----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:22:19]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.727487310000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.152961830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.387915810000000 Atomic positions (fractional): *1 F 0.16340680748327 0.43280815618585 0.39756432715027 18.998 2 F 0.33659319251672 0.56719184381415 0.89756432715027 18.998 3 F 0.66340680748327 0.06719184381415 0.10243567284973 18.998 4 F 0.83659319251673 0.93280815618585 0.60243567284973 18.998 *5 F 0.51496502385544 0.25000000000000 0.56986283649793 18.998 6 F 0.98503497614456 0.75000000000000 0.06986283649793 18.998 7 F 0.01496502385544 0.25000000000000 0.93013716350207 18.998 8 F 0.48503497614456 0.75000000000000 0.43013716350207 18.998 9 F 0.16340680748327 0.06719184381415 0.39756432715027 18.998 10 F 0.33659319251672 0.93280815618585 0.89756432715027 18.998 11 F 0.66340680748327 0.43280815618585 0.10243567284973 18.998 12 F 0.83659319251673 0.56719184381415 0.60243567284973 18.998 *13 Bi 0.62955200979726 0.75000000000000 0.93144953890228 208.980 14 Bi 0.87044799020274 0.25000000000000 0.43144953890228 208.980 15 Bi 0.12955200979726 0.75000000000000 0.56855046109772 208.980 16 Bi 0.37044799020274 0.25000000000000 0.06855046109772 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.727487310000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.152961830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.387915810000000 Atomic positions (fractional): *1 F 0.16340680748327 0.43280815618585 0.39756432715027 18.998 > 1 2 F 0.33659319251672 0.56719184381415 0.89756432715027 18.998 > 2 3 F 0.66340680748327 0.06719184381415 0.10243567284973 18.998 > 3 4 F 0.83659319251673 0.93280815618585 0.60243567284973 18.998 > 4 *5 F 0.51496502385544 0.25000000000000 0.56986283649793 18.998 > 5 6 F 0.98503497614456 0.75000000000000 0.06986283649793 18.998 > 6 7 F 0.01496502385544 0.25000000000000 0.93013716350207 18.998 > 7 8 F 0.48503497614456 0.75000000000000 0.43013716350207 18.998 > 8 9 F 0.16340680748327 0.06719184381415 0.39756432715027 18.998 > 9 10 F 0.33659319251672 0.93280815618585 0.89756432715027 18.998 > 10 11 F 0.66340680748327 0.43280815618585 0.10243567284973 18.998 > 11 12 F 0.83659319251673 0.56719184381415 0.60243567284973 18.998 > 12 *13 Bi 0.62955200979726 0.75000000000000 0.93144953890228 208.980 > 13 14 Bi 0.87044799020274 0.25000000000000 0.43144953890228 208.980 > 14 15 Bi 0.12955200979726 0.75000000000000 0.56855046109772 208.980 > 15 16 Bi 0.37044799020274 0.25000000000000 0.06855046109772 208.980 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.454974620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.305923659999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.775831620000000 Atomic positions (fractional): *1 F 0.08170340374164 0.21640407809293 0.19878216357514 18.998 > 1 2 F 0.58170340374164 0.21640407809293 0.19878216357514 18.998 > 1 3 F 0.08170340374164 0.71640407809293 0.19878216357514 18.998 > 1 4 F 0.58170340374164 0.71640407809293 0.19878216357514 18.998 > 1 5 F 0.08170340374164 0.21640407809293 0.69878216357514 18.998 > 1 6 F 0.58170340374164 0.21640407809293 0.69878216357514 18.998 > 1 7 F 0.08170340374164 0.71640407809293 0.69878216357514 18.998 > 1 8 F 0.58170340374164 0.71640407809293 0.69878216357514 18.998 > 1 9 F 0.16829659625836 0.28359592190707 0.44878216357514 18.998 > 2 10 F 0.66829659625836 0.28359592190707 0.44878216357514 18.998 > 2 11 F 0.16829659625836 0.78359592190707 0.44878216357514 18.998 > 2 12 F 0.66829659625836 0.78359592190707 0.44878216357514 18.998 > 2 13 F 0.16829659625836 0.28359592190707 0.94878216357514 18.998 > 2 14 F 0.66829659625836 0.28359592190707 0.94878216357514 18.998 > 2 15 F 0.16829659625836 0.78359592190707 0.94878216357514 18.998 > 2 16 F 0.66829659625836 0.78359592190707 0.94878216357514 18.998 > 2 17 F 0.33170340374164 0.03359592190707 0.05121783642486 18.998 > 3 18 F 0.83170340374164 0.03359592190707 0.05121783642486 18.998 > 3 19 F 0.33170340374164 0.53359592190707 0.05121783642486 18.998 > 3 20 F 0.83170340374164 0.53359592190707 0.05121783642486 18.998 > 3 21 F 0.33170340374164 0.03359592190707 0.55121783642486 18.998 > 3 22 F 0.83170340374164 0.03359592190707 0.55121783642486 18.998 > 3 23 F 0.33170340374164 0.53359592190707 0.55121783642486 18.998 > 3 24 F 0.83170340374164 0.53359592190707 0.55121783642486 18.998 > 3 25 F 0.41829659625836 0.46640407809293 0.30121783642486 18.998 > 4 26 F 0.91829659625836 0.46640407809293 0.30121783642486 18.998 > 4 27 F 0.41829659625836 0.96640407809293 0.30121783642486 18.998 > 4 28 F 0.91829659625836 0.96640407809293 0.30121783642486 18.998 > 4 29 F 0.41829659625836 0.46640407809293 0.80121783642486 18.998 > 4 30 F 0.91829659625836 0.46640407809293 0.80121783642486 18.998 > 4 31 F 0.41829659625836 0.96640407809293 0.80121783642486 18.998 > 4 32 F 0.91829659625836 0.96640407809293 0.80121783642486 18.998 > 4 *33 F 0.25748251192772 0.12500000000000 0.28493141824896 18.998 > 5 34 F 0.75748251192772 0.12500000000000 0.28493141824896 18.998 > 5 35 F 0.25748251192772 0.62500000000000 0.28493141824896 18.998 > 5 36 F 0.75748251192772 0.62500000000000 0.28493141824896 18.998 > 5 37 F 0.25748251192772 0.12500000000000 0.78493141824896 18.998 > 5 38 F 0.75748251192772 0.12500000000000 0.78493141824896 18.998 > 5 39 F 0.25748251192772 0.62500000000000 0.78493141824896 18.998 > 5 40 F 0.75748251192772 0.62500000000000 0.78493141824896 18.998 > 5 41 F 0.49251748807228 0.37500000000000 0.03493141824896 18.998 > 6 42 F 0.99251748807228 0.37500000000000 0.03493141824896 18.998 > 6 43 F 0.49251748807228 0.87500000000000 0.03493141824896 18.998 > 6 44 F 0.99251748807228 0.87500000000000 0.03493141824896 18.998 > 6 45 F 0.49251748807228 0.37500000000000 0.53493141824896 18.998 > 6 46 F 0.99251748807228 0.37500000000000 0.53493141824896 18.998 > 6 47 F 0.49251748807228 0.87500000000000 0.53493141824896 18.998 > 6 48 F 0.99251748807228 0.87500000000000 0.53493141824896 18.998 > 6 49 F 0.00748251192772 0.12500000000000 0.46506858175104 18.998 > 7 50 F 0.50748251192772 0.12500000000000 0.46506858175104 18.998 > 7 51 F 0.00748251192772 0.62500000000000 0.46506858175104 18.998 > 7 52 F 0.50748251192772 0.62500000000000 0.46506858175104 18.998 > 7 53 F 0.00748251192772 0.12500000000000 0.96506858175104 18.998 > 7 54 F 0.50748251192772 0.12500000000000 0.96506858175104 18.998 > 7 55 F 0.00748251192772 0.62500000000000 0.96506858175104 18.998 > 7 56 F 0.50748251192772 0.62500000000000 0.96506858175104 18.998 > 7 57 F 0.24251748807228 0.37500000000000 0.21506858175104 18.998 > 8 58 F 0.74251748807228 0.37500000000000 0.21506858175104 18.998 > 8 59 F 0.24251748807228 0.87500000000000 0.21506858175104 18.998 > 8 60 F 0.74251748807228 0.87500000000000 0.21506858175104 18.998 > 8 61 F 0.24251748807228 0.37500000000000 0.71506858175104 18.998 > 8 62 F 0.74251748807228 0.37500000000000 0.71506858175104 18.998 > 8 63 F 0.24251748807228 0.87500000000000 0.71506858175104 18.998 > 8 64 F 0.74251748807228 0.87500000000000 0.71506858175104 18.998 > 8 65 F 0.08170340374164 0.03359592190707 0.19878216357514 18.998 > 9 66 F 0.58170340374164 0.03359592190707 0.19878216357514 18.998 > 9 67 F 0.08170340374164 0.53359592190707 0.19878216357514 18.998 > 9 68 F 0.58170340374164 0.53359592190707 0.19878216357514 18.998 > 9 69 F 0.08170340374164 0.03359592190707 0.69878216357514 18.998 > 9 70 F 0.58170340374164 0.03359592190707 0.69878216357514 18.998 > 9 71 F 0.08170340374164 0.53359592190707 0.69878216357514 18.998 > 9 72 F 0.58170340374164 0.53359592190707 0.69878216357514 18.998 > 9 73 F 0.16829659625836 0.46640407809293 0.44878216357514 18.998 > 10 74 F 0.66829659625836 0.46640407809293 0.44878216357514 18.998 > 10 75 F 0.16829659625836 0.96640407809293 0.44878216357514 18.998 > 10 76 F 0.66829659625836 0.96640407809293 0.44878216357514 18.998 > 10 77 F 0.16829659625836 0.46640407809293 0.94878216357514 18.998 > 10 78 F 0.66829659625836 0.46640407809293 0.94878216357514 18.998 > 10 79 F 0.16829659625836 0.96640407809293 0.94878216357514 18.998 > 10 80 F 0.66829659625836 0.96640407809293 0.94878216357514 18.998 > 10 81 F 0.33170340374164 0.21640407809293 0.05121783642486 18.998 > 11 82 F 0.83170340374164 0.21640407809293 0.05121783642486 18.998 > 11 83 F 0.33170340374164 0.71640407809293 0.05121783642486 18.998 > 11 84 F 0.83170340374164 0.71640407809293 0.05121783642486 18.998 > 11 85 F 0.33170340374164 0.21640407809293 0.55121783642486 18.998 > 11 86 F 0.83170340374164 0.21640407809293 0.55121783642486 18.998 > 11 87 F 0.33170340374164 0.71640407809293 0.55121783642486 18.998 > 11 88 F 0.83170340374164 0.71640407809293 0.55121783642486 18.998 > 11 89 F 0.41829659625836 0.28359592190707 0.30121783642486 18.998 > 12 90 F 0.91829659625836 0.28359592190707 0.30121783642486 18.998 > 12 91 F 0.41829659625836 0.78359592190707 0.30121783642486 18.998 > 12 92 F 0.91829659625836 0.78359592190707 0.30121783642486 18.998 > 12 93 F 0.41829659625836 0.28359592190707 0.80121783642486 18.998 > 12 94 F 0.91829659625836 0.28359592190707 0.80121783642486 18.998 > 12 95 F 0.41829659625836 0.78359592190707 0.80121783642486 18.998 > 12 96 F 0.91829659625836 0.78359592190707 0.80121783642486 18.998 > 12 *97 Bi 0.31477600489863 0.37500000000000 0.46572476945114 208.980 > 13 98 Bi 0.81477600489863 0.37500000000000 0.46572476945114 208.980 > 13 99 Bi 0.31477600489863 0.87500000000000 0.46572476945114 208.980 > 13 100 Bi 0.81477600489863 0.87500000000000 0.46572476945114 208.980 > 13 101 Bi 0.31477600489863 0.37500000000000 0.96572476945114 208.980 > 13 102 Bi 0.81477600489863 0.37500000000000 0.96572476945114 208.980 > 13 103 Bi 0.31477600489863 0.87500000000000 0.96572476945114 208.980 > 13 104 Bi 0.81477600489863 0.87500000000000 0.96572476945114 208.980 > 13 105 Bi 0.43522399510137 0.12500000000000 0.21572476945114 208.980 > 14 106 Bi 0.93522399510137 0.12500000000000 0.21572476945114 208.980 > 14 107 Bi 0.43522399510137 0.62500000000000 0.21572476945114 208.980 > 14 108 Bi 0.93522399510137 0.62500000000000 0.21572476945114 208.980 > 14 109 Bi 0.43522399510137 0.12500000000000 0.71572476945114 208.980 > 14 110 Bi 0.93522399510137 0.12500000000000 0.71572476945114 208.980 > 14 111 Bi 0.43522399510137 0.62500000000000 0.71572476945114 208.980 > 14 112 Bi 0.93522399510137 0.62500000000000 0.71572476945114 208.980 > 14 113 Bi 0.06477600489863 0.37500000000000 0.28427523054886 208.980 > 15 114 Bi 0.56477600489863 0.37500000000000 0.28427523054886 208.980 > 15 115 Bi 0.06477600489863 0.87500000000000 0.28427523054886 208.980 > 15 116 Bi 0.56477600489863 0.87500000000000 0.28427523054886 208.980 > 15 117 Bi 0.06477600489863 0.37500000000000 0.78427523054886 208.980 > 15 118 Bi 0.56477600489863 0.37500000000000 0.78427523054886 208.980 > 15 119 Bi 0.06477600489863 0.87500000000000 0.78427523054886 208.980 > 15 120 Bi 0.56477600489863 0.87500000000000 0.78427523054886 208.980 > 15 121 Bi 0.18522399510137 0.12500000000000 0.03427523054886 208.980 > 16 122 Bi 0.68522399510137 0.12500000000000 0.03427523054886 208.980 > 16 123 Bi 0.18522399510137 0.62500000000000 0.03427523054886 208.980 > 16 124 Bi 0.68522399510137 0.62500000000000 0.03427523054886 208.980 > 16 125 Bi 0.18522399510137 0.12500000000000 0.53427523054886 208.980 > 16 126 Bi 0.68522399510137 0.12500000000000 0.53427523054886 208.980 > 16 127 Bi 0.18522399510137 0.62500000000000 0.53427523054886 208.980 > 16 128 Bi 0.68522399510137 0.62500000000000 0.53427523054886 208.980 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8289765 0.0000000 0.0000000 0.0000000 3.7632027 0.0000000 0.0000000 0.0000000 3.7239944 -------------------------- Born effective charges -------------------------- 1 F -1.6607077 -0.0476242 0.4087254 -0.0492214 -2.2033898 -0.6109262 0.4688826 -0.6302177 -1.1099161 2 F -1.6607077 -0.0476242 -0.4087254 -0.0492214 -2.2033898 0.6109262 -0.4688826 0.6302177 -1.1099161 3 F -1.6607077 0.0476242 -0.4087254 0.0492214 -2.2033898 -0.6109262 -0.4688826 -0.6302177 -1.1099161 4 F -1.6607077 0.0476242 0.4087254 0.0492214 -2.2033898 0.6109262 0.4688826 0.6302177 -1.1099161 5 F -1.8136221 0.0000000 0.2501160 0.0000000 -0.5762232 0.0000000 0.3645413 0.0000000 -2.4464041 6 F -1.8136221 0.0000000 -0.2501160 0.0000000 -0.5762232 0.0000000 -0.3645413 0.0000000 -2.4464041 7 F -1.8136221 0.0000000 -0.2501160 0.0000000 -0.5762232 0.0000000 -0.3645413 0.0000000 -2.4464041 8 F -1.8136221 0.0000000 0.2501160 0.0000000 -0.5762232 0.0000000 0.3645413 0.0000000 -2.4464041 9 F -1.6607077 0.0476242 0.4087254 0.0492214 -2.2033898 0.6109262 0.4688826 0.6302177 -1.1099161 10 F -1.6607077 0.0476242 -0.4087254 0.0492214 -2.2033898 -0.6109262 -0.4688826 -0.6302177 -1.1099161 11 F -1.6607077 -0.0476242 -0.4087254 -0.0492214 -2.2033898 0.6109262 -0.4688826 0.6302177 -1.1099161 12 F -1.6607077 -0.0476242 0.4087254 -0.0492214 -2.2033898 -0.6109262 0.4688826 -0.6302177 -1.1099161 13 Bi 5.1350375 0.0000000 -0.5312812 0.0000000 4.9830028 0.0000000 -0.3564728 0.0000000 4.6662362 14 Bi 5.1350375 0.0000000 0.5312812 0.0000000 4.9830028 0.0000000 0.3564728 0.0000000 4.6662362 15 Bi 5.1350375 0.0000000 0.5312812 0.0000000 4.9830028 0.0000000 0.3564728 0.0000000 4.6662362 16 Bi 5.1350375 0.0000000 -0.5312812 0.0000000 4.9830028 0.0000000 -0.3564728 0.0000000 4.6662362 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1240 Number of blocks in projector: 1240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1240, 1221), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.764 Solver_block: 200 / 240 - Time: 1.749 Solver_block: 240 / 240 - Time: 0.762 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.302 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yz) 0.00000000 (yz) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1240 Number of blocks in projector: 1240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1240, 1221), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yz) -0.00000000 (yz) 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 05:22:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:22:35]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.727487310000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.152961830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.387915810000000 Atomic positions (fractional): 1 F 0.16340680748327 0.43280815618585 0.39756432715027 18.998 2 F 0.33659319251672 0.56719184381415 0.89756432715027 18.998 3 F 0.66340680748327 0.06719184381415 0.10243567284973 18.998 4 F 0.83659319251673 0.93280815618585 0.60243567284973 18.998 5 F 0.51496502385544 0.25000000000000 0.56986283649793 18.998 6 F 0.98503497614456 0.75000000000000 0.06986283649793 18.998 7 F 0.01496502385544 0.25000000000000 0.93013716350207 18.998 8 F 0.48503497614456 0.75000000000000 0.43013716350207 18.998 9 F 0.16340680748327 0.06719184381415 0.39756432715027 18.998 10 F 0.33659319251672 0.93280815618585 0.89756432715027 18.998 11 F 0.66340680748327 0.43280815618585 0.10243567284973 18.998 12 F 0.83659319251673 0.56719184381415 0.60243567284973 18.998 13 Bi 0.62955200979726 0.75000000000000 0.93144953890228 208.980 14 Bi 0.87044799020274 0.25000000000000 0.43144953890228 208.980 15 Bi 0.12955200979726 0.75000000000000 0.56855046109772 208.980 16 Bi 0.37044799020274 0.25000000000000 0.06855046109772 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.454974620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.305923659999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.775831620000000 Atomic positions (fractional): 1 F 0.08170340374164 0.21640407809293 0.19878216357514 18.998 > 1 2 F 0.58170340374164 0.21640407809293 0.19878216357514 18.998 > 1 3 F 0.08170340374164 0.71640407809293 0.19878216357514 18.998 > 1 4 F 0.58170340374164 0.71640407809293 0.19878216357514 18.998 > 1 5 F 0.08170340374164 0.21640407809293 0.69878216357514 18.998 > 1 6 F 0.58170340374164 0.21640407809293 0.69878216357514 18.998 > 1 7 F 0.08170340374164 0.71640407809293 0.69878216357514 18.998 > 1 8 F 0.58170340374164 0.71640407809293 0.69878216357514 18.998 > 1 9 F 0.16829659625836 0.28359592190707 0.44878216357514 18.998 > 9 10 F 0.66829659625836 0.28359592190707 0.44878216357514 18.998 > 9 11 F 0.16829659625836 0.78359592190707 0.44878216357514 18.998 > 9 12 F 0.66829659625836 0.78359592190707 0.44878216357514 18.998 > 9 13 F 0.16829659625836 0.28359592190707 0.94878216357514 18.998 > 9 14 F 0.66829659625836 0.28359592190707 0.94878216357514 18.998 > 9 15 F 0.16829659625836 0.78359592190707 0.94878216357514 18.998 > 9 16 F 0.66829659625836 0.78359592190707 0.94878216357514 18.998 > 9 17 F 0.33170340374164 0.03359592190707 0.05121783642486 18.998 > 17 18 F 0.83170340374164 0.03359592190707 0.05121783642486 18.998 > 17 19 F 0.33170340374164 0.53359592190707 0.05121783642486 18.998 > 17 20 F 0.83170340374164 0.53359592190707 0.05121783642486 18.998 > 17 21 F 0.33170340374164 0.03359592190707 0.55121783642486 18.998 > 17 22 F 0.83170340374164 0.03359592190707 0.55121783642486 18.998 > 17 23 F 0.33170340374164 0.53359592190707 0.55121783642486 18.998 > 17 24 F 0.83170340374164 0.53359592190707 0.55121783642486 18.998 > 17 25 F 0.41829659625836 0.46640407809293 0.30121783642486 18.998 > 25 26 F 0.91829659625836 0.46640407809293 0.30121783642486 18.998 > 25 27 F 0.41829659625836 0.96640407809293 0.30121783642486 18.998 > 25 28 F 0.91829659625836 0.96640407809293 0.30121783642486 18.998 > 25 29 F 0.41829659625836 0.46640407809293 0.80121783642486 18.998 > 25 30 F 0.91829659625836 0.46640407809293 0.80121783642486 18.998 > 25 31 F 0.41829659625836 0.96640407809293 0.80121783642486 18.998 > 25 32 F 0.91829659625836 0.96640407809293 0.80121783642486 18.998 > 25 33 F 0.25748251192772 0.12500000000000 0.28493141824896 18.998 > 33 34 F 0.75748251192772 0.12500000000000 0.28493141824896 18.998 > 33 35 F 0.25748251192772 0.62500000000000 0.28493141824896 18.998 > 33 36 F 0.75748251192772 0.62500000000000 0.28493141824896 18.998 > 33 37 F 0.25748251192772 0.12500000000000 0.78493141824896 18.998 > 33 38 F 0.75748251192772 0.12500000000000 0.78493141824896 18.998 > 33 39 F 0.25748251192772 0.62500000000000 0.78493141824896 18.998 > 33 40 F 0.75748251192772 0.62500000000000 0.78493141824896 18.998 > 33 41 F 0.49251748807228 0.37500000000000 0.03493141824896 18.998 > 41 42 F 0.99251748807228 0.37500000000000 0.03493141824896 18.998 > 41 43 F 0.49251748807228 0.87500000000000 0.03493141824896 18.998 > 41 44 F 0.99251748807228 0.87500000000000 0.03493141824896 18.998 > 41 45 F 0.49251748807228 0.37500000000000 0.53493141824896 18.998 > 41 46 F 0.99251748807228 0.37500000000000 0.53493141824896 18.998 > 41 47 F 0.49251748807228 0.87500000000000 0.53493141824896 18.998 > 41 48 F 0.99251748807228 0.87500000000000 0.53493141824896 18.998 > 41 49 F 0.00748251192772 0.12500000000000 0.46506858175104 18.998 > 49 50 F 0.50748251192772 0.12500000000000 0.46506858175104 18.998 > 49 51 F 0.00748251192772 0.62500000000000 0.46506858175104 18.998 > 49 52 F 0.50748251192772 0.62500000000000 0.46506858175104 18.998 > 49 53 F 0.00748251192772 0.12500000000000 0.96506858175104 18.998 > 49 54 F 0.50748251192772 0.12500000000000 0.96506858175104 18.998 > 49 55 F 0.00748251192772 0.62500000000000 0.96506858175104 18.998 > 49 56 F 0.50748251192772 0.62500000000000 0.96506858175104 18.998 > 49 57 F 0.24251748807228 0.37500000000000 0.21506858175104 18.998 > 57 58 F 0.74251748807228 0.37500000000000 0.21506858175104 18.998 > 57 59 F 0.24251748807228 0.87500000000000 0.21506858175104 18.998 > 57 60 F 0.74251748807228 0.87500000000000 0.21506858175104 18.998 > 57 61 F 0.24251748807228 0.37500000000000 0.71506858175104 18.998 > 57 62 F 0.74251748807228 0.37500000000000 0.71506858175104 18.998 > 57 63 F 0.24251748807228 0.87500000000000 0.71506858175104 18.998 > 57 64 F 0.74251748807228 0.87500000000000 0.71506858175104 18.998 > 57 65 F 0.08170340374164 0.03359592190707 0.19878216357514 18.998 > 65 66 F 0.58170340374164 0.03359592190707 0.19878216357514 18.998 > 65 67 F 0.08170340374164 0.53359592190707 0.19878216357514 18.998 > 65 68 F 0.58170340374164 0.53359592190707 0.19878216357514 18.998 > 65 69 F 0.08170340374164 0.03359592190707 0.69878216357514 18.998 > 65 70 F 0.58170340374164 0.03359592190707 0.69878216357514 18.998 > 65 71 F 0.08170340374164 0.53359592190707 0.69878216357514 18.998 > 65 72 F 0.58170340374164 0.53359592190707 0.69878216357514 18.998 > 65 73 F 0.16829659625836 0.46640407809293 0.44878216357514 18.998 > 73 74 F 0.66829659625836 0.46640407809293 0.44878216357514 18.998 > 73 75 F 0.16829659625836 0.96640407809293 0.44878216357514 18.998 > 73 76 F 0.66829659625836 0.96640407809293 0.44878216357514 18.998 > 73 77 F 0.16829659625836 0.46640407809293 0.94878216357514 18.998 > 73 78 F 0.66829659625836 0.46640407809293 0.94878216357514 18.998 > 73 79 F 0.16829659625836 0.96640407809293 0.94878216357514 18.998 > 73 80 F 0.66829659625836 0.96640407809293 0.94878216357514 18.998 > 73 81 F 0.33170340374164 0.21640407809293 0.05121783642486 18.998 > 81 82 F 0.83170340374164 0.21640407809293 0.05121783642486 18.998 > 81 83 F 0.33170340374164 0.71640407809293 0.05121783642486 18.998 > 81 84 F 0.83170340374164 0.71640407809293 0.05121783642486 18.998 > 81 85 F 0.33170340374164 0.21640407809293 0.55121783642486 18.998 > 81 86 F 0.83170340374164 0.21640407809293 0.55121783642486 18.998 > 81 87 F 0.33170340374164 0.71640407809293 0.55121783642486 18.998 > 81 88 F 0.83170340374164 0.71640407809293 0.55121783642486 18.998 > 81 89 F 0.41829659625836 0.28359592190707 0.30121783642486 18.998 > 89 90 F 0.91829659625836 0.28359592190707 0.30121783642486 18.998 > 89 91 F 0.41829659625836 0.78359592190707 0.30121783642486 18.998 > 89 92 F 0.91829659625836 0.78359592190707 0.30121783642486 18.998 > 89 93 F 0.41829659625836 0.28359592190707 0.80121783642486 18.998 > 89 94 F 0.91829659625836 0.28359592190707 0.80121783642486 18.998 > 89 95 F 0.41829659625836 0.78359592190707 0.80121783642486 18.998 > 89 96 F 0.91829659625836 0.78359592190707 0.80121783642486 18.998 > 89 97 Bi 0.31477600489863 0.37500000000000 0.46572476945114 208.980 > 97 98 Bi 0.81477600489863 0.37500000000000 0.46572476945114 208.980 > 97 99 Bi 0.31477600489863 0.87500000000000 0.46572476945114 208.980 > 97 100 Bi 0.81477600489863 0.87500000000000 0.46572476945114 208.980 > 97 101 Bi 0.31477600489863 0.37500000000000 0.96572476945114 208.980 > 97 102 Bi 0.81477600489863 0.37500000000000 0.96572476945114 208.980 > 97 103 Bi 0.31477600489863 0.87500000000000 0.96572476945114 208.980 > 97 104 Bi 0.81477600489863 0.87500000000000 0.96572476945114 208.980 > 97 105 Bi 0.43522399510137 0.12500000000000 0.21572476945114 208.980 > 105 106 Bi 0.93522399510137 0.12500000000000 0.21572476945114 208.980 > 105 107 Bi 0.43522399510137 0.62500000000000 0.21572476945114 208.980 > 105 108 Bi 0.93522399510137 0.62500000000000 0.21572476945114 208.980 > 105 109 Bi 0.43522399510137 0.12500000000000 0.71572476945114 208.980 > 105 110 Bi 0.93522399510137 0.12500000000000 0.71572476945114 208.980 > 105 111 Bi 0.43522399510137 0.62500000000000 0.71572476945114 208.980 > 105 112 Bi 0.93522399510137 0.62500000000000 0.71572476945114 208.980 > 105 113 Bi 0.06477600489863 0.37500000000000 0.28427523054886 208.980 > 113 114 Bi 0.56477600489863 0.37500000000000 0.28427523054886 208.980 > 113 115 Bi 0.06477600489863 0.87500000000000 0.28427523054886 208.980 > 113 116 Bi 0.56477600489863 0.87500000000000 0.28427523054886 208.980 > 113 117 Bi 0.06477600489863 0.37500000000000 0.78427523054886 208.980 > 113 118 Bi 0.56477600489863 0.37500000000000 0.78427523054886 208.980 > 113 119 Bi 0.06477600489863 0.87500000000000 0.78427523054886 208.980 > 113 120 Bi 0.56477600489863 0.87500000000000 0.78427523054886 208.980 > 113 121 Bi 0.18522399510137 0.12500000000000 0.03427523054886 208.980 > 121 122 Bi 0.68522399510137 0.12500000000000 0.03427523054886 208.980 > 121 123 Bi 0.18522399510137 0.62500000000000 0.03427523054886 208.980 > 121 124 Bi 0.68522399510137 0.62500000000000 0.03427523054886 208.980 > 121 125 Bi 0.18522399510137 0.12500000000000 0.53427523054886 208.980 > 121 126 Bi 0.68522399510137 0.12500000000000 0.53427523054886 208.980 > 121 127 Bi 0.18522399510137 0.62500000000000 0.53427523054886 208.980 > 121 128 Bi 0.68522399510137 0.62500000000000 0.53427523054886 208.980 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8289765 0.0000000 0.0000000 0.0000000 3.7632027 0.0000000 0.0000000 0.0000000 3.7239944 -------------------------- Born effective charges -------------------------- 1 F -1.6607077 -0.0476242 0.4087254 -0.0492214 -2.2033898 -0.6109262 0.4688826 -0.6302177 -1.1099161 2 F -1.6607077 -0.0476242 -0.4087254 -0.0492214 -2.2033898 0.6109262 -0.4688826 0.6302177 -1.1099161 3 F -1.6607077 0.0476242 -0.4087254 0.0492214 -2.2033898 -0.6109262 -0.4688826 -0.6302177 -1.1099161 4 F -1.6607077 0.0476242 0.4087254 0.0492214 -2.2033898 0.6109262 0.4688826 0.6302177 -1.1099161 5 F -1.8136221 0.0000000 0.2501160 0.0000000 -0.5762232 0.0000000 0.3645413 0.0000000 -2.4464041 6 F -1.8136221 0.0000000 -0.2501160 0.0000000 -0.5762232 0.0000000 -0.3645413 0.0000000 -2.4464041 7 F -1.8136221 0.0000000 -0.2501160 0.0000000 -0.5762232 0.0000000 -0.3645413 0.0000000 -2.4464041 8 F -1.8136221 0.0000000 0.2501160 0.0000000 -0.5762232 0.0000000 0.3645413 0.0000000 -2.4464041 9 F -1.6607077 0.0476242 0.4087254 0.0492214 -2.2033898 0.6109262 0.4688826 0.6302177 -1.1099161 10 F -1.6607077 0.0476242 -0.4087254 0.0492214 -2.2033898 -0.6109262 -0.4688826 -0.6302177 -1.1099161 11 F -1.6607077 -0.0476242 -0.4087254 -0.0492214 -2.2033898 0.6109262 -0.4688826 0.6302177 -1.1099161 12 F -1.6607077 -0.0476242 0.4087254 -0.0492214 -2.2033898 -0.6109262 0.4688826 -0.6302177 -1.1099161 13 Bi 5.1350375 0.0000000 -0.5312812 0.0000000 4.9830028 0.0000000 -0.3564728 0.0000000 4.6662362 14 Bi 5.1350375 0.0000000 0.5312812 0.0000000 4.9830028 0.0000000 0.3564728 0.0000000 4.6662362 15 Bi 5.1350375 0.0000000 0.5312812 0.0000000 4.9830028 0.0000000 0.3564728 0.0000000 4.6662362 16 Bi 5.1350375 0.0000000 -0.5312812 0.0000000 4.9830028 0.0000000 -0.3564728 0.0000000 4.6662362 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000102 (xxx) -0.00000102 (xxx) -0.00000102 (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 05:22:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:22:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.727487310000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.152961830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.387915810000000 Atomic positions (fractional): 1 F 0.16340680748327 0.43280815618585 0.39756432715027 18.998 2 F 0.33659319251672 0.56719184381415 0.89756432715027 18.998 3 F 0.66340680748327 0.06719184381415 0.10243567284973 18.998 4 F 0.83659319251673 0.93280815618585 0.60243567284973 18.998 5 F 0.51496502385544 0.25000000000000 0.56986283649793 18.998 6 F 