----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:28:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.618656980000000 -6.354714245000000 0.000000000000000 b 1.618656980000000 6.354714245000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.010809040000000 Atomic positions (fractional): *1 Sc 0.32527943655431 0.67472056344569 0.75304027922312 44.956 2 Sc 0.67472056344569 0.32527943655431 0.25304027922312 44.956 *3 H 0.98694600341181 0.01305399658819 0.55713927798544 1.008 4 H 0.01305399658819 0.98694600341181 0.05713927798544 1.008 *5 O 0.71476110275839 0.28523889724161 0.75223001429012 15.999 6 O 0.28523889724161 0.71476110275839 0.25223001429012 15.999 *7 O 0.93354347630662 0.06645652369338 0.74819139850130 15.999 8 O 0.06645652369338 0.93354347630662 0.24819139850130 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.237313960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.709428490000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.010809040000000 Atomic positions (fractional): *1 Sc 0.00000000000000 0.67472056344569 0.75304027922312 44.956 > 1 2 Sc 0.50000000000000 0.82527943655431 0.25304027922312 44.956 > 2 3 Sc 0.50000000000000 0.17472056344569 0.75304027922312 44.956 > 1 4 Sc 0.00000000000000 0.32527943655431 0.25304027922312 44.956 > 2 *5 H 0.50000000000000 0.51305399658819 0.55713927798544 1.008 > 3 6 H 0.00000000000000 0.98694600341181 0.05713927798544 1.008 > 4 7 H 0.00000000000000 0.01305399658819 0.55713927798544 1.008 > 3 8 H 0.50000000000000 0.48694600341181 0.05713927798544 1.008 > 4 *9 O 0.50000000000000 0.78523889724161 0.75223001429012 15.999 > 5 10 O 0.00000000000000 0.71476110275839 0.25223001429012 15.999 > 6 *11 O 0.50000000000000 0.56645652369338 0.74819139850130 15.999 > 7 12 O 0.00000000000000 0.93354347630662 0.24819139850130 15.999 > 8 13 O 0.00000000000000 0.28523889724161 0.75223001429012 15.999 > 5 14 O 0.50000000000000 0.21476110275839 0.25223001429012 15.999 > 6 15 O 0.00000000000000 0.06645652369338 0.74819139850130 15.999 > 7 16 O 0.50000000000000 0.43354347630662 0.24819139850130 15.999 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.711941879999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.709428490000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.032427119999999 Atomic positions (fractional): *1 Sc 0.00000000000000 0.67472056344569 0.25101342640771 44.956 > 1 2 Sc 0.33333333333333 0.67472056344569 0.25101342640771 44.956 > 1 3 Sc 0.66666666666667 0.67472056344569 0.25101342640771 44.956 > 1 4 Sc 0.00000000000000 0.67472056344569 0.58434675974104 44.956 > 1 5 Sc 0.33333333333333 0.67472056344569 0.58434675974104 44.956 > 1 6 Sc 0.66666666666667 0.67472056344569 0.58434675974104 44.956 > 1 7 Sc 0.00000000000000 0.67472056344569 0.91768009307437 44.956 > 1 8 Sc 0.33333333333333 0.67472056344569 0.91768009307437 44.956 > 1 9 Sc 0.66666666666667 0.67472056344569 0.91768009307437 44.956 > 1 10 Sc 0.16666666666667 0.82527943655431 0.08434675974104 44.956 > 2 11 Sc 0.50000000000000 0.82527943655431 0.08434675974104 44.956 > 2 12 Sc 0.83333333333333 0.82527943655431 0.08434675974104 44.956 > 2 13 Sc 0.16666666666667 0.82527943655431 0.41768009307437 44.956 > 2 14 Sc 0.50000000000000 0.82527943655431 0.41768009307437 44.956 > 2 15 Sc 0.83333333333333 0.82527943655431 0.41768009307437 44.956 > 2 16 Sc 0.16666666666667 0.82527943655431 0.75101342640771 44.956 > 2 17 Sc 0.50000000000000 0.82527943655431 0.75101342640771 44.956 > 2 18 Sc 0.83333333333333 0.82527943655431 0.75101342640771 44.956 > 2 19 Sc 0.16666666666667 0.17472056344569 0.25101342640771 44.956 > 1 20 Sc 0.50000000000000 0.17472056344569 0.25101342640771 44.956 > 1 21 Sc 0.83333333333333 0.17472056344569 0.25101342640771 44.956 > 1 22 Sc 0.16666666666667 0.17472056344569 0.58434675974104 44.956 > 1 23 Sc 0.50000000000000 0.17472056344569 0.58434675974104 44.956 > 1 24 Sc 0.83333333333333 0.17472056344569 0.58434675974104 44.956 > 1 25 Sc 0.16666666666667 0.17472056344569 0.91768009307437 44.956 > 1 26 Sc 0.50000000000000 0.17472056344569 0.91768009307437 44.956 > 1 27 Sc 0.83333333333333 0.17472056344569 0.91768009307437 44.956 > 1 28 Sc 0.00000000000000 0.32527943655431 0.08434675974104 44.956 > 2 29 Sc 0.33333333333333 0.32527943655431 0.08434675974104 44.956 > 2 30 Sc 0.66666666666667 0.32527943655431 0.08434675974104 44.956 > 2 31 Sc 0.00000000000000 0.32527943655431 0.41768009307437 44.956 > 2 32 Sc 0.33333333333333 0.32527943655431 0.41768009307437 44.956 > 2 33 Sc 0.66666666666667 0.32527943655431 0.41768009307437 44.956 > 2 34 Sc 0.00000000000000 0.32527943655431 0.75101342640771 44.956 > 2 35 Sc 0.33333333333333 0.32527943655431 0.75101342640771 44.956 > 2 36 Sc 0.66666666666667 0.32527943655431 0.75101342640771 44.956 > 2 *37 H 0.16666666666667 0.51305399658819 0.18571309266181 1.008 > 3 38 H 0.50000000000000 0.51305399658819 0.18571309266181 1.008 > 3 39 H 0.83333333333333 0.51305399658819 0.18571309266181 1.008 > 3 40 H 0.16666666666667 0.51305399658819 0.51904642599515 1.008 > 3 41 H 0.50000000000000 0.51305399658819 0.51904642599515 1.008 > 3 42 H 0.83333333333333 0.51305399658819 0.51904642599515 1.008 > 3 43 H 0.16666666666667 0.51305399658819 0.85237975932848 1.008 > 3 44 H 0.50000000000000 0.51305399658819 0.85237975932848 1.008 > 3 45 H 0.83333333333333 0.51305399658819 0.85237975932848 1.008 > 3 46 H 0.00000000000000 0.98694600341181 0.01904642599515 1.008 > 4 47 H 0.33333333333333 0.98694600341181 0.01904642599515 1.008 > 4 48 H 0.66666666666667 0.98694600341181 0.01904642599515 1.008 > 4 49 H 0.00000000000000 0.98694600341181 0.35237975932848 1.008 > 4 50 H 0.33333333333333 0.98694600341181 0.35237975932848 1.008 > 4 51 H 0.66666666666667 0.98694600341181 0.35237975932848 1.008 > 4 52 H 0.00000000000000 0.98694600341181 0.68571309266181 1.008 > 4 53 H 0.33333333333333 0.98694600341181 0.68571309266181 1.008 > 4 54 H 0.66666666666667 0.98694600341181 0.68571309266181 1.008 > 4 55 H 0.00000000000000 0.01305399658819 0.18571309266181 1.008 > 3 56 H 0.33333333333333 0.01305399658819 0.18571309266181 1.008 > 3 57 H 0.66666666666667 0.01305399658819 0.18571309266181 1.008 > 3 58 H 0.00000000000000 0.01305399658819 0.51904642599515 1.008 > 3 59 H 0.33333333333333 0.01305399658819 0.51904642599515 1.008 > 3 60 H 0.66666666666667 0.01305399658819 0.51904642599515 1.008 > 3 61 H 0.00000000000000 0.01305399658819 0.85237975932848 1.008 > 3 62 H 0.33333333333333 0.01305399658819 0.85237975932848 1.008 > 3 63 H 0.66666666666667 0.01305399658819 0.85237975932848 1.008 > 3 64 H 0.16666666666667 0.48694600341181 0.01904642599515 1.008 > 4 65 H 0.50000000000000 0.48694600341181 0.01904642599515 1.008 > 4 66 H 0.83333333333333 0.48694600341181 0.01904642599515 1.008 > 4 67 H 0.16666666666667 0.48694600341181 0.35237975932848 1.008 > 4 68 H 0.50000000000000 0.48694600341181 0.35237975932848 1.008 > 4 69 H 0.83333333333333 0.48694600341181 0.35237975932848 1.008 > 4 70 H 0.16666666666667 0.48694600341181 0.68571309266181 1.008 > 4 71 H 0.50000000000000 0.48694600341181 0.68571309266181 1.008 > 4 72 H 0.83333333333333 0.48694600341181 0.68571309266181 1.008 > 4 *73 O 0.16666666666667 0.78523889724161 0.25074333809671 15.999 > 5 74 O 0.50000000000000 0.78523889724161 0.25074333809671 15.999 > 5 75 O 0.83333333333333 0.78523889724161 0.25074333809671 15.999 > 5 76 O 0.16666666666667 0.78523889724161 0.58407667143004 15.999 > 5 77 O 