874 14.098 ( -2.987 -10.528 -15.352) 18.853 16.346 ( 7.645 -0.336 4.255) 8.756 16.405 ( 7.241 -6.003 -1.107) 9.470 16.886 ( -9.355 1.019 5.180) 10.742 16.938 ( -9.652 -4.222 0.401) 10.543 19.234 ( 20.028 -0.358 -1.239) 20.069 19.244 ( 19.836 -1.330 -2.213) 20.003 20.164 ( -9.507 0.595 -1.680) 9.672 20.178 ( -9.618 -0.848 -2.914) 10.086 ======================= Grid point 472 (160/160) ======================= q-point: ( 0.43 0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.730 ( 5.867 7.652 3.002) 10.099 4.777 ( 1.349 7.315 -1.048) 7.512 4.876 ( 4.654 -6.649 0.666) 8.144 4.920 ( -0.298 -6.551 -3.263) 7.325 5.495 ( 5.643 15.686 1.204) 16.714 5.540 ( 3.082 13.424 -3.067) 14.110 5.838 ( -4.553 -7.826 0.696) 9.081 5.876 ( -6.863 -9.260 -3.015) 11.914 7.885 ( 16.018 4.359 3.895) 17.051 7.923 ( 15.373 0.787 0.175) 15.394 8.246 ( -15.745 -0.409 5.490) 16.680 8.284 ( -16.351 -3.791 1.839) 16.886 10.403 ( 11.414 6.636 6.315) 14.636 10.467 ( 10.825 0.685 0.679) 10.868 10.619 ( -9.737 4.515 7.511) 13.100 10.674 ( -9.377 -0.650 2.619) 9.757 11.763 ( 25.369 7.614 2.206) 26.578 11.861 ( 26.555 -1.793 -6.776) 27.465 12.120 ( -0.281 9.179 5.634) 10.774 12.188 ( -1.348 5.252 -0.374) 5.435 12.426 ( -7.635 -2.020 15.143) 17.078 12.535 ( -24.386 1.827 7.521) 25.584 12.574 ( -14.396 -14.480 3.086) 20.650 12.591 ( -16.362 -7.822 3.696) 18.509 13.683 ( 7.046 11.961 -6.829) 15.470 13.764 ( -0.169 8.365 -13.524) 15.903 13.984 ( -0.074 -13.197 -6.296) 14.622 14.033 ( -3.862 -13.382 -10.633) 17.523 16.506 ( 8.970 1.397 4.380) 10.079 16.554 ( 7.766 -2.525 -0.124) 8.167 16.710 ( -8.520 -1.965 5.132) 10.138 16.756 ( -9.454 -5.669 0.875) 11.058 19.604 ( 18.425 1.227 -1.833) 18.557 19.612 ( 18.421 0.397 -2.658) 18.616 19.940 ( -14.100 -1.016 -1.726) 14.242 19.951 ( -14.329 -2.104 -2.733) 14.738 =================== 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 3/34020 10.0 2694.750 982.046 1717.958 0.000 0.000 -0.000 3/34020 20.0 1529.056 1585.979 1160.776 0.000 0.000 -0.000 3/34020 30.0 762.012 944.735 674.113 0.000 0.000 -0.000 3/34020 40.0 428.930 576.414 440.688 0.000 0.000 -0.000 3/34020 50.0 270.215 378.594 301.097 0.000 0.000 0.000 3/34020 60.0 183.076 264.300 214.541 0.000 0.000 0.000 3/34020 70.0 131.242 193.879 159.343 0.000 0.000 0.000 3/34020 80.0 98.526 148.173 122.837 0.000 0.000 0.000 3/34020 90.0 76.842 117.196 97.794 0.000 0.000 0.000 3/34020 100.0 61.862 95.410 80.029 0.000 0.000 0.000 3/34020 110.0 51.138 79.588 67.043 0.000 0.000 0.000 3/34020 120.0 43.222 67.768 57.291 0.000 0.000 0.000 3/34020 130.0 37.219 58.715 49.792 0.000 0.000 0.000 3/34020 140.0 32.559 51.628 43.900 0.000 0.000 0.000 3/34020 150.0 28.866 45.971 39.182 0.000 0.000 0.000 3/34020 160.0 25.886 41.376 35.340 0.000 0.000 0.000 3/34020 170.0 23.441 37.586 32.163 0.000 0.000 0.000 3/34020 180.0 21.407 34.417 29.501 0.000 0.000 0.000 3/34020 190.0 19.693 31.734 27.242 0.000 0.000 0.000 3/34020 200.0 18.232 29.438 25.305 0.000 0.000 0.000 3/34020 210.0 16.974 27.453 23.628 0.000 0.000 0.000 3/34020 220.0 15.880 25.722 22.162 0.000 0.000 0.000 3/34020 230.0 14.921 24.200 20.872 0.000 0.000 0.000 3/34020 240.0 14.073 22.853 19.727 0.000 0.000 0.000 3/34020 250.0 13.320 21.651 18.704 0.000 0.000 0.000 3/34020 260.0 12.646 20.573 17.786 0.000 0.000 0.000 3/34020 270.0 12.039 19.601 16.957 0.000 0.000 0.000 3/34020 280.0 11.489 18.720 16.204 0.000 0.000 0.000 3/34020 290.0 10.990 17.918 15.518 0.000 0.000 0.000 3/34020 300.0 10.534 17.185 14.890 0.000 0.000 0.000 3/34020 310.0 10.116 16.511 14.313 0.000 0.000 0.000 3/34020 320.0 9.731 15.890 13.780 0.000 0.000 0.000 3/34020 330.0 9.376 15.317 13.288 0.000 0.000 