0.98503497614456 0.75000000000000 0.06986283649793 18.998 7 F 0.01496502385544 0.25000000000000 0.93013716350207 18.998 8 F 0.48503497614456 0.75000000000000 0.43013716350207 18.998 9 F 0.16340680748327 0.06719184381415 0.39756432715027 18.998 10 F 0.33659319251672 0.93280815618585 0.89756432715027 18.998 11 F 0.66340680748327 0.43280815618585 0.10243567284973 18.998 12 F 0.83659319251673 0.56719184381415 0.60243567284973 18.998 13 Bi 0.62955200979726 0.75000000000000 0.93144953890228 208.980 14 Bi 0.87044799020274 0.25000000000000 0.43144953890228 208.980 15 Bi 0.12955200979726 0.75000000000000 0.56855046109772 208.980 16 Bi 0.37044799020274 0.25000000000000 0.06855046109772 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.454974620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.305923659999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.775831620000000 Atomic positions (fractional): 1 F 0.08170340374164 0.21640407809293 0.19878216357514 18.998 > 1 2 F 0.58170340374164 0.21640407809293 0.19878216357514 18.998 > 1 3 F 0.08170340374164 0.71640407809293 0.19878216357514 18.998 > 1 4 F 0.58170340374164 0.71640407809293 0.19878216357514 18.998 > 1 5 F 0.08170340374164 0.21640407809293 0.69878216357514 18.998 > 1 6 F 0.58170340374164 0.21640407809293 0.69878216357514 18.998 > 1 7 F 0.08170340374164 0.71640407809293 0.69878216357514 18.998 > 1 8 F 0.58170340374164 0.71640407809293 0.69878216357514 18.998 > 1 9 F 0.16829659625836 0.28359592190707 0.44878216357514 18.998 > 9 10 F 0.66829659625836 0.28359592190707 0.44878216357514 18.998 > 9 11 F 0.16829659625836 0.78359592190707 0.44878216357514 18.998 > 9 12 F 0.66829659625836 0.78359592190707 0.44878216357514 18.998 > 9 13 F 0.16829659625836 0.28359592190707 0.94878216357514 18.998 > 9 14 F 0.66829659625836 0.28359592190707 0.94878216357514 18.998 > 9 15 F 0.16829659625836 0.78359592190707 0.94878216357514 18.998 > 9 16 F 0.66829659625836 0.78359592190707 0.94878216357514 18.998 > 9 17 F 0.33170340374164 0.03359592190707 0.05121783642486 18.998 > 17 18 F 0.83170340374164 0.03359592190707 0.05121783642486 18.998 > 17 19 F 0.33170340374164 0.53359592190707 0.05121783642486 18.998 > 17 20 F 0.83170340374164 0.53359592190707 0.05121783642486 18.998 > 17 21 F 0.33170340374164 0.03359592190707 0.55121783642486 18.998 > 17 22 F 0.83170340374164 0.03359592190707 0.55121783642486 18.998 > 17 23 F 0.33170340374164 0.53359592190707 0.55121783642486 18.998 > 17 24 F 0.83170340374164 0.53359592190707 0.55121783642486 18.998 > 17 25 F 0.41829659625836 0.46640407809293 0.30121783642486 18.998 > 25 26 F 0.91829659625836 0.46640407809293 0.30121783642486 18.998 > 25 27 F 0.41829659625836 0.96640407809293 0.30121783642486 18.998 > 25 28 F 0.91829659625836 0.96640407809293 0.30121783642486 18.998 > 25 29 F 0.41829659625836 0.46640407809293 0.80121783642486 18.998 > 25 30 F 0.91829659625836 0.46640407809293 0.80121783642486 18.998 > 25 31 F 0.41829659625836 0.96640407809293 0.80121783642486 18.998 > 25 32 F 0.91829659625836 0.96640407809293 0.80121783642486 18.998 > 25 33 F 0.25748251192772 0.12500000000000 0.28493141824896 18.998 > 33 34 F 0.75748251192772 0.12500000000000 0.28493141824896 18.998 > 33 35 F 0.25748251192772 0.62500000000000 0.28493141824896 18.998 > 33 36 F 0.75748251192772 0.62500000000000 0.28493141824896 18.998 > 33 37 F 0.25748251192772 0.12500000000000 0.78493141824896 18.998 > 33 38 F 0.75748251192772 0.12500000000000 0.78493141824896 18.998 > 33 39 F 0.25748251192772 0.62500000000000 0.78493141824896 18.998 > 33 40 F 0.75748251192772 0.62500000000000 0.78493141824896 18.998 > 33 41 F 0.49251748807228 0.37500000000000 0.03493141824896 18.998 > 41 42 F 0.99251748807228 0.37500000000000 0.03493141824896 18.998 > 41 43 F 0.49251748807228 0.87500000000000 0.03493141824896 18.998 > 41 44 F 0.99251748807228 0.87500000000000 0.03493141824896 18.998 > 41 45 F 0.49251748807228 0.37500000000000 0.53493141824896 18.998 > 41 46 F 0.99251748807228 0.37500000000000 0.53493141824896 18.998 > 41 47 F 0.49251748807228 0.87500000000000 0.53493141824896 18.998 > 41 48 F 0.99251748807228 0.87500000000000 0.53493141824896 18.998 > 41 49 F 0.00748251192772 0.12500000000000 0.46506858175104 18.998 > 49 50 F 0.50748251192772 0.12500000000000 0.46506858175104 18.998 > 49 51 F 0.00748251192772 0.62500000000000 0.46506858175104 18.998 > 49 52 F 0.50748251192772 0.62500000000000 0.46506858175104 18.998 > 49 53 F 0.00748251192772 0.12500000000000 0.96506858175104 18.998 > 49 54 F 0.50748251192772 0.12500000000000 0.96506858175104 18.998 > 49 55 F 0.00748251192772 0.62500000000000 0.96506858175104 18.998 > 49 56 F 0.50748251192772 0.62500000000000 0.96506858175104 18.998 > 49 57 F 0.24251748807228 0.37500000000000 0.21506858175104 18.998 > 57 58 F 0.74251748807228 0.37500000000000 0.21506858175104 18.998 > 57 59 F 0.24251748807228 0.87500000000000 0.21506858175104 18.998 > 57 60 F 0.74251748807228 0.87500000000000 0.21506858175104 18.998 > 57 61 F 0.24251748807228 0.37500000000000 0.71506858175104 18.998 > 57 62 F 0.74251748807228 0.37500000000000 0.71506858175104 18.998 > 57 63 F 0.24251748807228 0.87500000000000 0.71506858175104 18.998 > 57 64 F 0.74251748807228 0.87500000000000 0.71506858175104 18.998 > 57 65 F 0.08170340374164 0.03359592190707 0.19878216357514 18.998 > 65 66 F 0.58170340374164 0.03359592190707 0.19878216357514 18.998 > 65 67 F 0.08170340374164 0.53359592190707 0.19878216357514 18.998 > 65 68 F 0.58170340374164 0.53359592190707 0.19878216357514 18.998 > 65 69 F 0.08170340374164 0.03359592190707 0.69878216357514 18.998 > 65 70 F 0.58170340374164 0.03359592190707 0.69878216357514 18.998 > 65 71 F 0.08170340374164 0.53359592190707 0.69878216357514 18.998 > 65 72 F 0.58170340374164 0.53359592190707 0.69878216357514 18.998 > 65 73 F 0.16829659625836 0.46640407809293 0.44878216357514 18.998 > 73 74 F 0.66829659625836 0.46640407809293 0.44878216357514 18.998 > 73 75 F 0.16829659625836 0.96640407809293 0.44878216357514 18.998 > 73 76 F 0.66829659625836 0.96640407809293 0.44878216357514 18.998 > 73 77 F 0.16829659625836 0.46640407809293 0.94878216357514 18.998 > 73 78 F 0.66829659625836 0.46640407809293 0.94878216357514 18.998 > 73 79 F 0.16829659625836 0.96640407809293 0.94878216357514 18.998 > 73 80 F 0.66829659625836 0.96640407809293 0.94878216357514 18.998 > 73 81 F 0.33170340374164 0.21640407809293 0.05121783642486 18.998 > 81 82 F 0.83170340374164 0.21640407809293 0.05121783642486 18.998 > 81 83 F 0.33170340374164 0.71640407809293 0.05121783642486 18.998 > 81 84 F 0.83170340374164 0.71640407809293 0.05121783642486 18.998 > 81 85 F 0.33170340374164 0.21640407809293 0.55121783642486 18.998 > 81 86 F 0.83170340374164 0.21640407809293 0.55121783642486 18.998 > 81 87 F 0.33170340374164 0.71640407809293 0.55121783642486 18.998 > 81 88 F 0.83170340374164 0.71640407809293 0.55121783642486 18.998 > 81 89 F 0.41829659625836 0.28359592190707 0.30121783642486 18.998 > 89 90 F 0.91829659625836 0.28359592190707 0.30121783642486 18.998 > 89 91 F 0.41829659625836 0.78359592190707 0.30121783642486 18.998 > 89 92 F 0.91829659625836 0.78359592190707 0.30121783642486 18.998 > 89 93 F 0.41829659625836 0.28359592190707 0.80121783642486 18.998 > 89 94 F 0.91829659625836 0.28359592190707 0.80121783642486 18.998 > 89 95 F 0.41829659625836 0.78359592190707 0.80121783642486 18.998 > 89 96 F 0.91829659625836 0.78359592190707 0.80121783642486 18.998 > 89 97 Bi 0.31477600489863 0.37500000000000 0.46572476945114 208.980 > 97 98 Bi 0.81477600489863 0.37500000000000 0.46572476945114 208.980 > 97 99 Bi 0.31477600489863 0.87500000000000 0.46572476945114 208.980 > 97 100 Bi 0.81477600489863 0.87500000000000 0.46572476945114 208.980 > 97 101 Bi 0.31477600489863 0.37500000000000 0.96572476945114 208.980 > 97 102 Bi 0.81477600489863 0.37500000000000 0.96572476945114 208.980 > 97 103 Bi 0.31477600489863 0.87500000000000 0.96572476945114 208.980 > 97 104 Bi 0.81477600489863 0.87500000000000 0.96572476945114 208.980 > 97 105 Bi 0.43522399510137 0.12500000000000 0.21572476945114 208.980 > 105 106 Bi 0.93522399510137 0.12500000000000 0.21572476945114 208.980 > 105 107 Bi 0.43522399510137 0.62500000000000 0.21572476945114 208.980 > 105 108 Bi 0.93522399510137 0.62500000000000 0.21572476945114 208.980 > 105 109 Bi 0.43522399510137 0.12500000000000 0.71572476945114 208.980 > 105 110 Bi 0.93522399510137 0.12500000000000 0.71572476945114 208.980 > 105 111 Bi 0.43522399510137 0.62500000000000 0.71572476945114 208.980 > 105 112 Bi 0.93522399510137 0.62500000000000 0.71572476945114 208.980 > 105 113 Bi 0.06477600489863 0.37500000000000 0.28427523054886 208.980 > 113 114 Bi 0.56477600489863 0.37500000000000 0.28427523054886 208.980 > 113 115 Bi 0.06477600489863 0.87500000000000 0.28427523054886 208.980 > 113 116 Bi 0.56477600489863 0.87500000000000 0.28427523054886 208.980 > 113 117 Bi 0.06477600489863 0.37500000000000 0.78427523054886 208.980 > 113 118 Bi 0.56477600489863 0.37500000000000 0.78427523054886 208.980 > 113 119 Bi 0.06477600489863 0.87500000000000 0.78427523054886 208.980 > 113 120 Bi 0.56477600489863 0.87500000000000 0.78427523054886 208.980 > 113 121 Bi 0.18522399510137 0.12500000000000 0.03427523054886 208.980 > 121 122 Bi 0.68522399510137 0.12500000000000 0.03427523054886 208.980 > 121 123 Bi 0.18522399510137 0.62500000000000 0.03427523054886 208.980 > 121 124 Bi 0.68522399510137 0.62500000000000 0.03427523054886 208.980 > 121 125 Bi 0.18522399510137 0.12500000000000 0.53427523054886 208.980 > 121 126 Bi 0.68522399510137 0.12500000000000 0.53427523054886 208.980 > 121 127 Bi 0.18522399510137 0.62500000000000 0.53427523054886 208.980 > 121 128 Bi 0.68522399510137 0.62500000000000 0.53427523054886 208.980 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8289765 0.0000000 0.0000000 0.0000000 3.7632027 0.0000000 0.0000000 0.0000000 3.7239944 -------------------------- Born effective charges -------------------------- 1 F -1.6607077 -0.0476242 0.4087254 -0.0492214 -2.2033898 -0.6109262 0.4688826 -0.6302177 -1.1099161 2 F -1.6607077 -0.0476242 -0.4087254 -0.0492214 -2.2033898 0.6109262 -0.4688826 0.6302177 -1.1099161 3 F -1.6607077 0.0476242 -0.4087254 0.0492214 -2.2033898 -0.6109262 -0.4688826 -0.6302177 -1.1099161 4 F -1.6607077 0.0476242 0.4087254 0.0492214 -2.2033898 0.6109262 0.4688826 0.6302177 -1.1099161 5 F -1.8136221 0.0000000 0.2501160 0.0000000 -0.5762232 0.0000000 0.3645413 0.0000000 -2.4464041 6 F -1.8136221 0.0000000 -0.2501160 0.0000000 -0.5762232 0.0000000 -0.3645413 0.0000000 -2.4464041 7 F -1.8136221 0.0000000 -0.2501160 0.0000000 -0.5762232 0.0000000 -0.3645413 0.0000000 -2.4464041 8 F -1.8136221 0.0000000 0.2501160 0.0000000 -0.5762232 0.0000000 0.3645413 0.0000000 -2.4464041 9 F -1.6607077 0.0476242 0.4087254 0.0492214 -2.2033898 0.6109262 0.4688826 0.6302177 -1.1099161 10 F -1.6607077 0.0476242 -0.4087254 0.0492214 -2.2033898 -0.6109262 -0.4688826 -0.6302177 -1.1099161 11 F -1.6607077 -0.0476242 -0.4087254 -0.0492214 -2.2033898 0.6109262 -0.4688826 0.6302177 -1.1099161 12 F -1.6607077 -0.0476242 0.4087254 -0.0492214 -2.2033898 -0.6109262 0.4688826 -0.6302177 -1.1099161 13 Bi 5.1350375 0.0000000 -0.5312812 0.0000000 4.9830028 0.0000000 -0.3564728 0.0000000 4.6662362 14 Bi 5.1350375 0.0000000 0.5312812 0.0000000 4.9830028 0.0000000 0.3564728 0.0000000 4.6662362 15 Bi 5.1350375 0.0000000 0.5312812 0.0000000 4.9830028 0.0000000 0.3564728 0.0000000 4.6662362 16 Bi 5.1350375 0.0000000 -0.5312812 0.0000000 4.9830028 0.0000000 -0.3564728 0.0000000 4.6662362 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000102 (xxx) -0.00000102 (xxx) -0.00000102 (xxx) Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 11 ] 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: 0.70, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 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 1.581 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.267 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 6.451 ( 0.000 0.000 0.000) 0.000 6.627 ( 0.000 0.000 0.000) 0.000 6.783 ( 0.000 0.000 0.000) 0.000 6.788 ( 0.000 0.000 0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.624 ( 0.000 0.000 0.000) 0.000 7.852 ( 0.000 0.000 0.000) 0.000 7.884 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.344 ( 0.000 0.000 0.000) 0.000 8.833 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 8.968 ( 0.000 0.000 0.000) 0.000 9.169 ( 0.000 0.000 0.000) 0.000 9.575 ( 0.000 0.000 0.000) 0.000 9.893 ( 0.000 0.000 0.000) 0.000 10.223 ( 0.000 0.000 0.000) 0.000 10.295 ( 0.000 0.000 0.000) 0.000 10.841 ( 0.000 0.000 0.000) 0.000 11.840 ( 0.000 0.000 0.000) 0.000 13.261 ( 0.000 0.000 0.000) 0.000 13.521 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 21.725 0.000 0.000) 21.725 0.495 ( 22.272 0.000 0.000) 22.272 0.953 ( 43.077 0.000 0.000) 43.077 1.735 ( 9.681 0.000 0.000) 9.681 1.937 ( 4.803 0.000 0.000) 4.803 2.047 ( 0.836 0.000 0.000) 0.836 2.240 ( -17.768 0.000 0.000) 17.768 2.722 ( 7.235 0.000 0.000) 7.235 2.927 ( 9.997 0.000 0.000) 9.997 3.115 ( -0.760 0.000 0.000) 0.760 3.662 ( -1.464 0.000 0.000) 1.464 3.954 ( -6.154 0.000 0.000) 6.154 4.016 ( 4.783 0.000 0.000) 4.783 4.089 ( 1.101 0.000 0.000) 1.101 4.361 ( -1.098 0.000 0.000) 1.098 4.373 ( 7.877 0.000 0.000) 7.877 4.528 ( -7.151 0.000 0.000) 7.151 4.706 ( -6.266 0.000 0.000) 6.266 4.985 ( -3.142 0.000 0.000) 3.142 5.295 ( -9.768 0.000 0.000) 9.768 5.364 ( -1.440 0.000 0.000) 1.440 5.862 ( -0.743 0.000 0.000) 0.743 5.875 ( 16.496 0.000 0.000) 16.496 6.106 ( 13.937 0.000 0.000) 13.937 6.403 ( -12.616 0.000 0.000) 12.616 6.454 ( -0.013 0.000 0.000) 0.013 6.849 ( 6.006 0.000 0.000) 6.006 6.993 ( 11.357 0.000 0.000) 11.357 7.408 ( -10.414 0.000 0.000) 10.414 7.427 ( 4.814 0.000 0.000) 4.814 7.683 ( -5.826 0.000 0.000) 5.826 7.889 ( 10.661 0.000 0.000) 10.661 8.010 ( -4.137 0.000 0.000) 4.137 8.090 ( 0.636 0.000 0.000) 0.636 8.283 ( -5.409 0.000 0.000) 5.409 8.825 ( -0.609 0.000 0.000) 0.609 8.938 ( -2.877 0.000 0.000) 2.877 8.997 ( 10.202 0.000 0.000) 10.202 9.146 ( -2.232 0.000 0.000) 2.232 9.306 ( -19.231 0.000 0.000) 19.231 9.818 ( -7.483 0.000 0.000) 7.483 10.241 ( -5.059 0.000 0.000) 5.059 10.339 ( 9.900 0.000 0.000) 9.900 10.914 ( 5.254 0.000 0.000) 5.254 11.871 ( 2.802 0.000 0.000) 2.802 12.305 ( -1.678 0.000 0.000) 1.678 13.291 ( 0.285 0.000 0.000) 0.285 13.520 ( -0.207 0.000 0.000) 0.207 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 18.744 0.000 0.000) 18.744 0.929 ( 18.459 0.000 0.000) 18.459 1.611 ( 7.352 0.000 0.000) 7.352 1.883 ( -15.585 0.000 0.000) 15.585 1.933 ( 15.306 0.000 0.000) 15.306 2.069 ( 1.169 0.000 0.000) 1.169 2.195 ( 21.828 0.000 0.000) 21.828 3.011 ( 20.059 0.000 0.000) 20.059 3.044 ( 2.048 0.000 0.000) 2.048 3.095 ( -1.088 0.000 0.000) 1.088 3.601 ( -4.382 0.000 0.000) 4.382 3.809 ( -6.235 0.000 0.000) 6.235 4.160 ( 4.020 0.000 0.000) 4.020 4.162 ( 8.520 0.000 0.000) 8.520 4.262 ( -18.256 0.000 0.000) 18.256 4.332 ( -1.272 0.000 0.000) 1.272 4.479 ( -15.171 0.000 0.000) 15.171 4.595 ( 13.166 0.000 0.000) 13.166 4.881 ( -6.049 0.000 0.000) 6.049 5.187 ( 0.277 0.000 0.000) 0.277 5.359 ( 0.478 0.000 0.000) 0.478 5.757 ( -11.005 0.000 0.000) 11.005 6.217 ( -2.911 0.000 0.000) 2.911 6.269 ( 19.531 0.000 0.000) 19.531 6.396 ( 11.176 0.000 0.000) 11.176 6.433 ( -2.301 0.000 0.000) 2.301 7.017 ( 9.201 0.000 0.000) 9.201 7.196 ( -14.294 0.000 0.000) 14.294 7.202 ( 7.685 0.000 0.000) 7.685 7.236 ( -4.922 0.000 0.000) 4.922 7.940 ( -1.815 0.000 0.000) 1.815 7.980 ( 13.035 0.000 0.000) 13.035 8.077 ( 8.357 0.000 0.000) 8.357 8.097 ( 8.382 0.000 0.000) 8.382 8.139 ( -7.456 0.000 0.000) 7.456 8.817 ( 0.259 0.000 0.000) 0.259 8.821 ( -23.842 0.000 0.000) 23.842 8.841 ( -6.308 0.000 0.000) 6.308 9.070 ( -4.877 0.000 0.000) 4.877 9.262 ( 13.910 0.000 0.000) 13.910 9.570 ( -15.808 0.000 0.000) 15.808 10.086 ( -9.374 0.000 0.000) 9.374 10.587 ( 12.230 0.000 0.000) 12.230 10.998 ( 1.715 0.000 0.000) 1.715 11.950 ( 4.470 0.000 0.000) 4.470 12.249 ( -3.518 0.000 0.000) 3.518 13.316 ( 2.207 0.000 0.000) 2.207 13.506 ( -1.340 0.000 0.000) 1.340 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 14.799 0.000 0.000) 14.799 1.279 ( 14.750 0.000 0.000) 14.750 1.529 ( -9.388 0.000 0.000) 9.388 1.575 ( -13.726 0.000 0.000) 13.726 2.087 ( 1.746 0.000 0.000) 1.746 2.091 ( 0.732 0.000 0.000) 0.732 2.874 ( 33.971 0.000 0.000) 33.971 3.062 ( 0.354 0.000 0.000) 0.354 3.074 ( -0.814 0.000 0.000) 0.814 3.435 ( -14.881 0.000 0.000) 14.881 3.494 ( 21.942 0.000 0.000) 21.942 3.747 ( 2.939 0.000 0.000) 2.939 3.825 ( -18.175 0.000 0.000) 18.175 4.080 ( -21.430 0.000 0.000) 21.430 4.225 ( 2.250 0.000 0.000) 2.250 4.263 ( -0.994 0.000 0.000) 0.994 4.412 ( 10.511 0.000 0.000) 10.511 4.645 ( -9.783 0.000 0.000) 9.783 5.008 ( 18.634 0.000 0.000) 18.634 5.265 ( 5.242 0.000 0.000) 5.242 5.350 ( -2.083 0.000 0.000) 2.083 5.422 ( -18.883 0.000 0.000) 18.883 6.251 ( 4.316 0.000 0.000) 4.316 6.354 ( -4.779 0.000 0.000) 4.779 6.540 ( 3.324 0.000 0.000) 3.324 6.563 ( 4.034 0.000 0.000) 4.034 7.074 ( 5.203 0.000 0.000) 5.203 7.191 ( -1.793 0.000 0.000) 1.793 7.204 ( 7.424 0.000 0.000) 7.424 7.290 ( 0.064 0.000 0.000) 0.064 7.936 ( 1.269 0.000 0.000) 1.269 7.961 ( 0.104 0.000 0.000) 0.104 7.999 ( -4.969 0.000 0.000) 4.969 8.110 ( -10.520 0.000 0.000) 10.520 8.518 ( 1.359 0.000 0.000) 1.359 8.597 ( 23.252 0.000 0.000) 23.252 8.683 ( -4.756 0.000 0.000) 4.756 8.852 ( 3.263 0.000 0.000) 3.263 8.952 ( -5.709 0.000 0.000) 5.709 9.153 ( -23.098 0.000 0.000) 23.098 9.565 ( 14.200 0.000 0.000) 14.200 9.851 ( -12.523 0.000 0.000) 12.523 10.822 ( 9.410 0.000 0.000) 9.410 10.971 ( -4.286 0.000 0.000) 4.286 12.053 ( 5.061 0.000 0.000) 5.061 12.159 ( -4.790 0.000 0.000) 4.790 13.382 ( 3.749 0.000 0.000) 3.749 13.458 ( -3.090 0.000 0.000) 3.090 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 0.000 21.573 0.000) 21.573 0.450 ( 0.000 21.705 0.000) 21.705 0.943 ( 0.000 45.395 0.000) 45.395 1.569 ( 0.000 -0.944 0.000) 0.944 1.947 ( 0.000 3.754 0.000) 3.754 1.991 ( 0.000 -4.744 0.000) 4.744 2.404 ( 0.000 -1.617 0.000) 1.617 2.481 ( 0.000 -9.381 0.000) 9.381 2.564 ( 0.000 -8.973 0.000) 8.973 3.149 ( 0.000 2.119 0.000) 2.119 3.696 ( 0.000 2.132 0.000) 2.132 4.001 ( 0.000 0.624 0.000) 0.624 4.006 ( 0.000 -1.891 0.000) 1.891 4.130 ( 0.000 2.441 0.000) 2.441 4.248 ( 0.000 -1.968 0.000) 1.968 4.326 ( 0.000 -4.203 0.000) 4.203 4.670 ( 0.000 6.542 0.000) 6.542 4.792 ( 0.000 0.157 0.000) 0.157 5.019 ( 0.000 1.566 0.000) 1.566 5.268 ( 0.000 -12.022 0.000) 12.022 5.513 ( 0.000 0.182 0.000) 0.182 5.585 ( 0.000 -0.151 0.000) 0.151 5.717 ( 0.000 5.429 0.000) 5.429 5.981 ( 0.000 2.104 0.000) 2.104 6.404 ( 0.000 -2.555 0.000) 2.555 6.477 ( 0.000 1.500 0.000) 1.500 6.607 ( 0.000 -16.986 0.000) 16.986 6.727 ( 0.000 -5.887 0.000) 5.887 7.318 ( 0.000 6.180 0.000) 6.180 7.752 ( 0.000 11.051 0.000) 11.051 7.822 ( 0.000 -2.613 0.000) 2.613 7.857 ( 0.000 -2.105 0.000) 2.105 8.022 ( 0.000 1.881 0.000) 1.881 8.170 ( 0.000 -3.242 0.000) 3.242 8.376 ( 0.000 21.623 0.000) 21.623 8.780 ( 0.000 -6.075 0.000) 6.075 8.849 ( 0.000 -1.571 0.000) 1.571 8.992 ( 0.000 3.358 0.000) 3.358 9.199 ( 0.000 1.293 0.000) 1.293 9.566 ( 0.000 0.572 0.000) 0.572 9.919 ( 0.000 2.331 0.000) 2.331 10.282 ( 0.000 4.382 0.000) 4.382 10.300 ( 0.000 0.437 0.000) 0.437 10.787 ( 0.000 -5.281 0.000) 5.281 11.848 ( 0.000 1.680 0.000) 1.680 13.258 ( 0.000 0.322 0.000) 0.322 13.262 ( 0.000 0.166 0.000) 0.166 13.424 ( 0.000 -9.649 0.000) 9.649 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 15.358 13.750 0.000) 20.613 0.653 ( 16.845 14.623 0.000) 22.307 1.319 ( 27.751 29.372 0.000) 40.409 1.720 ( 9.617 -1.296 0.000) 9.704 1.974 ( 5.394 4.186 0.000) 6.827 1.995 ( 0.171 -5.338 0.000) 5.341 2.179 ( -15.153 -5.120 0.000) 15.995 2.579 ( 11.740 -8.589 0.000) 14.547 2.819 ( 10.794 -10.261 0.000) 14.893 3.141 ( -0.619 2.177 0.000) 2.264 3.674 ( -2.151 1.374 0.000) 2.553 3.919 ( -5.333 -1.194 0.000) 5.465 4.043 ( 3.808 1.397 0.000) 4.056 4.086 ( -1.518 0.056 0.000) 1.519 4.307 ( -1.003 -4.315 0.000) 4.430 4.348 ( 6.843 -1.948 0.000) 7.115 4.614 ( -5.594 7.619 0.000) 9.452 4.766 ( -3.814 3.869 0.000) 5.433 4.959 ( -4.756 -1.749 0.000) 5.068 5.273 ( -9.935 -1.224 0.000) 10.010 5.280 ( 1.238 -9.247 0.000) 9.330 5.825 ( 3.577 1.400 0.000) 3.842 5.898 ( 17.730 2.548 0.000) 17.912 6.073 ( 4.959 -3.556 0.000) 6.103 6.370 ( -1.171 -0.581 0.000) 1.308 6.458 ( -0.467 -2.067 0.000) 2.119 6.737 ( 9.483 -10.560 0.000) 14.193 6.885 ( 11.811 -7.739 0.000) 14.121 7.364 ( 1.458 -0.797 0.000) 1.662 7.499 ( -11.121 7.167 0.000) 13.231 7.635 ( -11.054 0.117 0.000) 11.054 7.982 ( 7.164 6.186 0.000) 9.465 8.067 ( -2.111 -1.858 0.000) 2.812 8.151 ( -3.390 -8.321 0.000) 8.985 8.328 ( 0.189 20.603 0.000) 20.604 8.788 ( 0.366 -4.575 0.000) 4.590 8.959 ( -1.904 1.513 0.000) 2.432 9.011 ( 11.227 4.176 0.000) 11.978 9.150 ( -5.267 -1.400 0.000) 5.450 9.364 ( -16.153 4.912 0.000) 16.883 9.872 ( -6.198 3.786 0.000) 7.263 10.244 ( -4.528 0.858 0.000) 4.608 10.391 ( 9.336 3.726 0.000) 10.052 10.904 ( 7.327 -4.333 0.000) 8.513 11.881 ( 2.992 1.960 0.000) 3.577 12.704 ( -25.569 21.927 0.000) 33.683 13.279 ( -0.385 -1.146 0.000) 1.209 13.428 ( 0.312 -9.068 0.000) 9.073 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 16.483 7.364 0.000) 18.054 1.032 ( 17.126 9.713 0.000) 19.689 1.684 ( -0.373 6.312 0.000) 6.323 1.859 ( -12.535 -2.159 0.000) 12.719 1.938 ( 11.878 -0.406 0.000) 11.885 2.027 ( 0.539 -3.674 0.000) 3.713 2.298 ( 26.673 10.966 0.000) 28.839 2.896 ( 16.944 -9.270 0.000) 19.314 2.973 ( 4.082 -7.639 0.000) 8.661 3.146 ( 3.098 3.890 0.000) 4.973 3.606 ( -4.118 0.702 0.000) 4.177 3.790 ( -5.680 -1.056 0.000) 5.778 4.066 ( -1.937 -5.783 0.000) 6.099 4.197 ( 9.955 2.432 0.000) 10.248 4.288 ( -0.841 -3.133 0.000) 3.244 4.324 ( -16.454 5.161 0.000) 17.244 4.554 ( -5.077 2.241 0.000) 5.550 4.620 ( 3.178 4.589 0.000) 5.582 4.856 ( -5.088 -2.481 0.000) 5.660 5.178 ( 1.383 0.149 0.000) 1.391 5.314 ( 1.247 -6.327 0.000) 6.449 5.736 ( -12.249 0.180 0.000) 12.250 6.113 ( 2.918 -4.917 0.000) 5.718 6.301 ( 19.389 3.268 0.000) 19.662 6.443 ( -1.869 -0.720 0.000) 2.003 6.499 ( 9.229 5.021 0.000) 10.506 6.932 ( 6.920 -7.332 0.000) 10.082 7.088 ( 5.995 -7.739 0.000) 9.789 7.211 ( -8.201 -0.413 0.000) 8.212 7.343 ( -3.514 7.260 0.000) 8.066 7.616 ( 2.638 -9.332 0.000) 9.698 8.031 ( -6.617 -7.688 0.000) 10.143 8.050 ( 3.099 -1.698 0.000) 3.534 8.138 ( 6.629 2.701 0.000) 7.158 8.401 ( 7.194 18.947 0.000) 20.266 8.807 ( 1.500 -2.312 0.000) 2.757 8.842 ( -21.575 0.365 0.000) 21.578 8.868 ( -5.571 3.418 0.000) 6.536 9.108 ( -7.545 4.162 0.000) 8.617 9.296 ( 14.371 4.735 0.000) 15.130 9.640 ( -15.067 5.479 0.000) 16.032 10.114 ( -8.102 2.917 0.000) 8.611 10.624 ( 11.416 2.264 0.000) 11.639 11.007 ( 1.749 -1.700 0.000) 2.439 11.965 ( 4.615 2.492 0.000) 5.245 12.351 ( -10.374 9.771 0.000) 14.251 13.286 ( 1.307 -2.949 0.000) 3.226 13.428 ( -0.602 -7.677 0.000) 7.701 ======================= Grid point 10 (8/96) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 13.778 4.378 0.000) 14.457 1.353 ( 13.145 7.166 0.000) 14.972 1.561 ( -9.268 3.486 0.000) 9.902 1.608 ( -11.344 3.487 0.000) 11.868 2.046 ( 0.920 -4.074 0.000) 4.177 2.051 ( 1.129 -3.357 0.000) 3.542 2.939 ( 23.600 3.238 0.000) 23.821 3.021 ( 1.002 -4.942 0.000) 5.042 3.078 ( 8.277 1.483 0.000) 8.409 3.463 ( 21.380 -1.493 0.000) 21.432 3.474 ( -11.139 3.344 0.000) 11.630 3.727 ( 1.467 -0.795 0.000) 1.669 3.848 ( -19.298 0.843 0.000) 19.316 3.954 ( -14.768 -4.425 0.000) 15.416 4.276 ( 0.121 -1.080 0.000) 1.087 4.331 ( -6.792 4.248 0.000) 8.011 4.434 ( 11.691 3.369 0.000) 12.167 4.664 ( -8.985 2.064 0.000) 9.219 4.952 ( 16.383 -5.176 0.000) 17.181 5.269 ( -8.744 -9.130 0.000) 12.642 5.278 ( 6.339 2.005 0.000) 6.649 5.436 ( -11.534 3.552 0.000) 12.068 6.217 ( 6.173 -1.432 0.000) 6.337 6.354 ( -6.109 -0.507 0.000) 6.130 6.612 ( 6.376 4.394 0.000) 7.744 6.628 ( 2.647 5.831 0.000) 6.404 7.008 ( 6.015 -5.627 0.000) 8.237 7.135 ( -2.022 -5.706 0.000) 6.053 7.248 ( 6.481 3.037 0.000) 7.158 7.312 ( -0.717 2.594 0.000) 2.691 7.659 ( 4.515 -14.010 0.000) 14.719 7.861 ( -10.484 -9.366 0.000) 14.059 8.111 ( 1.620 5.074 0.000) 5.327 8.180 ( -4.712 4.169 0.000) 6.292 8.551 ( 0.275 2.688 0.000) 2.702 8.672 ( 13.309 2.542 0.000) 13.550 8.696 ( -6.132 2.665 0.000) 6.686 8.928 ( 9.798 7.026 0.000) 12.056 8.936 ( -9.209 -0.420 0.000) 9.218 9.264 ( -19.183 8.115 0.000) 20.829 9.605 ( 14.424 4.725 0.000) 15.178 9.894 ( -12.384 4.438 0.000) 13.155 10.842 ( 8.636 0.509 0.000) 8.651 10.979 ( -4.115 -0.757 0.000) 4.184 12.069 ( 5.153 2.804 0.000) 5.867 12.187 ( -6.115 3.829 0.000) 7.215 13.335 ( 3.020 -4.676 0.000) 5.566 13.396 ( -2.392 -6.143 0.000) 6.592 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 0.000 18.129 0.000) 18.129 0.855 ( 0.000 20.136 0.000) 20.136 1.479 ( 0.000 -1.848 0.000) 1.848 1.839 ( 0.000 36.166 0.000) 36.166 1.842 ( 0.000 -10.396 0.000) 10.396 2.055 ( 0.000 7.872 0.000) 7.872 2.271 ( 0.000 -9.764 0.000) 9.764 2.353 ( 0.000 -10.795 0.000) 10.795 2.356 ( 0.000 -3.253 0.000) 3.253 3.172 ( 0.000 -1.318 0.000) 1.318 3.763 ( 0.000 4.726 0.000) 4.726 3.958 ( 0.000 -2.594 0.000) 2.594 3.993 ( 0.000 -2.512 0.000) 2.512 4.180 ( 0.000 -5.019 0.000) 5.019 4.205 ( 0.000 5.018 0.000) 5.018 4.259 ( 0.000 -0.158 0.000) 0.158 4.695 ( 0.000 -8.906 0.000) 8.906 4.841 ( 0.000 10.045 0.000) 10.045 4.965 ( 0.000 -17.107 0.000) 17.107 5.110 ( 0.000 5.738 0.000) 5.738 5.529 ( 0.000 1.563 0.000) 1.563 5.633 ( 0.000 4.796 0.000) 4.796 5.867 ( 0.000 9.325 0.000) 9.325 6.042 ( 0.000 3.966 0.000) 3.966 6.228 ( 0.000 -17.712 0.000) 17.712 6.341 ( 0.000 -3.651 0.000) 3.651 6.450 ( 0.000 -5.370 0.000) 5.370 6.564 ( 0.000 -10.049 0.000) 10.049 7.529 ( 0.000 12.845 0.000) 12.845 7.770 ( 0.000 -2.065 0.000) 2.065 7.832 ( 0.000 0.054 0.000) 0.054 7.903 ( 0.000 -0.754 0.000) 0.754 8.082 ( 0.000 3.913 0.000) 3.913 8.213 ( 0.000 11.939 0.000) 11.939 8.607 ( 0.000 -10.550 0.000) 10.550 8.705 ( 0.000 7.977 0.000) 7.977 8.820 ( 0.000 -1.481 0.000) 1.481 9.129 ( 0.000 -8.872 0.000) 8.872 9.204 ( 0.000 19.810 0.000) 19.810 9.665 ( 0.000 9.164 0.000) 9.164 9.970 ( 0.000 2.296 0.000) 2.296 10.308 ( 0.000 -3.860 0.000) 3.860 10.312 ( 0.000 0.770 0.000) 0.770 10.641 ( 0.000 -8.936 0.000) 8.936 11.962 ( 0.000 10.966 0.000) 10.966 13.146 ( 0.000 -17.810 0.000) 17.810 13.266 ( 0.000 0.352 0.000) 0.352 13.267 ( 0.000 0.234 0.000) 0.234 ======================= Grid point 15 (10/96) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 8.568 16.848 0.000) 18.902 0.986 ( 11.610 16.984 0.000) 20.573 1.636 ( 12.089 -3.587 0.000) 12.610 1.831 ( -1.154 -10.743 0.000) 10.805 1.920 ( 1.838 19.769 0.000) 19.854 2.092 ( -8.002 -2.470 0.000) 8.375 2.159 ( 14.331 18.886 0.000) 23.708 2.438 ( 7.865 -6.187 0.000) 10.007 2.556 ( 10.236 -14.860 0.000) 18.044 3.171 ( 0.369 -0.394 0.000) 0.540 3.725 ( -3.360 3.868 0.000) 5.124 3.899 ( -4.947 -1.140 0.000) 5.077 4.041 ( 4.121 -3.510 0.000) 5.413 4.080 ( -4.983 -1.940 0.000) 5.347 4.260 ( 1.059 2.551 0.000) 2.762 4.323 ( 6.910 0.609 0.000) 6.937 4.719 ( 1.360 -5.979 