0.50000000000000 0.78523889724161 0.58407667143004 15.999 > 5 78 O 0.83333333333333 0.78523889724161 0.58407667143004 15.999 > 5 79 O 0.16666666666667 0.78523889724161 0.91741000476337 15.999 > 5 80 O 0.50000000000000 0.78523889724161 0.91741000476337 15.999 > 5 81 O 0.83333333333333 0.78523889724161 0.91741000476337 15.999 > 5 82 O 0.00000000000000 0.71476110275839 0.08407667143004 15.999 > 6 83 O 0.33333333333333 0.71476110275839 0.08407667143004 15.999 > 6 84 O 0.66666666666667 0.71476110275839 0.08407667143004 15.999 > 6 85 O 0.00000000000000 0.71476110275839 0.41741000476337 15.999 > 6 86 O 0.33333333333333 0.71476110275839 0.41741000476337 15.999 > 6 87 O 0.66666666666667 0.71476110275839 0.41741000476337 15.999 > 6 88 O 0.00000000000000 0.71476110275839 0.75074333809671 15.999 > 6 89 O 0.33333333333333 0.71476110275839 0.75074333809671 15.999 > 6 90 O 0.66666666666667 0.71476110275839 0.75074333809671 15.999 > 6 *91 O 0.16666666666667 0.56645652369338 0.24939713283376 15.999 > 7 92 O 0.50000000000000 0.56645652369338 0.24939713283376 15.999 > 7 93 O 0.83333333333333 0.56645652369338 0.24939713283376 15.999 > 7 94 O 0.16666666666667 0.56645652369338 0.58273046616710 15.999 > 7 95 O 0.50000000000000 0.56645652369338 0.58273046616710 15.999 > 7 96 O 0.83333333333333 0.56645652369338 0.58273046616710 15.999 > 7 97 O 0.16666666666667 0.56645652369338 0.91606379950043 15.999 > 7 98 O 0.50000000000000 0.56645652369338 0.91606379950043 15.999 > 7 99 O 0.83333333333333 0.56645652369338 0.91606379950043 15.999 > 7 100 O 0.00000000000000 0.93354347630662 0.08273046616710 15.999 > 8 101 O 0.33333333333333 0.93354347630662 0.08273046616710 15.999 > 8 102 O 0.66666666666667 0.93354347630662 0.08273046616710 15.999 > 8 103 O 0.00000000000000 0.93354347630662 0.41606379950043 15.999 > 8 104 O 0.33333333333333 0.93354347630662 0.41606379950043 15.999 > 8 105 O 0.66666666666667 0.93354347630662 0.41606379950043 15.999 > 8 106 O 0.00000000000000 0.93354347630662 0.74939713283377 15.999 > 8 107 O 0.33333333333333 0.93354347630662 0.74939713283377 15.999 > 8 108 O 0.66666666666667 0.93354347630662 0.74939713283377 15.999 > 8 109 O 0.00000000000000 0.28523889724161 0.25074333809671 15.999 > 5 110 O 0.33333333333333 0.28523889724161 0.25074333809671 15.999 > 5 111 O 0.66666666666667 0.28523889724161 0.25074333809671 15.999 > 5 112 O 0.00000000000000 0.28523889724161 0.58407667143004 15.999 > 5 113 O 0.33333333333333 0.28523889724161 0.58407667143004 15.999 > 5 114 O 0.66666666666667 0.28523889724161 0.58407667143004 15.999 > 5 115 O 0.00000000000000 0.28523889724161 0.91741000476337 15.999 > 5 116 O 0.33333333333333 0.28523889724161 0.91741000476337 15.999 > 5 117 O 0.66666666666667 0.28523889724161 0.91741000476337 15.999 > 5 118 O 0.16666666666667 0.21476110275839 0.08407667143004 15.999 > 6 119 O 0.50000000000000 0.21476110275839 0.08407667143004 15.999 > 6 120 O 0.83333333333333 0.21476110275839 0.08407667143004 15.999 > 6 121 O 0.16666666666667 0.21476110275839 0.41741000476337 15.999 > 6 122 O 0.50000000000000 0.21476110275839 0.41741000476337 15.999 > 6 123 O 0.83333333333333 0.21476110275839 0.41741000476337 15.999 > 6 124 O 0.16666666666667 0.21476110275839 0.75074333809671 15.999 > 6 125 O 0.50000000000000 0.21476110275839 0.75074333809671 15.999 > 6 126 O 0.83333333333333 0.21476110275839 0.75074333809671 15.999 > 6 127 O 0.00000000000000 0.06645652369338 0.24939713283376 15.999 > 7 128 O 0.33333333333333 0.06645652369338 0.24939713283376 15.999 > 7 129 O 0.66666666666667 0.06645652369338 0.24939713283376 15.999 > 7 130 O 0.00000000000000 0.06645652369338 0.58273046616710 15.999 > 7 131 O 0.33333333333333 0.06645652369338 0.58273046616710 15.999 > 7 132 O 0.66666666666667 0.06645652369338 0.58273046616710 15.999 > 7 133 O 0.00000000000000 0.06645652369338 0.91606379950043 15.999 > 7 134 O 0.33333333333333 0.06645652369338 0.91606379950043 15.999 > 7 135 O 0.66666666666667 0.06645652369338 0.91606379950043 15.999 > 7 136 O 0.16666666666667 0.43354347630662 0.08273046616710 15.999 > 8 137 O 0.50000000000000 0.43354347630662 0.08273046616710 15.999 > 8 138 O 0.83333333333333 0.43354347630662 0.08273046616710 15.999 > 8 139 O 0.16666666666667 0.43354347630662 0.41606379950043 15.999 > 8 140 O 0.50000000000000 0.43354347630662 0.41606379950043 15.999 > 8 141 O 0.83333333333333 0.43354347630662 0.41606379950043 15.999 > 8 142 O 0.16666666666667 0.43354347630662 0.74939713283377 15.999 > 8 143 O 0.50000000000000 0.43354347630662 0.74939713283377 15.999 > 8 144 O 0.83333333333333 0.43354347630662 0.74939713283377 15.999 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8827524 0.0000000 0.0000000 0.0000000 3.4666047 0.0000000 0.0000000 0.0000000 4.1618376 -------------------------- Born effective charges -------------------------- 1 Sc 4.0733595 0.0000000 0.0000000 0.0000000 2.9252563 0.0178140 0.0000000 0.0395460 4.0173665 2 Sc 4.0733595 0.0000000 0.0000000 0.0000000 2.9252563 -0.0178140 0.0000000 -0.0395460 4.0173665 3 H 0.2285552 0.0000000 0.0000000 0.0000000 1.1659067 0.9818316 0.0000000 0.6525744 1.0574823 4 H 0.2285552 0.0000000 0.0000000 0.0000000 1.1659067 -0.9818316 0.0000000 -0.6525744 1.0574823 5 O -2.3245165 0.0000000 0.0000000 0.0000000 -1.5636386 -0.0102575 0.0000000 0.0083467 -3.4461270 6 O -2.3245165 0.0000000 0.0000000 0.0000000 -1.5636386 0.0102575 0.0000000 -0.0083467 -3.4461270 7 O -1.9773982 0.0000000 0.0000000 0.0000000 -2.5275244 -0.0918043 0.0000000 -0.0995805 -1.6287218 8 O -1.9773982 0.0000000 0.0000000 0.0000000 -2.5275244 0.0918043 0.0000000 0.0995805 -1.6287218 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 6432/6432 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1392 Number of blocks in projector: 1392 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 208 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 208 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 208 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1392, 1372), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (208, 204), data: True |-- (208, 204), data: True |-- (208, 204), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 240 - Time: 2.338 Solver_block: 200 / 240 - Time: 2.323 Solver_block: 240 / 240 - Time: 1.005 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.701 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 6432/6432 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1392 Number of blocks in projector: 1392 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 208 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 208 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 208 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1392, 1372), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (208, 204), data: True |-- (208, 204), data: True |-- (208, 204), data: True |-- (384, 376), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:28:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:28:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.618656980000000 -6.354714245000000 0.000000000000000 b 1.618656980000000 6.354714245000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.010809040000000 Atomic positions (fractional): 1 Sc 0.32527943655431 0.67472056344569 0.75304027922312 44.956 2 Sc 0.67472056344569 0.32527943655431 0.25304027922312 44.956 3 H 0.98694600341181 0.01305399658819 0.55713927798544 1.008 4 H 0.01305399658819 