----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:36:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.340485906190039 -6.188015930000000 0.000000000000000 b 4.340485906190039 6.188015930000000 0.000000000000000 c -3.620593016960690 0.000000000000000 7.309048244464285 Atomic positions (fractional): *1 S 0.05001783631326 0.75538034549299 0.69874011118748 32.065 2 S 0.24461965450701 0.94998216368675 0.30125988881252 32.065 *3 S 0.36883244590610 0.36883244590610 0.14002311101989 32.065 4 S 0.63116755409390 0.63116755409390 0.85997688898011 32.065 5 S 0.94998216368675 0.24461965450701 0.30125988881252 32.065 6 S 0.75538034549299 0.05001783631326 0.69874011118748 32.065 *7 K 0.78446035210256 0.78446035210256 0.31553432812738 39.098 8 K 0.21553964789744 0.21553964789744 0.68446567187262 39.098 *9 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 10 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 *11 K 0.33338661136687 0.66661338863313 0.50000000000000 39.098 12 K 0.66661338863313 0.33338661136687 0.50000000000000 39.098 *13 Ge 0.11858204229207 0.11858204229207 0.15605764353274 72.640 14 Ge 0.88141795770793 0.88141795770793 0.84394235646726 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.680971812380077 0.000000000000000 0.000000000000000 b 0.000000000000000 12.376031859999999 0.000000000000000 c -3.620593016960690 0.000000000000000 7.309048244464285 Atomic positions (fractional): *1 S 0.40269909090312 0.35268125458987 0.69874011118748 32.065 > 1 2 S 0.59730090909688 0.35268125458987 0.30125988881252 32.065 > 2 *3 S 0.36883244590610 0.00000000000000 0.14002311101989 32.065 > 3 4 S 0.63116755409390 0.00000000000000 0.85997688898011 32.065 > 4 5 S 0.59730090909688 0.64731874541013 0.30125988881252 32.065 > 5 6 S 0.40269909090312 0.64731874541013 0.69874011118748 32.065 > 6 7 S 0.90269909090312 0.85268125458987 0.69874011118748 32.065 > 1 8 S 0.09730090909688 0.85268125458987 0.30125988881252 32.065 > 2 9 S 0.86883244590610 0.50000000000000 0.14002311101989 32.065 > 3 10 S 0.13116755409390 0.50000000000000 0.85997688898011 32.065 > 4 11 S 0.09730090909688 0.14731874541013 0.30125988881252 32.065 > 5 12 S 0.90269909090312 0.14731874541013 0.69874011118748 32.065 > 6 *13 K 0.78446035210256 0.00000000000000 0.31553432812738 39.098 > 7 14 K 0.21553964789744 0.00000000000000 0.68446567187262 39.098 > 8 *15 K 0.75000000000000 0.25000000000000 0.00000000000000 39.098 > 9 16 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 10 *17 K 0.50000000000000 0.16661338863313 0.50000000000000 39.098 > 11 18 K 0.50000000000000 0.83338661136687 0.50000000000000 39.098 > 12 19 K 0.28446035210256 0.50000000000000 0.31553432812738 39.098 > 7 20 K 0.71553964789744 0.50000000000000 0.68446567187262 39.098 > 8 21 K 0.25000000000000 0.75000000000000 0.00000000000000 39.098 > 9 22 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 10 23 K 0.00000000000000 0.66661338863313 0.50000000000000 39.098 > 11 24 K 0.00000000000000 0.33338661136687 0.50000000000000 39.098 > 12 *25 Ge 0.11858204229207 0.00000000000000 0.15605764353274 72.640 > 13 26 Ge 0.88141795770793 0.00000000000000 0.84394235646726 72.640 > 14 27 Ge 0.61858204229207 0.50000000000000 0.15605764353274 72.640 > 13 28 Ge 0.38141795770793 0.50000000000000 0.84394235646726 72.640 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.361943624760155 0.000000000000000 0.000000000000000 b 0.000000000000000 12.376031859999999 0.000000000000000 c -7.241186033921380 0.000000000000000 14.618096488928570 Atomic positions (fractional): *1 S 0.20134954545156 0.35268125458987 0.34937005559374 32.065 > 1 2 S 0.70134954545156 0.35268125458987 0.34937005559374 32.065 > 1 3 S 0.20134954545156 0.35268125458987 0.84937005559374 32.065 > 1 4 S 0.70134954545156 0.35268125458987 0.84937005559374 32.065 > 1 5 S 0.29865045454844 0.35268125458987 0.15062994440626 32.065 > 2 6 S 0.79865045454844 0.35268125458987 0.15062994440626 32.065 > 2 7 S 0.29865045454844 0.35268125458987 0.65062994440626 32.065 > 2 8 S 0.79865045454844 0.35268125458987 0.65062994440626 32.065 > 2 *9 S 0.18441622295305 0.00000000000000 0.07001155550994 32.065 > 3 10 S 0.68441622295305 0.00000000000000 0.07001155550994 32.065 > 3 11 S 0.18441622295305 0.00000000000000 0.57001155550994 32.065 > 3 12 S 0.68441622295305 0.00000000000000 0.57001155550994 32.065 > 3 13 S 0.31558377704695 0.00000000000000 0.42998844449006 32.065 > 4 14 S 0.81558377704695 0.00000000000000 0.42998844449006 32.065 > 4 15 S 0.31558377704695 0.00000000000000 0.92998844449006 32.065 > 4 16 S 0.81558377704695 0.00000000000000 0.92998844449006 32.065 > 4 17 S 0.29865045454844 0.64731874541013 0.15062994440626 32.065 > 5 18 S 0.79865045454844 0.64731874541013 0.15062994440626 32.065 > 5 19 S 0.29865045454844 0.64731874541013 0.65062994440626 32.065 > 5 20 S 0.79865045454844 0.64731874541013 0.65062994440626 32.065 > 5 21 S 0.20134954545156 0.64731874541013 0.34937005559374 32.065 > 6 22 S 0.70134954545156 0.64731874541013 0.34937005559374 32.065 > 6 23 S 0.20134954545156 0.64731874541013 0.84937005559374 32.065 > 6 24 S 0.70134954545156 0.64731874541013 0.84937005559374 32.065 > 6 25 S 0.45134954545156 0.85268125458987 0.34937005559374 32.065 > 1 26 S 0.95134954545156 0.85268125458987 0.34937005559374 32.065 > 1 27 S 0.45134954545156 0.85268125458987 0.84937005559374 32.065 > 1 28 S 0.95134954545156 0.85268125458987 0.84937005559374 32.065 > 1 29 S 0.04865045454844 0.85268125458987 0.15062994440626 32.065 > 2 30 S 0.54865045454844 0.85268125458987 0.15062994440626 32.065 > 2 31 S 0.04865045454844 0.85268125458987 0.65062994440626 32.065 > 2 32 S 0.54865045454844 0.85268125458987 0.65062994440626 32.065 > 2 33 S 0.43441622295305 0.50000000000000 0.07001155550994 32.065 > 3 34 S 0.93441622295305 0.50000000000000 0.07001155550994 32.065 > 3 35 S 0.43441622295305 0.50000000000000 0.57001155550994 32.065 > 3 36 S 0.93441622295305 0.50000000000000 0.57001155550994 32.065 > 3 37 S 0.06558377704695 0.50000000000000 0.42998844449006 32.065 > 4 38 S 0.56558377704695 0.50000000000000 0.42998844449006 32.065 > 4 39 S 0.06558377704695 0.50000000000000 0.92998844449006 32.065 > 4 40 S 0.56558377704695 0.50000000000000 0.92998844449006 32.065 > 4 41 S 0.04865045454844 0.14731874541013 0.15062994440626 32.065 > 5 42 S 0.54865045454844 0.14731874541013 0.15062994440626 32.065 > 5 43 S 0.04865045454844 0.14731874541013 0.65062994440626 32.065 > 5 44 S 0.54865045454844 0.14731874541013 0.65062994440626 32.065 > 5 45 S 0.45134954545156 0.14731874541013 0.34937005559374 32.065 > 6 46 S 0.95134954545156 0.14731874541013 0.34937005559374 32.065 > 6 47 S 0.45134954545156 0.14731874541013 0.84937005559374 32.065 > 6 48 S 0.95134954545156 0.14731874541013 0.84937005559374 32.065 > 6 *49 K 0.39223017605128 0.00000000000000 0.15776716406369 39.098 > 7 50 K 0.89223017605128 0.00000000000000 0.15776716406369 39.098 > 7 51 K 0.39223017605128 0.00000000000000 0.65776716406369 39.098 > 7 52 K 0.89223017605128 0.00000000000000 0.65776716406369 39.098 > 7 53 K 0.10776982394872 0.00000000000000 0.34223283593631 39.098 > 8 54 K 0.60776982394872 0.00000000000000 0.34223283593631 39.098 > 8 55 K 0.10776982394872 0.00000000000000 0.84223283593631 39.098 > 8 56 K 0.60776982394872 0.00000000000000 0.84223283593631 39.098 > 8 *57 K 0.37500000000000 0.25000000000000 0.00000000000000 39.098 > 9 58 K 0.87500000000000 0.25000000000000 0.00000000000000 39.098 > 9 59 K 0.37500000000000 0.25000000000000 0.50000000000000 39.098 > 9 60 K 0.87500000000000 0.25000000000000 0.50000000000000 39.098 > 9 61 K 0.37500000000000 0.75000000000000 0.00000000000000 39.098 > 10 62 K 0.87500000000000 0.75000000000000 0.00000000000000 39.098 > 10 63 K 0.37500000000000 0.75000000000000 0.50000000000000 39.098 > 10 64 K 0.87500000000000 0.75000000000000 0.50000000000000 39.098 > 10 *65 K 0.25000000000000 0.16661338863313 0.25000000000000 39.098 > 11 66 K 0.75000000000000 0.16661338863313 0.25000000000000 39.098 > 11 67 K 0.25000000000000 0.16661338863313 0.75000000000000 39.098 > 11 68 K 0.75000000000000 0.16661338863313 0.75000000000000 39.098 > 11 69 K 0.25000000000000 0.83338661136687 0.25000000000000 39.098 > 12 70 K 0.75000000000000 0.83338661136687 0.25000000000000 39.098 > 12 71 K 0.25000000000000 0.83338661136687 0.75000000000000 39.098 > 12 72 K 0.75000000000000 0.83338661136687 0.75000000000000 39.098 > 12 73 K 0.14223017605128 0.50000000000000 0.15776716406369 39.098 > 7 74 K 0.64223017605128 0.50000000000000 0.15776716406369 39.098 > 7 75 K 0.14223017605128 0.50000000000000 0.65776716406369 39.098 > 7 76 K 0.64223017605128 0.50000000000000 0.65776716406369 39.098 > 7 77 K 0.35776982394872 0.50000000000000 0.34223283593631 39.098 > 8 78 K 0.85776982394872 0.50000000000000 0.34223283593631 39.098 > 8 79 K 0.35776982394872 0.50000000000000 0.84223283593631 39.098 > 8 80 K 0.85776982394872 0.50000000000000 0.84223283593631 39.098 > 8 81 K 0.12500000000000 0.75000000000000 0.00000000000000 39.098 > 9 82 K 0.62500000000000 0.75000000000000 0.00000000000000 39.098 > 9 83 K 0.12500000000000 0.75000000000000 0.50000000000000 39.098 > 9 84 K 0.62500000000000 0.75000000000000 0.50000000000000 39.098 > 9 85 K 0.12500000000000 0.25000000000000 0.00000000000000 39.098 > 10 86 K 0.62500000000000 0.25000000000000 0.00000000000000 39.098 > 10 87 K 0.12500000000000 0.25000000000000 0.50000000000000 39.098 > 10 88 K 0.62500000000000 0.25000000000000 0.50000000000000 39.098 > 10 89 K 0.00000000000000 0.66661338863313 0.25000000000000 39.098 > 11 90 K 0.50000000000000 0.66661338863313 0.25000000000000 39.098 > 11 91 K 0.00000000000000 0.66661338863313 0.75000000000000 39.098 > 11 92 K 0.50000000000000 0.66661338863313 0.75000000000000 39.098 > 11 93 K 0.00000000000000 0.33338661136687 0.25000000000000 39.098 > 12 94 K 0.50000000000000 0.33338661136687 0.25000000000000 39.098 > 12 95 K 0.00000000000000 0.33338661136687 0.75000000000000 39.098 > 12 96 K 0.50000000000000 0.33338661136687 0.75000000000000 39.098 > 12 *97 Ge 0.05929102114604 0.00000000000000 0.07802882176637 72.640 > 13 98 Ge 0.55929102114604 0.00000000000000 0.07802882176637 72.640 > 13 99 Ge 0.05929102114604 0.00000000000000 0.57802882176637 72.640 > 13 100 Ge 0.55929102114604 0.00000000000000 0.57802882176637 72.640 > 13 101 Ge 0.44070897885396 0.00000000000000 0.42197117823363 72.640 > 14 102 Ge 0.94070897885396 0.00000000000000 0.42197117823363 72.640 > 14 103 Ge 0.44070897885396 0.00000000000000 0.92197117823363 72.640 > 14 104 Ge 0.94070897885396 0.00000000000000 0.92197117823363 72.640 > 14 105 Ge 0.30929102114604 0.50000000000000 0.07802882176637 72.640 > 13 106 Ge 0.80929102114604 0.50000000000000 0.07802882176637 72.640 > 13 107 Ge 0.30929102114604 0.50000000000000 0.57802882176637 72.640 > 13 108 Ge 0.80929102114604 0.50000000000000 0.57802882176637 72.640 > 13 109 Ge 0.19070897885396 0.50000000000000 0.42197117823363 72.640 > 14 110 Ge 0.69070897885396 0.50000000000000 0.42197117823363 72.640 > 14 111 Ge 0.19070897885396 0.50000000000000 0.92197117823363 72.640 > 14 112 Ge 0.69070897885396 0.50000000000000 0.92197117823363 72.640 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8898174 0.0000000 0.0046103 0.0000000 3.8487466 0.0000000 0.0046078 0.0000000 3.9865364 -------------------------- Born effective charges -------------------------- 1 S -1.5096272 0.3197991 0.1394804 0.3499861 -2.1666145 -0.5525674 0.2793629 -0.7362464 -1.9236449 2 S -1.5096272 -0.3197991 0.1394804 -0.3499861 -2.1666145 0.5525674 0.2793629 0.7362464 -1.9236449 3 S -2.6875812 0.0000000 -0.2152983 0.0000000 -1.3598622 0.0000000 -0.3004507 0.0000000 -1.4991759 4 S -2.6875812 0.0000000 -0.2152983 0.0000000 -1.3598622 0.0000000 -0.3004507 0.0000000 -1.4991759 5 S -1.5096272 0.3197991 0.1394804 0.3499861 -2.1666145 -0.5525674 0.2793629 -0.7362464 -1.9236449 6 S -1.5096272 -0.3197991 0.1394804 -0.3499861 -2.1666145 0.5525674 0.2793629 0.7362464 -1.9236449 7 K 1.4006880 0.0000000 -0.0978778 0.0000000 0.8819963 0.0000000 -0.1175616 0.0000000 1.3502151 8 K 1.4006880 0.0000000 -0.0978778 0.0000000 0.8819963 0.0000000 -0.1175616 0.0000000 1.3502151 9 K 1.0717872 -0.3537597 0.0057387 -0.3956781 1.3663947 0.0219133 -0.0084338 0.0890712 0.9302787 10 K 1.0717872 0.3537597 0.0057387 0.3956781 1.3663947 -0.0219133 -0.0084338 -0.0890712 0.9302787 11 K 1.0785677 0.0000000 0.1808825 0.0000000 1.2732627 0.0000000 0.1091442 0.0000000 1.3017379 12 K 1.0785677 0.0000000 0.1808825 0.0000000 1.2732627 0.0000000 0.1091442 0.0000000 1.3017379 13 Ge 2.1557927 0.0000000 -0.1524059 0.0000000 2.1714375 0.0000000 -0.2414241 0.0000000 1.7642340 14 Ge 2.1557927 0.0000000 -0.1524059 0.0000000 2.1714375 0.0000000 -0.2414241 0.0000000 1.7642340 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8592/8592 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1946 Number of blocks in projector: 1946 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: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 278 Use standard eigh solver. Tree of FC basis block matrices: - (1946, 1909), data: False |-- (278, 272), data: True |-- (278, 272), data: True |-- (278, 272), data: True |-- (320, 316), data: True |-- (320, 316), data: True |-- (472, 461), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 3.202 Solver_block: 200 / 480 - Time: 3.194 Solver_block: 300 / 480 - Time: 3.203 Solver_block: 400 / 480 - Time: 3.196 Solver_block: 480 / 480 - Time: 2.571 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.422 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 8592/8592 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1946 Number of blocks in projector: 1946 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: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 278 Use standard eigh solver. Tree of FC basis block matrices: - (1946, 1909), data: False |-- (278, 272), data: True |-- (278, 272), data: True |-- (278, 272), data: True |-- (320, 316), data: True |-- (320, 316), data: True |-- (472, 461), 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 00:37:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:37:25]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.340485906190039 -6.188015930000000 0.000000000000000 b 4.340485906190039 6.188015930000000 0.000000000000000 c -3.620593016960690 0.000000000000000 7.309048244464285 Atomic positions (fractional): 1 S 0.05001783631326 0.75538034549299 0.69874011118748 32.065 2 S 0.24461965450701 0.94998216368675 0.30125988881252 32.065 3 S 0.36883244590610 0.36883244590610 0.14002311101989 32.065 4 S 0.63116755409390 0.63116755409390 0.85997688898011 32.065 5 S 0.94998216368675 0.24461965450701 0.30125988881252 32.065 6 S 0.75538034549299 0.05001783631326 0.69874011118748 32.065 7 K 0.78446035210256 0.78446035210256 0.31553432812738 39.098 8 K 0.21553964789744 0.21553964789744 0.68446567187262 39.098 9 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 10 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 11 K 0.33338661136687 0.66661338863313 0.50000000000000 39.098 12 K 0.66661338863313 0.33338661136687 0.50000000000000 39.098 13 Ge 0.11858204229207 0.11858204229207 0.15605764353274 72.640 14 Ge 0.88141795770793 0.88141795770793 0.84394235646726 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.361943624760155 0.000000000000000 0.000000000000000 b 0.000000000000000 12.376031859999999 0.000000000000000 c -7.241186033921380 0.000000000000000 14.618096488928570 Atomic positions (fractional): 1 S 0.20134954545156 0.35268125458987 0.34937005559374 32.065 > 1 2 S 0.70134954545156 0.35268125458987 0.34937005559374 32.065 > 1 3 S 0.20134954545156 0.35268125458987 0.84937005559374 32.065 > 1 4 S 0.70134954545156 0.35268125458987 0.84937005559374 32.065 > 1 5 S 0.29865045454844 0.35268125458987 0.15062994440626 32.065 > 5 6 S 0.79865045454844 0.35268125458987 0.15062994440626 32.065 > 5 7 S 0.29865045454844 0.35268125458987 0.65062994440626 32.065 > 5 8 S 0.79865045454844 0.35268125458987 0.65062994440626 32.065 > 5 9 S 0.18441622295305 0.00000000000000 0.07001155550994 32.065 > 9 10 S 0.68441622295305 0.00000000000000 0.07001155550994 32.065 > 9 11 S 0.18441622295305 0.00000000000000 0.57001155550994 32.065 > 9 12 S 0.68441622295305 0.00000000000000 0.57001155550994 32.065 > 9 13 S 0.31558377704695 0.00000000000000 0.42998844449006 32.065 > 13 14 S 0.81558377704695 0.00000000000000 0.42998844449006 32.065 > 13 15 S 0.31558377704695 0.00000000000000 0.92998844449006 32.065 > 13 16 S 0.81558377704695 0.00000000000000 0.92998844449006 32.065 > 13 17 S 0.29865045454844 0.64731874541013 0.15062994440626 32.065 > 17 18 S 0.79865045454844 0.64731874541013 0.15062994440626 32.065 > 17 19 S 0.29865045454844 0.64731874541013 0.65062994440626 32.065 > 17 20 S 0.79865045454844 0.64731874541013 0.65062994440626 32.065 > 17 21 S 0.20134954545156 0.64731874541013 0.34937005559374 32.065 > 21 22 S 0.70134954545156 0.64731874541013 0.34937005559374 32.065 > 21 23 S 0.20134954545156 0.64731874541013 0.84937005559374 32.065 > 21 24 S 0.70134954545156 0.64731874541013 0.84937005559374 32.065 > 21 25 S 0.45134954545156 0.85268125458987 0.34937005559374 32.065 > 1 26 S 0.95134954545156 0.85268125458987 0.34937005559374 32.065 > 1 27 S 0.45134954545156 0.85268125458987 0.84937005559374 32.065 > 1 28 S 0.95134954545156 0.85268125458987 0.84937005559374 32.065 > 1 29 S 0.04865045454844 0.85268125458987 0.15062994440626 32.065 > 5 30 S 0.54865045454844 0.85268125458987 0.15062994440626 32.065 > 5 31 S 0.04865045454844 0.85268125458987 0.65062994440626 32.065 > 5 32 S 0.54865045454844 0.85268125458987 0.65062994440626 32.065 > 5 33 S 0.43441622295305 0.50000000000000 0.07001155550994 32.065 > 9 34 S 0.93441622295305 0.50000000000000 0.07001155550994 32.065 > 9 35 S 0.43441622295305 0.50000000000000 0.57001155550994 32.065 > 9 36 S 0.93441622295305 0.50000000000000 0.57001155550994 32.065 > 9 37 S 0.06558377704695 0.50000000000000 0.42998844449006 32.065 > 13 38 S 0.56558377704695 0.50000000000000 0.42998844449006 32.065 > 13 39 S 0.06558377704695 0.50000000000000 0.92998844449006 32.065 > 13 40 S 0.56558377704695 0.50000000000000 0.92998844449006 32.065 > 13 41 S 0.04865045454844 0.14731874541013 0.15062994440626 32.065 > 17 42 S 0.54865045454844 0.14731874541013 0.15062994440626 32.065 > 17 43 S 0.04865045454844 0.14731874541013 0.65062994440626 32.065 > 17 44 S 0.54865045454844 0.14731874541013 0.65062994440626 32.065 > 17 45 S 0.45134954545156 0.14731874541013 0.34937005559374 32.065 > 21 46 S 0.95134954545156 0.14731874541013 0.34937005559374 32.065 > 21 47 S 0.45134954545156 0.14731874541013 0.84937005559374 32.065 > 21 48 S 0.95134954545156 0.14731874541013 0.84937005559374 32.065 > 21 49 K 0.39223017605128 0.00000000000000 0.15776716406369 39.098 > 49 50 K 0.89223017605128 0.00000000000000 0.15776716406369 39.098 > 49 51 K 0.39223017605128 0.00000000000000 0.65776716406369 39.098 > 49 52 K 0.89223017605128 0.00000000000000 0.65776716406369 39.098 > 49 53 K 0.10776982394872 0.00000000000000 0.34223283593631 39.098 > 53 54 K 0.60776982394872 0.00000000000000 0.34223283593631 39.098 > 53 55 K 0.10776982394872 0.00000000000000 0.84223283593631 39.098 > 53 56 K 0.60776982394872 0.00000000000000 0.84223283593631 39.098 > 53 57 K 0.37500000000000 0.25000000000000 0.00000000000000 39.098 > 57 58 K 0.87500000000000 0.25000000000000 0.00000000000000 39.098 > 57 59 K 0.37500000000000 0.25000000000000 0.50000000000000 39.098 > 57 60 K 0.87500000000000 0.25000000000000 0.50000000000000 39.098 > 57 61 K 0.37500000000000 0.75000000000000 0.00000000000000 39.098 > 61 62 K 0.87500000000000 0.75000000000000 0.00000000000000 39.098 > 61 63 K 0.37500000000000 0.75000000000000 0.50000000000000 39.098 > 61 64 K 0.87500000000000 0.75000000000000 0.50000000000000 39.098 > 61 65 K 0.25000000000000 0.16661338863313 0.25000000000000 39.098 > 65 66 K 0.75000000000000 0.16661338863313 0.25000000000000 39.098 > 65 67 K 0.25000000000000 0.16661338863313 0.75000000000000 39.098 > 65 68 K 0.75000000000000 0.16661338863313 0.75000000000000 39.098 > 65 69 K 0.25000000000000 0.83338661136687 0.25000000000000 39.098 > 69 70 K 0.75000000000000 0.83338661136687 0.25000000000000 39.098 > 69 71 K 0.25000000000000 0.83338661136687 0.75000000000000 39.098 > 69 72 K 0.75000000000000 0.83338661136687 0.75000000000000 39.098 > 69 73 K 0.14223017605128 0.50000000000000 0.15776716406369 39.098 > 49 74 K 0.64223017605128 0.50000000000000 0.15776716406369 39.098 > 49 75 K 0.14223017605128 0.50000000000000 0.65776716406369 39.098 > 49 76 K 0.64223017605128 0.50000000000000 0.65776716406369 39.098 > 49 77 K 0.35776982394872 0.50000000000000 0.34223283593631 39.098 > 53 78 K 0.85776982394872 0.50000000000000 0.34223283593631 39.098 > 53 79 K 0.35776982394872 0.50000000000000 0.84223283593631 39.098 > 53 80 K 0.85776982394872 0.50000000000000 0.84223283593631 39.098 > 53 81 K 0.12500000000000 0.75000000000000 0.00000000000000 39.098 > 57 82 K 0.62500000000000 0.75000000000000 0.00000000000000 39.098 > 57 83 K 0.12500000000000 0.75000000000000 0.50000000000000 39.098 > 57 84 K 0.62500000000000 0.75000000000000 0.50000000000000 39.098 > 57 85 K 0.12500000000000 0.25000000000000 0.00000000000000 39.098 > 61 86 K 0.62500000000000 0.25000000000000 0.00000000000000 39.098 > 61 87 K 0.12500000000000 0.25000000000000 0.50000000000000 39.098 > 61 88 K 0.62500000000000 0.25000000000000 0.50000000000000 39.098 > 61 89 K 0.00000000000000 0.66661338863313 0.25000000000000 39.098 > 65 90 K 0.50000000000000 0.66661338863313 0.25000000000000 39.098 > 65 91 K 0.00000000000000 0.66661338863313 0.75000000000000 39.098 > 65 92 K 0.50000000000000 0.66661338863313 0.75000000000000 39.098 > 65 93 K 0.00000000000000 0.33338661136687 0.25000000000000 39.098 > 69 94 K 0.50000000000000 0.33338661136687 0.25000000000000 39.098 > 69 95 K 0.00000000000000 0.33338661136687 0.75000000000000 39.098 > 69 96 K 0.50000000000000 0.33338661136687 0.75000000000000 39.098 > 69 97 Ge 0.05929102114604 0.00000000000000 0.07802882176637 72.640 > 97 98 Ge 0.55929102114604 0.00000000000000 0.07802882176637 72.640 > 97 99 Ge 0.05929102114604 0.00000000000000 0.57802882176637 72.640 > 97 100 Ge 0.55929102114604 0.00000000000000 0.57802882176637 72.640 > 97 101 Ge 0.44070897885396 0.00000000000000 0.42197117823363 72.640 > 101 102 Ge 0.94070897885396 0.00000000000000 0.42197117823363 72.640 > 101 103 Ge 0.44070897885396 0.00000000000000 0.92197117823363 72.640 > 101 104 Ge 0.94070897885396 0.00000000000000 0.92197117823363 72.640 > 101 105 Ge 0.30929102114604 0.50000000000000 0.07802882176637 72.640 > 97 106 Ge 0.80929102114604 0.50000000000000 0.07802882176637 72.640 > 97 107 Ge 0.30929102114604 0.50000000000000 0.57802882176637 72.640 > 97 108 Ge 0.80929102114604 0.50000000000000 0.57802882176637 72.640 > 97 109 Ge 0.19070897885396 0.50000000000000 0.42197117823363 72.640 > 101 110 Ge 0.69070897885396 0.50000000000000 0.42197117823363 72.640 > 101 111 Ge 0.19070897885396 0.50000000000000 0.92197117823363 72.640 > 101 112 Ge 0.69070897885396 0.50000000000000 0.92197117823363 72.640 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8898174 0.0000000 0.0046103 0.0000000 3.8487466 0.0000000 0.0046078 0.0000000 3.9865364 -------------------------- Born effective charges -------------------------- 1 S -1.5096272 0.3197991 0.1394804 0.3499861 -2.1666145 -0.5525674 0.2793629 -0.7362464 -1.9236449 2 S -1.5096272 -0.3197991 0.1394804 -0.3499861 -2.1666145 0.5525674 0.2793629 0.7362464 -1.9236449 3 S -2.6875812 0.0000000 -0.2152983 0.0000000 -1.3598622 0.0000000 -0.3004507 0.0000000 -1.4991759 4 S -2.6875812 0.0000000 -0.2152983 0.0000000 -1.3598622 0.0000000 -0.3004507 0.0000000 -1.4991759 5 S -1.5096272 0.3197991 0.1394804 0.3499861 -2.1666145 -0.5525674 0.2793629 -0.7362464 -1.9236449 6 S -1.5096272 -0.3197991 0.1394804 -0.3499861 -2.1666145 0.5525674 0.2793629 0.7362464 -1.9236449 7 K 1.4006880 0.0000000 -0.0978778 0.0000000 0.8819963 0.0000000 -0.1175616 0.0000000 1.3502151 8 K 1.4006880 0.0000000 -0.0978778 0.0000000 0.8819963 0.0000000 -0.1175616 0.0000000 1.3502151 9 K 1.0717872 -0.3537597 0.0057387 -0.3956781 1.3663947 0.0219133 -0.0084338 0.0890712 0.9302787 10 K 1.0717872 0.3537597 0.0057387 0.3956781 1.3663947 -0.0219133 -0.0084338 -0.0890712 0.9302787 11 K 1.0785677 0.0000000 0.1808825 0.0000000 1.2732627 0.0000000 0.1091442 0.0000000 1.3017379 12 K 1.0785677 0.0000000 0.1808825 0.0000000 1.2732627 0.0000000 0.1091442 0.0000000 1.3017379 13 Ge 2.1557927 0.0000000 -0.1524059 0.0000000 2.1714375 0.0000000 -0.2414241 0.0000000 1.7642340 14 Ge 2.1557927 0.0000000 -0.1524059 0.0000000 2.1714375 0.0000000 -0.2414241 0.0000000 1.7642340 ---------------------------------------------------------------------------- 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 9, 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 57, 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (zx) 0.00000003 (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 00:37:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:37:47]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.340485906190039 -6.188015930000000 0.000000000000000 b 4.340485906190039 6.188015930000000 0.000000000000000 c -3.620593016960690 0.000000000000000 7.309048244464285 Atomic positions (fractional): 1 S 0.05001783631326 0.75538034549299 0.69874011118748 32.065 2 S 0.24461965450701 0.94998216368675 0.30125988881252 32.065 3 S 0.36883244590610 0.36883244590610 0.14002311101989 32.065 4 S 0.63116755409390 0.63116755409390 0.85997688898011 32.065 5 S 0.94998216368675 0.24461965450701 0.30125988881252 32.065 6 S 0.75538034549299 0.05001783631326 0.69874011118748 32.065 7 K 0.78446035210256 0.78446035210256 0.31553432812738 39.098 8 K 0.21553964789744 0.21553964789744 0.68446567187262 39.098 9 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 10 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 11 K 0.33338661136687 0.66661338863313 0.50000000000000 39.098 12 K 0.66661338863313 0.33338661136687 0.50000000000000 39.098 13 Ge 0.11858204229207 0.11858204229207 0.15605764353274 72.640 14 Ge 0.88141795770793 0.88141795770793 0.84394235646726 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.361943624760155 0.000000000000000 0.000000000000000 b 0.000000000000000 12.376031859999999 0.000000000000000 c -7.241186033921380 0.000000000000000 14.618096488928570 Atomic positions (fractional): 1 S 0.20134954545156 0.35268125458987 0.34937005559374 32.065 > 1 2 S 0.70134954545156 0.35268125458987 0.34937005559374 32.065 > 1 3 S 0.20134954545156 0.35268125458987 0.84937005559374 32.065 > 1 4 S 0.70134954545156 0.35268125458987 0.84937005559374 32.065 > 1 5 S 0.29865045454844 0.35268125458987 0.15062994440626 32.065 > 5 6 S 0.79865045454844 0.35268125458987 0.15062994440626 32.065 > 5 7 S 0.29865045454844 0.35268125458987 0.65062994440626 32.065 > 5 8 S 0.79865045454844 0.35268125458987 0.65062994440626 32.065 > 5 9 S 0.18441622295305 0.00000000000000 0.07001155550994 32.065 > 9 10 S 0.68441622295305 0.00000000000000 0.07001155550994 32.065 > 9 11 S 0.18441622295305 0.00000000000000 0.57001155550994 32.065 > 9 12 S 0.68441622295305 0.00000000000000 0.57001155550994 32.065 > 9 13 S 0.31558377704695 0.00000000000000 0.42998844449006 32.065 > 13 14 S 0.81558377704695 0.00000000000000 0.42998844449006 32.065 > 13 15 S 0.31558377704695 0.00000000000000 0.92998844449006 32.065 > 13 16 S 0.81558377704695 0.00000000000000 0.92998844449006 32.065 > 13 17 S 0.29865045454844 0.64731874541013 0.15062994440626 32.065 > 17 18 S 0.79865045454844 0.64731874541013 0.15062994440626 32.065 > 17 19 S 0.29865045454844 0.64731874541013 0.65062994440626 32.065 > 17 20 S 0.79865045454844 0.64731874541013 0.65062994440626 32.065 > 17 21 S 0.20134954545156 0.64731874541013 0.34937005559374 32.065 > 21 22 S 0.70134954545156 0.64731874541013 0.34937005559374 32.065 > 21 23 S 0.20134954545156 0.64731874541013 0.84937005559374 32.065 > 21 24 S 0.70134954545156 0.64731874541013 0.84937005559374 32.065 > 21 25 S 0.45134954545156 0.85268125458987 0.34937005559374 32.065 > 1 26 S 0.95134954545156 0.85268125458987 0.34937005559374 32.065 > 1 27 S 0.45134954545156 0.85268125458987 0.84937005559374 32.065 > 1 28 S 0.95134954545156 0.85268125458987 0.84937005559374 32.065 > 1 29 S 0.04865045454844 0.85268125458987 0.15062994440626 32.065 > 5 30 S 0.54865045454844 0.85268125458987 0.15062994440626 32.065 > 5 31 S 0.04865045454844 0.85268125458987 0.65062994440626 32.065 > 5 32 S 0.54865045454844 0.85268125458987 0.65062994440626 32.065 > 5 33 S 0.43441622295305 0.50000000000000 0.07001155550994 32.065 > 9 34 S 0.93441622295305 0.50000000000000 0.07001155550994 32.065 > 9 35 S 0.43441622295305 0.50000000000000 0.57001155550994 32.065 > 9 36 S 0.93441622295305 0.50000000000000 0.57001155550994 32.065 > 9 37 S 0.06558377704695 0.50000000000000 0.42998844449006 32.065 > 13 38 S 0.56558377704695 0.50000000000000 0.42998844449006 32.065 > 13 39 S 0.06558377704695 0.50000000000000 0.92998844449006 32.065 > 13 40 S 0.56558377704695 0.50000000000000 0.92998844449006 32.065 > 13 41 S 0.04865045454844 0.14731874541013 0.15062994440626 32.065 > 17 42 S 0.54865045454844 0.14731874541013 0.15062994440626 32.065 > 17 43 S 0.04865045454844 0.14731874541013 0.65062994440626 32.065 > 17 44 S 0.54865045454844 0.14731874541013 0.65062994440626 32.065 > 17 45 S 0.45134954545156 0.14731874541013 0.34937005559374 32.065 > 21 46 S 0.95134954545156 0.14731874541013 0.34937005559374 32.065 > 21 47 S 0.45134954545156 0.14731874541013 0.84937005559374 32.065 > 21 48 S 0.95134954545156 0.14731874541013 0.84937005559374 32.065 > 21 49 K 0.39223017605128 0.00000000000000 0.15776716406369 39.098 > 49 50 K 0.89223017605128 0.00000000000000 0.15776716406369 39.098 > 49 51 K 0.39223017605128 0.00000000000000 0.65776716406369 39.098 > 49 52 K 0.89223017605128 0.00000000000000 0.65776716406369 39.098 > 49 53 K 0.10776982394872 0.00000000000000 0.34223283593631 39.098 > 53 54 K 0.60776982394872 0.00000000000000 0.34223283593631 39.098 > 53 55 K 0.10776982394872 0.00000000000000 0.84223283593631 39.098 > 53 56 K 0.60776982394872 0.00000000000000 0.84223283593631 39.098 > 53 57 K 0.37500000000000 0.25000000000000 0.00000000000000 39.098 > 57 58 K 0.87500000000000 0.25000000000000 0.00000000000000 39.098 > 57 59 K 0.37500000000000 0.25000000000000 0.50000000000000 39.098 > 57 60 K 0.87500000000000 