0.000) 6.132 4.806 ( -4.297 8.220 0.000) 9.275 4.987 ( -10.897 3.675 0.000) 11.500 5.017 ( 4.177 -15.793 0.000) 16.336 5.301 ( -8.149 5.217 0.000) 9.676 5.928 ( 3.746 7.373 0.000) 8.270 5.980 ( 19.936 4.731 0.000) 20.490 6.039 ( -3.161 0.925 0.000) 3.294 6.237 ( 1.797 -16.727 0.000) 16.823 6.354 ( 5.432 -1.395 0.000) 5.608 6.585 ( 10.308 -5.678 0.000) 11.769 6.708 ( 10.365 -9.986 0.000) 14.392 7.427 ( -10.556 5.611 0.000) 11.955 7.619 ( -8.197 4.142 0.000) 9.185 7.700 ( -6.876 4.882 0.000) 8.433 7.944 ( -0.835 -8.431 0.000) 8.472 8.030 ( -4.611 -0.413 0.000) 4.630 8.208 ( 0.333 13.115 0.000) 13.119 8.628 ( 2.566 -5.648 0.000) 6.204 8.651 ( -0.167 5.837 0.000) 5.839 8.953 ( 3.676 -1.549 0.000) 3.989 9.045 ( -7.793 -8.769 0.000) 11.732 9.279 ( 8.169 21.117 0.000) 22.642 9.520 ( -11.892 10.175 0.000) 15.651 9.935 ( -5.348 1.640 0.000) 5.594 10.278 ( -2.283 2.776 0.000) 3.594 10.399 ( 7.798 -4.925 0.000) 9.223 10.749 ( 7.759 -10.145 0.000) 12.772 12.005 ( 3.854 11.617 0.000) 12.239 12.992 ( -19.873 8.899 0.000) 21.774 13.167 ( 1.777 -16.791 0.000) 16.884 13.248 ( -2.555 -1.999 0.000) 3.244 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 11.913 11.253 0.000) 16.387 1.277 ( 14.070 13.596 0.000) 19.566 1.787 ( -2.930 -5.987 0.000) 6.665 1.795 ( -1.155 1.294 0.000) 1.734 1.943 ( 3.249 4.345 0.000) 5.425 1.983 ( -2.288 1.502 0.000) 2.737 2.566 ( 18.852 6.410 0.000) 19.912 2.729 ( 20.248 0.624 0.000) 20.258 2.737 ( 6.580 -15.313 0.000) 16.667 3.226 ( 6.276 3.236 0.000) 7.061 3.640 ( -4.071 2.959 0.000) 5.033 3.786 ( -4.722 0.725 0.000) 4.778 3.974 ( -5.451 -4.278 0.000) 6.929 4.128 ( 3.194 -7.916 0.000) 8.536 4.347 ( 7.398 7.747 0.000) 10.712 4.427 ( -6.416 4.476 0.000) 7.823 4.583 ( -8.460 2.546 0.000) 8.835 4.711 ( -7.196 2.662 0.000) 7.672 4.780 ( -1.919 -5.065 0.000) 5.416 5.092 ( 1.573 -14.357 0.000) 14.443 5.259 ( 3.319 9.104 0.000) 9.690 5.811 ( -11.694 6.730 0.000) 13.492 6.083 ( 5.918 1.239 0.000) 6.046 6.293 ( 2.152 -14.678 0.000) 14.835 6.400 ( 18.540 5.943 0.000) 19.469 6.543 ( 9.549 0.064 0.000) 9.549 6.799 ( 8.181 -5.088 0.000) 9.634 6.906 ( 7.062 -10.303 0.000) 12.490 7.199 ( -6.221 1.566 0.000) 6.415 7.495 ( -4.183 7.122 0.000) 8.260 7.557 ( -6.835 -1.209 0.000) 6.941 7.863 ( -5.515 -8.132 0.000) 9.825 8.044 ( 6.724 2.940 0.000) 7.339 8.244 ( 2.739 7.986 0.000) 8.443 8.660 ( 0.821 1.704 0.000) 1.892 8.713 ( 4.663 -0.908 0.000) 4.751 8.796 ( -14.748 -4.985 0.000) 15.567 8.941 ( -2.535 1.941 0.000) 3.193 9.240 ( -13.256 8.728 0.000) 15.871 9.519 ( 12.856 17.685 0.000) 21.864 9.715 ( -14.435 0.552 0.000) 14.446 10.211 ( -5.071 6.998 0.000) 8.642 10.592 ( 9.340 -7.113 0.000) 11.740 10.876 ( 3.123 -10.711 0.000) 11.157 12.108 ( 5.416 12.805 0.000) 13.903 12.594 ( -15.433 13.216 0.000) 20.318 13.199 ( -1.358 -5.696 0.000) 5.855 13.206 ( 1.462 -14.386 0.000) 14.460 ======================= Grid point 17 (12/96) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 10.739 6.680 0.000) 12.648 1.519 ( 6.812 7.644 0.000) 10.239 1.689 ( -5.801 8.924 0.000) 10.644 1.712 ( -4.186 5.209 0.000) 6.683 1.971 ( 0.578 -0.812 0.000) 0.997 1.983 ( 0.106 -1.594 0.000) 1.598 2.817 ( 4.744 -13.217 0.000) 14.043 2.832 ( 2.286 -13.968 0.000) 14.153 3.236 ( 24.012 11.453 0.000) 26.604 3.484 ( 16.562 2.946 0.000) 16.822 3.550 ( -5.728 4.148 0.000) 7.073 3.743 ( 2.420 2.609 0.000) 3.559 3.807 ( -11.724 -2.575 0.000) 12.004 4.018 ( -21.979 7.195 0.000) 23.127 4.193 ( 3.987 -6.715 0.000) 7.810 4.348 ( -11.370 -1.742 0.000) 11.503 4.536 ( 9.337 5.908 0.000) 11.049 4.706 ( -5.987 1.282 0.000) 6.123 4.834 ( 11.252 -5.636 0.000) 12.584 5.041 ( -6.719 -12.203 0.000) 13.930 5.384 ( 7.536 9.421 0.000) 12.064 5.568 ( -10.134 9.673 0.000) 14.009 6.202 ( 4.811 -1.564 0.000) 5.059 6.284 ( -2.772 -8.249 0.000) 8.703 6.701 ( 5.060 1.392 0.000) 5.248 6.710 ( 7.929 4.783 0.000) 9.260 6.884 ( 2.864 -5.356 0.000) 6.073 6.977 ( -1.302 -8.980 0.000) 9.074 7.288 ( 10.677 0.942 0.000) 10.718 7.399 ( -4.211 5.561 0.000) 6.975 7.469 ( 1.435 -4.989 0.000) 5.191 7.699 ( -11.897 -6.360 0.000) 13.491 8.206 ( 5.560 5.634 0.000) 7.915 8.271 ( -1.559 5.438 0.000) 5.657 8.589 ( -0.160 0.055 0.000) 0.169 8.693 ( -4.080 -3.361 0.000) 5.286 8.737 ( 4.973 4.634 0.000) 6.797 8.963 ( -12.874 3.712 0.000) 13.398 9.030 ( 12.543 0.949 0.000) 12.579 9.367 ( -17.376 0.418 0.000) 17.381 9.793 ( 12.658 14.304 0.000) 19.101 10.043 ( -10.406 10.719 0.000) 14.940 10.768 ( 6.847 -9.041 0.000) 11.341 10.874 ( -2.944 -10.154 0.000) 10.572 12.223 ( 5.399 13.201 0.000) 14.262 12.355 ( -7.780 13.006 0.000) 15.156 13.198 ( 0.910 -9.059 0.000) 9.104 13.217 ( -0.427 -11.731 0.000) 11.739 ======================= Grid point 21 (13/96) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 0.000 13.041 0.000) 13.041 1.238 ( 0.000 18.153 0.000) 18.153 1.372 ( 0.000 -7.893 0.000) 7.893 1.577 ( 0.000 -15.583 0.000) 15.583 2.144 ( 0.000 -2.428 0.000) 2.428 2.158 ( 0.000 6.534 0.000) 6.534 2.179 ( 0.000 -5.764 0.000) 5.764 2.273 ( 0.000 -4.996 0.000) 4.996 2.563 ( 0.000 29.951 0.000) 29.951 3.023 ( 0.000 -15.102 0.000) 15.102 3.887 ( 0.000 7.551 0.000) 7.551 3.914 ( 0.000 -1.442 0.000) 1.442 3.922 ( 0.000 -2.644 0.000) 2.644 4.048 ( 0.000 -7.929 0.000) 7.929 4.329 ( 0.000 7.402 0.000) 7.402 4.363 ( 0.000 9.956 0.000) 9.956 4.500 ( 0.000 -9.584 0.000) 9.584 4.627 ( 0.000 -15.816 0.000) 15.816 5.046 ( 0.000 9.527 0.000) 9.527 5.167 ( 0.000 -1.422 0.000) 1.422 5.579 ( 0.000 3.686 0.000) 3.686 5.675 ( 0.000 -3.853 0.000) 3.853 6.058 ( 0.000 4.274 0.000) 4.274 6.073 ( 0.000 10.389 0.000) 10.389 6.130 ( 0.000 4.116 0.000) 4.116 6.263 ( 0.000 -3.507 0.000) 3.507 6.264 ( 0.000 -12.059 0.000) 12.059 6.346 ( 0.000 -11.033 0.000) 11.033 7.758 ( 0.000 1.217 0.000) 1.217 7.759 ( 0.000 8.534 0.000) 8.534 7.820 ( 0.000 -4.691 0.000) 4.691 7.841 ( 0.000 -0.405 0.000) 0.405 8.186 ( 0.000 7.223 0.000) 7.223 8.380 ( 0.000 -11.471 0.000) 11.471 8.540 ( 0.000 17.867 0.000) 17.867 8.771 ( 0.000 1.156 0.000) 1.156 8.792 ( 0.000 -1.195 0.000) 1.195 8.879 ( 0.000 -15.365 0.000) 15.365 9.673 ( 0.000 24.091 0.000) 24.091 9.867 ( 0.000 9.317 0.000) 9.317 9.983 ( 0.000 -1.907 0.000) 1.907 10.095 ( 0.000 -16.936 0.000) 16.936 10.343 ( 0.000 3.007 0.000) 3.007 10.458 ( 0.000 -8.377 0.000) 8.377 12.290 ( 0.000 20.794 0.000) 20.794 12.735 ( 0.000 -22.489 0.000) 22.489 13.271 ( 0.000 0.131 0.000) 0.131 13.271 ( 0.000 0.122 0.000) 0.122 ======================= Grid point 22 (14/96) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 4.330 16.019 0.000) 16.594 1.293 ( 10.654 13.365 0.000) 17.092 1.512 ( 10.970 -8.547 0.000) 13.906 1.584 ( 0.862 -13.750 0.000) 13.777 2.107 ( -0.740 4.508 0.000) 4.568 2.150 ( -0.706 8.211 0.000) 8.241 2.276 ( 6.082 -12.013 0.000) 13.465 2.301 ( 2.745 -6.908 0.000) 7.433 2.677 ( 10.959 25.167 0.000) 27.449 3.061 ( 4.133 -12.125 0.000) 12.810 3.832 ( -4.501 6.837 0.000) 8.185 3.884 ( -2.503 0.335 0.000) 2.525 3.934 ( 0.753 -4.828 0.000) 4.886 3.981 ( -5.274 -7.222 0.000) 8.943 4.397 ( 5.815 6.361 0.000) 8.618 4.416 ( 4.757 11.661 0.000) 12.594 4.552 ( 4.502 -8.732 0.000) 9.825 4.694 ( 5.346 -15.666 0.000) 16.553 4.962 ( -9.009 5.862 0.000) 10.748 5.025 ( -12.321 -0.485 0.000) 12.330 5.493 ( -1.417 13.417 0.000) 13.492 5.810 ( 6.182 -17.489 0.000) 18.549 6.058 ( 0.535 4.630 0.000) 4.661 6.092 ( -4.567 2.195 0.000) 5.067 6.202 ( 13.520 9.905 0.000) 16.760 6.348 ( 9.284 2.914 0.000) 9.731 6.421 ( 12.259 -10.615 0.000) 16.216 6.498 ( 9.992 -10.321 0.000) 14.365 7.567 ( -14.494 7.928 0.000) 16.521 7.688 ( -4.590 3.726 0.000) 5.912 7.708 ( -11.586 -4.856 0.000) 12.563 7.789 ( -2.911 -6.563 0.000) 7.180 8.137 ( -0.907 11.037 0.000) 11.074 8.392 ( 1.304 -13.147 0.000) 13.211 8.513 ( -2.552 16.142 0.000) 16.342 8.803 ( 3.354 6.041 0.000) 6.910 8.817 ( -5.645 -13.709 0.000) 14.826 8.900 ( 4.446 -3.756 0.000) 5.820 9.735 ( -11.093 10.453 0.000) 15.242 9.747 ( 6.700 23.707 0.000) 24.636 9.901 ( -8.431 -5.370 0.000) 9.995 10.170 ( 6.449 -17.404 0.000) 18.561 10.370 ( 2.251 6.611 0.000) 6.984 10.539 ( 5.727 -10.051 0.000) 11.568 12.341 ( 4.477 20.766 0.000) 21.243 12.777 ( 3.568 -21.608 0.000) 21.901 13.121 ( -12.107 4.775 0.000) 13.015 13.198 ( -6.408 -3.079 0.000) 7.109 ======================= Grid point 23 (15/96) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 7.083 11.350 0.000) 13.379 1.532 ( 9.878 11.217 0.000) 14.947 1.623 ( 2.844 -9.752 0.000) 10.158 1.716 ( 5.958 -7.148 0.000) 9.306 2.117 ( 1.248 11.370 0.000) 11.438 2.133 ( -0.543 12.403 0.000) 12.415 2.394 ( 5.644 -12.961 0.000) 14.137 2.406 ( 5.699 -16.615 0.000) 17.565 3.014 ( 19.709 15.676 0.000) 25.183 3.226 ( 11.619 -4.685 0.000) 12.528 3.729 ( -4.583 5.912 0.000) 7.480 3.827 ( -2.149 3.834 0.000) 4.395 3.863 ( -5.412 -6.774 0.000) 8.670 3.953 ( 1.336 -8.465 0.000) 8.570 4.519 ( 0.515 5.296 0.000) 5.321 4.541 ( 6.271 11.449 0.000) 13.054 4.620 ( -8.613 -2.397 0.000) 8.940 4.694 ( -5.030 -0.424 0.000) 5.048 4.724 ( -11.473 -1.098 0.000) 11.526 4.799 ( 3.390 -14.195 0.000) 14.594 5.535 ( 4.354 17.581 0.000) 18.112 5.922 ( 4.683 -20.267 0.000) 20.801 5.972 ( -6.550 8.351 0.000) 10.613 6.091 ( 1.368 -2.421 0.000) 2.781 6.541 ( 15.787 7.619 0.000) 17.529 6.559 ( 9.371 3.319 0.000) 9.941 6.688 ( 11.150 -6.645 0.000) 12.980 6.698 ( 7.979 -9.705 0.000) 12.564 7.301 ( -7.773 7.788 0.000) 11.003 7.465 ( -8.726 -7.565 0.000) 11.549 7.615 ( -2.759 5.191 0.000) 5.879 7.722 ( -3.232 -5.956 0.000) 6.776 8.202 ( 6.745 11.844 0.000) 13.630 8.443 ( -3.360 11.078 0.000) 11.576 8.461 ( 5.346 -12.981 0.000) 14.039 8.652 ( -8.989 -9.217 0.000) 12.875 8.839 ( -0.048 5.998 0.000) 5.998 8.929 ( -0.954 -2.787 0.000) 2.946 9.440 ( -15.864 10.807 0.000) 19.195 9.638 ( -15.573 -7.873 0.000) 17.450 9.930 ( 9.696 21.674 0.000) 23.744 10.334 ( 8.242 -17.721 0.000) 19.544 10.391 ( -1.247 10.798 0.000) 10.870 10.630 ( 1.882 -12.802 0.000) 12.940 12.455 ( 5.603 20.366 0.000) 21.123 12.848 ( -11.660 11.798 0.000) 16.588 12.864 ( 4.001 -19.477 0.000) 19.884 13.055 ( -5.853 -8.834 0.000) 10.597 ======================= Grid point 24 (16/96) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 6.668 6.803 0.000) 9.526 1.648 ( 0.262 5.790 0.000) 5.796 1.694 ( 3.355 -5.586 0.000) 6.516 1.749 ( -1.556 -3.511 0.000) 3.840 2.138 ( 0.742 16.339 0.000) 16.355 2.142 ( 0.680 15.879 0.000) 15.893 2.496 ( 2.874 -17.919 0.000) 18.148 2.498 ( 2.508 -18.364 0.000) 18.535 3.440 ( 17.347 7.685 0.000) 18.973 3.521 ( 14.108 -0.511 0.000) 14.117 3.642 ( -4.305 5.106 0.000) 6.678 3.743 ( -6.811 -4.365 0.000) 8.090 3.843 ( 6.091 7.587 0.000) 9.729 4.025 ( 6.787 -9.581 0.000) 11.741 4.168 ( -21.299 7.134 0.000) 22.462 4.286 ( -16.826 -4.461 0.000) 17.408 4.660 ( 4.558 6.729 0.000) 8.127 4.715 ( 0.084 0.518 0.000) 0.525 4.750 ( 4.675 -2.903 0.000) 5.503 4.820 ( -1.343 -9.560 0.000) 9.654 5.654 ( 6.784 16.886 0.000) 18.198 5.815 ( -7.911 14.259 0.000) 16.306 6.012 ( 3.939 -17.484 0.000) 17.922 6.084 ( -2.272 -10.880 0.000) 11.115 6.730 ( 6.598 2.780 0.000) 7.160 6.786 ( 5.746 2.697 0.000) 6.347 6.822 ( 3.257 -6.209 0.000) 7.012 6.824 ( 0.942 -1.518 0.000) 1.786 7.321 ( 9.384 2.897 0.000) 9.821 7.394 ( 2.813 -3.771 0.000) 4.705 7.507 ( -7.727 4.935 0.000) 9.168 7.597 ( -10.234 -4.374 0.000) 11.129 8.363 ( 5.522 9.869 0.000) 11.309 8.402 ( -0.548 7.303 0.000) 7.323 8.535 ( 0.055 -5.219 0.000) 5.219 8.564 ( 1.433 -9.098 0.000) 9.210 8.852 ( 4.306 6.336 0.000) 7.660 8.974 ( 8.657 -5.358 0.000) 10.181 9.093 ( -15.879 8.827 0.000) 18.168 9.277 ( -17.352 -8.265 0.000) 19.220 10.133 ( 9.104 18.530 0.000) 20.646 10.304 ( -6.583 14.728 0.000) 16.132 10.496 ( 6.698 -16.946 0.000) 18.222 10.609 ( -3.579 -15.173 0.000) 15.590 12.562 ( 4.452 19.073 0.000) 19.585 12.663 ( -5.943 16.493 0.000) 17.531 12.930 ( 2.183 -16.873 0.000) 17.014 12.971 ( -2.325 -13.658 0.000) 13.854 ======================= Grid point 49 (17/96) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 0.000 0.000 21.340) 21.340 0.464 ( 0.000 0.000 21.632) 21.632 0.865 ( 0.000 0.000 39.533) 39.533 1.650 ( 0.000 0.000 5.795) 5.795 2.054 ( 0.000 0.000 14.025) 14.025 2.207 ( 0.000 0.000 15.123) 15.123 2.526 ( 0.000 0.000 9.768) 9.768 2.534 ( 0.000 0.000 -4.564) 4.564 2.647 ( 0.000 0.000 -0.605) 0.605 3.109 ( 0.000 0.000 -0.994) 0.994 4.020 ( 0.000 0.000 1.873) 1.873 4.035 ( 0.000 0.000 -6.338) 6.338 4.078 ( 0.000 0.000 -13.903) 13.903 4.083 ( 0.000 0.000 10.101) 10.101 4.083 ( 0.000 0.000 0.162) 0.162 4.377 ( 0.000 0.000 8.149) 8.149 4.440 ( 0.000 0.000 2.997) 2.997 4.744 ( 0.000 0.000 -1.885) 1.885 5.093 ( 0.000 0.000 6.372) 6.372 5.108 ( 0.000 0.000 -11.995) 11.995 5.538 ( 0.000 0.000 -6.310) 6.310 5.634 ( 0.000 0.000 12.119) 12.119 5.849 ( 0.000 0.000 -1.399) 1.399 5.929 ( 0.000 0.000 -1.896) 1.896 6.372 ( 0.000 0.000 -4.703) 4.703 6.747 ( 0.000 0.000 8.385) 8.385 6.751 ( 0.000 0.000 -1.500) 1.500 6.842 ( 0.000 0.000 3.485) 3.485 7.305 ( 0.000 0.000 1.959) 1.959 7.455 ( 0.000 0.000 -3.681) 3.681 7.655 ( 0.000 0.000 1.834) 1.834 7.901 ( 0.000 0.000 4.161) 4.161 8.006 ( 0.000 0.000 -5.515) 5.515 8.069 ( 0.000 0.000 -19.411) 19.411 8.147 ( 0.000 0.000 10.068) 10.068 8.848 ( 0.000 0.000 -10.824) 10.824 8.864 ( 0.000 0.000 0.322) 0.322 9.082 ( 0.000 0.000 15.820) 15.820 9.193 ( 0.000 0.000 2.048) 2.048 9.587 ( 0.000 0.000 0.714) 0.714 9.801 ( 0.000 0.000 -11.866) 11.866 9.914 ( 0.000 0.000 -14.201) 14.201 10.284 ( 0.000 0.000 -1.112) 1.112 10.926 ( 0.000 0.000 4.059) 4.059 11.855 ( 0.000 0.000 8.512) 8.512 12.935 ( 0.000 0.000 2.110) 2.110 13.285 ( 0.000 0.000 2.198) 2.198 13.487 ( 0.000 0.000 -3.203) 3.203 ======================= Grid point 50 (18/96) ======================= q-point: ( 0.14 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.300 ( 19.384 0.000 4.464) 19.891 0.666 ( 15.483 0.000 13.955) 20.844 1.396 ( 29.526 0.000 28.571) 41.087 1.738 ( 6.597 0.000 0.946) 6.665 2.052 ( 2.158 0.000 12.480) 12.665 2.225 ( -16.663 0.000 -1.180) 16.705 2.252 ( 2.756 0.000 16.859) 17.083 2.719 ( 14.090 0.000 3.053) 14.417 2.882 ( 9.369 0.000 -3.542) 10.016 3.109 ( -0.112 0.000 -0.468) 0.481 3.647 ( -11.097 0.000 2.402) 11.354 4.000 ( 0.749 0.000 -8.961) 8.992 4.057 ( -4.009 0.000 6.721) 7.826 4.110 ( 2.682 0.000 6.682) 7.201 4.203 ( 8.233 0.000 -6.770) 10.660 4.432 ( -4.880 0.000 -1.725) 5.176 4.446 ( 0.759 0.000 1.703) 1.864 4.687 ( -5.839 0.000 -1.036) 5.930 5.055 ( -3.719 0.000 5.918) 6.990 5.187 ( -3.429 0.000 -8.342) 9.020 5.531 ( -6.506 0.000 7.130) 9.652 5.650 ( 16.356 0.000 -12.017) 20.296 5.838 ( -1.877 0.000 -2.415) 3.059 6.166 ( 16.631 0.000 3.612) 17.019 6.330 ( -4.971 0.000 -3.946) 6.346 6.509 ( -7.816 0.000 2.105) 8.095 6.882 ( 5.094 0.000 2.850) 5.837 7.035 ( 11.890 0.000 4.008) 12.547 7.399 ( 3.130 0.000 0.341) 3.149 7.496 ( -9.193 0.000 -0.084) 9.193 7.601 ( 6.436 0.000 -0.419) 6.449 7.832 ( -1.196 0.000 -0.625) 1.350 7.968 ( -2.097 0.000 -3.933) 4.457 8.065 ( -1.125 0.000 -16.177) 16.216 8.180 ( 2.645 0.000 8.102) 8.523 8.784 ( -6.047 0.000 -12.913) 14.259 8.902 ( 1.882 0.000 1.102) 2.181 9.029 ( -3.012 0.000 5.707) 6.453 9.239 ( 3.731 0.000 8.138) 8.953 9.302 ( -17.858 0.000 -3.061) 18.118 9.799 ( -6.062 0.000 -4.031) 7.280 10.140 ( 16.500 0.000 -12.624) 20.775 10.232 ( -4.793 0.000 -0.853) 4.868 11.006 ( 4.814 0.000 3.084) 5.717 11.932 ( 5.167 0.000 7.082) 8.767 12.597 ( -17.170 0.000 15.148) 22.897 13.300 ( 0.777 0.000 1.206) 1.435 13.500 ( 0.158 0.000 -2.324) 2.329 ======================= Grid point 51 (19/96) ======================= q-point: ( 0.29 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 24.193 0.000 -3.268) 24.412 1.014 ( 16.082 0.000 7.605) 17.790 1.727 ( -1.864 0.000 8.065) 8.278 1.891 ( -14.530 0.000 0.932) 14.560 1.899 ( 9.574 0.000 0.239) 9.577 2.264 ( -1.292 0.000 11.562) 11.634 2.355 ( 26.458 0.000 17.696) 31.831 2.996 ( 2.393 0.000 -3.829) 4.515 3.086 ( 20.426 0.000 6.758) 21.515 3.095 ( -1.384 0.000 -0.371) 1.433 3.565 ( -0.117 0.000 -1.979) 1.982 3.955 ( -5.100 0.000 11.298) 12.396 4.070 ( 4.551 0.000 -8.057) 9.253 4.211 ( 6.947 0.000 3.362) 7.718 4.223 ( -14.021 0.000 -1.387) 14.089 4.332 ( 1.279 0.000 1.342) 1.854 4.476 ( -13.825 0.000 0.331) 13.829 4.558 ( 12.650 0.000 -3.871) 13.229 4.933 ( -7.623 0.000 4.735) 8.974 5.101 ( -1.422 0.000 -3.253) 3.551 5.398 ( -5.415 0.000 -1.309) 5.571 5.703 ( -11.999 0.000 -5.011) 13.003 6.084 ( 21.007 0.000 -9.735) 23.153 6.223 ( -1.941 0.000 0.308) 1.966 6.417 ( -3.082 0.000 -1.759) 3.548 6.519 ( 15.073 0.000 5.672) 16.105 7.017 ( 7.279 0.000 -0.260) 7.283 7.193 ( -15.144 0.000 0.597) 15.156 7.244 ( 6.760 0.000 4.044) 7.878 7.319 ( -4.803 0.000 6.066) 7.737 7.840 ( 2.203 0.000 -8.740) 9.013 7.948 ( 0.304 0.000 0.385) 0.491 7.967 ( 17.817 0.000 -3.289) 18.118 8.035 ( -0.902 0.000 -8.176) 8.226 8.255 ( 5.443 0.000 7.007) 8.872 8.570 ( -12.909 0.000 -15.318) 20.033 8.874 ( -3.153 0.000 4.257) 5.297 8.953 ( -13.411 0.000 1.715) 13.520 8.989 ( -2.444 0.000 -5.035) 5.597 9.375 ( 9.397 0.000 8.095) 12.403 9.563 ( -15.827 0.000 -2.339) 15.999 10.086 ( -8.783 0.000 -0.027) 8.783 10.491 ( 15.900 0.000 -6.951) 17.353 11.064 ( 0.013 0.000 2.909) 2.909 12.028 ( 3.944 0.000 7.030) 8.061 12.345 ( -7.927 0.000 8.428) 11.570 13.329 ( 2.132 0.000 1.231) 2.462 13.490 ( -1.106 0.000 -1.653) 1.989 ======================= Grid point 52 (20/96) ======================= q-point: ( 0.43 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 17.511 0.000 1.368) 17.564 1.329 ( 13.626 0.000 4.683) 14.408 1.575 ( -10.910 0.000 4.358) 11.748 1.605 ( -12.779 0.000 2.849) 13.093 2.060 ( 6.372 0.000 0.275) 6.378 2.184 ( -5.220 0.000 5.657) 7.698 2.987 ( 29.354 0.000 10.234) 31.087 3.027 ( 1.162 0.000 -2.961) 3.181 3.058 ( -1.765 0.000 -1.652) 2.418 3.471 ( -9.216 0.000 3.806) 9.971 3.549 ( 16.366 0.000 4.756) 17.043 3.839 ( -8.351 0.000 7.346) 11.122 3.945 ( -4.157 0.000 10.039) 10.866 4.134 ( -16.827 0.000 4.694) 17.469 4.164 ( 4.401 0.000 -4.868) 6.562 4.253 ( -3.467 0.000 -1.464) 3.764 4.456 ( 11.315 0.000 4.150) 12.052 4.699 ( -9.873 0.000 4.716) 10.941 4.949 ( 18.081 0.000 -5.424) 18.877 5.155 ( 5.544 0.000 -6.018) 8.182 5.284 ( -5.796 0.000 -6.186) 8.477 5.360 ( -18.896 0.000 -5.728) 19.745 6.253 ( 3.555 0.000 -0.201) 3.561 6.340 ( -4.154 0.000 -1.714) 4.493 6.453 ( 13.029 0.000 -3.787) 13.569 6.664 ( -5.368 0.000 4.443) 6.968 7.078 ( 8.335 0.000 0.522) 8.352 7.175 ( 7.135 0.000 -2.348) 7.512 7.252 ( -3.756 0.000 4.666) 5.990 7.289 ( -2.500 0.000 -0.042) 2.501 7.832 ( 0.705 0.000 -9.052) 9.080 7.982 ( 2.637 0.000 3.659) 4.510 7.990 ( -13.132 0.000 -9.250) 16.063 8.026 ( -0.874 0.000 2.881) 3.010 8.499 ( 7.208 0.000 -0.518) 7.227 8.584 ( 18.279 0.000 -5.687) 19.143 8.732 ( -3.888 0.000 4.656) 6.066 8.839 ( 0.744 0.000 -1.101) 1.329 8.905 ( -4.612 0.000 -4.001) 6.106 9.145 ( -22.950 0.000 -1.699) 23.013 9.613 ( 12.215 0.000 4.093) 12.883 9.868 ( -11.464 0.000 1.511) 11.563 10.793 ( 12.151 0.000 -2.540) 12.414 10.995 ( -6.554 0.000 0.963) 6.624 12.112 ( 4.213 0.000 5.614) 7.019 12.212 ( -5.245 0.000 5.083) 7.304 13.388 ( 3.179 0.000 0.463) 3.213 13.451 ( -2.516 0.000 -0.770) 2.632 ======================= Grid point 56 (21/96) ======================= q-point: ( 0.00 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 0.000 13.634 13.045) 18.870 0.723 ( 0.000 16.089 17.038) 23.434 1.216 ( 0.000 31.829 24.233) 40.004 1.624 ( 0.000 -1.875 4.311) 4.701 2.054 ( 0.000 1.477 11.478) 11.573 2.162 ( 0.000 -4.509 15.265) 15.917 2.391 ( 0.000 -9.943 -2.329) 10.212 2.554 ( 0.000 -0.637 7.698) 7.725 2.641 ( 0.000 -4.383 4.037) 5.959 3.143 ( 0.000 2.817 -0.098) 2.819 3.700 ( 0.000 -12.918 5.756) 14.142 3.941 ( 0.000 -6.323 -8.934) 10.945 4.046 ( 0.000 0.059 -2.399) 2.400 4.112 ( 0.000 2.180 1.668) 2.745 4.131 ( 0.000 4.404 -2.689) 5.160 4.414 ( 0.000 -2.833 3.244) 4.307 4.558 ( 0.000 8.180 -2.342) 8.508 4.793 ( 0.000 2.545 -0.541) 2.601 5.046 ( 0.000 -2.957 2.347) 3.775 5.227 ( 0.000 2.384 -8.856) 9.172 5.562 ( 0.000 -4.917 10.093) 11.226 5.571 ( 0.000 3.413 -1.811) 3.864 5.894 ( 0.000 2.951 7.041) 7.635 5.920 ( 0.000 -1.117 -4.265) 4.409 6.341 ( 0.000 -1.213 -2.973) 3.211 6.571 ( 0.000 -6.876 5.635) 8.890 6.684 ( 0.000 -13.658 6.132) 14.971 6.713 ( 0.000 -4.814 -1.388) 5.010 7.285 ( 0.000 1.732 -0.673) 1.859 7.695 ( 0.000 8.239 -6.281) 10.360 7.746 ( 0.000 7.773 -3.682) 8.601 7.905 ( 0.000 0.681 6.459) 6.495 8.018 ( 0.000 -0.869 -12.220) 12.250 8.072 ( 0.000 2.774 2.629) 3.822 8.348 ( 0.000 18.062 -0.777) 18.078 8.839 ( 0.000 -2.295 -0.802) 2.431 8.865 ( 0.000 2.530 -11.049) 11.335 8.998 ( 0.000 -7.396 15.778) 17.425 9.239 ( 0.000 3.174 3.017) 4.379 9.582 ( 0.000 0.659 1.003) 1.200 9.860 ( 0.000 3.485 -6.469) 7.349 10.003 ( 0.000 6.760 -20.147) 21.251 10.283 ( 0.000 -0.045 -1.608) 1.609 10.862 ( 0.000 -6.398 3.333) 7.214 11.922 ( 0.000 4.510 7.635) 8.868 13.085 ( 0.000 8.389 -6.876) 10.847 13.278 ( 0.000 -1.120 1.132) 1.592 13.398 ( 0.000 -8.290 -2.080) 8.547 ======================= Grid point 57 (22/96) ======================= q-point: ( 0.14 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 8.120 16.670 3.167) 18.811 0.917 ( 11.763 17.613 12.327) 24.506 1.572 ( 22.214 16.607 19.950) 34.165 1.716 ( 6.400 -1.417 0.608) 6.583 2.061 ( 2.582 1.252 8.580) 9.047 2.181 ( -6.945 -4.408 9.597) 12.640 2.218 ( -3.033 -2.930 9.590) 10.477 2.620 ( 11.153 -6.430 5.077) 13.839 2.864 ( 10.495 -4.949 2.517) 11.873 3.132 ( -1.052 2.043 -0.157) 2.304 3.616 ( -3.590 -1.654 -0.859) 4.045 3.959 ( -3.114 -2.560 -6.760) 7.871 4.030 ( 1.230 -4.120 4.335) 6.106 4.105 ( 3.182 0.198 3.537) 4.762 4.203 ( 5.060 3.783 -4.493) 7.753 4.416 ( 0.799 -2.822 2.148) 3.635 4.512 ( -5.603 6.831 -3.825) 9.627 4.753 ( -4.367 4.758 -0.802) 6.508 4.999 ( -3.749 -4.653 3.128) 6.745 5.217 ( -4.893 1.821 -4.662) 6.999 5.430 ( -3.078 -9.672 8.542) 13.266 5.676 ( 6.134 5.049 -10.338) 13.038 5.942 ( 4.057 6.218 2.389) 7.799 6.089 ( 8.955 -5.464 1.347) 10.576 6.314 ( 0.325 -1.494 -3.085) 3.444 6.496 ( -2.207 -1.550 1.424) 3.049 6.774 ( 6.891 -10.449 2.898) 12.848 6.925 ( 13.634 -7.265 3.514) 15.843 7.340 ( 3.413 -2.717 0.316) 4.374 7.567 ( -12.474 2.485 -2.353) 12.934 7.610 ( -5.388 6.063 4.316) 9.188 7.919 ( -0.193 6.230 -1.923) 6.523 7.985 ( -1.111 -4.479 -11.464) 12.358 8.168 ( 4.162 1.538 4.453) 6.286 8.278 ( -1.577 17.573 -3.295) 17.949 8.812 ( -5.363 3.241 -12.502) 13.985 8.905 ( 0.912 -0.954 3.790) 4.013 9.002 ( 2.221 -2.522 4.732) 5.804 9.233 ( -0.289 -0.083 5.821) 5.829 9.347 ( -15.053 4.992 -2.358) 16.033 9.833 ( -5.287 2.927 -4.422) 7.488 10.182 ( 8.585 2.575 -10.230) 13.601 10.255 ( 1.879 2.489 -4.333) 5.339 10.952 ( 6.086 -6.140 1.652) 8.802 11.967 ( 3.536 3.307 7.840) 9.214 12.768 ( -20.090 12.521 4.732) 24.140 13.284 ( 0.239 -1.890 0.611) 2.000 13.414 ( 0.436 -8.166 -1.548) 8.322 ======================= Grid point 58 (23/96) ======================= q-point: ( 0.29 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 21.126 6.351 -3.164) 22.286 1.188 ( 12.835 13.363 8.732) 20.483 1.750 ( -3.470 1.890 4.458) 5.957 1.881 ( -12.138 -0.864 2.457) 12.415 1.890 ( 8.227 -0.312 0.300) 8.239 2.213 ( -1.968 -4.567 11.555) 12.580 2.450 ( 27.079 9.313 15.022) 32.337 2.892 ( 10.271 -8.869 0.111) 13.570 3.061 ( 5.894 -5.260 7.001) 10.556 3.127 ( 6.435 4.178 -0.994) 7.736 3.591 ( 0.121 2.322 -0.589) 2.399 3.889 ( -3.947 -5.307 2.910) 7.226 4.020 ( -0.286 -2.730 0.467) 2.785 4.237 ( 3.321 -1.591 2.233) 4.306 4.288 ( 0.327 4.785 2.624) 5.467 4.302 ( -8.724 3.436 -1.499) 9.495 4.520 ( 3.586 0.058 -3.391) 4.935 4.603 ( -2.909 5.507 -1.074) 6.320 4.901 ( -5.926 -3.049 3.855) 7.699 5.125 ( -1.082 2.664 -1.531) 3.257 5.355 ( -4.120 -6.173 0.841) 7.469 5.660 ( -10.743 -1.053 -7.353) 13.061 6.112 ( 6.561 -1.496 0.161) 6.731 6.211 ( 12.987 4.117 -5.636) 14.744 6.403 ( 0.396 -2.072 -3.215) 3.846 6.576 ( 10.848 2.918 4.487) 12.096 6.917 ( 5.694 -8.375 -0.919) 10.169 7.136 ( -0.700 -4.965 3.220) 5.959 7.256 ( -2.240 0.530 4.113) 4.713 7.380 ( -3.996 3.304 2.998) 5.989 7.608 ( 0.921 -6.701 0.253) 6.769 7.919 ( 1.009 -0.332 -4.459) 4.584 8.000 ( 3.591 -2.623 -5.884) 7.376 8.238 ( 2.737 1.165 5.394) 6.160 8.348 ( 7.636 16.316 -4.537) 18.577 8.614 ( -12.365 5.021 -13.678) 19.110 8.861 ( -2.987 -2.265 4.069) 5.532 8.954 ( -9.645 -0.335 1.248) 9.732 9.051 ( -6.215 6.261 -3.872) 9.634 9.378 ( 10.421 1.808 6.373) 12.348 9.615 ( -14.712 4.188 -3.278) 15.644 10.105 ( -7.569 2.203 -0.753) 7.919 10.530 ( 14.583 2.523 -7.230) 16.472 11.037 ( 1.062 -4.039 0.911) 4.274 12.046 ( 3.777 2.610 7.291) 8.616 12.425 ( -11.820 7.751 6.463) 15.542 13.299 ( 1.357 -3.084 1.109) 3.547 13.414 ( -0.473 -7.421 -1.402) 7.567 ======================= Grid point 59 (24/96) ======================= q-point: ( 0.43 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 17.218 3.048 0.007) 17.485 1.439 ( 10.637 8.736 5.867) 14.963 1.593 ( -11.592 2.289 3.351) 12.282 1.645 ( -9.414 3.690 3.396) 10.666 2.029 ( 5.508 -2.750 0.741) 6.200 2.137 ( -4.652 -4.111 5.612) 8.369 3.000 ( 4.607 -3.514 0.137) 5.796 3.027 ( 7.573 -0.825 4.059) 8.631 3.090 ( 16.693 5.819 2.536) 17.860 3.474 ( 14.700 -2.551 3.688) 15.369 3.531 ( -7.358 2.743 3.151) 8.461 3.770 ( -8.896 -6.016 2.043) 10.932 3.959 ( -5.395 0.541 10.384) 11.715 4.010 ( -6.750 -1.575 3.999) 8.002 4.258 ( -0.552 0.500 -0.523) 0.910 4.332 ( -7.990 5.052 0.622) 9.474 4.483 ( 11.585 3.552 4.544) 12.941 4.718 ( -9.427 1.838 4.677) 10.683 4.899 ( 16.540 -4.185 -5.333) 17.876 5.185 ( 4.449 2.952 -5.948) 7.993 5.228 ( -8.894 -6.613 -3.723) 11.691 5.370 ( -12.463 2.821 -5.429) 13.884 6.223 ( 5.446 -1.805 0.194) 5.741 6.335 ( -4.414 -1.121 -2.327) 5.114 6.535 ( 11.541 6.156 -4.297) 13.768 6.703 ( -3.231 2.987 3.230) 5.458 7.006 ( 6.131 -6.720 -0.007) 9.096 7.098 ( 1.452 -3.925 -1.325) 4.390 7.308 ( -1.034 2.248 -0.519) 2.528 7.333 ( 1.721 3.795 5.148) 6.623 7.626 ( 3.704 -11.477 -1.760) 12.188 7.824 ( -11.251 -7.713 -2.641) 13.894 8.104 ( 4.287 5.690 -0.143) 7.126 8.195 ( -5.102 7.278 0.915) 8.935 8.514 ( 5.484 1.550 -3.700) 6.795 8.600 ( 9.924 2.665 -5.327) 11.574 8.734 ( -4.667 -0.440 1.801) 5.021 8.857 ( -3.626 -0.043 -3.064) 4.747 8.961 ( 2.527 6.634 -0.607) 7.125 9.245 ( -18.715 7.339 -2.548) 20.264 9.636 ( 12.888 3.169 2.807) 13.566 9.900 ( -11.489 3.476 0.588) 12.018 10.806 ( 11.006 0.094 -3.132) 11.444 10.986 ( -5.707 -2.052 -0.231) 6.069 12.130 ( 4.312 2.782 5.674) 7.650 12.240 ( -6.371 3.737 5.046) 8.945 13.341 ( 2.458 -4.630 0.511) 5.267 13.390 ( -1.827 -6.061 -0.686) 6.368 ======================= Grid point 63 (25/96) ======================= q-point: ( 0.00 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.000 14.913 4.786) 15.663 1.052 ( 0.000 16.743 13.966) 21.803 1.529 ( 0.000 -4.044 3.601) 5.415 1.941 ( 0.000 31.364 9.083) 32.653 2.009 ( 0.000 -11.458 13.797) 17.934 2.116 ( 0.000 6.039 7.557) 9.674 2.190 ( 0.000 -8.146 -2.706) 8.584 2.486 ( 0.000 -8.252 11.666) 14.290 2.521 ( 0.000 -2.521 10.954) 11.241 3.177 ( 0.000 -1.072 0.986) 1.456 3.610 ( 0.000 1.147 -7.662) 7.747 3.806 ( 0.000 -6.161 -12.161) 13.633 4.027 ( 0.000 -1.417 2.776) 3.117 4.196 ( 0.000 5.995 0.062) 5.995 4.251 ( 0.000 7.711 2.947) 8.255 4.314 ( 0.000 -7.339 3.179) 7.998 4.727 ( 0.000 -8.362 3.217) 8.959 4.727 ( 0.000 8.461 -5.351) 10.011 5.073 ( 0.000 4.455 -3.477) 5.651 5.100 ( 0.000 -12.153 