0.98694600341181 0.05713927798544 1.008 5 O 0.71476110275839 0.28523889724161 0.75223001429012 15.999 6 O 0.28523889724161 0.71476110275839 0.25223001429012 15.999 7 O 0.93354347630662 0.06645652369338 0.74819139850130 15.999 8 O 0.06645652369338 0.93354347630662 0.24819139850130 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.711941879999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.709428490000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.032427119999999 Atomic positions (fractional): 1 Sc 0.00000000000000 0.67472056344569 0.25101342640771 44.956 > 1 2 Sc 0.33333333333333 0.67472056344569 0.25101342640771 44.956 > 1 3 Sc 0.66666666666667 0.67472056344569 0.25101342640771 44.956 > 1 4 Sc 0.00000000000000 0.67472056344569 0.58434675974104 44.956 > 1 5 Sc 0.33333333333333 0.67472056344569 0.58434675974104 44.956 > 1 6 Sc 0.66666666666667 0.67472056344569 0.58434675974104 44.956 > 1 7 Sc 0.00000000000000 0.67472056344569 0.91768009307437 44.956 > 1 8 Sc 0.33333333333333 0.67472056344569 0.91768009307437 44.956 > 1 9 Sc 0.66666666666667 0.67472056344569 0.91768009307437 44.956 > 1 10 Sc 0.16666666666667 0.82527943655431 0.08434675974104 44.956 > 10 11 Sc 0.50000000000000 0.82527943655431 0.08434675974104 44.956 > 10 12 Sc 0.83333333333333 0.82527943655431 0.08434675974104 44.956 > 10 13 Sc 0.16666666666667 0.82527943655431 0.41768009307437 44.956 > 10 14 Sc 0.50000000000000 0.82527943655431 0.41768009307437 44.956 > 10 15 Sc 0.83333333333333 0.82527943655431 0.41768009307437 44.956 > 10 16 Sc 0.16666666666667 0.82527943655431 0.75101342640771 44.956 > 10 17 Sc 0.50000000000000 0.82527943655431 0.75101342640771 44.956 > 10 18 Sc 0.83333333333333 0.82527943655431 0.75101342640771 44.956 > 10 19 Sc 0.16666666666667 0.17472056344569 0.25101342640771 44.956 > 1 20 Sc 0.50000000000000 0.17472056344569 0.25101342640771 44.956 > 1 21 Sc 0.83333333333333 0.17472056344569 0.25101342640771 44.956 > 1 22 Sc 0.16666666666667 0.17472056344569 0.58434675974104 44.956 > 1 23 Sc 0.50000000000000 0.17472056344569 0.58434675974104 44.956 > 1 24 Sc 0.83333333333333 0.17472056344569 0.58434675974104 44.956 > 1 25 Sc 0.16666666666667 0.17472056344569 0.91768009307437 44.956 > 1 26 Sc 0.50000000000000 0.17472056344569 0.91768009307437 44.956 > 1 27 Sc 0.83333333333333 0.17472056344569 0.91768009307437 44.956 > 1 28 Sc 0.00000000000000 0.32527943655431 0.08434675974104 44.956 > 10 29 Sc 0.33333333333333 0.32527943655431 0.08434675974104 44.956 > 10 30 Sc 0.66666666666667 0.32527943655431 0.08434675974104 44.956 > 10 31 Sc 0.00000000000000 0.32527943655431 0.41768009307437 44.956 > 10 32 Sc 0.33333333333333 0.32527943655431 0.41768009307437 44.956 > 10 33 Sc 0.66666666666667 0.32527943655431 0.41768009307437 44.956 > 10 34 Sc 0.00000000000000 0.32527943655431 0.75101342640771 44.956 > 10 35 Sc 0.33333333333333 0.32527943655431 0.75101342640771 44.956 > 10 36 Sc 0.66666666666667 0.32527943655431 0.75101342640771 44.956 > 10 37 H 0.16666666666667 0.51305399658819 0.18571309266181 1.008 > 37 38 H 0.50000000000000 0.51305399658819 0.18571309266181 1.008 > 37 39 H 0.83333333333333 0.51305399658819 0.18571309266181 1.008 > 37 40 H 0.16666666666667 0.51305399658819 0.51904642599515 1.008 > 37 41 H 0.50000000000000 0.51305399658819 0.51904642599515 1.008 > 37 42 H 0.83333333333333 0.51305399658819 0.51904642599515 1.008 > 37 43 H 0.16666666666667 0.51305399658819 0.85237975932848 1.008 > 37 44 H 0.50000000000000 0.51305399658819 0.85237975932848 1.008 > 37 45 H 0.83333333333333 0.51305399658819 0.85237975932848 1.008 > 37 46 H 0.00000000000000 0.98694600341181 0.01904642599515 1.008 > 46 47 H 0.33333333333333 0.98694600341181 0.01904642599515 1.008 > 46 48 H 0.66666666666667 0.98694600341181 0.01904642599515 1.008 > 46 49 H 0.00000000000000 0.98694600341181 0.35237975932848 1.008 > 46 50 H 0.33333333333333 0.98694600341181 0.35237975932848 1.008 > 46 51 H 0.66666666666667 0.98694600341181 0.35237975932848 1.008 > 46 52 H 0.00000000000000 0.98694600341181 0.68571309266181 1.008 > 46 53 H 0.33333333333333 0.98694600341181 0.68571309266181 1.008 > 46 54 H 0.66666666666667 0.98694600341181 0.68571309266181 1.008 > 46 55 H 0.00000000000000 0.01305399658819 0.18571309266181 1.008 > 37 56 H 0.33333333333333 0.01305399658819 0.18571309266181 1.008 > 37 57 H 0.66666666666667 0.01305399658819 0.18571309266181 1.008 > 37 58 H 0.00000000000000 0.01305399658819 0.51904642599515 1.008 > 37 59 H 0.33333333333333 0.01305399658819 0.51904642599515 1.008 > 37 60 H 0.66666666666667 0.01305399658819 0.51904642599515 1.008 > 37 61 H 0.00000000000000 0.01305399658819 0.85237975932848 1.008 > 37 62 H 0.33333333333333 0.01305399658819 0.85237975932848 1.008 > 37 63 H 0.66666666666667 0.01305399658819 0.85237975932848 1.008 > 37 64 H 0.16666666666667 0.48694600341181 0.01904642599515 1.008 > 46 65 H 0.50000000000000 0.48694600341181 0.01904642599515 1.008 > 46 66 H 0.83333333333333 0.48694600341181 0.01904642599515 1.008 > 46 67 H 0.16666666666667 0.48694600341181 0.35237975932848 1.008 > 46 68 H 0.50000000000000 0.48694600341181 0.35237975932848 1.008 > 46 69 H 0.83333333333333 0.48694600341181 0.35237975932848 1.008 > 46 70 H 0.16666666666667 0.48694600341181 0.68571309266181 1.008 > 46 71 H 0.50000000000000 0.48694600341181 0.68571309266181 1.008 > 46 72 H 0.83333333333333 0.48694600341181 0.68571309266181 1.008 > 46 73 O 0.16666666666667 0.78523889724161 0.25074333809671 15.999 > 73 74 O 0.50000000000000 0.78523889724161 0.25074333809671 15.999 > 73 75 O 0.83333333333333 0.78523889724161 0.25074333809671 15.999 > 73 76 O 0.16666666666667 0.78523889724161 0.58407667143004 15.999 > 73 77 O 0.50000000000000 0.78523889724161 0.58407667143004 15.999 > 73 78 O 0.83333333333333 0.78523889724161 0.58407667143004 15.999 > 73 79 O 0.16666666666667 0.78523889724161 0.91741000476337 15.999 > 73 80 O 0.50000000000000 0.78523889724161 0.91741000476337 15.999 > 73 81 O 0.83333333333333 0.78523889724161 0.91741000476337 15.999 > 73 82 O 0.00000000000000 0.71476110275839 0.08407667143004 15.999 > 82 83 O 0.33333333333333 0.71476110275839 0.08407667143004 15.999 > 82 84 O 0.66666666666667 0.71476110275839 0.08407667143004 15.999 > 82 85 O 0.00000000000000 0.71476110275839 0.41741000476337 15.999 > 82 86 O 0.33333333333333 0.71476110275839 0.41741000476337 15.999 > 82 87 O 0.66666666666667 0.71476110275839 0.41741000476337 15.999 > 82 88 O 0.00000000000000 0.71476110275839 0.75074333809671 15.999 > 82 89 O 0.33333333333333 0.71476110275839 0.75074333809671 15.999 > 82 90 O 0.66666666666667 0.71476110275839 0.75074333809671 15.999 > 82 91 O 0.16666666666667 0.56645652369338 0.24939713283376 15.999 > 91 92 O 0.50000000000000 0.56645652369338 0.24939713283376 15.999 > 91 93 O 0.83333333333333 0.56645652369338 0.24939713283376 15.999 > 91 94 O 0.16666666666667 0.56645652369338 0.58273046616710 15.999 > 91 95 O 0.50000000000000 0.56645652369338 0.58273046616710 15.999 > 91 96 O 0.83333333333333 0.56645652369338 0.58273046616710 15.999 > 91 97 O 0.16666666666667 0.56645652369338 0.91606379950043 15.999 > 91 98 O 0.50000000000000 0.56645652369338 0.91606379950043 15.999 > 91 99 O 0.83333333333333 0.56645652369338 0.91606379950043 15.999 > 91 100 O 0.00000000000000 0.93354347630662 0.08273046616710 15.999 > 100 101 O 0.33333333333333 0.93354347630662 0.08273046616710 15.999 > 100 102 O 0.66666666666667 0.93354347630662 0.08273046616710 