0.25000000000000 0.50000000000000 39.098 > 57 61 K 0.37500000000000 0.75000000000000 0.00000000000000 39.098 > 61 62 K 0.87500000000000 0.75000000000000 0.00000000000000 39.098 > 61 63 K 0.37500000000000 0.75000000000000 0.50000000000000 39.098 > 61 64 K 0.87500000000000 0.75000000000000 0.50000000000000 39.098 > 61 65 K 0.25000000000000 0.16661338863313 0.25000000000000 39.098 > 65 66 K 0.75000000000000 0.16661338863313 0.25000000000000 39.098 > 65 67 K 0.25000000000000 0.16661338863313 0.75000000000000 39.098 > 65 68 K 0.75000000000000 0.16661338863313 0.75000000000000 39.098 > 65 69 K 0.25000000000000 0.83338661136687 0.25000000000000 39.098 > 69 70 K 0.75000000000000 0.83338661136687 0.25000000000000 39.098 > 69 71 K 0.25000000000000 0.83338661136687 0.75000000000000 39.098 > 69 72 K 0.75000000000000 0.83338661136687 0.75000000000000 39.098 > 69 73 K 0.14223017605128 0.50000000000000 0.15776716406369 39.098 > 49 74 K 0.64223017605128 0.50000000000000 0.15776716406369 39.098 > 49 75 K 0.14223017605128 0.50000000000000 0.65776716406369 39.098 > 49 76 K 0.64223017605128 0.50000000000000 0.65776716406369 39.098 > 49 77 K 0.35776982394872 0.50000000000000 0.34223283593631 39.098 > 53 78 K 0.85776982394872 0.50000000000000 0.34223283593631 39.098 > 53 79 K 0.35776982394872 0.50000000000000 0.84223283593631 39.098 > 53 80 K 0.85776982394872 0.50000000000000 0.84223283593631 39.098 > 53 81 K 0.12500000000000 0.75000000000000 0.00000000000000 39.098 > 57 82 K 0.62500000000000 0.75000000000000 0.00000000000000 39.098 > 57 83 K 0.12500000000000 0.75000000000000 0.50000000000000 39.098 > 57 84 K 0.62500000000000 0.75000000000000 0.50000000000000 39.098 > 57 85 K 0.12500000000000 0.25000000000000 0.00000000000000 39.098 > 61 86 K 0.62500000000000 0.25000000000000 0.00000000000000 39.098 > 61 87 K 0.12500000000000 0.25000000000000 0.50000000000000 39.098 > 61 88 K 0.62500000000000 0.25000000000000 0.50000000000000 39.098 > 61 89 K 0.00000000000000 0.66661338863313 0.25000000000000 39.098 > 65 90 K 0.50000000000000 0.66661338863313 0.25000000000000 39.098 > 65 91 K 0.00000000000000 0.66661338863313 0.75000000000000 39.098 > 65 92 K 0.50000000000000 0.66661338863313 0.75000000000000 39.098 > 65 93 K 0.00000000000000 0.33338661136687 0.25000000000000 39.098 > 69 94 K 0.50000000000000 0.33338661136687 0.25000000000000 39.098 > 69 95 K 0.00000000000000 0.33338661136687 0.75000000000000 39.098 > 69 96 K 0.50000000000000 0.33338661136687 0.75000000000000 39.098 > 69 97 Ge 0.05929102114604 0.00000000000000 0.07802882176637 72.640 > 97 98 Ge 0.55929102114604 0.00000000000000 0.07802882176637 72.640 > 97 99 Ge 0.05929102114604 0.00000000000000 0.57802882176637 72.640 > 97 100 Ge 0.55929102114604 0.00000000000000 0.57802882176637 72.640 > 97 101 Ge 0.44070897885396 0.00000000000000 0.42197117823363 72.640 > 101 102 Ge 0.94070897885396 0.00000000000000 0.42197117823363 72.640 > 101 103 Ge 0.44070897885396 0.00000000000000 0.92197117823363 72.640 > 101 104 Ge 0.94070897885396 0.00000000000000 0.92197117823363 72.640 > 101 105 Ge 0.30929102114604 0.50000000000000 0.07802882176637 72.640 > 97 106 Ge 0.80929102114604 0.50000000000000 0.07802882176637 72.640 > 97 107 Ge 0.30929102114604 0.50000000000000 0.57802882176637 72.640 > 97 108 Ge 0.80929102114604 0.50000000000000 0.57802882176637 72.640 > 97 109 Ge 0.19070897885396 0.50000000000000 0.42197117823363 72.640 > 101 110 Ge 0.69070897885396 0.50000000000000 0.42197117823363 72.640 > 101 111 Ge 0.19070897885396 0.50000000000000 0.92197117823363 72.640 > 101 112 Ge 0.69070897885396 0.50000000000000 0.92197117823363 72.640 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8898174 0.0000000 0.0046103 0.0000000 3.8487466 0.0000000 0.0046078 0.0000000 3.9865364 -------------------------- Born effective charges -------------------------- 1 S -1.5096272 0.3197991 0.1394804 0.3499861 -2.1666145 -0.5525674 0.2793629 -0.7362464 -1.9236449 2 S -1.5096272 -0.3197991 0.1394804 -0.3499861 -2.1666145 0.5525674 0.2793629 0.7362464 -1.9236449 3 S -2.6875812 0.0000000 -0.2152983 0.0000000 -1.3598622 0.0000000 -0.3004507 0.0000000 -1.4991759 4 S -2.6875812 0.0000000 -0.2152983 0.0000000 -1.3598622 0.0000000 -0.3004507 0.0000000 -1.4991759 5 S -1.5096272 0.3197991 0.1394804 0.3499861 -2.1666145 -0.5525674 0.2793629 -0.7362464 -1.9236449 6 S -1.5096272 -0.3197991 0.1394804 -0.3499861 -2.1666145 0.5525674 0.2793629 0.7362464 -1.9236449 7 K 1.4006880 0.0000000 -0.0978778 0.0000000 0.8819963 0.0000000 -0.1175616 0.0000000 1.3502151 8 K 1.4006880 0.0000000 -0.0978778 0.0000000 0.8819963 0.0000000 -0.1175616 0.0000000 1.3502151 9 K 1.0717872 -0.3537597 0.0057387 -0.3956781 1.3663947 0.0219133 -0.0084338 0.0890712 0.9302787 10 K 1.0717872 0.3537597 0.0057387 0.3956781 1.3663947 -0.0219133 -0.0084338 -0.0890712 0.9302787 11 K 1.0785677 0.0000000 0.1808825 0.0000000 1.2732627 0.0000000 0.1091442 0.0000000 1.3017379 12 K 1.0785677 0.0000000 0.1808825 0.0000000 1.2732627 0.0000000 0.1091442 0.0000000 1.3017379 13 Ge 2.1557927 0.0000000 -0.1524059 0.0000000 2.1714375 0.0000000 -0.2414241 0.0000000 1.7642340 14 Ge 2.1557927 0.0000000 -0.1524059 0.0000000 2.1714375 0.0000000 -0.2414241 0.0000000 1.7642340 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) Max drift of fc2: 0.00000000 (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 ... [ 8 8 7 ] 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: 0.57, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 129 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 1.556 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.507 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 4.056 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 4.625 ( 0.000 0.000 0.000) 0.000 5.016 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 5.810 ( 0.000 0.000 0.000) 0.000 5.940 ( 0.000 0.000 0.000) 0.000 7.721 ( 0.000 0.000 0.000) 0.000 9.997 ( 0.000 0.000 0.000) 0.000 10.855 ( 0.000 0.000 0.000) 0.000 10.975 ( 0.000 0.000 0.000) 0.000 11.012 ( 0.000 0.000 0.000) 0.000 11.183 ( 0.000 0.000 0.000) 0.000 11.532 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 10.561 -19.046 9.669) 23.828 0.461 ( 17.993 -14.168 6.176) 23.720 0.818 ( 34.412 -11.689 24.659) 43.919 1.595 ( 9.290 4.512 -6.048) 11.968 1.765 ( -4.420 -3.185 3.929) 6.717 2.020 ( 1.768 -4.908 -3.770) 6.436 2.447 ( -0.139 5.042 -2.869) 5.803 2.538 ( 0.795 2.090 0.773) 2.366 2.662 ( -5.125 1.868 -5.083) 7.455 2.707 ( -5.791 0.519 -7.354) 9.375 2.833 ( -4.925 4.643 0.239) 6.772 2.940 ( -0.890 2.445 1.658) 3.085 2.987 ( -6.218 -6.988 -8.108) 12.379 3.046 ( -2.482 -1.344 0.756) 2.922 3.061 ( -2.467 2.960 -0.780) 3.931 3.136 ( -8.279 -3.407 8.485) 12.335 3.175 ( -3.855 -0.992 -3.150) 5.076 3.309 ( 0.906 6.136 -0.783) 6.252 3.396 ( 0.181 -4.407 3.568) 5.673 3.457 ( 3.595 -6.818 -7.103) 10.482 3.686 ( 3.524 4.472 -0.337) 5.704 3.791 ( 6.389 -2.617 -2.255) 7.263 3.953 ( 3.598 -3.138 8.137) 9.434 3.997 ( 2.734 -2.860 -3.032) 4.985 4.148 ( 0.754 0.742 8.995) 9.057 4.458 ( 0.276 3.970 -7.805) 8.761 4.554 ( -2.771 1.021 -1.417) 3.275 4.743 ( -10.846 -15.946 -4.945) 19.909 4.940 ( -2.832 -0.917 -5.461) 6.220 5.246 ( 4.240 2.379 3.976) 6.281 5.331 ( -4.487 -0.565 -4.368) 6.288 5.579 ( 5.518 -0.111 2.835) 6.205 5.757 ( -0.299 -0.390 1.606) 1.679 5.826 ( 1.770 0.199 0.360) 1.818 6.667 ( -0.719 29.000 32.848) 43.823 7.715 ( -0.227 -0.041 -0.957) 0.984 10.113 ( -2.610 6.558 14.553) 16.174 10.894 ( 3.966 9.563 -5.802) 11.868 11.008 ( 0.335 -0.799 1.938) 2.123 11.098 ( 11.762 4.006 -3.367) 12.874 11.531 ( -0.206 -0.091 0.071) 0.236 11.681 ( -7.448 -30.320 -28.833) 42.498 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 8.005 -16.431 7.731) 19.845 0.877 ( 15.025 -11.924 5.900) 20.068 1.490 ( 20.930 -0.788 15.087) 25.813 1.700 ( 11.034 0.515 3.574) 11.610 1.806 ( 4.560 -9.453 4.732) 11.513 2.059 ( -1.372 -7.188 -4.597) 8.642 2.358 ( -0.287 7.208 -5.378) 8.998 2.482 ( -4.410 4.646 -1.795) 6.652 2.543 ( -2.268 3.427 -7.805) 8.821 2.553 ( -3.517 -0.008 1.780) 3.942 2.733 ( -8.365 2.599 3.044) 9.273 2.870 ( -3.277 3.653 -2.121) 5.346 2.921 ( -1.377 0.944 0.561) 1.761 2.987 ( -0.832 -0.557 -6.504) 6.580 3.015 ( -6.764 -3.336 -0.031) 7.542 3.079 ( -1.732 1.393 -0.621) 2.308 3.196 ( -1.933 -3.555 5.537) 6.858 3.269 ( 2.309 3.113 -1.513) 4.161 3.490 ( 2.419 -4.625 3.863) 6.494 3.521 ( 3.041 -3.308 -5.513) 7.112 3.627 ( -1.068 3.079 -2.712) 4.239 3.864 ( -0.161 -0.856 -3.549) 3.654 3.969 ( -2.905 -1.689 -2.132) 3.980 4.118 ( 4.395 2.572 6.407) 8.184 4.200 ( -1.526 -1.771 2.288) 3.271 4.345 ( -3.651 3.398 -8.074) 9.491 4.544 ( 4.135 -1.823 4.325) 6.256 4.698 ( -5.707 -4.649 -2.749) 7.858 4.922 ( 0.798 -2.509 -1.601) 3.081 5.233 ( -4.156 -1.958 -4.852) 6.682 5.270 ( -0.465 4.424 3.545) 5.688 5.702 ( 6.299 -0.154 3.359) 7.140 5.769 ( 0.067 0.210 1.870) 1.883 5.861 ( 2.753 -0.512 0.965) 2.962 6.569 ( -3.878 15.452 12.412) 20.195 7.704 ( -0.259 -0.112 -1.246) 1.277 10.114 ( -1.087 2.122 5.337) 5.846 10.825 ( 1.169 4.933 -3.385) 6.096 11.042 ( 0.599 -0.917 2.976) 3.171 11.195 ( 7.886 1.081 -2.379) 8.308 11.529 ( -0.337 -0.154 0.172) 0.409 11.673 ( -4.268 -13.415 -11.454) 18.149 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 3.731 -9.295 3.688) 10.673 1.207 ( 9.684 -8.660 6.314) 14.444 1.661 ( 7.757 5.841 -2.369) 9.995 1.787 ( -0.113 -5.971 4.978) 7.775 2.057 ( -1.053 -5.238 -3.696) 6.496 2.183 ( 0.705 1.562 -0.232) 1.729 2.269 ( 8.811 -0.916 4.993) 10.169 2.379 ( -1.240 1.925 0.717) 2.399 2.458 ( 1.027 5.888 1.042) 6.067 2.592 ( -3.565 1.928 3.038) 5.065 2.616 ( 2.653 -4.947 -0.531) 5.639 2.797 ( -3.020 2.419 0.671) 3.927 2.891 ( -1.409 2.042 1.713) 3.015 2.945 ( -3.270 -2.468 -2.164) 4.633 2.967 ( 0.473 0.230 -4.356) 4.387 3.050 ( -0.321 -0.385 -0.474) 0.690 3.232 ( -1.840 -2.788 2.295) 4.053 3.298 ( 2.768 -0.441 1.568) 3.211 3.482 ( -4.311 -0.802 -8.908) 9.929 3.550 ( 3.320 4.879 -3.559) 6.891 3.628 ( 2.466 -3.174 4.353) 5.925 3.822 ( 0.565 -2.784 -3.139) 4.234 3.935 ( -5.040 3.915 3.144) 7.115 4.046 ( -6.218 0.572 -5.823) 8.538 4.147 ( -7.237 2.157 -1.939) 7.797 4.264 ( 2.429 2.203 -0.143) 3.282 4.627 ( -3.301 -1.567 -0.356) 3.671 4.756 ( 9.878 -3.515 5.378) 11.784 4.960 ( 0.337 -2.773 0.744) 2.890 5.155 ( -4.159 0.242 -5.386) 6.809 5.248 ( -0.151 1.700 2.744) 3.232 5.744 ( -0.695 0.650 0.824) 1.260 5.805 ( 2.723 0.492 0.784) 2.876 5.946 ( 4.665 -2.619 2.101) 5.748 6.434 ( -4.630 9.609 4.321) 11.509 7.695 ( -0.133 -0.118 -0.800) 0.820 10.115 ( -0.439 0.610 1.963) 2.102 10.781 ( 0.430 2.341 -1.795) 2.982 11.078 ( 0.498 -0.525 2.340) 2.449 11.262 ( 4.283 0.335 -1.836) 4.672 11.528 ( -0.256 -0.113 0.175) 0.330 11.668 ( -2.254 -5.976 -4.408) 7.760 ======================= Grid point 4 (5/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.000 -0.000 0.000) 0.000 1.370 ( 0.000 -0.000 0.000) 0.000 1.640 ( 0.000 0.000 -0.000) 0.000 1.881 ( 0.000 -0.000 0.000) 0.000 2.069 ( 0.000 -0.000 0.000) 0.000 2.103 ( 0.000 -0.000 0.000) 0.000 2.296 ( 0.000 -0.000 -0.000) 0.000 2.346 ( -0.000 0.000 0.000) 0.000 2.545 ( 0.000 -0.000 0.000) 0.000 2.566 ( 0.000 0.000 -0.000) 0.000 2.736 ( -0.000 -0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 -0.000 -0.000) 0.000 2.919 ( 0.000 -0.000 0.000) 0.000 2.956 ( 0.000 -0.000 0.000) 0.000 3.059 ( 0.000 -0.000 0.000) 0.000 3.233 ( 0.000 -0.000 -0.000) 0.000 3.346 ( 0.000 -0.000 0.000) 0.000 3.393 ( 0.000 -0.000 0.000) 0.000 3.535 ( 0.000 -0.000 0.000) 0.000 3.732 ( -0.000 0.000 0.000) 0.000 3.742 ( 0.000 -0.000 0.000) 0.000 3.918 ( 0.000 -0.000 0.000) 0.000 4.002 ( -0.000 0.000 0.000) 0.000 4.016 ( 0.000 -0.000 -0.000) 0.000 4.275 ( 0.000 -0.000 0.000) 0.000 4.607 ( 0.000 -0.000 0.000) 0.000 4.911 ( 0.000 -0.000 0.000) 0.000 4.991 ( -0.000 0.000 -0.000) 0.000 5.053 ( 0.000 -0.000 0.000) 0.000 5.257 ( 0.000 -0.000 0.000) 0.000 5.735 ( 0.000 -0.000 0.000) 0.000 5.823 ( 0.000 -0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.351 ( 0.000 -0.000 0.000) 0.000 7.692 ( 0.000 -0.000 0.000) 0.000 10.116 ( 0.000 -0.000 0.000) 0.000 10.766 ( 0.000 -0.000 0.000) 0.000 11.094 ( 0.000 -0.000 -0.000) 0.000 11.284 ( 0.000 -0.000 0.000) 0.000 11.527 ( 0.000 -0.000 -0.000) 0.000 11.666 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/129) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 13.203 -0.000 11.547) 17.540 0.741 ( 18.922 -0.000 8.930) 20.923 1.462 ( 32.327 -0.000 22.768) 39.540 1.708 ( -5.922 0.000 6.595) 8.864 1.734 ( 13.436 -0.000 -3.486) 13.881 1.971 ( -0.461 0.000 -6.134) 6.151 2.429 ( -2.241 0.000 -4.504) 5.031 2.528 ( -6.570 0.000 -3.191) 7.304 2.531 ( -4.793 0.000 -5.645) 7.405 2.601 ( -1.688 0.000 -0.941) 1.932 2.781 ( -8.596 0.000 2.563) 8.970 2.863 ( 1.326 -0.000 -2.589) 2.909 2.934 ( -7.007 0.000 1.474) 7.160 2.994 ( 0.462 -0.000 -7.316) 7.331 3.000 ( -1.869 0.000 1.421) 2.348 3.108 ( -3.942 0.000 -2.070) 4.452 3.117 ( -3.277 0.000 6.516) 7.294 3.372 ( 2.577 -0.000 -5.095) 5.709 3.375 ( 0.915 -0.000 -1.026) 1.375 3.459 ( 3.358 -0.000 5.817) 6.716 3.708 ( 1.137 -0.000 -8.396) 8.473 3.850 ( 5.062 -0.000 3.953) 6.423 3.930 ( -5.013 0.000 -4.341) 6.631 4.165 ( -3.607 0.000 2.702) 4.507 4.167 ( 9.046 -0.000 9.879) 13.395 4.384 ( -2.600 0.000 -9.719) 10.061 4.552 ( -2.392 0.000 0.472) 2.438 4.608 ( 4.237 -0.000 -2.337) 4.839 4.903 ( -0.907 0.000 1.818) 2.032 5.207 ( -5.335 0.000 -6.895) 8.718 5.320 ( 0.128 -0.000 3.671) 3.673 5.702 ( 7.194 -0.000 3.856) 8.162 5.765 ( -0.496 0.000 1.609) 1.683 5.856 ( 1.681 -0.000 0.733) 1.834 6.768 ( -14.383 0.000 12.623) 19.136 7.705 ( -0.265 0.000 -0.919) 0.957 10.144 ( -5.598 0.000 8.472) 10.154 10.953 ( -0.746 0.000 -3.853) 3.924 10.999 ( -0.864 0.000 3.690) 3.790 11.317 ( 5.642 -0.000 3.834) 6.822 11.349 ( 10.693 -0.000 -22.943) 25.312 11.531 ( 0.157 -0.000 -0.297) 0.336 ======================= Grid point 11 (7/129) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 8.579 -6.868 10.616) 15.280 1.071 ( 15.054 -3.880 7.369) 17.203 1.693 ( -3.958 -2.657 5.143) 7.013 1.771 ( 9.437 4.489 -2.117) 10.662 1.924 ( -3.097 -5.687 -4.365) 7.809 2.147 ( 25.204 -2.175 16.280) 30.083 2.300 ( -5.821 1.182 -4.979) 7.751 2.399 ( -4.621 0.655 -6.712) 8.175 2.548 ( 5.506 -1.378 2.367) 6.150 2.575 ( -2.692 2.871 3.986) 5.602 2.646 ( -8.429 2.883 1.719) 9.073 2.861 ( -2.458 1.136 2.826) 3.914 2.881 ( -0.891 -1.984 -1.270) 2.519 2.965 ( 1.980 0.111 -6.608) 6.900 2.969 ( -0.958 5.314 1.065) 5.504 3.031 ( -3.216 -0.774 -1.444) 3.609 3.146 ( -1.939 -5.294 3.493) 6.632 3.327 ( 1.310 2.891 -2.058) 3.782 3.411 ( -1.362 -4.717 -5.261) 7.196 3.568 ( 4.416 -1.157 1.167) 4.712 3.659 ( 1.000 2.572 -2.223) 3.543 3.809 ( -1.444 1.578 -4.459) 4.946 3.957 ( 3.241 -1.241 3.182) 4.708 4.083 ( -7.817 2.083 -0.900) 8.140 4.179 ( -7.850 0.924 -4.679) 9.185 4.301 ( -1.334 0.901 -2.738) 3.177 4.627 ( 4.456 1.542 3.911) 6.127 4.686 ( 8.466 -3.207 3.056) 9.555 4.920 ( 0.051 -0.969 2.704) 2.873 5.108 ( -3.360 -2.482 -6.167) 7.448 5.308 ( -2.658 2.310 1.997) 4.048 5.753 ( -1.501 0.330 0.279) 1.562 5.813 ( 4.289 0.199 1.473) 4.539 5.896 ( 2.377 -1.707 1.376) 3.233 6.598 ( -12.198 5.095 4.033) 13.820 7.697 ( 0.222 0.204 -0.747) 0.806 10.123 ( -3.002 0.172 3.917) 4.938 10.876 ( 0.460 5.975 -3.488) 6.934 11.034 ( -1.131 -3.670 2.078) 4.366 11.307 ( 6.197 4.193 -6.202) 9.719 11.492 ( 2.937 -7.794 0.088) 8.330 11.536 ( 1.114 -1.111 -1.174) 1.964 ======================= Grid point 12 (8/129) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 3.022 -4.890 8.515) 10.273 1.333 ( 9.537 -2.442 5.260) 11.162 1.637 ( -6.697 -0.567 -4.762) 8.237 1.858 ( 6.336 -2.404 2.829) 7.343 1.967 ( 1.858 -5.206 -0.410) 5.543 2.150 ( -5.407 4.121 -1.523) 6.967 2.292 ( -3.603 -1.427 -5.436) 6.676 2.464 ( -3.872 7.886 1.984) 9.006 2.522 ( 6.445 -2.112 3.375) 7.575 2.560 ( -1.755 0.622 1.580) 2.442 2.707 ( 3.273 -1.049 4.068) 5.325 2.842 ( 2.232 3.825 1.799) 4.780 2.891 ( 0.536 -0.571 0.834) 1.144 2.897 ( -1.923 2.732 -1.338) 3.598 2.958 ( 1.888 -0.159 -1.059) 2.170 3.029 ( 0.231 -1.619 1.584) 2.277 3.200 ( 0.756 -3.576 -0.036) 3.656 3.318 ( 0.548 -1.173 0.226) 1.314 3.391 ( 0.162 -0.790 -0.683) 1.056 3.596 ( 2.404 0.189 -4.353) 4.976 3.629 ( 0.692 0.720 -3.262) 3.412 3.863 ( -10.904 4.525 -3.440) 12.297 3.896 ( 9.102 -1.019 5.459) 10.663 4.017 ( 1.769 1.840 -0.463) 2.594 4.029 ( -5.985 -0.150 -0.717) 6.030 4.263 ( -2.653 -0.987 -1.262) 3.099 4.651 ( 4.006 4.034 -0.579) 5.715 4.898 ( 7.326 -1.883 5.041) 9.090 4.945 ( -1.612 -1.856 4.041) 4.730 5.056 ( -1.607 -1.849 -6.078) 6.553 5.255 ( -2.731 0.490 0.939) 2.929 5.726 ( -1.961 -0.611 -0.307) 2.077 5.840 ( 0.950 1.443 -0.896) 1.946 5.971 ( 1.797 -3.631 0.692) 4.110 6.397 ( -10.396 3.213 -1.271) 10.955 7.697 ( 0.665 0.433 -0.225) 0.825 10.110 ( -1.891 -0.443 1.820) 2.662 10.813 ( 0.965 4.211 -2.500) 4.991 11.059 ( -1.255 -3.183 -0.031) 3.421 11.306 ( 1.810 1.850 -2.511) 3.606 11.530 ( 0.257 0.311 0.622) 0.742 11.624 ( 4.245 -3.605 1.622) 5.801 ======================= Grid point 13 (9/129) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -0.291 1.432 5.859) 6.039 1.376 ( -3.268 6.824 -5.703) 9.475 1.545 ( -6.303 -4.830 1.192) 8.030 1.922 ( 0.761 6.570 -5.253) 8.446 2.049 ( -0.027 -6.634 4.917) 8.257 2.086 ( -1.533 -2.914 3.413) 4.743 2.257 ( -1.077 -5.776 -3.929) 7.068 2.372 ( 0.929 5.298 2.403) 5.891 2.475 ( -6.988 1.881 -7.776) 10.622 2.573 ( 1.062 1.532 -2.117) 2.821 2.688 ( -0.272 3.302 1.203) 3.525 2.835 ( -1.621 1.737 -1.447) 2.782 2.886 ( 4.108 2.536 2.174) 5.294 2.921 ( 1.452 -1.906 0.485) 2.444 2.995 ( 1.692 1.037 3.280) 3.833 3.042 ( -1.864 0.577 1.016) 2.200 3.244 ( 2.190 -1.349 -0.987) 2.755 3.336 ( -1.078 1.562 -2.345) 3.016 3.436 ( -0.473 -1.660 3.167) 3.607 3.513 ( 0.453 0.056 4.689) 4.711 3.679 ( -0.505 0.356 -3.808) 3.858 3.825 ( 9.439 -3.143 3.607) 10.582 3.912 ( -2.349 2.509 -1.470) 3.738 4.054 ( 1.904 1.539 3.310) 4.117 4.094 ( 8.542 -2.892 1.437) 9.132 4.231 ( -2.267 -1.175 1.004) 2.743 4.680 ( 5.923 3.250 -0.160) 6.758 4.824 ( -8.657 3.334 -3.867) 10.051 5.017 ( 0.506 2.348 0.390) 2.433 5.083 ( 3.541 -4.722 3.077) 6.656 5.242 ( -0.395 -0.936 -0.342) 1.071 5.717 ( -0.552 -1.960 -0.478) 2.092 5.809 ( -2.029 1.085 -2.017) 3.060 5.979 ( -4.326 0.003 -1.665) 4.635 6.268 ( -4.663 -5.776 -4.507) 8.684 7.703 ( 0.770 0.627 0.451) 1.091 10.099 ( -1.708 -0.853 0.308) 1.934 10.784 ( 1.149 2.183 -0.835) 2.604 11.061 ( -1.156 -2.012 -1.926) 3.016 11.279 ( -2.121 1.609 0.132) 2.665 11.533 ( 0.407 0.529 0.311) 0.736 11.727 ( 5.199 0.285 3.923) 6.519 ======================= Grid point 14 (10/129) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -4.330 12.637 -1.436) 13.435 1.135 ( -9.752 10.785 -3.237) 14.896 1.452 ( -10.551 -2.447 -3.227) 11.301 1.755 ( -8.105 4.794 -12.355) 15.535 2.026 ( -6.729 7.963 3.545) 11.011 2.169 ( -1.714 -6.970 3.489) 7.981 2.258 ( 1.434 9.922 -1.208) 10.097 2.319 ( 0.564 -9.886 -1.913) 10.085 2.475 ( 5.160 -2.580 7.659) 9.588 2.550 ( 1.530 -0.246 -2.401) 2.858 2.706 ( 3.802 -0.783 -3.142) 4.994 2.809 ( 0.727 -1.093 -1.354) 1.886 2.924 ( 3.136 1.220 2.939) 4.468 2.988 ( -0.127 -0.724 3.236) 3.318 3.015 ( 2.414 -1.574 0.037) 2.882 3.047 ( 0.756 -1.984 2.960) 3.642 3.249 ( -2.778 1.763 -2.193) 3.955 3.266 ( 2.339 1.711 -2.767) 4.006 3.453 ( -2.926 -5.006 3.506) 6.776 3.600 ( 2.038 5.655 -2.773) 6.620 3.680 ( 5.173 2.919 7.026) 9.200 3.883 ( -0.127 0.850 3.036) 3.155 3.978 ( 4.905 -0.686 0.485) 4.976 4.068 ( -2.002 -1.942 -2.156) 3.526 4.225 ( 3.789 -0.362 2.494) 4.550 4.278 ( 4.559 -1.990 4.369) 6.621 4.618 ( -7.285 4.659 -4.888) 9.934 4.756 ( 8.500 1.680 -1.428) 8.782 5.001 ( -0.746 4.406 6.392) 7.799 5.162 ( 0.102 -5.529 -2.987) 6.285 5.265 ( 3.243 0.637 2.141) 3.938 5.712 ( -4.729 0.762 -3.240) 5.783 5.743 ( -1.081 -2.086 -1.613) 2.850 5.875 ( -4.668 0.812 -2.004) 5.145 6.273 ( -4.017 -12.651 -8.728) 15.886 7.712 ( 0.629 0.643 1.017) 1.357 10.079 ( -2.086 -1.229 -1.438) 2.816 10.789 ( 1.284 0.510 0.992) 1.701 11.043 ( -0.654 -0.561 -2.599) 2.738 11.212 ( -5.258 1.953 1.130) 5.722 11.535 ( 0.388 0.552 0.141) 0.689 11.830 ( 6.496 2.986 6.441) 9.622 ======================= Grid point 15 (11/129) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -12.487 15.134 -8.059) 21.211 0.848 ( -9.665 20.226 -1.009) 22.439 1.195 ( -10.155 18.720 -12.863) 24.880 1.501 ( -10.181 -2.750 -0.076) 10.547 1.891 ( 1.373 9.773 -1.179) 9.939 2.161 ( -0.855 6.597 1.354) 6.789 2.285 ( -1.250 -7.974 2.853) 8.561 2.433 ( 0.725 -9.608 1.003) 9.687 2.598 ( 3.592 -3.196 4.468) 6.563 2.671 ( 6.621 -2.854 5.793) 9.249 2.740 ( 2.400 -3.390 -4.234) 5.931 2.854 ( 3.154 -4.121 -2.134) 5.611 2.994 ( -1.426 -2.645 -0.013) 3.005 3.010 ( 2.753 -2.957 3.178) 5.140 3.052 ( -1.029 -1.855 0.906) 2.306 3.131 ( 3.392 -4.515 -1.308) 5.797 3.217 ( 3.183 3.183 2.575) 5.186 3.270 ( 2.518 1.992 -0.036) 3.210 3.474 ( -4.116 -3.260 3.243) 6.172 3.544 ( 4.570 8.112 -4.093) 10.171 3.708 ( -1.945 5.402 6.868) 8.951 3.845 ( -1.628 2.959 -4.003) 5.237 3.997 ( -0.391 0.745 -2.912) 3.031 4.076 ( -0.371 3.992 3.136) 5.090 4.171 ( -3.890 2.270 -4.548) 6.401 4.400 ( 1.923 -2.585 5.752) 6.593 4.547 ( 2.381 0.417 0.911) 2.583 4.861 ( 8.888 -1.242 -2.962) 9.451 5.046 ( 7.373 6.482 12.636) 16.002 5.172 ( -2.870 -4.367 -2.622) 5.846 5.337 ( 4.349 -0.292 1.034) 4.480 5.584 ( -5.779 0.456 -3.368) 6.704 5.757 ( 1.259 -0.737 -0.586) 1.572 5.820 ( -2.123 -0.372 -0.392) 2.191 6.213 ( -12.990 -14.756 -17.649) 26.419 7.721 ( 0.359 0.502 1.003) 1.178 10.041 ( -2.663 -1.304 -3.173) 4.343 10.821 ( 1.251 -0.550 2.307) 2.682 11.021 ( 0.258 0.784 -2.362) 2.503 11.110 ( -6.637 2.362 1.183) 7.144 11.535 ( 0.206 0.419 0.031) 0.468 11.956 ( 8.018 3.345 9.193) 12.648 ======================= Grid point 16 (12/129) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 0.000 19.728 -0.000) 19.728 0.517 ( 0.000 25.020 -0.000) 25.020 0.759 ( 0.000 34.933 -0.000) 34.933 1.487 ( -0.000 -5.660 0.000) 5.660 1.827 ( 0.000 5.369 -0.000) 5.369 2.082 ( 0.000 7.570 -0.000) 7.570 2.370 ( -0.000 -8.637 0.000) 8.637 2.512 ( -0.000 -3.995 0.000) 3.995 2.699 ( -0.000 -3.384 0.000) 3.384 2.760 ( -0.000 -2.955 0.000) 2.955 2.814 ( -0.000 -9.083 0.000) 9.083 2.920 ( -0.000 -0.348 0.000) 0.348 3.017 ( -0.000 -6.020 0.000) 6.020 3.053 ( 0.000 0.353 -0.000) 0.353 3.066 ( -0.000 -2.684 0.000) 2.684 3.203 ( -0.000 -6.642 0.000) 6.642 3.269 ( -0.000 -0.243 0.000) 0.243 3.295 ( -0.000 -0.073 0.000) 0.073 3.465 ( 0.000 10.660 -0.000) 10.660 3.492 ( -0.000 -3.218 0.000) 3.218 3.612 ( 0.000 7.947 -0.000) 7.947 3.836 ( 0.000 1.413 -0.000) 1.413 3.905 ( 0.000 4.599 -0.000) 4.599 4.018 ( 0.000 3.164 -0.000) 3.164 4.101 ( 0.000 4.386 -0.000) 4.386 4.468 ( -0.000 -2.290 0.000) 2.290 4.579 ( -0.000 -0.570 0.000) 0.570 4.976 ( -0.000 -3.849 0.000) 3.849 5.123 ( -0.000 -0.907 0.000) 0.907 5.265 ( -0.000 -1.483 0.000) 1.483 5.374 ( -0.000 -0.992 0.000) 0.992 5.530 ( 0.000 0.207 -0.000) 0.207 5.806 ( -0.000 -0.432 0.000) 0.432 5.850 ( -0.000 -0.836 0.000) 0.836 5.917 ( -0.000 -2.148 0.000) 2.148 7.724 ( 0.000 0.325 -0.000) 0.325 9.999 ( 0.000 0.270 -0.000) 0.270 10.850 ( -0.000 -0.452 0.000) 0.452 10.998 ( 0.000 2.126 -0.000) 2.126 11.030 ( 0.000 1.656 -0.000) 1.656 11.534 ( 0.000 0.204 -0.000) 0.204 12.088 ( -0.000 -1.777 0.000) 1.777 ======================= Grid point 19 (13/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 4.553 -0.000 12.085) 12.915 1.305 ( 12.439 -0.000 6.316) 13.951 1.626 ( -6.283 0.000 -4.086) 7.495 1.819 ( -1.455 0.000 3.798) 4.068 1.924 ( 9.120 -0.000 -2.956) 9.587 2.187 ( -5.790 0.000 -2.456) 6.289 2.291 ( -4.826 0.000 -3.974) 6.251 2.506 ( 8.205 -0.000 4.145) 9.193 2.545 ( -7.326 0.000 -0.123) 7.327 2.566 ( -2.485 0.000 6.374) 6.841 2.688 ( 9.790 -0.000 2.494) 10.103 2.852 ( -2.063 0.000 -1.154) 2.363 2.891 ( -2.221 0.000 5.267) 5.716 2.950 ( 0.309 -0.000 1.203) 1.242 2.963 ( 1.652 -0.000 -3.090) 3.504 3.060 ( 3.777 -0.000 -0.839) 3.869 3.107 ( 1.265 -0.000 2.065) 2.422 3.307 ( 0.128 -0.000 -2.231) 2.235 3.381 ( 1.305 -0.000 0.126) 1.311 3.559 ( 1.297 -0.000 -3.759) 3.976 3.687 ( 2.110 -0.000 -3.820) 4.364 3.867 ( 7.895 -0.000 4.187) 8.937 3.939 ( -14.730 0.000 -9.735) 17.657 4.009 ( -4.895 0.000 0.870) 4.972 4.044 ( 3.619 -0.000 3.893) 5.315 4.250 ( -3.587 0.000 -1.165) 3.772 4.719 ( 4.868 -0.000 -3.161) 5.804 4.854 ( 8.887 -0.000 10.161) 13.499 4.938 ( 0.772 -0.000 2.498) 2.615 5.013 ( -2.270 0.000 -5.546) 5.992 5.267 ( -5.098 0.000 0.125) 5.099 5.718 ( -2.619 0.000 -0.810) 2.742 5.867 ( 1.775 -0.000 -0.982) 2.028 5.918 ( 1.285 -0.000 0.977) 1.615 6.435 ( -13.877 0.000 -1.641) 13.974 7.703 ( 0.858 -0.000 -0.307) 0.912 10.104 ( -2.567 0.000 2.497) 3.581 10.885 ( 0.092 -0.000 -4.302) 4.303 11.001 ( -0.655 0.000 0.303) 0.721 11.333 ( 1.266 -0.000 -4.096) 4.287 11.540 ( 0.718 -0.000 -0.130) 0.730 11.567 ( 7.185 -0.000 4.398) 8.425 ======================= Grid point 20 (14/129) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -0.410 -2.037 11.632) 11.816 1.455 ( -6.488 1.121 -7.170) 9.734 1.495 ( 4.898 -0.296 3.536) 6.048 1.909 ( 3.761 -4.248 6.007) 8.263 1.997 ( 2.432 0.659 -4.649) 5.288 2.095 ( -5.069 0.714 -0.347) 5.131 2.199 ( -4.655 0.679 -0.281) 4.712 2.417 ( -4.700 1.196 -3.986) 6.277 2.469 ( -5.271 -2.189 -1.792) 5.982 2.644 ( 3.551 3.602 2.082) 5.470 2.783 ( -4.673 2.454 -1.366) 5.452 2.810 ( 6.439 -1.516 -3.525) 7.496 2.857 ( -2.353 -0.041 2.297) 3.289 2.956 ( -0.782 0.529 -0.113) 0.951 2.995 ( 0.783 -0.045 3.021) 3.121 3.113 ( 5.479 2.264 2.737) 6.529 3.202 ( 5.187 -0.918 1.059) 5.373 3.329 ( 0.752 -1.066 0.642) 1.454 3.434 ( 3.631 -0.046 4.607) 5.866 3.581 ( -8.572 6.898 -3.904) 11.675 3.655 ( 7.109 -1.300 -0.767) 7.268 3.749 ( 1.583 -5.362 -2.046) 5.953 3.929 ( -4.166 -0.916 1.978) 4.701 4.053 ( 8.711 -0.490 -1.361) 8.830 4.107 ( 2.828 2.571 3.358) 5.088 4.208 ( -2.142 -1.114 3.353) 4.131 4.735 ( 2.020 1.589 -2.274) 3.431 4.903 ( -3.249 4.305 -3.710) 6.547 5.000 ( 1.908 -2.776 1.494) 3.685 5.038 ( 5.383 -0.851 4.380) 6.992 5.204 ( -2.865 -1.719 0.139) 3.343 5.683 ( -1.726 -1.003 -0.679) 2.109 5.840 ( -1.853 1.610 -2.954) 3.841 5.946 ( -0.736 -2.201 -0.132) 2.325 6.211 ( -12.784 -0.688 -5.158) 13.802 7.715 ( 1.117 0.380 0.053) 1.181 10.085 ( -2.440 -0.402 1.546) 2.916 10.843 ( 0.683 2.657 -3.271) 4.269 11.011 ( 0.287 -2.231 -1.395) 2.647 11.309 ( -1.858 0.975 -0.203) 2.108 11.548 ( 0.849 0.665 0.237) 1.104 11.708 ( 6.698 -1.241 4.033) 7.916 ======================= Grid point 21 (15/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -10.192 -4.020 1.822) 11.106 1.313 ( -1.307 6.586 0.666) 6.747 1.514 ( -1.907 6.735 0.445) 7.014 1.845 ( -9.420 3.018 -12.184) 15.694 2.016 ( -3.624 -5.070 2.461) 6.700 2.077 ( 3.160 -2.556 3.391) 5.293 2.165 ( -2.532 -3.281 0.788) 4.218 2.413 ( -2.641 1.132 -0.689) 2.955 2.429 ( 4.754 -1.949 4.113) 6.582 2.631 ( 4.087 6.810 -3.497) 8.678 2.695 ( -1.519 -0.010 -2.961) 3.328 2.806 ( 0.075 1.097 -4.171) 4.313 2.921 ( 0.408 -1.347 -1.025) 1.741 2.944 ( 0.541 -2.495 3.021) 3.956 3.022 ( -0.470 -0.165 3.808) 3.840 3.103 ( -1.123 8.911 -0.349) 8.988 3.269 ( 2.584 -0.122 0.926) 2.747 3.299 ( -2.885 2.431 -3.266) 4.990 3.374 ( -1.498 -2.791 2.515) 4.044 3.677 ( 9.420 0.813 8.543) 12.743 3.711 ( 6.214 1.513 -1.814) 6.648 3.884 ( 0.387 -4.060 2.084) 4.580 3.903 ( -0.202 -2.927 1.117) 3.139 4.088 ( 2.311 2.841 0.160) 3.666 4.189 ( 5.761 -1.597 1.861) 6.261 4.265 ( 2.088 -0.570 4.431) 4.932 4.693 ( -5.226 2.073 -3.151) 6.445 4.795 ( 1.765 2.384 -5.554) 6.296 5.056 ( 0.510 -0.810 4.470) 4.571 5.095 ( 1.546 1.458 2.132) 3.010 5.244 ( 3.200 -2.851 -0.137) 4.288 5.688 ( 0.434 -2.168 -0.096) 2.213 5.741 ( -6.382 1.205 -4.491) 7.896 5.894 ( -5.232 1.168 -2.228) 5.805 6.071 ( -6.783 -7.339 -5.700) 11.505 7.726 ( 0.918 0.627 0.408) 1.184 10.062 ( -2.603 -0.542 0.527) 2.711 10.816 ( 1.230 1.654 -1.591) 2.604 11.027 ( 1.351 -0.884 -1.991) 2.563 11.254 ( -4.476 1.756 1.144) 4.942 11.553 ( 0.730 1.050 0.306) 1.315 11.839 ( 5.943 -1.071 3.952) 7.217 ======================= Grid point 22 (16/129) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -11.451 4.098 -5.260) 13.251 1.219 ( -3.662 14.647 4.705) 15.814 1.373 ( -1.894 6.652 -2.298) 7.288 1.586 ( -8.168 6.532 -9.500) 14.129 2.053 ( -1.791 -7.309 2.164) 7.830 2.123 ( -0.291 6.696 2.371) 7.109 2.206 ( -0.379 -11.096 -1.080) 11.154 2.350 ( -0.592 5.489 -0.038) 5.521 2.560 ( 3.317 -0.350 6.404) 7.221 2.636 ( 5.718 2.337 1.839) 6.445 2.696 ( 2.343 -1.369 -3.653) 4.551 2.780 ( 1.454 -2.581 -4.361) 5.272 2.915 ( -1.976 -3.782 0.763) 4.335 2.960 ( -2.744 -2.336 0.614) 3.655 3.023 ( -1.739 -0.142 -1.586) 2.358 3.057 ( 0.757 -2.139 -0.883) 2.434 3.263 ( 0.147 0.554 2.713) 2.773 3.327 ( 4.293 3.317 1.811) 5.719 3.404 ( -1.271 -2.205 2.652) 3.676 3.705 ( 7.275 6.598 -4.970) 11.007 3.796 ( -2.943 2.607 5.256) 6.564 3.907 ( 4.318 2.689 -0.051) 5.087 3.970 ( 0.429 -3.226 0.711) 3.331 4.131 ( 0.027 1.019 3.390) 3.540 4.214 ( -0.242 1.758 -0.146) 1.781 4.351 ( 3.611 -1.952 3.158) 5.179 4.577 ( -2.688 2.372 -1.083) 3.745 4.801 ( 2.061 -4.310 -5.363) 7.183 5.101 ( -0.716 -1.875 2.133) 2.929 5.136 ( 4.635 2.908 7.035) 8.912 5.313 ( 3.496 -2.213 -2.344) 4.756 5.598 ( -6.120 0.782 -3.532) 7.109 5.729 ( 2.409 -1.650 0.534) 2.968 5.814 ( -2.589 -0.060 -1.397) 2.942 5.999 ( -9.088 -7.563 -7.710) 14.116 7.734 ( 0.496 0.646 0.532) 0.973 10.030 ( -2.218 -0.157 -0.402) 2.259 10.821 ( 1.279 0.158 -0.056) 1.290 11.041 ( 2.746 1.125 -1.837) 3.490 11.164 ( -5.917 2.586 1.284) 6.584 11.551 ( 0.379 1.146 0.156) 1.217 11.957 ( 4.538 -1.832 3.532) 6.036 ======================= Grid point 23 (17/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 0.000 14.179 -0.000) 14.179 0.996 ( 0.000 21.934 -0.000) 21.934 1.332 ( 0.000 19.771 -0.000) 19.771 1.373 ( -0.000 -4.148 0.000) 4.148 2.010 ( 0.000 12.509 -0.000) 12.509 2.136 ( -0.000 -8.052 0.000) 8.052 2.284 ( 0.000 4.584 -0.000) 4.584 2.331 ( -0.000 -11.348 0.000) 11.348 2.627 ( -0.000 -2.290 0.000) 2.290 2.689 ( -0.000 -2.923 0.000) 2.923 2.707 ( -0.000 -2.057 0.000) 2.057 2.871 ( -0.000 -7.382 0.000) 7.382 2.934 ( -0.000 -0.292 0.000) 0.292 2.987 ( -0.000 -5.048 0.000) 5.048 2.989 ( -0.000 -3.726 0.000) 3.726 3.092 ( -0.000 -3.944 0.000) 3.944 3.276 ( -0.000 -0.541 0.000) 0.541 3.339 ( 0.000 4.563 -0.000) 4.563 3.422 ( -0.000 -2.722 0.000) 2.722 3.675 ( 0.000 9.452 -0.000) 9.452 3.743 ( 0.000 4.422 -0.000) 4.422 3.901 ( 0.000 4.429 -0.000) 4.429 4.002 ( 0.000 4.579 -0.000) 4.579 4.036 ( -0.000 -1.934 0.000) 1.934 4.218 ( 0.000 6.487 -0.000) 6.487 4.413 ( -0.000 -2.669 0.000) 2.669 4.560 ( -0.000 -1.457 0.000) 1.457 4.865 ( -0.000 -6.859 0.000) 6.859 5.103 ( -0.000 -0.780 0.000) 0.780 5.236 ( -0.000 -1.081 0.000) 1.081 5.341 ( -0.000 -2.355 0.000) 2.355 