5.153) 13.200 5.526 ( 0.000 1.191 2.208) 2.508 5.676 ( 0.000 6.441 3.686) 7.421 5.870 ( 0.000 -3.894 -10.548) 11.244 5.981 ( 0.000 6.027 7.935) 9.965 6.335 ( 0.000 -0.412 -0.124) 0.430 6.402 ( 0.000 -11.029 10.535) 15.252 6.447 ( 0.000 -7.232 -0.047) 7.232 6.587 ( 0.000 -7.983 1.804) 8.184 7.368 ( 0.000 4.864 -8.321) 9.638 7.712 ( 0.000 -7.332 -14.367) 16.130 7.833 ( 0.000 6.611 -0.473) 6.628 7.947 ( 0.000 3.701 11.144) 11.742 8.144 ( 0.000 5.024 5.053) 7.126 8.202 ( 0.000 15.531 0.061) 15.531 8.612 ( 0.000 5.285 -8.464) 9.979 8.786 ( 0.000 -2.864 -2.431) 3.756 8.807 ( 0.000 -11.318 14.054) 18.045 8.993 ( 0.000 5.931 -8.737) 10.560 9.294 ( 0.000 7.158 4.671) 8.547 9.672 ( 0.000 8.292 0.377) 8.300 9.923 ( 0.000 2.496 -4.495) 5.141 10.096 ( 0.000 1.011 -17.076) 17.106 10.284 ( 0.000 0.207 -2.663) 2.671 10.676 ( 0.000 -11.741 1.107) 11.793 12.055 ( 0.000 10.094 8.218) 13.017 13.113 ( 0.000 -16.068 -2.740) 16.299 13.198 ( 0.000 3.567 -4.851) 6.021 13.294 ( 0.000 -1.140 2.184) 2.463 ======================= Grid point 64 (26/96) ======================= q-point: ( 0.14 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 3.732 18.094 0.268) 18.477 1.237 ( 10.726 14.304 12.660) 21.907 1.619 ( 6.939 -5.545 0.491) 8.896 1.933 ( -2.942 -0.865 4.272) 5.259 2.032 ( -1.054 6.892 7.711) 10.396 2.137 ( -0.162 -2.926 8.685) 9.166 2.271 ( 14.201 15.784 10.724) 23.787 2.498 ( 5.633 -6.256 7.285) 11.133 2.683 ( 9.494 -10.803 10.311) 17.696 3.167 ( -0.252 0.104 -0.028) 0.274 3.625 ( 1.114 2.437 -5.663) 6.266 3.855 ( 2.305 -6.867 -9.607) 12.032 3.984 ( -2.793 -0.533 4.735) 5.523 4.168 ( -0.402 5.730 2.743) 6.365 4.308 ( 1.487 -0.045 3.148) 3.482 4.338 ( 5.395 1.415 1.254) 5.717 4.673 ( -5.389 7.736 -5.912) 11.129 4.755 ( 1.818 -5.759 1.687) 6.270 4.959 ( -9.240 1.490 -1.847) 9.540 5.142 ( 2.341 -12.117 4.639) 13.184 5.322 ( -9.233 3.970 3.652) 10.693 5.818 ( 2.183 7.651 -9.375) 12.296 5.960 ( 6.397 -3.575 -1.112) 7.412 6.075 ( 9.690 1.238 4.082) 10.588 6.246 ( -3.212 -3.624 -0.297) 4.852 6.430 ( 4.401 -3.312 4.894) 7.368 6.582 ( 9.489 -7.879 0.603) 12.349 6.769 ( 12.744 -8.365 5.351) 16.155 7.350 ( -2.227 2.923 -4.029) 5.453 7.602 ( -11.489 0.304 -2.402) 11.742 7.736 ( -2.450 3.455 -5.445) 6.899 7.875 ( -4.916 -1.265 4.170) 6.569 8.055 ( -7.069 4.065 1.609) 8.311 8.266 ( 2.744 10.800 4.972) 12.202 8.553 ( 0.140 8.573 -9.049) 12.466 8.780 ( -1.881 -10.382 10.811) 15.107 8.867 ( -0.689 -0.034 -7.447) 7.479 8.998 ( -0.146 -1.570 -2.890) 3.292 9.321 ( 4.232 13.413 2.751) 14.331 9.502 ( -12.026 9.857 -1.866) 15.661 9.884 ( -5.541 1.091 -4.918) 7.489 10.218 ( 4.986 1.123 -7.901) 9.410 10.291 ( 4.967 -0.100 -5.673) 7.541 10.762 ( 6.442 -12.107 -0.033) 13.714 12.093 ( 3.264 10.356 7.714) 13.319 12.979 ( -16.400 7.971 -0.927) 18.258 13.139 ( 1.712 -14.409 -2.087) 14.660 13.274 ( -2.153 -3.448 1.978) 4.521 ======================= Grid point 65 (27/96) ======================= q-point: ( 0.29 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 14.842 13.108 -3.183) 20.056 1.453 ( 9.346 12.023 10.191) 18.323 1.730 ( 1.881 -4.803 -0.378) 5.172 1.866 ( -4.029 -1.047 1.068) 4.297 1.963 ( -2.146 8.665 4.556) 10.022 2.125 ( -1.800 -2.646 10.523) 10.999 2.639 ( 13.908 -3.207 5.773) 15.396 2.728 ( 16.490 1.579 5.504) 17.455 2.882 ( 9.634 -8.816 9.203) 15.976 3.217 ( 6.672 3.701 -0.414) 7.641 3.645 ( 0.524 2.897 0.518) 2.989 3.816 ( -4.666 -2.227 -2.237) 5.633 3.967 ( 0.086 -2.418 5.146) 5.686 4.171 ( -0.129 -3.377 2.600) 4.264 4.370 ( 0.740 3.556 0.894) 3.741 4.458 ( -4.640 8.889 3.485) 10.615 4.531 ( 4.334 2.571 -4.063) 6.473 4.691 ( -9.561 2.559 -1.291) 9.982 4.813 ( -1.119 -5.618 2.645) 6.310 5.133 ( -2.535 -13.114 3.494) 13.806 5.246 ( 1.041 8.947 -0.242) 9.011 5.712 ( -10.185 5.198 -8.767) 14.409 6.079 ( 5.096 -0.830 -0.511) 5.189 6.246 ( 1.019 -12.747 -3.498) 13.258 6.351 ( 15.384 6.596 -4.271) 17.275 6.610 ( 10.650 1.426 5.402) 12.027 6.765 ( 6.829 -6.266 -1.432) 9.378 7.012 ( 7.275 -7.563 7.562) 12.934 7.232 ( -4.503 0.004 3.131) 5.484 7.439 ( -4.831 2.575 -2.663) 6.088 7.625 ( -6.545 3.696 3.176) 8.160 7.839 ( -1.355 -6.917 -1.214) 7.152 8.010 ( 5.831 4.713 -1.858) 7.724 8.307 ( 1.596 6.800 4.726) 8.433 8.554 ( -1.516 4.167 -10.344) 11.254 8.748 ( -7.459 5.148 -4.127) 9.959 8.765 ( 0.051 -6.467 4.483) 7.869 8.930 ( -4.587 -1.899 -0.687) 5.012 9.203 ( -12.306 8.086 -3.459) 15.125 9.534 ( 11.203 14.840 1.482) 18.653 9.669 ( -13.754 -0.248 -4.457) 14.461 10.190 ( -4.664 6.695 -1.855) 8.368 10.518 ( 11.591 -5.280 -6.175) 14.155 10.873 ( 2.787 -11.876 -0.941) 12.235 12.177 ( 4.325 11.292 6.137) 13.560 12.628 ( -14.448 11.725 3.098) 18.863 13.180 ( 1.695 -11.756 -1.334) 11.952 13.229 ( -1.443 -7.862 1.587) 8.149 ======================= Grid point 66 (28/96) ======================= q-point: ( 0.43 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 14.316 7.686 -0.706) 16.264 1.599 ( 1.537 5.348 5.715) 7.977 1.706 ( -4.210 7.921 1.991) 9.189 1.733 ( -4.231 4.514 2.174) 6.558 1.990 ( 3.124 1.207 2.611) 4.246 2.064 ( -3.529 -1.110 6.402) 7.394 2.829 ( 5.568 -13.164 1.587) 14.381 2.892 ( -0.054 -12.566 4.682) 13.410 3.267 ( 22.529 9.969 2.383) 24.752 3.458 ( 13.429 1.491 0.114) 13.512 3.614 ( -6.207 4.073 3.778) 8.330 3.686 ( -8.191 -1.439 -2.738) 8.755 3.954 ( -0.433 0.380 10.093) 10.110 4.074 ( -13.334 5.623 4.392) 15.123 4.211 ( 3.371 -4.337 2.717) 6.128 4.377 ( -11.356 -0.267 2.840) 11.709 4.587 ( 8.714 5.857 4.732) 11.517 4.748 ( -5.428 0.350 3.270) 6.347 4.815 ( 11.891 -3.507 -2.040) 12.564 5.037 ( -7.691 -10.497 -0.785) 13.037 5.319 ( 5.882 10.383 -4.079) 12.611 5.486 ( -9.748 8.934 -6.613) 14.784 6.174 ( 3.733 -4.453 -2.839) 6.468 6.235 ( -1.934 -10.018 -4.138) 11.010 6.658 ( 10.749 5.404 -3.537) 12.540 6.754 ( 0.960 2.550 2.869) 3.957 6.876 ( 5.502 -5.015 0.570) 7.467 7.023 ( -4.419 -4.044 3.203) 6.793 7.327 ( 8.376 -0.902 -0.725) 8.456 7.385 ( 3.841 1.902 3.985) 5.853 7.515 ( -3.622 0.529 2.109) 4.225 7.696 ( -12.856 -5.218 0.886) 13.903 8.201 ( 8.312 5.093 -0.345) 9.755 8.312 ( -2.194 5.656 2.859) 6.706 8.553 ( 4.224 1.525 -4.758) 6.543 8.687 ( 4.420 2.429 -2.048) 5.443 8.698 ( -7.223 -0.835 -0.952) 7.333 8.874 ( -7.880 2.727 -5.636) 10.064 9.048 ( 5.917 0.068 -0.281) 5.924 9.331 ( -16.408 -0.472 -3.554) 16.795 9.792 ( 12.059 13.104 0.076) 17.809 10.032 ( -9.940 10.143 -1.011) 14.237 10.733 ( 8.319 -8.460 -3.127) 12.270 10.863 ( -3.616 -10.626 -1.424) 11.315 12.272 ( 4.757 12.034 4.496) 13.699 12.397 ( -7.680 12.054 3.865) 14.806 13.203 ( 0.784 -9.589 0.212) 9.623 13.216 ( -0.325 -10.828 0.073) 10.833 ======================= Grid point 70 (29/96) ======================= q-point: ( 0.00 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.000 11.941 1.058) 11.988 1.331 ( 0.000 2.746 4.457) 5.235 1.457 ( 0.000 5.401 8.725) 10.262 1.731 ( 0.000 -15.206 11.281) 18.934 2.089 ( 0.000 -2.137 0.184) 2.145 2.093 ( 0.000 -1.317 0.851) 1.568 2.405 ( 0.000 0.751 14.584) 14.603 2.459 ( 0.000 -3.487 13.149) 13.603 2.610 ( 0.000 27.148 5.341) 27.668 3.031 ( 0.000 -14.362 1.388) 14.428 3.672 ( 0.000 3.696 -10.812) 11.426 3.726 ( 0.000 -2.211 -10.654) 10.881 4.023 ( 0.000 2.148 3.529) 4.131 4.140 ( 0.000 -8.783 2.795) 9.217 4.340 ( 0.000 8.120 1.225) 8.212 4.432 ( 0.000 7.936 2.864) 8.437 4.552 ( 0.000 -5.768 6.660) 8.810 4.721 ( 0.000 -11.987 5.414) 13.153 5.006 ( 0.000 6.410 -2.375) 6.836 5.115 ( 0.000 -1.833 -4.746) 5.088 5.573 ( 0.000 3.368 -0.173) 3.373 5.673 ( 0.000 -6.369 -1.235) 6.488 5.926 ( 0.000 10.309 -4.706) 11.333 6.084 ( 0.000 0.042 -0.062) 0.075 6.290 ( 0.000 -1.088 8.401) 8.471 6.296 ( 0.000 -3.039 3.442) 4.591 6.319 ( 0.000 -1.534 5.189) 5.411 6.412 ( 0.000 -8.843 5.770) 10.559 7.456 ( 0.000 4.391 -13.424) 14.124 7.564 ( 0.000 -6.641 -14.986) 16.391 7.959 ( 0.000 5.213 5.499) 7.577 8.009 ( 0.000 0.787 10.479) 10.509 8.299 ( 0.000 10.847 9.182) 14.212 8.510 ( 0.000 11.039 -2.039) 11.226 8.556 ( 0.000 -10.852 11.452) 15.777 8.640 ( 0.000 -0.819 -11.204) 11.234 8.753 ( 0.000 0.764 -2.627) 2.736 8.898 ( 0.000 -10.788 0.695) 10.810 9.637 ( 0.000 20.805 -3.350) 21.073 9.855 ( 0.000 8.510 -1.321) 8.612 9.929 ( 0.000 -3.943 -5.457) 6.732 10.008 ( 0.000 -9.139 -7.571) 11.868 10.306 ( 0.000 2.809 -3.446) 4.446 10.436 ( 0.000 -10.523 -2.064) 10.724 12.342 ( 0.000 18.089 4.658) 18.679 12.738 ( 0.000 -20.398 0.242) 20.400 13.248 ( 0.000 1.794 -1.824) 2.559 13.275 ( 0.000 -1.015 0.453) 1.111 ======================= Grid point 71 (30/96) ======================= q-point: ( 0.14 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 3.940 15.118 -1.100) 15.662 1.429 ( 6.763 -5.495 0.056) 8.714 1.536 ( 6.339 7.589 9.976) 14.047 1.752 ( 2.010 -10.856 8.471) 13.916 2.107 ( 2.335 1.198 4.183) 4.938 2.149 ( 3.402 -0.203 0.742) 3.488 2.401 ( -0.216 -0.244 12.793) 12.798 2.487 ( 2.242 -6.642 12.829) 14.619 2.723 ( 10.905 21.630 5.076) 24.749 3.067 ( 3.971 -11.327 1.026) 12.047 3.692 ( 1.155 3.489 -7.307) 8.179 3.751 ( 1.556 -3.271 -8.198) 8.962 4.000 ( -1.897 3.163 5.067) 6.268 4.127 ( -1.572 -8.460 5.271) 10.090 4.372 ( 3.544 9.901 -0.262) 10.520 4.491 ( 5.178 7.572 2.964) 9.641 4.589 ( 3.332 -7.043 4.917) 9.213 4.720 ( -0.359 -8.188 0.480) 8.210 4.951 ( -6.372 1.296 -0.189) 6.505 5.002 ( -9.515 -1.764 -1.790) 9.841 5.481 ( -2.533 11.105 -0.077) 11.390 5.737 ( 2.704 -13.257 -5.712) 14.687 6.015 ( 3.321 6.511 -3.976) 8.321 6.070 ( -0.792 0.147 -0.132) 0.817 6.262 ( 3.462 3.436 2.350) 5.414 6.403 ( 9.172 -8.740 -0.387) 12.675 6.447 ( 10.828 4.442 8.733) 14.603 6.597 ( 12.050 -8.667 8.025) 16.874 7.433 ( -2.495 5.058 -8.630) 10.309 7.542 ( -2.927 -5.395 -9.948) 11.689 7.778 ( -9.526 3.576 1.837) 10.340 7.860 ( -12.186 -3.294 7.378) 14.622 8.217 ( -4.411 12.816 5.885) 14.776 8.492 ( -3.685 -9.824 5.292) 11.751 8.540 ( 0.021 9.679 2.231) 9.933 8.693 ( 2.485 1.037 -5.525) 6.147 8.827 ( 1.844 -2.623 -3.217) 4.542 8.882 ( -0.056 -7.076 0.351) 7.085 9.662 ( -5.729 13.082 -5.406) 15.270 9.753 ( 0.699 18.009 -1.034) 18.052 9.840 ( -8.736 -5.485 -5.627) 11.750 10.109 ( 7.789 -13.513 -5.381) 16.499 10.342 ( 2.731 6.330 -2.625) 7.377 10.517 ( 5.813 -11.087 -2.106) 12.695 12.386 ( 3.892 18.254 4.071) 19.103 12.777 ( 3.375 -19.667 0.026) 19.954 13.118 ( -10.772 5.328 -0.212) 12.020 13.208 ( -5.867 -3.759 0.890) 7.024 ======================= Grid point 72 (31/96) ======================= q-point: ( 0.29 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 9.674 12.893 -2.164) 16.263 1.566 ( 5.886 -8.056 -1.213) 10.050 1.671 ( 5.134 6.862 8.159) 11.833 1.804 ( 1.781 -5.367 4.138) 7.008 2.149 ( 0.904 7.990 5.308) 9.635 2.206 ( 1.676 9.937 4.619) 11.085 2.422 ( 2.975 -9.891 6.091) 11.991 2.545 ( 2.673 -14.339 9.587) 17.455 3.044 ( 18.151 12.970 3.275) 22.548 3.224 ( 10.817 -4.135 0.622) 11.597 3.703 ( -0.111 2.801 -1.213) 3.055 3.761 ( -1.074 -3.217 -3.573) 4.926 3.966 ( -0.588 3.106 8.235) 8.821 4.073 ( -2.580 -6.337 7.312) 10.014 4.474 ( 1.924 7.328 -2.070) 7.854 4.584 ( -8.536 0.315 -3.729) 9.321 4.631 ( 6.197 6.759 4.215) 10.092 4.693 ( -1.090 -4.244 0.495) 4.410 4.718 ( -8.847 1.180 1.747) 9.095 4.870 ( -1.265 -11.800 5.493) 13.078 5.501 ( 3.320 15.486 -1.677) 15.927 5.779 ( 0.555 -5.487 -9.279) 10.794 5.979 ( -3.953 -4.618 -1.678) 6.306 6.046 ( -1.338 -4.449 -4.501) 6.468 6.482 ( 13.459 6.596 -2.988) 15.284 6.625 ( 10.456 -7.048 -2.093) 12.782 6.690 ( 10.734 6.043 9.144) 15.341 6.846 ( 9.913 -8.549 9.950) 16.442 7.306 ( -6.695 6.500 0.138) 9.332 7.431 ( -6.276 -4.196 -2.721) 8.025 7.669 ( -4.033 1.258 3.357) 5.396 7.716 ( -0.120 -4.183 0.486) 4.212 8.191 ( 3.279 12.461 -0.429) 12.893 8.431 ( -1.182 -5.594 -1.268) 5.856 8.518 ( -1.319 3.568 3.145) 4.936 8.660 ( -4.688 -5.497 1.543) 7.387 8.815 ( -1.055 3.401 -1.777) 3.980 8.884 ( -0.886 -2.931 -3.674) 4.783 9.383 ( -15.918 9.957 -5.295) 19.508 9.575 ( -15.404 -8.177 -5.771) 18.369 9.915 ( 9.748 20.669 -1.344) 22.892 10.298 ( 9.186 -16.123 -3.313) 18.850 10.371 ( -0.999 10.750 -1.947) 10.971 10.612 ( 2.116 -13.113 -1.796) 13.403 12.486 ( 4.976 18.440 2.820) 19.307 12.844 ( -2.717 -4.221 -0.242) 5.026 12.886 ( -4.231 -2.541 1.893) 5.286 13.073 ( -5.746 -8.958 1.564) 10.757 ======================= Grid point 73 (32/96) ======================= q-point: ( 0.43 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 9.298 7.505 0.211) 11.951 1.676 ( 2.817 -1.174 1.105) 3.246 1.712 ( -0.603 0.519 3.459) 3.549 1.782 ( -3.562 -2.723 2.336) 5.056 2.175 ( 1.990 15.083 4.126) 15.763 2.212 ( -0.991 15.598 5.580) 16.595 2.514 ( 4.470 -17.285 2.968) 18.098 2.572 ( -0.614 -18.091 5.342) 18.873 3.435 ( 16.853 5.863 -0.326) 17.847 3.487 ( 12.317 0.247 -1.022) 12.362 3.671 ( -4.252 1.696 1.135) 4.716 3.685 ( -6.592 0.234 -1.933) 6.874 3.992 ( 3.909 3.618 9.767) 11.125 4.093 ( 6.095 -5.785 5.777) 10.198 4.214 ( -15.880 6.627 4.170) 17.705 4.330 ( -14.473 -4.344 3.613) 15.537 4.696 ( 4.861 4.842 2.416) 7.274 4.746 ( 0.729 0.556 3.051) 3.186 4.764 ( 4.859 -1.711 1.273) 5.306 4.847 ( -2.404 -7.880 2.470) 8.601 5.594 ( 5.330 16.393 -4.151) 17.731 5.719 ( -5.712 13.294 -7.799) 16.437 5.952 ( 1.676 -16.520 -4.463) 17.194 6.005 ( -2.526 -12.130 -6.601) 14.039 6.741 ( 9.426 3.545 -0.315) 10.075 6.804 ( 6.303 -2.583 0.772) 6.856 6.834 ( 1.544 4.599 4.666) 6.731 6.932 ( -2.708 -4.936 6.388) 8.515 7.337 ( 10.238 2.371 0.776) 10.538 7.391 ( 4.697 -1.817 1.212) 5.180 7.558 ( -8.027 2.574 2.896) 8.913 7.612 ( -10.719 -3.193 2.332) 11.425 8.342 ( 8.007 8.836 -1.275) 11.992 8.438 ( -0.448 5.918 2.250) 6.347 8.521 ( 2.556 -4.753 -1.507) 5.603 8.588 ( -2.077 -6.372 2.053) 7.009 8.805 ( 2.774 6.416 -3.797) 7.955 8.926 ( 6.249 -3.338 -4.352) 8.315 9.042 ( -13.918 5.995 -4.529) 15.816 9.224 ( -16.608 -9.065 -4.949) 19.557 10.120 ( 9.113 18.197 -1.248) 20.390 10.289 ( -6.400 14.737 -1.458) 16.132 10.475 ( 7.207 -16.412 -1.970) 18.033 10.593 ( -3.614 -15.190 -1.506) 15.687 12.585 ( 4.336 17.844 2.083) 18.481 12.687 ( -5.938 15.683 2.081) 16.898 12.934 ( 2.472 -16.133 0.368) 16.325 12.984 ( -2.771 -13.362 1.157) 13.695 ======================= Grid point 98 (33/96) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 0.000 18.438) 18.438 0.883 ( 0.000 0.000 21.380) 21.380 1.541 ( 0.000 0.000 20.975) 20.975 1.846 ( 0.000 0.000 16.805) 16.805 2.411 ( 0.000 0.000 -6.845) 6.845 2.457 ( 0.000 0.000 23.589) 23.589 2.592 ( 0.000 0.000 20.261) 20.261 2.682 ( 0.000 0.000 4.966) 4.966 2.795 ( 0.000 0.000 15.311) 15.311 3.103 ( 0.000 0.000 0.639) 0.639 3.762 ( 0.000 0.000 -15.203) 15.203 3.840 ( 0.000 0.000 -11.834) 11.834 3.978 ( 0.000 0.000 -7.351) 7.351 4.023 ( 0.000 0.000 -2.736) 2.736 4.355 ( 0.000 0.000 14.898) 14.898 4.464 ( 0.000 0.000 -1.015) 1.015 4.622 ( 0.000 0.000 4.342) 4.342 4.707 ( 0.000 0.000 -1.165) 1.165 4.921 ( 0.000 0.000 0.285) 0.285 5.239 ( 0.000 0.000 7.030) 7.030 5.290 ( 0.000 0.000 -17.553) 17.553 5.794 ( 0.000 0.000 -4.403) 4.403 5.863 ( 0.000 0.000 10.061) 10.061 5.986 ( 0.000 0.000 8.904) 8.904 6.286 ( 0.000 0.000 -3.732) 3.732 6.718 ( 0.000 0.000 -1.750) 1.750 6.914 ( 0.000 0.000 7.050) 7.050 6.922 ( 0.000 0.000 3.941) 3.941 7.388 ( 0.000 0.000 -2.626) 2.626 7.394 ( 0.000 0.000 5.616) 5.616 7.679 ( 0.000 0.000 -16.485) 16.485 7.695 ( 0.000 0.000 2.745) 2.745 7.862 ( 0.000 0.000 -7.788) 7.788 8.007 ( 0.000 0.000 5.514) 5.514 8.392 ( 0.000 0.000 12.493) 12.493 8.563 ( 0.000 0.000 -15.197) 15.197 8.877 ( 0.000 0.000 1.051) 1.051 9.237 ( 0.000 0.000 1.833) 1.833 9.395 ( 0.000 0.000 -21.900) 21.900 9.398 ( 0.000 0.000 14.048) 14.048 9.588 ( 0.000 0.000 -0.671) 0.671 9.695 ( 0.000 0.000 -10.555) 10.555 10.250 ( 0.000 0.000 -2.090) 2.090 10.929 ( 0.000 0.000 -3.686) 3.686 12.077 ( 0.000 0.000 11.676) 11.676 13.006 ( 0.000 0.000 4.798) 4.798 13.315 ( 0.000 0.000 -2.033) 2.033 13.422 ( 0.000 0.000 -0.515) 0.515 ======================= Grid point 99 (34/96) ======================= q-point: ( 0.14 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -4.350 0.000 23.064) 23.471 0.984 ( 8.832 0.000 15.549) 17.882 1.755 ( 6.125 0.000 3.195) 6.908 1.970 ( 10.720 0.000 22.585) 25.000 2.202 ( -13.350 0.000 -0.943) 13.383 2.436 ( 4.345 0.000 23.378) 23.779 2.661 ( 0.429 0.000 20.995) 21.000 2.823 ( 6.785 0.000 -1.187) 6.888 2.881 ( 11.465 0.000 11.594) 16.306 3.110 ( 0.223 0.000 1.001) 1.026 3.750 ( 2.380 0.000 -13.328) 13.539 3.764 ( -11.988 0.000 6.929) 13.847 3.978 ( 9.804 0.000 -10.883) 14.648 4.082 ( 2.366 0.000 -3.801) 4.478 4.372 ( 2.353 0.000 12.871) 13.084 4.447 ( -1.729 0.000 -1.186) 2.096 4.496 ( -8.229 0.000 3.351) 8.885 4.654 ( -5.058 0.000 -4.442) 6.732 5.065 ( 5.201 0.000 1.050) 5.305 5.194 ( -4.298 0.000 6.860) 8.095 5.310 ( 2.433 0.000 -16.718) 16.894 5.719 ( 0.279 0.000 8.118) 8.123 5.757 ( -4.397 0.000 -5.566) 7.093 6.247 ( -3.146 0.000 -4.629) 5.597 6.300 ( 16.704 0.000 9.513) 19.223 6.525 ( -10.048 0.000 -0.146) 10.049 6.939 ( 1.717 0.000 1.919) 2.575 7.149 ( 13.717 0.000 6.613) 15.228 7.350 ( -0.843 0.000 -4.766) 4.840 7.528 ( 4.034 0.000 5.045) 6.460 7.655 ( 0.878 0.000 2.670) 2.811 7.723 ( 3.585 0.000 -14.546) 14.982 7.878 ( 2.238 0.000 -4.895) 5.382 7.885 ( -9.431 0.000 4.776) 10.571 8.374 ( -1.018 0.000 9.547) 9.601 8.465 ( -8.275 0.000 -15.845) 17.876 8.894 ( 1.156 0.000 -0.332) 1.203 9.143 ( -7.230 0.000 3.916) 8.223 9.154 ( -12.926 0.000 -10.702) 16.781 9.450 ( 3.596 0.000 11.052) 11.623 9.645 ( -5.294 0.000 -10.389) 11.660 9.916 ( 19.903 0.000 -8.430) 21.615 10.206 ( -4.098 0.000 -1.665) 4.423 10.989 ( 4.257 0.000 -4.451) 6.159 12.129 ( 3.974 0.000 10.684) 11.400 12.831 ( -13.192 0.000 8.950) 15.942 13.327 ( 0.943 0.000 -0.235) 0.972 13.437 ( 0.646 0.000 -2.146) 2.242 ======================= Grid point 100 (35/96) ======================= q-point: ( 0.29 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 20.562 0.000 10.046) 22.885 1.214 ( 11.888 0.000 10.984) 16.186 1.823 ( 0.442 0.000 1.318) 1.390 1.930 ( -11.928 0.000 2.878) 12.270 2.017 ( -1.918 0.000 10.196) 10.375 2.521 ( -7.260 0.000 12.773) 14.692 2.815 ( 20.646 0.000 23.922) 31.599 2.910 ( 2.262 0.000 -4.016) 4.609 3.085 ( -2.741 0.000 -0.211) 2.750 3.247 ( 20.546 0.000 7.748) 21.958 3.618 ( -1.546 0.000 8.363) 8.505 3.876 ( 8.160 0.000 -9.436) 12.475 4.096 ( -2.022 0.000 2.089) 2.907 4.206 ( 9.505 0.000 -4.166) 10.378 4.306 ( -9.098 0.000 7.403) 11.730 4.400 ( -0.888 0.000 -1.848) 2.050 4.479 ( -11.086 0.000 -2.151) 11.293 4.493 ( 9.806 0.000 4.727) 10.885 5.057 ( -8.546 0.000 6.727) 10.876 5.113 ( 1.556 0.000 5.093) 5.326 5.295 ( -3.740 0.000 -6.254) 7.287 5.563 ( -14.076 0.000 -8.244) 16.313 5.954 ( 18.413 0.000 -2.387) 18.567 6.196 ( -0.780 0.000 -4.202) 4.274 6.364 ( -5.471 0.000 -2.772) 6.134 6.632 ( 14.351 0.000 6.117) 15.600 7.002 ( 4.520 0.000 -1.014) 4.632 7.200 ( -13.116 0.000 -1.003) 13.155 7.356 ( 3.154 0.000 6.043) 6.817 7.461 ( -4.959 0.000 7.694) 9.154 7.720 ( -3.206 0.000 -2.931) 4.343 7.835 ( 8.608 0.000 -7.823) 11.632 7.932 ( 17.279 0.000 -1.137) 17.316 7.989 ( 7.555 0.000 1.644) 7.731 8.182 ( -14.192 0.000 -15.105) 20.726 8.422 ( 3.268 0.000 4.547) 5.600 8.892 ( -2.100 0.000 -2.873) 3.558 8.915 ( -9.430 0.000 -4.747) 10.557 8.969 ( -8.581 0.000 3.144) 9.139 9.434 ( -14.520 0.000 -9.906) 17.577 9.547 ( 5.997 0.000 8.109) 10.085 10.083 ( -7.329 0.000 -0.380) 7.339 10.341 ( 19.314 0.000 -7.409) 20.687 11.047 ( 0.046 0.000 -4.644) 4.644 12.209 ( 3.234 0.000 9.721) 10.245 12.555 ( -11.393 0.000 11.070) 15.885 13.355 ( 1.630 0.000 0.412) 1.682 13.439 ( -0.384 0.000 -2.631) 2.659 ======================= Grid point 101 (36/96) ======================= q-point: ( 0.43 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 19.474 0.000 5.755) 20.306 1.463 ( 11.296 0.000 7.905) 13.787 1.688 ( -12.161 0.000 5.685) 13.424 1.693 ( -10.660 0.000 5.611) 12.046 2.090 ( 8.203 0.000 2.416) 8.552 2.307 ( -11.240 0.000 5.697) 12.601 2.953 ( 2.214 0.000 -3.877) 4.464 3.013 ( -3.444 0.000 -2.260) 4.120 3.256 ( 19.137 0.000 14.439) 23.973 3.561 ( -6.521 0.000 3.683) 7.489 3.692 ( 17.996 0.000 8.979) 20.112 4.004 ( -7.265 0.000 7.991) 10.799 4.051 ( 7.972 0.000 -5.514) 9.694 4.137 ( -4.219 0.000 7.893) 8.950 4.206 ( -6.098 0.000 -3.000) 6.796 4.239 ( -9.692 0.000 4.071) 10.512 4.566 ( 12.729 0.000 5.309) 13.792 4.783 ( 12.375 0.000 -3.420) 12.839 4.847 ( -6.616 0.000 3.505) 7.487 5.153 ( 2.181 0.000 6.435) 6.794 5.198 ( -19.111 0.000 -9.634) 21.402 5.212 ( -3.478 0.000 2.352) 4.198 6.213 ( 2.007 0.000 -4.541) 4.965 6.272 ( -3.460 0.000 -4.765) 5.889 6.367 ( 18.994 0.000 -4.913) 19.620 6.726 ( -12.322 0.000 1.274) 12.388 7.085 ( 10.424 0.000 -0.093) 10.425 7.133 ( 7.503 0.000 -1.166) 7.593 7.294 ( -6.779 0.000 0.675) 6.812 7.340 ( -8.769 0.000 2.841) 9.218 7.690 ( 1.454 0.000 -3.445) 3.739 7.833 ( -12.294 0.000 -4.365) 13.046 8.058 ( 9.318 0.000 3.929) 10.112 8.127 ( 3.304 0.000 6.141) 6.973 8.374 ( 16.627 0.000 -9.345) 19.073 8.519 ( 3.504 0.000 -2.142) 4.106 8.777 ( -0.104 0.000 -0.225) 0.248 8.812 ( -4.169 0.000 -2.964) 5.115 8.816 ( -4.315 0.000 -2.598) 5.037 9.056 ( -19.673 0.000 -6.818) 20.821 9.708 ( 8.880 0.000 4.671) 10.033 9.905 ( -9.162 0.000 1.742) 9.326 10.712 ( 15.096 0.000 -5.650) 16.119 10.963 ( -8.104 0.000 -4.580) 9.309 12.272 ( 3.191 0.000 9.359) 9.888 12.368 ( -6.320 0.000 9.763) 11.630 13.392 ( 1.739 0.000 -0.436) 1.793 13.423 ( -1.097 0.000 -1.863) 2.162 ======================= Grid point 105 (37/96) ======================= q-point: ( 0.00 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.000 4.557 17.716) 18.293 1.040 ( 0.000 12.504 13.788) 18.613 1.700 ( 0.000 9.226 8.878) 12.804 1.777 ( 0.000 0.924 20.589) 20.610 2.311 ( 0.000 -8.729 -4.622) 9.878 2.412 ( 0.000 -1.722 22.083) 22.150 2.551 ( 0.000 -5.933 19.819) 20.688 2.752 ( 0.000 -1.225 9.908) 9.984 2.765 ( 0.000 4.251 9.743) 10.630 3.184 ( 0.000 5.807 5.122) 7.744 3.690 ( 0.000 -5.707 -12.263) 13.527 3.769 ( 0.000 -11.030 -6.217) 12.661 3.968 ( 0.000 0.200 -2.786) 2.793 4.098 ( 0.000 6.411 -3.426) 7.269 4.174 ( 0.000 -3.980 6.760) 7.845 4.431 ( 0.000 -3.259 -1.774) 3.711 4.631 ( 0.000 1.062 5.468) 5.570 4.774 ( 0.000 5.562 -0.645) 5.599 5.068 ( 0.000 -8.772 -2.869) 9.229 5.074 ( 0.000 7.332 -3.534) 8.139 5.466 ( 0.000 9.273 -6.900) 11.558 5.733 ( 0.000 -4.517 4.723) 6.535 5.935 ( 0.000 -4.814 7.561) 8.963 5.982 ( 0.000 7.814 2.763) 8.288 6.293 ( 0.000 1.038 -1.945) 2.205 6.678 ( 0.000 -3.841 -1.628) 4.172 6.694 ( 0.000 -13.366 6.739) 14.969 6.808 ( 0.000 -9.485 5.146) 10.791 7.351 ( 0.000 -2.286 6.588) 6.973 7.523 ( 0.000 -0.570 -14.147) 14.158 7.625 ( 0.000 5.471 -2.655) 6.081 7.900 ( 0.000 15.325 0.900) 15.351 7.992 ( 0.000 8.292 -6.864) 10.764 8.069 ( 0.000 6.059 5.664) 8.294 8.435 ( 0.000 2.883 7.403) 7.944 8.587 ( 0.000 5.291 -13.633) 14.624 8.818 ( 0.000 -4.860 -1.196) 5.004 9.301 ( 0.000 4.845 2.634) 5.515 9.308 ( 0.000 -8.205 12.832) 15.231 9.515 ( 0.000 9.735 -21.413) 23.522 9.591 ( 0.000 1.067 -0.213) 1.088 9.736 ( 0.000 3.174 -8.828) 9.381 10.236 ( 0.000 -1.339 -2.893) 3.188 10.860 ( 0.000 -7.034 -3.435) 7.828 12.129 ( 0.000 4.717 10.976) 11.947 13.044 ( 0.000 3.458 1.851) 3.922 13.253 ( 0.000 -6.810 -4.596) 8.216 13.390 ( 0.000 -2.310 2.230) 3.211 ======================= Grid point 106 (38/96) ======================= q-point: ( 0.14 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -3.935 7.827 18.195) 20.194 1.168 ( 8.575 14.968 11.741) 20.867 1.749 ( 2.667 -2.215 2.715) 4.404 1.960 ( 7.463 2.058 14.942) 16.828 2.175 ( -8.649 -3.533 1.768) 9.509 2.446 ( 6.486 1.176 20.704) 21.729 2.598 ( 1.517 -4.630 19.793) 20.384 2.792 ( 5.795 -3.117 10.585) 12.463 2.916 ( 10.854 3.329 4.330) 12.151 3.173 ( -1.049 3.644 4.744) 6.073 3.635 ( -1.264 -7.102 -4.124) 8.309 3.818 ( -5.370 0.614 0.070) 5.406 3.969 ( 10.853 -1.906 -9.861) 14.787 4.115 ( 1.909 2.940 -2.086) 4.079 4.257 ( 4.077 -1.766 5.800) 7.306 4.415 ( -1.475 -2.899 -2.257) 3.959 4.535 ( -6.914 3.387 3.221) 8.345 4.758 ( -3.079 6.170 1.388) 7.034 5.017 ( -2.218 -6.804 -1.870) 7.397 5.155 ( 3.120 1.726 -0.562) 3.610 5.449 ( -1.219 8.635 -9.515) 12.907 5.566 ( -6.524 -7.613 5.178) 11.284 5.963 ( 0.467 11.272 -0.732) 11.305 6.173 ( 4.486 -7.993 5.491) 10.685 6.265 ( 3.523 -1.597 -0.779) 3.946 6.514 ( -2.124 -1.223 1.184) 2.722 6.828 ( 2.791 -9.613 2.162) 10.241 7.010 ( 15.424 -7.465 4.377) 17.686 7.394 ( 1.904 -1.983 1.907) 3.345 7.511 ( -2.543 0.605 -1.425) 2.977 7.598 ( 0.424 -2.089 -5.344) 5.753 7.849 ( -2.795 10.981 0.573) 11.346 7.957 ( -7.006 7.002 4.761) 10.990 8.078 ( 3.865 12.382 -8.888) 15.725 8.355 ( -3.431 -1.393 4.897) 6.139 8.523 ( -5.875 6.905 -12.154) 15.163 8.888 ( 3.692 -0.577 -1.988) 4.232 9.157 ( -9.174 -0.173 4.364) 10.161 9.209 ( -12.812 4.265 -7.053) 15.234 9.408 ( 4.093 -1.610 8.387) 9.470 9.686 ( -5.185 3.464 -9.043) 10.984 9.952 ( 19.062 3.019 -9.238) 21.397 10.200 ( -3.055 -0.417 -2.596) 4.031 10.924 ( 4.774 -6.692 -4.256) 9.256 12.167 ( 3.008 3.774 10.443) 11.505 12.874 ( -13.073 4.026 5.538) 14.758 13.277 ( 1.484 -5.828 -2.714) 6.598 13.391 ( -0.202 -3.584 0.745) 3.666 ======================= Grid point 107 (39/96) ======================= q-point: ( 0.29 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 17.522 4.551 8.853) 20.152 1.378 ( 10.399 13.706 9.477) 19.642 1.804 ( 0.920 -1.843 1.055) 2.314 1.914 ( -6.975 -0.982 3.356) 7.803 2.027 ( -4.712 0.839 8.857) 10.068 2.454 ( -6.756 -5.398 11.265) 14.202 2.852 ( 19.438 3.080 20.770) 28.613 2.912 ( 4.293 -2.242 2.208) 5.323 3.085 ( -0.565 2.693 -0.173) 2.757 3.260 ( 14.635 -1.177 9.056) 17.250 3.650 ( 1.796 1.844 6.890) 7.356 3.770 ( 1.125 -5.606 -7.905) 9.756 4.116 ( -0.028 0.071 2.494) 2.496 4.244 ( 6.876 2.701 -4.589) 8.697 4.294 ( -3.359 -3.196 3.666) 5.911 4.398 ( 1.492 1.552 0.296) 2.173 4.428 ( 2.780 3.398 -0.670) 4.441 4.641 ( -5.948 6.624 5.122) 10.271 4.973 ( -3.040 -5.781 2.949) 7.167 5.153 ( -1.752 3.612 4.245) 5.843 5.346 ( -7.152 1.108 -1.002) 7.306 5.482 ( -7.349 -4.581 -7.845) 11.685 6.064 ( 11.952 9.008 -3.901) 15.466 6.158 ( 0.493 -3.997 -1.554) 4.317 6.325 ( -1.390 -3.451 -3.205) 4.911 6.664 ( 12.300 2.231 4.337) 13.232 6.905 ( 4.389 -7.754 -0.071) 8.910 7.175 ( -7.646 -2.185 -0.250) 7.956 7.357 ( 3.120 0.454 4.999) 5.910 7.476 ( -3.127 -1.806 6.697) 7.608 7.608 ( -1.835 -3.769 -1.797) 4.561 7.887 ( 5.182 1.252 -2.516) 5.895 7.901 ( 6.701 3.548 2.122) 7.873 8.159 ( 0.280 5.453 -14.231) 15.242 8.281 ( -2.278 9.402 -2.349) 9.955 8.434 ( 1.127 4.682 -0.363) 4.829 8.878 ( -6.376 -2.220 -3.311) 7.520 8.961 ( -5.611 4.542 -2.928) 7.790 9.001 ( -8.398 2.296 2.492) 9.056 9.481 ( -12.418 4.111 -8.920) 15.832 9.526 ( 5.822 -1.090 6.921) 9.110 10.085 ( -6.222 0.651 -1.207) 6.372 10.370 ( 17.961 1.998 -7.913) 19.728 10.998 ( 0.990 -5.365 -4.802) 7.268 12.231 ( 2.680 2.520 9.662) 10.339 12.590 ( -12.171 3.698 8.953) 15.555 13.311 ( 1.683 -4.882 -1.148) 5.290 13.381 ( -0.604 -5.097 -0.709) 5.181 ======================= Grid point 108 (40/96) ======================= q-point: ( 0.43 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 18.830 1.347 5.126) 19.561 1.579 ( 7.834 9.408 7.543) 14.380 1.689 ( -12.242 0.682 5.090) 13.275 1.741 ( -7.129 3.643 5.609) 9.775 2.071 ( 7.493 -1.563 3.079) 8.251 2.266 ( -9.907 -3.341 6.364) 12.240 2.971 ( 2.412 0.111 -1.982) 3.123 3.025 ( -2.585 1.039 -2.069) 3.470 3.281 ( 18.151 1.739 12.045) 21.853 3.568 ( 1.506 -2.957 1.147) 