15.999 > 100 103 O 0.00000000000000 0.93354347630662 0.41606379950043 15.999 > 100 104 O 0.33333333333333 0.93354347630662 0.41606379950043 15.999 > 100 105 O 0.66666666666667 0.93354347630662 0.41606379950043 15.999 > 100 106 O 0.00000000000000 0.93354347630662 0.74939713283377 15.999 > 100 107 O 0.33333333333333 0.93354347630662 0.74939713283377 15.999 > 100 108 O 0.66666666666667 0.93354347630662 0.74939713283377 15.999 > 100 109 O 0.00000000000000 0.28523889724161 0.25074333809671 15.999 > 73 110 O 0.33333333333333 0.28523889724161 0.25074333809671 15.999 > 73 111 O 0.66666666666667 0.28523889724161 0.25074333809671 15.999 > 73 112 O 0.00000000000000 0.28523889724161 0.58407667143004 15.999 > 73 113 O 0.33333333333333 0.28523889724161 0.58407667143004 15.999 > 73 114 O 0.66666666666667 0.28523889724161 0.58407667143004 15.999 > 73 115 O 0.00000000000000 0.28523889724161 0.91741000476337 15.999 > 73 116 O 0.33333333333333 0.28523889724161 0.91741000476337 15.999 > 73 117 O 0.66666666666667 0.28523889724161 0.91741000476337 15.999 > 73 118 O 0.16666666666667 0.21476110275839 0.08407667143004 15.999 > 82 119 O 0.50000000000000 0.21476110275839 0.08407667143004 15.999 > 82 120 O 0.83333333333333 0.21476110275839 0.08407667143004 15.999 > 82 121 O 0.16666666666667 0.21476110275839 0.41741000476337 15.999 > 82 122 O 0.50000000000000 0.21476110275839 0.41741000476337 15.999 > 82 123 O 0.83333333333333 0.21476110275839 0.41741000476337 15.999 > 82 124 O 0.16666666666667 0.21476110275839 0.75074333809671 15.999 > 82 125 O 0.50000000000000 0.21476110275839 0.75074333809671 15.999 > 82 126 O 0.83333333333333 0.21476110275839 0.75074333809671 15.999 > 82 127 O 0.00000000000000 0.06645652369338 0.24939713283376 15.999 > 91 128 O 0.33333333333333 0.06645652369338 0.24939713283376 15.999 > 91 129 O 0.66666666666667 0.06645652369338 0.24939713283376 15.999 > 91 130 O 0.00000000000000 0.06645652369338 0.58273046616710 15.999 > 91 131 O 0.33333333333333 0.06645652369338 0.58273046616710 15.999 > 91 132 O 0.66666666666667 0.06645652369338 0.58273046616710 15.999 > 91 133 O 0.00000000000000 0.06645652369338 0.91606379950043 15.999 > 91 134 O 0.33333333333333 0.06645652369338 0.91606379950043 15.999 > 91 135 O 0.66666666666667 0.06645652369338 0.91606379950043 15.999 > 91 136 O 0.16666666666667 0.43354347630662 0.08273046616710 15.999 > 100 137 O 0.50000000000000 0.43354347630662 0.08273046616710 15.999 > 100 138 O 0.83333333333333 0.43354347630662 0.08273046616710 15.999 > 100 139 O 0.16666666666667 0.43354347630662 0.41606379950043 15.999 > 100 140 O 0.50000000000000 0.43354347630662 0.41606379950043 15.999 > 100 141 O 0.83333333333333 0.43354347630662 0.41606379950043 15.999 > 100 142 O 0.16666666666667 0.43354347630662 0.74939713283377 15.999 > 100 143 O 0.50000000000000 0.43354347630662 0.74939713283377 15.999 > 100 144 O 0.83333333333333 0.43354347630662 0.74939713283377 15.999 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8827524 0.0000000 0.0000000 0.0000000 3.4666047 0.0000000 0.0000000 0.0000000 4.1618376 -------------------------- Born effective charges -------------------------- 1 Sc 4.0733595 0.0000000 0.0000000 0.0000000 2.9252563 0.0178140 0.0000000 0.0395460 4.0173665 2 Sc 4.0733595 0.0000000 0.0000000 0.0000000 2.9252563 -0.0178140 0.0000000 -0.0395460 4.0173665 3 H 0.2285552 0.0000000 0.0000000 0.0000000 1.1659067 0.9818316 0.0000000 0.6525744 1.0574823 4 H 0.2285552 0.0000000 0.0000000 0.0000000 1.1659067 -0.9818316 0.0000000 -0.6525744 1.0574823 5 O -2.3245165 0.0000000 0.0000000 0.0000000 -1.5636386 -0.0102575 0.0000000 0.0083467 -3.4461270 6 O -2.3245165 0.0000000 0.0000000 0.0000000 -1.5636386 0.0102575 0.0000000 -0.0083467 -3.4461270 7 O -1.9773982 0.0000000 0.0000000 0.0000000 -2.5275244 -0.0918043 0.0000000 -0.0995805 -1.6287218 8 O -1.9773982 0.0000000 0.0000000 0.0000000 -2.5275244 0.0918043 0.0000000 0.0995805 -1.6287218 ---------------------------------------------------------------------------- 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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 91, 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: -0.00000004 (yyy) -0.00000004 (yyy) -0.00000004 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:28:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:28:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.618656980000000 -6.354714245000000 0.000000000000000 b 1.618656980000000 6.354714245000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.010809040000000 Atomic positions (fractional): 1 Sc 0.32527943655431 0.67472056344569 0.75304027922312 44.956 2 Sc 0.67472056344569 0.32527943655431 0.25304027922312 44.956 3 H 0.98694600341181 0.01305399658819 0.55713927798544 1.008 4 H 0.01305399658819 0.98694600341181 0.05713927798544 1.008 5 O 0.71476110275839 0.28523889724161 0.75223001429012 15.999 6 O 0.28523889724161 0.71476110275839 0.25223001429012 15.999 7 O 0.93354347630662 0.06645652369338 0.74819139850130 15.999 8 O 0.06645652369338 0.93354347630662 0.24819139850130 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.711941879999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.709428490000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.032427119999999 Atomic positions (fractional): 1 Sc 0.00000000000000 0.67472056344569 0.25101342640771 44.956 > 1 2 Sc 0.33333333333333 0.67472056344569 0.25101342640771 44.956 > 1 3 Sc 0.66666666666667 0.67472056344569 0.25101342640771 44.956 > 1 4 Sc 0.00000000000000 0.67472056344569 0.58434675974104 44.956 > 1 5 Sc 0.33333333333333 0.67472056344569 0.58434675974104 44.956 > 1 6 Sc 0.66666666666667 0.67472056344569 0.58434675974104 44.956 > 1 7 Sc 0.00000000000000 0.67472056344569 0.91768009307437 44.956 > 1 8 Sc 0.33333333333333 0.67472056344569 0.91768009307437 44.956 > 1 9 Sc 0.66666666666667 0.67472056344569 0.91768009307437 44.956 > 1 10 Sc 0.16666666666667 0.82527943655431 0.08434675974104 44.956 > 10 11 Sc 0.50000000000000 0.82527943655431 0.08434675974104 44.956 > 10 12 Sc 0.83333333333333 0.82527943655431 0.08434675974104 44.956 > 10 13 Sc 0.16666666666667 0.82527943655431 0.41768009307437 44.956 > 10 14 Sc 0.50000000000000 0.82527943655431 0.41768009307437 44.956 > 10 15 Sc 0.83333333333333 0.82527943655431 0.41768009307437 44.956 > 10 16 Sc 0.16666666666667 0.82527943655431 0.75101342640771 44.956 > 10 17 Sc 0.50000000000000 0.82527943655431 0.75101342640771 44.956 > 10 18 Sc 0.83333333333333 0.82527943655431 0.75101342640771 44.956 > 10 19 Sc 0.16666666666667 0.17472056344569 0.25101342640771 44.956 > 1 20 Sc 0.50000000000000 0.17472056344569 0.25101342640771 44.956 > 1 21 Sc 0.83333333333333 0.17472056344569 0.25101342640771 44.956 > 1 22 Sc 0.16666666666667 0.17472056344569 0.58434675974104 44.956 > 1 23 Sc 0.50000000000000 0.17472056344569 0.58434675974104 44.956 > 1 24 Sc 0.83333333333333 0.17472056344569 0.58434675974104 44.956 > 1 25 Sc 0.16666666666667 0.17472056344569 0.91768009307437 44.956 > 1 26 Sc 0.50000000000000 0.17472056344569 0.91768009307437 44.956 > 1 27 Sc 0.83333333333333 0.17472056344569 0.91768009307437 44.956 > 1 28 Sc 0.00000000000000 0.32527943655431 0.08434675974104 44.956 > 10 29 Sc 0.33333333333333 0.32527943655431 0.08434675974104 44.956 > 10 30 Sc 0.66666666666667 0.32527943655431 0.08434675974104 44.956 > 10 31 Sc 0.00000000000000 0.32527943655431 0.41768009307437 44.956 > 10 32 Sc 0.33333333333333 