5.538 ( 0.000 0.546 -0.000) 0.546 5.795 ( -0.000 -0.621 0.000) 0.621 5.824 ( -0.000 -1.667 0.000) 1.667 5.862 ( -0.000 -3.069 0.000) 3.069 7.733 ( 0.000 0.574 -0.000) 0.574 10.006 ( 0.000 0.393 -0.000) 0.393 10.838 ( -0.000 -0.723 0.000) 0.723 11.053 ( 0.000 3.017 -0.000) 3.017 11.073 ( 0.000 2.394 -0.000) 2.394 11.544 ( 0.000 0.870 -0.000) 0.870 12.038 ( -0.000 -3.055 0.000) 3.055 ======================= Grid point 28 (18/129) ======================= q-point: ( 0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -11.159 0.000 2.008) 11.338 1.380 ( 2.028 -0.000 3.747) 4.260 1.593 ( 2.200 -0.000 1.930) 2.926 1.868 ( -12.052 0.000 -9.204) 15.165 1.955 ( -0.528 0.000 1.207) 1.318 2.036 ( -1.345 0.000 -1.125) 1.754 2.171 ( -1.226 0.000 2.022) 2.364 2.383 ( -3.579 0.000 0.140) 3.582 2.419 ( 5.461 -0.000 2.031) 5.826 2.681 ( -4.590 0.000 -2.234) 5.105 2.699 ( 1.043 -0.000 -1.012) 1.454 2.872 ( 1.153 -0.000 -0.163) 1.165 2.875 ( 6.130 -0.000 -6.362) 8.835 2.924 ( -2.966 0.000 -0.563) 3.019 3.021 ( 0.432 -0.000 3.104) 3.134 3.196 ( 3.451 -0.000 3.143) 4.668 3.293 ( 1.629 -0.000 1.184) 2.013 3.337 ( 1.900 -0.000 1.867) 2.664 3.357 ( -11.627 0.000 -5.819) 13.001 3.679 ( 14.052 -0.000 12.021) 18.493 3.722 ( 5.238 -0.000 -5.785) 7.804 3.779 ( 2.125 -0.000 5.999) 6.364 3.897 ( -3.037 0.000 1.426) 3.355 4.117 ( 5.189 -0.000 -2.398) 5.717 4.186 ( 2.797 -0.000 2.222) 3.572 4.250 ( 2.206 -0.000 5.612) 6.030 4.710 ( -1.487 0.000 -3.218) 3.545 4.823 ( -6.395 0.000 -6.355) 9.016 5.048 ( 3.292 -0.000 2.534) 4.154 5.145 ( 3.947 -0.000 4.113) 5.700 5.178 ( 1.764 -0.000 0.066) 1.765 5.664 ( 0.565 -0.000 0.203) 0.601 5.756 ( -6.976 0.000 -4.810) 8.473 5.916 ( -2.129 0.000 -0.684) 2.236 5.985 ( -10.422 0.000 -6.131) 12.091 7.733 ( 1.002 -0.000 0.116) 1.009 10.056 ( -2.578 0.000 1.102) 2.803 10.836 ( 0.220 -0.000 -2.956) 2.964 11.016 ( 2.944 -0.000 -1.450) 3.282 11.273 ( -4.401 0.000 1.289) 4.586 11.567 ( 0.928 -0.000 0.278) 0.968 11.822 ( 5.818 -0.000 3.406) 6.742 ======================= Grid point 30 (19/129) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -9.340 -2.789 -2.213) 9.995 1.446 ( 1.859 8.622 6.992) 11.255 1.557 ( -3.420 5.523 1.167) 6.600 1.650 ( -5.734 0.744 -7.684) 9.617 1.918 ( -3.664 -4.338 -3.068) 6.454 2.032 ( -1.692 -4.704 -2.141) 5.438 2.182 ( 1.111 0.587 2.418) 2.725 2.362 ( -2.134 -2.413 0.435) 3.251 2.545 ( 5.363 -0.227 6.804) 8.666 2.665 ( 2.604 -1.541 0.112) 3.027 2.711 ( 2.877 0.129 -1.673) 3.331 2.813 ( -1.399 4.505 -4.263) 6.358 2.881 ( -1.459 -1.393 -1.571) 2.557 2.937 ( 3.287 0.102 -3.352) 4.696 3.025 ( -1.553 0.106 -0.530) 1.645 3.100 ( -7.682 7.385 -1.358) 10.742 3.252 ( -2.042 -1.849 2.380) 3.640 3.335 ( 0.884 -0.999 0.663) 1.489 3.418 ( 4.861 1.274 4.998) 7.087 3.772 ( 7.459 -0.161 -5.520) 9.281 3.830 ( -2.778 -0.111 5.443) 6.112 3.868 ( 2.077 -1.725 -2.046) 3.388 3.969 ( 9.940 1.060 9.087) 13.510 4.123 ( -4.171 -0.935 1.030) 4.397 4.242 ( 4.289 0.981 2.556) 5.088 4.326 ( 3.778 -0.643 2.283) 4.461 4.632 ( -6.894 2.811 -4.772) 8.843 4.711 ( -1.475 -3.910 -4.773) 6.344 5.099 ( 0.815 1.006 3.997) 4.202 5.184 ( 2.688 2.280 3.123) 4.709 5.248 ( 2.820 -3.739 -2.743) 5.427 5.611 ( -6.453 0.438 -3.359) 7.288 5.704 ( 3.316 -0.669 1.410) 3.665 5.824 ( -4.154 1.173 -2.981) 5.246 5.885 ( -5.679 -3.813 -3.303) 7.597 7.744 ( 0.555 0.304 0.157) 0.652 10.029 ( -1.867 0.009 0.438) 1.917 10.822 ( 0.280 0.018 -1.423) 1.450 11.060 ( 4.604 0.567 -1.430) 4.854 11.203 ( -5.818 1.069 1.488) 6.100 11.575 ( 0.580 0.897 0.216) 1.090 11.917 ( 3.510 -1.439 2.099) 4.336 ======================= Grid point 31 (20/129) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -0.000 -0.561 0.000) 0.561 1.352 ( 0.000 11.327 -0.000) 11.327 1.438 ( 0.000 12.213 -0.000) 12.213 1.565 ( 0.000 5.351 -0.000) 5.351 1.955 ( -0.000 -9.035 0.000) 9.035 2.081 ( -0.000 -9.914 0.000) 9.914 2.192 ( 0.000 2.682 -0.000) 2.682 2.365 ( -0.000 -0.349 0.000) 0.349 2.624 ( -0.000 -0.538 0.000) 0.538 2.708 ( 0.000 2.264 -0.000) 2.264 2.726 ( 0.000 5.370 -0.000) 5.370 2.755 ( -0.000 -3.518 0.000) 3.518 2.880 ( 0.000 2.599 -0.000) 2.599 2.895 ( -0.000 -3.648 0.000) 3.648 3.001 ( 0.000 1.885 -0.000) 1.885 3.027 ( -0.000 -2.733 0.000) 2.733 3.260 ( -0.000 -1.158 0.000) 1.158 3.355 ( -0.000 -1.584 0.000) 1.584 3.456 ( 0.000 3.646 -0.000) 3.646 3.792 ( 0.000 0.879 -0.000) 0.879 3.829 ( 0.000 5.349 -0.000) 5.349 3.937 ( -0.000 -6.310 0.000) 6.310 3.995 ( 0.000 3.597 -0.000) 3.597 4.078 ( 0.000 2.681 -0.000) 2.681 4.332 ( 0.000 4.067 -0.000) 4.067 4.374 ( -0.000 -0.966 0.000) 0.966 4.512 ( -0.000 -3.381 0.000) 3.381 4.735 ( -0.000 -4.754 0.000) 4.754 5.104 ( 0.000 1.073 -0.000) 1.073 5.227 ( 0.000 0.036 -0.000) 0.036 5.279 ( -0.000 -3.581 0.000) 3.581 5.550 ( 0.000 0.603 -0.000) 0.603 5.782 ( -0.000 -0.564 0.000) 0.564 5.788 ( -0.000 -1.655 0.000) 1.655 5.807 ( -0.000 -2.010 0.000) 2.010 7.745 ( 0.000 0.481 -0.000) 0.481 10.014 ( 0.000 0.292 -0.000) 0.292 10.824 ( -0.000 -0.572 0.000) 0.572 11.107 ( 0.000 2.084 -0.000) 2.084 11.117 ( 0.000 1.724 -0.000) 1.724 11.568 ( 0.000 1.369 -0.000) 1.369 11.975 ( -0.000 -2.830 0.000) 2.830 ======================= Grid point 39 (21/129) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 73 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -0.000 -0.000 0.000) 0.000 1.492 ( -0.000 -0.000 0.000) 0.000 1.612 ( -0.000 -0.000 0.000) 0.000 1.625 ( 0.000 0.000 -0.000) 0.000 1.806 ( -0.000 -0.000 0.000) 0.000 1.981 ( -0.000 -0.000 0.000) 0.000 2.200 ( -0.000 -0.000 0.000) 0.000 2.334 ( -0.000 -0.000 0.000) 0.000 2.620 ( -0.000 -0.000 0.000) 0.000 2.723 ( -0.000 -0.000 0.000) 0.000 2.727 ( -0.000 -0.000 0.000) 0.000 2.753 ( -0.000 -0.000 0.000) 0.000 2.851 ( -0.000 -0.000 0.000) 0.000 2.994 ( -0.000 -0.000 0.000) 0.000 3.005 ( -0.000 -0.000 0.000) 0.000 3.052 ( -0.000 -0.000 0.000) 0.000 3.229 ( -0.000 -0.000 0.000) 0.000 3.337 ( -0.000 -0.000 0.000) 0.000 3.489 ( -0.000 -0.000 0.000) 0.000 3.797 ( -0.000 -0.000 0.000) 0.000 3.846 ( -0.000 -0.000 0.000) 0.000 3.883 ( -0.000 -0.000 0.000) 0.000 4.040 ( -0.000 -0.000 0.000) 0.000 4.106 ( -0.000 -0.000 0.000) 0.000 4.361 ( -0.000 -0.000 0.000) 0.000 4.379 ( -0.000 -0.000 0.000) 0.000 4.463 ( -0.000 -0.000 0.000) 0.000 4.690 ( -0.000 -0.000 0.000) 0.000 5.130 ( -0.000 -0.000 0.000) 0.000 5.226 ( -0.000 -0.000 0.000) 0.000 5.229 ( -0.000 -0.000 0.000) 0.000 5.557 ( -0.000 -0.000 0.000) 0.000 5.769 ( -0.000 -0.000 0.000) 0.000 5.775 ( -0.000 -0.000 0.000) 0.000 5.787 ( -0.000 -0.000 0.000) 0.000 7.750 ( -0.000 -0.000 0.000) 0.000 10.017 ( -0.000 -0.000 0.000) 0.000 10.818 ( -0.000 -0.000 0.000) 0.000 11.129 ( -0.000 -0.000 0.000) 0.000 11.135 ( -0.000 -0.000 0.000) 0.000 11.585 ( -0.000 -0.000 0.000) 0.000 11.942 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/129) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.128 -0.000 23.970) 23.970 0.500 ( -3.199 0.000 25.195) 25.397 0.818 ( 12.249 -0.000 40.678) 42.482 1.661 ( -10.674 0.000 -0.892) 10.711 1.701 ( 6.260 -0.000 -4.633) 7.788 2.081 ( -6.583 0.000 6.585) 9.311 2.429 ( -0.149 0.000 -6.496) 6.497 2.528 ( 2.331 -0.000 1.276) 2.658 2.649 ( -3.902 0.000 -11.594) 12.233 2.659 ( -1.198 0.000 -4.396) 4.557 2.782 ( 3.119 -0.000 -7.960) 8.549 2.918 ( -0.695 0.000 -2.527) 2.621 2.937 ( 0.025 -0.000 -1.826) 1.826 3.072 ( -7.723 0.000 -3.169) 8.348 3.101 ( 2.917 -0.000 -0.299) 2.932 3.242 ( -1.872 0.000 -3.137) 3.653 3.263 ( 0.004 -0.000 8.852) 8.852 3.330 ( -5.889 0.000 -4.617) 7.483 3.377 ( 2.415 -0.000 1.703) 2.955 3.569 ( -3.933 0.000 7.961) 8.880 3.652 ( 8.347 -0.000 5.059) 9.761 3.700 ( -5.526 0.000 -8.166) 9.860 3.941 ( 8.607 -0.000 8.808) 12.315 3.959 ( 6.084 -0.000 4.563) 7.605 4.342 ( -12.214 0.000 -18.683) 22.322 4.451 ( -8.974 0.000 -1.659) 9.126 4.581 ( -10.407 0.000 -1.229) 10.479 4.624 ( -1.492 0.000 0.145) 1.499 5.095 ( -13.572 0.000 3.766) 14.085 5.286 ( 5.629 -0.000 10.929) 12.294 5.323 ( -4.288 0.000 -5.772) 7.191 5.529 ( 4.295 -0.000 0.770) 4.363 5.766 ( 1.860 -0.000 1.464) 2.367 5.821 ( 0.070 -0.000 1.016) 1.018 6.684 ( 45.976 -0.000 -2.012) 46.020 7.714 ( -0.056 0.000 -0.641) 0.644 10.273 ( 24.531 -0.000 0.143) 24.531 10.965 ( -4.731 0.000 -0.854) 4.808 11.004 ( -3.671 0.000 -0.769) 3.751 11.158 ( -38.176 0.000 1.578) 38.209 11.191 ( 3.666 -0.000 0.769) 3.745 11.527 ( 0.309 -0.000 -0.518) 0.603 ======================= Grid point 70 (23/129) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 7.237 -5.449 18.955) 21.008 0.780 ( 6.380 -10.495 20.309) 23.734 1.416 ( 21.432 -4.675 30.149) 37.285 1.592 ( 5.064 1.861 3.475) 6.418 1.754 ( 2.655 -2.810 -3.630) 5.303 2.052 ( -6.175 -4.354 5.391) 9.282 2.346 ( -0.379 4.590 -8.246) 9.445 2.482 ( -3.790 2.006 -11.569) 12.338 2.548 ( -1.265 3.039 -1.444) 3.594 2.597 ( -1.512 -0.487 -0.966) 1.860 2.797 ( 2.678 -2.760 -6.306) 7.386 2.872 ( -4.121 -1.901 -3.151) 5.525 2.915 ( -0.568 1.898 -3.940) 4.410 2.964 ( -3.964 -0.327 0.608) 4.023 3.095 ( -1.518 3.498 -0.494) 3.845 3.149 ( -6.763 0.200 -1.927) 7.035 3.254 ( 0.879 2.652 -3.840) 4.749 3.286 ( -1.430 1.280 6.914) 7.175 3.405 ( -3.515 -5.322 -0.994) 6.455 3.547 ( -3.332 2.977 6.860) 8.187 3.614 ( -0.034 -1.137 -1.196) 1.651 3.810 ( 6.069 -1.978 2.049) 6.704 3.956 ( -7.774 1.287 -8.228) 11.393 4.123 ( 7.986 2.606 2.545) 8.777 4.211 ( 4.851 -5.098 3.240) 7.747 4.335 ( -4.824 0.173 -0.637) 4.869 4.525 ( 0.527 -0.521 -2.399) 2.511 4.625 ( -3.331 -5.193 -1.637) 6.383 4.999 ( -4.361 2.246 5.247) 7.183 5.210 ( -6.128 -2.948 -6.932) 9.711 5.365 ( -0.061 2.133 4.697) 5.159 5.647 ( 7.083 0.157 4.419) 8.350 5.791 ( 0.032 -0.177 1.433) 1.444 5.842 ( 1.576 0.012 1.230) 1.999 6.832 ( 3.829 14.101 -5.113) 15.481 7.704 ( -0.415 0.589 -0.475) 0.863 10.333 ( -1.825 14.094 4.063) 14.781 10.792 ( -0.744 0.549 -2.001) 2.205 10.987 ( 0.069 -4.283 -3.172) 5.330 11.110 ( 4.797 -0.503 5.008) 6.953 11.376 ( 1.586 -18.285 -5.226) 19.083 11.528 ( 0.158 -0.305 -0.357) 0.496 ======================= Grid point 71 (24/129) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 7.011 -6.690 12.648) 15.934 1.122 ( 7.267 -10.496 15.914) 20.401 1.583 ( 7.227 4.808 0.124) 8.681 1.771 ( -1.202 -4.023 -3.925) 5.747 1.999 ( 7.892 -1.875 10.302) 13.112 2.105 ( 6.143 -8.351 9.281) 13.914 2.228 ( 0.307 5.970 -7.273) 9.414 2.360 ( -0.338 -0.843 -5.154) 5.233 2.536 ( 3.602 -0.079 3.056) 4.724 2.566 ( -1.104 3.742 -0.340) 3.916 2.742 ( -7.758 2.421 -0.833) 8.170 2.849 ( 2.518 -3.654 -3.313) 5.538 2.861 ( -0.087 4.359 -0.921) 4.456 2.942 ( -0.824 0.801 1.016) 1.534 3.007 ( -6.068 -0.256 -0.278) 6.080 3.066 ( -2.735 1.146 -0.544) 3.015 3.218 ( 0.089 0.012 -3.090) 3.091 3.320 ( -0.786 -1.549 5.410) 5.682 3.400 ( -1.605 -3.782 -5.422) 6.802 3.502 ( 0.987 4.261 -2.762) 5.173 3.635 ( -2.376 -2.181 -0.752) 3.311 3.773 ( -1.186 0.549 -3.543) 3.776 3.938 ( 3.813 -1.999 0.079) 4.306 4.142 ( -3.932 3.448 -1.098) 5.344 4.249 ( -7.651 -1.088 -1.525) 7.877 4.275 ( 0.227 2.231 1.580) 2.744 4.555 ( 1.250 -2.912 -7.112) 7.786 4.691 ( 6.859 -2.345 9.614) 12.041 4.985 ( 0.128 0.273 3.366) 3.379 5.130 ( -5.089 -4.164 -3.933) 7.662 5.344 ( -2.040 3.701 2.898) 5.124 5.744 ( 3.445 0.419 0.991) 3.609 5.793 ( -0.431 0.417 0.528) 0.799 5.890 ( 3.044 -1.496 1.691) 3.790 6.648 ( -5.025 12.072 -2.834) 13.379 7.691 ( -0.348 0.135 -0.178) 0.414 10.217 ( -3.352 6.309 4.131) 8.252 10.770 ( 0.796 1.550 -1.937) 2.605 11.014 ( 1.864 -2.814 -4.574) 5.684 11.228 ( 4.214 -1.377 5.593) 7.137 11.500 ( 2.343 -6.952 -4.932) 8.841 11.538 ( 0.159 -3.439 -0.740) 3.521 ======================= Grid point 72 (25/129) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 2.842 -0.095 7.658) 8.169 1.385 ( 2.038 -5.946 9.831) 11.668 1.618 ( 3.288 2.627 -1.285) 4.400 1.795 ( 3.497 -5.438 -2.424) 6.905 2.065 ( 0.289 -3.017 3.028) 4.284 2.142 ( 2.214 5.233 -5.335) 7.794 2.164 ( -2.685 -0.036 -5.971) 6.547 2.468 ( 1.123 0.448 -2.950) 3.188 2.495 ( -0.364 2.254 1.728) 2.864 2.592 ( -2.428 0.377 1.301) 2.780 2.724 ( 6.084 4.451 5.367) 9.254 2.809 ( -3.115 -1.428 3.555) 4.937 2.895 ( 0.564 0.753 -0.840) 1.261 2.916 ( -2.779 -1.441 -1.104) 3.319 2.989 ( 1.342 -1.107 6.766) 6.986 3.044 ( 0.756 0.289 0.233) 0.842 3.205 ( -0.299 -1.701 -2.997) 3.460 3.341 ( -0.862 -0.343 -1.877) 2.094 3.392 ( 1.445 -1.855 3.715) 4.396 3.470 ( 4.292 2.724 -3.827) 6.363 3.595 ( -1.527 -4.853 -5.986) 7.856 3.847 ( 6.715 -0.313 3.779) 7.712 3.967 ( -0.720 0.576 -3.062) 3.198 3.979 ( -12.127 3.159 -0.239) 12.534 4.081 ( -4.748 1.427 -2.408) 5.512 4.300 ( 0.032 0.525 3.115) 3.159 4.545 ( 1.539 -0.749 -4.974) 5.260 4.895 ( 7.609 -0.898 8.464) 11.417 5.021 ( -0.604 -1.490 -4.839) 5.100 5.067 ( -4.602 -1.363 4.288) 6.436 5.293 ( -2.240 2.194 1.534) 3.491 5.748 ( -1.360 0.646 -0.354) 1.547 5.799 ( 1.568 -0.305 -1.321) 2.073 5.970 ( 3.203 -2.473 0.165) 4.050 6.433 ( -6.547 7.720 -3.985) 10.878 7.691 ( 0.092 -0.258 0.294) 0.402 10.158 ( -1.777 3.118 2.071) 4.143 10.762 ( 0.227 -0.333 -0.333) 0.523 11.026 ( 1.382 -1.693 -4.944) 5.405 11.324 ( 0.791 -1.477 6.086) 6.313 11.520 ( 0.878 0.308 -1.122) 1.458 11.599 ( 3.186 -3.835 -2.497) 5.576 ======================= Grid point 73 (26/129) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -1.296 8.596 1.695) 8.857 1.373 ( -6.945 3.828 2.032) 8.186 1.681 ( 1.841 -2.840 2.099) 3.982 1.840 ( -6.647 -0.125 -3.826) 7.670 2.071 ( 6.823 7.425 -4.170) 10.912 2.102 ( 4.428 -3.040 -0.252) 5.377 2.210 ( 1.495 -8.114 1.496) 8.385 2.410 ( -2.697 0.430 0.736) 2.828 2.477 ( -2.295 -0.516 -2.488) 3.424 2.541 ( -3.401 2.239 -0.540) 4.107 2.726 ( -2.140 -0.226 -1.570) 2.664 2.778 ( -0.706 7.468 2.679) 7.965 2.858 ( -1.514 -0.101 -1.841) 2.386 2.928 ( 0.583 -1.069 1.316) 1.793 3.035 ( 0.042 1.036 0.849) 1.340 3.065 ( 0.414 0.458 4.413) 4.456 3.193 ( 0.001 0.623 -3.997) 4.045 3.316 ( -0.872 0.529 -0.705) 1.240 3.498 ( 7.340 1.401 3.960) 8.457 3.526 ( 0.337 -6.019 2.981) 6.725 3.678 ( 1.673 -5.272 -3.397) 6.491 3.737 ( -2.249 1.306 -5.027) 5.660 3.901 ( 0.462 2.589 1.462) 3.009 4.044 ( 6.720 -1.263 5.707) 8.907 4.070 ( 1.758 -1.347 2.402) 3.267 4.307 ( -2.104 -0.810 3.666) 4.304 4.548 ( 3.215 0.237 -4.132) 5.241 4.856 ( -9.330 3.918 -7.470) 12.578 5.023 ( 3.196 2.060 7.187) 8.131 5.133 ( 1.341 -3.599 3.957) 5.515 5.258 ( -1.579 1.212 0.648) 2.094 5.722 ( -0.425 0.016 -1.292) 1.360 5.806 ( -0.619 -1.226 -1.809) 2.271 5.991 ( -1.627 0.933 -2.539) 3.157 6.290 ( -2.354 -1.180 -5.914) 6.474 7.702 ( 0.369 -0.329 0.921) 1.045 10.124 ( -1.223 1.666 0.860) 2.238 10.779 ( 0.247 -1.939 0.628) 2.053 11.020 ( 0.530 -1.057 -4.177) 4.341 11.356 ( -3.176 -0.899 4.185) 5.330 11.520 ( 0.769 0.723 -0.502) 1.169 11.669 ( 5.415 0.463 0.310) 5.443 ======================= Grid point 74 (27/129) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -6.544 13.359 -2.099) 15.023 1.200 ( -11.385 10.641 4.509) 16.222 1.601 ( -14.262 1.484 -9.669) 17.294 1.697 ( -1.196 -0.736 -2.311) 2.705 2.050 ( -6.497 8.700 -1.628) 10.980 2.189 ( -4.036 3.893 5.944) 8.172 2.297 ( 8.441 -7.524 3.640) 11.879 2.393 ( -1.122 -5.115 0.129) 5.238 2.450 ( 1.133 -2.556 -2.209) 3.563 2.565 ( 4.420 -1.846 3.074) 5.691 2.627 ( -1.146 2.863 -0.943) 3.225 2.792 ( 1.369 -1.515 -1.392) 2.471 2.864 ( 6.088 1.526 1.340) 6.418 2.961 ( 2.590 0.649 0.244) 2.681 3.048 ( 0.919 -1.249 1.669) 2.278 3.095 ( -0.207 1.047 3.658) 3.811 3.142 ( 0.735 1.956 -4.723) 5.164 3.296 ( -2.773 -1.690 0.354) 3.266 3.483 ( -3.002 3.332 -8.906) 9.971 3.582 ( -2.008 -6.598 -0.366) 6.907 3.667 ( 4.480 3.814 8.934) 10.697 3.876 ( 7.737 -2.832 -3.200) 8.839 3.921 ( 1.599 0.658 3.472) 3.878 4.085 ( -0.951 -1.596 0.263) 1.876 4.198 ( 2.573 2.677 2.222) 4.327 4.359 ( 2.624 -5.017 9.457) 11.022 4.576 ( 4.203 2.180 -2.680) 5.440 4.630 ( -6.490 2.821 -6.665) 9.721 5.050 ( -0.962 4.119 5.118) 6.640 5.199 ( 0.168 -4.119 1.625) 4.431 5.259 ( 2.114 1.379 3.808) 4.569 5.713 ( -0.900 -0.993 -2.585) 2.911 5.762 ( -3.686 -0.173 -3.441) 5.045 5.905 ( -3.525 1.627 -1.594) 4.197 6.275 ( 0.181 -6.813 -10.915) 12.868 7.719 ( 0.322 -0.229 1.355) 1.412 10.095 ( -1.743 0.798 0.172) 1.925 10.815 ( 0.918 -2.758 0.578) 2.963 11.008 ( -0.348 -0.933 -1.925) 2.167 11.313 ( -5.597 0.366 1.259) 5.748 11.522 ( 0.692 0.599 -0.263) 0.952 11.753 ( 6.856 2.918 3.314) 8.155 ======================= Grid point 75 (28/129) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -11.509 14.346 1.261) 18.435 0.871 ( -18.504 14.496 1.361) 23.545 1.251 ( -24.255 7.708 -1.141) 25.476 1.663 ( 3.975 5.334 -5.104) 8.385 1.795 ( -13.577 -0.435 5.227) 14.555 2.188 ( -1.950 4.248 6.542) 8.041 2.415 ( -0.908 -5.258 0.115) 5.337 2.481 ( 3.105 -1.135 -2.832) 4.353 2.558 ( 9.894 -7.030 2.168) 12.329 2.647 ( 4.896 -2.636 -2.032) 5.920 2.698 ( 5.303 -2.339 3.637) 6.842 2.821 ( 2.636 -3.869 -3.360) 5.762 2.968 ( 5.867 4.186 -1.441) 7.350 3.012 ( 5.101 0.523 3.744) 6.349 3.057 ( 0.681 2.506 -1.930) 3.236 3.109 ( 0.299 -2.491 4.825) 5.438 3.159 ( 3.195 -1.492 1.567) 3.859 3.288 ( -0.915 -2.570 0.652) 2.805 3.372 ( -0.524 2.228 -5.816) 6.250 3.627 ( -4.025 -4.651 2.035) 6.479 3.691 ( 3.826 6.742 4.668) 9.049 3.865 ( -9.562 -2.588 -10.889) 14.721 3.938 ( 1.458 2.768 -1.771) 3.594 4.110 ( -2.962 3.502 -5.330) 7.032 4.136 ( 3.699 2.339 12.056) 12.826 4.504 ( -2.025 0.109 0.059) 2.029 4.533 ( 2.545 -3.966 7.214) 8.616 4.660 ( 9.203 2.650 -1.433) 9.683 5.033 ( 0.395 2.157 3.015) 3.729 5.266 ( 0.086 -3.554 6.222) 7.166 5.326 ( 3.906 0.332 4.772) 6.175 5.615 ( -6.130 0.075 -5.215) 8.048 5.737 ( 0.911 -0.037 -0.594) 1.088 5.856 ( -1.938 0.521 0.488) 2.065 6.209 ( -5.268 -6.070 -20.104) 21.651 7.731 ( -0.142 -0.072 1.017) 1.029 10.058 ( -2.793 0.289 0.157) 2.812 10.868 ( 2.438 -2.668 -0.205) 3.620 11.007 ( -1.468 -2.074 1.397) 2.900 11.218 ( -6.701 0.730 -0.690) 6.776 11.524 ( 0.566 0.361 -0.330) 0.748 11.850 ( 7.978 4.187 2.666) 9.396 ======================= Grid point 76 (29/129) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -12.951 9.167 12.925) 20.465 0.501 ( -16.545 8.637 13.383) 22.966 0.815 ( -22.147 18.532 21.131) 35.783 1.656 ( 7.369 4.239 -5.411) 10.077 1.748 ( -8.744 -10.891 2.661) 14.218 2.138 ( -5.386 3.137 6.615) 9.089 2.443 ( -0.000 -3.705 -3.835) 5.332 2.507 ( 1.630 -0.519 -1.948) 2.593 2.669 ( 4.177 0.708 -2.841) 5.101 2.718 ( 0.222 -5.395 -8.019) 9.668 2.812 ( 3.266 -0.885 -5.396) 6.369 2.918 ( 6.700 1.596 1.606) 7.073 2.961 ( 0.991 2.887 -1.841) 3.564 3.035 ( 3.407 -2.184 1.317) 4.256 3.113 ( 4.751 -0.987 2.802) 5.603 3.147 ( -3.565 -3.343 1.951) 5.262 3.265 ( 0.873 -2.850 -1.673) 3.418 3.329 ( 8.758 8.306 5.583) 13.299 3.390 ( 0.603 -10.094 4.081) 10.904 3.550 ( -10.855 -0.993 -5.980) 12.433 3.624 ( -2.061 9.246 1.733) 9.630 3.782 ( 4.605 -3.042 1.274) 5.664 3.860 ( -3.161 3.045 -5.972) 7.411 3.968 ( -2.353 5.355 -4.835) 7.589 4.359 ( 1.525 -13.629 12.395) 18.486 4.490 ( -1.431 -0.970 -2.134) 2.746 4.591 ( -1.087 -1.815 1.443) 2.561 4.793 ( 16.337 12.017 2.559) 20.441 5.038 ( -0.289 -1.320 3.699) 3.938 5.340 ( -2.679 -6.005 -2.251) 6.950 5.455 ( 2.105 -1.547 5.695) 6.265 5.524 ( -1.947 -0.131 -2.844) 3.449 5.775 ( 3.940 4.588 0.593) 6.077 5.836 ( -1.173 2.279 0.170) 2.569 5.953 ( -3.168 -0.993 -1.173) 3.521 7.727 ( -0.820 0.074 -0.193) 0.846 10.037 ( -0.055 -0.776 4.832) 4.895 10.932 ( 4.081 -0.804 -0.930) 4.262 11.034 ( -2.136 -4.023 3.978) 6.047 11.115 ( -7.478 -4.300 -1.081) 8.693 11.526 ( 0.425 0.155 -0.500) 0.674 11.841 ( -2.416 10.098 -15.633) 18.767 ======================= Grid point 78 (30/129) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 6.398 -0.000 18.916) 19.968 1.003 ( 11.375 -0.000 16.402) 19.961 1.643 ( 7.239 -0.000 -0.952) 7.302 1.727 ( -0.959 0.000 -4.280) 4.386 1.972 ( -6.721 0.000 5.258) 8.533 2.011 ( 25.075 -0.000 23.569) 34.413 2.289 ( -1.813 0.000 -8.467) 8.659 2.360 ( -2.818 0.000 -8.479) 8.935 2.507 ( 0.848 -0.000 -0.495) 0.982 2.657 ( 1.565 -0.000 4.189) 4.472 2.744 ( -1.566 0.000 -6.576) 6.760 2.804 ( -0.998 0.000 -2.262) 2.472 2.917 ( -1.440 0.000 2.042) 2.499 2.927 ( 0.382 -0.000 -1.882) 1.920 3.030 ( -5.745 0.000 1.428) 5.920 3.074 ( -4.371 0.000 -1.417) 4.595 3.225 ( -3.211 0.000 0.048) 3.211 3.314 ( -1.449 0.000 -4.632) 4.853 3.334 ( 0.228 -0.000 3.519) 3.527 3.546 ( -1.973 0.000 -0.095) 1.976 3.620 ( 0.988 -0.000 -2.962) 3.123 3.786 ( -3.501 0.000 -5.910) 6.869 3.916 ( 6.298 -0.000 2.482) 6.770 4.175 ( -3.944 0.000 -0.935) 4.053 4.225 ( -5.028 0.000 -3.308) 6.019 4.307 ( 1.166 -0.000 1.086) 1.593 4.523 ( 3.416 -0.000 -4.031) 5.284 4.665 ( 6.439 -0.000 10.392) 12.225 5.011 ( -2.366 0.000 6.852) 7.249 5.061 ( -4.051 0.000 -7.741) 8.737 5.382 ( -2.053 0.000 2.035) 2.891 5.762 ( 4.775 -0.000 2.039) 5.192 5.783 ( -1.636 0.000 0.219) 1.651 5.874 ( 1.787 -0.000 1.017) 2.056 6.786 ( -8.941 0.000 -6.786) 11.225 7.697 ( -0.539 0.000 -0.320) 0.627 10.301 ( -10.462 0.000 6.046) 12.084 10.875 ( 9.282 -0.000 -11.549) 14.817 10.897 ( -2.206 0.000 -1.730) 2.803 11.214 ( 4.945 -0.000 5.024) 7.049 11.372 ( 7.089 -0.000 1.671) 7.283 11.528 ( 0.252 -0.000 -0.224) 0.338 ======================= Grid point 79 (31/129) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 5.051 -2.454 14.803) 15.832 1.280 ( 9.107 -3.092 12.948) 16.129 1.647 ( -4.510 -0.145 -5.897) 7.425 1.745 ( 8.761 0.305 -2.578) 9.138 1.947 ( -4.021 -4.393 4.766) 7.627 2.208 ( -1.895 1.419 -3.842) 4.513 2.243 ( 0.828 3.077 -5.442) 6.307 2.437 ( 9.157 0.045 3.761) 9.899 2.553 ( 1.883 0.718 -1.759) 2.675 2.636 ( -4.169 2.099 -0.290) 4.676 2.690 ( -0.104 -2.617 4.333) 5.063 2.846 ( 4.437 -1.576 1.119) 4.840 2.891 ( -1.406 3.804 -0.269) 4.064 2.949 ( 0.772 -0.025 1.445) 1.639 2.988 ( -1.066 2.148 4.705) 5.280 3.021 ( -0.505 -1.315 1.116) 1.798 3.178 ( -2.241 -0.597 -1.089) 2.562 3.293 ( 0.204 -3.382 -0.347) 3.405 3.369 ( 1.608 -0.532 2.352) 2.898 3.500 ( -0.828 0.025 -4.332) 4.410 3.573 ( 1.468 1.333 -7.674) 7.926 3.827 ( 5.962 -0.730 4.340) 7.411 3.996 ( -0.179 1.900 -1.622) 2.504 4.029 ( -9.862 1.080 -5.401) 11.295 4.085 ( -5.530 -0.816 -2.068) 5.960 4.324 ( -1.404 1.264 4.798) 5.157 4.552 ( 4.992 0.874 -5.281) 7.319 4.869 ( 8.343 -1.306 10.248) 13.279 4.980 ( -1.227 -1.537 -5.216) 5.574 5.036 ( -2.736 -1.107 6.256) 6.917 5.336 ( -4.397 1.411 0.731) 4.675 5.749 ( -2.415 -0.091 -0.681) 2.511 5.809 ( 2.090 0.739 -1.862) 2.895 5.917 ( 2.030 -2.014 0.525) 2.907 6.560 ( -11.765 3.751 -6.568) 13.986 7.691 ( 0.232 0.159 -0.033) 0.283 10.209 ( -5.965 1.540 4.247) 7.483 10.813 ( 1.338 5.139 -3.010) 6.104 10.950 ( 2.196 -5.710 -7.294) 9.520 11.309 ( 2.575 -0.007 5.467) 6.043 11.508 ( 7.354 -2.680 0.173) 7.830 11.533 ( 0.526 -0.345 0.290) 0.693 ======================= Grid point 80 (32/129) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 1.689 1.573 9.775) 10.044 1.433 ( -1.704 2.262 1.586) 3.246 1.572 ( -2.319 -5.871 2.084) 6.647 1.854 ( 7.175 0.682 -3.423) 7.979 2.009 ( -0.698 -6.763 2.720) 7.323 2.138 ( -1.762 2.447 0.494) 3.055 2.186 ( 2.244 2.580 -4.925) 5.996 2.457 ( -4.857 -0.220 -1.653) 5.135 2.469 ( 1.349 5.528 -5.858) 8.166 2.561 ( -5.249 -0.493 -0.055) 5.272 2.767 ( -2.648 0.067 0.500) 2.695 2.814 ( -0.045 -1.660 -2.977) 3.409 2.894 ( -2.078 3.057 -0.014) 3.696 2.933 ( 3.994 2.061 3.891) 5.945 3.040 ( 0.029 -0.476 4.045) 4.073 3.089 ( 2.868 1.487 5.313) 6.218 3.171 ( 0.518 -1.780 -1.990) 2.720 3.342 ( -0.351 0.647 0.617) 0.961 3.447 ( 3.647 -1.664 5.687) 6.957 3.519 ( 2.417 -0.428 -6.521) 6.967 3.571 ( 8.104 -1.184 2.367) 8.525 3.776 ( -8.773 -0.675 -6.037) 10.671 3.925 ( 0.930 1.112 -3.752) 4.023 3.997 ( 5.180 -1.460 4.622) 7.094 4.086 ( 1.248 1.160 2.405) 2.947 4.317 ( -2.710 1.168 6.258) 6.918 4.572 ( 5.347 1.849 -5.442) 7.850 4.904 ( -5.621 0.691 -6.498) 8.620 5.047 ( 5.268 0.059 8.462) 9.968 5.071 ( -0.672 -2.309 5.387) 5.900 5.265 ( -3.653 0.127 0.397) 3.676 5.714 ( -2.127 -0.953 -0.904) 2.500 5.797 ( 0.097 0.598 -3.416) 3.469 5.965 ( 0.672 -2.715 -1.181) 3.036 6.307 ( -11.315 2.043 -7.199) 13.566 7.700 ( 0.812 0.055 0.368) 0.894 10.153 ( -3.533 1.079 2.309) 4.356 10.781 ( 1.195 2.160 -0.814) 2.599 10.971 ( 1.139 -3.673 -6.091) 7.203 11.356 ( -1.060 0.695 5.219) 5.370 11.534 ( 0.638 0.571 -0.040) 0.857 11.647 ( 7.454 -2.006 0.301) 7.725 ======================= Grid point 81 (33/129) ======================= q-point: (-0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -4.188 8.476 -3.393) 10.045 1.361 ( -4.544 3.286 7.911) 9.697 1.582 ( -9.917 -0.263 0.319) 9.926 1.752 ( -4.400 5.502 -8.960) 11.397 2.121 ( 4.265 -7.710 2.288) 9.104 2.171 ( 0.183 -2.378 -1.052) 2.607 2.223 ( 3.317 -0.920 6.032) 6.945 2.362 ( -4.991 5.769 -2.955) 8.181 2.407 ( 1.551 -0.923 -0.613) 1.906 2.535 ( 0.097 -1.856 1.559) 2.426 2.672 ( -3.001 2.871 -1.937) 4.583 2.795 ( -2.720 0.386 -2.717) 3.864 2.911 ( 2.819 -3.966 -1.502) 5.093 2.970 ( 3.511 6.255 4.041) 8.233 3.028 ( -2.011 0.491 0.215) 2.081 3.112 ( -0.843 1.392 4.997) 5.255 3.186 ( 3.179 0.881 -3.948) 5.145 3.290 ( -2.983 1.565 -1.744) 3.793 3.463 ( -1.218 -3.414 -0.025) 3.625 3.562 ( -1.927 1.872 -7.866) 8.312 3.685 ( 10.248 -1.943 10.017) 14.461 3.825 ( 8.650 -0.592 -1.353) 8.775 3.912 ( 0.041 -2.035 -3.763) 4.278 4.086 ( -0.043 1.387 4.097) 4.326 4.186 ( 7.449 -3.618 7.916) 11.457 4.322 ( -1.045 1.366 5.826) 6.074 4.601 ( 6.323 0.835 -5.482) 8.410 4.722 ( -7.734 5.156 -5.241) 10.671 5.097 ( -1.569 -1.262 -1.126) 2.307 5.150 ( 1.597 0.858 10.053) 10.215 5.258 ( 0.373 -1.532 2.018) 2.561 5.697 ( -0.462 -0.864 -1.883) 2.123 5.750 ( -3.438 -0.571 -3.660) 5.054 5.931 ( -4.769 0.817 -2.800) 5.591 6.145 ( -5.395 -5.276 -7.260) 10.471 7.716 ( 0.835 -0.025 0.707) 1.094 10.111 ( -2.941 0.660 0.853) 3.133 10.790 ( 1.427 0.215 1.090) 1.808 10.976 ( 0.833 -2.188 -4.491) 5.065 11.337 ( -4.293 1.746 3.778) 5.979 11.536 ( 0.600 0.796 -0.014) 0.997 11.772 ( 7.657 -0.730 0.281) 7.697 ======================= Grid point 82 (34/129) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -8.120 12.066 -1.477) 14.618 1.187 ( -14.332 16.640 -2.679) 22.124 1.372 ( -7.210 2.905 2.376) 8.128 1.632 ( -6.826 -0.944 -1.250) 7.003 2.049 ( -6.969 16.149 0.857) 17.610 2.216 ( -2.682 -5.396 0.872) 6.089 2.306 ( 1.184 -4.860 3.242) 5.961 2.340 ( 0.242 -5.787 3.916) 6.992 2.483 ( 8.586 -0.792 -3.155) 9.181 2.607 ( 1.432 -2.010 -0.222) 2.478 2.662 ( 4.214 -1.567 2.982) 5.395 2.756 ( 1.278 -2.345 -1.591) 3.108 2.966 ( 1.492 -3.232 0.090) 3.562 2.989 ( 0.654 -1.718 -1.586) 2.428 3.032 ( 0.333 -0.175 0.540) 0.658 3.107 ( -3.626 -2.665 1.393) 4.710 3.203 ( 6.844 5.442 -0.366) 8.752 3.257 ( 0.802 0.274 0.549) 1.010 3.448 ( 0.876 2.289 -7.979) 8.347 3.528 ( 1.496 -1.594 2.393) 3.241 3.800 ( -1.634 0.297 -7.684) 7.861 3.871 ( 0.168 4.314 6.253) 7.599 3.947 ( 5.916 -1.100 -0.680) 6.056 4.139 ( 3.345 1.174 5.421) 6.477 4.219 ( -5.102 3.352 -2.699) 6.674 4.422 ( 2.089 -4.837 7.597) 9.245 4.569 ( -1.705 3.904 0.359) 4.275 4.680 ( 9.118 -0.376 -2.469) 9.454 5.062 ( -0.624 0.304 -2.865) 2.948 5.226 ( 0.136 -0.051 8.048) 8.049 5.318 ( 2.502 -1.454 5.025) 5.799 5.621 ( -5.809 0.557 -5.468) 7.997 5.720 ( 1.070 -1.368 -0.438) 1.792 5.855 ( -3.151 -0.541 0.126) 3.199 6.078 ( -6.419 -6.359 -9.856) 13.371 7.730 ( 0.344 0.011 0.589) 0.682 10.065 ( -3.114 0.405 0.164) 3.144 10.831 ( 1.771 -0.931 2.757) 3.406 10.977 ( 0.657 -1.000 -2.752) 3.001 11.256 ( -6.557 2.619 2.162) 7.385 11.535 ( 0.481 0.784 -0.125) 0.928 11.885 ( 7.677 -0.339 -1.549) 7.839 ======================= Grid point 83 (35/129) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -13.207 13.942 5.456) 19.964 0.793 ( -5.566 20.601 0.653) 21.350 1.250 ( -5.437 18.537 14.543) 24.180 1.545 ( -10.225 -6.746 3.139) 12.646 1.840 ( 1.853 13.607 -2.522) 13.962 2.215 ( -3.012 0.301 2.054) 3.658 2.317 ( -3.356 -3.827 0.755) 5.146 2.443 ( -0.322 -7.869 -0.796) 7.916 2.610 ( 4.892 -3.595 -6.608) 8.973 2.639 ( 1.208 -3.030 -2.307) 3.995 2.734 ( 4.578 -5.395 2.536) 7.516 2.894 ( 6.249 0.352 2.210) 6.638 2.995 ( -1.252 -3.319 0.148) 3.550 3.026 ( -0.050 -4.932 0.659) 4.976 3.030 ( 0.238 -2.373 -0.674) 2.479 3.116 ( 0.675 -3.067 -1.213) 3.367 3.228 ( 3.758 2.339 -3.821) 5.848 3.274 ( -0.574 -0.884 -1.355) 1.717 3.428 ( 1.282 -0.398 -1.749) 2.204 3.574 ( 2.388 4.904 3.690) 6.586 3.684 ( -2.518 0.285 -5.401) 5.966 3.853 ( 2.445 6.851 3.168) 7.934 3.944 ( -3.146 5.057 -4.345) 7.372 4.078 ( -0.783 3.877 -2.809) 4.851 4.213 ( -1.937 -1.534 7.631) 8.020 4.465 ( -3.349 -2.193 -0.405) 4.023 4.568 ( 0.676 -0.276 0.590) 0.939 4.874 ( 13.828 -3.050 3.920) 14.693 5.023 ( -1.496 0.803 -4.875) 5.163 5.250 ( -3.057 -2.298 -0.986) 3.949 5.436 ( 2.947 -1.167 8.831) 9.382 5.528 ( -1.685 0.403 -2.658) 3.173 5.789 ( 3.931 -0.978 2.317) 4.667 5.858 ( 1.642 -1.428 5.431) 5.851 5.922 ( -8.207 -2.027 -6.632) 10.745 7.730 ( -0.429 0.239 -0.203) 0.532 10.027 ( -1.871 -0.111 1.594) 2.460 10.895 ( 0.775 -2.277 4.648) 5.234 10.976 ( 0.880 0.172 -1.701) 1.923 11.136 ( -7.283 2.976 1.000) 7.930 11.532 ( 0.307 0.573 -0.295) 0.714 11.947 ( 4.612 1.044 -9.636) 10.734 ======================= Grid point 84 (36/129) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 1.157 15.091 14.045) 20.648 0.668 ( 6.313 11.959 19.081) 23.388 1.122 ( 3.207 23.686 28.565) 37.246 1.536 ( -5.167 -8.076 2.524) 9.914 1.772 ( 4.716 6.773 -3.899) 9.127 2.148 ( -4.777 5.627 4.891) 8.854 2.334 ( -1.321 -7.925 -4.435) 9.177 2.492 ( 0.618 -5.097 -2.065) 5.534 2.577 ( -2.195 -3.116 -9.652) 10.377 2.676 ( -0.353 -1.211 -4.170) 4.356 2.807 ( 0.868 -0.074 -2.317) 2.475 2.935 ( -0.722 -0.789 -1.929) 2.206 3.006 ( -0.980 -0.065 -5.376) 5.465 3.027 ( -5.086 -2.439 -0.699) 5.684 3.055 ( 0.907 -2.182 -0.958) 2.550 3.159 ( 2.412 -2.766 0.379) 3.690 3.231 ( 1.111 -1.153 -4.278) 4.568 3.290 ( -2.934 -2.300 -0.073) 3.728 3.425 ( 0.966 -6.721 3.103) 7.466 3.549 ( -0.781 9.522 4.165) 10.422 3.652 ( -2.030 0.782 1.007) 2.398 3.794 ( -0.136 4.693 -2.727) 5.430 3.952 ( 8.970 2.017 3.234) 9.746 4.024 ( 1.443 4.182 1.509) 4.674 4.231 ( -5.561 -3.446 2.437) 6.981 4.408 ( -4.435 -1.420 -2.734) 5.400 4.560 ( -1.503 -0.192 -1.945) 2.465 4.869 ( -5.958 9.487 -14.191) 18.080 5.033 ( -7.235 -4.811 1.524) 8.821 5.251 ( 3.118 -2.999 8.709) 9.724 5.387 ( -7.830 3.796 -3.951) 9.557 5.535 ( 4.472 0.496 1.303) 4.684 5.777 ( -0.143 0.581 0.554) 0.815 5.820 ( -0.081 -0.119 1.348) 1.355 6.356 ( 26.670 -19.321 15.840) 36.544 7.713 ( -0.695 0.267 -0.768) 1.069 10.095 ( 5.398 -6.700 5.821) 10.388 10.900 ( -10.238 -2.336 3.506) 11.071 11.004 ( 4.801 1.516 0.318) 5.045 11.038 ( -1.487 1.721 1.566) 2.762 11.528 ( 0.181 0.359 -0.571) 0.698 11.754 ( -6.077 16.207 -19.974) 26.430 ======================= Grid point 87 (37/129) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 2.800 -0.000 13.505) 13.792 1.475 ( 7.425 -0.000 10.470) 12.836 1.488 ( -9.090 0.000 -7.911) 12.051 1.864 ( 8.882 -0.000 -3.765) 9.647 1.930 ( -0.119 0.000 5.320) 5.321 2.159 ( -3.582 0.000 -0.887) 3.690 2.225 ( -0.572 0.000 -2.823) 2.881 2.457 ( -5.500 0.000 -4.457) 7.079 2.539 ( -6.825 0.000 -0.116) 6.826 2.600 ( 6.927 -0.000 -8.388) 10.878 2.657 ( -0.737 0.000 -0.983) 1.229 2.868 ( -5.268 0.000 -0.865) 5.338 2.926 ( -3.240 0.000 -0.123) 3.243 2.956 ( 3.923 -0.000 4.335) 5.847 3.010 ( 1.205 -0.000 3.472) 3.675 3.095 ( 3.327 -0.000 3.251) 4.652 3.173 ( 3.100 -0.000 3.266) 4.503 3.335 ( 1.052 -0.000 3.621) 3.771 3.430 ( 4.588 -0.000 5.266) 6.984 3.495 ( 7.183 -0.000 -5.374) 8.971 3.614 ( 7.618 -0.000 1.792) 7.826 3.737 ( -15.051 0.000 -10.362) 18.273 3.934 ( 4.709 -0.000 -1.324) 4.891 3.997 ( -2.413 0.000 2.168) 3.244 4.096 ( 4.189 -0.000 1.067) 4.323 4.332 ( -3.910 0.000 7.998) 8.902 4.598 ( 5.949 -0.000 -7.171) 9.317 4.902 ( -1.482 0.000 -5.669) 5.859 5.041 ( 5.525 -0.000 8.854) 10.436 5.047 ( -2.365 0.000 6.610) 7.020 5.268 ( -5.313 0.000 0.214) 5.317 5.700 ( -2.680 0.000 -1.033) 2.872 5.811 ( 0.369 -0.000 -4.463) 4.478 5.927 ( 0.928 -0.000 -0.086) 0.932 6.333 ( -14.085 0.000 -7.926) 16.162 7.701 ( 0.930 -0.000 0.039) 0.931 10.164 ( -4.713 0.000 3.196) 5.695 10.833 ( -0.922 0.000 -0.867) 1.265 10.905 ( 4.091 -0.000 -7.696) 8.715 11.368 ( -0.365 0.000 5.507) 5.519 11.541 ( 0.730 -0.000 0.054) 0.732 11.620 ( 8.395 -0.000 0.769) 8.431 ======================= Grid point 88 (38/129) ======================= q-point: (-0.62 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -11.246 -1.718 -6.424) 13.065 1.402 ( 2.122 2.120 10.164) 10.597 1.613 ( 1.860 1.454 7.680) 8.035 1.862 ( -4.393 3.736 -8.549) 10.312 1.992 ( 1.180 -4.040 2.653) 4.975 2.101 ( -4.336 -1.947 0.521) 4.782 2.214 ( 0.993 0.295 1.282) 1.648 2.369 ( -0.679 -0.823 -0.360) 1.126 2.469 ( -4.571 -2.173 1.429) 5.259 2.563 ( 6.228 8.568 -6.951) 12.670 2.724 ( 2.264 -4.858 -4.652) 7.097 2.745 ( -5.914 0.843 -1.519) 6.163 2.874 ( -2.325 -0.226 -2.062) 3.116 2.983 ( -1.816 -1.001 1.859) 2.785 3.053 ( -0.486 0.103 2.499) 2.548 3.170 ( 4.440 -0.202 1.374) 4.652 3.239 ( 4.094 5.408 3.238) 7.516 3.341 ( -1.221 1.718 0.046) 2.108 3.436 ( -8.335 1.750 -3.878) 9.358 3.558 ( 4.138 -1.624 -8.630) 9.708 3.638 ( 11.948 -1.583 10.382) 15.907 3.805 ( 7.686 -2.853 4.941) 9.573 3.888 ( -1.539 0.809 -6.958) 7.172 4.092 ( 4.288 -0.994 9.021) 10.037 4.150 ( 3.821 0.351 0.781) 3.915 4.344 ( -2.201 0.486 7.826) 8.144 4.614 ( 4.135 0.326 -7.501) 8.571 4.809 ( -4.635 2.781 -5.542) 7.742 5.061 ( -1.182 -1.131 2.250) 2.782 5.162 ( 3.201 -0.696 6.989) 7.718 5.229 ( -1.864 -0.488 3.503) 3.998 5.672 ( -0.890 -1.021 -0.365) 1.403 5.754 ( -2.876 0.614 -5.540) 6.272 5.930 ( -1.493 -0.625 -1.484) 2.196 6.081 ( -12.006 -1.211 -7.406) 14.158 7.717 ( 1.138 0.048 0.108) 1.145 10.120 ( -3.854 0.229 1.740) 4.235 10.812 ( 0.306 1.357 0.217) 1.408 10.929 ( 3.568 -1.930 -5.374) 6.733 11.370 ( -3.836 1.084 4.900) 6.317 11.550 ( 0.886 0.494 -0.021) 1.015 11.746 ( 7.886 -1.107 -0.321) 7.970 ======================= Grid point 89 (39/129) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -10.604 -2.364 -4.374) 11.712 1.444 ( -0.117 6.458 8.192) 10.432 1.521 ( -8.389 14.231 -3.756) 16.941 1.662 ( -6.450 2.245 -1.390) 6.969 2.045 ( -4.581 -8.975 0.614) 10.095 2.114 ( -0.890 -6.445 2.002) 6.807 2.229 ( -2.460 -0.799 3.804) 4.600 2.401 ( 0.721 2.786 -0.335) 2.897 2.514 ( 9.354 1.548 -1.521) 9.603 2.558 ( 5.553 1.368 1.142) 5.832 2.650 ( -0.835 0.800 -0.898) 1.464 2.735 ( -2.814 -0.397 -2.486) 3.776 2.884 ( 2.311 -4.449 -2.590) 5.643 2.977 ( -3.370 -3.973 0.837) 5.276 3.022 ( -1.303 2.021 -1.831) 3.022 3.109 ( -6.552 5.718 -1.044) 8.759 3.270 ( 0.983 1.061 -1.222) 1.893 3.313 ( 7.278 3.427 4.328) 9.135 3.419 ( -1.553 -1.994 -0.222) 2.537 3.565 ( 6.915 1.568 -6.643) 9.716 3.796 ( -2.115 0.117 -8.346) 8.611 3.895 ( 7.838 -1.015 7.319) 10.772 3.949 ( 6.010 0.058 5.173) 7.930 4.166 ( 4.497 1.548 4.063) 6.255 4.239 ( -3.006 -1.310 1.105) 3.460 4.367 ( 0.893 -0.469 7.341) 7.410 4.619 ( 1.313 0.177 -2.787) 3.086 4.676 ( -2.179 0.843 -5.610) 6.077 5.063 ( 0.896 0.362 -1.772) 2.018 5.243 ( -0.945 0.649 4.730) 4.867 5.269 ( 2.272 -2.633 7.362) 8.142 5.636 ( -5.716 0.779 -5.886) 8.241 5.691 ( 1.384 -1.274 0.513) 1.950 5.850 ( -4.646 0.427 -1.883) 5.031 5.963 ( -5.643 -4.913 -5.040) 9.021 7.731 ( 0.812 0.083 0.066) 0.819 10.072 ( -3.439 0.295 0.518) 3.490 10.822 ( 0.698 -0.128 2.189) 2.301 10.963 ( 3.952 -0.387 -3.599) 5.359 11.308 ( -6.388 2.166 3.457) 7.580 11.554 ( 0.722 0.968 -0.172) 1.219 11.858 ( 6.700 -1.721 -2.123) 7.236 ======================= Grid point 90 (40/129) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -8.147 3.915 1.777) 9.212 1.198 ( -4.836 18.266 -5.027) 19.552 1.407 ( -2.754 3.425 4.886) 6.572 1.576 ( -3.351 6.406 7.468) 10.394 2.073 ( -3.602 -8.309 -0.575) 9.074 2.146 ( -2.634 9.490 0.613) 9.868 2.225 ( -1.058 -9.709 2.666) 10.124 2.367 ( -0.944 2.801 1.268) 3.217 2.570 ( 5.000 0.875 -5.500) 7.484 2.623 ( 0.314 2.031 -1.851) 2.766 2.663 ( 3.346 -1.547 0.370) 3.705 2.805 ( 6.176 -7.757 5.131) 11.164 2.926 ( -2.017 -3.169 -0.319) 3.770 2.975 ( -0.549 0.648 -1.241) 1.504 2.981 ( -3.663 -3.795 1.370) 5.450 3.030 ( 0.990 -2.021 -1.111) 2.510 3.256 ( -0.382 0.667 -3.329) 3.417 3.357 ( 2.848 5.311 -5.226) 7.976 3.392 ( -1.799 -1.593 0.506) 2.455 3.658 ( 8.530 1.730 -1.059) 8.768 3.717 ( 2.410 3.179 -3.865) 5.555 3.965 ( -0.689 2.549 -1.048) 2.840 4.027 ( 2.709 2.833 4.000) 5.601 4.104 ( -7.595 0.974 -2.234) 7.976 4.260 ( 3.243 4.142 2.197) 5.701 4.415 ( -2.100 -1.927 0.805) 2.962 4.568 ( -2.619 -0.570 0.726) 2.777 4.757 ( 6.646 -6.841 1.876) 9.720 5.047 ( 0.596 1.217 -4.437) 4.639 5.231 ( -2.555 0.032 -0.234) 2.566 5.395 ( 1.847 -2.847 10.373) 10.914 5.538 ( -1.766 0.489 -2.937) 3.462 5.760 ( 5.094 -1.640 2.367) 5.851 5.817 ( -0.792 -1.901 2.290) 3.080 5.873 ( -7.034 -2.618 -4.559) 8.782 7.736 ( 0.141 0.314 -0.283) 0.446 10.029 ( -2.244 0.220 0.302) 2.274 10.858 ( -0.218 -1.384 3.729) 3.983 11.000 ( 4.866 1.589 -2.004) 5.497 11.199 ( -7.317 2.983 1.925) 8.133 11.550 ( 0.357 1.085 -0.302) 1.182 11.932 ( 4.255 -1.823 -5.879) 7.483 ======================= Grid point 91 (41/129) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 4.638 9.734 10.495) 15.047 0.983 ( 1.805 17.116 2.130) 17.343 1.402 ( -2.773 -3.390 3.118) 5.376 1.549 ( 3.569 14.578 17.758) 23.251 1.984 ( -0.020 13.750 -1.926) 13.884 2.112 ( -1.150 -9.096 -3.357) 9.763 2.307 ( -1.311 2.240 1.450) 2.973 2.341 ( -1.655 -6.312 0.837) 6.579 2.529 ( -2.640 -1.489 -7.143) 7.759 2.619 ( 1.088 -2.342 -2.541) 3.623 2.768 ( 2.219 -2.827 2.956) 4.653 2.881 ( -3.499 -2.335 -0.761) 4.275 2.957 ( 0.120 -5.476 0.030) 5.478 2.970 ( -1.147 -4.569 -0.769) 4.774 3.015 ( -0.343 0.308 -1.513) 1.582 3.087 ( 2.078 -4.060 -0.640) 4.606 3.219 ( 0.932 -0.163 -1.562) 1.826 3.312 ( 1.299 3.665 -1.915) 4.334 3.355 ( -0.805 -1.039 -3.738) 3.962 3.651 ( 0.174 1.729 -4.457) 4.784 3.760 ( -0.705 8.240 5.594) 9.984 3.875 ( -0.092 3.268 -3.465) 4.764 3.985 ( 2.649 0.613 -1.500) 3.105 4.102 ( -1.435 2.258 -1.583) 3.109 4.204 ( -1.416 0.155 2.058) 2.503 4.392 ( -2.816 0.128 -0.157) 2.824 4.558 ( -0.621 0.011 -0.621) 0.878 4.920 ( -0.042 -6.375 1.824) 6.631 4.985 ( -1.161 3.237 -8.150) 8.846 5.192 ( -1.802 -2.026 3.127) 4.139 5.432 ( -6.897 0.462 0.003) 6.912 5.546 ( 4.911 0.571 2.627) 5.599 5.773 ( -2.538 -1.017 -0.691) 2.820 5.816 ( 0.392 -0.267 1.989) 2.044 6.053 ( 13.376 -11.295 11.813) 21.120 7.724 ( -0.496 0.708 -0.751) 1.145 10.026 ( 0.914 -1.382 1.677) 2.357 10.875 ( -3.527 -0.684 3.426) 4.964 11.048 ( 5.360 2.503 -0.414) 5.930 11.087 ( -4.107 2.768 1.416) 5.151 11.540 ( 0.042 0.828 -0.381) 0.912 11.903 ( -0.666 1.836 -11.632) 11.795 ======================= Grid point 92 (42/129) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 6.645 12.410 7.937) 16.160 1.026 ( 8.535 11.352 15.328) 20.896 1.440 ( 1.744 -3.457 5.067) 6.377 1.693 ( 15.646 11.532 21.066) 28.663 1.860 ( 0.400 7.914 -3.437) 8.637 2.170 ( 0.612 -4.020 -2.457) 4.751 2.217 ( -3.556 3.541 -0.685) 5.064 2.400 ( 1.027 -5.815 -6.166) 8.537 2.474 ( -2.846 -3.427 -1.537) 4.713 2.604 ( -2.963 -0.722 -1.883) 3.584 2.812 ( 0.630 -1.856 1.764) 2.637 2.865 ( -7.977 -4.420 -2.238) 9.391 2.897 ( -0.410 2.410 -7.710) 8.088 2.951 ( -1.937 0.153 -0.760) 2.087 3.035 ( 0.624 -3.868 -0.385) 3.937 3.109 ( -3.002 -3.832 -2.720) 5.576 3.222 ( 0.450 1.098 -1.047) 1.582 3.304 ( 0.651 2.167 4.041) 4.631 3.412 ( 2.918 -5.055 0.322) 5.846 3.545 ( -3.736 4.562 -5.867) 8.318 3.683 ( -2.804 4.583 4.240) 6.845 3.843 ( -0.613 1.015 -3.074) 3.295 3.970 ( -2.612 2.661 -6.647) 7.621 4.073 ( 4.860 -3.113 0.937) 5.847 4.264 ( 0.106 -0.045 5.266) 5.267 4.338 ( -3.779 0.589 0.092) 3.826 4.549 ( 2.896 1.842 0.237) 3.440 4.764 ( -7.346 6.469 -9.375) 13.553 4.961 ( -0.921 -0.406 3.270) 3.421 5.279 ( -0.583 -3.646 4.417) 5.757 5.284 ( -6.252 1.135 -2.813) 6.949 5.652 ( 6.754 0.793 3.292) 7.555 5.780 ( -0.142 -1.536 1.247) 1.984 5.846 ( 2.010 0.457 2.175) 2.996 6.459 ( 7.856 -18.597 6.163) 21.108 7.703 ( -0.590 0.560 -0.629) 1.029 10.116 ( 2.760 -6.322 3.346) 7.667 10.812 ( -4.952 1.967 1.180) 5.457 11.029 ( 0.432 1.155 -1.364) 1.839 11.136 ( 5.750 1.859 3.957) 7.223 11.530 ( -0.038 0.494 -0.641) 0.811 11.712 ( -3.284 10.389 -12.418) 16.520 ======================= Grid point 96 (43/129) ======================= q-point: ( 0.38 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -11.154 0.000 -4.908) 12.186 1.529 ( 3.978 -0.000 7.746) 8.708 1.678 ( -3.103 0.000 6.088) 6.833 1.712 ( -9.645 0.000 -5.232) 10.973 1.916 ( -6.511 0.000 -2.945) 7.146 2.046 ( -2.663 0.000 1.669) 3.142 2.214 ( -1.318 0.000 1.749) 2.190 2.409 ( -3.457 0.000 2.084) 4.036 2.469 ( 11.024 -0.000 1.299) 11.100 2.668 ( -2.688 0.000 0.223) 2.697 2.672 ( 1.831 -0.000 0.104) 1.834 2.723 ( 9.708 -0.000 -7.515) 12.277 2.804 ( -1.591 0.000 -5.152) 5.392 2.932 ( -5.148 0.000 0.455) 5.169 3.038 ( -2.139 0.000 -1.335) 2.521 3.252 ( -8.636 0.000 -4.469) 9.724 3.262 ( 3.005 -0.000 2.994) 4.242 3.318 ( 1.284 -0.000 1.175) 1.741 3.411 ( 3.487 -0.000 3.013) 4.609 3.571 ( 8.143 -0.000 -8.055) 11.454 3.799 ( -1.958 0.000 -7.545) 7.795 3.897 ( 2.060 -0.000 4.625) 5.063 3.925 ( 14.026 -0.000 12.188) 18.581 4.195 ( 4.007 -0.000 -0.821) 4.090 4.208 ( -0.549 0.000 6.961) 6.983 4.368 ( -0.852 0.000 7.019) 7.070 4.612 ( 3.115 -0.000 -4.610) 5.564 4.690 ( -8.091 0.000 -7.292) 10.892 5.074 ( 2.354 -0.000 -1.345) 2.711 5.220 ( 1.175 -0.000 3.510) 3.701 5.262 ( -0.316 0.000 8.606) 8.611 5.646 ( -5.918 0.000 -6.205) 8.575 5.677 ( 1.960 -0.000 1.094) 2.245 5.875 ( -7.861 0.000 -4.591) 9.103 5.891 ( -2.841 0.000 -1.920) 3.429 7.732 ( 0.999 -0.000 -0.181) 1.015 10.076 ( -3.567 0.000 0.738) 3.642 10.821 ( -0.153 0.000 1.476) 1.484 10.960 ( 5.660 -0.000 -3.451) 6.629 11.332 ( -6.481 0.000 3.897) 7.562 11.566 ( 0.977 -0.000 -0.365) 1.043 11.837 ( 6.394 -0.000 -1.944) 6.683 ======================= Grid point 98 (44/129) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -6.224 -3.106 -2.007) 7.240 1.494 ( -6.758 10.124 -3.597) 12.693 1.547 ( -1.758 6.143 0.291) 6.396 1.668 ( -1.816 3.121 7.644) 8.454 1.897 ( -1.787 -8.069 2.605) 8.665 2.042 ( -2.271 -4.714 2.454) 5.780 2.213 ( -1.165 -1.067 0.527) 1.665 2.384 ( -2.798 -1.219 1.805) 3.546 2.623 ( -0.162 0.092 -3.094) 3.099 2.653 ( 5.970 0.643 -1.471) 6.182 2.703 ( 4.164 -2.025 1.226) 4.790 2.725 ( 5.636 7.641 -1.094) 9.557 2.860 ( -5.363 -3.350 -0.785) 6.372 2.875 ( 5.369 -4.365 -2.130) 7.240 2.996 ( -0.871 0.516 -1.811) 2.075 3.101 ( -4.560 6.399 1.582) 8.015 3.262 ( -2.520 -0.241 -1.822) 3.119 3.346 ( -0.714 -1.706 -0.150) 1.855 3.444 ( 2.528 1.616 -2.806) 4.108 3.664 ( 5.985 -0.277 -6.400) 8.766 3.766 ( 7.111 0.961 -1.996) 7.449 3.947 ( -0.426 -1.430 4.058) 4.323 4.085 ( 1.815 1.927 1.272) 2.937 4.138 ( -9.026 1.346 -0.612) 9.147 4.319 ( 9.431 1.294 4.807) 10.665 4.410 ( -2.356 1.180 3.833) 4.651 4.520 ( -7.206 -3.461 -3.193) 8.608 4.657 ( 4.405 -2.248 -1.206) 5.091 5.073 ( 0.623 1.119 -3.686) 3.903 5.240 ( -1.258 0.521 1.050) 1.720 5.334 ( -0.196 -2.415 9.931) 10.222 5.546 ( -1.796 0.268 -3.405) 3.859 5.736 ( 4.195 -0.566 1.644) 4.541 5.790 ( -1.657 -0.725 0.089) 1.811 5.829 ( -4.735 -1.308 -2.366) 5.453 7.741 ( 0.551 0.149 -0.395) 0.694 10.033 ( -2.365 0.132 -0.063) 2.370 10.839 ( -0.057 -0.499 3.027) 3.068 11.026 ( 6.224 0.738 -1.696) 6.493 11.245 ( -7.530 1.247 2.362) 7.990 11.570 ( 0.630 0.732 -0.657) 1.168 11.896 ( 3.736 -1.204 -4.119) 5.690 ======================= Grid point 99 (45/129) ======================= q-point: (-0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 2.725 -4.131 1.574) 5.193 1.283 ( -1.215 12.594 -3.849) 13.225 1.474 ( 0.257 8.432 5.166) 9.892 1.701 ( 1.996 1.789 10.330) 10.672 1.959 ( -0.573 -5.009 -0.583) 5.075 2.129 ( 0.757 -6.998 3.730) 7.966 2.183 ( -3.571 0.826 -0.432) 3.691 2.374 ( -1.079 0.353 1.107) 1.586 2.513 ( -3.071 0.312 -7.175) 7.811 2.694 ( 1.206 5.952 -1.295) 6.209 2.734 ( 1.823 -0.236 1.304) 2.254 2.815 ( 0.716 -4.235 2.313) 4.878 2.865 ( 3.299 -1.090 -0.357) 3.493 2.904 ( -0.334 0.300 -0.998) 1.094 3.012 ( 2.971 -0.891 -2.009) 3.695 3.058 ( -0.529 1.232 5.084) 5.258 3.215 ( -0.302 -0.626 -3.194) 3.268 3.339 ( 0.101 -0.192 -2.321) 2.331 3.394 ( -2.582 2.863 -2.634) 4.669 3.679 ( 4.686 0.772 -6.975) 8.438 3.877 ( 4.199 0.174 2.331) 4.806 3.921 ( -6.299 2.573 -2.815) 7.363 3.981 ( -5.333 0.897 -3.248) 6.309 4.097 ( 0.500 -1.664 0.509) 1.811 4.238 ( -4.944 2.282 -5.455) 7.708 4.405 ( -3.360 0.528 2.860) 4.444 4.567 ( 3.702 1.215 2.432) 4.593 4.778 ( 4.186 -7.134 3.360) 8.928 5.032 ( -0.187 1.865 -3.611) 4.069 5.190 ( -3.620 1.681 -0.576) 4.033 5.403 ( -4.677 -3.210 4.510) 7.247 5.555 ( 4.955 0.227 2.357) 5.491 5.746 ( -3.638 -1.295 -1.785) 4.254 5.811 ( 1.512 -0.119 2.425) 2.860 5.885 ( 7.807 -5.461 5.275) 10.890 7.738 ( -0.055 0.566 -0.580) 0.812 10.013 ( -0.080 -0.243 -0.116) 0.281 10.865 ( -0.857 -0.318 4.018) 4.121 11.093 ( 5.195 1.746 -0.759) 5.533 11.138 ( -5.350 2.048 1.499) 5.922 11.561 ( 0.084 1.113 -0.682) 1.308 11.900 ( 0.267 -1.160 -7.041) 7.141 ======================= Grid point 100 (46/129) ======================= q-point: (-0.25 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 5.915 -1.547 -1.809) 6.376 1.206 ( 6.907 7.981 6.968) 12.648 1.452 ( 1.451 6.982 6.511) 9.656 1.846 ( 8.144 2.370 13.776) 16.178 1.987 ( -0.398 -3.070 -4.574) 5.523 2.057 ( -2.683 3.552 -4.537) 6.356 2.253 ( 0.430 -8.110 2.894) 8.622 2.356 ( 0.410 3.138 -0.434) 3.195 2.452 ( -1.899 -0.191 -1.136) 2.221 2.607 ( -1.791 5.295 -2.286) 6.039 2.766 ( -1.822 -3.040 2.798) 4.515 2.836 ( -1.258 2.063 -0.067) 2.417 2.898 ( 1.943 -3.683 -1.234) 4.343 2.948 ( 1.624 -0.608 -0.451) 1.792 2.996 ( -1.776 2.280 -1.991) 3.509 3.045 ( -1.074 -0.619 -1.884) 2.255 3.238 ( 1.165 -0.476 0.487) 1.349 3.336 ( 0.975 -0.917 -1.315) 1.876 3.347 ( 0.835 0.726 2.274) 2.529 3.632 ( -3.049 3.703 -7.982) 9.312 3.766 ( -4.009 2.944 -1.414) 5.171 3.855 ( -4.729 0.119 -5.135) 6.982 3.967 ( 0.457 -6.140 -0.333) 6.166 4.051 ( -0.295 3.697 -3.393) 5.027 4.238 ( 0.858 -1.866 1.302) 2.432 4.343 ( -6.989 -0.367 2.154) 7.323 4.598 ( 4.755 2.897 -0.245) 5.573 4.845 ( -3.481 1.495 -3.284) 5.013 4.994 ( 1.056 2.856 1.259) 3.295 5.158 ( -1.757 -4.729 2.476) 5.620 5.331 ( -6.481 0.888 -0.807) 6.591 5.673 ( 6.920 1.006 3.332) 7.746 5.733 ( -0.801 -2.861 1.089) 3.165 5.856 ( 2.713 0.494 2.522) 3.737 6.143 ( 7.796 -12.357 6.111) 15.838 7.721 ( -0.531 1.013 -0.584) 1.284 10.040 ( 2.124 -1.981 0.539) 2.954 10.857 ( -3.168 2.170 3.265) 5.041 11.049 ( -1.907 0.829 -0.949) 2.286 11.177 ( 5.601 2.005 2.789) 6.570 11.544 ( -0.285 0.946 -0.552) 1.132 11.820 ( -2.800 1.636 -9.328) 9.876 ======================= Grid point 101 (47/129) ======================= q-point: (-0.12 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 3.784 2.047 2.085) 4.780 1.341 ( 6.430 8.962 12.431) 16.619 1.493 ( 5.151 -2.204 2.607) 6.179 1.879 ( -1.920 6.063 -4.860) 8.003 2.013 ( 4.803 -0.912 3.415) 5.964 2.081 ( 2.753 -6.908 -3.763) 8.334 2.279 ( -2.296 6.441 -1.847) 7.084 2.382 ( 3.541 -6.361 3.015) 7.880 2.449 ( 2.900 4.543 4.621) 7.100 2.579 ( 1.786 -2.838 1.409) 3.637 2.694 ( -7.899 0.585 -2.757) 8.387 2.822 ( 0.801 1.821 1.980) 2.807 2.913 ( -2.527 0.744 -1.286) 2.931 2.936 ( 3.048 3.048 1.744) 4.650 3.002 ( -2.498 -1.479 -1.158) 3.125 3.012 ( -0.636 -3.140 -0.461) 3.237 3.237 ( 0.603 1.170 -1.698) 2.148 3.355 ( 0.148 -0.116 1.666) 1.676 3.406 ( 2.293 -1.537 1.045) 2.952 3.464 ( -4.983 1.105 -8.956) 10.309 3.698 ( -2.196 3.340 -0.535) 4.033 3.779 ( 1.211 1.060 -3.544) 3.893 3.991 ( -0.211 2.050 1.191) 2.380 4.037 ( -2.770 -5.424 -2.821) 6.712 4.209 ( -7.428 -2.764 -3.884) 8.826 4.276 ( -3.585 0.049 5.360) 6.448 4.620 ( 0.583 2.860 -8.562) 9.046 4.757 ( 4.250 4.526 6.389) 8.909 5.009 ( 1.830 2.178 3.003) 4.136 5.172 ( -6.709 -2.259 -1.963) 7.346 5.267 ( -0.433 -1.515 2.549) 2.996 5.741 ( 0.974 -1.385 0.260) 1.713 5.776 ( 2.375 0.231 1.160) 2.653 5.920 ( 4.535 1.067 2.115) 5.116 6.377 ( 1.043 -13.125 1.519) 13.254 7.699 ( -0.503 0.875 -0.185) 1.026 10.109 ( 1.449 -3.985 1.333) 4.445 10.795 ( -2.571 3.150 1.252) 4.255 11.036 ( 1.247 0.017 -2.233) 2.558 11.261 ( 4.188 1.671 5.362) 7.006 11.527 ( -0.282 0.506 -0.828) 1.010 11.679 ( -2.079 4.839 -7.991) 9.570 ======================= Grid point 106 (48/129) ======================= q-point: (-0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 2.646 -0.000 -1.397) 2.992 1.452 ( -5.183 -0.000 -8.867) 10.270 1.559 ( 3.022 -0.000 6.601) 7.260 1.702 ( -1.059 -0.000 7.487) 7.561 1.909 ( 0.987 -0.000 2.184) 2.397 2.040 ( 1.762 -0.000 6.845) 7.068 2.184 ( -1.481 -0.000 -1.451) 2.074 2.357 ( -1.682 -0.000 2.561) 3.064 2.528 ( -4.540 -0.000 -6.735) 8.122 2.699 ( -5.320 -0.000 -1.543) 5.539 2.751 ( 2.096 -0.000 0.883) 2.275 2.774 ( 5.118 -0.000 1.037) 5.222 2.856 ( 3.184 -0.000 -0.278) 3.196 2.979 ( 11.124 -0.000 -0.459) 11.133 2.995 ( 1.050 -0.000 -2.248) 2.481 3.098 ( -3.035 -0.000 4.184) 5.169 3.197 ( -1.074 -0.000 -2.312) 2.549 3.338 ( -0.361 -0.000 0.258) 0.444 3.416 ( -3.031 -0.000 -4.607) 5.515 3.681 ( 5.581 -0.000 -6.518) 8.581 3.840 ( -0.073 -0.000 -0.779) 0.783 3.962 ( -4.598 -0.000 1.788) 4.933 4.013 ( -9.366 -0.000 -8.717) 12.795 4.065 ( 2.454 -0.000 2.503) 3.506 4.267 ( -6.119 -0.000 -6.717) 9.086 4.405 ( -5.443 -0.000 3.779) 6.626 4.603 ( 11.214 0.000 8.948) 14.347 4.678 ( 1.699 -0.000 -1.878) 2.533 5.056 ( -0.253 -0.000 -2.461) 2.474 5.226 ( -2.431 -0.000 -0.357) 2.458 5.345 ( -4.399 -0.000 6.026) 7.461 5.557 ( 4.709 -0.000 1.534) 4.953 5.732 ( -3.641 -0.000 -2.210) 4.259 5.818 ( 3.967 0.000 3.704) 5.427 5.822 ( 3.955 -0.000 2.111) 4.483 7.744 ( 0.152 -0.000 -0.512) 0.534 10.011 ( -0.325 -0.000 -0.574) 0.660 10.862 ( -0.081 -0.000 4.347) 4.347 11.112 ( 5.089 -0.000 -0.845) 5.159 11.160 ( -5.703 -0.000 1.549) 5.910 11.575 ( 0.216 -0.000 -1.005) 1.028 11.884 ( 0.254 -0.000 -5.622) 5.627 ======================= Grid point 108 (49/129) ======================= q-point: (-0.38 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 7.367 -4.537 -5.061) 10.024 1.340 ( 0.539 4.071 -0.707) 4.167 1.613 ( -0.288 5.779 6.019) 8.349 1.824 ( 8.504 -1.710 8.719) 12.299 1.926 ( 0.644 -2.561 -2.863) 3.895 2.111 ( -2.854 -3.158 4.384) 6.111 2.140 ( -0.672 2.181 -0.514) 2.340 2.369 ( 0.242 -0.951 0.912) 1.340 2.433 ( -1.971 -0.313 -3.706) 4.209 2.685 ( 1.026 -2.427 1.720) 3.147 2.717 ( -3.672 1.017 -2.302) 4.452 2.847 ( 3.874 -0.033 0.234) 3.881 2.882 ( -1.732 -0.474 -3.523) 3.954 2.955 ( 2.677 2.058 -2.942) 4.479 3.042 ( -4.973 1.429 4.273) 6.711 3.153 ( 10.270 8.554 4.084) 13.976 3.213 ( 1.842 -1.286 -0.622) 2.331 3.331 ( 0.056 0.197 -0.037) 0.208 3.351 ( -2.234 -0.683 0.079) 2.337 3.697 ( -3.006 2.446 -7.635) 8.562 3.759 ( -6.727 -3.680 -9.098) 11.898 3.840 ( -1.556 -4.027 -0.776) 4.387 3.858 ( -6.151 0.373 -2.054) 6.495 4.131 ( 1.054 3.655 -1.201) 3.989 4.197 ( 0.271 -2.331 -1.794) 2.954 4.330 ( -8.337 -0.569 2.889) 8.842 4.660 ( 2.833 2.802 -2.421) 4.662 4.820 ( 5.940 -2.921 5.722) 8.750 5.041 ( 0.533 1.421 1.011) 1.823 5.145 ( -4.811 2.786 -2.258) 6.000 5.304 ( -6.903 -3.073 1.629) 7.729 5.682 ( 0.127 -0.637 -0.132) 0.662 5.690 ( 6.577 -0.404 3.971) 7.693 5.875 ( 3.313 1.548 1.866) 4.105 5.963 ( 6.941 -5.502 4.340) 9.863 7.737 ( -0.350 0.471 -0.431) 0.728 10.018 ( 1.582 -0.460 -0.614) 1.758 10.890 ( -0.739 0.906 5.149) 5.280 11.061 ( -4.314 0.341 -1.293) 4.516 11.208 ( 5.314 0.856 2.067) 5.766 11.563 ( -0.232 0.723 -0.898) 1.175 11.823 ( -2.739 -0.446 -7.011) 7.540 ======================= Grid point 109 (50/129) ======================= q-point: (-0.25 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 3.312 -6.264 -7.832) 10.562 1.416 ( 9.076 1.313 7.136) 11.620 1.557 ( -5.022 4.623 5.026) 8.477 1.923 ( -1.731 -5.359 -7.662) 9.509 1.971 ( 5.791 2.655 -1.877) 6.641 2.070 ( -0.429 4.006 6.730) 7.844 2.205 ( 0.677 -6.878 3.570) 7.779 2.380 ( 1.358 1.660 -0.576) 2.221 2.464 ( 4.372 -2.246 3.908) 6.279 2.595 ( -2.749 2.780 -8.327) 9.199 2.731 ( -0.853 1.951 -0.449) 2.177 2.835 ( 0.579 -1.922 -0.226) 2.020 2.906 ( 1.302 -1.033 -0.235) 1.678 2.954 ( -2.739 0.725 2.165) 3.566 2.980 ( -1.204 0.638 0.878) 1.621 3.128 ( -2.378 10.254 2.930) 10.927 3.235 ( 0.741 -0.571 -2.291) 2.474 3.334 ( 0.241 0.165 -0.877) 0.924 3.409 ( 4.293 -0.221 4.976) 6.575 3.481 ( -5.190 1.511 -7.254) 9.047 3.737 ( -3.137 -0.217 -0.155) 3.148 3.809 ( 2.017 1.641 -5.952) 6.495 3.875 ( -0.455 -7.919 0.827) 7.975 4.070 ( -1.045 2.840 -2.546) 3.955 4.160 ( -7.666 -1.925 -6.210) 10.052 4.264 ( -4.168 -0.814 7.554) 8.666 4.663 ( 3.006 1.670 -5.845) 6.781 4.877 ( 1.260 6.492 4.088) 7.774 5.040 ( -1.641 -0.735 -0.871) 1.998 5.087 ( -1.609 -1.892 2.987) 3.885 5.252 ( -4.038 -2.405 0.555) 4.733 5.691 ( 0.186 -2.321 0.216) 2.339 5.804 ( 4.490 1.708 1.872) 5.156 5.927 ( 3.918 -0.276 1.073) 4.072 6.162 ( 6.462 -7.466 2.941) 10.302 7.720 ( -0.667 0.922 -0.151) 1.148 10.054 ( 2.169 -1.605 -0.163) 2.703 10.873 ( -2.422 4.053 3.320) 5.772 11.022 ( -0.409 -1.357 -1.392) 1.987 11.290 ( 4.273 1.097 4.313) 6.169 11.543 ( -0.536 1.021 -0.626) 1.312 11.721 ( -3.845 0.094 -7.474) 8.406 ======================= Grid point 110 (51/129) ======================= q-point: (-0.12 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.796 -7.328 -2.122) 7.671 1.456 ( -8.246 0.716 2.516) 8.651 1.591 ( 7.978 0.259 5.126) 9.486 1.912 ( 0.918 -0.751 -2.565) 2.826 1.979 ( 3.525 0.359 -4.855) 6.011 2.081 ( -1.478 -1.054 2.735) 3.283 2.281 ( 1.606 3.771 -1.982) 4.553 2.365 ( 0.625 -2.675 1.476) 3.118 2.513 ( -0.370 0.110 -4.823) 4.839 2.590 ( 0.572 -2.815 2.423) 3.758 2.665 ( 0.874 3.045 -1.377) 3.454 2.845 ( -3.334 -1.408 -2.817) 4.586 2.885 ( -1.764 2.251 2.988) 4.136 2.937 ( -2.207 -0.599 0.917) 2.464 2.997 ( 1.310 -2.955 -0.488) 3.269 3.048 ( -1.599 4.145 6.689) 8.030 3.221 ( -0.944 -0.585 -3.019) 3.217 3.323 ( -0.697 -0.865 -1.661) 1.998 3.387 ( 2.119 -1.224 -1.429) 2.834 3.525 ( 6.456 7.180 3.542) 10.285 3.716 ( 1.067 5.392 -1.682) 5.748 3.775 ( -1.917 -5.661 1.124) 6.082 3.957 ( 2.861 -0.745 1.154) 3.174 3.970 ( -8.760 0.501 -5.695) 10.460 4.043 ( -1.622 -1.307 0.275) 2.101 4.298 ( -0.060 -0.075 5.474) 5.475 4.591 ( -0.744 3.732 -6.497) 7.530 4.912 ( 4.481 1.194 5.181) 6.953 4.989 ( -6.893 -4.091 -5.913) 9.961 5.104 ( 0.549 2.251 6.292) 6.705 5.255 ( -0.924 -2.310 0.757) 2.601 5.719 ( 0.331 -1.648 -0.174) 1.690 5.825 ( 1.164 1.861 -0.381) 2.227 5.988 ( 2.239 -1.192 -0.766) 2.650 6.300 ( 2.487 -4.441 -1.466) 5.297 7.703 ( -0.376 0.830 0.437) 1.011 10.100 ( 0.908 -2.314 0.459) 2.527 10.813 ( -1.462 4.157 1.254) 4.581 11.031 ( 1.058 -0.914 -2.412) 2.788 11.359 ( 0.923 1.715 6.274) 6.569 11.519 ( -0.417 0.366 -1.485) 1.585 11.638 ( -0.302 -0.139 -4.429) 4.442 ======================= Grid point 116 (52/129) ======================= q-point: (-0.38 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 4.330 -0.000 -11.063) 11.880 1.433 ( 7.314 -0.000 6.429) 9.738 1.602 ( -8.311 0.000 2.478) 8.672 1.860 ( -2.705 0.000 -7.268) 7.755 2.015 ( 8.451 -0.000 5.023) 9.831 2.089 ( -0.849 0.000 3.990) 4.079 2.157 ( 0.190 -0.000 0.829) 0.850 2.391 ( 2.731 -0.000 0.273) 2.745 2.442 ( 4.412 -0.000 4.772) 6.499 2.621 ( -4.206 0.000 -10.452) 11.266 2.738 ( 4.525 -0.000 2.367) 5.107 2.804 ( -1.480 0.000 -4.089) 4.349 2.896 ( 1.501 -0.000 -0.408) 1.556 2.978 ( 0.943 -0.000 -0.829) 1.255 3.007 ( -6.604 0.000 2.897) 7.212 3.174 ( -3.100 0.000 0.249) 3.110 3.283 ( -4.951 0.000 1.222) 5.099 3.337 ( -0.659 0.000 0.934) 1.143 3.421 ( -1.323 0.000 -4.209) 4.412 3.551 ( 9.789 -0.000 4.810) 10.907 3.669 ( -3.373 0.000 -3.963) 5.204 3.783 ( -3.605 0.000 0.192) 3.610 3.828 ( 3.583 -0.000 -3.043) 4.701 4.108 ( -2.390 0.000 -5.520) 6.015 4.132 ( -6.346 0.000 -6.403) 9.015 4.256 ( -4.469 0.000 8.880) 9.942 4.684 ( 3.264 -0.000 -4.627) 5.663 4.936 ( 4.169 -0.000 4.811) 6.366 5.056 ( -6.413 0.000 -4.807) 8.015 5.084 ( 0.150 -0.000 5.410) 5.413 5.189 ( -5.557 0.000 0.477) 5.578 5.668 ( 0.658 -0.000 0.503) 0.829 5.825 ( 5.742 -0.000 2.173) 6.140 5.920 ( 1.092 -0.000 -0.263) 1.123 6.087 ( 10.132 -0.000 3.535) 10.731 7.730 ( -0.691 0.000 -0.125) 0.703 10.039 ( 2.146 -0.000 -0.543) 2.213 10.929 ( -0.672 0.000 6.151) 6.187 10.995 ( -2.470 0.000 -3.101) 3.965 11.302 ( 4.271 -0.000 3.722) 5.666 11.557 ( -0.299 0.000 -0.594) 0.665 11.715 ( -4.770 0.000 -7.024) 8.491 ======================= Grid point 117 (53/129) ======================= q-point: (-0.25 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 0.918 -5.294 -8.508) 10.062 1.456 ( -12.263 -0.079 0.653) 12.281 1.593 ( 5.468 -0.355 4.322) 6.979 1.795 ( -0.034 -4.117 -3.391) 5.334 2.066 ( -6.034 1.006 2.599) 6.646 2.118 ( 6.715 4.370 2.199) 8.308 2.225 ( 6.250 -2.874 1.917) 7.141 2.424 ( 2.136 2.984 -4.768) 6.017 2.489 ( -1.239 -2.351 -6.259) 6.800 2.565 ( 2.155 0.247 4.135) 4.670 2.745 ( -2.438 4.015 -4.273) 6.350 2.811 ( -1.852 -2.149 -3.943) 4.857 2.853 ( -0.752 -2.775 -0.022) 2.875 2.955 ( -1.015 -0.192 -1.579) 1.887 2.965 ( -0.596 0.850 1.022) 1.457 3.116 ( -5.460 1.441 1.772) 5.918 3.207 ( -4.184 0.297 2.708) 4.992 3.320 ( -0.314 0.172 -0.363) 0.510 3.380 ( 1.015 0.287 -0.770) 1.306 3.637 ( 0.142 -3.334 4.400) 5.522 3.695 ( 1.568 6.521 1.120) 6.800 3.830 ( 6.067 2.992 2.855) 7.342 3.904 ( 7.154 -3.218 0.043) 7.845 3.961 ( -7.825 -1.057 -5.101) 9.401 4.034 ( -1.817 -0.526 -3.420) 3.909 4.294 ( -0.285 -0.132 8.321) 8.327 4.673 ( 1.182 3.313 -6.032) 6.983 4.886 ( -8.222 -3.198 -7.854) 11.812 4.989 ( -0.520 5.001 4.873) 7.002 5.105 ( -2.870 -4.103 6.220) 7.985 5.204 ( 3.114 -0.926 0.241) 3.258 5.697 ( 1.897 -0.444 0.771) 2.095 5.864 ( 0.673 1.903 -0.449) 2.067 5.936 ( -0.058 -2.873 -1.202) 3.114 6.256 ( 10.051 -0.589 -0.965) 10.115 7.718 ( -0.693 0.466 0.416) 0.933 10.069 ( 1.580 -0.776 0.011) 1.761 10.908 ( -1.148 4.737 0.409) 4.891 10.991 ( -0.057 -3.020 0.634) 3.086 11.384 ( 2.679 0.702 5.832) 6.456 11.541 ( -1.222 1.699 -0.982) 2.311 11.606 ( -3.815 -2.384 -5.392) 7.022 ======================= Grid point 118 (54/129) ======================= q-point: (-0.12 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -3.285 -10.176 -3.204) 11.163 1.288 ( -13.262 -3.857 1.012) 13.849 1.638 ( 0.117 -5.405 -4.370) 6.952 1.876 ( -5.361 2.022 4.365) 7.203 1.965 ( 2.229 -1.564 -2.405) 3.633 2.205 ( 8.657 5.599 3.869) 11.012 2.304 ( -7.664 0.512 -5.310) 9.338 2.373 ( 6.033 -3.248 0.898) 6.910 2.499 ( -1.827 1.475 -2.105) 3.153 2.527 ( -0.594 0.970 -0.312) 1.179 2.647 ( -6.404 -4.474 -1.328) 7.924 2.768 ( 1.325 2.481 -2.953) 4.079 2.867 ( 0.244 0.670 -3.038) 3.121 2.927 ( -0.586 -0.261 1.572) 1.698 2.999 ( 2.870 -1.581 0.115) 3.279 3.071 ( -2.131 -0.129 4.569) 5.043 3.171 ( -2.040 -0.134 -1.215) 2.378 3.328 ( 0.304 1.341 0.308) 1.409 3.457 ( 6.132 -2.525 4.016) 7.753 3.616 ( -5.374 -0.419 -3.858) 6.629 3.703 ( -2.973 3.160 4.359) 6.150 3.814 ( 1.659 -0.263 -1.207) 2.069 3.864 ( 4.672 5.127 -2.901) 7.519 4.031 ( 4.018 -2.005 4.330) 6.238 4.118 ( 6.666 1.829 5.149) 8.619 4.342 ( -0.433 1.572 6.386) 6.591 4.573 ( -0.802 3.011 -6.217) 6.954 4.761 ( -8.346 -5.057 -8.108) 12.687 4.988 ( -0.782 -0.789 5.756) 5.863 5.176 ( 1.100 -2.668 5.798) 6.476 5.231 ( 1.185 1.855 -1.036) 2.433 5.725 ( 1.233 0.344 -0.402) 1.341 5.830 ( -1.786 1.068 -1.983) 2.874 5.938 ( -2.409 -3.369 -2.370) 4.772 6.341 ( 6.363 2.839 -6.819) 9.749 7.711 ( -0.183 0.496 1.167) 1.282 10.094 ( 0.153 -1.143 0.363) 1.209 10.849 ( -0.130 4.448 -0.641) 4.496 11.018 ( 0.180 -1.145 -0.420) 1.233 11.393 ( -4.359 2.732 2.182) 5.588 11.505 ( 0.811 -0.973 -1.162) 1.719 11.622 ( 2.390 -3.692 2.281) 4.955 ======================= Grid point 125 (55/129) ======================= q-point: (-0.25 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -4.171 0.000 -4.700) 6.284 1.245 ( -16.573 0.000 0.322) 16.576 1.566 ( -1.511 0.000 -6.227) 6.407 1.892 ( 8.394 -0.000 8.147) 11.698 1.970 ( -10.211 0.000 -0.186) 10.213 2.252 ( 7.642 -0.000 3.672) 8.478 2.290 ( -13.446 0.000 -8.152) 15.724 2.367 ( 9.331 -0.000 2.844) 9.755 2.502 ( 4.549 -0.000 -5.160) 6.879 2.524 ( -4.543 0.000 -2.589) 5.229 2.616 ( -6.606 0.000 -1.966) 6.892 2.796 ( 2.804 -0.000 -2.243) 3.591 2.872 ( 3.914 -0.000 -2.604) 4.701 2.936 ( -0.884 0.000 -1.933) 2.126 2.979 ( 1.736 -0.000 2.443) 2.997 3.058 ( -2.902 0.000 -0.578) 2.959 3.190 ( -4.108 0.000 7.524) 8.572 3.350 ( 3.516 -0.000 0.148) 3.519 3.415 ( 1.546 -0.000 3.629) 3.944 3.597 ( -7.992 0.000 -6.658) 10.401 3.709 ( 3.461 -0.000 7.263) 8.045 3.862 ( -0.616 0.000 -0.481) 0.782 3.928 ( -2.741 0.000 -6.327) 6.896 3.998 ( 7.522 -0.000 2.785) 8.021 4.131 ( 10.800 -0.000 8.266) 13.600 4.354 ( 0.548 -0.000 8.339) 8.357 4.650 ( -10.480 0.000 -10.364) 14.739 4.670 ( 0.210 -0.000 -5.849) 5.853 4.990 ( -5.725 0.000 5.027) 7.619 5.118 ( 3.095 -0.000 5.156) 6.014 5.268 ( 3.187 -0.000 0.640) 3.250 5.730 ( 1.704 -0.000 0.259) 1.723 5.845 ( -3.268 0.000 -3.101) 4.505 5.894 ( -1.262 0.000 -1.369) 1.862 6.373 ( 9.604 -0.000 -7.920) 12.449 7.717 ( -0.408 0.000 1.173) 1.242 10.082 ( 0.461 -0.000 0.409) 0.616 10.915 ( 1.459 -0.000 -6.402) 6.566 10.991 ( -1.161 0.000 6.217) 6.325 11.458 ( -5.820 0.000 -6.411) 8.659 11.466 ( 1.967 -0.000 5.144) 5.507 11.570 ( 0.468 -0.000 4.475) 4.499 ======================= Grid point 126 (56/129) ======================= q-point: (-0.12 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -10.481 -7.649 0.641) 12.991 1.014 ( -18.846 -5.876 1.259) 19.781 1.545 ( 1.010 -2.468 -7.618) 8.071 1.699 ( -21.066 -0.987 -9.603) 23.172 1.984 ( -12.936 2.413 4.828) 14.017 2.090 ( -0.736 -4.998 8.208) 9.638 2.405 ( 7.709 0.423 3.608) 8.522 2.449 ( 4.264 3.168 -3.468) 6.344 2.487 ( 2.746 0.687 -3.295) 4.344 2.563 ( 5.456 -2.247 4.487) 7.413 2.623 ( 6.149 2.440 -0.290) 6.622 2.840 ( 5.122 0.255 1.725) 5.411 2.876 ( 2.519 3.389 -6.226) 7.523 2.918 ( -0.464 -1.678 1.614) 2.374 3.021 ( 0.850 -3.840 -2.099) 4.458 3.074 ( 3.176 0.022 2.606) 4.109 3.172 ( -2.854 2.935 5.657) 6.983 3.358 ( -0.929 4.657 1.002) 4.853 3.427 ( -3.932 -1.700 -8.746) 9.739 3.525 ( 0.904 -7.862 6.095) 9.989 3.754 ( -2.318 8.308 0.925) 8.675 3.889 ( 3.801 -3.276 6.204) 7.979 3.897 ( 4.033 -0.599 -3.100) 5.122 4.102 ( 2.158 -0.475 1.149) 2.491 4.177 ( -6.682 1.061 -6.052) 9.078 4.437 ( 3.537 1.911 9.418) 10.240 4.528 ( 0.860 -1.632 -0.537) 1.921 4.617 ( -1.309 0.553 -5.360) 5.545 4.978 ( -2.387 -2.235 5.913) 6.757 5.220 ( 4.208 -1.468 5.140) 6.802 5.282 ( 0.559 2.925 0.764) 3.075 5.733 ( -1.696 0.915 -2.360) 3.047 5.753 ( -3.958 -0.901 -3.884) 5.618 5.873 ( -1.480 -1.081 -0.802) 2.001 6.387 ( 5.495 3.396 -16.163) 17.406 7.723 ( -0.086 0.162 1.640) 1.651 10.083 ( -1.113 -0.356 0.186) 1.183 10.883 ( 2.092 2.844 -4.361) 5.611 11.017 ( -0.915 0.098 3.822) 3.932 11.326 ( -5.717 1.276 -3.921) 7.049 11.510 ( 1.002 -0.533 0.218) 1.156 11.667 ( 3.142 -4.058 9.793) 11.056 ======================= Grid point 134 (57/129) ======================= q-point: (-0.12 -0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -15.873 0.000 9.681) 18.592 0.680 ( -22.743 0.000 1.858) 22.819 1.157 ( -36.821 0.000 -3.486) 36.986 1.565 ( 7.294 -0.000 -6.606) 9.840 1.881 ( -9.013 0.000 7.046) 11.440 2.129 ( -2.570 0.000 8.629) 9.004 2.436 ( 2.931 -0.000 -2.408) 3.793 2.510 ( 3.190 -0.000 -3.978) 5.099 2.600 ( 8.033 -0.000 -0.243) 8.037 2.704 ( 6.351 -0.000 3.972) 7.491 2.750 ( 9.436 -0.000 1.116) 9.501 2.867 ( 0.987 -0.000 -6.529) 6.604 2.939 ( 4.566 -0.000 1.726) 4.882 2.965 ( 5.361 -0.000 3.553) 6.431 2.980 ( 1.876 -0.000 0.758) 2.023 3.151 ( 3.961 -0.000 2.233) 4.547 3.190 ( -2.935 0.000 5.270) 6.032 3.315 ( -1.130 0.000 -5.737) 5.847 3.420 ( 1.627 -0.000 0.950) 1.884 3.506 ( -2.472 0.000 8.615) 8.963 3.774 ( -2.525 0.000 -3.541) 4.349 3.857 ( -0.071 0.000 0.412) 0.418 3.910 ( -13.622 0.000 -14.772) 20.094 4.038 ( 3.068 -0.000 -4.954) 5.827 4.129 ( 4.483 -0.000 17.992) 18.542 4.529 ( 1.965 -0.000 -3.576) 4.080 4.585 ( 3.249 -0.000 2.585) 4.152 4.597 ( -0.598 0.000 4.732) 4.770 5.006 ( 1.143 -0.000 7.085) 7.177 5.319 ( 4.644 -0.000 4.260) 6.302 5.320 ( 0.365 -0.000 7.818) 7.827 5.616 ( -6.067 0.000 -4.906) 7.803 5.728 ( 0.054 -0.000 -1.907) 1.908 5.847 ( -1.379 0.000 -0.212) 1.395 6.283 ( -2.297 0.000 -29.418) 29.508 7.732 ( -0.348 0.000 1.167) 1.218 10.054 ( -2.691 0.000 0.349) 2.713 10.904 ( 3.491 -0.000 -4.479) 5.679 11.042 ( -1.020 0.000 5.139) 5.239 11.227 ( -3.835 0.000 -5.173) 6.439 11.520 ( 0.667 -0.000 -0.291) 0.727 11.769 ( 3.631 -0.000 10.192) 10.820 ======================= Grid point 135 (58/129) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.653 -0.000 21.300) 21.310 0.976 ( -3.441 0.000 23.242) 23.496 1.561 ( 12.362 -0.000 33.188) 35.415 1.629 ( 5.469 -0.000 -2.482) 6.006 1.637 ( -7.030 0.000 -0.314) 7.037 2.155 ( -1.023 0.000 -4.014) 4.142 2.264 ( -3.757 0.000 -6.049) 7.121 2.388 ( -3.447 0.000 -13.583) 14.013 2.546 ( -0.678 0.000 -4.868) 4.915 2.574 ( 4.465 -0.000 3.073) 5.421 2.682 ( 0.381 -0.000 -4.022) 4.040 2.859 ( -2.679 0.000 -1.773) 3.212 2.890 ( -0.606 0.000 -3.084) 3.143 3.034 ( -4.251 0.000 -1.353) 4.461 3.096 ( 2.208 -0.000 -0.041) 2.209 3.191 ( -2.162 0.000 -1.948) 2.910 3.198 ( -0.519 0.000 -4.503) 4.533 3.374 ( -0.967 0.000 -1.376) 1.682 3.489 ( -4.358 0.000 9.481) 10.434 3.528 ( -2.344 0.000 -9.023) 9.323 3.710 ( 7.449 -0.000 1.347) 7.570 3.754 ( 0.978 -0.000 9.099) 9.152 3.939 ( -4.439 0.000 -17.464) 18.019 4.045 ( -0.172 0.000 0.786) 0.804 4.124 ( 10.616 -0.000 8.138) 13.376 4.421 ( -2.987 0.000 -1.305) 3.260 4.540 ( -9.026 0.000 -2.779) 9.444 4.650 ( -1.052 0.000 3.178) 3.348 5.167 ( -7.098 0.000 3.782) 8.042 5.175 ( -6.381 0.000 -9.046) 11.070 5.406 ( 0.634 -0.000 0.244) 0.680 5.627 ( 7.622 -0.000 8.913) 11.727 5.792 ( 1.751 -0.000 1.042) 2.038 5.846 ( 0.133 -0.000 1.417) 1.423 6.630 ( 17.301 -0.000 -3.245) 17.603 7.699 ( -0.074 0.000 -0.773) 0.777 10.276 ( 9.216 -0.000 0.171) 9.218 10.949 ( -4.073 0.000 -0.603) 4.118 10.987 ( -3.928 0.000 -0.819) 4.012 11.190 ( -11.987 0.000 1.471) 12.076 11.208 ( 3.923 -0.000 0.810) 4.006 11.514 ( 0.412 -0.000 -0.681) 0.796 ======================= Grid point 136 (59/129) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 3.354 0.276 19.283) 19.574 1.178 ( 2.797 -7.747 19.587) 21.249 1.564 ( -0.148 2.187 -1.287) 2.542 1.677 ( 1.848 -2.432 -3.159) 4.394 1.996 ( 13.464 1.872 14.886) 20.159 2.137 ( 4.530 -2.829 -2.037) 5.716 2.160 ( -6.770 -0.869 -0.398) 6.837 2.270 ( 0.169 0.176 -8.509) 8.512 2.511 ( -0.884 -1.647 -1.131) 2.184 2.605 ( 1.396 5.087 -0.726) 5.325 2.696 ( 3.781 -3.475 -1.000) 5.232 2.844 ( -2.380 -1.978 0.894) 3.221 2.855 ( 1.030 2.071 -3.434) 4.140 2.984 ( -2.770 -0.649 0.379) 2.870 3.089 ( -1.528 2.678 0.406) 3.110 3.123 ( -4.561 0.992 -0.198) 4.672 3.179 ( 0.726 0.489 -3.336) 3.449 3.307 ( -2.641 -1.950 -4.103) 5.255 3.428 ( -0.929 4.084 -0.049) 4.188 3.516 ( -2.948 -1.411 -0.039) 3.269 3.669 ( -9.182 1.309 -8.678) 12.701 3.785 ( -2.168 -0.130 3.886) 4.451 3.841 ( 6.590 -1.691 0.223) 6.807 4.138 ( 5.787 1.243 0.187) 5.922 4.264 ( -1.404 -4.047 -1.479) 4.532 4.339 ( -4.582 0.727 0.789) 4.706 4.481 ( 0.226 -0.107 -0.508) 0.567 4.714 ( 4.232 -0.902 8.878) 9.876 5.007 ( -3.672 2.394 -6.433) 7.785 5.153 ( -4.000 -3.468 3.450) 6.320 5.405 ( -0.064 0.814 -0.085) 0.821 5.733 ( 2.563 2.288 3.124) 4.644 5.810 ( -0.617 -0.869 0.728) 1.290 5.868 ( 1.225 -0.640 1.207) 1.836 6.684 ( 2.468 5.960 -8.326) 10.532 7.694 ( -0.077 0.075 -0.506) 0.517 10.330 ( 4.158 7.824 -2.202) 9.130 10.804 ( -9.375 -1.018 1.940) 9.628 10.953 ( -2.794 -3.549 -0.365) 4.532 11.212 ( 5.919 -0.325 4.902) 7.692 11.318 ( 4.257 -6.456 -2.150) 8.026 11.519 ( 0.500 -0.503 -0.542) 0.893 ======================= Grid point 137 (60/129) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 3.760 1.149 13.269) 13.839 1.432 ( 2.968 -7.743 13.768) 16.072 1.574 ( 3.939 1.019 -0.362) 4.085 1.676 ( -1.174 -3.934 -4.337) 5.972 1.990 ( 5.759 7.469 -13.094) 16.137 2.102 ( -3.766 -2.472 2.471) 5.138 2.204 ( -1.098 -0.764 -0.425) 1.404 2.356 ( 3.446 -0.834 -1.447) 3.829 2.555 ( 0.591 -0.906 0.655) 1.265 2.612 ( 5.450 1.853 3.746) 6.868 2.761 ( -0.988 -3.116 -0.459) 3.300 2.825 ( 0.919 2.166 0.359) 2.380 2.854 ( 2.439 -0.158 0.146) 2.448 2.957 ( -2.299 0.945 0.077) 2.487 3.063 ( -0.092 1.198 6.854) 6.959 3.075 ( -1.899 -0.378 2.079) 2.841 3.149 ( -0.480 -0.187 -3.789) 3.824 3.302 ( 2.000 -2.725 -1.026) 3.532 3.398 ( 1.835 1.720 -1.571) 2.965 3.455 ( -3.211 3.129 -0.740) 4.544 3.537 ( -5.050 -2.940 -1.853) 6.130 3.814 ( 2.757 -0.651 3.605) 4.585 3.925 ( 3.265 0.013 -2.152) 3.910 4.114 ( -6.509 0.956 -6.922) 9.550 4.135 ( -9.155 -0.442 -3.399) 9.775 4.347 ( 2.104 1.353 4.662) 5.291 4.490 ( 0.218 -0.076 0.367) 0.434 4.879 ( 6.196 -1.506 5.503) 8.422 4.950 ( 1.279 -0.761 -1.230) 1.930 5.164 ( -2.659 -1.780 5.318) 6.207 5.374 ( -2.487 2.417 0.257) 3.477 5.738 ( 1.313 0.565 -1.709) 2.228 5.791 ( -2.491 0.379 -0.781) 2.638 5.912 ( 1.933 -1.956 0.327) 2.769 6.526 ( -5.139 7.459 -8.305) 12.289 7.691 ( -0.039 -0.248 0.139) 0.287 10.257 ( -0.722 7.294 0.068) 7.330 10.750 ( -2.494 -1.928 -0.192) 3.158 10.959 ( -1.833 -4.301 -0.339) 4.688 11.348 ( 4.589 -1.682 5.995) 7.735 11.414 ( 5.737 -3.016 -4.066) 7.651 11.532 ( 0.702 -1.052 -0.329) 1.307 ======================= Grid point 138 (61/129) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -0.093 8.115 4.451) 9.256 1.513 ( -4.740 -1.093 3.561) 6.029 1.637 ( 4.472 -2.106 1.206) 5.088 1.751 ( 3.028 -5.580 -4.258) 7.645 1.935 ( 8.259 4.618 -5.804) 11.100 2.129 ( -4.911 -1.188 0.658) 5.096 2.174 ( 0.530 -3.011 4.247) 5.233 2.363 ( 1.609 -1.078 -3.791) 4.257 2.538 ( -2.125 1.016 1.371) 2.725 2.629 ( -3.109 2.104 2.458) 4.487 2.741 ( 1.823 5.921 -0.210) 6.198 2.828 ( -2.193 -4.957 -3.603) 6.508 2.857 ( -0.901 3.670 -2.431) 4.493 2.939 ( 1.056 -0.563 2.513) 2.784 3.079 ( -1.138 2.162 1.659) 2.953 3.107 ( -0.038 -0.486 3.501) 3.535 3.143 ( 1.304 -1.454 -4.069) 4.513 3.351 ( -2.481 3.122 0.677) 4.045 3.420 ( 4.584 -2.649 -4.408) 6.889 3.470 ( 8.147 0.895 6.120) 10.229 3.550 ( 1.030 -6.217 5.897) 8.631 3.816 ( -12.117 3.251 -10.662) 16.464 3.883 ( -0.533 -1.336 -3.068) 3.388 3.984 ( 6.420 -2.573 4.164) 8.073 4.112 ( -0.001 0.440 3.671) 3.697 4.384 ( 0.246 1.807 4.934) 5.260 4.493 ( -0.057 -0.394 -0.011) 0.398 4.879 ( -3.696 -0.338 -7.490) 8.359 5.062 ( 5.917 1.649 7.722) 9.867 5.180 ( -2.441 -0.919 5.088) 5.717 5.311 ( -2.498 1.163 0.904) 2.900 5.732 ( -2.769 0.808 -1.901) 3.454 5.754 ( 1.524 -1.745 -2.559) 3.452 5.954 ( 1.263 -1.655 -1.666) 2.667 6.306 ( -7.070 5.128 -8.394) 12.113 7.701 ( 0.365 -0.583 0.663) 0.955 10.188 ( -1.099 4.307 0.950) 4.545 10.746 ( -0.130 -1.788 -1.587) 2.395 10.978 ( -1.666 -4.081 0.813) 4.482 11.413 ( -0.003 -0.297 0.553) 0.628 11.497 ( 3.763 0.321 0.494) 3.808 11.574 ( 4.557 -1.844 0.022) 4.916 ======================= Grid point 139 (62/129) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -4.424 9.994 0.269) 10.932 1.470 ( -4.395 5.889 5.957) 9.460 1.665 ( -0.092 1.309 -3.121) 3.386 1.686 ( -8.041 -0.867 -10.206) 13.022 2.065 ( 5.879 0.494 4.946) 7.699 2.097 ( 6.211 -4.608 -0.132) 7.735 2.300 ( 2.461 -3.809 3.090) 5.487 2.380 ( -0.322 -2.571 0.788) 2.708 2.502 ( -5.675 0.043 2.374) 6.152 2.578 ( -1.016 3.216 3.959) 5.201 2.685 ( -3.852 1.187 -2.431) 4.707 2.778 ( -1.630 1.721 -3.148) 3.940 2.832 ( 4.618 3.777 0.599) 5.996 2.967 ( -1.732 -0.553 1.608) 2.427 3.035 ( 1.374 3.252 0.467) 3.561 3.096 ( -0.991 -0.779 -3.928) 4.126 3.139 ( 0.126 1.054 0.848) 1.358 3.326 ( -0.881 0.274 1.445) 1.715 3.427 ( -1.698 -1.293 -6.671) 7.004 3.558 ( -6.477 0.091 -7.557) 9.953 3.645 ( 10.241 -3.260 1.261) 10.821 3.724 ( 5.424 -2.134 5.330) 7.898 3.890 ( 1.024 -2.516 -1.612) 3.159 4.112 ( 2.239 -0.145 3.254) 3.952 4.203 ( 5.644 -0.150 6.395) 8.531 4.402 ( -0.151 -0.707 5.182) 5.232 4.510 ( 1.641 -0.800 1.654) 2.464 4.716 ( -7.274 4.089 -5.793) 10.158 5.107 ( -1.219 1.758 -0.713) 2.255 5.229 ( 3.023 -0.595 7.479) 8.089 5.304 ( -0.957 0.153 3.864) 3.984 5.681 ( -1.448 -0.688 -3.218) 3.595 5.755 ( -1.495 -0.684 -3.090) 3.500 5.935 ( -1.860 1.019 -2.715) 3.446 6.145 ( -3.356 -0.894 -8.080) 8.795 7.720 ( 0.543 -0.668 0.784) 1.165 10.148 ( -1.578 1.865 1.462) 2.847 10.757 ( 1.740 -1.045 -2.729) 3.401 11.006 ( -2.019 -4.137 2.764) 5.370 11.383 ( -1.750 2.395 -1.614) 3.377 11.518 ( 0.603 0.572 0.341) 0.898 11.679 ( 6.203 -1.149 0.695) 6.346 ======================= Grid point 140 (63/129) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -7.618 9.407 4.051) 12.764 1.279 ( -15.314 10.653 2.120) 18.775 1.498 ( -6.182 3.266 0.502) 7.009 1.628 ( -1.880 -0.794 -2.600) 3.306 2.139 ( -9.501 4.077 7.671) 12.874 2.245 ( 0.997 0.381 -0.919) 1.409 2.290 ( 8.342 -3.302 -2.602) 9.341 2.428 ( 1.207 -2.869 1.840) 3.616 2.439 ( -2.456 -0.898 1.096) 2.835 2.591 ( -0.499 1.532 -0.261) 1.632 2.655 ( 4.458 -0.550 2.518) 5.149 2.739 ( 0.817 -0.945 -1.500) 1.952 2.925 ( 4.667 0.494 2.019) 5.109 2.976 ( 3.210 -1.650 1.976) 4.115 3.033 ( 1.434 3.616 -4.840) 6.210 3.093 ( 2.286 -2.038 2.694) 4.079 3.141 ( -0.810 -1.898 -0.279) 2.082 3.285 ( -1.127 1.655 -3.737) 4.240 3.344 ( -3.212 -2.345 -1.367) 4.205 3.554 ( 3.400 -3.650 -2.033) 5.387 3.749 ( -1.004 -1.666 -5.519) 5.852 3.811 ( 4.942 0.856 -1.430) 5.215 3.911 ( 0.467 1.105 2.095) 2.414 4.136 ( -4.355 3.789 -5.285) 7.826 4.222 ( 3.306 1.220 7.088) 7.916 4.501 ( 4.101 -4.179 2.173) 6.246 4.560 ( -1.073 3.508 0.478) 3.700 4.611 ( 1.268 -1.092 5.789) 6.026 5.056 ( -1.490 0.193 -1.251) 1.955 5.315 ( -1.199 -0.439 2.759) 3.040 5.351 ( 4.958 0.233 9.456) 10.679 5.619 ( -4.748 -0.446 -6.800) 8.305 5.714 ( 0.417 -0.623 -0.626) 0.977 5.893 ( -1.126 0.695 0.417) 1.387 6.065 ( -3.132 -1.717 -9.151) 9.823 7.736 ( 0.143 -0.489 0.273) 0.578 10.120 ( -2.764 0.106 2.101) 3.473 10.782 ( 3.966 -0.123 -3.001) 4.975 11.041 ( -2.506 -4.202 4.014) 6.328 11.298 ( -3.385 4.005 -2.225) 5.696 11.520 ( 0.347 0.611 0.044) 0.704 11.766 ( 4.791 -0.511 -1.964) 5.203 ======================= Grid point 141 (64/129) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -10.505 6.254 12.583) 17.544 0.972 ( -16.368 7.397 10.663) 20.889 1.417 ( -6.950 6.878 12.091) 15.550 1.582 ( 1.865 5.768 -2.081) 6.410 1.904 ( -16.373 1.916 6.136) 17.590 2.241 ( 0.063 0.059 -3.632) 3.633 2.385 ( -1.830 -1.473 -1.456) 2.764 2.445 ( 3.075 -0.192 -0.455) 3.114 2.497 ( 4.865 -4.183 -5.623) 8.531 2.599 ( 1.858 0.040 -2.754) 3.322 2.726 ( 3.322 0.055 -2.281) 4.031 2.845 ( 6.821 -4.378 4.271) 9.161 2.934 ( 1.973 2.174 -2.330) 3.748 2.990 ( 1.572 0.757 -1.240) 2.141 3.047 ( 1.874 -1.371 -2.585) 3.475 3.170 ( -0.448 -3.481 1.632) 3.871 3.186 ( -0.196 -6.273 -0.767) 6.323 3.309 ( 7.425 1.870 3.318) 8.345 3.371 ( 2.675 -3.003 5.849) 7.098 3.607 ( -10.553 -1.211 -10.982) 15.279 3.648 ( 4.272 -4.034 0.377) 5.888 3.795 ( -0.003 6.297 2.159) 6.657 3.874 ( -2.808 5.984 -4.715) 8.119 3.979 ( 0.107 5.234 -3.621) 6.365 4.334 ( 1.043 -4.292 1.420) 4.639 4.504 ( -2.513 2.251 -1.097) 3.547 4.606 ( -0.882 -4.382 2.111) 4.943 4.701 ( 9.969 2.686 3.256) 10.826 5.069 ( 0.570 -2.639 4.333) 5.105 5.315 ( -2.327 -2.562 -0.502) 3.498 5.478 ( 2.777 -0.065 5.487) 6.150 5.511 ( -3.117 0.135 -5.252) 6.109 5.764 ( 3.418 0.988 1.450) 3.842 5.875 ( -1.339 2.378 -0.970) 2.896 5.975 ( -0.578 -1.687 2.223) 2.850 7.734 ( -0.703 -0.101 -0.630) 0.949 10.102 ( -2.784 -1.294 3.576) 4.713 10.833 ( 5.895 0.304 -2.389) 6.368 11.076 ( -2.350 -4.362 3.715) 6.193 11.184 ( -4.531 4.049 -1.738) 6.320 11.518 ( 0.283 0.545 -0.288) 0.679 11.768 ( -0.401 1.673 -8.323) 8.499 ======================= Grid point 142 (65/129) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -4.894 4.168 20.270) 21.265 0.886 ( -7.331 -0.654 22.834) 23.991 1.335 ( -6.014 11.232 28.127) 30.878 1.577 ( 6.838 4.495 -2.519) 8.562 1.754 ( -11.346 -4.161 0.304) 12.089 2.202 ( -0.891 0.671 -3.926) 4.081 2.342 ( -2.921 -1.162 -4.114) 5.178 2.481 ( 1.815 -3.978 -3.439) 5.563 2.516 ( -1.259 -2.510 -7.251) 7.776 2.605 ( 1.810 1.794 -5.318) 5.897 2.686 ( 3.057 4.778 -4.256) 7.092 2.910 ( 0.050 0.479 -1.277) 1.364 2.921 ( -0.265 1.388 -2.305) 2.704 3.042 ( 2.643 -1.246 -0.357) 2.943 3.134 ( -5.622 -2.194 -2.332) 6.470 3.172 ( 3.472 -7.092 -0.769) 7.934 3.238 ( 2.073 -4.582 0.513) 5.056 3.336 ( -5.882 -0.526 -6.155) 8.530 3.478 ( 6.786 6.944 7.650) 12.361 3.542 ( 3.015 -7.535 4.853) 9.456 3.675 ( -2.912 2.671 -1.265) 4.149 3.711 ( -1.287 5.560 -2.661) 6.297 3.868 ( 8.589 -3.098 4.448) 10.157 3.957 ( 3.943 4.246 1.455) 5.974 4.271 ( -7.464 0.342 -13.154) 15.128 4.448 ( -0.699 0.093 -1.661) 1.804 4.620 ( -3.517 -4.409 1.121) 5.751 4.748 ( -2.982 4.593 -3.787) 6.658 5.200 ( -2.425 -8.058 2.218) 8.702 5.322 ( 3.644 -0.720 5.131) 6.335 5.391 ( -7.907 4.826 -4.255) 10.194 5.485 ( 2.275 0.849 0.528) 2.485 5.757 ( 2.081 1.996 0.859) 3.009 5.843 ( -0.753 0.281 1.203) 1.447 6.255 ( 21.278 -4.131 12.744) 25.144 7.714 ( -0.988 0.113 -0.961) 1.383 10.143 ( 2.235 -2.816 4.845) 6.033 10.908 ( 6.354 0.162 -1.345) 6.497 11.067 ( -4.059 2.178 -2.400) 5.195 11.125 ( -1.865 -5.316 4.001) 6.909 11.510 ( -1.291 0.951 -1.865) 2.460 11.553 ( -11.958 7.604 -9.743) 17.197 ======================= Grid point 144 (66/129) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 2.326 -0.000 17.052) 17.210 1.333 ( 6.734 -0.000 16.018) 17.376 1.591 ( 5.406 -0.000 -4.303) 6.909 1.633 ( -2.843 0.000 -4.411) 5.248 2.059 ( -4.922 0.000 -1.539) 5.157 2.104 ( 3.293 -0.000 -6.070) 6.906 2.199 ( 1.439 -0.000 -3.047) 3.369 2.359 ( 9.526 -0.000 3.838) 10.270 2.474 ( -0.491 0.000 -2.572) 2.618 2.687 ( 1.930 -0.000 1.892) 2.703 2.717 ( 0.959 -0.000 1.026) 1.404 2.814 ( -0.172 0.000 2.466) 2.472 2.884 ( 4.495 -0.000 -2.988) 5.398 2.955 ( -1.244 0.000 1.558) 1.994 3.056 ( -3.392 0.000 0.246) 3.401 3.093 ( -2.143 0.000 6.080) 6.447 3.185 ( 0.621 -0.000 -2.077) 2.168 3.240 ( 0.725 -0.000 -1.438) 1.610 3.434 ( -3.974 0.000 4.753) 6.196 3.457 ( 1.780 -0.000 -6.528) 6.766 3.527 ( -6.756 0.000 -1.739) 6.976 3.807 ( 2.715 -0.000 3.312) 4.282 3.934 ( 6.332 -0.000 -1.193) 6.444 4.108 ( -11.530 0.000 -7.340) 13.668 4.127 ( -4.830 0.000 -3.749) 6.114 4.370 ( 4.163 -0.000 3.590) 5.497 4.493 ( -0.084 0.000 1.953) 1.955 4.857 ( 3.994 -0.000 2.487) 4.705 4.946 ( 1.962 -0.000 2.035) 2.827 5.143 ( -1.731 0.000 6.594) 6.817 5.396 ( -1.920 0.000 -0.443) 1.971 5.766 ( -0.060 0.000 -2.102) 2.103 5.776 ( -2.445 0.000 -0.893) 2.603 5.889 ( 1.371 -0.000 0.334) 1.411 6.607 ( -6.571 0.000 -10.226) 12.155 7.690 ( -0.023 0.000 -0.218) 0.219 10.354 ( -4.169 0.000 -0.621) 4.215 10.738 ( 0.604 -0.000 -2.545) 2.615 10.888 ( -2.857 0.000 0.849) 2.980 11.329 ( 5.265 -0.000 5.927) 7.927 11.379 ( 7.683 -0.000 -0.910) 7.737 11.522 ( 0.658 -0.000 -0.427) 0.785 ======================= Grid point 145 (67/129) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.172 0.798 7.918) 7.960 1.507 ( 0.293 1.324 5.435) 5.601 1.571 ( 0.140 -4.349 3.836) 5.801 1.672 ( 8.865 -1.153 -4.218) 9.885 2.011 ( -0.385 -0.293 -1.655) 1.725 2.105 ( 3.519 2.468 -2.395) 4.920 2.189 ( -1.063 1.513 -0.676) 1.969 2.370 ( 1.737 3.023 -5.166) 6.233 2.500 ( -0.829 -5.713 -3.995) 7.021 2.652 ( -6.184 -0.109 1.207) 6.302 2.702 ( -2.130 -2.594 -1.756) 3.788 2.872 ( 0.562 2.916 0.710) 3.054 2.903 ( 2.198 2.137 -1.991) 3.655 2.966 ( 1.814 2.613 4.200) 5.269 3.072 ( 1.641 -3.674 4.041) 5.703 3.099 ( -0.972 0.428 1.258) 1.647 3.154 ( 1.389 2.429 -0.417) 2.829 3.332 ( 4.516 -4.402 -2.701) 6.860 3.409 ( -3.927 2.359 0.600) 4.620 3.458 ( 0.399 -2.202 4.308) 4.854 3.529 ( 9.384 1.991 6.821) 11.771 3.826 ( -12.457 -0.635 -10.125) 16.065 3.885 ( -0.017 -0.556 -0.812) 0.984 3.989 ( 3.792 4.089 0.396) 5.591 4.080 ( 0.291 -3.501 0.569) 3.559 4.436 ( 2.577 1.766 2.302) 3.881 4.495 ( -1.497 0.605 2.846) 3.272 4.849 ( -0.373 -1.524 -5.875) 6.081 5.080 ( 5.378 0.237 9.378) 10.813 5.167 ( -2.421 -0.294 6.370) 6.821 5.336 ( -4.480 0.868 -0.592) 4.601 5.729 ( -1.945 -0.537 -1.344) 2.425 5.739 ( -0.223 -0.010 -5.059) 5.064 5.915 ( 1.255 -1.413 -0.695) 2.014 6.389 ( -10.689 2.444 -10.097) 14.906 7.694 ( 0.437 -0.156 0.345) 0.578 10.268 ( -4.893 2.669 1.386) 5.743 10.738 ( 2.835 0.884 -3.947) 4.939 10.885 ( -1.819 -4.113 0.763) 4.561 11.425 ( 2.496 1.174 4.916) 5.637 11.494 ( 7.415 -0.837 -0.955) 7.523 11.535 ( 1.567 -1.193 -0.063) 1.970 ======================= Grid point 146 (68/129) ======================= q-point: (-0.62 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -6.480 1.557 -5.263) 8.492 1.533 ( -1.562 1.422 9.294) 9.531 1.677 ( 1.505 0.975 4.107) 4.481 1.731 ( 2.500 2.436 -8.867) 9.529 2.023 ( 3.971 -0.909 0.218) 4.080 2.110 ( 0.861 1.543 -1.564) 2.360 2.195 ( 3.028 -3.689 3.896) 6.160 2.365 ( 2.161 1.040 -1.412) 2.783 2.464 ( -6.208 -2.167 0.514) 6.596 2.584 ( -5.035 -2.120 1.468) 5.657 2.726 ( 0.172 -7.079 -4.202) 8.234 2.776 ( -4.430 5.537 -0.192) 7.094 2.866 ( -1.185 2.370 -2.036) 3.342 3.013 ( 2.858 1.615 2.295) 4.006 3.076 ( -1.308 1.296 -1.294) 2.250 3.117 ( 1.174 0.949 -0.193) 1.522 3.188 ( 2.252 3.869 2.945) 5.358 3.322 ( -1.505 0.190 -3.694) 3.994 3.399 ( 1.418 -1.215 -2.569) 3.175 3.545 ( -7.969 -0.362 -4.613) 9.215 3.613 ( 8.902 -1.971 5.423) 10.608 3.736 ( 7.036 2.976 3.938) 8.595 3.830 ( -0.119 -2.029 -4.366) 4.815 4.099 ( 4.053 -1.282 0.018) 4.250 4.168 ( 5.735 -2.198 10.086) 11.809 4.442 ( -1.063 2.902 3.924) 4.995 4.498 ( 1.313 -0.182 0.352) 1.372 4.777 ( -4.085 1.807 -5.937) 7.429 5.125 ( -4.429 0.435 -0.221) 4.456 5.217 ( 3.640 -1.215 7.543) 8.463 5.302 ( -1.090 0.240 4.418) 4.557 5.680 ( -1.755 0.308 -3.679) 4.088 5.726 ( -0.739 -1.853 -2.397) 3.118 5.930 ( -0.382 -1.183 -2.247) 2.568 6.144 ( -9.884 0.772 -8.723) 13.205 7.709 ( 0.710 -0.391 0.600) 1.009 10.191 ( -3.887 2.029 1.346) 4.587 10.751 ( 3.487 0.633 -2.802) 4.518 10.915 ( -1.368 -4.558 1.288) 4.930 11.443 ( -0.439 3.224 2.558) 4.139 11.530 ( 1.058 0.553 -0.295) 1.230 11.637 ( 6.720 -2.748 -0.691) 7.293 ======================= Grid point 147 (69/129) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -5.873 2.487 -2.843) 6.983 1.487 ( -12.817 9.171 -6.275) 16.963 1.540 ( -3.202 3.926 8.986) 10.315 1.678 ( -0.512 5.270 -1.457) 5.491 2.149 ( 2.407 -3.908 -0.509) 4.618 2.159 ( 7.327 -5.134 1.162) 9.022 2.298 ( 0.964 -2.206 0.367) 2.435 2.359 ( -1.712 1.627 2.023) 3.110 2.414 ( -4.582 -2.609 3.444) 6.298 2.603 ( -0.258 -3.759 2.116) 4.322 2.654 ( -1.401 2.740 0.679) 3.151 2.745 ( -1.536 0.888 -1.547) 2.355 2.869 ( 2.544 -5.458 -2.074) 6.369 2.988 ( -1.345 4.485 -0.465) 4.705 3.042 ( -1.479 -0.999 -1.434) 2.289 3.127 ( 1.834 1.751 -0.525) 2.590 3.192 ( 2.848 5.926 2.116) 6.907 3.270 ( -2.955 -0.764 0.164) 3.056 3.344 ( 0.180 1.133 -9.597) 9.665 3.502 ( 1.962 -2.234 1.059) 3.156 3.725 ( -1.603 -0.523 -7.412) 7.602 3.806 ( 10.280 0.791 0.195) 10.312 3.939 ( 5.510 -0.163 7.746) 9.507 4.137 ( 1.572 -1.171 -0.228) 1.973 4.287 ( -0.641 2.168 0.714) 2.371 4.448 ( 0.705 -0.105 5.535) 5.580 4.551 ( 4.302 -2.162 1.626) 5.082 4.659 ( -2.853 3.238 -0.576) 4.354 5.056 ( -2.859 -0.086 -2.240) 3.633 5.303 ( -1.267 -1.344 2.130) 2.819 5.357 ( 3.768 0.328 10.341) 11.010 5.615 ( -3.067 0.278 -6.275) 6.990 5.702 ( -1.340 -0.766 -1.031) 1.856 5.890 ( -2.660 -0.568 -0.887) 2.861 6.011 ( -4.555 -3.223 -5.895) 8.117 7.726 ( 0.474 -0.437 0.314) 0.717 10.130 ( -3.778 0.825 1.037) 4.004 10.788 ( 4.911 0.719 -1.865) 5.303 10.953 ( -1.676 -4.213 2.704) 5.279 11.388 ( -3.290 4.523 1.064) 5.693 11.534 ( 0.609 0.695 -0.204) 0.947 11.740 ( 5.670 -2.013 -3.104) 6.770 ======================= Grid point 148 (70/129) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -5.169 7.582 3.271) 9.742 1.147 ( -14.982 10.729 3.100) 18.686 1.519 ( -4.072 1.167 7.418) 8.543 1.622 ( 1.484 4.562 0.661) 4.843 2.123 ( -9.869 13.609 6.339) 17.966 2.176 ( -3.791 -5.284 -4.822) 8.096 2.332 ( 1.807 -5.361 -1.366) 5.820 2.388 ( 0.591 -3.270 0.663) 3.388 2.460 ( 3.994 -1.387 0.501) 4.257 2.591 ( 0.148 -0.291 1.101) 1.149 2.665 ( 0.382 -2.083 -0.755) 2.248 2.814 ( 6.996 -2.397 2.598) 7.838 2.941 ( 1.615 -2.771 -2.686) 4.183 2.964 ( -0.444 -3.600 -1.233) 3.831 3.019 ( 0.352 0.990 -1.505) 1.836 3.101 ( -2.932 -2.350 -0.649) 3.813 3.171 ( 2.861 3.592 -1.865) 4.956 3.240 ( -2.261 -2.565 -3.550) 4.929 3.388 ( 6.780 1.083 3.552) 7.730 3.585 ( 3.765 -1.915 3.043) 5.206 3.622 ( -1.652 1.379 -7.698) 7.993 3.888 ( 4.086 3.066 -2.775) 5.814 3.990 ( -1.220 4.576 -1.251) 4.898 4.082 ( -1.352 4.836 -2.228) 5.494 4.278 ( -0.514 -0.770 2.286) 2.467 4.473 ( -2.225 -3.726 -1.240) 4.514 4.592 ( -0.898 1.952 0.800) 2.293 4.720 ( 9.006 -1.660 4.040) 10.010 5.024 ( -1.592 -1.185 0.280) 2.004 5.284 ( -3.265 -0.709 0.448) 3.372 5.484 ( 3.076 0.138 7.439) 8.051 5.518 ( -2.246 0.413 -4.327) 4.893 5.741 ( 4.056 -2.121 2.249) 5.100 5.886 ( -0.859 -1.567 1.903) 2.611 5.934 ( -4.452 -2.295 -2.428) 5.566 7.732 ( -0.189 -0.119 -0.369) 0.431 10.083 ( -3.521 -0.505 1.417) 3.829 10.850 ( 6.511 1.240 -1.232) 6.741 10.987 ( -2.579 -3.899 3.911) 6.095 11.280 ( -5.425 4.944 0.293) 7.345 11.531 ( 0.348 0.766 -0.239) 0.875 11.783 ( 3.394 -0.242 -7.628) 8.353 ======================= Grid point 149 (71/129) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -3.764 7.268 13.536) 15.818 0.964 ( -4.384 8.668 14.626) 17.558 1.523 ( -1.707 -1.346 5.995) 6.377 1.639 ( 2.175 5.569 9.429) 11.165 1.856 ( -8.562 16.991 6.656) 20.157 2.153 ( -1.824 -6.483 -7.951) 10.420 2.330 ( -2.221 -0.694 -3.031) 3.821 2.402 ( -2.391 -1.395 -0.993) 2.941 2.491 ( 0.538 -1.104 -2.943) 3.189 2.605 ( 1.551 -1.962 -1.587) 2.962 2.752 ( 3.049 0.412 -2.847) 4.192 2.892 ( -1.003 -1.649 -4.670) 5.053 2.935 ( 3.532 -3.123 -0.520) 4.743 3.014 ( 0.656 -3.557 -1.284) 3.838 3.028 ( 2.991 0.399 -0.944) 3.162 3.105 ( -4.197 -4.502 -0.087) 6.155 3.151 ( 1.701 -0.760 -2.252) 2.923 3.301 ( 2.057 -3.132 2.945) 4.766 3.377 ( -3.660 -3.879 -2.324) 5.817 3.633 ( 3.149 1.977 2.077) 4.259 3.708 ( 7.188 2.655 6.349) 9.951 3.809 ( -4.728 5.299 -5.712) 9.113 3.880 ( 4.269 3.156 -2.158) 5.731 4.039 ( -0.907 4.088 -3.646) 5.552 4.267 ( -1.634 -1.250 -1.887) 2.791 4.438 ( -3.881 -1.251 -0.693) 4.136 4.563 ( -2.170 -0.302 -0.890) 2.365 4.835 ( 2.888 2.972 -4.477) 6.100 5.054 ( -2.225 -5.834 3.107) 6.974 5.274 ( 0.641 -2.825 3.829) 4.802 5.456 ( -2.831 1.358 -4.853) 5.781 5.526 ( 0.522 2.766 3.165) 4.236 5.789 ( -0.042 0.351 -0.615) 0.709 5.849 ( -1.330 0.057 1.478) 1.989 6.115 ( 13.012 -8.804 11.783) 19.638 7.718 ( -0.737 0.362 -0.783) 1.135 10.076 ( -0.980 -2.834 2.815) 4.113 10.927 ( 6.965 1.692 -1.269) 7.279 11.012 ( -3.748 -4.013 4.612) 7.171 11.149 ( -6.084 4.292 0.712) 7.480 11.525 ( 0.122 0.777 -0.498) 0.931 11.706 ( -1.481 5.344 -12.279) 13.473 ======================= Grid point 150 (72/129) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -0.727 4.463 18.224) 18.776 1.067 ( 3.828 5.620 20.405) 21.508 1.565 ( -3.157 -5.247 0.699) 6.164 1.684 ( 1.439 11.866 15.118) 19.272 1.728 ( 7.448 7.915 10.169) 14.884 2.141 ( 0.869 -4.117 -8.896) 9.841 2.263 ( -4.869 1.984 0.260) 5.264 2.342 ( -2.368 -2.935 -9.731) 10.436 2.510 ( 0.771 -2.212 -0.118) 2.346 2.601 ( -0.710 0.761 -2.792) 2.980 2.718 ( 2.092 3.092 -6.325) 7.345 2.848 ( -1.538 -3.214 -3.911) 5.291 2.925 ( -2.572 4.784 -1.586) 5.659 3.021 ( -1.418 -0.283 -0.546) 1.546 3.065 ( -2.522 -5.289 1.772) 6.122 3.125 ( 1.196 -4.633 -2.424) 5.364 3.206 ( -0.409 -2.076 -2.059) 2.952 3.283 ( 3.080 -1.120 1.091) 3.454 3.482 ( -0.767 -4.922 -4.175) 6.499 3.551 ( -6.534 1.184 2.165) 6.984 3.745 ( 3.117 6.948 5.825) 9.588 3.774 ( 1.487 -0.879 0.426) 1.779 3.900 ( -6.390 -0.187 -11.950) 13.553 4.004 ( 8.696 -1.611 2.086) 9.087 4.263 ( 5.182 6.635 2.735) 8.852 4.400 ( -4.126 -2.065 -0.232) 4.620 4.515 ( -3.395 -0.473 -1.882) 3.910 4.724 ( -4.327 5.467 -1.290) 7.091 5.048 ( -4.741 -4.936 -1.319) 6.970 5.295 ( -7.460 5.142 -3.953) 9.885 5.377 ( 1.031 -3.341 2.485) 4.290 5.606 ( 6.788 -0.769 5.886) 9.018 5.801 ( 0.925 0.210 1.653) 1.905 5.853 ( 0.184 0.544 1.811) 1.900 6.497 ( 14.096 -11.596 1.598) 18.322 7.700 ( -0.412 0.267 -0.533) 0.724 10.171 ( 4.373 -7.241 2.252) 8.753 10.942 ( -7.485 -0.249 0.984) 7.553 11.000 ( -0.310 1.391 -0.450) 1.494 11.108 ( 2.302 -0.204 4.827) 5.352 11.462 ( -3.187 11.120 -8.557) 14.388 11.530 ( -0.084 2.647 -1.626) 3.108 ======================= Grid point 153 (73/129) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -8.003 0.000 -8.490) 11.668 1.549 ( -0.835 0.000 11.301) 11.332 1.685 ( 4.850 -0.000 9.697) 10.842 1.754 ( 7.264 -0.000 -7.389) 10.362 2.014 ( 0.463 -0.000 2.658) 2.698 2.125 ( -0.843 0.000 -2.461) 2.601 2.181 ( 0.028 -0.000 -1.426) 1.427 2.395 ( 0.362 -0.000 -0.690) 0.779 2.440 ( 3.430 -0.000 -4.958) 6.028 2.558 ( -6.032 0.000 -0.062) 6.032 2.606 ( -3.206 0.000 -3.032) 4.413 2.857 ( -6.431 0.000 0.664) 6.465 2.893 ( -2.483 0.000 -2.694) 3.664 3.013 ( -1.823 0.000 0.267) 1.842 3.091 ( -0.555 0.000 -1.997) 2.073 3.116 ( 4.720 -0.000 5.132) 6.973 3.239 ( 4.894 -0.000 3.517) 6.026 3.331 ( 5.080 -0.000 -9.276) 10.576 3.391 ( -0.756 0.000 2.201) 2.327 3.548 ( -12.970 0.000 -8.464) 15.487 3.586 ( 10.842 -0.000 10.304) 14.957 3.747 ( 8.547 -0.000 6.297) 10.616 3.840 ( -2.674 0.000 -5.294) 5.931 4.081 ( 4.064 -0.000 -2.655) 4.854 4.141 ( 6.429 -0.000 10.908) 12.662 4.470 ( 1.211 -0.000 -2.320) 2.617 4.504 ( -1.683 0.000 5.631) 5.877 4.793 ( -1.631 0.000 -5.474) 5.712 5.132 ( -6.019 0.000 0.593) 6.048 5.195 ( 2.500 -0.000 6.643) 7.098 5.308 ( -0.528 0.000 5.027) 5.055 5.681 ( -1.876 0.000 -0.773) 2.029 5.706 ( -0.181 0.000 -5.913) 5.916 5.913 ( 0.355 -0.000 -1.310) 1.358 6.156 ( -12.409 0.000 -9.491) 15.623 7.705 ( 0.768 -0.000 0.467) 0.899 10.214 ( -5.310 0.000 1.607) 5.548 10.770 ( 5.122 -0.000 -5.425) 7.461 10.853 ( -1.371 0.000 2.942) 3.246 11.487 ( -1.378 0.000 6.069) 6.223 11.538 ( 0.733 -0.000 -0.199) 0.760 11.595 ( 8.751 -0.000 -3.193) 9.315 ======================= Grid point 154 (74/129) ======================= q-point: (-0.62 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -8.453 -2.576 -8.011) 11.928 1.596 ( -1.620 2.943 7.932) 8.614 1.706 ( -3.913 7.142 -4.603) 9.354 1.774 ( 0.224 3.256 6.268) 7.067 2.034 ( -3.785 -4.522 1.935) 6.207 2.091 ( 0.609 -2.368 -1.949) 3.127 2.223 ( 4.048 -2.749 -0.570) 4.926 2.380 ( -2.161 -0.108 0.927) 2.354 2.458 ( 6.907 5.264 -2.812) 9.128 2.503 ( -2.707 -3.818 1.412) 4.889 2.658 ( 4.048 -5.751 -1.384) 7.168 2.734 ( -5.326 1.726 -0.125) 5.600 2.813 ( -5.085 -0.594 -3.361) 6.124 3.001 ( -1.866 -1.765 0.074) 2.570 3.049 ( -2.270 0.714 -2.230) 3.261 3.214 ( 3.251 4.863 3.100) 6.620 3.284 ( -4.183 1.838 -2.531) 5.223 3.305 ( 4.790 3.825 1.474) 6.304 3.356 ( 0.619 0.413 -8.910) 8.941 3.437 ( 0.932 -4.162 1.066) 4.396 3.732 ( -2.248 0.819 -7.396) 7.773 3.853 ( 9.997 2.837 6.929) 12.490 3.905 ( 9.384 -2.223 7.536) 12.239 4.117 ( 3.436 -0.857 -2.849) 4.545 4.293 ( 1.487 -0.436 5.896) 6.096 4.460 ( -0.194 -0.001 3.396) 3.402 4.535 ( 1.952 0.607 2.174) 2.984 4.698 ( -4.965 0.722 -5.541) 7.475 5.057 ( -2.581 0.183 -1.625) 3.055 5.262 ( 0.474 -1.798 3.206) 3.707 5.368 ( 1.424 0.460 9.288) 9.408 5.629 ( -3.256 0.783 -6.391) 7.215 5.678 ( -0.192 -1.229 0.269) 1.273 5.890 ( -2.558 0.674 -2.279) 3.492 5.951 ( -7.532 -2.240 -5.093) 9.364 7.720 ( 0.701 -0.169 0.278) 0.773 10.146 ( -4.853 0.519 0.804) 4.947 10.810 ( 5.830 1.361 -2.704) 6.569 10.880 ( -0.350 -2.695 2.922) 3.990 11.464 ( -4.943 2.420 4.276) 6.970 11.545 ( 0.816 0.355 -0.531) 1.036 11.698 ( 7.416 -1.603 -4.333) 8.738 ======================= Grid point 155 (75/129) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -6.348 -5.886 -4.672) 9.837 1.422 ( -9.384 13.802 -1.942) 16.803 1.598 ( -4.228 6.265 7.076) 10.354 1.743 ( -0.510 5.949 5.224) 7.934 2.032 ( -4.786 -7.230 -2.701) 9.081 2.167 ( 0.627 -7.486 3.422) 8.255 2.279 ( -2.580 -3.686 1.296) 4.682 2.396 ( 3.357 2.683 0.272) 4.306 2.462 ( 4.982 5.896 -1.507) 7.865 2.562 ( 1.444 -3.779 -0.871) 4.139 2.664 ( -0.248 -0.380 -0.701) 0.834 2.720 ( 0.176 -2.286 0.807) 2.431 2.842 ( 4.953 -5.898 -1.401) 7.828 2.980 ( -3.823 -1.602 -0.990) 4.262 2.992 ( -3.223 -1.144 -0.723) 3.495 3.110 ( -3.040 6.220 2.637) 7.408 3.232 ( -0.406 2.153 -2.844) 3.591 3.278 ( 0.999 3.446 -8.436) 9.167 3.411 ( 4.108 0.688 4.334) 6.011 3.535 ( 5.394 -2.583 -0.468) 5.999 3.652 ( 1.556 1.141 -4.577) 4.967 3.938 ( 4.823 2.318 -0.316) 5.361 4.048 ( 1.357 1.333 -0.508) 1.969 4.170 ( 0.434 3.860 -0.406) 3.906 4.276 ( 1.099 -0.629 2.148) 2.493 4.453 ( -4.265 2.257 -1.775) 5.141 4.601 ( 2.759 -1.607 0.262) 3.204 4.641 ( 0.201 -4.986 3.614) 6.161 5.026 ( -0.302 0.969 -1.160) 1.541 5.275 ( -2.236 -0.384 0.481) 2.319 5.472 ( 2.233 -1.292 10.299) 10.618 5.524 ( -2.894 0.252 -5.252) 6.002 5.709 ( 2.839 -0.746 1.172) 3.161 5.843 ( -2.052 -1.942 1.520) 3.208 5.883 ( -4.453 -2.532 -2.698) 5.789 7.730 ( 0.325 -0.076 -0.171) 0.375 10.080 ( -4.127 0.118 0.230) 4.135 10.875 ( 6.055 1.138 0.381) 6.173 10.925 ( 0.278 -2.167 2.497) 3.318 11.368 ( -7.281 3.406 2.423) 8.396 11.546 ( 0.572 0.622 -0.596) 1.034 11.766 ( 5.320 -1.113 -6.680) 8.612 ======================= Grid point 156 (76/129) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -3.073 -4.755 0.574) 5.691 1.187 ( -3.863 12.609 5.684) 14.360 1.513 ( -4.013 5.043 6.199) 8.942 1.771 ( 4.186 4.926 10.205) 12.080 2.006 ( -3.492 -6.441 -6.234) 9.620 2.183 ( -6.967 8.828 3.179) 11.686 2.266 ( -1.334 -4.370 -0.223) 4.575 2.391 ( 0.131 1.557 1.732) 2.333 2.462 ( 0.867 -2.560 -3.325) 4.285 2.601 ( -0.044 2.780 -0.597) 2.843 2.698 ( 6.306 -2.428 2.151) 7.091 2.837 ( 4.569 -7.372 -1.485) 8.799 2.875 ( -1.290 -0.517 -4.849) 5.044 2.957 ( 0.034 -0.249 -1.185) 1.211 2.966 ( -4.695 -7.316 -1.328) 8.794 3.091 ( 0.166 4.532 2.688) 5.271 3.194 ( 2.189 0.658 0.999) 2.495 3.242 ( 3.138 0.836 -2.786) 4.279 3.393 ( -3.035 3.131 -2.026) 4.808 3.592 ( 1.317 -3.547 -1.018) 3.918 3.769 ( 11.784 1.541 3.708) 12.450 3.924 ( -5.069 5.458 -3.865) 8.392 3.949 ( 0.106 3.043 -4.905) 5.773 4.104 ( -3.428 1.623 -5.154) 6.398 4.240 ( -3.294 -0.279 -2.073) 3.902 4.427 ( 0.798 0.877 1.368) 1.810 4.578 ( -2.594 0.720 -0.352) 2.715 4.811 ( 5.639 -5.876 1.497) 8.281 5.002 ( -1.077 1.043 1.043) 1.826 5.234 ( -2.866 -0.708 0.359) 2.974 5.467 ( -1.795 -0.170 -4.124) 4.501 5.568 ( 1.273 0.959 6.827) 7.010 5.772 ( 0.327 -1.686 -1.045) 2.011 5.839 ( -0.929 -0.900 1.829) 2.240 5.936 ( 5.527 -7.970 7.946) 12.538 7.727 ( -0.162 0.397 -0.536) 0.687 10.038 ( -2.280 -1.054 0.548) 2.571 10.955 ( -1.651 -1.834 5.638) 6.155 10.967 ( 7.546 2.059 -1.161) 7.908 11.232 ( -7.998 3.646 1.423) 8.904 11.541 ( 0.229 0.769 -0.530) 0.962 11.766 ( 2.429 1.157 -9.854) 10.214 ======================= Grid point 157 (77/129) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.687 0.016 5.622) 5.664 1.175 ( 4.852 5.436 13.557) 15.391 1.496 ( -0.967 1.250 6.743) 6.926 1.880 ( 6.419 6.261 8.676) 12.477 1.974 ( -6.227 12.615 3.649) 14.533 1.995 ( -0.096 -7.686 -6.745) 10.226 2.268 ( 0.886 -1.103 -3.737) 3.996 2.378 ( -3.418 2.746 2.413) 5.005 2.464 ( -0.249 -0.320 -0.496) 0.641 2.581 ( -0.393 -1.914 -1.256) 2.323 2.780 ( 3.840 1.509 -4.942) 6.438 2.815 ( -1.391 0.982 -3.157) 3.587 2.918 ( -3.605 -5.490 0.126) 6.569 2.962 ( -1.694 -4.135 -1.015) 4.582 2.989 ( 0.828 -4.297 0.766) 4.442 3.056 ( -0.080 0.908 -0.198) 0.933 3.197 ( 2.872 3.314 -2.133) 4.877 3.310 ( 0.670 -1.614 -1.290) 2.172 3.370 ( 3.449 -0.748 5.179) 6.267 3.587 ( -4.924 0.605 -2.696) 5.646 3.756 ( -3.501 0.578 -5.542) 6.581 3.878 ( -4.037 3.625 0.378) 5.439 3.941 ( 0.731 3.325 -7.232) 7.993 3.964 ( 5.069 -1.691 0.079) 5.344 4.279 ( 2.284 -3.918 2.091) 4.994 4.410 ( -0.790 2.892 0.577) 3.053 4.529 ( -1.595 1.293 -1.737) 2.689 4.823 ( -3.611 3.461 -2.878) 5.771 4.993 ( -1.052 0.033 0.615) 1.219 5.271 ( 0.369 -6.232 3.773) 7.294 5.371 ( -5.833 2.417 -4.155) 7.558 5.620 ( 4.301 1.752 3.737) 5.961 5.785 ( -0.237 -1.781 1.677) 2.457 5.862 ( 0.672 0.177 2.379) 2.479 6.229 ( 9.403 -13.703 5.631) 17.547 7.712 ( -0.417 0.801 -0.406) 0.990 10.057 ( 0.962 -3.779 1.264) 4.099 10.948 ( -4.754 0.758 3.433) 5.912 11.039 ( 2.026 2.234 -0.424) 3.045 11.133 ( 0.404 1.969 3.439) 3.983 11.529 ( -0.093 0.960 -0.736) 1.213 11.668 ( -0.402 5.617 -11.003) 12.360 ======================= Grid point 158 (78/129) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 3.199 0.431 11.197) 11.653 1.332 ( 6.946 4.898 14.481) 16.791 1.525 ( -0.231 0.773 5.876) 5.932 1.781 ( -2.199 7.492 -4.025) 8.785 1.943 ( 3.549 -3.316 -8.318) 9.632 2.104 ( 2.766 -3.504 4.758) 6.525 2.255 ( -1.956 4.493 0.311) 4.910 2.308 ( 3.774 5.293 1.613) 6.698 2.490 ( 0.328 -4.761 0.652) 4.816 2.577 ( 0.313 1.477 -0.299) 1.540 2.768 ( 5.151 4.777 -2.969) 7.627 2.794 ( -0.144 -2.429 -1.782) 3.016 2.872 ( -6.446 -1.178 2.491) 7.010 2.965 ( -1.648 -2.472 0.710) 3.055 3.038 ( 0.226 -0.970 1.419) 1.734 3.075 ( -1.417 -3.443 0.242) 3.731 3.184 ( 0.633 1.323 -2.948) 3.293 3.344 ( 2.342 0.430 -0.308) 2.401 3.397 ( -1.727 0.326 -6.670) 6.898 3.481 ( -5.032 -1.206 3.071) 6.017 3.649 ( -4.421 -1.012 -9.556) 10.577 3.802 ( -3.255 0.397 3.634) 4.895 3.908 ( 3.864 5.096 -0.913) 6.460 4.082 ( 4.116 -4.337 0.450) 5.996 4.300 ( -5.878 -2.907 -1.543) 6.737 4.365 ( -2.715 3.895 -0.602) 4.786 4.494 ( 0.651 1.323 -2.023) 2.503 4.751 ( 2.148 2.916 6.084) 7.080 4.981 ( 0.217 0.573 -2.142) 2.228 5.231 ( -5.411 3.572 -0.376) 6.495 5.353 ( -0.689 -4.647 2.052) 5.127 5.699 ( 3.917 -0.388 1.092) 4.085 5.805 ( -1.130 -1.272 1.371) 2.185 5.890 ( 1.949 1.069 1.864) 2.901 6.479 ( 3.229 -12.992 -2.746) 13.665 7.697 ( -0.306 0.570 -0.026) 0.648 10.155 ( 2.786 -7.465 0.701) 7.999 10.847 ( -7.289 3.123 1.913) 8.157 11.010 ( -0.925 1.897 -0.008) 2.110 11.229 ( 7.136 1.111 4.989) 8.778 11.479 ( -0.291 6.010 -6.212) 8.649 11.548 ( 0.350 3.272 -2.725) 4.272 ======================= Grid point 162 (79/129) ======================= q-point: ( 0.38 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -7.249 0.000 -7.270) 10.267 1.603 ( -6.297 0.000 0.325) 6.305 1.668 ( -5.716 0.000 1.757) 5.980 1.826 ( -2.452 0.000 6.941) 7.361 1.928 ( -3.370 0.000 2.960) 4.486 2.073 ( -0.883 0.000 1.411) 1.665 2.222 ( -1.319 0.000 -0.693) 1.490 2.446 ( 10.110 -0.000 -2.673) 10.458 2.453 ( -2.599 0.000 2.117) 3.351 2.577 ( 9.360 -0.000 -4.908) 10.569 2.675 ( -5.593 0.000 -3.535) 6.616 2.698 ( 0.230 -0.000 0.719) 0.755 2.752 ( 6.865 -0.000 2.692) 7.374 2.937 ( -6.156 0.000 0.101) 6.157 3.000 ( -2.614 0.000 -1.993) 3.287 3.201 ( -4.053 0.000 -0.183) 4.058 3.268 ( -2.818 0.000 -6.443) 7.032 3.345 ( 0.237 -0.000 1.751) 1.767 3.362 ( 4.957 -0.000 -0.203) 4.961 3.518 ( 7.282 -0.000 -1.063) 7.359 3.663 ( 1.972 -0.000 -4.312) 4.742 3.970 ( 2.905 -0.000 2.299) 3.704 4.058 ( 2.438 -0.000 -1.600) 2.916 4.235 ( 12.698 -0.000 7.201) 14.598 4.244 ( -6.948 0.000 -3.417) 7.743 4.522 ( 1.712 -0.000 6.303) 6.531 4.540 ( -8.735 0.000 -7.471) 11.494 4.582 ( 1.235 -0.000 1.761) 2.151 5.040 ( 0.565 -0.000 -1.096) 1.234 5.268 ( -0.428 0.000 0.960) 1.051 5.454 ( -0.040 0.000 9.678) 9.678 5.528 ( -2.838 0.000 -4.919) 5.679 5.704 ( 2.555 -0.000 1.490) 2.958 5.824 ( -3.952 0.000 -0.309) 3.964 5.851 ( -2.809 0.000 -1.697) 3.281 7.729 ( 0.537 -0.000 -0.107) 0.548 10.082 ( -4.425 0.000 -0.075) 4.426 10.891 ( -0.302 0.000 5.370) 5.379 10.900 ( 7.754 -0.000 -2.415) 8.122 11.405 ( -8.361 0.000 3.310) 8.992 11.553 ( 0.736 -0.000 -0.881) 1.148 11.752 ( 6.165 -0.000 -6.330) 8.836 ======================= Grid point 164 (80/129) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -2.739 -5.894 -5.810) 8.718 1.420 ( -7.000 8.685 -1.127) 11.211 1.635 ( -2.624 2.718 7.210) 8.140 1.825 ( -1.317 2.208 7.457) 7.888 1.928 ( -1.136 -2.051 -1.464) 2.764 2.132 ( 0.338 -4.037 6.439) 7.607 2.203 ( -2.202 -3.122 -0.877) 3.920 2.426 ( -1.516 0.579 0.594) 1.728 2.501 ( -3.977 1.074 -4.826) 6.345 2.629 ( 9.697 1.729 -1.969) 10.045 2.696 ( 6.133 0.202 -0.412) 6.150 2.734 ( 3.497 -1.910 0.457) 4.010 2.846 ( -0.949 -1.816 -2.021) 2.878 2.872 ( -1.056 -1.452 1.302) 2.218 2.958 ( -0.811 0.132 -2.168) 2.319 3.168 ( -0.778 2.111 4.772) 5.276 3.182 ( -1.241 -0.209 -4.107) 4.296 3.323 ( 1.156 4.832 -0.320) 4.979 3.428 ( -1.960 -1.125 1.023) 2.480 3.531 ( 4.005 -1.390 -5.420) 6.881 3.776 ( 8.919 -0.235 1.200) 9.003 3.996 ( 0.861 1.990 0.487) 2.222 4.008 ( -4.924 1.932 -6.171) 8.128 4.105 ( -6.217 -0.747 -4.796) 7.887 4.257 ( -7.276 0.997 -8.691) 11.378 4.488 ( 3.414 5.177 5.068) 8.009 4.576 ( -1.284 -0.917 2.330) 2.814 4.657 ( 6.028 -7.630 2.631) 10.074 5.041 ( 0.538 1.665 1.110) 2.072 5.244 ( -2.477 1.153 -1.061) 2.931 5.446 ( -2.544 -1.658 -2.738) 4.089 5.566 ( 1.996 -0.492 9.128) 9.357 5.740 ( 0.064 -1.056 -1.415) 1.767 5.822 ( 0.161 -0.621 1.864) 1.971 5.828 ( 1.498 -2.387 3.519) 4.508 7.733 ( 0.299 0.165 -0.372) 0.505 10.027 ( -2.756 -0.197 -0.482) 2.805 10.932 ( -0.290 -0.516 6.180) 6.209 10.999 ( 7.991 0.886 -0.970) 8.098 11.286 ( -9.092 1.456 1.731) 9.369 11.553 ( 0.451 0.368 -0.993) 1.151 11.773 ( 3.357 -0.064 -7.868) 8.554 ======================= Grid point 165 (81/129) ======================= q-point: (-0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 1.822 -10.011 -4.736) 11.224 1.301 ( 0.225 6.191 5.301) 8.154 1.624 ( 1.173 8.536 9.307) 12.683 1.865 ( -0.118 -3.824 -1.165) 3.999 1.944 ( 1.235 -0.752 5.194) 5.392 2.125 ( -4.588 2.412 -2.386) 5.706 2.229 ( -0.018 -2.441 3.175) 4.005 2.412 ( -2.200 2.165 -0.256) 3.097 2.422 ( -1.013 -3.470 0.965) 3.742 2.645 ( -1.106 5.079 -4.783) 7.064 2.760 ( 2.168 -2.605 1.170) 3.586 2.812 ( 0.137 -4.357 -4.216) 6.065 2.844 ( 2.762 -2.351 -3.483) 5.029 2.879 ( 1.440 0.793 0.958) 1.903 2.970 ( 5.873 3.037 1.908) 6.881 3.126 ( -2.694 4.450 2.979) 5.995 3.236 ( 0.916 -2.619 3.190) 4.228 3.286 ( 1.570 3.668 -1.978) 4.454 3.408 ( 0.141 0.921 3.678) 3.794 3.581 ( 2.941 -0.128 -3.185) 4.337 3.778 ( -9.135 1.079 -9.534) 13.248 3.882 ( -1.086 -4.265 -3.425) 5.576 3.919 ( -6.570 1.160 -4.521) 8.058 4.039 ( 2.992 3.986 -1.830) 5.309 4.194 ( 1.127 -4.027 -1.275) 4.372 4.461 ( -3.548 1.866 1.850) 4.415 4.561 ( 0.563 2.223 -2.361) 3.291 4.835 ( 3.831 -2.583 3.386) 5.728 5.037 ( 0.680 3.229 2.363) 4.058 5.180 ( -3.599 -1.375 -0.344) 3.869 5.393 ( -3.838 -0.326 -3.158) 4.981 5.653 ( 2.831 1.186 4.344) 5.319 5.735 ( -0.987 -2.902 1.641) 3.477 5.861 ( 1.433 -0.112 2.429) 2.823 5.988 ( 6.859 -9.096 4.594) 12.283 7.728 ( -0.036 0.655 -0.364) 0.750 10.009 ( -0.136 -1.265 -0.217) 1.291 10.966 ( -1.449 0.799 5.729) 5.963 11.081 ( 2.699 1.647 -0.507) 3.202 11.172 ( -2.446 1.623 1.967) 3.533 11.545 ( 0.067 0.617 -0.797) 1.010 11.733 ( 0.388 1.352 -9.189) 9.296 ======================= Grid point 166 (82/129) ======================= q-point: (-0.25 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 3.028 -10.241 -1.757) 10.823 1.377 ( 7.196 1.616 9.153) 11.755 1.633 ( 1.022 7.663 10.900) 13.363 1.861 ( 0.887 -1.701 -7.741) 7.975 1.910 ( -7.614 0.791 -6.501) 10.043 2.094 ( 4.542 3.758 7.688) 9.689 2.316 ( 4.939 -1.877 3.860) 6.543 2.360 ( -3.885 0.444 1.512) 4.192 2.450 ( -0.797 1.083 -5.212) 5.383 2.531 ( -1.451 -3.209 -1.953) 4.027 2.759 ( -5.404 -0.920 -3.019) 6.258 2.832 ( 2.481 -1.268 1.744) 3.287 2.876 ( 4.764 -1.845 -2.570) 5.719 2.973 ( 2.690 -3.905 0.432) 4.762 2.991 ( 1.330 8.523 2.987) 9.129 3.066 ( -1.262 4.621 6.531) 8.100 3.235 ( -0.448 2.085 -0.898) 2.314 3.303 ( 1.378 -1.333 -1.006) 2.165 3.447 ( -0.532 2.732 1.386) 3.109 3.481 ( -7.520 -0.569 -3.755) 8.424 3.645 ( 1.318 0.938 -8.917) 9.062 3.796 ( -3.147 -0.670 -0.091) 3.219 3.951 ( 1.966 -5.361 -2.171) 6.109 4.023 ( 0.420 2.294 0.681) 2.429 4.222 ( -4.799 -4.304 -2.816) 7.034 4.407 ( -3.687 0.805 2.430) 4.488 4.532 ( 1.777 2.247 -3.747) 4.717 4.842 ( 0.557 5.925 3.460) 6.884 5.021 ( 0.688 2.632 -0.951) 2.882 5.207 ( -2.532 -6.550 2.498) 7.454 5.309 ( -3.133 1.553 -0.591) 3.546 5.700 ( 2.651 -0.505 0.107) 2.701 5.777 ( 0.225 -0.873 2.438) 2.599 5.901 ( 2.267 0.020 1.789) 2.888 6.212 ( 4.658 -12.314 0.722) 13.185 7.715 ( -0.289 0.991 -0.041) 1.033 10.048 ( 2.110 -3.318 0.232) 3.939 10.922 ( -5.538 3.983 2.455) 7.250 11.038 ( -1.657 0.866 0.762) 2.019 11.250 ( 7.201 0.880 4.089) 8.328 11.530 ( -0.406 1.051 -0.916) 1.452 11.634 ( -1.123 3.241 -8.744) 9.393 ======================= Grid point 167 (83/129) ======================= q-point: (-0.12 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 2.994 -9.463 3.107) 10.401 1.541 ( 7.544 1.282 6.645) 10.135 1.608 ( -7.000 4.810 8.034) 11.691 1.785 ( 3.366 6.963 -1.540) 7.886 1.850 ( 3.260 -5.606 -12.993) 14.521 2.159 ( 1.661 2.848 5.293) 6.236 2.246 ( -6.342 3.244 -1.476) 7.274 2.383 ( 1.053 0.472 -5.777) 5.891 2.460 ( 3.849 -4.952 3.580) 7.222 2.615 ( 3.998 -2.993 0.343) 5.006 2.685 ( -5.619 -3.925 0.251) 6.858 2.867 ( -0.126 0.504 -0.303) 0.602 2.911 ( 2.690 1.550 -4.371) 5.361 2.929 ( -2.386 1.826 2.099) 3.665 3.040 ( 0.196 -3.050 2.972) 4.263 3.093 ( 1.632 5.198 9.281) 10.761 3.192 ( -0.424 2.714 -2.904) 3.997 3.325 ( 0.915 -1.395 -0.206) 1.681 3.337 ( 0.168 -2.134 -3.114) 3.779 3.443 ( -1.174 2.608 -1.891) 3.429 3.618 ( 0.810 4.829 -0.931) 4.984 3.813 ( 2.658 -1.290 3.524) 4.599 3.949 ( -1.249 1.031 -4.106) 4.414 4.064 ( 0.491 -3.779 2.366) 4.485 4.096 ( -11.630 -3.046 -6.780) 13.803 4.364 ( -1.720 2.584 3.361) 4.575 4.505 ( 0.220 1.529 -1.450) 2.119 4.898 ( 6.239 0.941 6.805) 9.280 4.981 ( -0.900 1.377 -5.049) 5.310 5.194 ( -3.925 0.326 3.996) 5.611 5.310 ( -1.016 -2.784 1.456) 3.302 5.737 ( 1.200 -1.116 -0.480) 1.707 5.778 ( -0.625 0.645 -1.001) 1.345 5.944 ( 2.572 0.678 0.150) 2.664 6.340 ( -1.273 -9.962 -4.781) 11.122 7.703 ( -0.137 0.857 0.399) 0.955 10.126 ( 1.869 -5.025 0.456) 5.381 10.813 ( -4.091 3.887 0.115) 5.644 11.019 ( -0.956 1.880 1.299) 2.476 11.377 ( 5.928 0.937 5.916) 8.427 11.478 ( -0.435 2.801 -5.228) 5.947 11.561 ( 1.010 1.533 -2.773) 3.326 ======================= Grid point 172 (84/129) ======================= q-point: (-0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 2.429 -0.000 -8.286) 8.635 1.375 ( -2.742 -0.000 0.986) 2.914 1.731 ( 3.539 -0.000 10.376) 10.963 1.853 ( -1.466 -0.000 -6.476) 6.640 1.882 ( -1.949 0.000 9.519) 9.717 2.153 ( -0.147 0.000 -1.238) 1.247 2.194 ( -0.087 -0.000 7.618) 7.619 2.403 ( -2.024 -0.000 -5.387) 5.755 2.417 ( -2.839 -0.000 2.456) 3.754 2.678 ( -0.897 -0.000 -0.885) 1.260 2.722 ( -2.758 -0.000 -5.822) 6.442 2.788 ( 4.084 -0.000 0.399) 4.104 2.815 ( 4.806 -0.000 -3.390) 5.882 2.899 ( -2.802 0.000 -4.581) 5.370 3.019 ( 13.584 -0.000 5.483) 14.648 3.191 ( 2.323 -0.000 1.307) 2.665 3.198 ( -0.134 -0.000 5.258) 5.260 3.356 ( -1.127 -0.000 2.071) 2.357 3.376 ( -2.824 0.000 0.442) 2.858 3.592 ( 7.144 -0.000 -2.479) 7.562 3.804 ( -14.725 0.000 -11.885) 18.923 3.811 ( -2.027 -0.000 -1.818) 2.723 3.931 ( -7.010 -0.000 -4.309) 8.229 4.104 ( 5.786 0.000 1.130) 5.895 4.126 ( -2.014 -0.000 -7.772) 8.029 4.479 ( -6.209 -0.000 3.209) 6.989 4.605 ( 0.733 -0.000 -4.743) 4.800 4.775 ( 9.262 -0.000 8.544) 12.601 5.077 ( 0.336 -0.000 3.816) 3.831 5.193 ( -4.073 -0.000 -3.397) 5.304 5.375 ( -3.763 -0.000 -1.851) 4.193 5.666 ( 3.793 0.000 7.924) 8.784 5.694 ( -2.172 -0.000 -1.519) 2.650 5.863 ( 2.511 -0.000 1.955) 3.182 5.892 ( 5.204 -0.000 3.322) 6.174 7.735 ( 0.168 -0.000 -0.346) 0.385 9.998 ( -0.413 -0.000 -0.688) 0.803 10.975 ( -0.155 -0.000 6.731) 6.733 11.098 ( 2.724 -0.000 -0.517) 2.773 11.189 ( -3.449 -0.000 1.333) 3.698 11.552 ( 0.221 -0.000 -1.133) 1.155 11.743 ( 0.372 -0.000 -8.076) 8.085 ======================= Grid point 174 (85/129) ======================= q-point: (-0.38 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 4.294 -7.709 -8.571) 12.301 1.410 ( 5.279 1.177 6.035) 8.104 1.751 ( -3.199 3.761 3.540) 6.075 1.821 ( -3.648 -3.114 -2.659) 5.484 1.938 ( 3.939 2.996 2.539) 5.562 2.166 ( 1.873 1.746 3.000) 3.944 2.227 ( -3.291 -3.769 6.758) 8.408 2.385 ( -1.214 0.173 0.624) 1.376 2.414 ( 4.301 -0.743 1.302) 4.555 2.550 ( -6.734 1.481 -11.748) 13.622 2.720 ( 1.846 -3.142 0.282) 3.655 2.792 ( -2.318 -0.881 -4.503) 5.141 2.846 ( 4.198 -0.094 -0.386) 4.216 2.928 ( 5.036 -0.660 -0.293) 5.088 3.108 ( -4.603 3.648 1.555) 6.076 3.207 ( 0.033 0.257 0.037) 0.262 3.299 ( 5.247 8.514 9.931) 14.094 3.330 ( 3.604 2.622 0.114) 4.459 3.408 ( -1.724 -4.290 3.077) 5.554 3.512 ( -8.873 2.015 -7.521) 11.805 3.664 ( 5.845 -0.430 -2.999) 6.583 3.762 ( -4.261 -2.827 -3.310) 6.091 3.846 ( -1.908 -2.446 -0.921) 3.236 4.054 ( -0.838 0.463 -5.175) 5.263 4.149 ( -2.667 -2.322 -3.458) 4.946 4.420 ( -4.702 0.519 5.072) 6.935 4.577 ( 1.961 1.800 -4.121) 4.906 4.934 ( 4.672 1.000 5.748) 7.475 5.068 ( -5.205 2.670 -4.452) 7.352 5.120 ( 0.527 -0.990 3.981) 4.136 5.309 ( -5.106 -1.598 -0.538) 5.378 5.675 ( -0.225 -1.073 -0.037) 1.097 5.774 ( 4.218 0.051 3.540) 5.507 5.900 ( 1.682 0.110 0.736) 1.839 6.025 ( 6.464 -5.259 1.319) 8.437 7.731 ( -0.136 0.466 -0.171) 0.515 10.008 ( 1.787 -0.845 -0.281) 1.996 10.996 ( -3.567 3.062 3.321) 5.756 11.039 ( -3.327 -0.942 1.276) 3.685 11.262 ( 6.897 0.335 2.963) 7.514 11.544 ( 0.032 0.384 -0.915) 0.993 11.669 ( -2.134 0.596 -7.960) 8.263 ======================= Grid point 175 (86/129) ======================= q-point: (-0.25 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 3.800 -12.614 -4.345) 13.871 1.557 ( 7.429 0.851 7.455) 10.559 1.669 ( -10.511 1.084 4.451) 11.466 1.758 ( 0.726 -3.250 -8.275) 8.920 1.960 ( 6.146 9.112 1.695) 11.121 2.190 ( -3.820 -0.284 5.364) 6.592 2.274 ( -1.805 -5.100 2.859) 6.119 2.331 ( -2.567 1.556 -6.831) 7.461 2.439 ( 3.839 -0.635 -2.150) 4.446 2.542 ( 5.800 -0.674 3.006) 6.568 2.683 ( -2.582 1.472 -3.789) 4.816 2.828 ( 0.544 -4.528 -1.728) 4.877 2.900 ( 0.500 -1.774 -1.072) 2.132 2.941 ( -3.958 1.558 -3.049) 5.234 2.999 ( -0.402 -0.757 1.686) 1.891 3.188 ( -2.423 -1.595 -1.915) 3.476 3.278 ( -5.669 7.305 6.160) 11.110 3.318 ( 3.453 2.518 -0.627) 4.319 3.333 ( -2.654 0.176 -0.579) 2.722 3.537 ( 6.882 7.241 1.166) 10.058 3.715 ( 6.148 2.891 -0.413) 6.806 3.758 ( -1.099 -2.516 2.761) 3.894 3.892 ( 0.644 -5.504 -1.047) 5.640 4.019 ( -2.420 -1.676 -1.298) 3.217 4.046 ( -5.977 -1.940 -4.091) 7.499 4.410 ( -1.842 1.603 6.584) 7.023 4.553 ( 0.966 2.975 -3.943) 5.034 4.936 ( -4.299 0.009 -3.646) 5.637 4.980 ( 0.599 1.744 1.440) 2.340 5.182 ( 1.087 -0.412 4.239) 4.395 5.271 ( -3.190 -2.591 1.780) 4.478 5.697 ( 0.543 -1.679 0.443) 1.819 5.814 ( 1.668 1.983 -0.876) 2.735 5.933 ( 1.653 -1.555 -0.616) 2.351 6.166 ( 4.293 -6.387 -2.712) 8.159 7.721 ( -0.202 0.810 0.247) 0.871 10.057 ( 2.595 -1.992 0.468) 3.304 10.890 ( -4.564 3.290 -1.584) 5.845 11.047 ( -0.847 0.928 3.962) 4.157 11.386 ( 6.282 0.027 4.732) 7.865 11.523 ( -1.603 1.738 -2.159) 3.201 11.578 ( -1.019 0.018 -5.671) 5.761 ======================= Grid point 176 (87/129) ======================= q-point: (-0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 1.525 -13.609 -0.008) 13.694 1.516 ( -10.526 -0.868 3.160) 11.024 1.657 ( 0.648 -0.717 1.507) 1.790 1.804 ( 7.475 1.082 -9.591) 12.207 1.966 ( 3.372 5.076 4.587) 7.627 2.110 ( -5.341 0.503 0.201) 5.368 2.281 ( 2.256 4.008 2.157) 5.080 2.357 ( 2.608 -3.123 0.486) 4.098 2.507 ( 1.771 -1.091 1.638) 2.648 2.581 ( -4.096 -2.687 -0.969) 4.993 2.659 ( 4.695 -0.178 0.831) 4.771 2.775 ( -5.104 -3.769 -4.028) 7.515 2.863 ( -3.085 -1.911 -4.460) 5.750 2.968 ( 2.925 0.483 0.534) 3.012 3.011 ( -3.620 -2.392 2.851) 5.192 3.152 ( -3.003 -1.714 -1.577) 3.800 3.156 ( -3.149 4.175 0.372) 5.243 3.308 ( 1.334 -0.021 -1.631) 2.107 3.422 ( 5.037 -0.016 4.747) 6.921 3.552 ( 8.675 6.285 -2.261) 10.948 3.684 ( -1.071 5.403 1.578) 5.729 3.762 ( -9.166 0.046 -6.123) 11.023 3.881 ( 0.600 -3.247 1.116) 3.486 4.025 ( 4.806 0.701 3.115) 5.770 4.094 ( 3.759 -0.128 5.633) 6.773 4.404 ( -0.970 3.461 4.089) 5.444 4.506 ( -0.822 0.996 -0.508) 1.387 4.837 ( -7.567 -4.539 -7.846) 11.808 5.031 ( 4.081 -0.531 4.936) 6.427 5.206 ( -0.270 1.647 3.217) 3.624 5.283 ( -1.657 -2.285 3.139) 4.221 5.712 ( -0.661 -0.713 -0.554) 1.119 5.793 ( 0.644 1.888 -2.894) 3.515 5.953 ( 0.029 -1.870 -2.504) 3.126 6.215 ( 0.031 -3.344 -6.792) 7.571 7.716 ( 0.198 0.815 0.746) 1.123 10.117 ( 1.241 -2.505 1.183) 3.036 10.797 ( -1.786 2.729 -2.573) 4.155 11.042 ( -1.227 2.377 3.250) 4.209 11.432 ( -3.274 1.338 -2.895) 4.571 11.488 ( 2.648 -0.443 1.935) 3.309 11.592 ( 4.767 -0.105 0.032) 4.768 ======================= Grid point 182 (88/129) ======================= q-point: (-0.38 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 5.031 -0.000 -7.476) 9.011 1.570 ( 8.318 -0.000 7.141) 10.963 1.675 ( -12.259 0.000 4.689) 13.125 1.722 ( -0.847 0.000 -5.976) 6.036 2.087 ( 7.267 -0.000 2.196) 7.592 2.181 ( -3.024 0.000 5.177) 5.995 2.182 ( -3.583 0.000 0.752) 3.661 2.384 ( 1.388 -0.000 -1.021) 1.723 2.392 ( -1.158 0.000 -8.975) 9.049 2.558 ( 6.039 -0.000 4.968) 7.820 2.720 ( -0.843 0.000 -4.078) 4.164 2.743 ( 2.729 -0.000 -1.572) 3.150 2.881 ( -1.547 0.000 -2.859) 3.251 2.974 ( -9.384 0.000 -3.751) 10.106 2.988 ( 2.868 -0.000 1.234) 3.122 3.164 ( -3.463 0.000 -1.219) 3.671 3.322 ( -1.752 0.000 -2.267) 2.865 3.337 ( -4.207 0.000 -1.380) 4.427 3.379 ( -0.785 0.000 5.363) 5.420 3.681 ( -1.650 0.000 3.087) 3.500 3.713 ( 4.320 -0.000 -2.798) 5.147 3.737 ( 16.711 -0.000 11.312) 20.179 3.809 ( -1.145 0.000 -1.483) 1.874 3.991 ( -1.442 0.000 -5.214) 5.409 4.019 ( -7.453 0.000 -3.896) 8.409 4.427 ( -1.873 0.000 8.189) 8.400 4.594 ( 2.392 -0.000 -3.743) 4.442 4.898 ( -8.852 0.000 -7.876) 11.849 5.064 ( 2.749 -0.000 4.868) 5.591 5.164 ( 0.620 -0.000 -0.139) 0.636 5.221 ( -4.592 0.000 4.822) 6.659 5.683 ( 1.407 -0.000 1.004) 1.728 5.839 ( 2.468 -0.000 -0.791) 2.592 5.907 ( -0.063 0.000 -1.028) 1.030 6.100 ( 7.451 -0.000 -2.468) 7.849 7.730 ( -0.206 0.000 0.125) 0.241 10.038 ( 2.719 -0.000 0.505) 2.765 10.927 ( -4.774 0.000 -3.309) 5.809 11.057 ( -0.756 0.000 6.098) 6.145 11.385 ( 6.148 -0.000 4.149) 7.417 11.545 ( 0.706 -0.000 -0.706) 0.998 11.572 ( -4.210 0.000 -6.738) 7.945 ======================= Grid point 183 (89/129) ======================= q-point: (-0.25 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 4.020 -7.817 -2.296) 9.085 1.509 ( -14.339 0.598 4.013) 14.902 1.611 ( -5.587 -2.822 0.919) 6.327 1.820 ( 12.490 0.047 3.071) 12.862 2.038 ( -6.956 3.178 -6.204) 9.848 2.191 ( 6.226 4.200 4.081) 8.547 2.243 ( 2.873 -5.199 1.328) 6.086 2.348 ( 1.218 3.712 0.860) 4.001 2.456 ( 1.847 -5.003 0.427) 5.350 2.557 ( -3.698 0.093 -4.729) 6.004 2.696 ( -3.612 1.256 -1.105) 3.981 2.720 ( -1.884 0.013 -3.848) 4.285 2.793 ( 0.700 -3.784 -4.159) 5.666 2.951 ( 0.221 -0.445 0.845) 0.981 3.012 ( -1.251 0.442 1.649) 2.117 3.106 ( -3.330 -1.485 -0.301) 3.658 3.254 ( -2.004 4.779 -0.516) 5.208 3.318 ( 0.864 -0.676 0.331) 1.147 3.424 ( 3.014 0.244 4.481) 5.406 3.632 ( -4.832 0.791 -5.758) 7.559 3.739 ( 0.297 -0.321 -5.056) 5.075 3.800 ( 2.847 1.091 6.582) 7.253 3.859 ( -1.394 4.594 -2.820) 5.568 4.003 ( 3.157 -2.461 4.145) 5.763 4.086 ( 10.328 -1.080 8.725) 13.564 4.467 ( -0.545 1.369 8.865) 8.986 4.559 ( -1.083 4.552 -5.144) 6.954 4.720 ( -9.104 -5.890 -8.578) 13.826 5.067 ( -0.490 4.068 2.294) 4.696 5.183 ( -0.702 -5.342 1.573) 5.612 5.256 ( 1.118 0.942 5.548) 5.737 5.711 ( 1.284 0.323 0.517) 1.421 5.825 ( -0.803 1.130 -3.645) 3.900 5.902 ( -0.848 -2.196 -1.991) 3.083 6.171 ( 5.473 -1.122 -7.353) 9.235 7.729 ( 0.075 0.393 0.625) 0.741 10.086 ( 2.050 -0.667 1.643) 2.711 10.840 ( -2.342 1.215 -4.387) 5.119 11.078 ( -1.012 1.082 4.820) 5.042 11.455 ( -5.106 0.718 -4.998) 7.181 11.481 ( 2.367 -0.248 2.896) 3.749 11.579 ( 4.240 -0.681 1.295) 4.485 ======================= Grid point 184 (90/129) ======================= q-point: (-0.12 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -1.190 -10.207 2.799) 10.650 1.348 ( -12.721 -4.588 3.615) 13.998 1.571 ( -6.481 -5.835 -1.077) 8.787 1.790 ( -8.681 6.571 -6.946) 12.915 2.050 ( 8.839 -0.298 7.141) 11.368 2.233 ( 6.862 7.303 -2.170) 10.253 2.309 ( -5.022 -1.789 2.140) 5.745 2.393 ( 2.186 -4.664 3.737) 6.364 2.433 ( -1.854 -1.967 -2.766) 3.868 2.563 ( 2.364 -0.056 2.073) 3.144 2.619 ( -4.342 -4.675 -2.101) 6.717 2.765 ( 2.793 0.502 -0.665) 2.915 2.791 ( 4.259 -0.006 -0.355) 4.274 2.955 ( -1.592 -1.247 1.224) 2.364 3.003 ( 1.013 -0.585 -0.930) 1.494 3.096 ( -1.262 -0.813 1.109) 1.866 3.186 ( -0.253 5.459 0.578) 5.495 3.338 ( 0.904 1.870 0.530) 2.143 3.418 ( -5.915 -1.548 -6.091) 8.630 3.570 ( 2.366 -0.381 -2.890) 3.754 3.733 ( 5.523 4.178 -3.609) 7.809 3.767 ( -1.652 1.944 3.318) 4.185 3.904 ( 3.808 -0.916 1.767) 4.296 4.116 ( 3.618 -0.097 5.529) 6.608 4.194 ( -1.688 0.699 0.599) 1.923 4.464 ( 2.129 3.633 0.979) 4.324 4.522 ( 0.576 0.044 5.565) 5.594 4.631 ( -5.467 -3.615 -3.319) 7.347 5.065 ( -0.617 -1.716 0.614) 1.925 5.240 ( 2.410 -0.942 3.486) 4.342 5.295 ( 0.082 0.854 6.090) 6.150 5.707 ( -0.416 1.518 -1.792) 2.385 5.757 ( -3.067 -0.253 -5.173) 6.019 5.897 ( -1.087 -2.220 -1.456) 2.869 6.161 ( 1.377 0.370 -10.264) 10.363 7.733 ( 0.348 0.553 0.799) 1.033 10.123 ( -0.264 -0.651 2.327) 2.430 10.782 ( 0.746 1.199 -4.381) 4.603 11.074 ( -1.455 2.465 4.059) 4.966 11.351 ( -4.481 -0.810 -3.860) 5.969 11.508 ( 0.335 -0.393 0.605) 0.796 11.683 ( 5.959 -0.519 2.417) 6.452 ======================= Grid point 191 (91/129) ======================= q-point: (-0.25 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 1.329 -0.000 4.078) 4.289 1.305 ( -18.933 0.000 5.044) 19.594 1.495 ( -6.226 0.000 0.038) 6.226 1.879 ( -12.641 0.000 -5.464) 13.772 2.047 ( 12.268 -0.000 6.492) 13.880 2.290 ( 5.631 -0.000 -1.497) 5.826 2.297 ( -13.167 0.000 4.407) 13.885 2.348 ( 5.607 -0.000 -3.301) 6.506 2.407 ( 2.172 -0.000 -2.422) 3.253 2.518 ( 3.071 -0.000 2.094) 3.717 2.600 ( -0.654 0.000 -0.430) 0.783 2.765 ( 2.707 -0.000 -4.865) 5.567 2.795 ( 5.642 -0.000 0.999) 5.730 2.949 ( -1.064 0.000 1.334) 1.707 2.992 ( -1.285 0.000 -0.982) 1.617 3.087 ( -0.388 0.000 3.313) 3.336 3.297 ( -2.285 0.000 3.028) 3.793 3.313 ( 2.801 -0.000 -3.121) 4.194 3.454 ( -8.144 0.000 -5.685) 9.932 3.508 ( 4.640 -0.000 3.867) 6.041 3.774 ( 5.870 -0.000 -5.112) 7.784 3.817 ( -3.706 0.000 -3.340) 4.989 3.876 ( 2.775 -0.000 5.299) 5.982 4.110 ( 4.915 -0.000 7.465) 8.938 4.217 ( -4.293 0.000 -2.317) 4.878 4.504 ( -1.178 0.000 -1.745) 2.106 4.512 ( -1.710 0.000 2.634) 3.141 4.596 ( 2.051 -0.000 3.064) 3.687 5.049 ( -2.575 0.000 0.553) 2.634 5.214 ( 3.576 -0.000 4.572) 5.804 5.321 ( 1.680 -0.000 5.361) 5.618 5.725 ( 0.036 -0.000 -0.865) 0.866 5.752 ( -4.449 0.000 -6.228) 7.654 5.870 ( -0.549 0.000 -0.896) 1.051 6.162 ( 2.993 -0.000 -11.996) 12.364 7.739 ( 0.263 -0.000 0.762) 0.806 10.117 ( 0.121 -0.000 2.878) 2.880 10.796 ( 0.566 -0.000 -5.305) 5.335 11.100 ( -0.838 0.000 3.424) 3.525 11.345 ( -5.951 0.000 -3.611) 6.961 11.504 ( 0.311 -0.000 0.596) 0.672 11.674 ( 5.683 -0.000 3.538) 6.694 ======================= Grid point 192 (92/129) ======================= q-point: (-0.12 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -7.305 -2.414 10.768) 13.234 1.086 ( -19.083 -6.860 5.729) 21.072 1.446 ( -2.099 -1.127 -1.813) 2.993 1.616 ( -17.761 -2.052 2.231) 18.018 2.097 ( -14.885 1.045 4.528) 15.594 2.222 ( 4.008 -0.914 1.853) 4.509 2.347 ( 6.885 -0.369 -1.696) 7.100 2.401 ( 2.558 0.116 -1.562) 2.999 2.469 ( 5.956 -1.029 -2.772) 6.650 2.603 ( 3.264 2.283 -1.402) 4.223 2.646 ( 7.245 -1.531 0.116) 7.406 2.786 ( 4.162 3.182 1.066) 5.346 2.892 ( 3.216 -1.546 0.465) 3.598 2.965 ( 2.600 -1.826 0.597) 3.233 2.988 ( 1.759 -0.778 2.404) 3.079 3.123 ( 2.685 -0.037 1.826) 3.248 3.235 ( -1.374 4.316 -0.582) 4.566 3.283 ( -4.056 0.615 -3.232) 5.223 3.382 ( 1.210 2.891 1.856) 3.642 3.622 ( 5.916 -0.178 -0.041) 5.919 3.739 ( -4.885 -0.958 3.210) 5.923 3.798 ( 3.364 1.295 -5.888) 6.904 3.926 ( -4.268 1.588 -6.311) 7.783 4.011 ( -8.054 -6.177 -8.293) 13.107 4.236 ( 5.747 0.922 11.414) 12.812 4.492 ( -1.438 -1.856 -1.071) 2.581 4.568 ( 4.775 1.341 3.266) 5.939 4.645 ( -0.239 1.520 4.286) 4.554 5.050 ( 0.555 -0.252 1.872) 1.968 5.307 ( 3.738 -0.820 3.136) 4.948 5.387 ( 2.715 2.934 9.100) 9.939 5.626 ( -5.688 0.220 -6.974) 9.002 5.714 ( 0.232 -0.843 -1.003) 1.331 5.866 ( -0.631 -1.231 0.010) 1.383 6.078 ( -2.307 -0.010 -12.223) 12.438 7.744 ( -0.097 0.221 0.181) 0.302 10.124 ( -2.257 0.266 3.495) 4.169 10.789 ( 3.640 0.331 -4.376) 5.702 11.103 ( -0.613 1.505 2.326) 2.838 11.244 ( -5.646 -1.109 -2.130) 6.136 11.511 ( 0.265 -0.259 -0.022) 0.371 11.764 ( 3.965 -0.384 -0.388) 4.003 ======================= Grid point 200 (93/129) ======================= q-point: (-0.12 -0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -16.850 0.000 13.568) 21.634 0.878 ( -10.185 0.000 19.447) 21.953 1.330 ( -22.382 0.000 16.804) 27.988 1.473 ( 5.887 -0.000 -2.563) 6.421 1.942 ( -11.468 0.000 0.677) 11.488 2.228 ( -0.300 0.000 -2.385) 2.404 2.387 ( 0.279 -0.000 -0.579) 0.643 2.448 ( 3.378 -0.000 -1.150) 3.569 2.551 ( 8.058 -0.000 -1.917) 8.283 2.625 ( 3.150 -0.000 -9.102) 9.632 2.671 ( 0.242 -0.000 -7.988) 7.992 2.889 ( 1.021 -0.000 3.556) 3.700 2.909 ( 2.891 -0.000 -2.140) 3.597 3.019 ( 1.161 -0.000 -0.097) 1.165 3.096 ( 11.712 -0.000 7.759) 14.049 3.198 ( 6.663 -0.000 1.977) 6.950 3.238 ( -3.433 0.000 0.525) 3.473 3.242 ( 1.862 -0.000 -0.910) 2.072 3.471 ( 4.861 -0.000 4.242) 6.451 3.620 ( -14.678 0.000 -12.265) 19.128 3.680 ( -6.776 0.000 4.647) 8.216 3.741 ( 7.277 -0.000 2.436) 7.674 3.793 ( -1.229 0.000 -5.963) 6.089 3.903 ( -0.990 0.000 -4.293) 4.405 4.396 ( 3.357 -0.000 -2.599) 4.246 4.473 ( -0.556 0.000 -0.793) 0.969 4.635 ( 1.152 -0.000 2.538) 2.788 4.685 ( 4.771 -0.000 5.821) 7.526 5.101 ( 2.788 -0.000 6.954) 7.492 5.356 ( 1.076 -0.000 -0.923) 1.417 5.494 ( -1.991 0.000 -0.325) 2.017 5.518 ( -2.507 0.000 -3.698) 4.467 5.705 ( 1.448 -0.000 -0.126) 1.454 5.849 ( -0.998 0.000 0.477) 1.106 5.993 ( 1.530 -0.000 4.377) 4.637 7.735 ( -0.915 0.000 -0.756) 1.187 10.120 ( -2.129 0.000 4.909) 5.351 10.833 ( 5.817 -0.000 -2.975) 6.534 11.113 ( 0.911 -0.000 -4.328) 4.423 11.155 ( -5.692 0.000 4.259) 7.109 11.512 ( 0.298 -0.000 -0.420) 0.515 11.741 ( -4.337 0.000 -8.050) 9.144 ======================= Grid point 201 (94/129) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 1.783 -0.000 13.582) 13.699 1.379 ( -3.303 0.000 15.476) 15.825 1.573 ( -3.504 0.000 -4.359) 5.593 1.614 ( 3.286 -0.000 1.941) 3.816 1.904 ( 1.648 -0.000 -14.940) 15.031 2.096 ( 4.143 -0.000 11.530) 12.251 2.184 ( 0.713 -0.000 -0.730) 1.021 2.242 ( -2.400 0.000 -0.325) 2.422 2.496 ( 0.651 -0.000 -0.716) 0.968 2.613 ( -2.367 0.000 -2.309) 3.306 2.649 ( 3.267 -0.000 4.408) 5.487 2.808 ( -1.259 0.000 -5.264) 5.413 2.875 ( -0.438 0.000 2.559) 2.597 2.987 ( -0.805 0.000 -3.161) 3.262 3.109 ( 0.724 -0.000 1.319) 1.505 3.147 ( -0.151 0.000 -0.938) 0.950 3.178 ( -0.496 0.000 1.492) 1.572 3.299 ( -6.380 0.000 -8.754) 10.833 3.386 ( 3.212 -0.000 -2.217) 3.903 3.639 ( -6.867 0.000 5.632) 8.882 3.641 ( -3.712 0.000 -8.737) 9.493 3.709 ( 7.829 -0.000 -1.648) 8.001 3.901 ( 0.503 -0.000 4.392) 4.421 4.074 ( 2.337 -0.000 0.835) 2.482 4.224 ( 4.274 -0.000 2.230) 4.821 4.401 ( -1.320 0.000 -0.733) 1.510 4.490 ( -3.764 0.000 -1.626) 4.100 4.762 ( 2.825 -0.000 7.548) 8.059 4.987 ( -5.846 0.000 -9.280) 10.968 5.235 ( -2.946 0.000 2.636) 3.953 5.377 ( 1.116 -0.000 -1.796) 2.114 5.771 ( 2.612 -0.000 4.367) 5.089 5.805 ( 0.662 -0.000 0.354) 0.751 5.868 ( 0.075 -0.000 0.618) 0.622 6.575 ( 4.874 -0.000 -1.863) 5.218 7.687 ( -0.035 0.000 -0.334) 0.336 10.279 ( 2.584 -0.000 0.074) 2.585 10.942 ( -1.477 0.000 -0.171) 1.487 10.975 ( -1.594 0.000 -0.332) 1.628 11.210 ( -3.031 0.000 0.544) 3.079 11.219 ( 1.592 -0.000 0.324) 1.625 11.504 ( 0.194 -0.000 -0.317) 0.371 ======================= Grid point 202 (95/129) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 3.619 2.557 1.906) 4.823 1.461 ( -0.116 -2.806 6.413) 7.001 1.562 ( 0.046 -5.388 5.807) 7.922 1.640 ( -1.951 -1.682 -2.430) 3.541 1.818 ( 5.122 6.660 -8.970) 12.290 2.127 ( 2.314 1.816 -0.840) 3.059 2.214 ( -3.216 -2.378 2.883) 4.931 2.289 ( 2.606 -3.848 -3.312) 5.706 2.494 ( -0.654 -3.720 -0.846) 3.871 2.625 ( 4.462 4.250 2.614) 6.693 2.688 ( 2.282 0.638 -3.991) 4.641 2.792 ( 2.803 0.151 0.342) 2.828 2.886 ( -2.561 -2.465 2.049) 4.102 2.969 ( 0.110 0.063 -0.218) 0.252 3.107 ( -1.871 0.000 0.181) 1.880 3.138 ( -0.341 1.426 -0.496) 1.547 3.190 ( -2.950 -0.619 0.916) 3.150 3.233 ( 2.870 0.245 4.470) 5.318 3.362 ( 1.986 3.152 -1.673) 4.083 3.569 ( -5.783 1.069 2.515) 6.396 3.593 ( -2.302 -0.419 2.708) 3.579 3.806 ( 6.048 -0.882 -3.498) 7.042 3.859 ( -4.286 -1.087 1.203) 4.582 4.103 ( 0.114 1.373 -4.338) 4.552 4.186 ( -7.983 -1.739 -4.460) 9.308 4.378 ( -0.023 -0.237 2.632) 2.643 4.513 ( 2.716 0.595 3.523) 4.488 4.820 ( -0.190 -1.077 -4.491) 4.623 4.954 ( 5.491 1.029 7.880) 9.659 5.240 ( -0.843 -0.764 4.387) 4.532 5.385 ( 0.839 -0.493 -1.452) 1.748 5.739 ( -2.273 3.676 -2.487) 4.986 5.814 ( -2.500 -1.904 -0.908) 3.271 5.881 ( 0.765 -0.908 -0.039) 1.188 6.536 ( -2.797 3.740 -6.522) 8.022 7.689 ( 0.130 -0.277 0.040) 0.308 10.280 ( 2.379 4.725 -2.764) 5.969 10.844 ( -9.190 -0.482 1.938) 9.405 10.967 ( -2.262 -3.203 1.696) 4.272 11.267 ( 5.109 -0.650 -2.464) 5.710 11.303 ( 7.518 -2.340 3.889) 8.782 11.510 ( 0.502 -0.653 -0.301) 0.876 ======================= Grid point 203 (96/129) ======================= q-point: ( 0.25 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 6.954 3.639 -4.373) 8.985 1.488 ( -4.114 -1.074 -4.042) 5.866 1.591 ( 2.362 -1.530 -5.708) 6.364 1.642 ( -0.473 -1.782 -1.104) 2.149 1.855 ( 6.010 0.845 7.891) 9.955 2.149 ( 1.766 -0.218 3.697) 4.102 2.221 ( -2.948 -1.552 -0.764) 3.418 2.308 ( 1.546 -3.072 0.347) 3.457 2.534 ( -0.554 -4.435 -1.475) 4.706 2.638 ( 4.133 1.297 -4.644) 6.350 2.701 ( 2.412 -0.535 -3.745) 4.486 2.822 ( 0.218 2.664 1.259) 2.955 2.888 ( -1.685 0.445 3.525) 3.932 2.965 ( -0.870 1.838 0.721) 2.158 3.061 ( -0.370 2.054 -3.685) 4.235 3.136 ( -2.850 2.406 0.189) 3.735 3.149 ( 0.766 -2.218 4.429) 5.012 3.283 ( 4.128 -0.616 -1.710) 4.511 3.434 ( -0.655 5.036 0.716) 5.129 3.530 ( 3.704 -0.116 12.337) 12.881 3.574 ( -5.193 -4.283 2.272) 7.104 3.823 ( -1.194 -1.079 -5.006) 5.259 3.901 ( -5.181 4.862 -5.159) 8.780 3.922 ( 0.432 -2.859 -0.692) 2.973 4.132 ( -1.492 -3.442 1.011) 3.886 4.423 ( 1.617 -0.768 2.624) 3.176 4.547 ( 0.295 3.273 4.668) 5.709 4.806 ( -0.498 -2.671 -5.079) 5.760 5.092 ( 6.394 2.703 7.833) 10.467 5.273 ( -1.595 -0.304 5.239) 5.485 5.362 ( -2.263 1.221 -1.053) 2.779 5.666 ( 0.177 -0.905 -5.740) 5.814 5.768 ( -3.450 -0.383 -1.165) 3.661 5.903 ( 0.915 -1.574 -1.139) 2.148 6.352 ( -7.307 5.385 -9.264) 12.970 7.698 ( 0.353 -0.495 0.606) 0.858 10.232 ( 1.496 5.569 -2.320) 6.215 10.759 ( -5.845 -1.869 1.049) 6.225 10.993 ( -2.378 -4.748 3.244) 6.223 11.324 ( 5.748 0.256 -4.862) 7.533 11.464 ( 5.824 -1.541 5.442) 8.119 11.528 ( 1.331 -1.051 0.303) 1.723 ======================= Grid point 204 (97/129) ======================= q-point: ( 0.38 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -3.466 6.103 -3.272) 7.744 1.500 ( 8.062 -2.671 -10.358) 13.395 1.559 ( 1.344 3.478 -5.727) 6.834 1.654 ( -0.317 -2.065 1.955) 2.861 2.010 ( 4.630 -2.700 7.162) 8.946 2.149 ( -4.900 1.879 1.642) 5.499 2.258 ( 3.150 -4.569 4.577) 7.193 2.380 ( 0.666 -2.697 4.798) 5.544 2.556 ( 0.278 -1.753 1.136) 2.107 2.628 ( 0.440 0.718 -5.468) 5.533 2.720 ( -0.256 -4.240 -5.037) 6.589 2.758 ( -2.860 5.853 1.600) 6.708 2.847 ( -1.228 3.642 1.472) 4.116 2.958 ( 2.045 0.171 -0.725) 2.176 3.030 ( 0.671 -0.635 -4.460) 4.555 3.092 ( -0.052 3.155 1.195) 3.374 3.177 ( -2.022 1.677 0.949) 2.794 3.339 ( 2.024 1.716 -2.936) 3.957 3.381 ( -0.811 -1.125 3.991) 4.225 3.535 ( -1.734 1.930 -5.903) 6.448 3.615 ( -6.999 0.428 -1.804) 7.240 3.717 ( 0.885 -0.874 4.302) 4.478 3.828 ( 2.667 -4.337 1.449) 5.294 4.069 ( 4.510 -3.170 1.706) 5.771 4.207 ( 4.396 -0.910 6.388) 7.807 4.468 ( 1.108 1.080 3.699) 4.009 4.538 ( -1.455 0.486 3.577) 3.892 4.747 ( -3.742 0.609 -5.495) 6.676 5.141 ( -1.168 3.632 -1.219) 4.005 5.262 ( 1.500 -0.025 4.597) 4.836 5.366 ( 0.155 -0.535 4.776) 4.809 5.643 ( -1.452 -1.574 -5.862) 6.241 5.740 ( -0.732 -0.424 0.215) 0.873 5.913 ( 0.194 -0.752 -2.117) 2.255 6.129 ( -6.440 3.372 -9.056) 11.613 7.715 ( 0.485 -0.530 0.788) 1.067 10.192 ( 0.795 3.472 -0.643) 3.619 10.719 ( -2.510 -1.520 -0.607) 2.996 11.037 ( -2.136 -4.864 4.201) 6.772 11.349 ( 3.891 2.033 -4.926) 6.598 11.521 ( 0.389 -0.178 0.411) 0.593 11.614 ( 4.225 -1.365 3.878) 5.895 ======================= Grid point 205 (98/129) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -3.381 4.383 1.735) 5.801 1.444 ( -0.607 3.211 -6.016) 6.846 1.588 ( -0.873 0.450 -0.908) 1.337 1.659 ( -2.689 -0.175 2.314) 3.552 2.086 ( 2.745 -1.960 -0.702) 3.446 2.145 ( 3.156 -0.657 1.760) 3.673 2.370 ( 1.263 -4.243 4.525) 6.330 2.419 ( -1.812 0.679 2.037) 2.810 2.550 ( -5.224 0.251 1.849) 5.547 2.611 ( 3.752 1.486 -2.448) 4.721 2.639 ( -2.263 2.664 -1.788) 3.926 2.735 ( -0.417 0.507 0.112) 0.666 2.881 ( 3.480 -2.273 4.366) 6.028 2.965 ( -0.093 0.920 -1.666) 1.905 3.008 ( -0.353 1.613 -2.228) 2.773 3.083 ( 0.910 0.260 1.762) 2.000 3.134 ( -0.269 1.518 -1.237) 1.976 3.264 ( -3.706 0.585 -6.164) 7.216 3.387 ( -4.404 -2.795 3.041) 6.038 3.449 ( 3.492 1.132 -3.596) 5.139 3.652 ( 5.342 0.984 -0.036) 5.432 3.711 ( -1.604 -3.467 -3.519) 5.194 3.969 ( 3.246 -0.337 6.338) 7.129 4.136 ( 0.430 -2.526 -1.379) 2.910 4.264 ( 0.026 2.340 0.955) 2.527 4.462 ( 0.807 1.190 1.204) 1.875 4.593 ( 0.598 -2.013 2.969) 3.637 4.667 ( -1.192 1.149 1.008) 1.938 5.065 ( -1.945 0.891 -2.046) 2.960 5.338 ( 1.837 0.025 2.332) 2.969 5.421 ( 2.179 0.357 8.186) 8.479 5.579 ( -3.199 -1.090 -7.164) 7.921 5.707 ( -1.420 0.695 -1.412) 2.119 5.906 ( 0.037 -0.078 0.034) 0.093 6.009 ( -2.008 -0.072 -4.838) 5.239 7.730 ( 0.261 -0.374 0.222) 0.507 10.172 ( -0.738 0.777 0.780) 1.325 10.708 ( 0.909 -0.290 -1.519) 1.794 11.081 ( -1.722 -3.479 3.408) 5.165 11.325 ( 0.566 3.039 -2.971) 4.288 11.524 ( 0.044 0.205 0.154) 0.260 11.690 ( 2.334 -0.963 0.315) 2.544 ======================= Grid point 206 (99/129) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -4.685 2.227 10.277) 11.512 1.343 ( -10.167 3.385 5.031) 11.838 1.505 ( -0.012 4.289 0.348) 4.303 1.649 ( -3.473 -2.071 2.602) 4.809 2.143 ( 0.892 -0.100 -6.047) 6.114 2.195 ( 2.418 -0.651 -2.859) 3.800 2.341 ( -4.909 3.377 -0.720) 6.002 2.434 ( -0.617 -1.341 6.457) 6.623 2.465 ( -2.898 2.516 -0.124) 3.840 2.597 ( -0.544 3.489 -1.168) 3.719 2.660 ( 3.464 -0.876 1.108) 3.741 2.760 ( 4.993 -1.166 1.613) 5.375 2.914 ( -0.963 0.639 -4.267) 4.421 2.947 ( -0.221 -0.583 -1.250) 1.397 2.997 ( 0.231 -1.494 -0.068) 1.514 3.121 ( 0.119 -3.447 -0.537) 3.490 3.157 ( 0.838 -4.404 1.953) 4.890 3.266 ( 5.798 1.075 3.631) 6.925 3.387 ( -0.549 -3.149 4.526) 5.541 3.499 ( 4.820 -0.271 -4.897) 6.877 3.627 ( -4.238 -2.050 -2.916) 5.538 3.756 ( 5.263 -0.520 -2.785) 5.977 3.947 ( -5.244 5.355 -5.231) 9.140 4.047 ( -2.206 6.219 1.345) 6.734 4.296 ( 0.303 -1.745 -0.868) 1.972 4.517 ( 0.550 -4.635 -0.580) 4.703 4.582 ( 0.761 2.603 -0.036) 2.712 4.680 ( 1.205 0.325 1.630) 2.053 5.075 ( 1.763 -2.194 3.419) 4.428 5.328 ( -2.361 -0.071 -1.291) 2.692 5.481 ( -2.840 -0.098 -6.772) 7.344 5.521 ( 2.753 0.931 7.001) 7.581 5.734 ( 3.044 -1.111 1.542) 3.589 5.897 ( -0.847 1.287 -0.840) 1.755 5.990 ( 1.098 -1.367 3.408) 3.833 7.731 ( -0.277 -0.063 -0.683) 0.739 10.164 ( -2.355 -1.636 2.067) 3.535 10.731 ( 4.290 0.789 -1.813) 4.724 11.096 ( -0.404 -0.004 -0.224) 0.462 11.272 ( -3.429 1.614 1.354) 4.025 11.522 ( -0.071 0.491 0.093) 0.505 11.698 ( -0.470 -0.243 -4.325) 4.357 ======================= Grid point 207 (100/129) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -6.812 3.137 16.601) 18.217 1.234 ( -7.907 -1.939 15.209) 17.251 1.524 ( 5.413 4.504 0.836) 7.092 1.636 ( -2.714 -0.565 3.897) 4.782 2.043 ( -9.277 4.081 -0.100) 10.135 2.100 ( -3.433 3.664 -1.046) 5.128 2.282 ( -0.177 -2.094 -8.062) 8.331 2.412 ( -1.350 1.549 -4.499) 4.946 2.495 ( -0.104 -1.298 4.405) 4.594 2.546 ( 1.204 3.488 -2.438) 4.423 2.668 ( 0.998 2.686 -0.043) 2.866 2.860 ( 2.185 -1.673 -2.154) 3.495 2.929 ( 0.196 1.242 0.531) 1.365 2.986 ( 5.182 -9.517 -0.741) 10.862 3.011 ( 0.762 -1.039 0.335) 1.331 3.151 ( -0.016 -3.650 -1.709) 4.030 3.187 ( -1.205 -1.251 0.513) 1.812 3.332 ( -2.868 -0.480 -4.451) 5.316 3.446 ( -1.253 -5.320 -2.055) 5.839 3.525 ( 9.722 3.776 7.403) 12.790 3.699 ( 4.932 -1.349 2.869) 5.863 3.746 ( -3.460 4.177 -5.834) 7.966 3.797 ( 2.240 -0.529 0.430) 2.341 3.985 ( -1.284 4.970 0.176) 5.136 4.226 ( -4.301 1.321 -8.950) 10.017 4.463 ( -2.123 2.297 -1.975) 3.699 4.619 ( -1.545 -5.095 -1.499) 5.531 4.738 ( 3.709 1.821 1.618) 4.438 5.172 ( -0.781 -5.832 1.759) 6.141 5.303 ( 2.196 -1.143 0.431) 2.513 5.408 ( -1.513 0.977 -5.263) 5.562 5.550 ( -1.456 2.800 4.571) 5.554 5.757 ( 1.830 1.883 -0.260) 2.639 5.876 ( -0.701 0.914 1.357) 1.779 6.158 ( 9.510 -4.303 10.856) 15.060 7.715 ( -0.711 0.244 -1.067) 1.305 10.174 ( -2.218 -3.419 3.484) 5.362 10.789 ( 6.853 0.961 -1.972) 7.196 11.066 ( 0.901 3.510 -3.653) 5.146 11.225 ( -5.777 -1.209 4.970) 7.716 11.513 ( -0.372 0.672 -0.304) 0.826 11.607 ( -5.519 1.898 -7.292) 9.340 ======================= Grid point 208 (101/129) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -3.132 0.878 15.643) 15.977 1.323 ( -4.824 -0.502 20.819) 21.376 1.549 ( 4.766 2.479 -0.606) 5.406 1.643 ( -0.937 0.422 -0.094) 1.032 1.922 ( -4.768 -1.021 6.423) 8.064 2.028 ( -0.335 5.417 0.910) 5.503 2.245 ( -1.334 -3.100 -8.092) 8.768 2.305 ( -2.729 2.890 -6.628) 7.729 2.499 ( 0.491 1.636 -1.738) 2.437 2.564 ( 2.729 -0.471 4.573) 5.346 2.670 ( -2.002 -1.152 -0.355) 2.337 2.854 ( -1.563 -1.585 -3.535) 4.177 2.893 ( -1.018 2.924 -0.604) 3.155 3.026 ( -1.744 -2.443 -3.212) 4.396 3.088 ( 2.112 0.765 0.022) 2.247 3.143 ( -0.283 -1.868 -0.810) 2.055 3.191 ( -0.850 0.543 -2.822) 2.997 3.300 ( 3.187 -5.809 -0.053) 6.626 3.478 ( -6.373 -1.324 -8.241) 10.502 3.606 ( 6.984 3.831 0.091) 7.967 3.663 ( 1.600 -2.208 3.197) 4.202 3.743 ( 0.162 2.811 -1.063) 3.009 3.876 ( -3.739 1.472 -3.638) 5.421 3.988 ( 6.495 -6.293 5.374) 10.520 4.130 ( 4.677 6.854 0.773) 8.333 4.419 ( -0.583 0.792 -1.523) 1.813 4.599 ( -6.070 -3.723 -4.037) 8.186 4.726 ( -1.027 3.183 2.769) 4.342 5.129 ( -6.420 -4.033 -7.589) 10.727 5.307 ( -5.133 2.721 -2.420) 6.294 5.373 ( 1.683 0.021 -0.709) 1.827 5.623 ( 6.592 -1.967 9.193) 11.482 5.784 ( 2.731 1.590 1.626) 3.554 5.868 ( -0.458 0.639 1.139) 1.384 6.422 ( 10.837 -3.588 5.929) 12.864 7.696 ( -0.512 0.256 -0.709) 0.911 10.222 ( 0.246 -3.514 3.362) 4.869 10.879 ( 7.816 0.139 -1.652) 7.990 11.013 ( -0.143 2.924 -2.773) 4.032 11.204 ( -3.665 -2.077 3.759) 5.646 11.392 ( -10.658 4.196 -5.498) 12.705 11.509 ( -0.280 0.729 -0.275) 0.828 ======================= Grid point 210 (102/129) ======================= q-point: ( 0.12 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 7.198 -0.000 -9.995) 12.317 1.471 ( -4.130 0.000 -0.350) 4.145 1.574 ( 1.538 -0.000 -4.541) 4.795 1.627 ( 3.716 -0.000 8.258) 9.055 1.897 ( 4.494 -0.000 -0.556) 4.528 2.172 ( -3.607 0.000 5.729) 6.770 2.183 ( 1.949 -0.000 -3.179) 3.729 2.264 ( 4.783 -0.000 -4.083) 6.289 2.452 ( -1.689 0.000 0.699) 1.828 2.660 ( 1.698 -0.000 -8.009) 8.187 2.710 ( -1.558 0.000 -2.101) 2.616 2.843 ( 1.679 -0.000 0.963) 1.936 2.877 ( 2.279 -0.000 3.324) 4.030 3.029 ( 4.489 -0.000 7.502) 8.742 3.058 ( -1.821 0.000 -1.279) 2.225 3.141 ( -2.070 0.000 0.682) 2.179 3.162 ( 0.012 -0.000 -0.308) 0.308 3.272 ( -1.973 0.000 0.477) 2.030 3.491 ( 5.410 -0.000 5.479) 7.700 3.498 ( -3.890 0.000 1.401) 4.135 3.550 ( -3.501 0.000 6.656) 7.521 3.839 ( -0.906 0.000 -7.906) 7.958 3.868 ( 2.762 -0.000 3.053) 4.117 3.987 ( -6.756 0.000 -4.982) 8.394 4.060 ( -1.281 0.000 -1.066) 1.667 4.407 ( 1.509 -0.000 0.988) 1.803 4.599 ( 1.016 -0.000 7.044) 7.117 4.771 ( 0.335 -0.000 -5.111) 5.122 5.123 ( 5.824 -0.000 9.668) 11.287 5.269 ( -0.605 0.000 6.200) 6.230 5.371 ( -1.625 0.000 -2.058) 2.623 5.668 ( -2.842 0.000 -7.776) 8.279 5.752 ( -2.931 0.000 -1.500) 3.293 5.885 ( 0.840 -0.000 -0.739) 1.118 6.410 ( -8.416 0.000 -9.911) 13.002 7.693 ( 0.402 -0.000 0.603) 0.724 10.302 ( 0.660 -0.000 -3.894) 3.950 10.740 ( -6.063 0.000 1.690) 6.294 10.929 ( -2.495 0.000 3.288) 4.127 11.337 ( 7.253 -0.000 -3.301) 7.969 11.442 ( 6.888 -0.000 5.765) 8.982 11.515 ( 0.924 -0.000 -0.099) 0.929 ======================= Grid point 211 (103/129) ======================= q-point: ( 0.25 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -8.092 -1.279 -7.702) 11.244 1.479 ( 11.346 -0.739 -11.000) 15.820 1.615 ( 5.209 0.780 -3.014) 6.068 1.703 ( 3.720 4.894 3.181) 6.922 1.962 ( 2.998 -1.680 4.192) 5.421 2.171 ( -2.003 0.340 0.404) 2.071 2.189 ( 0.587 -1.813 4.799) 5.163 2.350 ( 3.527 -0.122 4.704) 5.880 2.460 ( -1.341 -5.248 0.614) 5.451 2.617 ( -0.904 -0.770 -7.436) 7.530 2.633 ( -4.784 -2.515 -3.524) 6.452 2.842 ( 0.208 1.588 -2.246) 2.759 2.919 ( -0.199 1.699 3.179) 3.610 3.016 ( -1.969 5.955 -0.607) 6.302 3.045 ( -0.316 1.192 -3.194) 3.424 3.151 ( -0.182 0.619 2.570) 2.650 3.211 ( 4.189 1.008 3.923) 5.827 3.248 ( -2.914 -4.898 -2.043) 6.054 3.436 ( -3.033 2.095 1.522) 3.988 3.536 ( 5.159 -1.098 1.582) 5.506 3.647 ( -9.206 1.868 -3.089) 9.888 3.714 ( 6.783 -1.716 5.768) 9.068 3.817 ( -3.878 4.135 -3.716) 6.778 3.995 ( 4.124 -3.629 -2.802) 6.166 4.176 ( 7.276 -1.481 10.159) 12.583 4.435 ( 0.933 -1.636 0.847) 2.065 4.611 ( -2.577 3.224 5.220) 6.654 4.744 ( -0.749 -0.434 -4.829) 4.906 5.208 ( -4.705 2.767 -0.846) 5.524 5.253 ( -0.071 -1.091 4.593) 4.721 5.361 ( 1.309 -0.020 4.849) 5.023 5.622 ( 1.314 -0.465 -5.805) 5.970 5.710 ( -2.063 -1.735 -0.704) 2.786 5.893 ( 0.608 -0.744 -1.397) 1.696 6.185 ( -9.958 1.675 -10.494) 14.563 7.707 ( 0.512 -0.213 1.061) 1.198 10.259 ( -1.283 2.388 -2.067) 3.409 10.696 ( -1.337 -0.611 -0.218) 1.486 10.943 ( -2.049 -3.211 4.551) 5.935 11.407 ( 7.462 2.587 -4.503) 9.091 11.517 ( 0.931 -0.146 0.051) 0.943 11.577 ( 2.772 -1.812 5.550) 6.463 ======================= Grid point 212 (104/129) ======================= q-point: ( 0.38 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -7.436 -4.130 -6.437) 10.667 1.528 ( 5.293 4.496 -8.873) 11.268 1.659 ( 5.921 1.766 -2.346) 6.609 1.709 ( 2.647 7.576 3.712) 8.842 2.059 ( 1.840 -2.604 2.950) 4.344 2.122 ( -3.175 0.143 1.914) 3.710 2.270 ( -0.341 -5.431 4.057) 6.787 2.402 ( 0.336 -0.441 3.403) 3.448 2.496 ( -4.439 -4.202 2.732) 6.696 2.589 ( -1.390 -3.715 -0.389) 3.985 2.620 ( 3.154 -5.628 -6.641) 9.259 2.756 ( -4.167 4.196 -2.521) 6.428 2.859 ( -3.644 1.114 0.979) 3.935 2.995 ( 2.750 -0.490 -2.186) 3.547 3.026 ( -0.019 1.406 -1.917) 2.377 3.159 ( 1.104 5.568 1.822) 5.962 3.209 ( 0.567 -2.356 -2.185) 3.263 3.245 ( 0.496 3.968 -1.794) 4.382 3.370 ( -7.174 1.573 0.072) 7.345 3.472 ( -0.041 -0.046 -0.745) 0.747 3.671 ( -0.335 1.176 -3.098) 3.330 3.746 ( 5.115 5.847 3.349) 8.460 3.907 ( 8.354 -4.885 8.005) 12.560 4.058 ( 2.553 -4.117 -3.424) 5.932 4.303 ( 1.450 1.184 1.531) 2.418 4.506 ( 2.059 -3.274 4.766) 6.138 4.553 ( -2.561 4.426 0.954) 5.202 4.692 ( -1.286 0.331 -1.921) 2.335 5.082 ( -4.520 0.771 -2.947) 5.451 5.313 ( 0.343 -1.943 2.307) 3.036 5.436 ( 3.094 0.810 8.280) 8.876 5.574 ( -1.657 0.738 -6.363) 6.617 5.708 ( -1.875 -1.315 -0.468) 2.337 5.890 ( -0.513 -0.851 -1.219) 1.573 5.999 ( -5.451 -0.574 -5.022) 7.434 7.723 ( 0.275 -0.258 0.815) 0.898 10.200 ( -2.695 1.629 -0.521) 3.192 10.704 ( 2.520 -0.087 -1.171) 2.780 10.990 ( -1.920 -4.295 5.373) 7.141 11.424 ( 4.668 5.558 -4.033) 8.304 11.526 ( 0.519 -0.008 -0.281) 0.590 11.652 ( 0.504 -2.763 2.128) 3.524 ======================= Grid point 213 (105/129) ======================= q-point: (-0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -5.347 -6.903 -1.697) 8.895 1.434 ( -5.136 7.830 1.177) 9.438 1.634 ( -0.369 7.819 -1.376) 7.948 1.690 ( 1.023 4.806 4.589) 6.724 2.102 ( -3.792 -4.069 -4.330) 7.049 2.151 ( 8.084 -1.975 -1.001) 8.382 2.354 ( 0.479 -5.144 3.629) 6.313 2.416 ( -2.073 1.592 2.639) 3.715 2.469 ( -6.186 -3.077 2.009) 7.195 2.603 ( -1.017 -2.301 -0.645) 2.597 2.640 ( 1.632 0.346 -1.890) 2.521 2.741 ( 1.683 -2.553 -0.039) 3.058 2.844 ( -1.376 -5.948 -2.234) 6.501 2.973 ( -1.443 2.753 -1.571) 3.483 3.017 ( 1.274 1.782 0.891) 2.365 3.111 ( -0.389 3.117 -0.715) 3.221 3.158 ( 0.541 2.930 -2.909) 4.164 3.247 ( -2.982 -0.300 1.211) 3.233 3.350 ( 5.560 0.189 5.523) 7.839 3.513 ( 3.780 -0.328 -2.441) 4.511 3.603 ( -2.612 -0.295 -1.762) 3.164 3.796 ( 6.509 4.412 -0.602) 7.886 4.007 ( -0.870 0.609 -3.857) 4.000 4.137 ( 1.097 1.906 2.157) 3.081 4.275 ( 0.533 -0.365 -1.334) 1.482 4.457 ( -2.670 0.840 -2.435) 3.710 4.601 ( 1.578 -2.108 1.400) 2.982 4.689 ( 0.953 0.360 1.120) 1.514 5.039 ( -0.797 -1.077 1.083) 1.723 5.316 ( -2.788 -1.216 -1.268) 3.296 5.485 ( -2.066 0.521 -6.363) 6.710 5.545 ( 3.715 0.955 8.652) 9.464 5.701 ( 1.365 -1.154 0.861) 1.984 5.894 ( -0.998 -1.512 -0.164) 1.820 5.952 ( -2.035 -2.316 1.895) 3.619 7.729 ( -0.130 -0.065 0.026) 0.148 10.145 ( -3.674 -0.215 0.307) 3.693 10.750 ( 5.458 0.957 -1.237) 5.678 11.041 ( -2.114 -3.744 5.084) 6.658 11.374 ( 0.406 6.724 -2.119) 7.062 11.529 ( 0.335 0.231 -0.251) 0.478 11.675 ( -0.376 -2.105 -3.015) 3.696 ======================= Grid point 214 (106/129) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -4.421 -7.187 5.291) 9.960 1.289 ( -7.824 6.827 10.777) 14.965 1.569 ( -0.273 3.120 0.891) 3.257 1.709 ( 5.292 6.527 4.725) 9.640 2.032 ( -4.850 -4.016 -7.916) 10.115 2.230 ( 2.024 3.085 -0.916) 3.802 2.279 ( -7.570 5.897 -0.672) 9.620 2.435 ( -2.097 -2.676 2.361) 4.139 2.452 ( 0.478 -2.334 0.032) 2.383 2.607 ( -1.288 2.513 0.354) 2.846 2.676 ( 1.825 -3.924 0.380) 4.344 2.805 ( 3.290 -2.954 -2.254) 4.963 2.842 ( 0.138 -3.422 -3.276) 4.739 2.953 ( 0.911 -0.313 0.011) 0.963 3.009 ( 0.728 1.339 1.098) 1.878 3.094 ( 1.034 0.205 -0.840) 1.348 3.186 ( -3.740 0.594 2.908) 4.775 3.241 ( 4.115 -5.212 2.871) 7.235 3.381 ( -5.338 -0.557 -5.057) 7.375 3.586 ( 8.535 0.450 2.713) 8.967 3.663 ( 7.623 -1.074 5.531) 9.480 3.820 ( 3.000 3.625 -4.973) 6.847 3.872 ( -4.333 5.666 -5.365) 8.925 4.073 ( -3.902 3.551 -3.194) 6.168 4.237 ( -2.151 0.005 -4.921) 5.371 4.448 ( -1.605 -2.956 -1.033) 3.518 4.588 ( -1.510 1.734 -1.486) 2.737 4.765 ( 5.985 -0.061 2.080) 6.336 5.069 ( -1.931 -3.911 1.986) 4.793 5.274 ( -1.098 -1.271 -0.892) 1.902 5.425 ( -0.781 0.684 -4.646) 4.761 5.611 ( 0.635 2.843 5.665) 6.370 5.758 ( 1.856 -1.603 -0.638) 2.534 5.885 ( -0.996 -0.426 1.553) 1.894 6.047 ( 4.551 -6.201 8.706) 11.617 7.721 ( -0.438 0.334 -0.562) 0.787 10.111 ( -3.393 -2.434 1.238) 4.356 10.820 ( 7.284 1.852 -1.267) 7.622 11.071 ( -2.055 -2.144 3.080) 4.279 11.282 ( -3.259 5.779 0.892) 6.694 11.527 ( 0.075 0.582 -0.271) 0.647 11.633 ( -1.904 0.479 -7.039) 7.307 ======================= Grid point 215 (107/129) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -4.533 -3.084 9.093) 10.618 1.304 ( 0.238 0.462 18.401) 18.408 1.560 ( -0.188 0.164 0.935) 0.968 1.754 ( 5.920 8.239 1.766) 10.298 1.923 ( -4.542 0.257 -10.176) 11.147 2.117 ( -5.467 2.925 5.545) 8.318 2.217 ( 0.224 1.293 -0.700) 1.487 2.381 ( -2.462 4.421 -3.980) 6.437 2.505 ( 0.263 -3.601 4.323) 5.633 2.580 ( -0.186 2.784 0.056) 2.791 2.651 ( -1.142 0.853 -4.410) 4.634 2.813 ( -1.908 -1.683 -2.823) 3.800 2.950 ( 3.590 -5.813 0.238) 6.836 2.982 ( 2.431 2.353 -0.675) 3.450 3.033 ( 1.822 -1.483 0.521) 2.406 3.131 ( -3.787 -2.701 2.552) 5.306 3.141 ( -0.431 -3.707 1.027) 3.871 3.250 ( 0.150 2.901 -4.079) 5.008 3.401 ( 1.455 -5.156 -0.119) 5.359 3.623 ( -3.336 0.299 -5.740) 6.646 3.704 ( 1.743 1.583 -4.184) 4.801 3.817 ( 0.472 5.118 -0.256) 5.146 3.896 ( 9.429 -2.340 7.120) 12.045 3.919 ( -4.968 1.982 -3.304) 6.286 4.226 ( 4.738 1.725 -1.916) 5.394 4.423 ( -2.706 -0.994 -1.579) 3.287 4.543 ( -2.240 -0.043 -1.137) 2.513 4.803 ( -0.093 3.819 1.400) 4.068 5.041 ( -5.450 -3.603 -4.018) 7.670 5.333 ( 2.062 -2.810 -0.102) 3.487 5.361 ( -2.304 0.690 -2.774) 3.672 5.616 ( 1.221 1.900 5.205) 5.674 5.800 ( 2.555 -0.504 1.319) 2.919 5.886 ( -0.703 0.706 1.798) 2.056 6.288 ( 8.064 -9.134 6.461) 13.792 7.706 ( -0.410 0.635 -0.483) 0.896 10.124 ( -1.317 -4.946 1.948) 5.476 10.900 ( 7.603 1.955 -1.280) 7.954 11.060 ( -2.561 0.586 -0.296) 2.644 11.198 ( -4.191 2.390 4.742) 6.765 11.489 ( -3.122 4.089 -5.916) 7.840 11.535 ( -0.837 1.816 -2.311) 3.056 ======================= Grid point 216 (108/129) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.524 -2.563 10.391) 10.716 1.438 ( -0.528 2.233 15.662) 15.829 1.571 ( 1.098 0.357 1.745) 2.093 1.695 ( -0.367 9.223 0.438) 9.241 1.811 ( -0.267 -4.467 -14.349) 15.030 2.109 ( 0.700 -2.663 -4.320) 5.123 2.246 ( 2.054 3.361 7.661) 8.614 2.284 ( -1.136 5.231 1.891) 5.677 2.521 ( 0.142 2.141 1.149) 2.434 2.579 ( -2.857 -1.223 0.122) 3.110 2.631 ( 4.606 -1.314 -1.364) 4.980 2.787 ( -0.856 -1.507 -2.864) 3.348 2.933 ( -1.853 4.347 1.983) 5.125 2.994 ( 0.834 1.246 -2.829) 3.202 3.093 ( -0.901 -4.696 -0.142) 4.784 3.135 ( -0.200 -2.392 5.642) 6.131 3.156 ( -0.710 -0.345 -1.816) 1.980 3.301 ( 4.377 -3.956 -1.483) 6.083 3.322 ( -5.000 2.267 -8.328) 9.975 3.591 ( -2.769 -3.306 -2.931) 5.214 3.640 ( -3.840 -2.521 -2.989) 5.480 3.778 ( 3.590 6.797 0.282) 7.692 3.910 ( -1.045 -0.205 3.960) 4.101 4.043 ( 4.200 -2.236 1.662) 5.040 4.274 ( 3.863 3.728 -0.849) 5.436 4.382 ( -2.830 -2.092 -1.171) 3.709 4.504 ( -1.683 1.323 0.219) 2.152 4.780 ( 1.016 1.804 5.636) 6.004 4.959 ( -4.024 -1.652 -6.572) 7.881 5.263 ( -2.995 2.260 0.067) 3.753 5.384 ( 0.684 -0.298 -0.450) 0.871 5.698 ( 2.325 -3.719 2.431) 5.015 5.838 ( 0.570 0.631 1.687) 1.889 5.880 ( 0.159 1.017 0.783) 1.293 6.493 ( 4.302 -7.700 -0.781) 8.855 7.693 ( -0.108 0.549 -0.189) 0.591 10.196 ( 1.479 -6.551 0.554) 6.739 10.952 ( -2.140 1.165 0.196) 2.445 10.993 ( -0.747 1.579 -0.223) 1.761 11.200 ( 1.688 0.410 4.120) 4.471 11.329 ( -1.755 7.738 -4.865) 9.307 11.516 ( 0.150 1.048 -0.287) 1.097 ======================= Grid point 219 (109/129) ======================= q-point: ( 0.25 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -8.942 0.000 -8.831) 12.568 1.573 ( 11.928 -0.000 -9.289) 15.118 1.686 ( 4.310 -0.000 -0.235) 4.317 1.831 ( 4.847 -0.000 3.481) 5.967 1.992 ( 2.133 -0.000 0.158) 2.139 2.161 ( -7.610 0.000 4.953) 9.080 2.180 ( 0.147 -0.000 1.505) 1.512 2.411 ( -0.667 0.000 0.230) 0.705 2.445 ( -0.701 0.000 4.731) 4.783 2.532 ( -2.414 0.000 -1.504) 2.844 2.541 ( 1.730 -0.000 -3.683) 4.069 2.827 ( -2.101 0.000 -3.519) 4.099 2.869 ( -10.684 0.000 -1.730) 10.823 2.984 ( 1.111 -0.000 -1.639) 1.980 3.036 ( -0.497 0.000 -2.572) 2.619 3.161 ( 3.265 -0.000 -3.689) 4.927 3.235 ( 4.408 -0.000 2.883) 5.267 3.298 ( 2.163 -0.000 2.248) 3.120 3.419 ( -1.573 0.000 0.141) 1.580 3.443 ( -9.600 0.000 -1.312) 9.689 3.705 ( -3.808 0.000 -4.669) 6.025 3.810 ( 14.920 -0.000 11.858) 19.059 3.859 ( 3.698 -0.000 3.002) 4.763 3.997 ( 4.387 -0.000 -5.535) 7.063 4.314 ( 2.002 -0.000 2.630) 3.305 4.460 ( 2.348 -0.000 3.934) 4.581 4.620 ( -1.574 0.000 4.513) 4.780 4.685 ( -3.117 0.000 -5.699) 6.496 5.092 ( -5.692 0.000 -3.232) 6.546 5.287 ( -0.456 0.000 2.427) 2.469 5.445 ( 3.137 -0.000 8.073) 8.661 5.593 ( -1.506 0.000 -5.724) 5.919 5.676 ( -0.218 0.000 0.425) 0.478 5.883 ( -0.183 0.000 -1.471) 1.482 5.993 ( -7.939 0.000 -6.009) 9.957 7.720 ( 0.280 -0.000 1.053) 1.090 10.220 ( -3.834 0.000 -1.041) 3.973 10.704 ( 3.318 -0.000 -1.251) 3.546 10.941 ( -1.169 0.000 5.824) 5.940 11.502 ( 8.236 -0.000 -6.000) 10.189 11.525 ( 0.800 -0.000 -0.580) 0.988 11.604 ( -2.872 0.000 5.167) 5.911 ======================= Grid point 220 (110/129) ======================= q-point: ( 0.38 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -7.606 -5.074 -7.687) 11.945 1.621 ( 1.728 8.779 -1.234) 9.032 1.731 ( 2.453 -0.230 2.287) 3.362 1.825 ( -0.100 7.902 -1.500) 8.044 2.004 ( -4.929 -5.100 -4.323) 8.306 2.115 ( 1.441 -1.627 4.630) 5.115 2.247 ( 2.819 -3.874 4.496) 6.570 2.388 ( -5.102 -2.608 -0.800) 5.785 2.423 ( 2.097 -1.061 -1.674) 2.886 2.539 ( -0.162 -2.248 2.901) 3.673 2.651 ( 4.635 0.215 -1.651) 4.924 2.716 ( -0.669 0.171 -0.446) 0.822 2.756 ( -5.964 -2.482 -2.602) 6.964 2.992 ( -0.711 -0.695 -1.119) 1.497 3.007 ( -1.177 -0.362 -1.465) 1.913 3.178 ( 1.583 -0.076 -5.322) 5.553 3.263 ( 0.853 9.045 1.723) 9.247 3.279 ( -6.382 1.158 1.571) 6.674 3.391 ( 7.783 1.463 4.871) 9.297 3.451 ( 0.757 -4.683 -0.131) 4.745 3.612 ( -2.909 0.749 -3.311) 4.470 3.902 ( 4.409 4.627 0.210) 6.394 3.991 ( 2.583 -1.570 -3.919) 4.950 4.144 ( 12.045 -0.120 8.042) 14.484 4.269 ( -3.944 -0.344 -4.860) 6.268 4.522 ( -2.718 1.751 -2.057) 3.832 4.548 ( -0.798 0.120 -1.008) 1.291 4.666 ( -1.062 -2.384 2.473) 3.596 5.033 ( -0.878 0.175 -0.125) 0.904 5.285 ( -1.341 -1.311 -0.939) 2.097 5.496 ( -3.372 0.394 -6.737) 7.544 5.555 ( 3.266 0.233 9.462) 10.013 5.695 ( 1.022 0.093 1.148) 1.540 5.865 ( -1.221 -0.626 -0.429) 1.438 5.904 ( -3.985 -2.016 1.172) 4.617 7.728 ( -0.035 -0.028 0.521) 0.523 10.148 ( -4.767 0.247 -0.634) 4.815 10.765 ( 6.388 0.452 -1.105) 6.499 10.982 ( -0.867 -1.669 6.450) 6.719 11.507 ( -0.123 6.065 -1.632) 6.282 11.531 ( 0.637 0.034 -0.632) 0.898 11.612 ( 0.434 -4.160 -2.521) 4.883 ======================= Grid point 221 (111/129) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -4.803 -11.453 -4.405) 13.178 1.464 ( -7.731 9.809 5.322) 13.577 1.701 ( -1.936 8.058 2.192) 8.572 1.823 ( 6.528 3.707 3.613) 8.331 1.935 ( -5.365 -4.415 -5.942) 9.143 2.224 ( 3.576 -2.228 1.335) 4.420 2.319 ( -6.325 -6.520 2.850) 9.521 2.388 ( 1.370 -2.756 -1.540) 3.442 2.436 ( 4.434 4.960 -1.926) 6.926 2.566 ( -2.940 -3.240 0.362) 4.390 2.645 ( 3.628 -0.886 0.961) 3.856 2.728 ( 1.641 -3.369 0.287) 3.758 2.794 ( 1.849 -0.867 -3.459) 4.017 2.953 ( -2.482 -0.088 -1.065) 2.702 2.991 ( -3.521 -2.520 0.411) 4.349 3.154 ( 0.283 -0.714 -1.320) 1.527 3.218 ( 0.751 3.358 6.916) 7.725 3.223 ( 1.252 6.299 0.355) 6.432 3.420 ( -2.134 3.307 -4.066) 5.658 3.535 ( 2.028 -4.858 2.405) 5.788 3.656 ( 9.703 0.103 3.587) 10.345 3.901 ( 3.051 4.076 -3.752) 6.325 3.965 ( -1.423 3.003 -4.831) 5.864 4.118 ( -5.704 0.831 -5.998) 8.319 4.245 ( -4.823 0.793 -6.627) 8.235 4.436 ( 2.205 2.474 2.001) 3.871 4.609 ( -0.499 -0.175 0.065) 0.533 4.706 ( 4.056 -5.520 2.407) 7.261 5.037 ( 0.006 0.697 1.745) 1.879 5.256 ( -2.110 -0.618 -1.970) 2.952 5.428 ( -1.047 -0.570 -4.684) 4.833 5.652 ( 1.564 1.087 7.685) 7.918 5.722 ( 1.942 -0.944 -0.127) 2.163 5.861 ( -0.861 -1.469 1.377) 2.190 5.928 ( -0.773 -5.074 6.178) 8.032 7.727 ( -0.168 0.226 -0.054) 0.287 10.080 ( -4.247 -0.747 -0.292) 4.322 10.855 ( 8.015 1.408 -0.774) 8.174 11.031 ( -1.077 -1.474 5.938) 6.213 11.397 ( -6.004 4.873 0.591) 7.756 11.534 ( 0.428 0.169 -0.533) 0.704 11.626 ( 2.025 -0.934 -6.900) 7.252 ======================= Grid point 222 (112/129) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -2.481 -13.824 -0.368) 14.050 1.363 ( -2.872 4.576 10.574) 11.874 1.637 ( 0.153 6.819 5.535) 8.784 1.846 ( -1.280 -0.303 -7.883) 7.991 1.932 ( 5.968 2.358 4.383) 7.771 2.187 ( -7.817 3.118 -3.793) 9.232 2.270 ( -3.161 0.209 2.346) 3.941 2.401 ( 0.795 -1.883 -1.346) 2.448 2.464 ( 1.642 2.519 1.198) 3.236 2.603 ( -0.689 -2.833 1.306) 3.195 2.657 ( 2.883 0.542 -5.978) 6.659 2.788 ( 0.298 -2.132 -1.738) 2.767 2.863 ( 5.651 -1.928 5.287) 7.976 2.916 ( -3.249 -4.984 -1.889) 6.242 2.985 ( -1.452 -2.904 2.008) 3.817 3.147 ( -1.090 3.606 4.742) 6.056 3.180 ( 1.816 5.518 -0.795) 5.863 3.288 ( -1.993 -0.598 -0.344) 2.109 3.360 ( 5.972 2.699 1.822) 6.802 3.589 ( -0.668 -3.061 -2.349) 3.916 3.760 ( -5.220 2.948 -6.515) 8.854 3.836 ( 4.509 -0.498 -0.482) 4.562 3.914 ( -3.020 0.845 -7.234) 7.884 3.968 ( 0.230 3.170 2.288) 3.916 4.194 ( 1.832 -3.841 -3.308) 5.390 4.433 ( -0.296 2.612 -1.087) 2.845 4.567 ( -2.070 1.182 -0.734) 2.494 4.845 ( 3.126 -0.709 3.159) 4.500 5.016 ( -1.590 1.664 -1.386) 2.687 5.248 ( -0.318 -3.806 1.049) 3.960 5.380 ( -1.809 0.441 -4.359) 4.741 5.669 ( -0.995 2.387 3.050) 3.998 5.772 ( 2.542 -1.711 1.406) 3.371 5.886 ( -0.193 -0.682 2.304) 2.410 6.081 ( 3.965 -10.447 6.365) 12.860 7.719 ( -0.164 0.644 -0.217) 0.699 10.047 ( -2.331 -2.555 0.301) 3.472 10.948 ( 7.897 2.469 -0.627) 8.298 11.059 ( -1.276 -0.140 3.741) 3.955 11.264 ( -7.318 3.159 2.301) 8.296 11.531 ( 0.073 0.672 -0.476) 0.827 11.586 ( 0.846 2.482 -7.742) 8.174 ======================= Grid point 223 (113/129) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.002 -11.719 2.333) 11.949 1.434 ( 2.236 -1.179 12.289) 12.546 1.632 ( 2.529 5.499 3.505) 6.994 1.766 ( -1.489 0.301 -8.585) 8.718 1.950 ( -5.208 12.339 1.458) 13.472 2.038 ( 2.426 -2.540 -3.577) 5.013 2.287 ( 1.985 1.706 4.294) 5.029 2.372 ( -1.875 2.908 -4.036) 5.316 2.474 ( -1.091 -6.072 1.973) 6.477 2.588 ( -2.309 1.634 2.533) 3.797 2.696 ( 6.385 3.883 -2.388) 7.846 2.760 ( -0.945 -0.858 -2.872) 3.143 2.949 ( -2.987 -8.556 0.442) 9.073 2.990 ( 3.679 -0.305 4.325) 5.686 3.003 ( -1.535 -1.038 0.841) 2.035 3.113 ( -0.833 3.117 6.060) 6.866 3.152 ( 1.372 3.507 -2.384) 4.457 3.279 ( 1.431 -0.348 -3.333) 3.644 3.392 ( 0.701 4.437 -2.067) 4.945 3.551 ( -2.749 -0.669 -4.562) 5.368 3.589 ( -5.585 -2.044 -4.089) 7.217 3.853 ( -0.831 -1.388 1.598) 2.274 3.895 ( 2.212 -0.753 -1.819) 2.962 4.018 ( 2.273 0.722 2.765) 3.651 4.291 ( 3.621 -4.905 0.373) 6.108 4.363 ( -2.441 3.010 -3.753) 5.395 4.532 ( -1.250 1.147 0.985) 1.962 4.837 ( -1.199 3.894 2.780) 4.933 4.963 ( -0.435 2.321 -2.997) 3.815 5.309 ( -2.792 1.560 -1.408) 3.494 5.321 ( 0.695 -5.455 0.993) 5.588 5.669 ( 1.355 0.563 1.145) 1.861 5.826 ( 0.228 -1.477 1.725) 2.283 5.897 ( 0.382 0.418 1.012) 1.160 6.286 ( 3.267 -12.041 0.956) 12.513 7.708 ( -0.122 0.865 -0.043) 0.874 10.073 ( 0.370 -4.887 0.389) 4.917 10.993 ( -1.689 2.842 1.115) 3.489 11.033 ( -0.150 2.209 -0.185) 2.222 11.212 ( 1.181 0.532 3.725) 3.944 11.477 ( -0.657 5.998 -5.032) 7.856 11.537 ( 0.261 0.910 -1.200) 1.529 ======================= Grid point 224 (114/129) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 3.040 -8.930 1.861) 9.615 1.534 ( 0.192 2.759 5.226) 5.913 1.657 ( 2.044 -3.391 -14.744) 15.266 1.700 ( 4.352 3.206 6.942) 8.799 1.751 ( -6.740 9.057 2.980) 11.677 2.097 ( 4.767 0.295 -1.548) 5.021 2.279 ( -1.790 3.346 1.486) 4.075 2.333 ( -0.546 0.378 -0.671) 0.944 2.530 ( -1.129 -4.869 2.007) 5.386 2.584 ( 2.785 0.731 0.635) 2.949 2.708 ( 6.318 5.814 -6.319) 10.661 