3.511 3.629 ( 3.812 -1.164 9.265) 10.086 3.797 ( -1.813 -10.219 0.970) 10.424 4.102 ( 1.110 1.909 5.882) 6.283 4.178 ( -4.834 1.154 9.418) 10.649 4.249 ( -0.361 3.034 -0.891) 3.183 4.339 ( -6.829 6.372 -1.730) 9.499 4.638 ( 9.605 6.391 9.225) 14.772 4.744 ( 15.837 -4.050 -8.075) 18.232 4.845 ( -8.570 0.846 7.650) 11.519 5.071 ( -10.697 -3.724 -5.764) 12.708 5.220 ( -1.474 1.778 5.273) 5.756 5.285 ( -6.938 3.825 -0.980) 7.983 6.200 ( 2.849 -2.116 -3.478) 4.969 6.260 ( -2.235 -1.323 -4.196) 4.935 6.419 ( 16.667 4.504 -6.792) 18.553 6.740 ( -10.717 1.454 0.198) 10.817 7.018 ( 7.139 -6.230 1.336) 9.569 7.094 ( 4.743 -0.951 0.272) 4.845 7.288 ( -4.255 -0.357 -0.681) 4.324 7.412 ( -7.515 4.779 1.139) 8.978 7.624 ( 5.388 -4.880 2.267) 7.615 7.803 ( -11.024 -1.752 1.079) 11.215 8.112 ( 10.357 4.017 1.047) 11.158 8.210 ( 3.169 6.008 -0.196) 6.796 8.384 ( 8.030 0.934 -6.084) 10.118 8.501 ( 0.876 0.902 -5.266) 5.414 8.750 ( -1.777 -1.706 0.050) 2.464 8.824 ( -6.286 -0.119 -0.442) 6.302 8.914 ( 1.674 7.497 -3.459) 8.425 9.142 ( -16.646 6.970 -7.154) 19.412 9.708 ( 9.755 0.758 3.799) 10.496 9.916 ( -9.320 1.588 0.821) 9.490 10.713 ( 13.792 -0.610 -6.001) 15.054 10.937 ( -6.916 -3.238 -4.892) 9.069 12.288 ( 3.152 2.180 9.012) 9.793 12.388 ( -6.792 2.606 8.940) 11.526 13.344 ( 1.380 -4.872 -0.788) 5.124 13.367 ( -0.785 -5.357 -1.193) 5.544 ======================= Grid point 112 (41/96) ======================= q-point: ( 0.00 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.000 7.473 10.065) 12.536 1.300 ( 0.000 12.788 9.430) 15.889 1.593 ( 0.000 -7.174 3.608) 8.030 2.106 ( 0.000 -11.044 -1.243) 11.114 2.128 ( 0.000 15.061 8.145) 17.123 2.382 ( 0.000 -9.395 14.478) 17.260 2.451 ( 0.000 9.078 23.347) 25.050 2.753 ( 0.000 0.351 11.495) 11.500 2.787 ( 0.000 -1.362 16.586) 16.641 3.253 ( 0.000 -0.751 7.343) 7.382 3.538 ( 0.000 -7.119 -1.905) 7.369 3.594 ( 0.000 -2.674 -7.090) 7.577 4.008 ( 0.000 2.243 -3.292) 3.984 4.231 ( 0.000 6.774 2.357) 7.173 4.234 ( 0.000 4.196 -5.256) 6.725 4.344 ( 0.000 -3.003 -0.695) 3.082 4.680 ( 0.000 3.933 0.963) 4.049 4.832 ( 0.000 -3.075 6.399) 7.099 4.968 ( 0.000 1.053 -6.816) 6.897 5.116 ( 0.000 -3.312 -2.085) 3.914 5.610 ( 0.000 3.448 -9.863) 10.448 5.633 ( 0.000 -4.426 6.454) 7.826 5.839 ( 0.000 -2.016 8.265) 8.507 6.081 ( 0.000 1.773 -0.574) 1.864 6.351 ( 0.000 4.236 1.832) 4.615 6.489 ( 0.000 -7.223 5.421) 9.031 6.572 ( 0.000 -6.288 3.332) 7.116 6.629 ( 0.000 -7.414 3.935) 8.393 7.317 ( 0.000 -1.361 4.385) 4.591 7.419 ( 0.000 -6.039 -11.283) 12.797 7.812 ( 0.000 10.886 -2.552) 11.181 8.141 ( 0.000 6.949 0.093) 6.950 8.221 ( 0.000 9.207 5.336) 10.641 8.228 ( 0.000 15.388 2.634) 15.611 8.417 ( 0.000 -3.297 -7.180) 7.901 8.716 ( 0.000 -4.502 -3.458) 5.677 8.824 ( 0.000 12.971 -6.371) 14.451 9.095 ( 0.000 -12.742 11.929) 17.455 9.371 ( 0.000 3.377 2.711) 4.331 9.673 ( 0.000 6.945 -0.188) 6.948 9.698 ( 0.000 6.970 -19.533) 20.739 9.797 ( 0.000 2.824 -7.158) 7.695 10.205 ( 0.000 -1.363 -4.749) 4.941 10.654 ( 0.000 -13.143 -3.208) 13.529 12.256 ( 0.000 8.077 10.053) 12.896 13.043 ( 0.000 -13.557 -3.932) 14.116 13.126 ( 0.000 4.419 -1.400) 4.636 13.344 ( 0.000 -2.438 2.526) 3.511 ======================= Grid point 113 (42/96) ======================= q-point: ( 0.14 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -1.372 12.677 9.642) 15.986 1.441 ( 9.092 9.911 6.699) 15.026 1.662 ( 5.237 -4.535 4.186) 8.094 2.010 ( -6.379 -4.685 3.389) 8.610 2.134 ( -0.254 5.416 4.588) 7.102 2.401 ( 0.527 -6.164 12.143) 13.628 2.625 ( 13.561 8.825 21.877) 27.210 2.740 ( 0.223 -2.031 15.144) 15.282 2.918 ( 10.507 -3.636 11.379) 15.909 3.205 ( -3.684 -0.222 4.762) 6.025 3.552 ( 2.963 -0.644 -3.018) 4.278 3.711 ( 6.708 -7.159 -3.658) 10.471 4.006 ( 1.130 3.733 -2.067) 4.414 4.200 ( 2.170 5.602 -0.519) 6.030 4.328 ( -1.211 -5.049 -0.679) 5.236 4.354 ( 5.047 7.820 -0.930) 9.353 4.619 ( -4.816 4.703 0.765) 6.775 4.841 ( 0.613 -1.258 6.947) 7.087 4.896 ( -5.928 -1.417 -4.825) 7.774 5.151 ( 2.627 -4.603 -1.669) 5.556 5.453 ( -8.955 -1.592 6.198) 11.006 5.597 ( -1.883 4.972 -9.163) 10.594 6.013 ( 5.709 -5.849 4.776) 9.467 6.105 ( 4.143 -0.432 -1.839) 4.553 6.242 ( -6.065 1.477 0.286) 6.249 6.490 ( 6.050 -0.826 2.028) 6.434 6.651 ( 5.209 -6.554 5.381) 9.953 6.882 ( 16.250 -5.863 4.559) 17.867 7.345 ( 1.516 -1.790 2.714) 3.587 7.457 ( 1.867 -4.805 -6.660) 8.422 7.653 ( -8.173 6.440 -1.584) 10.525 8.057 ( -11.350 4.024 10.042) 15.680 8.094 ( -8.661 8.410 0.767) 12.096 8.280 ( 4.594 8.487 -11.395) 14.932 8.387 ( 0.115 6.900 1.767) 7.124 8.687 ( -3.043 5.570 -8.336) 10.478 8.878 ( 0.508 -1.521 -2.680) 3.123 9.058 ( -2.995 -7.827 8.165) 11.700 9.319 ( -7.403 7.839 -4.580) 11.715 9.479 ( -1.745 8.170 1.480) 8.485 9.740 ( -5.939 0.562 -8.354) 10.266 10.011 ( 15.783 2.291 -9.232) 18.428 10.201 ( -0.083 0.872 -4.401) 4.488 10.723 ( 5.347 -12.942 -3.776) 14.503 12.282 ( 2.147 7.927 9.509) 12.564 12.966 ( -10.098 3.245 -0.324) 10.612 13.094 ( 1.108 -10.151 -1.873) 10.382 13.319 ( -2.236 -3.844 2.253) 4.985 ======================= Grid point 114 (43/96) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 12.982 11.759 5.287) 18.296 1.629 ( 7.833 6.863 5.767) 11.905 1.763 ( 3.270 -0.597 3.606) 4.904 1.902 ( -3.437 -0.686 3.440) 4.911 2.086 ( -4.205 7.015 6.180) 10.251 2.355 ( -4.705 -3.542 10.827) 12.325 2.773 ( 4.123 -8.316 8.080) 12.306 2.968 ( 15.616 3.197 15.234) 22.049 3.065 ( -0.904 -6.944 6.810) 9.768 3.241 ( 11.334 3.472 3.795) 12.447 3.649 ( 4.990 0.850 -2.629) 5.704 3.764 ( -1.632 -0.128 1.880) 2.493 4.075 ( 3.890 -1.247 1.507) 4.354 4.241 ( -2.159 0.237 4.668) 5.149 4.378 ( 1.489 6.344 -5.422) 8.477 4.385 ( 4.158 -0.029 -0.266) 4.167 4.556 ( 0.159 5.804 0.190) 5.809 4.738 ( -5.597 3.058 5.184) 8.219 4.872 ( 0.573 -3.734 4.536) 5.903 5.150 ( -4.464 -9.405 -1.293) 10.491 5.328 ( -2.323 6.742 7.160) 10.106 5.516 ( -5.909 4.600 -8.327) 11.199 6.055 ( 1.248 -5.920 -2.256) 6.457 6.187 ( -0.448 -10.447 -1.304) 10.537 6.250 ( 10.024 8.505 -4.667) 13.950 6.701 ( 10.985 -0.589 1.934) 11.170 6.789 ( 7.420 -0.684 4.391) 8.649 7.140 ( 0.433 -1.184 3.323) 3.554 7.318 ( 4.309 -4.806 3.939) 7.562 7.412 ( -5.727 -1.555 0.832) 5.993 7.631 ( -0.891 3.100 -1.312) 3.482 7.863 ( -1.690 -3.250 2.658) 4.526 8.021 ( 2.451 7.835 3.182) 8.805 8.272 ( -3.564 5.954 -12.359) 14.173 8.410 ( 1.301 6.951 2.309) 7.439 8.634 ( -0.758 9.953 -6.287) 11.797 8.809 ( -5.416 -5.019 -1.970) 7.642 8.954 ( -6.804 -3.745 3.289) 8.434 9.113 ( -9.452 6.398 -4.380) 12.225 9.528 ( -12.433 -1.064 -7.285) 14.449 9.591 ( 8.248 9.299 2.514) 12.682 10.140 ( -3.497 5.698 -2.872) 7.276 10.372 ( 14.623 -2.995 -7.378) 16.650 10.820 ( 2.590 -12.160 -4.322) 13.163 12.333 ( 2.541 8.232 8.204) 11.896 12.710 ( -12.024 8.099 4.483) 15.175 13.142 ( 2.627 -11.565 -2.321) 12.084 13.265 ( -2.414 -6.572 1.716) 7.209 ======================= Grid point 115 (44/96) ======================= q-point: ( 0.43 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 16.245 7.200 3.487) 18.108 1.711 ( -5.285 1.645 4.220) 6.960 1.779 ( -0.457 7.852 5.017) 9.329 1.806 ( -3.350 1.755 4.715) 6.045 2.076 ( 5.033 4.671 5.443) 8.762 2.222 ( -7.312 0.531 8.308) 11.080 2.880 ( 5.318 -9.865 3.274) 11.675 2.982 ( -4.196 -8.718 3.243) 10.204 3.316 ( 14.653 3.611 2.739) 15.338 3.484 ( 6.451 -1.498 -0.256) 6.628 3.645 ( -3.424 1.238 2.163) 4.235 3.725 ( -2.776 0.570 5.772) 6.430 4.135 ( 1.792 1.526 6.259) 6.687 4.188 ( -2.542 0.472 6.753) 7.231 4.298 ( 0.775 2.100 5.218) 5.677 4.422 ( -7.727 1.620 -0.082) 7.895 4.668 ( 10.839 -1.262 -3.841) 11.568 4.781 ( 7.390 5.032 5.547) 10.521 4.840 ( -3.665 -1.045 3.856) 5.422 4.992 ( -9.479 -5.680 -2.105) 11.249 5.319 ( 1.120 9.494 4.870) 10.729 5.385 ( -5.189 7.302 -1.094) 9.025 6.097 ( 2.657 -8.437 -3.899) 9.666 6.154 ( -2.372 -10.046 -2.799) 10.695 6.547 ( 15.190 7.739 -6.817) 18.360 6.799 ( -6.563 4.741 0.780) 8.134 6.911 ( 7.074 -4.254 1.872) 8.465 7.088 ( -5.254 -0.514 2.806) 5.979 7.288 ( 4.125 1.066 -1.764) 4.611 7.505 ( -9.450 4.692 0.422) 10.559 7.538 ( 10.421 -3.825 6.070) 12.652 7.766 ( -10.252 -2.550 4.650) 11.542 8.193 ( 11.489 4.864 -0.070) 12.476 8.338 ( 5.852 6.547 -3.277) 9.372 8.413 ( 1.132 3.003 -4.145) 5.243 8.595 ( -6.559 6.748 -6.580) 11.482 8.706 ( -0.963 -2.505 0.556) 2.741 8.802 ( -7.546 -1.454 -0.876) 7.735 9.012 ( 3.307 0.069 -2.734) 4.291 9.225 ( -14.078 -0.991 -6.159) 15.399 9.802 ( 10.350 10.030 0.883) 14.440 10.007 ( -8.501 8.564 -1.210) 12.128 10.645 ( 10.469 -7.149 -5.342) 13.757 10.804 ( -4.260 -10.344 -4.401) 12.022 12.394 ( 3.528 9.035 6.842) 11.869 12.502 ( -7.188 9.219 6.029) 13.153 13.191 ( 1.854 -10.407 -1.337) 10.655 13.224 ( -1.532 -8.881 0.336) 9.018 ======================= Grid point 119 (45/96) ======================= q-point: ( 0.00 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.000 8.559 3.644) 9.303 1.381 ( 0.000 -6.914 1.491) 7.073 1.625 ( 0.000 12.332 6.644) 14.008 1.879 ( 0.000 -11.994 3.626) 12.530 2.207 ( 0.000 -1.117 8.075) 8.152 2.229 ( 0.000 -4.651 9.693) 10.751 2.729 ( 0.000 4.083 16.709) 17.201 2.752 ( 0.000 -0.495 14.942) 14.951 2.839 ( 0.000 15.243 16.473) 22.444 3.130 ( 0.000 -10.924 9.128) 14.235 3.508 ( 0.000 2.675 -5.536) 6.148 3.568 ( 0.000 -1.765 -4.452) 4.790 4.045 ( 0.000 2.238 -1.458) 2.671 4.138 ( 0.000 -7.257 -2.820) 7.785 4.385 ( 0.000 7.133 2.490) 7.555 4.429 ( 0.000 4.271 -2.313) 4.857 4.750 ( 0.000 -1.944 9.885) 10.075 4.757 ( 0.000 1.687 -0.777) 1.857 4.989 ( 0.000 -0.971 -6.312) 6.386 4.997 ( 0.000 -5.003 0.667) 5.047 5.582 ( 0.000 -0.918 1.133) 1.458 5.592 ( 0.000 -2.034 -5.906) 6.246 5.917 ( 0.000 7.378 3.041) 7.980 6.053 ( 0.000 -4.854 -2.785) 5.596 6.404 ( 0.000 0.822 5.056) 5.122 6.436 ( 0.000 2.432 5.728) 6.223 6.460 ( 0.000 -4.448 7.163) 8.431 6.508 ( 0.000 -4.852 2.340) 5.387 7.299 ( 0.000 -0.177 0.604) 0.629 7.324 ( 0.000 -3.013 -5.042) 5.874 8.039 ( 0.000 11.113 -0.595) 11.129 8.215 ( 0.000 -4.067 8.331) 9.270 8.334 ( 0.000 3.575 -16.172) 16.563 8.409 ( 0.000 0.146 -4.544) 4.546 8.495 ( 0.000 13.399 7.730) 15.469 8.706 ( 0.000 2.979 0.338) 2.999 8.825 ( 0.000 -11.206 10.332) 15.242 8.900 ( 0.000 -5.264 -0.287) 5.271 9.547 ( 0.000 12.787 -4.927) 13.703 9.732 ( 0.000 -4.024 -12.732) 13.352 9.811 ( 0.000 5.426 -2.806) 6.109 9.850 ( 0.000 1.474 -7.015) 7.168 10.209 ( 0.000 3.019 -5.618) 6.378 10.375 ( 0.000 -13.066 -3.769) 13.599 12.461 ( 0.000 12.553 6.329) 14.058 12.746 ( 0.000 -15.348 0.515) 15.357 13.213 ( 0.000 4.114 -1.305) 4.316 13.287 ( 0.000 -3.313 0.619) 3.370 ======================= Grid point 120 (46/96) ======================= q-point: ( 0.14 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 2.489 12.615 4.059) 13.483 1.440 ( 5.227 -8.267 1.393) 9.879 1.706 ( 5.925 7.578 6.144) 11.414 1.864 ( -0.551 -7.958 3.806) 8.839 2.233 ( 2.777 2.581 6.758) 7.749 2.287 ( 3.592 -4.192 9.682) 11.146 2.723 ( -3.130 1.568 17.158) 17.511 2.778 ( 0.980 -1.775 14.486) 14.627 2.920 ( 9.101 10.646 13.964) 19.778 3.134 ( 2.239 -7.884 6.142) 10.242 3.575 ( 5.290 2.715 -4.329) 7.355 3.629 ( 4.757 -2.136 -3.821) 6.465 4.060 ( 1.562 2.699 0.651) 3.185 4.159 ( 2.551 -7.020 -1.609) 7.641 4.401 ( 0.659 9.134 1.954) 9.364 4.484 ( 4.193 2.757 -2.663) 5.681 4.698 ( -4.108 2.429 -0.327) 4.784 4.751 ( -0.920 -4.189 6.932) 8.151 4.924 ( -4.683 1.664 -1.198) 5.112 5.003 ( -0.758 -7.096 1.175) 7.233 5.507 ( -2.327 5.337 1.588) 6.035 5.611 ( 0.308 -3.566 -5.536) 6.592 5.966 ( 1.075 1.131 -0.783) 1.746 6.029 ( -2.500 -4.432 -3.153) 5.986 6.306 ( -1.376 4.520 2.145) 5.189 6.423 ( 4.582 -6.227 2.121) 8.017 6.637 ( 11.618 4.783 7.968) 14.878 6.760 ( 15.207 -6.491 5.977) 17.582 7.333 ( 2.369 0.704 0.307) 2.490 7.373 ( 3.542 -3.220 -2.588) 5.441 7.811 ( -13.037 8.793 -0.573) 15.735 7.980 ( -15.123 -7.476 1.785) 16.964 8.324 ( -6.702 11.304 3.853) 13.694 8.418 ( 0.566 3.687 -7.363) 8.254 8.553 ( 2.170 6.358 -0.738) 6.759 8.716 ( -0.636 -8.285 0.564) 8.328 8.774 ( -1.009 2.861 1.878) 3.568 8.921 ( -0.508 -7.305 3.808) 8.254 9.518 ( -8.411 9.639 -8.346) 15.275 9.662 ( -3.992 -1.625 -8.665) 9.677 9.735 ( -1.544 10.657 -2.529) 11.061 9.978 ( 9.863 -7.681 -6.418) 14.052 10.265 ( 3.873 6.292 -4.609) 8.708 10.453 ( 5.801 -12.446 -4.009) 14.304 12.491 ( 2.640 12.942 5.607) 14.349 12.778 ( 2.784 -14.919 0.064) 15.176 13.117 ( -8.091 5.837 0.283) 9.981 13.230 ( -4.952 -5.147 1.104) 7.227 ======================= Grid point 121 (47/96) ======================= q-point: ( 0.29 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 9.517 12.809 2.978) 16.233 1.574 ( 6.746 -8.332 1.564) 10.834 1.818 ( 3.606 3.230 5.393) 7.247 1.872 ( 0.523 -2.203 3.663) 4.306 2.289 ( 0.721 8.905 6.130) 10.835 2.340 ( 2.091 1.812 9.164) 9.572 2.622 ( -4.057 -3.179 11.977) 13.039 2.765 ( -2.463 -13.367 10.941) 17.449 3.161 ( 12.985 8.051 7.693) 17.106 3.276 ( 9.989 -2.059 4.479) 11.139 3.679 ( 3.388 1.458 -1.912) 4.154 3.715 ( 2.238 -2.654 -1.055) 3.628 4.109 ( 2.726 3.715 4.502) 6.442 4.202 ( -0.202 -4.598 4.273) 6.280 4.449 ( 3.380 7.026 0.411) 7.808 4.502 ( -2.617 3.705 -2.904) 5.386 4.620 ( -4.353 1.434 -2.255) 5.108 4.707 ( -0.275 -6.288 0.611) 6.324 4.869 ( 0.068 3.071 8.898) 9.414 4.961 ( -2.572 -6.975 2.285) 7.777 5.518 ( 2.420 9.970 3.265) 10.766 5.605 ( -0.980 2.776 -6.173) 6.839 5.928 ( -3.097 -5.634 -4.812) 8.031 5.956 ( -3.660 -9.658 -0.061) 10.329 6.420 ( 10.870 8.705 -2.728) 14.190 6.591 ( 10.260 -7.955 -1.241) 13.041 6.900 ( 11.130 8.371 9.573) 16.899 7.065 ( 10.923 -7.143 9.777) 16.307 7.292 ( -5.424 2.944 -1.674) 6.394 7.367 ( -4.926 -3.404 -2.364) 6.438 7.696 ( 0.434 3.494 0.701) 3.590 7.777 ( -1.926 -4.594 2.963) 5.796 8.208 ( -1.474 9.951 2.393) 10.341 8.339 ( -3.917 -1.141 -6.002) 7.258 8.569 ( -0.888 7.214 0.392) 7.279 8.686 ( -2.076 -6.113 -0.998) 6.533 8.769 ( -0.151 4.501 -2.042) 4.945 8.861 ( -4.511 -4.898 3.089) 7.340 9.242 ( -15.271 7.584 -7.547) 18.647 9.418 ( -14.942 -8.819 -8.773) 19.443 9.883 ( 9.854 17.812 -1.430) 20.406 10.212 ( 11.065 -13.016 -4.567) 17.684 10.314 ( -0.174 10.651 -3.449) 11.197 10.554 ( 2.640 -13.207 -3.802) 13.995 12.560 ( 3.603 13.950 4.077) 14.974 12.837 ( 0.935 -8.043 -0.419) 8.108 12.933 ( -6.538 3.351 2.441) 7.741 13.109 ( -5.608 -9.019 1.690) 10.754 ======================= Grid point 122 (48/96) ======================= q-point: ( 0.43 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 11.345 7.910 2.780) 14.106 1.712 ( 5.508 -3.332 2.404) 6.872 1.807 ( -5.480 0.717 4.827) 7.338 1.837 ( -3.562 -0.948 3.065) 4.794 2.295 ( 1.918 14.185 7.093) 15.975 2.353 ( -2.017 12.997 7.722) 15.252 2.612 ( 3.218 -15.060 6.348) 16.657 2.699 ( -3.858 -17.077 6.512) 18.679 3.435 ( 11.680 6.458 0.412) 13.353 3.499 ( 9.446 0.650 1.469) 9.582 3.663 ( -4.937 0.382 -0.434) 4.971 3.700 ( -4.099 -2.979 1.767) 5.367 4.180 ( 4.143 2.828 6.622) 8.308 4.211 ( 3.225 0.704 6.060) 6.901 4.335 ( -6.805 2.348 6.803) 9.905 4.403 ( -9.433 -3.129 2.910) 10.356 4.692 ( 9.489 3.429 -2.661) 10.434 4.781 ( 5.210 -4.302 1.027) 6.835 4.852 ( -3.609 1.494 3.378) 5.164 4.888 ( -4.525 -3.083 1.889) 5.792 5.565 ( 1.701 13.811 2.316) 14.107 5.590 ( -0.424 12.204 -1.961) 12.368 5.877 ( -0.868 -12.623 -3.463) 13.118 5.896 ( -2.106 -14.145 -0.461) 14.309 6.697 ( 13.349 6.892 -3.810) 15.498 6.815 ( 10.339 -4.850 -0.311) 11.424 6.928 ( -7.794 6.478 2.615) 10.466 7.042 ( -9.996 -4.295 3.325) 11.376 7.349 ( 11.161 4.731 0.784) 12.148 7.452 ( 11.759 -4.981 3.936) 13.364 7.602 ( -9.782 4.871 2.094) 11.126 7.695 ( -9.321 -4.327 4.252) 11.121 8.322 ( 10.351 7.317 -0.339) 12.681 8.419 ( 10.602 -0.427 -4.717) 11.612 8.511 ( -5.288 6.026 0.868) 8.064 8.615 ( -5.205 -4.086 -0.665) 6.650 8.747 ( -1.047 4.779 -0.859) 4.967 8.817 ( -0.674 2.380 -5.023) 5.599 8.942 ( -7.657 -1.974 -3.969) 8.847 9.094 ( -14.151 -10.497 -6.714) 18.855 10.088 ( 8.944 16.970 -1.617) 19.251 10.248 ( -5.737 14.416 -2.333) 15.690 10.419 ( 8.116 -14.921 -3.280) 17.299 10.545 ( -3.441 -14.649 -3.170) 15.378 12.640 ( 3.964 14.652 3.034) 15.479 12.739 ( -5.672 13.426 2.723) 14.827 12.941 ( 2.912 -14.145 0.198) 14.443 13.010 ( -3.758 -12.468 1.084) 13.067 ======================= Grid point 147 (49/96) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.000 0.000 14.760) 14.760 1.315 ( 0.000 0.000 19.891) 19.891 1.772 ( 0.000 0.000 6.873) 6.873 2.265 ( 0.000 0.000 -7.087) 7.087 2.296 ( 0.000 0.000 21.419) 21.419 2.866 ( 0.000 0.000 12.450) 12.450 2.974 ( 0.000 0.000 24.822) 24.822 2.982 ( 0.000 0.000 16.310) 16.310 3.106 ( 0.000 0.000 -2.519) 2.519 3.128 ( 0.000 0.000 15.955) 15.955 3.536 ( 0.000 0.000 -3.211) 3.211 3.565 ( 0.000 0.000 -14.040) 14.040 3.842 ( 0.000 0.000 -5.417) 5.417 3.881 ( 0.000 0.000 -10.871) 10.871 4.391 ( 0.000 0.000 -6.077) 6.077 4.420 ( 0.000 0.000 -15.647) 15.647 4.667 ( 0.000 0.000 14.662) 14.662 4.712 ( 0.000 0.000 1.325) 1.325 4.888 ( 0.000 0.000 -18.676) 18.676 5.121 ( 0.000 0.000 9.506) 9.506 5.360 ( 0.000 0.000 4.144) 4.144 5.621 ( 0.000 0.000 -13.620) 13.620 6.067 ( 0.000 0.000 9.967) 9.967 6.228 ( 0.000 0.000 -1.023) 1.023 6.270 ( 0.000 0.000 16.862) 16.862 6.679 ( 0.000 0.000 -2.037) 2.037 6.992 ( 0.000 0.000 2.626) 2.626 7.020 ( 0.000 0.000 3.098) 3.098 7.341 ( 0.000 0.000 -1.828) 1.828 7.441 ( 0.000 0.000 -6.108) 6.108 7.467 ( 0.000 0.000 -0.794) 0.794 7.703 ( 0.000 0.000 -7.237) 7.237 7.808 ( 0.000 0.000 8.685) 8.685 8.079 ( 0.000 0.000 -0.638) 0.638 8.301 ( 0.000 0.000 -5.121) 5.121 8.664 ( 0.000 0.000 12.318) 12.318 8.914 ( 0.000 0.000 2.633) 2.633 8.968 ( 0.000 0.000 -18.801) 18.801 9.258 ( 0.000 0.000 0.084) 0.084 9.447 ( 0.000 0.000 -13.155) 13.155 9.569 ( 0.000 0.000 -0.436) 0.436 9.654 ( 0.000 0.000 10.640) 10.640 10.199 ( 0.000 0.000 -2.794) 2.794 10.790 ( 0.000 0.000 -9.438) 9.438 12.300 ( 0.000 0.000 9.438) 9.438 13.135 ( 0.000 0.000 7.477) 7.477 13.185 ( 0.000 0.000 -8.541) 8.541 13.476 ( 0.000 0.000 3.592) 3.592 ======================= Grid point 148 (50/96) ======================= q-point: ( 0.14 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -7.657 0.000 21.477) 22.801 1.288 ( 5.717 0.000 13.671) 14.818 1.819 ( 1.476 0.000 3.194) 3.519 2.173 ( -7.406 0.000 -2.295) 7.754 2.363 ( -0.619 0.000 15.509) 15.522 2.848 ( -1.027 0.000 2.906) 3.082 2.944 ( 5.078 0.000 23.534) 24.075 3.051 ( -4.934 0.000 15.083) 15.870 3.153 ( 0.885 0.000 2.674) 2.816 3.163 ( 9.930 0.000 14.720) 17.756 3.516 ( 5.008 0.000 -8.024) 9.459 3.756 ( 12.330 0.000 -8.612) 15.040 3.854 ( -0.375 0.000 0.286) 0.472 3.973 ( 8.755 0.000 -5.283) 10.225 4.361 ( -2.696 0.000 -5.991) 6.570 4.390 ( -2.652 0.000 -13.406) 13.666 4.607 ( -7.119 0.000 3.817) 8.078 4.668 ( 0.378 0.000 13.962) 13.967 4.959 ( 6.391 0.000 -14.811) 16.131 5.213 ( 6.177 0.000 7.335) 9.590 5.306 ( -4.844 0.000 2.537) 5.468 5.589 ( -4.123 0.000 -10.808) 11.567 5.918 ( -3.929 0.000 10.650) 11.352 6.139 ( -6.670 0.000 -4.722) 8.172 6.514 ( -10.590 0.000 -1.092) 10.646 6.539 ( 14.751 0.000 12.851) 19.564 6.952 ( -0.687 0.000 -0.153) 0.703 7.236 ( -5.958 0.000 -6.399) 8.743 7.289 ( 17.786 0.000 6.108) 18.806 7.492 ( 2.777 0.000 -7.523) 8.019 7.581 ( 7.013 0.000 -2.990) 7.624 7.755 ( -4.447 0.000 8.838) 9.894 7.790 ( 8.471 0.000 -3.332) 9.103 7.979 ( -9.215 0.000 3.157) 9.741 8.211 ( -7.197 0.000 -4.951) 8.736 8.581 ( -4.648 0.000 9.170) 10.281 8.902 ( -5.426 0.000 -12.387) 13.524 8.906 ( -0.946 0.000 1.601) 1.860 9.190 ( -6.140 0.000 0.780) 6.189 9.387 ( -6.025 0.000 -13.819) 15.076 9.664 ( 0.919 0.000 9.338) 9.383 9.788 ( 17.163 0.000 -4.092) 17.645 10.164 ( -3.227 0.000 -2.349) 3.991 10.836 ( 3.469 0.000 -9.956) 10.543 12.339 ( 3.151 0.000 9.212) 9.736 12.999 ( -9.271 0.000 6.804) 11.500 13.244 ( 2.662 0.000 -5.468) 6.081 13.462 ( -1.219 0.000 2.800) 3.054 ======================= Grid point 149 (51/96) ======================= q-point: ( 0.29 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 10.709 0.000 14.915) 18.361 1.449 ( 8.861 0.000 11.396) 14.436 1.836 ( 0.619 0.000 0.183) 0.645 1.999 ( -8.356 0.000 3.245) 8.964 2.232 ( -8.487 0.000 9.761) 12.935 2.746 ( -15.780 0.000 7.969) 17.679 2.841 ( 0.617 0.000 -2.509) 2.583 3.096 ( -4.979 0.000 1.183) 5.118 3.276 ( 14.655 0.000 19.393) 24.307 3.414 ( 13.305 0.000 8.485) 15.780 3.721 ( 11.678 0.000 -4.739) 12.603 3.829 ( -0.937 0.000 8.273) 8.326 4.073 ( 16.964 0.000 -7.239) 18.444 4.148 ( 4.642 0.000 3.689) 5.929 4.284 ( -3.951 0.000 -6.518) 7.622 4.334 ( -2.131 0.000 -7.299) 7.604 4.469 ( -5.421 0.000 8.129) 9.771 4.701 ( 3.105 0.000 11.729) 12.133 5.141 ( 9.919 0.000 -5.067) 11.138 5.167 ( -8.053 0.000 0.424) 8.065 5.331 ( 4.617 0.000 9.453) 10.521 5.390 ( -14.947 0.000 -5.509) 15.929 5.972 ( 8.476 0.000 3.161) 9.047 6.035 ( -1.899 0.000 -10.322) 10.495 6.303 ( -8.866 0.000 -3.837) 9.661 6.787 ( 8.462 0.000 8.810) 12.215 6.995 ( 4.784 0.000 0.832) 4.856 7.095 ( -8.757 0.000 -10.058) 13.336 7.440 ( -3.404 0.000 0.497) 3.440 7.597 ( -10.564 0.000 -1.482) 10.668 7.698 ( -0.049 0.000 4.996) 4.996 7.751 ( 20.402 0.000 0.848) 20.420 7.850 ( 3.245 0.000 -2.191) 3.915 8.026 ( 12.377 0.000 1.747) 12.500 8.061 ( -4.540 0.000 2.690) 5.277 8.515 ( -1.994 0.000 3.912) 4.391 8.787 ( -4.497 0.000 -6.759) 8.118 8.856 ( -4.226 0.000 -0.462) 4.251 9.014 ( -10.092 0.000 1.004) 10.142 9.184 ( -12.773 0.000 -13.169) 18.346 9.701 ( 2.894 0.000 6.683) 7.283 10.068 ( -5.652 0.000 -1.074) 5.753 10.186 ( 18.912 0.000 -7.395) 20.306 10.885 ( -0.049 0.000 -10.652) 10.652 12.410 ( 3.270 0.000 9.407) 9.959 12.783 ( -10.236 0.000 10.450) 14.628 13.296 ( 2.448 0.000 -5.110) 5.667 13.430 ( -1.675 0.000 0.949) 1.925 ======================= Grid point 150 (52/96) ======================= q-point: ( 0.43 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 16.320 0.000 7.669) 18.032 1.642 ( 9.013 0.000 9.044) 12.768 1.781 ( -8.778 0.000 3.076) 9.301 1.825 ( -8.235 0.000 6.581) 10.541 2.151 ( 4.547 0.000 3.104) 5.505 2.395 ( -15.883 0.000 2.260) 16.043 2.882 ( 3.366 0.000 -2.502) 4.194 2.979 ( -5.466 0.000 -0.776) 5.521 3.528 ( 8.984 0.000 10.572) 13.874 3.629 ( 2.217 0.000 3.767) 4.371 3.876 ( 8.205 0.000 7.669) 11.231 3.953 ( 9.777 0.000 -3.719) 10.461 4.105 ( -9.157 0.000 0.330) 9.163 4.133 ( -7.072 0.000 -3.915) 8.083 4.313 ( 2.457 0.000 11.590) 11.848 4.392 ( -3.321 0.000 12.777) 13.201 4.521 ( 21.396 0.000 -8.909) 23.177 4.810 ( 7.126 0.000 8.256) 10.906 4.964 ( -14.679 0.000 -10.525) 18.062 5.009 ( -15.633 0.000 7.273) 17.242 5.323 ( 6.108 0.000 7.172) 9.420 5.387 ( 0.071 0.000 11.412) 11.412 6.051 ( 2.874 0.000 -10.504) 10.890 6.145 ( -5.929 0.000 -7.704) 9.721 6.266 ( 18.710 0.000 -4.002) 19.134 6.695 ( -18.791 0.000 -4.598) 19.345 7.075 ( 10.456 0.000 -0.492) 10.467 7.138 ( 8.155 0.000 1.680) 8.326 7.314 ( -7.724 0.000 1.004) 7.789 7.337 ( -12.794 0.000 -2.795) 13.095 7.722 ( 3.052 0.000 5.768) 6.526 7.817 ( -5.482 0.000 1.648) 5.725 8.151 ( 15.095 0.000 4.970) 15.892 8.210 ( 14.097 0.000 -4.956) 14.943 8.251 ( 6.361 0.000 5.456) 8.380 8.448 ( -6.282 0.000 -4.300) 7.613 8.741 ( -4.848 0.000 -2.533) 5.470 8.744 ( 1.533 0.000 -2.399) 2.847 8.789 ( -9.424 0.000 -1.213) 9.502 8.894 ( -12.365 0.000 -7.554) 14.490 9.795 ( 5.817 0.000 3.595) 6.838 9.933 ( -6.775 0.000 0.913) 6.836 10.554 ( 15.095 0.000 -9.411) 17.788 10.803 ( -7.927 0.000 -10.543) 13.190 12.481 ( 3.850 0.000 10.459) 11.145 12.594 ( -7.112 0.000 11.410) 13.445 13.348 ( 2.314 0.000 -3.592) 4.273 13.392 ( -1.889 0.000 -1.362) 2.329 ======================= Grid point 154 (53/96) ======================= q-point: ( 0.00 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.000 6.449 10.883) 12.650 1.306 ( 0.000 -0.697 17.858) 17.872 1.828 ( 0.000 1.708 6.111) 6.345 2.206 ( 0.000 -2.659 19.155) 19.339 2.206 ( 0.000 -5.208 -5.269) 7.408 2.832 ( 0.000 -14.769 4.020) 15.307 2.901 ( 0.000 1.312 22.716) 22.754 3.001 ( 0.000 1.762 15.768) 15.866 3.045 ( 0.000 6.286 16.085) 17.270 3.354 ( 0.000 9.424 8.988) 13.023 3.529 ( 0.000 -0.059 -0.341) 0.346 3.548 ( 0.000 -2.818 -11.938) 12.266 3.868 ( 0.000 2.289 -5.814) 6.248 3.946 ( 0.000 5.667 -10.995) 12.370 4.265 ( 0.000 -8.243 -3.833) 9.091 4.339 ( 0.000 -4.299 -7.102) 8.302 4.736 ( 0.000 3.409 8.621) 9.271 4.773 ( 0.000 4.342 -1.847) 4.719 4.865 ( 0.000 -0.747 -11.324) 11.348 5.099 ( 0.000 -1.653 2.659) 3.131 5.415 ( 0.000 4.181 0.947) 4.287 5.688 ( 0.000 4.541 -9.971) 10.957 6.042 ( 0.000 -3.027 3.281) 4.465 6.186 ( 0.000 -7.034 14.570) 16.179 6.294 ( 0.000 5.896 3.327) 6.770 6.660 ( 0.000 -2.427 0.248) 2.440 6.855 ( 0.000 -12.366 8.381) 14.939 6.888 ( 0.000 -8.111 2.592) 8.515 7.266 ( 0.000 -0.495 -9.646) 9.659 7.496 ( 0.000 1.337 4.872) 5.052 7.605 ( 0.000 7.100 0.956) 7.164 7.770 ( 0.000 5.714 -11.804) 13.114 7.977 ( 0.000 15.402 5.682) 16.416 8.150 ( 0.000 6.449 -2.805) 7.033 8.338 ( 0.000 3.568 -2.502) 4.358 8.653 ( 0.000 1.029 9.546) 9.602 8.769 ( 0.000 -7.683 -4.894) 9.109 9.130 ( 0.000 8.792 -13.731) 16.305 9.337 ( 0.000 5.572 0.633) 5.608 9.423 ( 0.000 -2.783 -6.015) 6.627 9.587 ( 0.000 2.387 0.674) 2.480 9.649 ( 0.000 0.018 5.009) 5.009 10.168 ( 0.000 -3.013 -3.603) 4.697 10.734 ( 0.000 -5.854 -8.471) 10.297 12.336 ( 0.000 3.637 8.615) 9.352 13.119 ( 0.000 -6.331 -7.772) 10.024 13.133 ( 0.000 -0.053 6.198) 6.199 13.455 ( 0.000 -2.102 3.230) 3.854 ======================= Grid point 155 (54/96) ======================= q-point: ( 0.14 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -6.071 1.502 19.008) 20.010 1.394 ( 6.277 8.562 10.064) 14.628 1.826 ( -0.192 0.367 4.566) 4.584 2.133 ( -5.831 -3.267 0.318) 6.692 2.278 ( 1.220 -5.299 11.105) 12.365 2.775 ( -2.997 -9.247 6.822) 11.875 3.005 ( 1.989 4.800 15.051) 15.923 3.029 ( 6.919 2.506 17.942) 19.393 3.120 ( 4.783 0.282 13.080) 13.930 3.315 ( -0.876 6.345 7.371) 9.765 3.490 ( 1.641 -1.877 -5.659) 6.183 3.745 ( 12.883 -2.498 -7.688) 15.210 3.876 ( 0.164 2.590 -0.769) 2.707 4.034 ( 7.957 5.177 -4.713) 10.599 4.274 ( 0.378 -4.431 -6.604) 7.962 4.330 ( -0.914 -3.870 -5.390) 6.698 4.625 ( -5.948 3.300 7.025) 9.778 4.768 ( -1.516 3.493 -0.876) 3.907 4.951 ( 5.962 0.809 -3.530) 6.976 5.144 ( 3.310 -3.976 -0.203) 5.177 5.384 ( -2.859 5.110 1.369) 6.013 5.606 ( -6.740 0.155 -3.518) 7.604 5.958 ( -0.886 2.864 1.844) 3.520 6.161 ( -7.843 2.098 -1.755) 8.306 6.384 ( 3.377 -8.821 6.748) 11.609 6.570 ( 2.050 -0.064 4.815) 5.234 6.878 ( 0.563 -6.388 3.282) 7.204 7.090 ( 10.918 -7.512 2.232) 13.439 7.284 ( 4.521 -1.643 -6.720) 8.264 7.547 ( -3.241 3.691 -1.570) 5.157 7.600 ( 7.630 -0.606 4.862) 9.068 7.795 ( -2.164 4.740 -6.742) 8.521 7.956 ( 2.181 13.800 1.996) 14.113 8.081 ( -7.904 8.415 2.637) 11.842 8.256 ( -5.150 4.382 -3.945) 7.829 8.539 ( -5.243 -1.742 5.618) 7.880 8.828 ( 0.687 -2.908 -5.118) 5.926 9.014 ( -6.889 5.860 -6.312) 11.029 9.241 ( -7.418 2.465 1.024) 7.883 9.426 ( -2.708 4.118 -9.575) 10.769 9.635 ( -0.217 -2.123 7.442) 7.742 9.814 ( 17.042 2.381 -4.136) 17.697 10.140 ( -2.492 -2.160 -3.130) 4.547 10.784 ( 3.853 -5.493 -9.022) 11.243 12.367 ( 2.521 2.975 8.505) 9.356 12.989 ( -8.686 -0.946 4.385) 9.776 13.188 ( 2.304 -5.138 -3.830) 6.810 13.436 ( -1.586 -2.513 2.622) 3.963 ======================= Grid point 156 (55/96) ======================= q-point: ( 0.29 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 9.388 1.605 14.061) 16.983 1.567 ( 9.313 9.928 8.382) 15.986 1.826 ( 0.109 -0.349 1.459) 1.504 1.994 ( -6.414 -0.598 3.596) 7.378 2.209 ( -6.393 -1.691 8.494) 10.764 2.645 ( -9.592 -5.976 6.598) 13.087 2.953 ( -3.910 6.150 2.072) 7.577 3.089 ( -3.662 0.170 3.007) 4.741 3.296 ( 12.186 1.770 17.090) 21.064 3.439 ( 10.151 -0.306 8.242) 13.079 3.611 ( 7.973 -7.582 -4.029) 11.717 3.851 ( -0.598 1.919 7.072) 7.352 4.072 ( 14.750 -1.942 -7.119) 16.493 4.189 ( 4.622 4.118 0.630) 6.222 4.272 ( -0.848 0.194 -6.463) 6.521 4.327 ( 2.299 0.531 -0.214) 2.369 4.518 ( -4.315 3.880 6.830) 8.962 4.761 ( 1.812 3.772 6.672) 7.876 5.043 ( -0.347 -4.665 1.492) 4.910 5.210 ( 2.455 -2.326 -5.406) 6.377 5.307 ( -3.957 5.101 3.689) 7.436 5.449 ( -6.164 0.711 3.907) 7.332 6.024 ( 5.562 5.955 0.136) 8.150 6.042 ( -0.333 -0.798 -8.438) 8.483 6.292 ( -6.532 -1.657 -1.573) 6.920 6.773 ( 10.511 -0.829 6.511) 12.392 6.916 ( 3.648 -6.032 0.436) 7.063 7.100 ( -7.397 0.574 -6.502) 9.865 7.426 ( -3.178 -1.682 0.220) 3.602 7.532 ( 4.149 -5.313 -4.004) 7.841 7.659 ( -2.886 0.323 9.982) 10.396 7.832 ( 6.603 0.006 -7.078) 9.680 7.908 ( 2.363 8.622 2.376) 9.251 8.061 ( 0.931 5.312 6.773) 8.658 8.212 ( 4.577 10.617 -3.480) 12.074 8.462 ( -2.624 -2.194 1.282) 3.653 8.772 ( -3.953 -1.344 -5.851) 7.188 8.912 ( -3.909 4.497 -1.093) 6.058 9.046 ( -10.599 1.113 0.520) 10.670 9.263 ( -11.831 7.473 -10.300) 17.376 9.672 ( 3.662 -2.275 6.625) 7.904 10.055 ( -4.464 -0.798 -1.693) 4.841 10.209 ( 17.719 1.784 -7.386) 19.280 10.845 ( 0.685 -4.393 -9.824) 10.783 12.424 ( 2.632 1.728 8.771) 9.319 12.780 ( -10.144 0.020 8.908) 13.500 13.239 ( 2.620 -5.517 -4.574) 7.631 13.395 ( -2.149 -3.438 1.052) 4.189 ======================= Grid point 157 (56/96) ======================= q-point: ( 0.43 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 15.942 0.109 7.607) 17.664 1.742 ( 4.288 7.886 7.785) 11.882 1.775 ( -6.458 0.050 3.104) 7.166 1.862 ( -5.579 2.693 5.503) 8.286 2.146 ( 4.722 -0.110 3.761) 6.038 2.377 ( -14.091 -1.108 3.814) 14.640 2.930 ( 1.792 4.170 -1.570) 4.803 3.001 ( -4.272 2.073 0.401) 4.765 3.505 ( 7.501 -3.617 8.461) 11.872 3.595 ( 0.712 -6.104 2.380) 6.590 3.768 ( 7.714 -5.913 2.255) 9.977 3.860 ( 0.312 -2.463 5.676) 6.195 4.188 ( -0.842 2.459 -1.146) 2.840 4.195 ( -2.392 4.097 -4.578) 6.593 4.355 ( 1.523 4.096 10.376) 11.259 4.399 ( 1.231 1.891 10.064) 10.314 4.547 ( 14.010 0.431 -6.852) 15.602 4.855 ( 4.852 3.346 8.416) 10.275 4.887 ( -11.131 -5.003 -7.959) 14.570 5.057 ( -11.292 4.134 8.716) 14.851 5.353 ( 4.152 2.735 5.647) 7.524 5.404 ( -0.765 1.349 10.224) 10.341 6.061 ( 3.478 0.660 -8.988) 9.660 6.160 ( -5.446 0.641 -6.424) 8.446 6.297 ( 17.459 3.060 -3.966) 18.163 6.703 ( -17.827 1.243 -3.993) 18.310 7.060 ( 7.866 -5.764 2.468) 10.059 7.091 ( 9.994 1.371 -0.223) 10.090 7.276 ( -7.760 -2.731 -0.848) 8.270 7.382 ( -11.945 3.448 -2.877) 12.761 7.727 ( 5.016 -0.414 6.278) 8.046 7.832 ( -4.351 0.507 0.133) 4.383 8.146 ( 11.539 1.177 2.287) 11.822 8.196 ( 13.075 1.529 1.447) 13.243 8.337 ( -0.133 2.259 -0.155) 2.269 8.393 ( -3.698 0.435 -3.471) 5.090 8.733 ( 1.244 -1.023 -1.611) 2.278 8.821 ( -5.974 1.141 -0.389) 6.094 8.841 ( -3.326 6.094 -3.149) 7.623 8.982 ( -12.860 9.159 -7.070) 17.299 9.783 ( 6.506 -0.518 3.371) 7.346 9.929 ( -6.804 0.170 0.443) 6.820 10.556 ( 14.032 -0.264 -9.040) 16.694 10.782 ( -6.898 -2.541 -9.884) 12.318 12.485 ( 3.486 0.793 9.657) 10.298 12.592 ( -6.994 0.299 10.298) 12.452 13.296 ( 2.619 -5.059 -3.327) 6.597 13.348 ( -2.282 -4.357 -1.147) 5.050 ======================= Grid point 161 (57/96) ======================= q-point: ( 0.00 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.000 0.373 12.866) 12.871 1.447 ( 0.000 7.168 5.466) 9.014 1.734 ( 0.000 -6.776 9.713) 11.843 2.094 ( 0.000 -5.365 0.145) 5.367 2.307 ( 0.000 7.316 10.013) 12.401 2.540 ( 0.000 -13.751 1.798) 13.868 2.956 ( 0.000 5.970 22.538) 23.315 3.044 ( 0.000 2.409 15.946) 16.127 3.139 ( 0.000 2.278 16.380) 16.538 3.432 ( 0.000 -1.175 5.979) 6.093 3.440 ( 0.000 -5.846 -6.668) 8.868 3.570 ( 0.000 2.406 6.820) 7.232 3.922 ( 0.000 2.991 -5.214) 6.011 4.054 ( 0.000 3.208 -11.102) 11.556 4.245 ( 0.000 5.490 -2.555) 6.055 4.271 ( 0.000 -0.411 -6.410) 6.423 4.773 ( 0.000 -2.349 -11.658) 11.893 4.780 ( 0.000 1.201 9.146) 9.224 4.955 ( 0.000 6.990 4.928) 8.552 5.053 ( 0.000 -3.146 -4.175) 5.228 5.468 ( 0.000 0.339 -2.929) 2.949 5.737 ( 0.000 -1.106 1.789) 2.103 5.959 ( 0.000 -3.376 -7.800) 8.499 6.060 ( 0.000 -4.220 12.041) 12.760 6.394 ( 0.000 2.467 1.784) 3.045 6.562 ( 0.000 -7.030 -1.643) 7.219 6.661 ( 0.000 -5.665 9.826) 11.342 6.745 ( 0.000 -5.464 5.675) 7.877 7.311 ( 0.000 4.408 0.074) 4.409 7.502 ( 0.000 -0.583 10.972) 10.988 7.734 ( 0.000 6.816 -3.107) 7.491 7.881 ( 0.000 4.787 -16.794) 17.463 8.285 ( 0.000 5.063 -6.998) 8.638 8.296 ( 0.000 13.363 2.858) 13.665 8.432 ( 0.000 6.887 9.083) 11.399 8.645 ( 0.000 -3.368 -3.616) 4.942 8.768 ( 0.000 9.325 0.558) 9.342 9.199 ( 0.000 -5.834 -7.317) 9.358 9.395 ( 0.000 3.522 -4.319) 5.573 9.405 ( 0.000 1.546 0.652) 1.678 9.671 ( 0.000 2.095 -3.406) 3.998 9.679 ( 0.000 5.754 1.362) 5.913 10.095 ( 0.000 -3.466 -5.684) 6.657 10.551 ( 0.000 -12.127 -6.509) 13.763 12.441 ( 0.000 6.584 7.501) 9.980 12.952 ( 0.000 -9.692 -4.781) 10.807 13.144 ( 0.000 1.503 2.909) 3.274 13.393 ( 0.000 -4.060 1.971) 4.513 ======================= Grid point 162 (58/96) ======================= q-point: ( 0.14 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -2.951 5.211 13.686) 14.938 1.534 ( 6.271 3.421 3.460) 7.938 1.813 ( 5.018 -1.029 9.385) 10.692 2.061 ( -3.135 -4.437 1.736) 5.703 2.262 ( -2.591 4.494 7.984) 9.522 2.571 ( 1.837 -9.657 4.423) 10.779 3.059 ( -3.224 0.995 14.946) 15.323 3.082 ( 6.668 0.325 17.723) 18.938 3.165 ( 9.790 3.963 14.286) 17.766 3.338 ( -7.847 -1.432 4.931) 9.377 3.490 ( 2.596 -0.155 -2.207) 3.411 3.645 ( 8.141 -4.809 -1.794) 9.624 3.962 ( 3.547 5.019 -2.354) 6.581 4.137 ( 7.247 3.096 -4.282) 8.969 4.274 ( 0.327 0.875 -5.835) 5.909 4.297 ( 3.746 4.973 -4.155) 7.485 4.700 ( -5.549 2.514 3.012) 6.796 4.772 ( -0.284 -0.192 -1.608) 1.645 4.968 ( 0.762 -1.707 1.858) 2.635 5.116 ( 4.803 1.547 -0.501) 5.071 5.438 ( -2.748 -0.304 -1.390) 3.094 5.611 ( -7.600 1.368 4.239) 8.809 5.957 ( 0.296 -3.383 -7.580) 8.306 6.169 ( 4.258 -5.132 6.565) 9.358 6.256 ( -7.259 0.332 0.866) 7.318 6.541 ( 4.287 -2.869 2.256) 5.630 6.772 ( 3.250 -2.869 6.137) 7.514 6.959 ( 17.186 -6.229 3.170) 18.553 7.302 ( -1.807 3.983 -2.260) 4.923 7.566 ( 2.890 -2.101 10.007) 10.625 7.625 ( -3.859 4.234 -0.738) 5.777 7.873 ( -4.236 1.636 -14.456) 15.152 8.218 ( -1.179 9.487 1.154) 9.629 8.266 ( -9.843 10.032 5.798) 15.203 8.361 ( 0.138 5.997 -2.224) 6.398 8.592 ( -3.022 7.038 -0.582) 7.682 8.797 ( -1.163 -0.521 -4.789) 4.956 9.102 ( -5.804 1.079 -5.660) 8.178 9.253 ( -7.468 0.983 1.268) 7.638 9.509 ( 1.571 2.856 -3.175) 4.551 9.612 ( -3.453 0.046 0.592) 3.504 9.873 ( 14.968 2.930 -3.845) 15.729 10.102 ( 0.488 -0.575 -4.969) 5.026 10.610 ( 4.593 -11.724 -6.981) 14.398 12.460 ( 1.514 6.164 7.342) 9.705 12.940 ( -2.462 -5.468 -2.842) 6.636 13.092 ( -3.069 -2.007 2.299) 4.329 13.362 ( -2.637 -4.859 1.741) 5.797 ======================= Grid point 163 (59/96) ======================= q-point: ( 0.29 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 8.340 7.319 10.358) 15.179 1.687 ( 7.360 -0.412 1.106) 7.454 1.888 ( 1.724 5.013 7.332) 9.047 1.984 ( -3.263 0.170 3.695) 4.932 2.212 ( -3.149 4.325 6.424) 8.360 2.552 ( -4.458 -2.899 7.904) 9.526 2.973 ( -2.097 -3.969 10.616) 11.526 3.142 ( -7.529 1.832 1.243) 7.848 3.262 ( 6.394 -7.413 10.862) 14.622 3.373 ( 7.712 1.286 6.353) 10.075 3.577 ( 6.058 2.260 -0.399) 6.478 3.831 ( 6.222 -6.466 0.190) 8.975 4.057 ( 5.340 3.727 -0.872) 6.570 4.265 ( 1.545 -0.749 -3.604) 3.992 4.305 ( 5.171 7.006 -2.394) 9.031 4.406 ( 6.391 5.881 2.434) 9.019 4.576 ( -5.619 1.189 4.331) 7.194 4.797 ( 3.211 0.254 4.261) 5.342 4.945 ( -4.090 -5.026 -3.690) 7.457 5.192 ( -0.451 -2.404 6.941) 7.359 5.389 ( 0.787 4.387 -1.215) 4.620 5.499 ( -2.523 6.198 6.565) 9.374 5.972 ( 1.038 -5.843 -5.162) 7.866 6.185 ( 4.146 8.799 -1.428) 9.831 6.201 ( -2.352 -7.612 1.371) 8.084 6.717 ( 10.137 -6.130 -0.394) 11.853 6.882 ( 6.540 4.709 3.895) 8.951 7.135 ( -7.232 3.375 -2.680) 8.418 7.345 ( 10.396 -6.249 -0.207) 12.131 7.445 ( -7.733 -3.662 -1.302) 8.655 7.686 ( 0.634 2.051 7.487) 7.788 7.824 ( 1.364 -1.051 -6.053) 6.293 8.083 ( -1.084 8.976 2.269) 9.321 8.203 ( -3.195 7.391 6.700) 10.475 8.387 ( 3.086 6.208 -5.377) 8.774 8.530 ( -2.498 9.150 -3.024) 9.955 8.733 ( -3.062 -2.740 -3.638) 5.488 8.981 ( -7.073 0.502 -1.589) 7.267 9.066 ( -9.162 2.181 -0.158) 9.419 9.366 ( -11.597 -0.337 -6.882) 13.490 9.671 ( 6.542 4.349 4.599) 9.103 10.077 ( -1.887 4.313 -2.980) 5.572 10.226 ( 15.275 -1.052 -6.475) 16.624 10.695 ( 2.339 -10.522 -7.612) 13.195 12.495 ( 1.739 5.606 7.127) 9.233 12.804 ( -8.711 2.855 4.299) 10.125 13.090 ( 2.246 -8.798 -2.233) 9.351 13.294 ( -3.507 -6.654 0.872) 7.572 ======================= Grid point 164 (60/96) ======================= q-point: ( 0.43 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 14.361 5.149 5.821) 16.329 1.775 ( -3.324 0.307 2.282) 4.043 1.880 ( -1.684 2.092 3.789) 4.645 1.909 ( -2.916 2.425 4.701) 6.040 2.200 ( 5.180 7.688 6.090) 11.092 2.387 ( -10.105 3.066 7.122) 12.737 2.972 ( 1.909 -3.773 5.591) 7.010 3.032 ( -3.445 -1.442 2.580) 4.539 3.376 ( 4.513 -5.565 2.576) 7.615 3.444 ( -0.958 -2.732 -2.318) 3.708 3.733 ( 7.713 -0.258 4.998) 9.195 3.856 ( -2.941 -1.452 5.667) 6.548 4.177 ( 5.060 -0.840 -1.479) 5.339 4.261 ( -1.985 2.536 -3.947) 5.094 4.420 ( 2.003 0.524 1.915) 2.820 4.476 ( -0.646 3.946 10.946) 11.653 4.557 ( 8.106 2.952 -0.238) 8.630 4.783 ( -10.245 -2.299 -7.231) 12.749 4.919 ( 7.735 -0.559 6.683) 10.238 5.089 ( -7.356 -2.493 8.048) 11.185 5.452 ( 2.813 7.770 6.228) 10.348 5.485 ( -0.180 7.895 9.567) 12.405 6.022 ( 3.798 -5.442 -3.809) 7.652 6.117 ( -4.669 -5.855 -1.674) 7.674 6.412 ( 15.602 8.534 -5.111) 18.504 6.771 ( -15.956 5.737 -3.753) 17.366 6.929 ( 10.154 -6.758 0.356) 12.203 7.133 ( -3.616 -0.190 1.359) 3.868 7.243 ( 4.275 2.001 -2.762) 5.469 7.470 ( -8.667 5.078 -2.399) 10.327 7.681 ( 6.113 -3.971 5.015) 8.848 7.813 ( -4.281 -2.456 -1.606) 5.191 8.226 ( 7.671 5.998 3.682) 10.411 8.252 ( 12.104 4.136 -0.280) 12.794 8.385 ( -4.996 5.199 -0.907) 7.267 8.477 ( -5.517 5.213 -3.580) 8.393 8.704 ( 1.115 -1.476 -0.292) 1.873 8.796 ( -7.745 -1.798 -0.839) 7.995 8.956 ( 0.774 2.089 -2.283) 3.190 9.108 ( -11.420 0.440 -4.494) 12.280 9.830 ( 7.888 6.802 1.824) 10.574 9.985 ( -6.287 6.710 -0.839) 9.233 10.514 ( 11.049 -4.736 -7.140) 13.981 10.679 ( -4.241 -8.198 -7.599) 11.956 12.541 ( 2.911 5.393 7.025) 9.322 12.636 ( -6.368 4.822 6.648) 10.393 13.152 ( 3.193 -9.197 -2.312) 10.006 13.221 ( -3.318 -8.310 -0.747) 8.979 ======================= Grid point 168 (61/96) ======================= q-point: ( 0.00 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.000 3.745 8.007) 8.840 1.445 ( 0.000 -6.054 5.195) 7.977 1.775 ( 0.000 9.859 8.437) 12.976 1.975 ( 0.000 -8.046 6.392) 10.276 2.339 ( 0.000 -4.568 1.031) 4.683 2.345 ( 0.000 -2.350 5.213) 5.718 3.091 ( 0.000 2.175 17.054) 17.192 3.119 ( 0.000 1.547 19.642) 19.703 3.190 ( 0.000 10.184 15.052) 18.173 3.367 ( 0.000 -5.200 10.983) 12.152 3.402 ( 0.000 2.490 -4.686) 5.307 3.523 ( 0.000 -7.030 -0.120) 7.031 3.982 ( 0.000 2.978 -4.082) 5.053 4.041 ( 0.000 -2.811 -5.779) 6.426 4.355 ( 0.000 5.927 -4.500) 7.442 4.377 ( 0.000 4.740 -4.123) 6.282 4.738 ( 0.000 -0.613 -10.033) 10.052 4.768 ( 0.000 -2.649 0.438) 2.685 5.009 ( 0.000 0.252 2.262) 2.276 5.038 ( 0.000 -0.008 9.322) 9.322 5.482 ( 0.000 3.657 -3.389) 4.986 5.621 ( 0.000 -8.502 2.692) 8.919 5.966 ( 0.000 2.832 -5.665) 6.334 6.015 ( 0.000 -1.576 5.600) 5.818 6.398 ( 0.000 -0.457 -2.391) 2.434 6.432 ( 0.000 -4.585 -4.512) 6.432 6.620 ( 0.000 0.569 10.151) 10.167 6.661 ( 0.000 -3.218 8.892) 9.456 7.408 ( 0.000 4.472 11.025) 11.898 7.474 ( 0.000 -2.225 13.828) 14.006 7.874 ( 0.000 6.283 -12.344) 13.851 7.940 ( 0.000 0.282 -18.937) 18.940 8.335 ( 0.000 1.693 -0.057) 1.694 8.385 ( 0.000 -2.449 -0.387) 2.480 8.642 ( 0.000 12.442 6.903) 14.229 8.718 ( 0.000 7.363 0.856) 7.412 8.893 ( 0.000 0.980 -0.482) 1.092 8.986 ( 0.000 -12.225 4.125) 12.902 9.452 ( 0.000 3.404 -3.763) 5.075 9.476 ( 0.000 2.132 -10.171) 10.392 9.721 ( 0.000 2.578 -4.942) 5.574 9.752 ( 0.000 0.559 -2.326) 2.392 10.087 ( 0.000 4.466 -5.890) 7.391 10.282 ( 0.000 -13.457 -5.144) 14.407 12.587 ( 0.000 7.868 5.556) 9.632 12.758 ( 0.000 -9.304 0.586) 9.322 13.200 ( 0.000 4.131 0.139) 4.133 13.298 ( 0.000 -5.184 0.299) 5.193 ======================= Grid point 169 (62/96) ======================= q-point: ( 0.14 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 2.173 7.775 7.932) 11.318 1.498 ( 4.579 -5.990 4.243) 8.652 1.846 ( 5.037 4.422 8.167) 10.565 1.956 ( -1.020 -5.843 5.614) 8.167 2.366 ( 2.077 3.780 5.553) 7.032 2.429 ( 6.434 -4.248 3.897) 8.639 3.055 ( -5.747 -0.177 12.277) 13.557 3.069 ( -2.441 -0.504 13.543) 13.770 3.244 ( 3.942 3.164 15.077) 15.902 3.309 ( -3.033 -2.966 9.003) 9.953 3.490 ( 7.099 3.190 -3.380) 8.485 3.577 ( 4.610 -3.730 -0.815) 5.986 4.047 ( 5.484 3.524 -1.244) 6.637 4.115 ( 6.313 -3.249 -1.609) 7.279 4.372 ( 2.014 5.829 -4.513) 7.642 4.403 ( 2.225 3.359 -5.092) 6.493 4.708 ( -3.319 0.518 -6.673) 7.471 4.761 ( -0.991 -3.499 1.364) 3.884 4.968 ( -1.453 4.624 3.142) 5.777 5.094 ( 1.848 -5.361 9.435) 11.008 5.468 ( 0.012 5.299 -2.656) 5.928 5.596 ( -0.722 -4.851 2.330) 5.430 5.916 ( -2.990 2.107 -3.934) 5.372 6.027 ( -0.609 -7.421 2.669) 7.910 6.333 ( -2.004 5.657 0.158) 6.004 6.452 ( 2.890 -5.702 0.020) 6.393 6.769 ( 9.789 2.102 5.900) 11.621 6.843 ( 15.542 -5.027 3.575) 16.721 7.415 ( -1.616 6.059 6.878) 9.307 7.512 ( 1.028 -3.564 11.372) 11.962 7.726 ( -7.018 5.834 -5.984) 10.914 7.839 ( -7.978 -4.608 -12.205) 15.292 8.340 ( -0.710 5.017 0.355) 5.079 8.415 ( -0.280 -1.521 -2.948) 3.329 8.505 ( -7.075 12.624 2.360) 14.662 8.716 ( -4.375 -5.832 -0.928) 7.349 8.813 ( -2.149 10.250 1.396) 10.565 9.016 ( -0.427 -8.096 3.464) 8.817 9.345 ( -8.487 6.525 -7.032) 12.808 9.475 ( -6.077 -5.834 -8.382) 11.883 9.705 ( 3.570 9.339 -0.209) 10.000 9.870 ( 10.366 -4.653 -3.504) 11.890 10.159 ( 4.918 6.477 -5.466) 9.799 10.353 ( 5.441 -12.547 -5.607) 14.781 12.604 ( 1.522 8.137 5.068) 9.706 12.779 ( 1.910 -9.127 0.046) 9.325 13.131 ( -6.062 4.764 0.994) 7.774 13.248 ( -4.349 -6.296 0.550) 7.672 ======================= Grid point 170 (63/96) ======================= q-point: ( 0.29 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 7.498 9.783 5.871) 13.653 1.617 ( 6.303 -6.014 2.423) 9.042 1.921 ( 1.431 0.770 5.304) 5.547 1.961 ( 0.505 -2.796 4.647) 5.447 2.411 ( 1.742 11.447 5.617) 12.869 2.527 ( 1.735 -0.878 7.972) 8.206 2.877 ( -7.984 -2.601 11.932) 14.590 2.973 ( -7.410 -10.886 8.810) 15.844 3.308 ( 5.488 5.915 4.704) 9.340 3.393 ( 7.208 -1.310 4.989) 8.863 3.627 ( 4.469 2.134 -1.177) 5.090 3.687 ( 4.966 -5.354 -2.162) 7.616 4.155 ( 3.099 4.638 0.683) 5.620 4.233 ( 3.537 -2.902 -0.243) 4.581 4.459 ( 6.077 7.491 -2.587) 9.987 4.502 ( 6.921 2.718 2.061) 7.715 4.588 ( -6.974 1.664 0.510) 7.188 4.713 ( -2.617 -8.534 -1.277) 9.017 4.941 ( -1.834 5.168 2.212) 5.913 5.079 ( -2.795 -7.429 9.000) 12.000 5.531 ( 5.254 8.119 -0.032) 9.671 5.621 ( 2.837 2.433 4.164) 5.595 5.869 ( -1.183 -0.958 -0.579) 1.628 6.000 ( -1.678 -10.643 3.276) 11.262 6.376 ( 6.439 9.706 -1.579) 11.754 6.564 ( 7.893 -8.822 -1.778) 11.970 7.031 ( 12.819 8.473 2.977) 15.652 7.188 ( 13.682 -5.769 1.531) 14.927 7.247 ( -9.191 3.994 -1.970) 10.213 7.358 ( -13.176 -5.234 -0.959) 14.210 7.732 ( 2.273 2.514 3.496) 4.869 7.785 ( 1.744 -2.610 -1.068) 3.316 8.253 ( -3.320 7.067 0.648) 7.835 8.317 ( -4.784 2.009 4.878) 7.121 8.490 ( 1.926 5.730 -6.020) 8.531 8.626 ( -2.721 -5.835 -4.285) 7.734 8.779 ( -1.994 11.522 2.024) 11.867 8.942 ( -6.266 -4.079 3.221) 8.141 9.111 ( -12.433 2.850 -4.173) 13.421 9.243 ( -13.294 -9.461 -7.385) 17.910 9.868 ( 9.437 13.771 0.119) 16.695 10.124 ( 12.041 -9.595 -3.546) 15.799 10.232 ( 1.161 9.919 -4.303) 10.874 10.455 ( 3.170 -12.266 -5.684) 13.885 12.646 ( 2.297 9.139 3.995) 10.235 12.826 ( 1.889 -6.259 -0.624) 6.567 12.981 ( -6.650 3.608 2.185) 7.875 13.135 ( -5.694 -8.835 0.700) 10.535 ======================= Grid point 171 (64/96) ======================= q-point: ( 0.43 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 10.894 6.672 3.404) 13.221 1.760 ( 6.520 -2.886 1.896) 7.378 1.882 ( -6.489 0.347 2.514) 6.968 1.910 ( -4.569 -1.697 3.429) 5.960 2.447 ( 2.685 14.613 7.042) 16.442 2.520 ( -2.466 9.795 7.978) 12.872 2.770 ( -0.616 -12.749 8.542) 15.358 2.836 ( -5.209 -14.829 6.659) 17.070 3.446 ( 6.375 9.357 0.437) 11.331 3.516 ( 1.958 6.415 -0.096) 6.708 3.677 ( 1.946 -5.328 2.281) 6.114 3.736 ( -1.295 -8.770 1.410) 8.976 4.223 ( 5.119 4.715 -1.310) 7.081 4.304 ( 3.574 -0.677 -0.161) 3.641 4.397 ( -6.654 1.031 -3.411) 7.548 4.476 ( -7.284 -3.580 3.375) 8.790 4.676 ( 9.503 7.141 4.117) 12.579 4.791 ( 5.510 -1.491 0.567) 5.737 4.875 ( -2.426 1.106 4.979) 5.648 4.986 ( -6.050 -6.624 6.294) 10.959 5.641 ( 4.484 10.014 5.561) 12.301 5.684 ( 1.384 10.229 7.097) 12.526 5.870 ( 1.743 -8.161 1.866) 8.551 5.941 ( -3.818 -10.588 3.562) 11.805 6.602 ( 13.838 9.625 -4.709) 17.502 6.779 ( 11.751 -7.990 -3.292) 14.586 6.915 ( -14.518 7.477 -2.824) 16.572 7.054 ( -13.631 -6.041 -1.906) 15.031 7.364 ( 13.664 7.835 -0.034) 15.751 7.506 ( 11.460 -4.676 -0.037) 12.377 7.646 ( -8.831 3.492 1.717) 9.650 7.741 ( -7.139 -4.583 -0.548) 8.501 8.335 ( 9.416 4.287 -0.444) 10.356 8.353 ( 8.424 3.575 2.153) 9.402 8.495 ( -3.173 4.649 -2.161) 6.030 8.556 ( -6.501 0.020 -3.656) 7.458 8.738 ( -1.220 7.349 0.569) 7.471 8.786 ( -6.370 1.864 0.741) 6.679 8.899 ( -4.032 -5.774 -0.391) 7.053 8.985 ( -9.644 -10.878 -3.153) 14.875 10.059 ( 8.123 14.674 -1.004) 16.802 10.196 ( -4.393 13.117 -2.575) 14.070 10.344 ( 8.229 -12.261 -3.831) 15.256 10.462 ( -2.678 -12.773 -4.775) 13.896 12.704 ( 3.339 10.502 3.050) 11.434 12.791 ( -4.619 9.875 2.194) 11.120 12.941 ( 2.633 -11.156 -0.137) 11.464 13.023 ( -4.697 -11.130 0.123) 12.082 ======================= Grid point 196 (65/96) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.000 0.000 12.345) 12.345 1.684 ( 0.000 0.000 15.072) 15.072 1.897 ( 0.000 0.000 5.202) 5.202 2.115 ( 0.000 0.000 -7.547) 7.547 2.687 ( 0.000 0.000 16.652) 16.652 2.985 ( 0.000 0.000 -6.528) 6.528 3.133 ( 0.000 0.000 6.390) 6.390 3.252 ( 0.000 0.000 9.864) 9.864 3.324 ( 0.000 0.000 -2.438) 2.438 3.402 ( 0.000 0.000 8.346) 8.346 3.416 ( 0.000 0.000 15.770) 15.770 3.610 ( 0.000 0.000 -12.857) 12.857 3.681 ( 0.000 0.000 14.963) 14.963 3.742 ( 0.000 0.000 -4.912) 4.912 4.120 ( 0.000 0.000 -10.369) 10.369 4.216 ( 0.000 0.000 -10.469) 10.469 4.520 ( 0.000 0.000 -13.667) 13.667 4.814 ( 0.000 0.000 5.803) 5.803 4.937 ( 0.000 0.000 9.849) 9.849 5.211 ( 0.000 0.000 -0.471) 0.471 5.231 ( 0.000 0.000 -21.710) 21.710 5.398 ( 0.000 0.000 -0.669) 0.669 6.266 ( 0.000 0.000 4.518) 4.518 6.267 ( 0.000 0.000 8.988) 8.988 6.600 ( 0.000 0.000 12.280) 12.280 6.626 ( 0.000 0.000 -3.349) 3.349 7.032 ( 0.000 0.000 1.381) 1.381 7.059 ( 0.000 0.000 1.144) 1.144 7.328 ( 0.000 0.000 0.649) 0.649 7.331 ( 0.000 0.000 -9.393) 9.393 7.392 ( 0.000 0.000 0.140) 0.140 7.570 ( 0.000 0.000 -5.454) 5.454 8.033 ( 0.000 0.000 11.640) 11.640 8.054 ( 0.000 0.000 0.971) 0.971 8.337 ( 0.000 0.000 5.182) 5.182 8.627 ( 0.000 0.000 -13.609) 13.609 8.853 ( 0.000 0.000 4.279) 4.279 8.986 ( 0.000 0.000 4.236) 4.236 9.165 ( 0.000 0.000 -13.651) 13.651 9.238 ( 0.000 0.000 -2.079) 2.079 9.626 ( 0.000 0.000 7.499) 7.499 9.841 ( 0.000 0.000 7.497) 7.497 10.136 ( 0.000 0.000 -3.258) 3.258 10.549 ( 0.000 0.000 -13.662) 13.662 12.471 ( 0.000 0.000 7.456) 7.456 12.993 ( 0.000 0.000 -9.604) 9.604 13.300 ( 0.000 0.000 8.026) 8.026 13.534 ( 0.000 0.000 1.597) 1.597 ======================= Grid point 197 (66/96) ======================= q-point: ( 0.14 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -8.406 0.000 16.384) 18.414 1.552 ( 4.450 0.000 11.910) 12.714 1.882 ( -2.207 0.000 2.582) 3.397 2.098 ( -1.748 0.000 -4.996) 5.293 2.638 ( -7.144 0.000 11.732) 13.736 2.878 ( -5.372 0.000 -0.458) 5.391 3.170 ( -0.843 0.000 -4.208) 4.291 3.244 ( -15.415 0.000 4.444) 16.042 3.367 ( 5.419 0.000 7.056) 8.897 3.392 ( 9.757 0.000 13.180) 16.399 3.442 ( 10.699 0.000 3.675) 11.313 3.761 ( 7.428 0.000 10.303) 12.701 3.777 ( 3.904 0.000 -6.495) 7.578 3.923 ( 20.606 0.000 1.327) 20.649 4.146 ( 2.177 0.000 -7.354) 7.670 4.196 ( -1.914 0.000 -9.735) 9.922 4.592 ( 4.941 0.000 -9.183) 10.427 4.849 ( 4.726 0.000 7.247) 8.652 4.933 ( -0.258 0.000 9.819) 9.823 5.141 ( -7.075 0.000 -17.696) 19.058 5.291 ( 6.887 0.000 0.055) 6.888 5.436 ( 2.156 0.000 -3.012) 3.704 6.104 ( -13.129 0.000 1.847) 13.258 6.132 ( -7.513 0.000 9.802) 12.350 6.464 ( -12.341 0.000 -4.082) 12.999 6.759 ( 9.895 0.000 3.846) 10.616 6.968 ( 0.595 0.000 2.261) 2.338 7.104 ( -11.405 0.000 -2.714) 11.724 7.297 ( 10.380 0.000 -5.471) 11.733 7.471 ( 4.196 0.000 -5.053) 6.568 7.476 ( 10.209 0.000 5.315) 11.509 7.736 ( 13.314 0.000 -2.224) 13.499 7.958 ( -5.192 0.000 8.614) 10.058 8.033 ( -4.336 0.000 3.137) 5.352 8.253 ( -5.531 0.000 6.654) 8.653 8.626 ( -0.221 0.000 -8.163) 8.166 8.767 ( -6.875 0.000 1.835) 7.115 8.960 ( -2.582 0.000 3.415) 4.281 9.107 ( -5.382 0.000 -12.155) 13.293 9.179 ( -5.464 0.000 -1.740) 5.734 9.767 ( 11.794 0.000 3.199) 12.220 9.832 ( -0.715 0.000 6.893) 6.930 10.109 ( -2.467 0.000 -2.931) 3.831 10.585 ( 2.681 0.000 -14.080) 14.333 12.510 ( 3.309 0.000 7.576) 8.268 12.998 ( -0.026 0.000 -6.882) 6.882 13.255 ( -3.540 0.000 6.646) 7.530 13.506 ( -2.472 0.000 1.003) 2.667 ======================= Grid point 198 (67/96) ======================= q-point: ( 0.29 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 3.388 0.000 13.001) 13.435 1.677 ( 6.787 0.000 10.396) 12.416 1.832 ( -1.376 0.000 -0.677) 1.534 2.038 ( -3.792 0.000 0.053) 3.792 2.418 ( -12.156 0.000 8.547) 14.860 2.817 ( -0.191 0.000 0.513) 0.547 2.834 ( -21.314 0.000 0.514) 21.320 3.103 ( -4.859 0.000 -1.723) 5.156 3.529 ( 8.400 0.000 3.613) 9.144 3.594 ( 7.379 0.000 7.388) 10.442 3.693 ( 11.486 0.000 1.975) 11.655 3.906 ( 6.564 0.000 2.157) 6.909 3.994 ( 14.412 0.000 1.771) 14.520 4.137 ( -3.552 0.000 -7.720) 8.498 4.167 ( 0.344 0.000 -0.174) 0.385 4.349 ( 15.705 0.000 6.784) 17.108 4.673 ( 3.140 0.000 8.398) 8.966 4.926 ( -3.043 0.000 -2.705) 4.071 4.971 ( -5.727 0.000 -2.769) 6.361 5.063 ( 14.856 0.000 0.145) 14.856 5.428 ( -5.055 0.000 3.857) 6.358 5.466 ( 8.245 0.000 2.641) 8.657 5.832 ( -8.739 0.000 -7.138) 11.284 6.056 ( 1.483 0.000 4.965) 5.182 6.188 ( -12.581 0.000 -7.242) 14.517 6.801 ( -9.074 0.000 -15.989) 18.385 6.997 ( 4.067 0.000 10.368) 11.138 7.045 ( 5.993 0.000 3.890) 7.145 7.381 ( -0.074 0.000 -4.885) 4.886 7.476 ( -5.346 0.000 -5.718) 7.828 7.842 ( 20.385 0.000 6.187) 21.304 7.848 ( -4.495 0.000 3.259) 5.552 7.887 ( -5.741 0.000 4.600) 7.356 8.051 ( 15.225 0.000 0.444) 15.231 8.183 ( -1.097 0.000 8.357) 8.428 8.565 ( -7.037 0.000 -0.358) 7.046 8.669 ( -0.119 0.000 -3.469) 3.471 8.869 ( -6.068 0.000 1.630) 6.283 8.952 ( -8.381 0.000 -7.444) 11.210 9.011 ( -10.222 0.000 -1.183) 10.290 9.823 ( 0.279 0.000 5.145) 5.153 10.037 ( -4.199 0.000 -1.950) 4.629 10.058 ( 14.401 0.000 -3.936) 14.929 10.619 ( -0.371 0.000 -14.545) 14.550 12.594 ( 4.303 0.000 8.331) 9.377 12.950 ( -5.088 0.000 3.682) 6.280 13.211 ( 0.586 0.000 -0.960) 1.125 13.437 ( -3.822 0.000 -0.661) 3.878 ======================= Grid point 199 (68/96) ======================= q-point: ( 0.43 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 11.418 0.000 7.494) 13.657 1.820 ( 6.411 0.000 7.705) 10.023 1.825 ( -1.941 0.000 1.441) 2.417 1.943 ( -5.124 0.000 4.296) 6.687 2.208 ( -3.270 0.000 2.430) 4.074 2.398 ( -17.887 0.000 -1.652) 17.963 2.865 ( 4.356 0.000 1.036) 4.478 2.982 ( -6.141 0.000 0.703) 6.181 3.672 ( 5.480 0.000 4.129) 6.861 3.727 ( 2.401 0.000 4.854) 5.415 3.902 ( 8.146 0.000 -1.180) 8.231 3.993 ( 4.263 0.000 4.087) 5.905 4.044 ( -5.366 0.000 -4.682) 7.121 4.118 ( -5.263 0.000 1.457) 5.461 4.346 ( 17.685 0.000 -6.271) 18.764 4.597 ( 8.473 0.000 14.118) 16.466 4.695 ( -14.309 0.000 -13.359) 19.576 4.706 ( -1.413 0.000 16.272) 16.333 5.018 ( 5.907 0.000 11.034) 12.516 5.212 ( -11.929 0.000 10.720) 16.038 5.393 ( 13.340 0.000 -0.798) 13.364 5.555 ( -1.436 0.000 3.318) 3.616 5.805 ( 4.252 0.000 -12.703) 13.396 5.953 ( -9.242 0.000 -10.615) 14.074 6.229 ( 14.354 0.000 0.720) 14.372 6.560 ( -14.013 0.000 -7.356) 15.826 7.084 ( 4.925 0.000 1.534) 5.158 7.193 ( 7.257 0.000 3.243) 7.949 7.262 ( -11.497 0.000 -3.824) 12.116 7.327 ( -4.825 0.000 0.038) 4.825 7.811 ( 0.453 0.000 -0.838) 0.953 7.830 ( -1.104 0.000 -0.131) 1.112 8.222 ( 5.352 0.000 5.474) 7.656 8.254 ( 16.578 0.000 4.709) 17.234 8.340 ( 10.015 0.000 2.934) 10.435 8.388 ( -9.026 0.000 -0.423) 9.036 8.703 ( 2.839 0.000 -0.752) 2.936 8.710 ( -7.516 0.000 -0.438) 7.529 8.763 ( -11.707 0.000 -1.280) 11.777 8.793 ( -5.937 0.000 -1.408) 6.102 9.857 ( 2.953 0.000 2.431) 3.825 9.941 ( -4.579 0.000 -0.190) 4.583 10.344 ( 11.994 0.000 -9.871) 15.533 10.546 ( -6.644 0.000 -13.497) 15.043 12.691 ( 5.041 0.000 9.497) 10.752 12.815 ( -6.577 0.000 9.254) 11.353 13.265 ( 3.730 0.000 -3.916) 5.409 13.351 ( -4.160 0.000 -2.717) 4.969 ======================= Grid point 203 (69/96) ======================= q-point: ( 0.00 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 0.000 0.926 9.285) 9.332 1.635 ( 0.000 -4.373 12.757) 13.486 1.950 ( 0.000 2.663 5.224) 5.863 2.099 ( 0.000 -1.071 -4.824) 4.942 2.597 ( 0.000 -4.592 18.710) 19.265 2.838 ( 0.000 -11.981 -1.061) 12.027 3.205 ( 0.000 -2.261 -7.956) 8.272 3.286 ( 0.000 2.655 10.813) 11.134 3.292 ( 0.000 5.832 15.418) 16.484 3.480 ( 0.000 2.479 9.914) 10.219 3.484 ( 0.000 4.424 5.394) 6.976 3.615 ( 0.000 2.764 -8.755) 9.181 3.754 ( 0.000 1.504 -4.763) 4.994 3.773 ( 0.000 7.152 8.609) 11.192 4.098 ( 0.000 -0.700 -7.368) 7.401 4.143 ( 0.000 -5.715 -11.175) 12.552 4.539 ( 0.000 0.969 -12.102) 12.141 4.886 ( 0.000 6.716 5.695) 8.806 4.962 ( 0.000 2.391 8.314) 8.651 5.047 ( 0.000 -7.988 -8.217) 11.460 5.413 ( 0.000 9.680 -12.036) 15.445 5.424 ( 0.000 2.073 -0.990) 2.297 6.133 ( 0.000 -6.670 5.891) 8.899 6.407 ( 0.000 5.220 6.212) 8.114 6.429 ( 0.000 -8.943 6.212) 10.888 6.702 ( 0.000 -1.604 3.229) 3.605 6.925 ( 0.000 -6.800 1.425) 6.947 7.015 ( 0.000 -13.071 5.367) 14.130 7.125 ( 0.000 5.071 -2.793) 5.789 7.398 ( 0.000 5.207 -10.664) 11.867 7.647 ( 0.000 6.424 -2.039) 6.740 7.659 ( 0.000 10.637 3.118) 11.084 8.072 ( 0.000 1.863 -0.285) 1.884 8.112 ( 0.000 7.946 6.487) 10.258 8.396 ( 0.000 5.857 4.430) 7.344 8.592 ( 0.000 -2.725 -9.549) 9.930 8.797 ( 0.000 -2.998 3.011) 4.250 8.960 ( 0.000 -1.091 -5.786) 5.888 9.252 ( 0.000 6.651 -6.309) 9.168 9.323 ( 0.000 5.796 -1.886) 6.096 9.668 ( 0.000 4.023 8.075) 9.022 9.796 ( 0.000 -4.376 6.864) 8.140 10.091 ( 0.000 -4.439 -3.751) 5.811 10.517 ( 0.000 -3.549 -12.252) 12.756 12.489 ( 0.000 2.092 6.517) 6.844 12.947 ( 0.000 -4.256 -8.566) 9.565 13.279 ( 0.000 -2.015 7.374) 7.644 13.505 ( 0.000 -2.923 1.266) 3.185 ======================= Grid point 204 (70/96) ======================= q-point: ( 