0.32527943655431 0.41768009307437 44.956 > 10 33 Sc 0.66666666666667 0.32527943655431 0.41768009307437 44.956 > 10 34 Sc 0.00000000000000 0.32527943655431 0.75101342640771 44.956 > 10 35 Sc 0.33333333333333 0.32527943655431 0.75101342640771 44.956 > 10 36 Sc 0.66666666666667 0.32527943655431 0.75101342640771 44.956 > 10 37 H 0.16666666666667 0.51305399658819 0.18571309266181 1.008 > 37 38 H 0.50000000000000 0.51305399658819 0.18571309266181 1.008 > 37 39 H 0.83333333333333 0.51305399658819 0.18571309266181 1.008 > 37 40 H 0.16666666666667 0.51305399658819 0.51904642599515 1.008 > 37 41 H 0.50000000000000 0.51305399658819 0.51904642599515 1.008 > 37 42 H 0.83333333333333 0.51305399658819 0.51904642599515 1.008 > 37 43 H 0.16666666666667 0.51305399658819 0.85237975932848 1.008 > 37 44 H 0.50000000000000 0.51305399658819 0.85237975932848 1.008 > 37 45 H 0.83333333333333 0.51305399658819 0.85237975932848 1.008 > 37 46 H 0.00000000000000 0.98694600341181 0.01904642599515 1.008 > 46 47 H 0.33333333333333 0.98694600341181 0.01904642599515 1.008 > 46 48 H 0.66666666666667 0.98694600341181 0.01904642599515 1.008 > 46 49 H 0.00000000000000 0.98694600341181 0.35237975932848 1.008 > 46 50 H 0.33333333333333 0.98694600341181 0.35237975932848 1.008 > 46 51 H 0.66666666666667 0.98694600341181 0.35237975932848 1.008 > 46 52 H 0.00000000000000 0.98694600341181 0.68571309266181 1.008 > 46 53 H 0.33333333333333 0.98694600341181 0.68571309266181 1.008 > 46 54 H 0.66666666666667 0.98694600341181 0.68571309266181 1.008 > 46 55 H 0.00000000000000 0.01305399658819 0.18571309266181 1.008 > 37 56 H 0.33333333333333 0.01305399658819 0.18571309266181 1.008 > 37 57 H 0.66666666666667 0.01305399658819 0.18571309266181 1.008 > 37 58 H 0.00000000000000 0.01305399658819 0.51904642599515 1.008 > 37 59 H 0.33333333333333 0.01305399658819 0.51904642599515 1.008 > 37 60 H 0.66666666666667 0.01305399658819 0.51904642599515 1.008 > 37 61 H 0.00000000000000 0.01305399658819 0.85237975932848 1.008 > 37 62 H 0.33333333333333 0.01305399658819 0.85237975932848 1.008 > 37 63 H 0.66666666666667 0.01305399658819 0.85237975932848 1.008 > 37 64 H 0.16666666666667 0.48694600341181 0.01904642599515 1.008 > 46 65 H 0.50000000000000 0.48694600341181 0.01904642599515 1.008 > 46 66 H 0.83333333333333 0.48694600341181 0.01904642599515 1.008 > 46 67 H 0.16666666666667 0.48694600341181 0.35237975932848 1.008 > 46 68 H 0.50000000000000 0.48694600341181 0.35237975932848 1.008 > 46 69 H 0.83333333333333 0.48694600341181 0.35237975932848 1.008 > 46 70 H 0.16666666666667 0.48694600341181 0.68571309266181 1.008 > 46 71 H 0.50000000000000 0.48694600341181 0.68571309266181 1.008 > 46 72 H 0.83333333333333 0.48694600341181 0.68571309266181 1.008 > 46 73 O 0.16666666666667 0.78523889724161 0.25074333809671 15.999 > 73 74 O 0.50000000000000 0.78523889724161 0.25074333809671 15.999 > 73 75 O 0.83333333333333 0.78523889724161 0.25074333809671 15.999 > 73 76 O 0.16666666666667 0.78523889724161 0.58407667143004 15.999 > 73 77 O 0.50000000000000 0.78523889724161 0.58407667143004 15.999 > 73 78 O 0.83333333333333 0.78523889724161 0.58407667143004 15.999 > 73 79 O 0.16666666666667 0.78523889724161 0.91741000476337 15.999 > 73 80 O 0.50000000000000 0.78523889724161 0.91741000476337 15.999 > 73 81 O 0.83333333333333 0.78523889724161 0.91741000476337 15.999 > 73 82 O 0.00000000000000 0.71476110275839 0.08407667143004 15.999 > 82 83 O 0.33333333333333 0.71476110275839 0.08407667143004 15.999 > 82 84 O 0.66666666666667 0.71476110275839 0.08407667143004 15.999 > 82 85 O 0.00000000000000 0.71476110275839 0.41741000476337 15.999 > 82 86 O 0.33333333333333 0.71476110275839 0.41741000476337 15.999 > 82 87 O 0.66666666666667 0.71476110275839 0.41741000476337 15.999 > 82 88 O 0.00000000000000 0.71476110275839 0.75074333809671 15.999 > 82 89 O 0.33333333333333 0.71476110275839 0.75074333809671 15.999 > 82 90 O 0.66666666666667 0.71476110275839 0.75074333809671 15.999 > 82 91 O 0.16666666666667 0.56645652369338 0.24939713283376 15.999 > 91 92 O 0.50000000000000 0.56645652369338 0.24939713283376 15.999 > 91 93 O 0.83333333333333 0.56645652369338 0.24939713283376 15.999 > 91 94 O 0.16666666666667 0.56645652369338 0.58273046616710 15.999 > 91 95 O 0.50000000000000 0.56645652369338 0.58273046616710 15.999 > 91 96 O 0.83333333333333 0.56645652369338 0.58273046616710 15.999 > 91 97 O 0.16666666666667 0.56645652369338 0.91606379950043 15.999 > 91 98 O 0.50000000000000 0.56645652369338 0.91606379950043 15.999 > 91 99 O 0.83333333333333 0.56645652369338 0.91606379950043 15.999 > 91 100 O 0.00000000000000 0.93354347630662 0.08273046616710 15.999 > 100 101 O 0.33333333333333 0.93354347630662 0.08273046616710 15.999 > 100 102 O 0.66666666666667 0.93354347630662 0.08273046616710 15.999 > 100 103 O 0.00000000000000 0.93354347630662 0.41606379950043 15.999 > 100 104 O 0.33333333333333 0.93354347630662 0.41606379950043 15.999 > 100 105 O 0.66666666666667 0.93354347630662 0.41606379950043 15.999 > 100 106 O 0.00000000000000 0.93354347630662 0.74939713283377 15.999 > 100 107 O 0.33333333333333 0.93354347630662 0.74939713283377 15.999 > 100 108 O 0.66666666666667 0.93354347630662 0.74939713283377 15.999 > 100 109 O 0.00000000000000 0.28523889724161 0.25074333809671 15.999 > 73 110 O 0.33333333333333 0.28523889724161 0.25074333809671 15.999 > 73 111 O 0.66666666666667 0.28523889724161 0.25074333809671 15.999 > 73 112 O 0.00000000000000 0.28523889724161 0.58407667143004 15.999 > 73 113 O 0.33333333333333 0.28523889724161 0.58407667143004 15.999 > 73 114 O 0.66666666666667 0.28523889724161 0.58407667143004 15.999 > 73 115 O 0.00000000000000 0.28523889724161 0.91741000476337 15.999 > 73 116 O 0.33333333333333 0.28523889724161 0.91741000476337 15.999 > 73 117 O 0.66666666666667 0.28523889724161 0.91741000476337 15.999 > 73 118 O 0.16666666666667 0.21476110275839 0.08407667143004 15.999 > 82 119 O 0.50000000000000 0.21476110275839 0.08407667143004 15.999 > 82 120 O 0.83333333333333 0.21476110275839 0.08407667143004 15.999 > 82 121 O 0.16666666666667 0.21476110275839 0.41741000476337 15.999 > 82 122 O 0.50000000000000 0.21476110275839 0.41741000476337 15.999 > 82 123 O 0.83333333333333 0.21476110275839 0.41741000476337 15.999 > 82 124 O 0.16666666666667 0.21476110275839 0.75074333809671 15.999 > 82 125 O 0.50000000000000 0.21476110275839 0.75074333809671 15.999 > 82 126 O 0.83333333333333 0.21476110275839 0.75074333809671 15.999 > 82 127 O 0.00000000000000 0.06645652369338 0.24939713283376 15.999 > 91 128 O 0.33333333333333 0.06645652369338 0.24939713283376 15.999 > 91 129 O 0.66666666666667 0.06645652369338 0.24939713283376 15.999 > 91 130 O 0.00000000000000 0.06645652369338 0.58273046616710 15.999 > 91 131 O 0.33333333333333 0.06645652369338 0.58273046616710 15.999 > 91 132 O 0.66666666666667 0.06645652369338 0.58273046616710 15.999 > 91 133 O 0.00000000000000 0.06645652369338 0.91606379950043 15.999 > 91 134 O 0.33333333333333 0.06645652369338 0.91606379950043 15.999 > 91 135 O 0.66666666666667 0.06645652369338 0.91606379950043 15.999 > 91 136 O 0.16666666666667 0.43354347630662 0.08273046616710 15.999 > 100 137 O 0.50000000000000 0.43354347630662 0.08273046616710 15.999 > 100 138 O 0.83333333333333 0.43354347630662 0.08273046616710 15.999 > 100 139 O 0.16666666666667 0.43354347630662 0.41606379950043 15.999 > 100 140 O 0.50000000000000 0.43354347630662 0.41606379950043 15.999 > 100 141 