0.000 3/34020 340.0 9.047 14.785 12.831 0.000 0.000 0.000 3/34020 350.0 8.741 14.290 12.405 0.000 0.000 0.000 3/34020 360.0 8.456 13.828 12.008 0.000 0.000 0.000 3/34020 370.0 8.190 13.397 11.637 0.000 0.000 0.000 3/34020 380.0 7.941 12.993 11.288 0.000 0.000 -0.000 3/34020 390.0 7.707 12.613 10.961 0.000 0.000 -0.000 3/34020 400.0 7.488 12.256 10.653 0.000 0.000 -0.000 3/34020 410.0 7.280 11.920 10.362 0.000 0.000 -0.000 3/34020 420.0 7.085 11.602 10.088 0.000 0.000 -0.000 3/34020 430.0 6.900 11.301 9.828 0.000 0.000 -0.000 3/34020 440.0 6.725 11.016 9.582 0.000 0.000 -0.000 3/34020 450.0 6.559 10.745 9.348 0.000 0.000 -0.000 3/34020 460.0 6.401 10.488 9.125 0.000 0.000 -0.000 3/34020 470.0 6.251 10.244 8.914 0.000 0.000 -0.000 3/34020 480.0 6.108 10.011 8.712 0.000 0.000 -0.000 3/34020 490.0 5.972 9.788 8.519 0.000 0.000 -0.000 3/34020 500.0 5.841 9.576 8.335 0.000 0.000 -0.000 3/34020 510.0 5.717 9.373 8.159 0.000 0.000 -0.000 3/34020 520.0 5.598 9.178 7.991 0.000 0.000 -0.000 3/34020 530.0 5.484 8.992 7.829 0.000 0.000 -0.000 3/34020 540.0 5.374 8.814 7.675 0.000 0.000 -0.000 3/34020 550.0 5.270 8.642 7.526 0.000 0.000 -0.000 3/34020 560.0 5.169 8.477 7.383 0.000 0.000 -0.000 3/34020 570.0 5.072 8.319 7.246 0.000 0.000 -0.000 3/34020 580.0 4.979 8.167 7.113 0.000 0.000 -0.000 3/34020 590.0 4.889 8.020 6.986 0.000 0.000 -0.000 3/34020 600.0 4.802 7.878 6.863 0.000 0.000 -0.000 3/34020 610.0 4.719 7.742 6.745 0.000 0.000 -0.000 3/34020 620.0 4.638 7.610 6.630 0.000 0.000 -0.000 3/34020 630.0 4.561 7.483 6.520 0.000 0.000 -0.000 3/34020 640.0 4.485 7.360 6.413 0.000 0.000 -0.000 3/34020 650.0 4.413 7.241 6.310 0.000 0.000 -0.000 3/34020 660.0 4.343 7.126 6.210 0.000 0.000 -0.000 3/34020 670.0 4.275 7.015 6.113 0.000 0.000 -0.000 3/34020 680.0 4.209 6.907 6.019 0.000 0.000 -0.000 3/34020 690.0 4.145 6.803 5.929 0.000 0.000 -0.000 3/34020 700.0 4.083 6.701 5.841 0.000 0.000 -0.000 3/34020 710.0 4.023 6.603 5.755 0.000 0.000 -0.000 3/34020 720.0 3.965 6.508 5.672 0.000 0.000 -0.000 3/34020 730.0 3.908 6.415 5.592 0.000 0.000 -0.000 3/34020 740.0 3.853 6.325 5.513 0.000 0.000 -0.000 3/34020 750.0 3.800 6.238 5.437 0.000 0.000 -0.000 3/34020 760.0 3.748 6.153 5.363 0.000 0.000 -0.000 3/34020 770.0 3.698 6.070 5.292 0.000 0.000 -0.000 3/34020 780.0 3.648 5.990 5.222 0.000 0.000 -0.000 3/34020 790.0 3.601 5.911 5.153 0.000 0.000 -0.000 3/34020 800.0 3.554 5.835 5.087 0.000 0.000 -0.000 3/34020 810.0 3.509 5.761 5.022 0.000 0.000 -0.000 3/34020 820.0 3.465 5.688 4.959 0.000 0.000 -0.000 3/34020 830.0 3.422 5.618 4.898 0.000 0.000 -0.000 3/34020 840.0 3.380 5.549 4.838 0.000 0.000 -0.000 3/34020 850.0 3.339 5.482 4.780 0.000 0.000 -0.000 3/34020 860.0 3.299 5.417 4.723 0.000 0.000 -0.000 3/34020 870.0 3.260 5.353 4.667 0.000 0.000 -0.000 3/34020 880.0 3.222 5.290 4.613 0.000 0.000 -0.000 3/34020 890.0 3.184 5.229 4.560 0.000 0.000 -0.000 3/34020 900.0 3.148 5.170 4.508 0.000 0.000 -0.000 3/34020 910.0 3.113 5.112 4.457 0.000 0.000 -0.000 3/34020 920.0 3.078 5.055 4.408 0.000 0.000 -0.000 3/34020 930.0 3.044 4.999 4.359 0.000 0.000 -0.000 3/34020 940.0 3.011 4.945 4.312 0.000 0.000 -0.000 3/34020 950.0 2.978 4.891 4.266 0.000 0.000 -0.000 3/34020 960.0 2.947 4.839 4.220 0.000 0.000 -0.000 3/34020 970.0 2.916 4.788 4.176 0.000 0.000 -0.000 3/34020 980.0 2.885 4.739 4.132 0.000 0.000 -0.000 3/34020 990.0 2.855 4.690 4.090 0.000 0.000 -0.000 3/34020 1000.0 2.826 4.642 4.048 0.000 0.000 -0.000 3/34020 Thermal conductivity related properties were written into "kappa-m7159.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:38:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|