0.14 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -3.396 -1.485 13.019) 13.537 1.596 ( 1.734 1.058 9.521) 9.735 1.922 ( -2.292 3.976 4.300) 6.289 2.093 ( -1.063 -0.389 -3.015) 3.221 2.544 ( -5.341 -6.137 13.570) 15.822 2.831 ( -1.526 -7.079 1.101) 7.324 3.171 ( -2.111 1.953 -1.924) 3.460 3.280 ( -11.870 2.825 2.376) 12.431 3.368 ( 5.238 -1.749 5.023) 7.465 3.447 ( 4.968 4.182 2.335) 6.900 3.472 ( 8.313 2.714 14.376) 16.827 3.731 ( 3.302 -2.190 0.355) 3.978 3.834 ( 6.460 4.679 3.901) 8.879 3.979 ( 19.156 4.879 0.892) 19.788 4.072 ( 0.082 -3.178 -10.382) 10.858 4.202 ( 3.193 -0.790 -5.761) 6.634 4.596 ( 4.365 -0.091 -8.803) 9.826 4.864 ( -0.207 2.579 9.214) 9.571 5.012 ( 2.290 2.871 -2.746) 4.585 5.039 ( -0.510 -3.103 -1.210) 3.369 5.390 ( 1.121 6.048 -2.097) 6.499 5.475 ( 2.135 3.778 -5.485) 6.994 6.039 ( -6.595 -4.869 5.219) 9.718 6.195 ( -12.207 3.951 4.771) 13.688 6.428 ( -7.626 -4.360 -1.931) 8.994 6.685 ( 3.794 -5.637 2.217) 7.147 6.978 ( 1.661 -4.517 6.146) 7.806 7.049 ( -1.475 0.712 -3.605) 3.959 7.247 ( 12.736 -5.270 2.003) 13.928 7.394 ( -0.521 3.209 -9.772) 10.299 7.651 ( 3.916 6.278 2.945) 7.963 7.808 ( 9.279 4.873 0.975) 10.526 8.000 ( -3.966 4.616 2.969) 6.771 8.085 ( -4.903 5.697 0.818) 7.561 8.321 ( -4.528 6.414 6.664) 10.298 8.585 ( -1.775 -3.282 -2.834) 4.686 8.712 ( -5.435 -1.982 -2.882) 6.463 8.949 ( -1.325 -0.571 -2.830) 3.177 9.183 ( -6.197 5.313 -4.741) 9.439 9.287 ( -4.265 8.411 -3.050) 9.911 9.790 ( 0.057 -3.783 6.284) 7.335 9.800 ( 10.906 2.884 3.994) 11.967 10.073 ( -1.685 -3.444 -3.342) 5.086 10.558 ( 3.015 -3.192 -12.692) 13.430 12.521 ( 2.755 1.480 6.661) 7.358 12.953 ( 0.217 -4.101 -6.548) 7.729 13.231 ( -3.878 -2.298 6.534) 7.938 13.475 ( -2.642 -3.118 0.745) 4.154 ======================= Grid point 205 (71/96) ======================= q-point: ( 0.29 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 3.362 -0.252 12.305) 12.758 1.705 ( 6.886 1.280 4.324) 8.232 1.877 ( -1.292 5.674 3.738) 6.916 2.041 ( -3.555 0.092 0.714) 3.627 2.389 ( -9.431 -2.195 9.201) 13.358 2.738 ( -8.813 -3.664 3.126) 10.043 2.961 ( -11.230 7.921 -1.974) 13.883 3.137 ( -3.059 2.971 0.288) 4.274 3.505 ( 6.672 -5.234 3.761) 9.276 3.575 ( 6.882 -3.679 4.490) 9.003 3.643 ( 5.805 -0.113 4.066) 7.088 3.882 ( 7.770 -4.637 -1.881) 9.242 4.005 ( 9.321 2.280 3.286) 10.142 4.086 ( 2.126 0.803 -5.408) 5.866 4.249 ( 1.876 2.821 0.196) 3.393 4.392 ( 15.229 3.904 5.979) 16.820 4.686 ( 4.173 0.824 5.951) 7.315 4.865 ( -4.966 -4.688 -10.316) 12.372 4.952 ( 0.201 -0.670 5.294) 5.340 5.161 ( 10.026 7.947 3.526) 13.270 5.426 ( -2.414 0.860 4.978) 5.599 5.516 ( 3.675 3.189 0.778) 4.927 5.875 ( -6.947 2.811 -5.743) 9.441 6.065 ( 1.743 2.157 3.756) 4.669 6.214 ( -10.166 1.506 -6.017) 11.908 6.763 ( -2.051 -4.346 -13.749) 14.565 6.943 ( 2.548 -1.946 8.443) 9.031 7.075 ( 1.527 1.191 4.653) 5.040 7.359 ( -3.199 -1.869 -4.918) 6.158 7.449 ( 2.174 -2.581 -4.193) 5.383 7.784 ( 3.884 -2.143 2.531) 5.108 7.861 ( -4.525 -1.525 5.929) 7.613 7.959 ( 3.042 6.685 1.639) 7.525 8.115 ( 12.919 5.902 -2.952) 14.507 8.262 ( -1.252 6.421 9.050) 11.167 8.488 ( -5.401 -3.397 1.759) 6.619 8.673 ( 0.736 0.681 -3.296) 3.445 8.892 ( -4.125 0.459 -2.257) 4.725 9.002 ( -10.428 3.840 -2.618) 11.417 9.131 ( -10.020 9.838 -2.669) 14.294 9.795 ( 1.154 -2.355 5.268) 5.885 10.017 ( -3.010 -1.366 -1.865) 3.795 10.084 ( 13.629 2.162 -3.817) 14.317 10.602 ( 0.248 -2.148 -13.239) 13.414 12.592 ( 3.632 0.157 7.439) 8.280 12.917 ( -4.447 -2.995 2.438) 5.889 13.174 ( -0.023 -3.528 0.159) 3.532 13.401 ( -4.067 -3.580 -0.729) 5.467 ======================= Grid point 206 (72/96) ======================= q-point: ( 0.43 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 11.342 -0.598 7.528) 13.626 1.819 ( -0.745 -0.486 1.403) 1.661 1.890 ( 3.112 5.444 5.885) 8.600 1.951 ( -4.346 0.372 2.915) 5.246 2.219 ( -1.728 1.673 3.426) 4.186 2.414 ( -16.570 1.974 -0.281) 16.689 2.928 ( 4.054 6.003 1.775) 7.459 3.040 ( -5.582 5.493 2.624) 8.259 3.626 ( 4.127 -8.349 4.064) 10.161 3.663 ( 1.047 -10.505 3.232) 11.040 3.790 ( 7.367 -0.576 0.246) 7.393 3.912 ( -3.389 -1.693 -1.307) 4.008 4.123 ( 3.317 4.165 0.480) 5.346 4.192 ( -0.830 0.664 0.605) 1.223 4.343 ( 12.766 0.351 -5.948) 14.088 4.623 ( 3.514 1.647 9.024) 9.823 4.647 ( -8.823 -3.136 -8.221) 12.460 4.733 ( -1.260 2.732 15.338) 15.630 5.057 ( 7.575 2.574 9.381) 12.329 5.254 ( -10.065 2.590 9.497) 14.079 5.422 ( 10.923 3.638 0.485) 11.523 5.564 ( -1.726 1.803 3.867) 4.603 5.854 ( 4.223 4.130 -10.641) 12.171 5.995 ( -8.283 3.470 -9.313) 12.938 6.263 ( 13.883 3.267 0.702) 14.279 6.581 ( -13.280 2.198 -7.026) 15.184 7.107 ( 8.888 1.003 2.122) 9.192 7.114 ( 4.621 -5.423 2.280) 7.480 7.246 ( -7.074 -3.579 -1.807) 8.132 7.327 ( -10.213 2.436 -2.100) 10.708 7.783 ( -0.309 -2.942 -3.976) 4.956 7.789 ( -0.988 -3.777 -1.699) 4.258 8.226 ( 11.868 0.691 4.043) 12.557 8.292 ( 5.949 4.099 7.311) 10.278 8.345 ( 2.035 0.714 1.821) 2.822 8.402 ( 0.251 2.638 3.621) 4.487 8.701 ( 1.070 0.148 -1.063) 1.516 8.777 ( -7.047 -0.668 -3.169) 7.755 8.802 ( -3.806 6.665 -0.522) 7.693 8.898 ( -10.419 10.058 -1.242) 14.535 9.846 ( 3.509 -0.587 2.678) 4.453 9.933 ( -4.378 -0.175 -0.049) 4.382 10.358 ( 11.317 1.037 -9.216) 14.632 10.544 ( -5.873 -0.587 -12.432) 13.762 12.676 ( 4.549 -1.087 8.592) 9.783 12.791 ( -6.226 -1.986 8.260) 10.533 13.222 ( 3.713 -4.198 -3.376) 6.542 13.311 ( -4.353 -4.038 -2.534) 6.456 ======================= Grid point 210 (73/96) ======================= q-point: ( 0.00 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.000 -3.517 9.883) 10.490 1.555 ( 0.000 3.581 5.142) 6.266 1.934 ( 0.000 -2.685 8.323) 8.746 2.101 ( 0.000 1.771 0.156) 1.778 2.565 ( 0.000 -1.414 14.857) 14.925 2.566 ( 0.000 -14.479 2.583) 14.708 3.139 ( 0.000 -0.701 -7.286) 7.320 3.342 ( 0.000 2.552 11.268) 11.554 3.410 ( 0.000 3.467 10.025) 10.607 3.502 ( 0.000 0.909 13.497) 13.527 3.507 ( 0.000 -0.985 1.673) 1.942 3.691 ( 0.000 0.584 -4.037) 4.079 3.812 ( 0.000 4.221 -4.365) 6.072 3.893 ( 0.000 3.467 2.070) 4.038 4.101 ( 0.000 4.759 -7.703) 9.054 4.144 ( 0.000 5.148 -4.813) 7.048 4.535 ( 0.000 -1.439 -10.163) 10.265 4.876 ( 0.000 -9.277 -10.331) 13.885 5.038 ( 0.000 4.762 10.304) 11.351 5.059 ( 0.000 9.874 5.677) 11.390 5.450 ( 0.000 0.087 -0.214) 0.231 5.612 ( 0.000 10.519 -9.672) 14.289 5.962 ( 0.000 -11.156 6.313) 12.818 6.278 ( 0.000 -6.505 7.370) 9.830 6.429 ( 0.000 -2.258 1.706) 2.830 6.530 ( 0.000 -11.896 -1.675) 12.013 6.839 ( 0.000 -4.030 6.176) 7.374 6.858 ( 0.000 -1.491 4.944) 5.164 7.315 ( 0.000 12.311 -0.436) 12.319 7.504 ( 0.000 5.180 -11.482) 12.596 7.760 ( 0.000 3.482 6.015) 6.950 7.777 ( 0.000 2.025 6.951) 7.240 8.136 ( 0.000 4.653 -4.902) 6.759 8.280 ( 0.000 5.360 -5.567) 7.728 8.569 ( 0.000 11.094 3.958) 11.779 8.589 ( 0.000 4.649 -0.385) 4.665 8.785 ( 0.000 1.637 -0.341) 1.672 8.960 ( 0.000 0.927 -11.380) 11.418 9.371 ( 0.000 3.867 -0.698) 3.930 9.409 ( 0.000 2.477 -0.041) 2.477 9.688 ( 0.000 -5.108 3.722) 6.320 9.754 ( 0.000 3.037 6.163) 6.871 9.980 ( 0.000 -5.280 -5.172) 7.391 10.389 ( 0.000 -9.404 -9.081) 13.073 12.566 ( 0.000 5.528 4.834) 7.343 12.849 ( 0.000 -4.865 -5.084) 7.037 13.231 ( 0.000 -2.281 5.045) 5.537 13.418 ( 0.000 -5.561 0.354) 5.573 ======================= Grid point 211 (74/96) ======================= q-point: ( 0.14 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -2.626 0.628 11.012) 11.338 1.610 ( 3.540 0.735 3.822) 5.261 1.996 ( 3.669 2.286 7.259) 8.449 2.094 ( -1.338 0.747 1.496) 2.141 2.469 ( -5.351 -1.033 11.782) 12.981 2.643 ( 4.599 -10.020 4.185) 11.793 3.183 ( 3.707 -1.606 -6.135) 7.346 3.298 ( -7.254 -3.783 1.146) 8.261 3.355 ( -5.270 3.600 4.589) 7.861 3.497 ( -0.792 -0.795 3.634) 3.804 3.519 ( 6.832 2.914 15.336) 17.040 3.680 ( -1.339 -2.705 1.015) 3.185 3.936 ( 8.537 4.826 1.532) 9.926 4.079 ( 13.484 5.458 -3.524) 14.967 4.104 ( 4.826 5.302 -4.577) 8.505 4.211 ( 4.533 2.622 -3.425) 6.257 4.574 ( 3.377 -2.118 -7.268) 8.289 4.844 ( -2.987 -8.279 -11.896) 14.798 4.990 ( -0.582 6.540 13.303) 14.835 5.183 ( 6.917 8.450 5.516) 12.234 5.451 ( 0.058 -0.015 0.863) 0.865 5.604 ( -0.904 8.682 -4.992) 10.056 5.903 ( -3.262 -8.835 4.006) 10.234 6.266 ( -7.993 3.131 2.447) 8.926 6.287 ( -2.395 -9.144 1.811) 9.624 6.555 ( 1.955 -7.086 -1.776) 7.563 6.899 ( 3.003 -1.780 5.836) 6.800 7.007 ( 11.725 -4.822 0.764) 12.701 7.276 ( -2.737 7.071 0.175) 7.584 7.472 ( -3.853 3.678 -10.080) 11.401 7.739 ( 1.127 2.776 6.539) 7.193 7.846 ( 2.612 -0.740 6.671) 7.202 8.129 ( 0.762 7.350 -6.104) 9.585 8.230 ( -4.806 6.240 -4.321) 8.983 8.480 ( -5.210 8.476 6.616) 11.948 8.596 ( -2.765 6.503 0.413) 7.079 8.703 ( -3.626 0.234 -3.208) 4.847 8.967 ( -0.357 2.610 -6.928) 7.412 9.272 ( -7.550 2.800 0.573) 8.073 9.410 ( -3.370 1.755 -4.051) 5.554 9.703 ( 1.858 -3.175 5.326) 6.473 9.864 ( 10.055 2.096 2.982) 10.696 10.003 ( 1.658 -1.907 -4.332) 5.015 10.438 ( 3.900 -8.900 -9.448) 13.553 12.584 ( 1.530 4.866 4.883) 7.061 12.859 ( 0.752 -4.685 -4.549) 6.574 13.176 ( -4.680 -2.640 5.137) 7.434 13.383 ( -3.192 -6.008 0.040) 6.804 ======================= Grid point 212 (75/96) ======================= q-point: ( 0.29 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 3.995 3.058 9.802) 11.018 1.705 ( 5.154 -0.928 0.680) 5.281 2.024 ( -1.975 3.667 4.926) 6.451 2.046 ( -1.927 2.907 2.631) 4.369 2.370 ( -4.655 2.020 8.989) 10.323 2.683 ( -3.120 -1.710 4.826) 5.996 3.109 ( -7.907 5.831 -3.918) 10.577 3.184 ( -2.039 -0.411 8.016) 8.282 3.368 ( 4.329 -5.649 -0.998) 7.186 3.430 ( -2.628 -8.210 2.692) 9.030 3.672 ( 5.797 1.359 3.967) 7.155 3.781 ( 10.086 -5.458 -0.714) 11.490 4.097 ( 3.772 6.067 4.211) 8.292 4.120 ( 1.713 2.882 -7.361) 8.088 4.286 ( 3.651 1.184 0.129) 3.840 4.484 ( 15.188 4.732 4.706) 16.590 4.682 ( 7.147 -1.464 3.242) 7.984 4.747 ( -6.347 -7.041 -12.870) 15.984 4.991 ( 0.738 4.813 13.489) 14.341 5.337 ( 6.703 7.359 5.607) 11.425 5.421 ( -2.931 -0.699 3.656) 4.737 5.608 ( 2.728 6.011 2.733) 7.144 5.877 ( 0.295 -2.305 -2.921) 3.733 6.177 ( 0.384 7.940 0.741) 7.984 6.197 ( -4.260 -3.900 -2.422) 6.263 6.641 ( 5.247 -6.870 -8.006) 11.782 6.965 ( 2.079 3.717 4.716) 6.355 7.096 ( -3.129 1.401 -0.242) 3.437 7.310 ( -1.157 -3.399 -3.567) 5.061 7.377 ( 2.218 -4.168 -2.424) 5.307 7.768 ( -0.263 0.371 0.640) 0.785 7.836 ( -5.323 -1.023 4.050) 6.766 8.098 ( -0.319 7.223 -1.736) 7.436 8.250 ( 7.619 6.388 -5.390) 11.309 8.388 ( -2.616 6.067 8.842) 11.038 8.516 ( -2.212 5.294 3.063) 6.504 8.693 ( 0.808 1.705 -0.643) 1.994 8.915 ( -4.902 2.074 -4.601) 7.035 9.069 ( -10.537 2.414 0.721) 10.834 9.260 ( -9.768 0.217 -3.945) 10.537 9.771 ( 4.343 1.505 4.852) 6.683 10.021 ( -0.476 2.957 -2.591) 3.960 10.122 ( 12.727 0.811 -2.788) 13.054 10.511 ( 2.042 -7.288 -9.862) 12.431 12.623 ( 2.067 3.417 5.296) 6.633 12.854 ( -2.207 -2.593 -0.326) 3.421 13.083 ( -2.281 -5.005 2.339) 5.977 13.295 ( -4.764 -6.982 -0.907) 8.501 ======================= Grid point 213 (76/96) ======================= q-point: ( 0.43 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 10.648 2.450 5.880) 12.408 1.809 ( 2.487 -0.496 0.942) 2.705 1.932 ( -5.072 -0.913 1.708) 5.430 1.981 ( -4.882 1.167 2.019) 5.410 2.321 ( 2.860 9.489 5.540) 11.354 2.494 ( -11.600 6.265 2.756) 13.469 3.069 ( 3.144 5.426 4.335) 7.624 3.149 ( -2.908 0.756 7.753) 8.315 3.400 ( 0.385 -8.033 -1.114) 8.119 3.413 ( -0.154 -9.365 -0.195) 9.368 3.823 ( 7.499 1.109 3.421) 8.316 3.928 ( 0.098 -2.183 1.343) 2.565 4.140 ( 2.458 -1.245 -1.808) 3.296 4.154 ( 1.211 -0.290 -3.246) 3.477 4.348 ( 4.435 -1.235 -4.292) 6.295 4.535 ( -11.093 -5.614 -9.635) 15.729 4.722 ( 8.205 5.969 11.965) 15.688 4.823 ( 0.464 5.933 13.143) 14.428 5.066 ( 7.463 -1.657 7.137) 10.458 5.249 ( -8.472 -3.189 7.143) 11.532 5.555 ( 8.560 8.817 2.876) 12.620 5.661 ( -0.449 7.362 6.211) 9.642 5.916 ( 4.164 0.834 -6.602) 7.849 6.045 ( -7.089 0.267 -5.759) 9.137 6.363 ( 13.228 6.955 0.308) 14.948 6.649 ( -9.458 4.285 -7.231) 12.653 6.951 ( 4.601 -8.034 1.877) 9.446 7.132 ( -8.263 -6.599 -2.118) 10.784 7.202 ( 8.600 6.132 0.342) 10.568 7.417 ( -6.443 5.331 -2.505) 8.730 7.691 ( -2.143 -5.133 -3.676) 6.667 7.725 ( -2.920 -2.407 -5.136) 6.380 8.259 ( 11.727 2.587 1.206) 12.069 8.391 ( 2.485 2.662 -0.717) 3.711 8.395 ( 2.638 5.892 9.734) 11.680 8.477 ( -3.108 4.514 5.565) 7.811 8.706 ( 0.024 0.678 0.276) 0.732 8.760 ( -6.922 -0.270 -2.162) 7.257 8.925 ( -0.870 3.612 -0.774) 3.795 9.039 ( -9.734 1.796 -2.579) 10.229 9.876 ( 5.194 4.855 2.564) 7.558 9.975 ( -3.747 5.395 -0.150) 6.570 10.362 ( 9.243 -1.497 -7.037) 11.713 10.499 ( -3.506 -4.581 -9.317) 10.958 12.676 ( 3.178 1.854 5.947) 6.994 12.765 ( -4.980 0.223 5.266) 7.252 13.104 ( 3.270 -7.498 -1.997) 8.420 13.192 ( -4.721 -7.717 -2.037) 9.273 ======================= Grid point 217 (77/96) ======================= q-point: ( 0.00 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 0.000 1.176 8.605) 8.685 1.572 ( 0.000 -2.485 6.064) 6.553 1.972 ( 0.000 7.810 9.912) 12.619 2.141 ( 0.000 -2.503 8.929) 9.273 2.326 ( 0.000 -4.138 -0.990) 4.255 2.444 ( 0.000 -9.454 4.582) 10.506 3.232 ( 0.000 8.336 -6.665) 10.673 3.360 ( 0.000 -2.214 2.003) 2.986 3.454 ( 0.000 1.236 10.135) 10.210 3.472 ( 0.000 -1.681 5.618) 5.864 3.526 ( 0.000 1.930 13.478) 13.616 3.607 ( 0.000 -5.996 5.949) 8.447 3.903 ( 0.000 4.042 -2.667) 4.842 3.941 ( 0.000 0.691 -3.293) 3.364 4.256 ( 0.000 4.702 -6.149) 7.741 4.258 ( 0.000 6.432 -4.209) 7.687 4.514 ( 0.000 1.826 -9.625) 9.797 4.668 ( 0.000 -10.969 -8.889) 14.119 5.146 ( 0.000 5.595 8.721) 10.362 5.209 ( 0.000 1.965 6.606) 6.892 5.478 ( 0.000 6.167 2.769) 6.760 5.702 ( 0.000 -13.683 4.983) 14.563 5.842 ( 0.000 12.488 -5.252) 13.548 6.100 ( 0.000 -12.272 1.173) 12.328 6.374 ( 0.000 -2.487 -0.424) 2.523 6.379 ( 0.000 -1.918 0.485) 1.978 6.809 ( 0.000 0.166 7.162) 7.164 6.828 ( 0.000 -1.445 6.560) 6.717 7.542 ( 0.000 8.440 -5.214) 9.921 7.593 ( 0.000 2.776 -12.696) 12.996 7.774 ( 0.000 -1.309 9.610) 9.699 7.775 ( 0.000 -1.166 13.017) 13.069 8.238 ( 0.000 4.711 -7.116) 8.534 8.302 ( 0.000 -1.558 -7.582) 7.740 8.731 ( 0.000 5.890 -0.049) 5.890 8.760 ( 0.000 3.839 2.958) 4.846 8.870 ( 0.000 8.332 -1.372) 8.444 8.981 ( 0.000 -0.304 -3.452) 3.466 9.361 ( 0.000 -2.465 -1.458) 2.864 9.397 ( 0.000 -3.811 -1.702) 4.174 9.669 ( 0.000 2.989 0.159) 2.994 9.740 ( 0.000 -3.332 1.489) 3.649 9.975 ( 0.000 5.629 -4.637) 7.293 10.165 ( 0.000 -11.868 -6.099) 13.344 12.684 ( 0.000 5.363 3.749) 6.544 12.767 ( 0.000 -3.475 0.265) 3.485 13.216 ( 0.000 1.476 1.249) 1.934 13.297 ( 0.000 -5.960 -0.442) 5.977 ======================= Grid point 218 (78/96) ======================= q-point: ( 0.14 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 1.010 3.533 8.020) 8.822 1.598 ( 2.390 -2.617 4.712) 5.896 2.040 ( 3.995 3.282 9.788) 11.070 2.101 ( -3.129 -1.256 8.052) 8.729 2.456 ( 6.556 -0.856 2.485) 7.063 2.489 ( 6.948 -4.423 3.570) 8.977 3.157 ( -1.021 1.501 -3.475) 3.921 3.234 ( -7.940 -4.218 -0.862) 9.032 3.405 ( -4.960 1.832 4.999) 7.277 3.446 ( -7.580 -2.507 5.760) 9.844 3.581 ( 5.692 2.781 9.277) 11.234 3.630 ( 1.514 -2.288 4.248) 5.057 4.038 ( 10.308 5.312 0.956) 11.635 4.118 ( 13.265 -1.769 2.076) 13.542 4.253 ( 1.050 6.913 -5.988) 9.206 4.288 ( 3.605 3.295 -5.424) 7.299 4.540 ( 2.266 0.460 -7.531) 7.878 4.654 ( -1.279 -9.515 -9.479) 13.492 5.153 ( 0.489 8.581 11.705) 14.522 5.283 ( 4.560 -1.986 7.397) 8.914 5.475 ( 0.174 6.327 3.113) 7.053 5.665 ( -2.867 -9.768 5.097) 11.385 5.834 ( 0.815 9.856 -4.153) 10.726 6.069 ( -1.893 -12.109 0.230) 12.258 6.337 ( -1.104 4.053 0.861) 4.288 6.430 ( 2.547 -5.272 -1.741) 6.108 6.891 ( 5.837 0.631 4.930) 7.666 6.925 ( 9.829 -2.958 3.247) 10.766 7.431 ( -9.014 6.942 -4.558) 12.256 7.511 ( -8.142 -0.615 -8.934) 12.104 7.774 ( 1.155 1.224 8.261) 8.431 7.808 ( 1.847 -2.333 8.661) 9.158 8.260 ( 1.642 4.828 -7.633) 9.180 8.298 ( -0.698 0.956 -5.587) 5.711 8.616 ( -7.255 4.811 5.063) 10.071 8.681 ( -7.607 -1.741 -1.204) 7.896 8.838 ( -0.451 13.945 0.909) 13.982 9.021 ( 0.465 -0.637 -2.898) 3.004 9.265 ( -7.154 -1.533 -1.047) 7.391 9.339 ( -7.562 -6.629 -4.543) 11.035 9.731 ( 6.112 5.707 2.623) 8.764 9.846 ( 9.338 -3.847 1.105) 10.159 10.048 ( 5.293 6.005 -4.991) 9.433 10.225 ( 4.864 -11.118 -6.522) 13.777 12.695 ( 0.914 5.297 3.538) 6.435 12.779 ( 1.117 -3.518 -0.095) 3.692 13.157 ( -5.147 1.694 1.558) 5.638 13.249 ( -4.210 -6.652 -0.459) 7.886 ======================= Grid point 219 (79/96) ======================= q-point: ( 0.29 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 4.404 5.295 5.854) 9.039 1.668 ( 4.228 -3.049 2.275) 5.688 2.033 ( -3.247 0.764 5.214) 6.190 2.070 ( -1.885 -2.106 5.563) 6.240 2.515 ( 1.888 10.160 4.486) 11.266 2.653 ( 3.504 -2.722 3.940) 5.934 3.090 ( -6.169 -3.365 7.690) 10.417 3.128 ( -9.062 -6.452 6.208) 12.739 3.309 ( 2.266 4.105 -3.349) 5.762 3.390 ( 6.224 -1.544 -4.561) 7.869 3.667 ( 2.192 -0.225 2.949) 3.681 3.702 ( 5.248 -2.396 5.161) 7.741 4.156 ( 0.400 2.751 -1.963) 3.403 4.205 ( -0.213 -0.413 -3.253) 3.286 4.354 ( 2.289 8.145 -3.522) 9.165 4.524 ( 8.236 -4.847 -2.331) 9.837 4.620 ( 2.392 -1.322 -2.322) 3.586 4.648 ( 10.504 -2.035 3.006) 11.114 5.127 ( -3.005 8.082 13.306) 15.856 5.286 ( -4.684 -7.158 10.404) 13.469 5.550 ( 7.399 8.332 1.463) 11.238 5.675 ( 4.674 -2.471 0.969) 5.375 5.878 ( 2.294 5.681 0.635) 6.159 6.052 ( -0.620 -9.404 0.719) 9.452 6.348 ( 3.581 8.387 -1.119) 9.187 6.503 ( 5.247 -7.121 -4.244) 9.810 7.060 ( 8.603 5.026 -0.141) 9.965 7.127 ( -0.275 0.047 -6.172) 6.178 7.242 ( -0.856 -1.236 1.085) 1.854 7.293 ( -9.339 -4.237 -1.887) 10.427 7.786 ( -1.431 1.282 0.870) 2.109 7.814 ( -3.222 -1.329 1.953) 3.995 8.243 ( -0.800 6.669 -2.763) 7.263 8.323 ( 2.590 -0.241 -4.534) 5.227 8.503 ( -2.043 5.169 7.345) 9.212 8.576 ( -1.527 -1.224 1.645) 2.557 8.815 ( -1.956 11.348 1.092) 11.567 8.965 ( -5.846 1.517 -1.125) 6.143 9.072 ( -10.247 -2.063 -0.263) 10.456 9.132 ( -10.131 -9.913 -3.340) 14.562 9.892 ( 8.171 9.829 2.194) 12.968 10.075 ( 10.794 -6.096 -1.142) 12.449 10.142 ( 2.755 7.961 -4.131) 9.383 10.325 ( 3.623 -10.169 -6.579) 12.642 12.720 ( 1.507 5.562 3.087) 6.538 12.813 ( 1.875 -2.868 -0.695) 3.497 13.024 ( -6.528 1.124 2.020) 6.925 13.136 ( -5.972 -8.200 -0.654) 10.166 ======================= Grid point 220 (80/96) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 8.784 3.826 2.864) 10.000 1.786 ( 6.890 -2.213 0.704) 7.271 1.924 ( -7.694 0.765 1.682) 7.913 1.960 ( -7.493 -2.265 1.366) 7.946 2.573 ( 3.982 14.219 5.068) 15.612 2.657 ( -2.280 8.956 4.571) 10.310 2.934 ( -4.043 -12.828 6.497) 14.937 2.970 ( -5.496 -13.492 6.040) 15.771 3.440 ( 7.244 11.432 -0.650) 13.550 3.523 ( 1.426 10.097 0.608) 10.215 3.731 ( 4.115 -10.342 2.184) 11.343 3.779 ( 0.968 -9.162 3.798) 9.965 4.165 ( 1.964 3.381 -4.064) 5.639 4.222 ( 1.076 2.985 -6.046) 6.828 4.298 ( -2.792 -0.314 -3.951) 4.848 4.413 ( -8.860 -6.920 -6.322) 12.898 4.847 ( 10.507 5.834 10.037) 15.658 4.918 ( 10.154 0.669 9.117) 13.663 5.047 ( -3.562 2.519 10.458) 11.332 5.153 ( -7.422 -5.890 9.069) 13.116 5.726 ( 7.855 7.551 1.729) 11.032 5.802 ( 4.300 3.835 2.750) 6.384 5.893 ( 0.114 -0.327 -0.209) 0.404 5.987 ( -5.304 -5.478 -0.292) 7.630 6.529 ( 12.704 8.900 -1.854) 15.622 6.680 ( 9.894 -4.328 -5.741) 12.230 6.868 ( -13.113 2.619 -0.933) 13.405 6.988 ( -13.079 -7.337 -3.755) 15.459 7.343 ( 12.532 7.212 -1.186) 14.507 7.460 ( 9.756 -3.024 -3.309) 10.736 7.639 ( -10.920 1.267 -2.328) 11.237 7.685 ( -7.621 -2.089 -3.926) 8.823 8.334 ( 8.564 4.716 -0.003) 9.776 8.411 ( 5.626 -1.616 -0.025) 5.854 8.497 ( -1.579 3.558 4.288) 5.791 8.535 ( -4.733 0.373 2.261) 5.259 8.766 ( -1.577 6.503 1.473) 6.852 8.807 ( -6.019 5.350 1.662) 8.223 8.909 ( -3.113 -4.821 0.920) 5.812 8.957 ( -6.083 -8.353 -0.270) 10.337 10.051 ( 6.344 11.577 0.250) 13.203 10.146 ( -2.319 10.590 -2.152) 11.053 10.267 ( 6.774 -8.380 -3.359) 11.287 10.354 ( -1.271 -9.506 -5.433) 11.022 12.763 ( 2.649 6.496 2.560) 7.468 12.826 ( -2.102 5.319 1.020) 5.809 12.940 ( 0.551 -7.584 0.245) 7.608 13.014 ( -5.117 -9.437 -0.912) 10.774 ======================= Grid point 245 (81/96) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.000 0.000 10.705) 10.705 1.915 ( 0.000 0.000 6.854) 6.854 1.946 ( 0.000 0.000 -8.973) 8.973 1.969 ( 0.000 0.000 1.132) 1.132 2.913 ( 0.000 0.000 0.391) 0.391 2.998 ( 0.000 0.000 13.603) 13.603 3.004 ( 0.000 0.000 -7.945) 7.945 3.269 ( 0.000 0.000 -13.100) 13.100 3.411 ( 0.000 0.000 6.215) 6.215 3.533 ( 0.000 0.000 -4.202) 4.202 3.587 ( 0.000 0.000 3.619) 3.619 3.587 ( 0.000 0.000 16.996) 16.996 3.643 ( 0.000 0.000 -2.794) 2.794 3.906 ( 0.000 0.000 -10.525) 10.525 4.100 ( 0.000 0.000 7.031) 7.031 4.141 ( 0.000 0.000 19.544) 19.544 4.285 ( 0.000 0.000 -9.738) 9.738 4.656 ( 0.000 0.000 -26.347) 26.347 4.967 ( 0.000 0.000 8.361) 8.361 5.131 ( 0.000 0.000 -6.601) 6.601 5.190 ( 0.000 0.000 8.361) 8.361 5.335 ( 0.000 0.000 -5.219) 5.219 6.392 ( 0.000 0.000 6.942) 6.942 6.452 ( 0.000 0.000 9.496) 9.496 6.530 ( 0.000 0.000 -5.936) 5.936 6.649 ( 0.000 0.000 -7.295) 7.295 7.057 ( 0.000 0.000 1.122) 1.122 7.072 ( 0.000 0.000 -0.060) 0.060 7.265 ( 0.000 0.000 3.594) 3.594 7.335 ( 0.000 0.000 -1.200) 1.200 7.417 ( 0.000 0.000 2.037) 2.037 7.476 ( 0.000 0.000 -3.687) 3.687 8.105 ( 0.000 0.000 3.581) 3.581 8.179 ( 0.000 0.000 -0.705) 0.705 8.456 ( 0.000 0.000 4.821) 4.821 8.472 ( 0.000 0.000 0.286) 0.286 8.847 ( 0.000 0.000 -2.164) 2.164 8.913 ( 0.000 0.000 -9.344) 9.344 9.082 ( 0.000 0.000 4.789) 4.789 9.174 ( 0.000 0.000 -3.928) 3.928 9.885 ( 0.000 0.000 16.030) 16.030 9.971 ( 0.000 0.000 5.191) 5.191 10.063 ( 0.000 0.000 -3.871) 3.871 10.232 ( 0.000 0.000 -16.579) 16.579 12.625 ( 0.000 0.000 7.717) 7.717 12.798 ( 0.000 0.000 -8.985) 8.985 13.448 ( 0.000 0.000 5.808) 5.808 13.530 ( 0.000 0.000 -2.058) 2.058 ======================= Grid point 246 (82/96) ======================= q-point: ( 0.14 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 3.458 0.000 10.113) 10.688 1.802 ( -7.827 0.000 8.761) 11.748 1.902 ( -5.647 0.000 -1.318) 5.799 1.967 ( 1.632 0.000 -7.690) 7.861 2.881 ( -9.462 0.000 12.335) 15.547 2.887 ( -1.711 0.000 2.677) 3.177 3.006 ( 0.091 0.000 -8.360) 8.361 3.142 ( -11.180 0.000 -11.660) 16.154 3.437 ( 0.218 0.000 4.753) 4.758 3.561 ( -1.430 0.000 -5.444) 5.628 3.656 ( 5.773 0.000 13.640) 14.811 3.725 ( 16.730 0.000 8.545) 18.786 3.895 ( 19.392 0.000 -5.963) 20.288 3.931 ( 2.071 0.000 -10.706) 10.904 4.139 ( 0.116 0.000 19.511) 19.511 4.187 ( 8.278 0.000 8.998) 12.227 4.387 ( 9.374 0.000 -9.760) 13.532 4.627 ( -2.658 0.000 -24.904) 25.045 5.051 ( 7.217 0.000 10.071) 12.390 5.182 ( -0.511 0.000 9.278) 9.292 5.225 ( 8.198 0.000 -6.146) 10.246 5.346 ( 1.098 0.000 -6.241) 6.337 6.200 ( -15.415 0.000 6.672) 16.797 6.341 ( -8.189 0.000 11.145) 13.830 6.347 ( -14.473 0.000 -6.853) 16.013 6.603 ( -5.136 0.000 -13.294) 14.251 7.047 ( 2.681 0.000 5.120) 5.780 7.168 ( 4.921 0.000 -6.329) 8.017 7.225 ( -1.311 0.000 9.362) 9.454 7.379 ( 1.711 0.000 -5.139) 5.417 7.592 ( 15.052 0.000 5.175) 15.917 7.681 ( 15.405 0.000 -3.384) 15.772 8.072 ( -4.965 0.000 3.192) 5.903 8.096 ( -6.781 0.000 1.540) 6.953 8.405 ( -3.685 0.000 5.459) 6.586 8.483 ( 0.815 0.000 -4.334) 4.410 8.775 ( -4.824 0.000 1.648) 5.097 8.900 ( -1.726 0.000 -8.533) 8.706 9.040 ( -3.906 0.000 4.176) 5.718 9.123 ( -4.845 0.000 -3.532) 5.995 9.946 ( 5.225 0.000 13.391) 14.374 9.954 ( -1.523 0.000 4.934) 5.164 10.042 ( -1.959 0.000 -3.675) 4.165 10.266 ( 2.574 0.000 -16.253) 16.455 12.665 ( 3.471 0.000 7.606) 8.360 12.830 ( 2.827 0.000 -8.336) 8.803 13.399 ( -4.330 0.000 6.147) 7.519 13.491 ( -3.543 0.000 -2.602) 4.396 ======================= Grid point 247 (83/96) ======================= q-point: ( 0.29 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -0.760 0.000 7.841) 7.878 1.799 ( -2.290 0.000 -2.838) 3.647 1.869 ( 4.260 0.000 7.878) 8.956 1.995 ( 0.677 0.000 -4.193) 4.247 2.602 ( -16.450 0.000 9.179) 18.838 2.772 ( -21.168 0.000 -6.259) 22.074 2.873 ( 0.820 0.000 4.952) 5.020 3.005 ( -0.331 0.000 -6.852) 6.860 3.557 ( 8.833 0.000 1.144) 8.907 3.608 ( 6.895 0.000 -3.092) 7.557 3.794 ( 6.382 0.000 7.270) 9.674 3.966 ( 0.484 0.000 -8.662) 8.676 4.025 ( 7.882 0.000 7.465) 10.856 4.145 ( 3.471 0.000 -3.364) 4.834 4.176 ( 4.047 0.000 14.803) 15.346 4.514 ( 19.459 0.000 8.560) 21.259 4.549 ( -4.497 0.000 -19.876) 20.379 4.676 ( 17.189 0.000 -6.145) 18.254 5.186 ( 1.280 0.000 10.843) 10.919 5.226 ( 7.799 0.000 12.189) 14.470 5.387 ( 2.917 0.000 -7.703) 8.236 5.431 ( 9.257 0.000 -6.157) 11.117 5.834 ( -17.468 0.000 6.675) 18.700 6.013 ( -15.643 0.000 -9.216) 18.156 6.203 ( -2.541 0.000 9.874) 10.196 6.468 ( -5.488 0.000 -15.210) 16.170 7.146 ( 5.788 0.000 5.578) 8.039 7.207 ( -1.707 0.000 9.134) 9.293 7.267 ( 3.868 0.000 -5.894) 7.050 7.362 ( -4.296 0.000 -5.993) 7.373 7.887 ( -9.048 0.000 1.833) 9.232 7.925 ( -9.241 0.000 -1.015) 9.297 7.962 ( 18.477 0.000 4.925) 19.123 8.036 ( 16.975 0.000 -2.098) 17.104 8.348 ( -1.549 0.000 6.340) 6.527 8.470 ( -2.806 0.000 -6.264) 6.864 8.714 ( -0.067 0.000 6.706) 6.706 8.852 ( -2.332 0.000 -4.975) 5.494 8.916 ( -7.839 0.000 2.645) 8.274 8.971 ( -9.366 0.000 -2.491) 9.691 9.917 ( -1.625 0.000 3.907) 4.232 9.987 ( -2.977 0.000 -2.892) 4.150 10.076 ( 6.433 0.000 6.545) 9.178 10.309 ( 0.841 0.000 -14.455) 14.479 12.758 ( 4.928 0.000 7.511) 8.983 12.902 ( 3.359 0.000 -6.059) 6.928 13.287 ( -5.343 0.000 5.925) 7.978 13.392 ( -5.368 0.000 -3.734) 6.539 ======================= Grid point 248 (84/96) ======================= q-point: ( 0.43 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 7.775 0.000 4.627) 9.048 1.837 ( 4.294 0.000 -0.672) 4.346 1.946 ( 2.877 0.000 4.194) 5.086 1.989 ( -1.186 0.000 0.081) 1.189 2.264 ( -11.683 0.000 3.256) 12.128 2.340 ( -16.918 0.000 -3.652) 17.308 2.920 ( 3.116 0.000 3.662) 4.808 2.981 ( -2.162 0.000 -1.504) 2.633 3.743 ( 7.707 0.000 3.037) 8.284 3.782 ( 5.800 0.000 -0.017) 5.800 3.901 ( 3.529 0.000 1.116) 3.701 3.952 ( -1.481 0.000 -3.711) 3.995 4.071 ( -0.393 0.000 3.579) 3.601 4.126 ( -3.997 0.000 -1.220) 4.179 4.303 ( 6.992 0.000 2.427) 7.402 4.441 ( -5.763 0.000 -10.332) 11.831 4.865 ( 12.459 0.000 11.034) 16.643 4.969 ( 5.354 0.000 4.798) 7.189 5.258 ( 6.023 0.000 11.931) 13.365 5.362 ( 6.787 0.000 2.027) 7.083 5.427 ( -5.252 0.000 6.231) 8.149 5.506 ( -3.454 0.000 -7.354) 8.125 5.559 ( -1.269 0.000 -7.188) 7.299 5.718 ( -11.640 0.000 -11.757) 16.545 6.292 ( 9.108 0.000 4.946) 10.364 6.415 ( -1.304 0.000 -6.576) 6.704 7.133 ( -3.403 0.000 2.878) 4.457 7.192 ( -9.015 0.000 -2.886) 9.466 7.260 ( 4.356 0.000 3.032) 5.308 7.310 ( -0.097 0.000 -1.654) 1.656 7.767 ( -1.847 0.000 -1.295) 2.256 7.785 ( -3.387 0.000 -2.839) 4.420 8.336 ( 15.380 0.000 2.934) 15.657 8.337 ( 0.756 0.000 4.049) 4.119 8.369 ( 13.123 0.000 -0.174) 13.124 8.388 ( -3.830 0.000 -1.053) 3.972 8.716 ( -10.090 0.000 0.773) 10.120 8.737 ( -11.666 0.000 -1.180) 11.725 8.751 ( 2.645 0.000 4.640) 5.341 8.805 ( -2.305 0.000 0.365) 2.334 9.899 ( 0.195 0.000 1.667) 1.679 9.927 ( -2.332 0.000 -1.053) 2.558 10.203 ( 5.236 0.000 -2.152) 5.661 10.289 ( -2.676 0.000 -9.819) 10.177 12.863 ( 4.728 0.000 6.689) 8.191 12.935 ( -1.156 0.000 1.035) 1.552 13.219 ( -0.006 0.000 0.590) 0.590 13.280 ( -4.773 0.000 -3.934) 6.186 ======================= Grid point 252 (85/96) ======================= q-point: ( 0.00 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.000 -3.540 7.533) 8.323 1.777 ( 0.000 -7.125 -0.101) 7.125 2.027 ( 0.000 2.979 1.818) 3.490 2.036 ( 0.000 3.344 -0.563) 3.391 2.855 ( 0.000 -5.569 3.404) 6.527 2.936 ( 0.000 -0.194 5.995) 5.998 3.040 ( 0.000 -3.576 2.238) 4.219 3.318 ( 0.000 2.365 -14.641) 14.831 3.453 ( 0.000 3.885 4.665) 6.071 3.504 ( 0.000 -2.136 1.626) 2.685 3.565 ( 0.000 -0.018 2.123) 2.123 3.586 ( 0.000 4.828 1.067) 4.945 3.729 ( 0.000 3.308 4.428) 5.527 3.907 ( 0.000 -1.269 -10.213) 10.292 4.101 ( 0.000 0.814 6.936) 6.984 4.115 ( 0.000 0.220 17.175) 17.176 4.334 ( 0.000 3.022 -6.028) 6.743 4.634 ( 0.000 -2.099 -23.013) 23.108 5.033 ( 0.000 6.168 7.898) 10.021 5.152 ( 0.000 2.348 1.140) 2.610 5.270 ( 0.000 7.097 -0.149) 7.099 5.364 ( 0.000 2.642 -4.723) 5.412 6.287 ( 0.000 -5.861 8.535) 10.354 6.436 ( 0.000 -5.848 -4.378) 7.305 6.533 ( 0.000 1.373 6.253) 6.402 6.674 ( 0.000 -3.238 -6.381) 7.155 6.959 ( 0.000 -5.954 1.598) 6.165 7.000 ( 0.000 -8.166 -2.568) 8.560 7.207 ( 0.000 2.207 5.779) 6.186 7.280 ( 0.000 3.426 -1.569) 3.768 7.614 ( 0.000 10.098 0.716) 10.123 7.674 ( 0.000 13.067 -2.424) 13.290 8.116 ( 0.000 0.876 2.934) 3.062 8.170 ( 0.000 -0.786 -1.582) 1.766 8.495 ( 0.000 3.993 4.605) 6.095 8.510 ( 0.000 3.993 1.937) 4.438 8.776 ( 0.000 -4.279 -3.179) 5.330 8.809 ( 0.000 -5.691 -7.151) 9.139 9.216 ( 0.000 8.979 1.688) 9.136 9.271 ( 0.000 7.183 -2.893) 7.744 9.911 ( 0.000 1.794 13.710) 13.827 9.917 ( 0.000 -5.270 4.871) 7.176 10.015 ( 0.000 -4.552 -3.024) 5.465 10.233 ( 0.000 -0.529 -14.861) 14.870 12.623 ( 0.000 0.190 6.697) 6.699 12.774 ( 0.000 -1.978 -7.917) 8.160 13.417 ( 0.000 -3.040 5.526) 6.307 13.497 ( 0.000 -3.318 -2.107) 3.931 ======================= Grid point 253 (86/96) ======================= q-point: ( 0.14 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -0.135 -4.091 6.496) 7.678 1.741 ( -2.211 -5.230 2.552) 6.226 1.991 ( -2.389 6.270 2.335) 7.104 2.034 ( -0.163 3.954 -2.268) 4.561 2.815 ( -5.070 -3.456 11.222) 12.790 2.899 ( -2.955 -1.883 7.483) 8.263 3.010 ( 0.512 -0.568 -9.082) 9.114 3.145 ( -12.412 -0.237 -12.000) 17.266 3.484 ( 1.248 4.249 2.638) 5.155 3.528 ( 3.878 -1.749 2.908) 5.153 3.646 ( -1.047 -0.189 2.887) 3.077 3.771 ( 11.657 1.326 9.728) 15.241 3.849 ( 6.399 -2.474 -9.758) 11.928 3.954 ( 15.063 2.301 -5.068) 16.059 4.138 ( 2.562 1.322 17.773) 18.005 4.212 ( 8.836 1.640 6.971) 11.374 4.416 ( 7.873 2.046 -7.822) 11.285 4.605 ( -2.685 -2.088 -21.609) 21.875 5.107 ( 5.968 5.228 9.934) 12.714 5.204 ( 3.160 2.981 6.608) 7.908 5.305 ( 5.013 6.825 -4.784) 9.726 5.373 ( 0.975 2.566 -5.618) 6.253 6.178 ( -10.581 -2.670 7.951) 13.502 6.315 ( -10.025 -0.705 0.636) 10.070 6.359 ( -12.102 -1.276 1.884) 12.314 6.561 ( -6.179 -4.295 -11.260) 13.543 7.051 ( 3.182 -0.993 2.570) 4.209 7.083 ( 6.338 -6.033 1.459) 8.871 7.278 ( 0.177 4.068 -0.242) 4.079 7.289 ( 5.688 -3.130 0.520) 6.513 7.706 ( 8.171 7.201 2.518) 11.179 7.770 ( 9.501 7.338 -3.211) 12.427 8.070 ( -6.508 -0.114 2.453) 6.956 8.099 ( -5.753 0.459 -0.095) 5.772 8.464 ( -2.248 5.685 4.934) 7.856 8.513 ( 0.368 3.158 -2.128) 3.826 8.697 ( -3.679 -4.322 2.452) 6.183 8.831 ( -0.097 -3.747 -7.844) 8.693 9.163 ( -4.969 8.190 2.004) 9.787 9.224 ( -4.576 7.506 -3.288) 9.386 9.907 ( -0.760 -4.318 4.884) 6.563 9.963 ( 3.484 -0.223 7.347) 8.134 10.012 ( 0.513 -1.521 1.159) 1.980 10.270 ( 2.829 -0.192 -14.613) 14.886 12.656 ( 2.973 -0.386 6.636) 7.282 12.802 ( 2.484 -2.388 -7.394) 8.157 13.367 ( -4.348 -3.075 5.862) 7.920 13.457 ( -3.609 -3.402 -2.613) 5.606 ======================= Grid point 254 (87/96) ======================= q-point: ( 0.29 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.712 -1.833 6.688) 6.971 1.740 ( 1.635 -2.879 -0.770) 3.399 1.966 ( 0.338 6.618 4.047) 7.765 2.028 ( -0.716 2.613 -1.871) 3.293 2.590 ( -14.913 -0.959 9.868) 17.908 2.757 ( -17.613 -1.270 -4.070) 18.121 2.927 ( 0.633 4.832 2.520) 5.486 3.056 ( 2.028 4.582 -7.170) 8.748 3.579 ( 6.727 -0.417 2.478) 7.181 3.626 ( 4.620 0.185 -2.829) 5.421 3.670 ( 4.543 -7.450 6.723) 11.015 3.828 ( 0.858 -7.861 -6.505) 10.240 4.087 ( 8.351 1.288 6.173) 10.464 4.162 ( 3.249 1.368 6.855) 7.708 4.237 ( 4.158 4.014 1.881) 6.078 4.517 ( -1.386 -1.902 -15.191) 15.373 4.542 ( 15.460 1.924 5.070) 16.383 4.679 ( 16.645 0.393 -5.013) 17.388 5.192 ( 1.665 2.141 12.214) 12.511 5.310 ( 6.848 6.501 9.397) 13.321 5.401 ( 1.587 1.505 -7.350) 7.669 5.479 ( 8.785 4.364 -5.036) 11.026 5.880 ( -15.030 3.489 6.151) 16.611 6.049 ( -13.841 2.964 -8.541) 16.532 6.202 ( -0.901 0.335 9.063) 9.114 6.454 ( -3.268 -1.391 -14.544) 14.971 7.114 ( 3.533 -2.378 7.171) 8.341 7.187 ( 2.575 -2.867 3.681) 5.329 7.270 ( -1.748 0.283 -2.201) 2.825 7.348 ( -1.083 -1.099 -5.545) 5.756 7.845 ( -7.215 -3.007 2.816) 8.308 7.894 ( -9.909 -2.776 -1.562) 10.408 7.990 ( 11.545 2.551 2.124) 12.013 8.051 ( 14.154 2.612 -3.243) 14.754 8.437 ( -0.230 7.404 6.080) 9.583 8.509 ( -0.907 3.925 -1.191) 4.200 8.677 ( 1.480 -1.444 4.962) 5.376 8.806 ( -2.101 -2.386 -5.530) 6.379 9.011 ( -9.091 6.367 2.454) 11.367 9.076 ( -9.043 7.526 -3.259) 12.208 9.891 ( -0.425 -2.075 4.096) 4.611 9.966 ( -1.581 -1.612 -3.135) 3.863 10.104 ( 6.057 2.393 6.361) 9.104 10.320 ( 1.177 0.605 -13.170) 13.236 12.737 ( 4.324 -1.637 6.664) 8.111 12.866 ( 3.010 -3.201 -5.466) 7.013 13.256 ( -5.326 -3.110 5.674) 8.381 13.357 ( -5.422 -3.557 -3.626) 7.430 ======================= Grid point 255 (88/96) ======================= q-point: ( 0.43 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 8.112 -1.057 4.724) 9.446 1.826 ( 5.508 -0.883 -0.996) 5.666 1.975 ( -0.860 1.755 2.197) 2.940 1.987 ( -3.394 -0.281 0.724) 3.482 2.295 ( -8.785 3.566 3.921) 10.260 2.373 ( -14.732 3.768 -3.290) 15.558 2.998 ( 4.151 7.321 4.331) 9.465 3.065 ( -1.527 7.819 -1.102) 8.043 3.688 ( 2.465 -13.665 1.430) 13.959 3.696 ( 1.606 -13.124 0.247) 13.224 3.805 ( 6.511 3.215 2.207) 7.590 3.865 ( 1.480 1.899 -2.628) 3.564 4.173 ( 0.585 3.640 2.785) 4.621 4.201 ( 0.045 -0.528 0.355) 0.638 4.281 ( 3.131 0.506 0.345) 3.190 4.396 ( -6.269 -3.541 -9.965) 12.294 4.884 ( 12.275 2.075 10.433) 16.243 4.981 ( 6.429 1.518 4.398) 7.936 5.234 ( 4.068 -1.565 8.217) 9.302 5.380 ( -5.559 -2.790 -1.429) 6.382 5.447 ( 6.783 7.287 4.989) 11.135 5.587 ( -2.401 6.476 0.105) 6.907 5.648 ( -1.193 7.276 -6.125) 9.586 5.785 ( -10.322 5.757 -10.355) 15.714 6.321 ( 9.723 2.903 4.591) 11.138 6.439 ( -0.160 2.380 -6.477) 6.903 7.145 ( -4.149 -2.686 1.102) 5.063 7.155 ( -3.739 -2.294 0.801) 4.459 7.235 ( 1.619 -2.269 1.744) 3.288 7.288 ( -2.313 0.969 -2.184) 3.326 7.709 ( -3.264 -4.769 -2.244) 6.200 7.717 ( -4.308 -5.535 -2.993) 7.626 8.293 ( 12.086 -1.109 2.505) 12.392 8.333 ( 9.065 0.138 -1.225) 9.149 8.457 ( 2.879 6.898 5.084) 9.040 8.489 ( -0.147 6.804 2.154) 7.139 8.701 ( -1.935 -0.642 1.195) 2.364 8.731 ( -5.404 -1.024 -1.472) 5.693 8.826 ( -4.564 5.778 2.789) 7.873 8.880 ( -7.423 6.489 -1.477) 9.969 9.896 ( 0.897 0.129 2.139) 2.323 9.927 ( -1.887 0.436 -0.726) 2.068 10.225 ( 5.022 1.973 -2.038) 5.768 10.307 ( -2.398 1.407 -9.151) 9.564 12.831 ( 4.271 -2.801 5.977) 7.862 12.896 ( -1.007 -3.509 0.771) 3.731 13.187 ( -0.167 -3.238 0.820) 3.344 13.245 ( -4.693 -3.559 -3.627) 6.917 ======================= Grid point 259 (89/96) ======================= q-point: ( 0.00 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.000 0.560 3.568) 3.612 1.674 ( 0.000 -2.927 2.142) 3.627 2.057 ( 0.000 1.296 3.572) 3.800 2.096 ( 0.000 3.868 -0.677) 3.926 2.680 ( 0.000 -12.114 8.235) 14.648 2.837 ( 0.000 -15.162 1.196) 15.209 3.001 ( 0.000 5.836 5.342) 7.912 3.298 ( 0.000 -3.203 -14.740) 15.084 3.516 ( 0.000 2.569 1.694) 3.077 3.537 ( 0.000 4.129 1.357) 4.346 3.653 ( 0.000 6.639 3.304) 7.416 3.729 ( 0.000 6.795 5.257) 8.591 3.750 ( 0.000 1.223 -0.989) 1.573 3.858 ( 0.000 -1.925 -5.283) 5.622 4.139 ( 0.000 2.238 4.633) 5.146 4.165 ( 0.000 3.283 8.518) 9.129 4.373 ( 0.000 0.880 -3.299) 3.414 4.573 ( 0.000 -3.990 -16.280) 16.762 5.188 ( 0.000 8.428 5.933) 10.307 5.217 ( 0.000 3.797 4.851) 6.160 5.430 ( 0.000 4.143 -1.486) 4.401 5.453 ( 0.000 11.012 -5.132) 12.149 6.139 ( 0.000 -10.452 10.028) 14.484 6.315 ( 0.000 -8.376 -4.557) 9.536 6.461 ( 0.000 -5.521 1.276) 5.667 6.487 ( 0.000 -10.365 -1.773) 10.516 6.902 ( 0.000 -1.523 0.787) 1.715 6.911 ( 0.000 -0.541 0.049) 0.544 7.339 ( 0.000 8.198 2.597) 8.600 7.376 ( 0.000 5.075 -1.327) 5.246 7.813 ( 0.000 8.889 1.283) 8.981 7.876 ( 0.000 6.834 -1.205) 6.939 8.133 ( 0.000 0.809 2.222) 2.365 8.156 ( 0.000 -0.229 -2.419) 2.430 8.627 ( 0.000 9.744 2.903) 10.167 8.631 ( 0.000 7.090 3.518) 7.915 8.733 ( 0.000 -0.182 -4.037) 4.041 8.755 ( 0.000 1.527 -7.916) 8.062 9.378 ( 0.000 6.026 1.160) 6.137 9.402 ( 0.000 4.739 -0.819) 4.809 9.774 ( 0.000 -7.953 4.226) 9.006 9.856 ( 0.000 -7.330 -2.583) 7.772 9.959 ( 0.000 -0.813 8.735) 8.773 10.180 ( 0.000 -5.289 -10.907) 12.122 12.656 ( 0.000 3.448 4.148) 5.394 12.746 ( 0.000 -0.171 -4.671) 4.674 13.333 ( 0.000 -4.998 4.370) 6.639 13.401 ( 0.000 -6.052 -2.087) 6.401 ======================= Grid point 260 (90/96) ======================= q-point: ( 0.14 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -0.759 -0.744 4.406) 4.532 1.673 ( 0.684 -1.123 1.430) 1.943 2.096 ( 1.895 4.429 2.617) 5.482 2.117 ( 0.406 5.190 0.396) 5.221 2.709 ( 0.646 -8.364 10.195) 13.203 2.793 ( -3.779 -9.617 8.599) 13.443 2.992 ( 4.284 0.792 -7.464) 8.642 3.132 ( -9.978 -0.814 -12.351) 15.899 3.526 ( 1.349 1.082 7.812) 8.002 3.570 ( -0.964 3.005 2.823) 4.234 3.644 ( -5.002 -0.052 -2.064) 5.411 3.696 ( -2.255 -4.118 -2.062) 5.128 3.922 ( 12.884 6.742 2.768) 14.802 4.028 ( 15.506 5.319 -3.977) 16.869 4.187 ( 3.345 2.990 9.809) 10.786 4.236 ( 8.862 0.101 5.094) 10.222 4.438 ( 6.428 -0.120 -5.222) 8.282 4.547 ( -2.291 -3.686 -14.769) 15.393 5.236 ( 3.553 6.810 9.554) 12.259 5.298 ( 6.517 5.896 4.210) 9.745 5.438 ( 0.852 4.039 -1.735) 4.478 5.480 ( 2.861 10.565 -5.957) 12.462 6.065 ( -6.375 -9.208 10.141) 15.109 6.248 ( -6.596 -8.426 -5.601) 12.078 6.337 ( -7.152 0.816 4.126) 8.297 6.453 ( -3.032 -4.996 -6.799) 8.965 6.979 ( 4.788 -3.441 1.407) 6.062 6.995 ( 6.516 -3.617 -0.911) 7.508 7.314 ( -1.604 3.971 3.215) 5.355 7.370 ( -1.307 4.237 -1.494) 4.679 7.837 ( 1.698 4.995 2.184) 5.710 7.880 ( 1.386 2.712 -1.650) 3.464 8.093 ( -4.078 2.969 0.599) 5.079 8.130 ( -2.708 3.029 -3.205) 5.175 8.608 ( -1.260 7.985 5.883) 9.998 8.621 ( -1.188 7.049 2.280) 7.503 8.667 ( -1.433 1.745 -0.311) 2.280 8.802 ( 1.241 1.741 -8.870) 9.124 9.297 ( -7.001 4.010 1.847) 8.277 9.344 ( -5.553 2.622 -2.598) 6.668 9.806 ( 2.498 -4.378 4.542) 6.785 9.891 ( 3.000 -4.027 -3.448) 6.091 10.019 ( 5.115 -0.117 8.322) 9.769 10.227 ( 3.796 -4.690 -10.663) 12.252 12.675 ( 1.660 2.646 4.132) 5.180 12.763 ( 1.517 -0.813 -4.490) 4.809 13.282 ( -4.478 -5.125 4.695) 8.268 13.358 ( -3.862 -6.283 -2.477) 7.780 ======================= Grid point 261 (91/96) ======================= q-point: ( 0.29 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 2.122 0.407 5.221) 5.651 1.707 ( 2.810 -0.599 -0.833) 2.991 2.081 ( -3.396 2.549 1.631) 4.548 2.094 ( -2.372 5.428 0.835) 5.982 2.574 ( -9.257 -0.155 10.037) 13.655 2.726 ( -9.221 -1.849 -2.522) 9.737 3.043 ( 4.242 6.343 0.555) 7.651 3.157 ( 8.444 4.572 -7.867) 12.413 3.428 ( -5.526 -9.936 5.193) 12.499 3.474 ( -5.305 -10.453 0.724) 11.744 3.699 ( 7.963 3.506 2.498) 9.052 3.789 ( 7.979 1.917 -3.235) 8.821 4.057 ( 0.942 -2.304 3.726) 4.480 4.170 ( 0.598 -2.263 -2.357) 3.322 4.303 ( 3.134 3.196 4.829) 6.585 4.479 ( -3.875 -1.539 -11.225) 11.974 4.597 ( 19.571 3.077 5.527) 20.568 4.688 ( 17.178 0.287 -2.559) 17.370 5.272 ( -0.797 5.405 11.805) 13.008 5.436 ( 0.214 2.166 -2.590) 3.383 5.459 ( 5.387 7.247 5.432) 10.538 5.588 ( 6.611 6.102 -4.593) 10.101 5.913 ( -6.785 -0.981 6.882) 9.714 6.085 ( -8.551 -0.791 -7.710) 11.541 6.244 ( 1.242 4.193 5.686) 7.173 6.422 ( 1.165 -1.352 -11.074) 11.217 7.065 ( 1.778 -2.464 3.667) 4.762 7.101 ( 3.115 -4.889 -0.199) 5.800 7.267 ( -3.918 -0.159 1.186) 4.096 7.333 ( -0.416 -0.543 -3.114) 3.188 7.799 ( -7.263 -1.469 1.639) 7.589 7.837 ( -9.170 -2.490 -2.089) 9.729 8.072 ( 6.206 5.843 1.112) 8.596 8.145 ( 7.573 5.853 -4.870) 10.739 8.591 ( -0.148 7.169 9.372) 11.801 8.616 ( 0.842 5.199 4.655) 7.030 8.681 ( 1.576 2.312 -0.559) 2.853 8.794 ( -2.123 2.111 -7.218) 7.814 9.105 ( -10.267 2.178 2.729) 10.845 9.178 ( -9.482 0.809 -4.008) 10.326 9.868 ( 3.179 0.868 4.482) 5.563 9.955 ( 2.269 1.433 -3.841) 4.685 10.145 ( 6.084 0.807 4.976) 7.901 10.304 ( 2.655 -2.912 -9.590) 10.367 12.721 ( 2.607 0.764 4.308) 5.093 12.804 ( 2.069 -2.091 -3.651) 4.688 13.167 ( -5.520 -5.486 4.722) 9.102 13.252 ( -5.633 -6.723 -3.196) 9.335 ======================= Grid point 262 (92/96) ======================= q-point: ( 0.43 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 7.842 0.127 3.779) 8.706 1.808 ( 6.337 -0.866 -1.183) 6.504 1.967 ( -7.316 -1.083 1.686) 7.586 1.994 ( -7.004 -0.512 -0.616) 7.050 2.426 ( -2.450 9.664 4.538) 10.954 2.499 ( -8.729 8.614 -2.049) 12.433 3.179 ( 6.282 8.920 5.908) 12.407 3.261 ( -0.011 10.237 0.651) 10.257 3.374 ( -0.188 -14.808 -0.566) 14.820 3.392 ( -2.006 -14.967 -1.324) 15.159 3.892 ( 8.512 3.913 4.108) 10.230 3.949 ( 4.698 3.491 0.270) 5.859 4.077 ( 1.769 -7.456 -1.346) 7.780 4.131 ( -3.036 -7.340 -3.619) 8.729 4.297 ( -1.264 -0.540 0.512) 1.467 4.362 ( -6.384 -0.640 -5.370) 8.367 4.948 ( 12.624 4.081 8.822) 15.932 5.029 ( 10.408 2.714 3.078) 11.187 5.220 ( -2.066 0.526 8.344) 8.612 5.337 ( -7.710 -1.595 -0.554) 7.893 5.608 ( 7.524 7.843 3.823) 11.521 5.713 ( 3.196 5.470 -2.939) 6.984 5.794 ( -3.408 6.088 -0.978) 7.045 5.895 ( -8.329 4.043 -7.633) 11.999 6.406 ( 10.922 5.532 3.557) 12.749 6.506 ( 3.728 4.123 -6.037) 8.206 7.000 ( -4.147 -7.985 2.735) 9.404 7.065 ( -8.073 -7.568 -3.508) 11.609 7.263 ( 6.231 4.278 4.741) 8.922 7.360 ( 0.200 4.206 -3.694) 5.602 7.611 ( -7.056 -3.557 -1.883) 8.123 7.634 ( -6.838 -2.488 -3.389) 8.027 8.291 ( 10.974 0.970 2.105) 11.216 8.344 ( 7.675 1.222 -2.780) 8.254 8.598 ( 0.337 5.370 8.218) 9.823 8.618 ( -1.347 3.261 5.833) 6.817 8.697 ( -1.031 0.783 -1.723) 2.155 8.712 ( -4.408 2.184 -2.965) 5.744 8.930 ( -3.630 3.336 1.563) 5.172 8.983 ( -7.342 2.167 -2.979) 8.214 9.933 ( 2.731 4.323 2.765) 5.813 9.972 ( -0.674 4.650 -0.652) 4.744 10.259 ( 4.410 0.655 -1.613) 4.741 10.321 ( -1.156 -0.766 -6.903) 7.041 12.782 ( 2.952 -1.174 4.025) 5.128 12.827 ( -0.613 -2.365 0.231) 2.454 13.091 ( -0.710 -6.249 1.158) 6.395 13.139 ( -4.505 -6.842 -2.868) 8.680 ======================= Grid point 266 (93/96) ======================= q-point: ( 0.00 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 0.000 0.372 3.590) 3.609 1.664 ( 0.000 -0.055 2.339) 2.339 2.148 ( 0.000 8.919 6.439) 11.000 2.233 ( 0.000 10.406 -1.568) 10.524 2.398 ( 0.000 -14.727 8.279) 16.894 2.508 ( 0.000 -16.273 -0.265) 16.275 3.126 ( 0.000 5.958 -1.077) 6.054 3.226 ( 0.000 -4.065 -8.828) 9.719 3.575 ( 0.000 2.709 3.122) 4.133 3.596 ( 0.000 1.175 2.114) 2.419 3.715 ( 0.000 -0.018 3.881) 3.881 3.722 ( 0.000 -0.979 3.946) 4.066 3.891 ( 0.000 5.181 0.698) 5.227 3.893 ( 0.000 3.905 -0.857) 3.997 4.168 ( 0.000 0.940 -1.353) 1.648 4.196 ( 0.000 -0.856 -2.475) 2.619 4.397 ( 0.000 2.617 -0.759) 2.724 4.480 ( 0.000 -5.011 -7.760) 9.237 5.286 ( 0.000 2.715 3.992) 4.828 5.304 ( 0.000 1.879 2.191) 2.886 5.572 ( 0.000 10.862 5.681) 12.258 5.693 ( 0.000 10.765 -5.485) 12.081 5.885 ( 0.000 -11.286 8.229) 13.967 6.045 ( 0.000 -15.918 -5.978) 17.004 6.392 ( 0.000 -1.080 1.012) 1.480 6.395 ( 0.000 -1.345 0.607) 1.476 6.893 ( 0.000 0.148 1.349) 1.357 6.901 ( 0.000 -0.534 0.643) 0.836 7.455 ( 0.000 2.503 -1.211) 2.781 7.458 ( 0.000 2.817 -1.105) 3.026 7.937 ( 0.000 3.167 1.803) 3.644 7.952 ( 0.000 1.288 2.274) 2.613 8.154 ( 0.000 1.179 0.359) 1.232 8.164 ( 0.000 0.383 -2.207) 2.240 8.711 ( 0.000 1.911 -1.083) 2.197 8.734 ( 0.000 -0.244 -3.196) 3.206 8.876 ( 0.000 12.643 1.263) 12.706 8.911 ( 0.000 9.942 -2.489) 10.249 9.360 ( 0.000 -7.355 0.497) 7.372 9.373 ( 0.000 -7.613 -0.818) 7.657 9.715 ( 0.000 3.327 3.546) 4.863 9.774 ( 0.000 -0.560 -0.567) 0.797 9.930 ( 0.000 -0.132 1.903) 1.908 10.033 ( 0.000 -8.342 -6.384) 10.505 12.742 ( 0.000 3.848 1.870) 4.278 12.765 ( 0.000 1.149 -0.513) 1.259 13.247 ( 0.000 -2.343 1.653) 2.868 13.279 ( 0.000 -5.127 -1.267) 5.282 ======================= Grid point 267 (94/96) ======================= q-point: ( 0.14 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.230 1.130 3.578) 3.760 1.669 ( 0.707 -0.309 1.641) 1.814 2.208 ( 1.484 6.891 5.589) 8.996 2.240 ( -2.341 6.043 3.270) 7.259 2.510 ( 10.060 -8.736 3.892) 13.881 2.558 ( 5.170 -11.459 1.282) 12.636 3.046 ( -1.507 3.615 -3.187) 5.049 3.107 ( -5.757 -2.067 -7.540) 9.709 3.542 ( -7.407 0.568 6.380) 9.792 3.565 ( -10.507 -1.824 4.641) 11.631 3.660 ( 0.806 1.356 -1.084) 1.914 3.674 ( 3.047 0.177 -1.000) 3.212 4.069 ( 8.349 7.352 2.182) 11.336 4.150 ( 7.788 5.713 -4.375) 10.603 4.194 ( 11.277 -4.073 3.570) 12.510 4.226 ( 7.733 -0.321 0.403) 7.750 4.425 ( 3.462 -0.014 -2.961) 4.555 4.468 ( -0.639 -3.736 -6.953) 7.919 5.345 ( 4.582 3.791 5.476) 8.084 5.379 ( 5.855 0.831 1.769) 6.173 5.578 ( 0.050 10.807 6.743) 12.738 5.724 ( 0.537 13.590 -6.198) 14.946 5.830 ( -2.205 -13.195 9.499) 16.407 6.009 ( -2.069 -14.186 -6.269) 15.647 6.362 ( -2.216 1.403 1.224) 2.894 6.391 ( -0.613 -1.751 -1.749) 2.550 6.939 ( 3.426 -0.819 0.095) 3.523 6.944 ( 4.246 -1.366 -0.660) 4.509 7.390 ( -4.878 3.065 1.267) 5.899 7.420 ( -4.259 0.395 -1.063) 4.407 7.890 ( -3.973 1.056 1.720) 4.456 7.901 ( -3.277 -0.015 0.056) 3.277 8.167 ( 0.740 3.266 -0.806) 3.445 8.188 ( 1.289 1.466 -3.057) 3.627 8.681 ( -2.136 1.709 2.120) 3.460 8.698 ( -2.197 0.549 1.296) 2.609 8.856 ( -1.202 12.707 1.451) 12.846 8.927 ( 0.391 7.769 -5.079) 9.290 9.264 ( -7.430 -6.726 0.406) 10.030 9.281 ( -7.934 -6.951 -1.453) 10.648 9.804 ( 6.792 4.302 4.043) 8.999 9.873 ( 7.680 0.515 -1.060) 7.770 9.989 ( 5.031 -0.715 1.488) 5.295 10.089 ( 4.717 -8.062 -6.366) 11.303 12.749 ( 0.691 3.617 1.791) 4.094 12.773 ( 0.714 0.949 -0.597) 1.329 13.194 ( -4.762 -2.416 1.846) 5.650 13.229 ( -4.425 -5.520 -1.447) 7.221 ======================= Grid point 268 (95/96) ======================= q-point: ( 0.29 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 2.396 1.740 3.027) 4.234 1.700 ( 2.454 -0.589 0.478) 2.568 2.128 ( -6.758 2.112 3.477) 7.888 2.153 ( -6.810 0.296 1.566) 6.993 2.606 ( 1.542 3.394 4.435) 5.793 2.679 ( 1.972 -3.080 -1.596) 3.990 3.156 ( 8.768 3.881 0.736) 9.616 3.200 ( 11.080 -0.712 -2.048) 11.291 3.279 ( -12.723 -3.251 1.932) 13.273 3.312 ( -7.987 -4.661 -1.133) 9.317 3.763 ( 6.481 2.839 5.526) 8.978 3.805 ( 7.336 -0.909 3.411) 8.141 4.043 ( -4.198 1.085 -4.764) 6.442 4.094 ( -5.044 -3.921 -7.215) 9.636 4.371 ( -0.243 3.555 3.279) 4.842 4.439 ( -2.507 -2.867 -3.319) 5.051 4.654 ( 20.866 2.322 2.624) 21.158 4.684 ( 19.668 -0.767 0.052) 19.683 5.383 ( -3.227 5.013 9.173) 10.940 5.448 ( -2.968 -1.173 3.118) 4.462 5.601 ( 4.447 6.372 3.972) 8.727 5.678 ( 1.180 0.576 -1.217) 1.790 5.891 ( 3.638 1.767 2.295) 4.650 6.001 ( -0.167 -6.701 -5.605) 8.737 6.341 ( 2.575 4.483 0.883) 5.244 6.400 ( 3.133 -1.501 -4.754) 5.888 7.021 ( 1.543 -1.530 -2.114) 3.032 7.025 ( 1.561 -2.189 -2.678) 3.795 7.281 ( -3.723 1.504 3.132) 5.092 7.314 ( -3.023 -1.427 0.760) 3.428 7.785 ( -6.417 0.088 -0.471) 6.434 7.800 ( -7.194 -1.293 -1.953) 7.566 8.196 ( 3.396 5.229 -0.294) 6.242 8.234 ( 4.240 1.836 -3.520) 5.809 8.653 ( -0.784 0.734 5.322) 5.429 8.664 ( -1.214 0.007 4.252) 4.422 8.830 ( -1.376 10.890 1.289) 11.053 8.904 ( -2.718 6.729 -4.438) 8.507 9.075 ( -9.493 -4.987 0.345) 10.729 9.089 ( -8.914 -7.938 -1.161) 11.992 9.954 ( 6.724 7.178 3.613) 10.478 10.034 ( 6.201 4.917 -3.788) 8.773 10.112 ( 5.961 -3.450 2.203) 7.231 10.196 ( 4.474 -7.177 -5.509) 10.093 12.770 ( 1.314 3.262 1.761) 3.933 12.797 ( 1.540 0.625 -0.903) 1.891 13.068 ( -6.414 -2.948 2.159) 7.382 13.110 ( -6.242 -6.418 -1.779) 9.128 ======================= Grid point 269 (96/96) ======================= q-point: ( 0.43 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 6.783 1.005 1.686) 7.061 1.791 ( 6.374 -0.927 -0.324) 6.450 1.953 ( -9.186 0.011 1.129) 9.255 1.970 ( -9.397 -1.405 -0.333) 9.508 2.658 ( 3.314 12.303 3.148) 13.125 2.698 ( 0.335 10.002 -0.379) 10.015 3.034 ( -6.297 -13.222 3.166) 14.983 3.055 ( -7.223 -13.845 1.512) 15.689 3.448 ( 10.898 11.101 1.688) 15.647 3.501 ( 8.399 9.227 -2.676) 12.761 3.816 ( -2.033 -8.275 6.010) 10.427 3.866 ( -3.978 -9.636 3.135) 10.886 4.056 ( 5.859 2.757 -4.810) 8.066 4.081 ( 7.269 1.830 -6.736) 10.077 4.276 ( -6.977 -0.184 1.380) 7.115 4.320 ( -8.175 -3.336 -2.710) 9.236 5.027 ( 13.741 3.266 6.209) 15.428 5.061 ( 14.175 0.053 3.286) 14.551 5.257 ( -7.501 2.736 8.018) 11.315 5.306 ( -8.523 -1.889 3.824) 9.530 5.736 ( 7.100 4.664 0.567) 8.514 5.780 ( 6.215 0.613 -3.142) 6.991 5.879 ( -4.506 3.077 -0.465) 5.477 5.925 ( -6.117 -0.927 -4.430) 7.610 6.526 ( 12.818 5.578 1.251) 14.035 6.576 ( 11.610 1.488 -3.767) 12.297 6.876 ( -11.119 -2.915 1.377) 11.577 6.919 ( -11.312 -6.083 -2.739) 13.133 7.346 ( 9.194 3.587 1.643) 10.005 7.396 ( 8.240 -0.921 -2.783) 8.746 7.592 ( -11.233 0.963 -1.148) 11.333 7.610 ( -9.573 -0.575 -2.693) 9.961 8.341 ( 9.305 3.719 1.064) 10.077 8.378 ( 8.060 1.116 -2.142) 8.414 8.587 ( -6.960 -2.632 2.677) 7.908 8.595 ( -5.899 -2.619 1.943) 6.741 8.805 ( -0.046 7.604 2.365) 7.963 8.835 ( -2.552 6.811 0.170) 7.276 8.930 ( -2.779 -3.477 1.088) 4.582 8.950 ( -3.798 -4.691 -0.681) 6.074 10.070 ( 3.912 8.572 1.558) 9.550 10.107 ( 0.686 7.971 -1.777) 8.196 10.221 ( 3.700 -4.996 -0.619) 6.248 10.254 ( 0.662 -5.882 -3.662) 6.960 12.807 ( 2.105 3.548 1.675) 4.453 12.831 ( 0.930 2.501 -0.515) 2.717 12.957 ( -2.786 -5.919 1.299) 6.669 12.988 ( -4.634 -7.407 -1.533) 8.870 =================== 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 3/25872 10.0 231.063 533.614 266.977 0.000 0.000 0.000 3/25872 20.0 64.854 81.962 53.802 0.000 0.000 0.000 3/25872 30.0 28.175 31.988 23.591 0.000 0.000 0.000 3/25872 40.0 16.308 17.629 13.930 0.000 0.000 0.000 3/25872 50.0 11.101 11.580 9.589 0.000 0.000 0.000 3/25872 60.0 8.302 8.424 7.202 0.000 0.000 0.000 3/25872 70.0 6.592 6.546 5.721 0.000 0.000 0.000 3/25872 80.0 5.456 5.326 4.726 0.000 0.000 0.000 3/25872 90.0 4.654 4.483 4.018 0.000 0.000 0.000 3/25872 100.0 4.061 3.870 3.494 0.000 0.000 0.000 3/25872 110.0 3.606 3.407 3.091 0.000 0.000 0.000 3/25872 120.0 3.246 3.046 2.772 0.000 0.000 0.000 3/25872 130.0 2.955 2.757 2.515 0.000 0.000 0.000 3/25872 140.0 2.714 2.521 2.302 0.000 0.000 0.000 3/25872 150.0 2.511 2.324 2.124 0.000 0.000 0.000 3/25872 160.0 2.337 2.157 1.972 0.000 0.000 0.000 3/25872 170.0 2.187 2.013 1.841 0.000 0.000 0.000 3/25872 180.0 2.056 1.889 1.727 0.000 0.000 0.000 3/25872 190.0 1.941 1.779 1.627 0.000 0.000 0.000 3/25872 200.0 1.838 1.683 1.538 0.000 0.000 0.000 3/25872 210.0 1.746 1.596 1.459 0.000 0.000 0.000 3/25872 220.0 1.663 1.519 1.388 0.000 0.000 0.000 3/25872 230.0 1.587 1.448 1.323 0.000 0.000 0.000 3/25872 240.0 1.519 1.385 1.265 0.000 0.000 0.000 3/25872 250.0 1.456 1.327 1.211 0.000 0.000 0.000 3/25872 260.0 1.398 1.273 1.162 0.000 0.000 0.000 3/25872 270.0 1.345 1.224 1.117 0.000 0.000 0.000 3/25872 280.0 1.296 1.179 1.075 0.000 0.000 0.000 3/25872 290.0 1.250 1.137 1.036 0.000 0.000 0.000 3/25872 300.0 1.207 1.098 1.001 0.000 0.000 0.000 3/25872 310.0 1.168 1.061 0.967 0.000 0.000 0.000 3/25872 320.0 1.130 1.027 0.936 0.000 0.000 0.000 3/25872 330.0 1.096 0.995 0.907 0.000 0.000 0.000 3/25872 340.0 1.063 0.965 0.879 0.000 0.000 0.000 3/25872 350.0 1.032 0.937 0.853 0.000 0.000 0.000 3/25872 360.0 1.003 0.911 0.829 0.000 0.000 0.000 3/25872 370.0 0.976 0.886 0.806 0.000 0.000 0.000 3/25872 380.0 0.950 0.862 0.784 0.000 0.000 0.000 3/25872 390.0 0.925 0.839 0.764 0.000 0.000 0.000 3/25872 400.0 0.902 0.818 0.744 0.000 0.000 0.000 3/25872 410.0 0.879 0.798 0.726 0.000 0.000 0.000 3/25872 420.0 0.858 0.779 0.708 0.000 0.000 0.000 3/25872 430.0 0.838 0.760 0.691 0.000 0.000 0.000 3/25872 440.0 0.819 0.743 0.675 0.000 0.000 0.000 3/25872 450.0 0.801 0.726 0.660 0.000 0.000 0.000 3/25872 460.0 0.783 0.710 0.645 0.000 0.000 0.000 3/25872 470.0 0.766 0.695 0.632 0.000 0.000 0.000 3/25872 480.0 0.750 0.680 0.618 0.000 0.000 0.000 3/25872 490.0 0.735 0.666 0.605 0.000 0.000 0.000 3/25872 500.0 0.720 0.653 0.593 0.000 0.000 0.000 3/25872 510.0 0.706 0.640 0.581 0.000 0.000 0.000 3/25872 520.0 0.692 0.627 0.570 0.000 0.000 0.000 3/25872 530.0 0.679 0.616 0.559 0.000 0.000 0.000 3/25872 540.0 0.666 0.604 0.549 0.000 0.000 0.000 3/25872 550.0 0.654 0.593 0.539 0.000 0.000 0.000 3/25872 560.0 0.643 0.582 0.529 0.000 0.000 0.000 3/25872 570.0 0.631 0.572 0.519 0.000 0.000 0.000 3/25872 580.0 0.620 0.562 0.510 0.000 0.000 0.000 3/25872 590.0 0.610 0.553 0.502 0.000 0.000 0.000 3/25872 600.0 0.599 0.543 0.493 0.000 0.000 0.000 3/25872 610.0 0.590 0.534 0.485 0.000 0.000 0.000 3/25872 620.0 0.580 0.526 0.477 0.000 0.000 0.000 3/25872 630.0 0.571 0.517 0.470 0.000 0.000 0.000 3/25872 640.0 0.562 0.509 0.462 0.000 0.000 0.000 3/25872 650.0 0.553 0.501 0.455 0.000 0.000 0.000 3/25872 660.0 0.545 0.494 0.448 0.000 0.000 0.000 3/25872 670.0 0.537 0.486 0.441 0.000 0.000 0.000 3/25872 680.0 0.529 0.479 0.435 0.000 0.000 0.000 3/25872 690.0 0.521 0.472 0.428 0.000 0.000 0.000 3/25872 700.0 0.514 0.465 0.422 0.000 0.000 0.000 3/25872 710.0 0.506 0.459 0.416 0.000 0.000 0.000 3/25872 720.0 0.499 0.452 0.410 0.000 0.000 0.000 3/25872 730.0 0.492 0.446 0.405 0.000 0.000 0.000 3/25872 740.0 0.486 0.440 0.399 0.000 0.000 0.000 3/25872 750.0 0.479 0.434 0.394 0.000 0.000 0.000 3/25872 760.0 0.473 0.428 0.389 0.000 0.000 0.000 3/25872 770.0 0.467 0.423 0.384 0.000 0.000 0.000 3/25872 780.0 0.461 0.417 0.379 0.000 0.000 0.000 3/25872 790.0 0.455 0.412 0.374 0.000 0.000 0.000 3/25872 800.0 0.449 0.407 0.369 0.000 0.000 0.000 3/25872 810.0 0.444 0.402 0.365 0.000 0.000 0.000 3/25872 820.0 0.438 0.397 0.360 0.000 0.000 0.000 3/25872 830.0 0.433 0.392 0.356 0.000 0.000 0.000 3/25872 840.0 0.428 0.388 0.352 0.000 0.000 0.000 3/25872 850.0 0.423 0.383 0.347 0.000 0.000 0.000 3/25872 860.0 0.418 0.378 0.343 0.000 0.000 0.000 3/25872 870.0 0.413 0.374 0.339 0.000 0.000 0.000 3/25872 880.0 0.408 0.370 0.336 0.000 0.000 0.000 3/25872 890.0 0.404 0.366 0.332 0.000 0.000 0.000 3/25872 900.0 0.399 0.362 0.328 0.000 0.000 0.000 3/25872 910.0 0.395 0.358 0.324 0.000 0.000 0.000 3/25872 920.0 0.391 0.354 0.321 0.000 0.000 0.000 3/25872 930.0 0.386 0.350 0.317 0.000 0.000 0.000 3/25872 940.0 0.382 0.346 0.314 0.000 0.000 0.000 3/25872 950.0 0.378 0.343 0.311 0.000 0.000 0.000 3/25872 960.0 0.374 0.339 0.307 0.000 0.000 0.000 3/25872 970.0 0.370 0.335 0.304 0.000 0.000 0.000 3/25872 980.0 0.367 0.332 0.301 0.000 0.000 0.000 3/25872 990.0 0.363 0.329 0.298 0.000 0.000 0.000 3/25872 1000.0 0.359 0.325 0.295 0.000 0.000 0.000 3/25872 Thermal conductivity related properties were written into "kappa-m7711.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:24:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|