O 0.83333333333333 0.43354347630662 0.41606379950043 15.999 > 100 142 O 0.16666666666667 0.43354347630662 0.74939713283377 15.999 > 100 143 O 0.50000000000000 0.43354347630662 0.74939713283377 15.999 > 100 144 O 0.83333333333333 0.43354347630662 0.74939713283377 15.999 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8827524 0.0000000 0.0000000 0.0000000 3.4666047 0.0000000 0.0000000 0.0000000 4.1618376 -------------------------- Born effective charges -------------------------- 1 Sc 4.0733595 0.0000000 0.0000000 0.0000000 2.9252563 0.0178140 0.0000000 0.0395460 4.0173665 2 Sc 4.0733595 0.0000000 0.0000000 0.0000000 2.9252563 -0.0178140 0.0000000 -0.0395460 4.0173665 3 H 0.2285552 0.0000000 0.0000000 0.0000000 1.1659067 0.9818316 0.0000000 0.6525744 1.0574823 4 H 0.2285552 0.0000000 0.0000000 0.0000000 1.1659067 -0.9818316 0.0000000 -0.6525744 1.0574823 5 O -2.3245165 0.0000000 0.0000000 0.0000000 -1.5636386 -0.0102575 0.0000000 0.0083467 -3.4461270 6 O -2.3245165 0.0000000 0.0000000 0.0000000 -1.5636386 0.0102575 0.0000000 -0.0083467 -3.4461270 7 O -1.9773982 0.0000000 0.0000000 0.0000000 -2.5275244 -0.0918043 0.0000000 -0.0995805 -1.6287218 8 O -1.9773982 0.0000000 0.0000000 0.0000000 -2.5275244 0.0918043 0.0000000 0.0995805 -1.6287218 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (yyy) -0.00000004 (yyy) -0.00000004 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 12 ] 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: 0.95, Number of G-points: 293, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/511) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 511 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 5.296 ( 0.000 0.000 0.000) 0.000 5.540 ( 0.000 0.000 -0.000) 0.000 7.630 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 9.203 ( 0.000 0.000 0.000) 0.000 9.274 ( 0.000 0.000 -0.000) 0.000 9.980 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 11.158 ( 0.000 0.000 0.000) 0.000 12.727 ( 0.000 0.000 0.000) 0.000 12.790 ( 0.000 0.000 0.000) 0.000 13.875 ( 0.000 0.000 0.000) 0.000 15.435 ( 0.000 0.000 0.000) 0.000 16.061 ( 0.000 0.000 0.000) 0.000 17.236 ( 0.000 0.000 0.000) 0.000 24.698 ( 0.000 0.000 0.000) 0.000 28.933 ( 0.000 0.000 0.000) 0.000 30.921 ( 0.000 0.000 0.000) 0.000 38.163 ( 0.000 0.000 -0.000) 0.000 79.486 ( 0.000 0.000 0.000) 0.000 86.945 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/511) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 36.963 -16.378 0.000) 40.429 0.934 ( 45.600 -8.928 0.000) 46.466 1.656 ( 83.854 -3.568 0.000) 83.930 5.509 ( -1.116 3.825 0.000) 3.984 5.533 ( 22.608 0.328 0.000) 22.611 7.612 ( -3.074 -3.354 0.000) 4.550 8.549 ( -3.579 4.367 0.000) 5.646 9.244 ( -2.292 0.600 0.000) 2.369 9.972 ( 1.820 -1.809 0.000) 2.567 10.085 ( 10.130 -0.035 0.000) 10.130 11.156 ( -0.222 -0.058 0.000) 0.230 12.765 ( 3.968 -0.001 0.000) 3.968 12.817 ( 2.829 0.163 0.000) 2.833 13.842 ( -2.197 1.332 0.000) 2.569 15.228 ( 8.295 53.513 0.000) 54.152 15.954 ( -11.675 -3.235 0.000) 12.115 17.195 ( -4.201 0.076 0.000) 4.202 17.964 ( -5.253 -5.652 0.000) 7.716 24.692 ( -0.606 -0.002 0.000) 0.606 28.979 ( 4.679 -0.124 0.000) 4.680 31.607 ( 10.895 16.315 0.000) 19.618 38.155 ( -4.398 -6.671 0.000) 7.990 79.485 ( -0.112 -0.039 0.000) 0.119 87.122 ( -29.153 -90.567 0.000) 95.143 ======================= Grid point 2 (3/511) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 36.933 -13.896 0.000) 39.461 1.839 ( 43.652 -8.171 0.000) 44.410 3.253 ( 79.487 -2.851 0.000) 79.538 5.424 ( -3.980 6.657 0.000) 7.756 6.147 ( 38.401 0.157 0.000) 38.401 7.550 ( -5.202 -3.645 0.000) 6.352 8.416 ( -7.145 7.134 0.000) 10.097 9.194 ( -2.584 -0.167 0.000) 2.589 10.032 ( 3.438 -1.270 0.000) 3.665 10.331 ( 14.108 -0.127 0.000) 14.108 11.151 ( -0.256 0.024 0.000) 0.257 12.881 ( 7.971 -0.007 0.000) 7.971 12.901 ( 6.034 0.152 0.000) 6.036 13.778 ( -4.284 -2.119 0.000) 4.779 15.075 ( -5.425 19.890 0.000) 20.616 15.661 ( -20.175 -5.208 0.000) 20.836 17.074 ( -8.311 0.144 0.000) 8.312 17.848 ( -5.844 9.686 0.000) 11.313 24.675 ( -1.078 -0.037 0.000) 1.078 29.109 ( 8.557 -0.196 0.000) 8.560 31.794 ( 14.265 7.329 0.000) 16.038 38.081 ( -5.554 -2.578 0.000) 6.123 79.482 ( -0.159 -0.073 0.000) 0.174 86.952 ( -22.394 -43.674 0.000) 49.081 ======================= Grid point 3 (4/511) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 35.515 -10.472 0.000) 37.027 2.691 ( 40.423 -7.013 0.000) 41.027 4.725 ( 71.026 -0.635 0.000) 71.029 5.297 ( -4.951 8.741 0.000) 10.046 6.937 ( 40.638 -0.910 0.000) 40.648 7.452 ( -6.090 -3.340 0.000) 6.946 8.218 ( -9.211 5.653 0.000) 10.807 9.151 ( -1.959 -0.175 0.000) 1.967 10.110 ( 3.875 -0.718 0.000) 3.941 10.588 ( 11.524 -0.094 0.000) 11.524 11.149 ( 0.345 0.217 0.000) 0.408 13.051 ( 9.538 -0.163 0.000) 9.539 13.073 ( 11.967 -0.032 0.000) 11.967 13.713 ( -3.294 -3.354 0.000) 4.701 14.824 ( -13.471 7.633 0.000) 15.483 15.255 ( -24.002 -6.115 0.000) 24.769 16.874 ( -12.220 0.235 0.000) 12.222 17.642 ( -8.707 16.593 0.000) 18.739 24.652 ( -1.330 -0.116 0.000) 1.335 29.302 ( 11.014 -0.188 0.000) 11.016 32.073 ( 17.086 3.932 0.000) 17.532 37.972 ( -6.487 -1.058 0.000) 6.573 79.480 ( -0.126 -0.083 0.000) 0.151 86.698 ( -21.166 -25.364 0.000) 33.035 ======================= Grid point 4 (5/511) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 32.672 -5.882 0.000) 33.197 3.458 ( 35.578 -5.463 0.000) 35.995 5.158 ( -4.368 9.393 0.000) 10.359 5.922 ( 50.295 6.341 0.000) 50.694 7.255 ( -9.248 -4.808 0.000) 10.424 7.711 ( 27.939 3.594 0.000) 28.170 8.118 ( 6.267 -6.710 0.000) 9.182 9.118 ( -1.344 0.465 0.000) 1.422 10.183 ( 3.446 0.220 0.000) 3.453 10.746 ( 4.501 0.528 0.000) 4.532 11.172 ( 2.359 0.052 0.000) 2.360 13.252 ( 9.597 -1.330 0.000) 9.688 13.342 ( 15.786 -0.068 0.000) 15.786 13.714 ( 3.349 -2.006 0.000) 3.904 14.484 ( -19.015 2.557 0.000) 19.187 14.824 ( -22.924 -6.279 0.000) 23.769 16.602 ( -15.811 0.338 0.000) 15.815 17.354 ( -12.101 18.206 0.000) 21.860 24.627 ( -1.346 -0.211 0.000) 1.362 29.525 ( 11.718 -0.119 0.000) 11.718 32.399 ( 17.759 2.010 0.000) 17.872 37.848 ( -6.580 -0.338 0.000) 6.589 79.478 ( -0.047 -0.060 0.000) 0.077 86.399 ( -19.367 -13.917 0.000) 23.849 ======================= Grid point 5 (6/511) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.657 ( 28.906 0.141 0.000) 28.906 4.091 ( 26.527 -2.948 0.000) 26.690 5.067 ( 0.944 7.959 0.000) 8.015 6.399 ( 3.214 13.970 0.000) 14.335 7.046 ( -13.911 -3.746 0.000) 14.407 8.171 ( 29.569 -4.905 0.000) 29.973 8.586 ( 26.822 -10.767 0.000) 28.903 9.093 ( -0.762 1.012 0.000) 1.267 10.239 ( 2.751 1.249 0.000) 3.021 10.756 ( -2.617 1.674 0.000) 3.107 11.255 ( 6.448 -1.149 0.000) 6.550 13.367 ( 0.666 -2.522 0.000) 2.609 13.680 ( 19.090 -0.145 0.000) 19.090 13.907 ( 15.050 1.519 0.000) 15.127 14.068 ( -22.507 1.544 0.000) 22.560 14.477 ( -14.409 -6.318 0.000) 15.733 16.263 ( -18.946 0.409 0.000) 18.950 17.001 ( -15.680 15.564 0.000) 22.092 24.604 ( -1.162 -0.274 0.000) 1.194 29.744 ( 10.647 -0.035 0.000) 10.647 32.722 ( 15.984 0.844 0.000) 16.006 37.728 ( -5.787 -0.032 0.000) 5.787 79.478 ( 0.035 -0.025 0.000) 0.043 86.103 ( -16.098 -6.230 0.000) 17.261 ======================= Grid point 6 (7/511) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.159 ( 24.887 6.785 0.000) 25.795 4.435 ( 8.025 1.821 0.000) 8.229 5.200 ( 16.554 2.899 0.000) 16.806 6.128 ( -20.106 6.800 0.000) 21.225 6.764 ( -16.839 -2.950 0.000) 17.095 8.775 ( 24.007 -0.518 0.000) 