2.772 ( 1.045 -2.579 0.351) 2.805 2.916 ( -5.527 -0.033 2.163) 5.935 2.996 ( -2.072 -0.313 0.788) 2.239 3.055 ( 2.184 -0.162 -1.425) 2.613 3.122 ( -0.459 -1.260 0.401) 1.400 3.175 ( -0.424 -1.046 5.676) 5.787 3.251 ( 1.853 0.614 -7.409) 7.662 3.329 ( 1.485 1.388 2.617) 3.314 3.512 ( -4.445 -2.523 2.047) 5.506 3.601 ( 1.376 -0.044 3.974) 4.206 3.860 ( -0.885 -0.637 1.489) 1.846 3.872 ( -0.366 3.536 -2.677) 4.450 4.062 ( 0.022 -2.271 -4.892) 5.394 4.216 ( -8.461 -0.292 -2.885) 8.944 4.376 ( 1.711 0.033 2.454) 2.991 4.514 ( -0.530 1.011 1.864) 2.186 4.859 ( 2.854 2.372 -0.839) 3.804 4.935 ( 3.002 0.062 3.437) 4.564 5.267 ( -1.314 1.704 3.328) 3.964 5.367 ( -0.708 -3.115 -0.324) 3.211 5.689 ( 0.978 -0.539 -2.073) 2.354 5.820 ( -3.011 -0.944 -0.247) 3.165 5.908 ( 1.311 1.185 -0.192) 1.777 6.396 ( -1.808 -9.565 -5.027) 10.955 7.699 ( 0.023 0.755 0.190) 0.779 10.151 ( 2.138 -6.467 -0.861) 6.866 10.877 ( -7.924 2.715 1.182) 8.459 11.032 ( 0.003 2.503 1.834) 3.102 11.290 ( 6.643 1.168 -1.879) 7.002 11.389 ( 1.799 5.649 1.086) 6.028 11.528 ( 0.365 0.845 -0.327) 0.976 ======================= Grid point 228 (115/129) ======================= q-point: ( 0.38 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -6.066 0.000 -7.549) 9.684 1.606 ( -11.119 0.000 0.706) 11.141 1.773 ( -1.124 0.000 8.505) 8.579 1.878 ( -1.744 0.000 -7.346) 7.550 1.880 ( 5.698 -0.000 -2.308) 6.147 2.177 ( 2.999 -0.000 7.663) 8.229 2.238 ( -6.056 0.000 2.909) 6.719 2.382 ( 5.289 -0.000 -3.523) 6.355 2.423 ( 2.058 -0.000 -4.445) 4.898 2.598 ( 5.501 -0.000 5.928) 8.088 2.601 ( -2.380 0.000 -3.340) 4.101 2.698 ( 0.969 -0.000 -0.227) 0.995 2.788 ( 3.972 -0.000 -0.980) 4.092 2.941 ( -4.676 0.000 0.316) 4.686 2.972 ( -2.236 0.000 -0.371) 2.266 3.144 ( -0.449 0.000 -2.897) 2.931 3.235 ( -2.462 0.000 2.738) 3.682 3.385 ( 4.857 -0.000 -1.638) 5.126 3.397 ( -0.028 0.000 3.580) 3.580 3.479 ( -3.108 0.000 1.155) 3.316 3.659 ( 10.141 -0.000 2.671) 10.487 3.964 ( 0.323 -0.000 -5.935) 5.944 3.980 ( 3.320 -0.000 -1.333) 3.577 4.122 ( -7.661 0.000 -8.036) 11.102 4.255 ( -6.867 0.000 -8.579) 10.989 4.527 ( 8.659 -0.000 8.114) 11.866 4.552 ( 1.303 -0.000 -0.698) 1.478 4.633 ( -3.386 0.000 0.036) 3.386 5.057 ( 1.982 -0.000 2.823) 3.449 5.247 ( -1.339 0.000 -3.027) 3.309 5.415 ( -1.745 0.000 -4.927) 5.227 5.663 ( 2.071 -0.000 9.181) 9.412 5.720 ( 0.434 -0.000 -0.188) 0.473 5.844 ( -0.623 0.000 1.134) 1.294 5.868 ( -2.345 0.000 4.885) 5.419 7.730 ( -0.059 0.000 0.161) 0.171 10.073 ( -4.601 0.000 -0.775) 4.666 10.870 ( 8.338 -0.000 -0.616) 8.361 11.016 ( -0.298 0.000 6.794) 6.801 11.453 ( -9.564 0.000 1.405) 9.667 11.535 ( 0.569 -0.000 -0.781) 0.966 11.611 ( 5.570 -0.000 -7.403) 9.264 ======================= Grid point 229 (116/129) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -2.725 -9.423 -5.651) 11.320 1.455 ( -6.787 3.309 3.847) 8.474 1.769 ( -0.646 4.454 -0.883) 4.587 1.821 ( -1.113 -0.792 1.008) 1.698 1.984 ( 6.334 1.591 4.906) 8.168 2.176 ( -6.768 -2.869 0.654) 7.380 2.265 ( 0.844 1.825 2.971) 3.587 2.353 ( 0.545 -1.809 -2.798) 3.376 2.468 ( 1.244 -6.414 -3.235) 7.291 2.597 ( 4.075 6.785 -0.869) 7.962 2.696 ( 2.513 -0.166 -0.897) 2.674 2.740 ( -3.900 -0.783 -5.495) 6.783 2.775 ( 3.108 -3.837 3.265) 5.920 2.912 ( -1.942 1.546 0.625) 2.560 2.950 ( 3.210 -1.142 4.268) 5.461 3.175 ( 2.922 -0.435 2.210) 3.689 3.235 ( 0.002 0.627 1.493) 1.619 3.370 ( -2.233 6.355 3.813) 7.741 3.414 ( 4.379 1.515 -0.488) 4.659 3.513 ( 0.948 -4.098 2.168) 4.732 3.794 ( 2.544 0.722 -0.179) 2.651 3.852 ( -8.047 1.220 -7.853) 11.310 3.935 ( -6.595 1.686 -10.910) 12.860 4.015 ( 2.596 1.859 0.544) 3.240 4.097 ( -1.746 -5.265 -6.654) 8.663 4.516 ( -0.300 4.490 -1.649) 4.793 4.579 ( -2.552 0.194 -0.559) 2.620 4.776 ( 8.584 -4.557 7.947) 12.554 5.088 ( 1.211 4.036 1.849) 4.601 5.200 ( -2.656 -1.409 -2.636) 3.999 5.372 ( -1.161 -0.908 -3.812) 4.086 5.696 ( -1.320 0.701 -0.085) 1.497 5.749 ( 1.394 -0.762 5.254) 5.489 5.868 ( 0.984 -0.699 2.318) 2.613 5.914 ( 0.657 -4.865 4.935) 6.961 7.729 ( 0.047 0.267 -0.031) 0.273 10.016 ( -2.781 -0.644 -0.547) 2.907 10.987 ( 8.663 1.134 -0.178) 8.739 11.059 ( -0.239 0.055 5.766) 5.771 11.310 ( -9.658 1.194 0.680) 9.755 11.537 ( 0.307 0.050 -0.586) 0.663 11.619 ( 2.832 0.793 -6.929) 7.528 ======================= Grid point 230 (117/129) ======================= q-point: (-0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 0.531 -15.712 -2.585) 15.932 1.429 ( 0.754 0.587 6.080) 6.155 1.707 ( -0.458 1.055 -4.743) 4.880 1.843 ( 3.174 6.604 5.784) 9.336 2.002 ( -7.141 0.005 -1.602) 7.319 2.130 ( 2.332 2.806 1.724) 4.036 2.299 ( 4.580 0.291 5.065) 6.835 2.390 ( 0.356 -1.053 -1.636) 1.978 2.448 ( -5.571 2.822 -2.778) 6.835 2.538 ( -4.186 -4.759 -1.076) 6.428 2.708 ( 5.168 -0.912 -5.026) 7.267 2.774 ( 3.388 -3.435 0.312) 4.835 2.786 ( -4.013 -1.183 -1.422) 4.418 2.905 ( 0.842 -3.953 0.880) 4.137 3.089 ( 4.997 5.718 6.292) 9.862 3.204 ( -0.145 3.491 3.463) 4.919 3.253 ( 2.842 1.185 -0.757) 3.171 3.301 ( 0.706 6.084 5.288) 8.092 3.485 ( 4.427 4.032 1.128) 6.093 3.542 ( -1.656 -2.184 -0.228) 2.750 3.550 ( -12.051 0.091 -12.409) 17.298 3.810 ( -2.364 -1.483 -1.988) 3.426 3.850 ( 1.462 -2.647 -1.709) 3.474 4.030 ( -0.125 -1.208 -0.617) 1.362 4.170 ( 2.129 -5.510 -0.536) 5.932 4.440 ( -0.893 4.263 -2.306) 4.929 4.548 ( -1.370 0.466 0.580) 1.559 4.925 ( 2.929 3.267 5.272) 6.859 5.029 ( -1.101 3.827 -3.507) 5.306 5.195 ( -1.112 -4.667 1.388) 4.994 5.336 ( -1.331 0.258 -1.933) 2.360 5.680 ( -0.009 -0.076 0.067) 0.102 5.800 ( 0.416 -0.703 2.676) 2.798 5.896 ( 0.583 -0.327 1.007) 1.209 6.048 ( 2.811 -10.261 1.474) 10.740 7.724 ( -0.003 0.649 -0.037) 0.650 10.006 ( -0.071 -1.941 -0.113) 1.945 11.057 ( -0.674 3.071 2.730) 4.164 11.074 ( 0.311 1.641 -0.175) 1.679 11.215 ( -0.133 -0.294 2.094) 2.119 11.534 ( -0.075 0.322 -0.180) 0.377 11.578 ( 0.265 2.619 -5.467) 6.068 ======================= Grid point 231 (118/129) ======================= q-point: (-0.25 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 2.607 -16.327 -0.402) 16.539 1.519 ( 5.489 -1.477 0.645) 5.721 1.667 ( 0.499 1.752 -2.795) 3.336 1.797 ( -2.706 5.517 -3.562) 7.103 1.891 ( -4.928 5.144 8.281) 10.923 2.174 ( 7.092 5.105 -0.548) 8.755 2.304 ( -3.620 -1.001 -3.860) 5.385 2.363 ( 0.427 2.077 1.694) 2.714 2.435 ( 0.422 -1.917 3.859) 4.329 2.555 ( -1.850 -5.087 3.358) 6.370 2.681 ( -1.942 -1.921 -4.991) 5.689 2.804 ( 4.128 -0.070 -3.105) 5.166 2.875 ( 2.490 -3.935 2.203) 5.152 2.953 ( -1.998 -2.722 -2.128) 3.992 3.036 ( -2.847 0.316 -1.098) 3.068 3.193 ( 0.294 3.748 -1.317) 3.984 3.233 ( 0.032 2.666 1.501) 3.060 3.264 ( 1.484 7.450 -3.175) 8.233 3.384 ( -1.345 3.043 2.572) 4.205 3.484 ( -5.160 -0.420 0.403) 5.193 3.614 ( 8.367 1.145 6.406) 10.599 3.824 ( -0.269 -2.330 2.390) 3.349 3.886 ( 0.891 -2.526 -4.234) 5.010 4.039 ( -0.236 -0.455 -0.939) 1.070 4.155 ( -8.412 -4.753 -1.746) 9.818 4.411 ( 2.127 3.221 0.245) 3.868 4.538 ( -0.595 0.940 2.196) 2.462 4.912 ( 1.150 3.477 0.074) 3.662 4.970 ( -0.665 2.334 -0.457) 2.470 5.251 ( -1.185 -4.726 1.408) 5.072 5.318 ( 0.113 0.445 1.595) 1.660 5.696 ( 1.902 -0.017 -0.495) 1.965 5.799 ( -2.467 -0.384 -0.396) 2.528 5.915 ( 1.248 -0.432 -0.456) 1.397 6.180 ( 0.566 -10.902 -3.615) 11.500 7.716 ( -0.022 0.840 0.121) 0.849 10.050 ( 2.245 -3.435 -0.023) 4.104 10.941 ( -7.704 3.270 0.198) 8.372 11.075 ( 0.396 1.965 1.668) 2.608 11.306 ( 8.021 0.412 0.144) 8.033 11.495 ( -1.538 4.217 -0.715) 4.545 11.538 ( 0.160 0.173 -0.906) 0.936 ======================= Grid point 232 (119/129) ======================= q-point: (-0.12 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 3.497 -14.289 -0.129) 14.711 1.542 ( 4.676 2.981 -12.435) 13.615 1.617 ( -1.876 2.154 -4.901) 5.673 1.700 ( -4.974 3.320 5.247) 7.956 1.896 ( 5.674 3.663 7.278) 9.929 2.185 ( 0.430 1.535 -0.446) 1.655 2.263 ( -1.725 4.280 2.627) 5.310 2.368 ( 0.204 1.533 3.602) 3.920 2.492 ( 3.341 -4.361 -0.123) 5.495 2.621 ( 2.717 -1.152 0.594) 3.010 2.686 ( -1.579 -7.855 -0.966) 8.070 2.798 ( -0.254 2.145 -3.857) 4.421 2.859 ( -2.635 -0.359 -1.906) 3.272 2.949 ( -0.886 -1.769 0.544) 2.052 3.051 ( 0.783 -2.266 -1.987) 3.114 3.110 ( -1.142 4.339 -3.570) 5.734 3.213 ( -2.061 3.771 4.336) 6.105 3.268 ( 4.458 -2.679 -3.082) 6.045 3.352 ( 0.330 -0.536 -3.534) 3.590 3.515 ( 0.975 -0.864 11.177) 11.253 3.684 ( 0.255 5.752 5.273) 7.807 3.820 ( -8.304 -2.764 -7.396) 11.458 3.874 ( -0.653 2.145 -2.112) 3.080 3.975 ( 3.601 2.273 1.840) 4.639 4.150 ( -0.398 -1.686 4.200) 4.543 4.417 ( 0.960 0.108 2.246) 2.446 4.536 ( -0.573 1.532 3.116) 3.519 4.848 ( -3.634 0.604 -6.063) 7.094 5.035 ( 5.548 -2.154 5.066) 7.815 5.262 ( -2.640 -1.666 1.526) 3.475 5.341 ( 0.211 -0.110 3.040) 3.049 5.708 ( 1.991 2.577 -3.540) 4.810 5.751 ( -3.365 -1.636 -0.546) 3.781 5.925 ( 0.867 0.090 -1.874) 2.067 6.212 ( -3.722 -7.821 -7.821) 11.670 7.712 ( 0.263 0.760 0.461) 0.927 10.127 ( 2.771 -4.197 -0.407) 5.046 10.808 ( -6.171 2.732 -0.077) 6.749 11.069 ( -0.489 2.459 2.616) 3.623 11.352 ( 2.903 2.802 -5.809) 7.073 11.492 ( 2.930 1.198 4.834) 5.778 11.543 ( 1.882 0.260 0.644) 2.006 ======================= Grid point 237 (120/129) ======================= q-point: (-0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.847 -0.000 -5.158) 5.227 1.439 ( -0.255 -0.000 3.790) 3.798 1.714 ( -1.180 -0.000 -5.883) 6.000 1.927 ( 5.446 -0.000 7.930) 9.620 2.002 ( -8.287 -0.000 2.099) 8.548 2.148 ( 3.001 -0.000 -0.451) 3.035 2.319 ( -0.761 -0.000 4.636) 4.698 2.359 ( 5.374 -0.000 2.358) 5.869 2.429 ( -1.636 -0.000 -1.020) 1.928 2.535 ( -8.428 -0.000 -9.908) 13.008 2.662 ( 0.650 -0.000 -0.538) 0.844 2.759 ( 2.602 -0.000 -2.242) 3.435 2.789 ( 1.821 -0.000 -0.137) 1.826 2.865 ( -0.421 -0.000 -0.099) 0.432 3.176 ( 8.481 -0.000 8.389) 11.929 3.211 ( 0.370 0.000 0.420) 0.560 3.261 ( 3.861 -0.000 0.590) 3.906 3.420 ( -0.389 -0.000 3.094) 3.118 3.434 ( -0.350 -0.000 5.281) 5.292 3.563 ( 4.399 0.000 -1.140) 4.544 3.576 ( -13.261 -0.000 -10.370) 16.835 3.786 ( -3.769 -0.000 -0.423) 3.793 3.832 ( -1.532 -0.000 -4.323) 4.586 3.987 ( -0.180 -0.000 -5.039) 5.042 4.116 ( 2.636 -0.000 0.199) 2.644 4.498 ( -1.663 -0.000 -1.294) 2.107 4.553 ( -0.927 -0.000 0.083) 0.931 4.932 ( 6.473 -0.000 7.099) 9.608 5.097 ( -4.746 -0.000 -5.717) 7.431 5.155 ( 0.486 -0.000 2.938) 2.978 5.329 ( -1.297 -0.000 -1.937) 2.331 5.675 ( -0.714 -0.000 -0.502) 0.872 5.794 ( 0.413 -0.000 4.034) 4.055 5.892 ( 0.827 -0.000 0.864) 1.196 5.933 ( 2.907 -0.000 0.791) 3.013 7.731 ( 0.068 -0.000 -0.049) 0.084 9.987 ( -0.187 -0.000 -0.294) 0.348 11.092 ( 0.765 -0.000 -0.167) 0.783 11.094 ( -0.121 -0.000 4.293) 4.295 11.208 ( -1.063 -0.000 0.504) 1.177 11.536 ( 0.071 -0.000 -0.463) 0.469 11.605 ( 0.217 -0.000 -4.810) 4.815 ======================= Grid point 239 (121/129) ======================= q-point: (-0.38 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 3.735 -10.848 -2.127) 11.669 1.510 ( 6.862 0.111 1.382) 7.000 1.684 ( 0.122 0.202 -0.287) 0.372 1.873 ( -8.610 1.945 0.250) 8.830 2.012 ( 2.010 5.157 3.977) 6.815 2.195 ( 5.228 -1.030 -0.271) 5.336 2.301 ( -5.066 1.570 -5.941) 7.965 2.372 ( -3.547 -5.697 4.431) 8.042 2.377 ( -4.164 -1.706 -1.188) 4.654 2.521 ( 6.766 3.584 6.073) 9.772 2.698 ( -4.093 1.339 -3.113) 5.314 2.717 ( 3.450 -4.401 -1.011) 5.683 2.828 ( 3.536 -1.498 -1.683) 4.193 2.922 ( 4.795 -0.219 -0.575) 4.834 3.076 ( -12.184 2.206 -5.699) 13.631 3.204 ( -2.668 -1.061 -0.420) 2.902 3.269 ( 0.748 1.461 -3.335) 3.717 3.387 ( -3.646 2.234 -0.470) 4.302 3.470 ( -4.042 -1.635 0.617) 4.403 3.533 ( 4.631 9.149 0.726) 10.280 3.634 ( 13.207 1.154 8.016) 15.492 3.782 ( 0.711 -1.618 4.506) 4.840 3.829 ( 0.235 -2.219 -1.101) 2.488 3.985 ( -0.138 -4.317 0.082) 4.320 4.080 ( -6.303 -1.675 -3.003) 7.180 4.486 ( 1.642 3.074 1.365) 3.743 4.551 ( -0.001 0.449 1.537) 1.602 4.934 ( -7.339 -1.846 -7.543) 10.685 5.050 ( 2.258 5.506 4.714) 7.592 5.179 ( 0.729 -2.189 0.978) 2.506 5.313 ( -1.239 -1.045 1.701) 2.349 5.681 ( 0.869 -0.684 0.657) 1.286 5.809 ( -0.188 0.641 -0.355) 0.756 5.900 ( 0.140 -0.659 -0.802) 1.048 6.003 ( 3.614 -5.283 -3.440) 7.267 7.729 ( -0.006 0.366 -0.038) 0.368 10.008 ( 2.354 -0.906 0.240) 2.534 10.992 ( -8.159 1.448 -0.730) 8.319 11.109 ( 0.023 1.093 1.578) 1.920 11.307 ( 8.887 -0.141 1.250) 8.975 11.533 ( -0.142 -0.005 -0.134) 0.195 11.557 ( -2.384 1.301 -1.964) 3.352 ======================= Grid point 240 (122/129) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 4.581 -15.059 0.453) 15.746 1.592 ( 5.922 2.868 -7.031) 9.630 1.690 ( -0.853 3.289 2.783) 4.393 1.754 ( -5.231 2.093 6.608) 8.684 1.965 ( 1.259 2.278 -4.198) 4.940 2.212 ( -3.413 2.078 0.876) 4.091 2.312 ( 3.605 -4.286 2.156) 6.002 2.333 ( -2.464 -0.771 4.734) 5.392 2.440 ( 1.969 -2.529 -0.866) 3.320 2.557 ( 0.653 -1.205 -0.693) 1.536 2.649 ( 1.228 2.700 1.512) 3.329 2.776 ( -2.554 -2.622 -3.426) 5.014 2.802 ( -5.456 -4.487 -5.509) 8.958 2.937 ( 3.022 0.522 0.797) 3.169 3.007 ( 2.354 -1.619 -0.888) 2.992 3.164 ( -3.188 -1.388 -1.026) 3.625 3.250 ( 1.541 2.564 -2.590) 3.957 3.297 ( -6.176 2.834 0.796) 6.842 3.413 ( 3.437 4.361 -4.716) 7.285 3.525 ( 1.415 2.669 4.306) 5.260 3.751 ( -5.708 -0.631 -3.296) 6.621 3.818 ( 0.038 3.212 0.817) 3.314 3.872 ( 3.036 -0.614 7.204) 7.842 4.008 ( 2.430 0.546 1.563) 2.940 4.098 ( 3.940 -3.264 7.129) 8.775 4.465 ( -0.121 4.456 -0.644) 4.504 4.564 ( -0.093 0.887 4.050) 4.147 4.801 ( -7.518 -4.904 -7.185) 11.497 5.041 ( 1.641 3.162 2.064) 4.117 5.225 ( 0.478 -2.112 1.046) 2.405 5.337 ( -0.312 -0.899 4.532) 4.631 5.709 ( 0.499 -0.993 0.687) 1.307 5.768 ( -0.912 2.117 -3.917) 4.545 5.903 ( -0.039 -1.837 -2.232) 2.891 6.066 ( 1.564 -5.990 -6.948) 9.306 7.726 ( 0.211 0.575 0.152) 0.631 10.070 ( 3.585 -1.603 0.677) 3.985 10.858 ( -6.850 1.930 -1.099) 7.201 11.102 ( 0.215 1.078 -0.098) 1.104 11.414 ( 4.081 2.848 -1.959) 5.349 11.508 ( -0.856 0.289 3.499) 3.613 11.539 ( 1.386 -0.534 0.155) 1.493 ======================= Grid point 241 (123/129) ======================= q-point: (-0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 3.252 -13.644 1.386) 14.094 1.510 ( -5.031 0.901 -4.460) 6.784 1.642 ( 3.888 8.404 -3.558) 9.919 1.711 ( -4.410 2.021 2.224) 5.336 2.036 ( 7.143 -1.889 2.258) 7.726 2.128 ( -5.380 1.703 1.334) 5.799 2.342 ( 1.775 3.019 4.705) 5.865 2.405 ( 0.970 -1.696 1.629) 2.544 2.509 ( 3.542 -6.433 -0.395) 7.354 2.600 ( -2.153 -1.285 1.206) 2.782 2.648 ( 0.334 -1.746 -3.604) 4.018 2.747 ( 1.617 -3.241 2.777) 4.564 2.778 ( -2.076 -2.419 -2.235) 3.893 2.968 ( 1.491 0.181 -0.500) 1.583 3.033 ( -1.426 -1.519 -0.051) 2.085 3.116 ( -1.859 4.417 -1.166) 4.932 3.161 ( -3.908 0.618 -1.130) 4.115 3.280 ( 3.745 0.151 -1.152) 3.921 3.435 ( 5.377 2.655 -1.037) 6.086 3.493 ( -7.798 -1.527 -4.718) 9.241 3.630 ( -2.724 1.075 -2.467) 3.829 3.789 ( -0.903 4.750 2.010) 5.236 3.897 ( 1.567 1.767 3.613) 4.316 4.115 ( 4.678 1.309 4.587) 6.681 4.216 ( 3.085 0.568 5.438) 6.278 4.427 ( 0.189 -0.179 0.158) 0.304 4.581 ( 0.047 2.049 4.760) 5.182 4.707 ( -5.693 -3.362 -4.068) 7.763 5.075 ( 0.878 -2.365 -0.915) 2.683 5.259 ( 1.962 -0.450 3.474) 4.015 5.374 ( -0.309 -0.007 5.251) 5.260 5.679 ( -2.619 1.819 -4.246) 5.310 5.729 ( -0.297 -0.883 -2.362) 2.539 5.904 ( -0.052 -1.602 -1.968) 2.538 6.063 ( -0.825 -3.141 -7.787) 8.437 7.727 ( 0.461 0.559 0.314) 0.789 10.139 ( 2.535 -1.591 0.862) 3.115 10.751 ( -3.849 1.523 -1.421) 4.376 11.097 ( 0.112 0.865 0.601) 1.059 11.357 ( -1.909 2.908 -1.983) 4.004 11.521 ( -0.227 -0.135 0.722) 0.769 11.623 ( 5.375 -0.504 2.437) 5.923 ======================= Grid point 247 (124/129) ======================= q-point: (-0.38 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 6.341 -0.000 1.025) 6.423 1.636 ( 8.307 -0.000 -2.469) 8.666 1.719 ( 2.251 -0.000 7.876) 8.192 1.780 ( -10.052 0.000 5.874) 11.643 1.979 ( -3.098 0.000 -10.973) 11.402 2.233 ( 1.297 -0.000 4.052) 4.255 2.267 ( -4.948 0.000 1.372) 5.135 2.350 ( 7.524 -0.000 0.763) 7.562 2.356 ( 0.759 -0.000 -0.162) 0.776 2.569 ( -4.652 0.000 -1.182) 4.799 2.704 ( 0.609 -0.000 -2.012) 2.102 2.726 ( 3.248 -0.000 3.849) 5.036 2.751 ( -8.616 0.000 -8.044) 11.788 2.946 ( 0.740 -0.000 -0.241) 0.778 2.989 ( 3.628 -0.000 -1.253) 3.839 3.142 ( -3.479 0.000 -1.099) 3.648 3.281 ( 2.297 -0.000 -1.910) 2.988 3.327 ( -5.141 0.000 1.687) 5.411 3.450 ( -0.450 0.000 -0.066) 0.455 3.572 ( 3.155 -0.000 -6.571) 7.289 3.736 ( -8.563 0.000 -4.669) 9.753 3.875 ( 2.230 -0.000 2.536) 3.377 3.875 ( 2.063 -0.000 9.787) 10.002 4.006 ( 0.846 -0.000 2.227) 2.383 4.039 ( 11.013 -0.000 11.068) 15.614 4.543 ( 1.671 -0.000 0.339) 1.705 4.573 ( 0.291 -0.000 4.644) 4.653 4.718 ( -11.002 0.000 -10.035) 14.892 5.124 ( -2.544 0.000 -3.255) 4.131 5.164 ( 2.213 -0.000 5.022) 5.488 5.321 ( -0.027 0.000 4.904) 4.904 5.704 ( 1.335 -0.000 1.103) 1.732 5.792 ( -0.898 0.000 -4.161) 4.257 5.878 ( -0.663 0.000 -1.887) 2.000 5.998 ( 4.182 -0.000 -7.190) 8.318 7.732 ( 0.200 -0.000 -0.011) 0.201 10.055 ( 3.867 -0.000 1.029) 4.002 10.878 ( -7.182 0.000 -1.498) 7.336 11.114 ( 0.038 -0.000 -1.612) 1.612 11.448 ( 8.229 -0.000 2.009) 8.471 11.508 ( -4.945 0.000 1.539) 5.179 11.532 ( 0.646 -0.000 -0.453) 0.789 ======================= Grid point 248 (125/129) ======================= q-point: (-0.25 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 6.868 -7.540 4.004) 10.957 1.581 ( -10.885 5.561 3.358) 12.677 1.693 ( -9.322 -3.798 5.598) 11.518 1.819 ( 5.733 8.150 -2.531) 10.281 1.954 ( 6.845 -5.238 -0.152) 8.620 2.200 ( -1.154 3.756 -2.841) 4.848 2.319 ( 1.762 -3.887 3.193) 5.330 2.375 ( 0.226 -0.527 -0.192) 0.605 2.396 ( 2.197 -3.283 -3.360) 5.186 2.569 ( -1.011 -1.260 5.020) 5.273 2.613 ( -3.254 -1.363 -4.310) 5.570 2.708 ( 2.363 -0.937 0.005) 2.542 2.745 ( -0.809 -0.523 -0.796) 1.250 2.970 ( 0.544 0.075 0.899) 1.054 3.000 ( -0.466 -1.074 -0.880) 1.464 3.130 ( -0.152 -0.392 1.079) 1.158 3.257 ( -2.353 5.741 1.493) 6.382 3.315 ( 3.845 0.802 -0.723) 3.994 3.456 ( -0.156 -1.428 -1.252) 1.906 3.501 ( -6.087 1.967 -6.543) 9.150 3.632 ( 2.318 -0.314 -4.230) 4.834 3.864 ( -1.743 2.173 3.326) 4.338 3.912 ( -1.598 0.142 3.455) 3.810 4.125 ( 6.260 -0.012 7.568) 9.821 4.237 ( 1.725 1.063 3.787) 4.295 4.473 ( -1.480 4.066 -2.371) 4.934 4.573 ( -3.860 -3.694 -2.064) 5.727 4.641 ( 0.954 -1.457 4.395) 4.727 5.060 ( -1.205 0.511 -2.144) 2.512 5.235 ( 1.874 -1.597 3.486) 4.267 5.371 ( 1.147 -0.014 6.054) 6.161 5.711 ( -0.975 1.144 -1.519) 2.137 5.723 ( -2.125 0.111 -5.935) 6.305 5.869 ( 0.048 -1.293 -1.127) 1.716 6.006 ( 2.672 -2.014 -8.178) 8.836 7.735 ( 0.456 0.241 -0.081) 0.523 10.123 ( 3.515 -0.253 1.803) 3.959 10.774 ( -4.703 0.627 -2.017) 5.156 11.096 ( 0.387 -0.341 -3.759) 3.794 11.429 ( -5.652 2.918 3.199) 7.120 11.516 ( -0.345 -0.310 1.041) 1.140 11.601 ( 7.045 -1.193 0.398) 7.156 ======================= Grid point 249 (126/129) ======================= q-point: (-0.12 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 3.836 -7.762 6.371) 10.750 1.406 ( -10.319 -0.024 3.507) 10.898 1.593 ( -11.929 -1.150 2.653) 12.274 1.738 ( -2.626 7.127 0.415) 7.606 2.125 ( 6.550 -2.549 -1.483) 7.183 2.155 ( 5.619 4.377 -2.708) 7.620 2.339 ( -2.245 -5.962 -1.668) 6.585 2.417 ( 0.988 -0.496 1.923) 2.218 2.484 ( -4.008 -4.396 5.084) 7.826 2.561 ( 3.241 -2.673 -2.525) 4.902 2.592 ( -0.661 -2.116 -0.280) 2.234 2.721 ( 1.338 1.182 -0.139) 1.791 2.855 ( 7.595 -3.070 1.931) 8.417 2.974 ( -1.373 -0.841 0.755) 1.778 2.993 ( -0.335 1.100 1.240) 1.691 3.128 ( -0.433 0.649 1.712) 1.882 3.184 ( 0.629 5.651 0.118) 5.688 3.286 ( -5.808 4.790 -4.091) 8.568 3.384 ( 2.132 -1.748 0.809) 2.873 3.485 ( 2.133 2.334 -3.498) 4.715 3.660 ( 4.700 1.291 -2.551) 5.502 3.817 ( -1.939 5.418 -2.538) 6.289 3.929 ( -1.228 -3.174 4.608) 5.729 4.104 ( -9.205 -4.061 -7.214) 12.380 4.256 ( 3.746 0.894 5.684) 6.866 4.508 ( 4.826 4.129 3.543) 7.273 4.553 ( -2.321 -3.580 -0.265) 4.275 4.680 ( -0.128 0.665 2.373) 2.468 5.051 ( 0.689 -0.375 -0.240) 0.820 5.311 ( 2.521 -2.002 2.343) 3.982 5.433 ( 1.898 1.583 7.770) 8.154 5.601 ( -4.579 0.762 -8.133) 9.365 5.702 ( 0.592 0.067 -0.491) 0.772 5.885 ( 0.254 -1.754 0.005) 1.773 5.995 ( 0.404 -1.244 -5.241) 5.402 7.737 ( 0.249 0.275 -0.408) 0.552 10.171 ( 0.829 0.460 2.265) 2.455 10.715 ( -0.442 0.277 -2.172) 2.234 11.090 ( 0.901 -1.848 -3.470) 4.033 11.336 ( -5.704 3.106 3.278) 7.275 11.518 ( -0.332 -0.342 0.454) 0.658 11.692 ( 3.990 -0.574 -1.319) 4.242 ======================= Grid point 256 (127/129) ======================= q-point: (-0.25 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 7.468 -0.000 7.810) 10.806 1.417 ( -18.383 0.000 6.479) 19.491 1.573 ( -10.084 0.000 7.175) 12.376 1.840 ( -7.393 0.000 0.751) 7.431 2.074 ( 9.059 -0.000 -4.412) 10.077 2.240 ( -3.380 0.000 -4.382) 5.534 2.242 ( 8.340 -0.000 -2.295) 8.650 2.393 ( 0.657 -0.000 0.687) 0.950 2.426 ( -0.046 0.000 5.551) 5.551 2.540 ( -0.911 0.000 -1.087) 1.418 2.559 ( -0.545 0.000 -3.490) 3.532 2.774 ( 7.369 -0.000 5.350) 9.106 2.795 ( 5.118 -0.000 -0.494) 5.142 2.971 ( -1.030 0.000 0.728) 1.261 2.996 ( 0.724 -0.000 1.545) 1.706 3.121 ( -1.138 0.000 0.317) 1.181 3.280 ( -4.685 0.000 -0.643) 4.729 3.322 ( -1.459 0.000 -0.169) 1.468 3.400 ( -0.140 0.000 0.319) 0.348 3.488 ( 7.528 -0.000 -4.281) 8.660 3.684 ( 5.647 -0.000 -2.775) 6.292 3.858 ( -4.331 0.000 6.012) 7.410 3.905 ( -0.731 0.000 -1.407) 1.586 4.056 ( -15.705 0.000 -11.136) 19.253 4.265 ( 5.252 -0.000 6.500) 8.357 4.503 ( -2.215 0.000 -0.268) 2.231 4.571 ( 5.231 -0.000 5.794) 7.806 4.678 ( -0.019 0.000 0.177) 0.178 5.049 ( 1.556 -0.000 0.704) 1.708 5.286 ( 2.852 -0.000 2.346) 3.693 5.461 ( 3.576 -0.000 7.839) 8.616 5.608 ( -4.753 0.000 -8.258) 9.528 5.698 ( -0.926 0.000 -1.584) 1.835 5.864 ( 0.219 -0.000 0.375) 0.434 5.978 ( 1.696 -0.000 -5.148) 5.420 7.740 ( 0.244 -0.000 -0.682) 0.725 10.178 ( 1.530 -0.000 2.972) 3.343 10.718 ( -0.923 0.000 -2.502) 2.667 11.063 ( 0.638 -0.000 -5.826) 5.861 11.379 ( -7.450 0.000 5.780) 9.430 11.514 ( -0.441 0.000 0.535) 0.693 11.682 ( 5.067 -0.000 -2.358) 5.589 ======================= Grid point 257 (128/129) ======================= q-point: (-0.12 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.788 -0.008 12.708) 12.732 1.250 ( -12.997 -4.206 10.795) 17.411 1.481 ( -7.010 1.031 5.573) 9.015 1.707 ( -9.059 1.497 3.906) 9.978 2.112 ( 2.870 -2.670 -8.653) 9.499 2.146 ( -9.496 -1.961 1.099) 9.759 2.334 ( 3.987 0.885 -7.141) 8.226 2.430 ( -1.512 -0.516 2.757) 3.186 2.444 ( 4.962 0.604 4.141) 6.491 2.532 ( -0.158 -1.242 -3.218) 3.453 2.596 ( 3.513 -4.994 -3.255) 6.920 2.826 ( 3.986 1.881 -0.221) 4.413 2.923 ( 1.695 1.768 4.937) 5.511 2.972 ( 4.609 3.099 0.232) 5.559 3.021 ( 0.331 0.365 0.137) 0.512 3.173 ( 6.078 -4.347 3.458) 8.234 3.204 ( -1.155 2.325 -1.814) 3.167 3.269 ( -1.748 2.552 -0.264) 3.104 3.435 ( 2.568 2.069 2.398) 4.077 3.557 ( 5.112 3.220 -3.574) 7.020 3.686 ( -4.087 4.118 -4.600) 7.404 3.786 ( -3.656 -1.581 -4.406) 5.939 3.830 ( -4.664 -1.780 -1.379) 5.179 3.916 ( -2.268 -6.195 2.104) 6.925 4.328 ( 0.190 0.983 -2.633) 2.817 4.487 ( -2.015 -2.629 -2.574) 4.194 4.643 ( 4.695 3.199 3.278) 6.559 4.671 ( -0.490 -0.113 1.013) 1.131 5.114 ( 4.863 1.308 5.296) 7.308 5.325 ( 0.550 -0.205 -1.461) 1.575 5.485 ( -3.849 0.205 -7.013) 8.003 5.530 ( 0.280 1.760 4.519) 4.858 5.708 ( 1.369 -3.185 -0.263) 3.477 5.870 ( -0.483 -0.652 0.611) 1.016 6.009 ( 4.304 0.561 5.375) 6.908 7.732 ( -0.389 0.027 -1.197) 1.258 10.199 ( -1.254 1.292 3.802) 4.206 10.721 ( 3.745 -0.225 -2.491) 4.503 11.047 ( 1.252 -2.528 -5.565) 6.239 11.302 ( -7.117 2.133 5.615) 9.313 11.512 ( -0.347 -0.314 0.210) 0.513 11.692 ( -0.429 -0.473 -5.654) 5.690 ======================= Grid point 265 (129/129) ======================= q-point: (-0.12 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -9.483 0.000 16.625) 19.139 1.265 ( -3.237 0.000 18.733) 19.010 1.467 ( 1.131 -0.000 1.863) 2.180 1.637 ( -5.811 0.000 9.743) 11.345 1.988 ( -13.011 0.000 6.810) 14.686 2.064 ( 2.042 -0.000 -11.454) 11.635 2.307 ( 0.938 -0.000 -7.439) 7.498 2.418 ( -1.075 0.000 -10.309) 10.365 2.498 ( 1.405 -0.000 -3.948) 4.190 2.515 ( -1.672 0.000 2.952) 3.393 2.613 ( 4.863 -0.000 6.255) 7.923 2.875 ( 2.696 -0.000 -1.620) 3.145 2.919 ( -1.914 0.000 -0.497) 1.978 3.022 ( 0.867 -0.000 1.253) 1.523 3.166 ( 2.866 -0.000 -0.135) 2.869 3.179 ( 1.285 -0.000 -2.385) 2.709 3.206 ( -3.726 0.000 -7.268) 8.167 3.265 ( 5.473 -0.000 1.160) 5.595 3.481 ( -2.296 0.000 0.991) 2.501 3.534 ( 7.038 -0.000 0.490) 7.055 3.676 ( -5.477 0.000 -4.960) 7.389 3.716 ( 1.373 -0.000 3.035) 3.331 3.874 ( 3.680 -0.000 7.009) 7.917 3.879 ( 3.176 -0.000 0.863) 3.291 4.204 ( -7.854 0.000 -13.392) 15.525 4.431 ( -0.688 0.000 -1.675) 1.810 4.690 ( -0.379 0.000 3.260) 3.282 4.713 ( 0.760 -0.000 -3.483) 3.565 5.282 ( -3.171 0.000 -6.327) 7.077 5.283 ( 8.004 -0.000 7.813) 11.185 5.394 ( -3.142 0.000 -5.943) 6.723 5.517 ( -2.743 0.000 4.675) 5.420 5.721 ( 2.867 -0.000 1.469) 3.221 5.865 ( -0.670 0.000 1.081) 1.272 6.204 ( 11.186 -0.000 11.650) 16.151 7.713 ( -0.823 0.000 -1.280) 1.522 10.217 ( -1.415 0.000 4.756) 4.962 10.782 ( 7.049 -0.000 -2.397) 7.445 11.011 ( 1.280 -0.000 -4.970) 5.132 11.255 ( -6.014 0.000 4.919) 7.770 11.505 ( -0.553 0.000 -0.345) 0.652 11.580 ( -7.848 0.000 -7.352) 10.754 =================== 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 3/18816 10.0 95.705 127.957 122.408 -0.000 4.252 -0.000 3/18816 20.0 14.814 16.039 18.975 -0.000 3.178 -0.000 3/18816 30.0 6.241 6.123 7.700 -0.000 1.372 -0.000 3/18816 40.0 3.792 3.526 4.562 -0.000 0.835 -0.000 3/18816 50.0 2.728 2.454 3.230 -0.000 0.609 -0.000 3/18816 60.0 2.149 1.889 2.519 -0.000 0.489 -0.000 3/18816 70.0 1.788 1.544 2.081 -0.000 0.415 -0.000 3/18816 80.0 1.540 1.311 1.783 -0.000 0.363 -0.000 3/18816 90.0 1.360 1.145 1.567 -0.000 0.324 -0.000 3/18816 100.0 1.222 1.019 1.403 -0.000 0.294 -0.000 3/18816 110.0 1.113 0.921 1.274 -0.000 0.269 -0.000 3/18816 120.0 1.025 0.841 1.169 -0.000 0.248 -0.000 3/18816 130.0 0.952 0.776 1.082 -0.000 0.230 -0.000 3/18816 140.0 0.889 0.721 1.009 -0.000 0.214 -0.000 3/18816 150.0 0.836 0.674 0.946 -0.000 0.201 -0.000 3/18816 160.0 0.789 0.633 0.891 -0.000 0.189 -0.000 3/18816 170.0 0.748 0.598 0.843 -0.000 0.179 -0.000 3/18816 180.0 0.711 0.566 0.800 -0.000 0.169 -0.000 3/18816 190.0 0.678 0.538 0.761 -0.000 0.161 -0.000 3/18816 200.0 0.649 0.513 0.727 -0.000 0.153 -0.000 3/18816 210.0 0.621 0.490 0.695 -0.000 0.146 -0.000 3/18816 220.0 0.597 0.469 0.666 -0.000 0.139 -0.000 3/18816 230.0 0.574 0.450 0.640 -0.000 0.134 -0.000 3/18816 240.0 0.553 0.432 0.616 -0.000 0.128 -0.000 3/18816 250.0 0.533 0.416 0.593 -0.000 0.123 -0.000 3/18816 260.0 0.515 0.401 0.573 -0.000 0.119 -0.000 3/18816 270.0 0.498 0.387 0.553 -0.000 0.114 -0.000 3/18816 280.0 0.482 0.374 0.535 -0.000 0.110 -0.000 3/18816 290.0 0.468 0.362 0.518 -0.000 0.107 -0.000 3/18816 300.0 0.454 0.351 0.502 -0.000 0.103 -0.000 3/18816 310.0 0.441 0.340 0.488 -0.000 0.100 -0.000 3/18816 320.0 0.428 0.330 0.473 -0.000 0.097 -0.000 3/18816 330.0 0.416 0.321 0.460 -0.000 0.094 -0.000 3/18816 340.0 0.405 0.312 0.448 -0.000 0.091 -0.000 3/18816 350.0 0.395 0.303 0.436 -0.000 0.089 -0.000 3/18816 360.0 0.385 0.295 0.425 -0.000 0.086 -0.000 3/18816 370.0 0.375 0.288 0.414 -0.000 0.084 -0.000 3/18816 380.0 0.366 0.281 0.404 -0.000 0.082 -0.000 3/18816 390.0 0.358 0.274 0.394 -0.000 0.080 -0.000 3/18816 400.0 0.350 0.267 0.385 -0.000 0.078 -0.000 3/18816 410.0 0.342 0.261 0.376 -0.000 0.076 -0.000 3/18816 420.0 0.334 0.255 0.368 -0.000 0.074 -0.000 3/18816 430.0 0.327 0.250 0.360 -0.000 0.072 -0.000 3/18816 440.0 0.320 0.244 0.352 -0.000 0.071 -0.000 3/18816 450.0 0.314 0.239 0.345 -0.000 0.069 -0.000 3/18816 460.0 0.307 0.234 0.338 -0.000 0.068 -0.000 3/18816 470.0 0.301 0.229 0.331 -0.000 0.066 -0.000 3/18816 480.0 0.296 0.225 0.324 -0.000 0.065 -0.000 3/18816 490.0 0.290 0.220 0.318 -0.000 0.064 -0.000 3/18816 500.0 0.285 0.216 0.312 -0.000 0.062 -0.000 3/18816 510.0 0.279 0.212 0.306 -0.000 0.061 -0.000 3/18816 520.0 0.274 0.208 0.301 -0.000 0.060 -0.000 3/18816 530.0 0.269 0.204 0.295 -0.000 0.059 -0.000 3/18816 540.0 0.265 0.201 0.290 -0.000 0.058 -0.000 3/18816 550.0 0.260 0.197 0.285 -0.000 0.057 -0.000 3/18816 560.0 0.256 0.194 0.280 -0.000 0.056 -0.000 3/18816 570.0 0.252 0.191 0.276 -0.000 0.055 -0.000 3/18816 580.0 0.248 0.188 0.271 -0.000 0.054 -0.000 3/18816 590.0 0.244 0.184 0.267 -0.000 0.053 -0.000 3/18816 600.0 0.240 0.181 0.262 -0.000 0.052 -0.000 3/18816 610.0 0.236 0.179 0.258 -0.000 0.051 -0.000 3/18816 620.0 0.232 0.176 0.254 -0.000 0.050 -0.000 3/18816 630.0 0.229 0.173 0.251 -0.000 0.050 -0.000 3/18816 640.0 0.226 0.171 0.247 -0.000 0.049 -0.000 3/18816 650.0 0.222 0.168 0.243 -0.000 0.048 -0.000 3/18816 660.0 0.219 0.166 0.240 -0.000 0.047 -0.000 3/18816 670.0 0.216 0.163 0.236 -0.000 0.047 -0.000 3/18816 680.0 0.213 0.161 0.233 -0.000 0.046 -0.000 3/18816 690.0 0.210 0.159 0.230 -0.000 0.045 -0.000 3/18816 700.0 0.207 0.156 0.226 -0.000 0.045 -0.000 3/18816 710.0 0.204 0.154 0.223 -0.000 0.044 -0.000 3/18816 720.0 0.202 0.152 0.220 -0.000 0.043 -0.000 3/18816 730.0 0.199 0.150 0.217 -0.000 0.043 -0.000 3/18816 740.0 0.196 0.148 0.215 -0.000 0.042 -0.000 3/18816 750.0 0.194 0.146 0.212 -0.000 0.042 -0.000 3/18816 760.0 0.192 0.144 0.209 -0.000 0.041 -0.000 3/18816 770.0 0.189 0.143 0.207 -0.000 0.041 -0.000 3/18816 780.0 0.187 0.141 0.204 -0.000 0.040 -0.000 3/18816 790.0 0.185 0.139 0.201 -0.000 0.040 -0.000 3/18816 800.0 0.182 0.137 0.199 -0.000 0.039 -0.000 3/18816 810.0 0.180 0.136 0.197 -0.000 0.039 -0.000 3/18816 820.0 0.178 0.134 0.194 -0.000 0.038 -0.000 3/18816 830.0 0.176 0.133 0.192 -0.000 0.038 -0.000 3/18816 840.0 0.174 0.131 0.190 -0.000 0.037 -0.000 3/18816 850.0 0.172 0.129 0.188 -0.000 0.037 -0.000 3/18816 860.0 0.170 0.128 0.186 -0.000 0.036 -0.000 3/18816 870.0 0.168 0.127 0.184 -0.000 0.036 -0.000 3/18816 880.0 0.166 0.125 0.181 -0.000 0.035 -0.000 3/18816 890.0 0.165 0.124 0.180 -0.000 0.035 -0.000 3/18816 900.0 0.163 0.122 0.178 -0.000 0.035 -0.000 3/18816 910.0 0.161 0.121 0.176 -0.000 0.034 -0.000 3/18816 920.0 0.159 0.120 0.174 -0.000 0.034 -0.000 3/18816 930.0 0.158 0.119 0.172 -0.000 0.034 -0.000 3/18816 940.0 0.156 0.117 0.170 -0.000 0.033 -0.000 3/18816 950.0 0.155 0.116 0.168 -0.000 0.033 -0.000 3/18816 960.0 0.153 0.115 0.167 -0.000 0.033 -0.000 3/18816 970.0 0.151 0.114 0.165 -0.000 0.032 -0.000 3/18816 980.0 0.150 0.113 0.163 -0.000 0.032 -0.000 3/18816 990.0 0.149 0.112 0.162 -0.000 0.032 -0.000 3/18816 1000.0 0.147 0.110 0.160 -0.000 0.031 -0.000 3/18816 Thermal conductivity related properties were written into "kappa-m887.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:39:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|