24.013 9.055 ( 6.835 -1.713 0.000) 7.046 9.168 ( 19.716 -10.039 0.000) 22.124 10.279 ( 2.277 1.823 0.000) 2.917 10.651 ( -6.564 2.049 0.000) 6.876 11.447 ( 12.706 -3.220 0.000) 13.107 13.299 ( -11.103 -1.976 0.000) 11.277 13.602 ( -19.641 3.351 0.000) 19.925 14.063 ( 16.338 -0.419 0.000) 16.343 14.131 ( 6.852 3.181 0.000) 7.554 14.494 ( 16.792 -5.774 0.000) 17.757 15.870 ( -21.458 0.403 0.000) 21.462 16.597 ( -19.515 10.703 0.000) 22.257 24.585 ( -0.838 -0.262 0.000) 0.878 29.926 ( 8.038 0.020 0.000) 8.038 32.993 ( 12.011 0.225 0.000) 12.013 37.629 ( -4.267 0.051 0.000) 4.268 79.480 ( 0.083 -0.005 0.000) 0.083 85.853 ( -11.511 -1.804 0.000) 11.651 ======================= Grid point 7 (8/511) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.475 ( 0.077 2.537 0.000) 2.539 4.551 ( 19.744 10.345 0.000) 22.290 5.575 ( 14.313 -0.451 0.000) 14.320 5.712 ( -12.948 -1.187 0.000) 13.002 6.427 ( -19.404 -2.105 0.000) 19.518 8.970 ( 1.714 2.100 0.000) 2.711 9.208 ( 8.469 -1.629 0.000) 8.624 9.628 ( 16.925 -6.408 0.000) 18.097 10.314 ( 2.414 1.660 0.000) 2.930 10.510 ( -6.532 0.881 0.000) 6.592 11.789 ( 20.469 -5.328 0.000) 21.151 12.875 ( -27.797 2.655 0.000) 27.923 13.402 ( -3.193 2.461 0.000) 4.031 14.085 ( -1.345 -0.708 0.000) 1.520 14.521 ( 23.338 0.021 0.000) 23.338 14.963 ( 25.660 -2.254 0.000) 25.759 15.436 ( -23.153 0.330 0.000) 23.156 16.148 ( -22.217 5.874 0.000) 22.980 24.574 ( -0.436 -0.160 0.000) 0.464 30.047 ( 4.312 0.027 0.000) 4.312 33.172 ( 6.426 0.005 0.000) 6.426 37.566 ( -2.255 0.039 0.000) 2.255 79.481 ( 0.068 -0.001 0.000) 0.068 85.687 ( -5.997 -0.105 0.000) 5.998 ======================= Grid point 8 (9/511) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.465 ( 0.000 -0.000 0.000) 0.000 4.752 ( 0.000 -0.000 0.000) 0.000 5.435 ( 0.000 -0.000 0.000) 0.000 6.030 ( -0.000 -0.000 0.000) 0.000 6.045 ( 0.000 0.000 0.000) 0.000 8.974 ( 0.000 -0.000 0.000) 0.000 9.298 ( 0.000 -0.000 0.000) 0.000 9.810 ( 0.000 0.000 0.000) 0.000 10.347 ( 0.000 0.000 0.000) 0.000 10.427 ( 0.000 -0.000 0.000) 0.000 12.196 ( 0.000 -0.000 0.000) 0.000 12.399 ( 0.000 -0.000 0.000) 0.000 13.369 ( 0.000 -0.000 0.000) 0.000 14.075 ( 0.000 0.000 0.000) 0.000 14.974 ( -0.000 0.000 0.000) 0.000 14.984 ( 0.000 -0.000 0.000) 0.000 15.333 ( 0.000 -0.000 0.000) 0.000 15.808 ( -0.000 -0.000 0.000) 0.000 24.570 ( 0.000 -0.000 0.000) 0.000 30.089 ( 0.000 -0.000 0.000) 0.000 33.235 ( 0.000 -0.000 0.000) 0.000 37.544 ( 0.000 -0.000 0.000) 0.000 79.482 ( 0.000 -0.000 0.000) 0.000 85.628 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 18 (10/511) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 39.428 -0.000 0.000) 39.428 1.799 ( 44.924 -0.000 0.000) 44.924 3.239 ( 80.130 -0.000 0.000) 80.130 5.457 ( -4.116 0.000 0.000) 4.116 6.148 ( 38.177 -0.000 0.000) 38.177 7.531 ( -4.856 0.000 0.000) 4.856 8.452 ( -7.708 0.000 0.000) 7.708 9.193 ( -2.667 0.000 0.000) 2.667 10.026 ( 3.709 -0.000 0.000) 3.709 10.330 ( 14.091 -0.000 0.000) 14.091 11.151 ( -0.213 0.000 0.000) 0.213 12.881 ( 7.971 -0.000 0.000) 7.971 12.901 ( 5.980 -0.000 0.000) 5.980 13.767 ( -4.583 0.000 0.000) 4.583 15.185 ( -12.622 0.000 0.000) 12.622 15.626 ( -20.053 0.000 0.000) 20.053 17.074 ( -8.309 0.000 0.000) 8.309 17.899 ( -4.291 0.000 0.000) 4.291 24.675 ( -1.088 0.000 0.000) 1.088 29.108 ( 8.573 -0.000 0.000) 8.573 31.833 ( 12.098 -0.000 0.000) 12.098 38.067 ( -4.657 0.000 0.000) 4.657 79.482 ( -0.155 0.000 0.000) 0.155 86.724 ( -10.436 0.000 0.000) 10.436 ======================= Grid point 19 (11/511) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 38.010 -3.693 0.000) 38.189 2.644 ( 41.662 -2.402 0.000) 41.732 4.720 ( 72.278 -0.306 0.000) 72.278 5.356 ( -5.310 3.085 0.000) 6.141 6.930 ( 40.098 -0.328 0.000) 40.100 7.429 ( -5.003 -1.188 0.000) 5.142 8.256 ( -11.647 1.939 0.000) 11.807 9.149 ( -1.834 -0.087 0.000) 1.836 10.105 ( 4.237 -0.220 0.000) 4.242 10.587 ( 11.581 -0.074 0.000) 11.581 11.151 ( 0.399 0.095 0.000) 0.410 13.050 ( 9.335 -0.062 0.000) 9.335 13.073 ( 11.964 -0.012 0.000) 11.964 13.691 ( -2.980 -1.176 0.000) 3.203 14.882 ( -17.171 3.404 0.000) 17.505 15.208 ( -23.342 -2.837 0.000) 23.514 16.876 ( -12.212 0.078 0.000) 12.212 17.756 ( -9.049 6.123 0.000) 10.926 24.651 ( -1.351 -0.041 0.000) 1.351 29.300 ( 11.049 -0.067 0.000) 11.049 32.101 ( 15.814 1.513 0.000) 15.886 37.964 ( -6.017 -0.445 0.000) 6.034 79.479 ( -0.115 -0.023 0.000) 0.117 86.521 ( -13.663 -9.548 0.000) 16.668 ======================= Grid point 20 (12/511) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( 35.268 -3.112 0.000) 35.405 3.418 ( 36.811 -2.773 0.000) 36.915 5.229 ( -5.171 5.002 0.000) 7.195 5.969 ( 53.967 3.153 0.000) 54.059 7.217 ( -8.573 -2.803 0.000) 9.019 7.753 ( 32.050 4.277 0.000) 32.334 8.055 ( -3.473 -5.668 0.000) 6.648 9.122 ( -1.082 0.189 0.000) 1.098 10.185 ( 3.867 0.187 0.000) 3.872 10.749 ( 4.770 0.111 0.000) 4.771 11.173 ( 2.167 0.138 0.000) 2.171 13.242 ( 8.992 -0.736 0.000) 9.022 13.341 ( 15.771 -0.036 0.000) 15.771 13.699 ( 4.743 -1.020 0.000) 4.852 14.503 ( -20.695 1.258 0.000) 20.733 14.778 ( -21.934 -3.087 0.000) 22.150 16.604 ( -15.804 0.171 0.000) 15.805 17.493 ( -13.946 9.833 0.000) 17.064 24.625 ( -1.364 -0.114 0.000) 1.369 29.524 ( 11.761 -0.065 0.000) 11.761 32.415 ( 17.002 1.162 0.000) 17.041 37.845 ( -6.363 -0.228 0.000) 6.367 79.478 ( -0.029 -0.028 0.000) 0.040 86.290 ( -14.503 -7.897 0.000) 16.514 ======================= Grid point 21 (13/511) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( 31.725 0.120 0.000) 31.725 4.068 ( 28.267 -1.755 0.000) 28.321 5.133 ( -0.885 5.218 0.000) 5.293 6.519 ( 2.294 10.169 0.000) 10.425 7.013 ( -13.342 -2.862 0.000) 13.646 8.133 ( 27.819 -2.912 0.000) 27.971 8.491 ( 27.658 -8.079 0.000) 28.814 9.101 ( -0.860 0.612 0.000) 1.055 10.249 ( 3.017 0.835 0.000) 3.131 10.768 ( -2.317 0.861 0.000) 2.472 11.247 ( 5.779 -0.626 0.000) 5.813 13.347 ( 0.996 -1.505 0.000) 1.804 13.679 ( 19.045 -0.097 0.000) 19.045 13.916 ( 14.312 0.532 0.000) 14.322 14.083 ( -19.482 1.456 0.000) 19.536 14.426 ( -15.152 -4.032 0.000) 15.679 16.267 ( -18.947 0.268 0.000) 18.948 17.130 ( -18.409 10.201 0.000) 21.047 24.601 ( -1.158 -0.181 0.000) 1.173 29.744 ( 10.681 -0.024 0.000) 10.681 32.729 ( 15.559 0.594 0.000) 15.571 37.727 ( -5.712 -0.042 0.000) 5.712 79.478 ( 0.051 -0.012 0.000) 0.052 86.050 ( -13.148 -4.315 0.000) 13.838 ======================= Grid point 22 (14/511) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.219 ( 27.603 5.307 0.000) 28.108 4.451 ( 9.722 1.345 0.000) 9.814 5.227 ( 14.231 2.343 0.000) 14.422 6.188 ( -25.288 5.246 0.000) 25.827 6.738 ( -16.354 -2.399 0.000) 16.529 8.778 ( 28.009 1.134 0.000) 28.032 9.012 ( 20.499 -7.244 0.000) 21.741 9.101 ( 5.294 -3.200 0.000) 6.186 10.294 ( 2.230 1.245 0.000) 2.554 10.669 ( -6.782 1.484 0.000) 6.943 11.419 ( 11.739 -2.450 0.000) 11.992 13.283 ( -10.526 -1.302 0.000) 10.606 13.633 ( -17.766 2.821 0.000) 17.988 14.058 ( 16.025 -0.547 0.000) 16.034 14.155 ( 2.490 1.710 0.000) 3.021 14.447 ( 21.169 -3.753 0.000) 21.499 15.874 ( -21.469 0.342 0.000) 21.472 16.690 ( -22.321 7.984 0.000) 23.707 24.583 ( -0.801 -0.197 0.000) 0.825 29.927 ( 8.051 0.014 0.000) 8.051 32.995 ( 11.822 0.182 0.000) 11.824 37.630 ( -4.260 0.032 0.000) 4.260 79.480 ( 0.089 0.002 0.000) 0.089 85.837 ( -10.106 -1.437 0.000) 10.208 ======================= Grid point 23 (15/511) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.499 ( -0.780 2.169 0.000) 2.305 4.656 ( 20.597 10.769 0.000) 23.243 5.565 ( 6.199 -1.784 0.000) 6.451 5.696 ( -9.394 -1.857 0.000) 9.575 6.407 ( -18.945 -1.823 0.000) 19.033 8.991 ( 0.619 2.132 0.000) 2.220 9.194 ( 9.086 -1.133 0.000) 9.156 9.570 ( 20.970 -5.330 0.000) 21.637 10.328 ( 2.068 1.194 0.000) 2.388 10.518 ( -7.482 0.663 0.000) 7.512 11.740 ( 19.943 -4.479 0.000) 20.439 12.897 ( -25.891 1.771 0.000) 25.951 13.431 ( -3.986 3.389 0.000) 5.232 14.068 ( -2.140 -2.714 0.000) 3.457 14.521 ( 23.212 0.017 0.000) 23.212 14.951 ( 26.870 -0.358 0.000) 26.872 15.440 ( -23.138 0.381 0.000) 23.141 16.199 ( -24.776 4.459 0.000) 25.174 24.573 ( -0.366 -0.132 0.000) 0.389 30.047 ( 4.303 0.020 0.000) 4.303 33.172 ( 6.389 0.008 0.000) 6.389 37.566 ( -2.271 0.031 0.000) 2.271 79.481 ( 0.068 0.002 0.000) 0.068 85.686 ( -5.678 -0.107 0.000) 5.679 ======================= Grid point 24 (16/511) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.465 ( -1.445 0.017 0.000) 1.445 4.767 ( -9.096 2.860 0.000) 9.535 5.418 ( 4.933 -3.190 0.000) 5.874 6.023 ( -18.541 -0.992 0.000) 18.568 6.052 ( 19.235 0.982 0.000) 19.260 8.974 ( -1.108 -0.077 0.000) 1.111 9.299 ( 0.975 0.147 0.000) 0.986 9.817 ( 3.255 1.287 0.000) 3.500 10.347 ( -1.659 -0.024 0.000) 1.659 10.424 ( 0.145 -0.730 0.000) 0.744 12.187 ( 14.411 -1.556 0.000) 14.495 12.406 ( -13.243 1.138 0.000) 13.292 13.376 ( -0.926 1.346 0.000) 1.633 14.062 ( -0.054 -2.451 0.000) 2.452 14.974 ( 7.680 -0.064 0.000) 7.680 14.985 ( -7.806 0.098 0.000) 7.807 15.351 ( 4.051 3.675 0.000) 5.470 15.796 ( -5.596 -2.364 0.000) 6.074 24.570 ( 0.086 0.004 0.000) 0.086 30.089 ( -0.018 -0.004 0.000) 0.018 33.235 ( 0.017 0.003 0.000) 0.017 37.544 ( -0.021 -0.001 0.000) 0.021 79.482 ( 0.001 0.000 0.000) 0.001 85.628 ( -0.091 -0.008 0.000) 0.091 ======================= Grid point 25 (17/511) ======================= q-point: (-0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.449 ( -4.311 -3.612 0.000) 5.624 4.458 ( -17.127 -7.482 0.000) 18.690 5.576 ( -17.835 -0.191 0.000) 17.836 5.717 ( 13.259 -0.212 0.000) 13.260 6.447 ( 19.857 2.049 0.000) 19.963 8.950 ( -2.358 -1.824 0.000) 2.981 9.225 ( -7.816 1.839 0.000) 8.030 9.694 ( -13.338 7.027 0.000) 15.075 10.295 ( -2.912 -2.130 0.000) 3.608 10.501 ( 5.713 -1.037 0.000) 5.806 11.842 ( -21.127 5.422 0.000) 21.812 12.846 ( 29.883 -3.320 0.000) 30.067 13.385 ( 2.323 -0.986 0.000) 2.524 14.080 ( 0.575 -1.831 0.000) 1.919 14.522 ( -23.429 0.112 0.000) 23.430 14.996 ( -24.703 4.276 0.000) 25.070 15.434 ( 23.096 -0.083 0.000) 23.096 16.086 ( 19.854 -6.790 0.000) 20.983 24.576 ( 0.512 0.165 0.000) 0.538 30.047 ( -4.320 -0.031 0.000) 4.320 33.172 ( -6.464 0.000 0.000) 6.464 37.565 ( 2.236 -0.042 0.000) 2.236 79.481 ( -0.065 0.004 0.000) 0.066 85.688 ( 6.327 0.081 0.000) 6.327 ======================= Grid point 26 (18/511) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.089 ( -22.047 -7.167 0.000) 23.182 4.416 ( -6.047 -2.049 0.000) 6.385 5.171 ( -19.212 -2.945 0.000) 19.437 6.057 ( 14.867 -7.322 0.000) 16.572 6.794 ( 17.307 3.008 0.000) 17.566 8.785 ( -20.051 1.383 0.000) 20.098 9.063 ( -4.785 0.515 0.000) 4.813 9.278 ( -22.422 11.655 0.000) 25.270 10.258 ( -2.254 -2.336 0.000) 3.246 10.629 ( 6.137 -2.369 0.000) 6.579 11.481 ( -13.790 3.501 0.000) 14.228 13.321 ( 12.095 2.619 0.000) 12.375 13.569 ( 21.242 -3.403 0.000) 21.513 14.063 ( -12.223 -0.929 0.000) 12.258 14.097 ( -13.976 -3.145 0.000) 14.326 14.558 ( -13.667 7.020 0.000) 15.364 15.866 ( 21.413 -0.341 0.000) 21.415 16.484 ( 16.168 -12.062 0.000) 20.172 24.588 ( 0.882 0.288 0.000) 0.928 29.926 ( -8.022 -0.024 0.000) 8.022 32.990 ( -12.221 -0.226 0.000) 12.223 37.629 ( 4.268 -0.068 0.000) 4.269 79.480 ( -0.074 0.014 0.000) 0.075 85.871 ( 13.110 1.860 0.000) 13.241 ======================= Grid point 27 (19/511) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( -25.103 -0.091 0.000) 25.104 4.126 ( -23.909 4.152 0.000) 24.267 4.979 ( -3.617 -9.831 0.000) 10.475 6.253 ( -4.629 -15.277 0.000) 15.963 7.084 ( 14.478 3.976 0.000) 15.014 8.227 ( -30.216 6.336 0.000) 30.873 8.696 ( -27.108 11.322 0.000) 29.377 9.082 ( 0.452 -1.340 0.000) 1.415 10.225 ( -2.259 -1.461 0.000) 2.690 10.735 ( 2.839 -2.526 0.000) 3.800 11.269 ( -7.187 1.615 0.000) 7.367 13.397 ( -0.297 3.537 0.000) 3.550 13.682 ( -19.146 0.168 0.000) 19.147 13.884 ( -13.712 -3.038 0.000) 14.045 14.055 ( 23.337 -1.000 0.000) 23.358 14.549 ( 14.603 8.224 0.000) 16.759 16.259 ( 18.908 -0.505 0.000) 18.915 16.830 ( 11.992 -18.999 0.000) 22.467 24.607 ( 1.165 0.328 0.000) 1.211 29.744 ( -10.602 0.040 0.000) 10.602 32.713 ( -16.497 -0.928 0.000) 16.523 37.728 ( 5.860 -0.007 0.000) 5.860 79.479 ( -0.013 0.041 0.000) 0.043 86.169 ( 19.747 7.009 0.000) 20.954 ======================= Grid point 28 (20/511) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( -28.727 8.019 0.000) 29.825 3.525 ( -33.679 7.983 0.000) 34.612 5.048 ( 3.141 -12.783 0.000) 13.163 5.845 ( -45.212 -9.317 0.000) 46.162 7.307 ( 10.433 5.567 0.000) 11.825 7.691 ( -27.913 -0.348 0.000) 27.916 8.180 ( -14.719 5.480 0.000) 15.706 9.112 ( 1.721 -0.852 0.000) 1.920 10.181 ( -2.731 0.000 0.000) 2.731 10.737 ( -4.064 -1.328 0.000) 4.275 11.173 ( -2.679 0.312 0.000) 2.697 13.267 ( -10.587 1.682 0.000) 10.720 13.343 ( -15.808 0.089 0.000) 15.808 13.739 ( -1.135 2.904 0.000) 3.118 14.453 ( 17.050 -3.734 0.000) 17.454 14.902 ( 23.823 9.477 0.000) 25.638 16.597 ( 15.806 -0.530 0.000) 15.815 17.143 ( 9.698 -24.115 0.000) 25.992 24.629 ( 1.319 0.279 0.000) 1.348 29.526 ( -11.654 0.155 0.000) 11.655 32.377 ( -18.751 -2.382 0.000) 18.901 37.851 ( 6.824 0.292 0.000) 6.830 79.479 ( 0.082 0.095 0.000) 0.126 86.554 ( 25.935 16.955 0.000) 30.985 ======================= Grid point 29 (21/511) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -31.177 15.698 0.000) 34.906 2.780 ( -38.173 11.069 0.000) 39.745 4.730 ( -68.523 0.177 0.000) 68.523 5.188 ( 4.314 -13.151 0.000) 13.841 6.948 ( -41.413 1.582 0.000) 41.444 7.493 ( 7.571 4.841 0.000) 8.986 8.146 ( 4.681 -8.918 0.000) 10.072 9.152 ( 2.188 0.068 0.000) 2.189 10.120 ( -3.232 1.335 0.000) 3.497 10.588 ( -11.360 -0.189 0.000) 11.362 11.147 ( -0.310 -0.177 0.000) 0.357 13.053 ( -9.884 0.218 0.000) 9.887 13.074 ( -11.977 0.046 0.000) 11.977 13.755 ( 3.694 5.033 0.000) 6.243 14.741 ( 8.791 -8.943 0.000) 12.540 15.320 ( 23.068 6.972 0.000) 24.099 16.871 ( 12.236 -0.406 0.000) 12.243 17.444 ( 9.473 -22.815 0.000) 24.704 24.654 ( 1.292 0.175 0.000) 1.304 29.304 ( -10.951 0.279 0.000) 10.955 32.028 ( -18.937 -5.012 0.000) 19.589 37.983 ( 7.098 1.102 0.000) 7.183 79.481 ( 0.165 0.166 0.000) 0.234 86.995 ( 32.532 33.540 0.000) 46.725 ======================= Grid point 30 (22/511) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -31.143 23.782 0.000) 39.185 1.955 ( -40.290 15.080 0.000) 43.019 3.293 ( -77.542 5.146 0.000) 77.712 5.330 ( 3.680 -12.108 0.000) 12.655 6.145 ( -39.096 -0.276 0.000) 39.097 7.598 ( 5.927 5.961 0.000) 8.406 8.314 ( 5.530 -13.534 0.000) 14.620 9.196 ( 2.374 0.200 0.000) 2.383 10.050 ( -2.825 2.273 0.000) 3.626 10.332 ( -14.129 0.127 0.000) 14.130 11.150 ( 0.330 -0.088 0.000) 0.342 12.881 ( -7.977 0.012 0.000) 7.977 12.899 ( -6.169 -0.255 0.000) 6.175 13.804 ( 2.776 2.821 0.000) 3.957 14.846 ( -7.575 -24.459 0.000) 25.605 15.700 ( 17.853 2.166 0.000) 17.984 17.072 ( 8.320 -0.282 0.000) 8.324 17.732 ( 11.432 -12.592 0.000) 17.008 24.676 ( 1.048 0.070 0.000) 1.050 29.112 ( -8.515 0.356 0.000) 8.523 31.705 ( -18.251 -9.953 0.000) 20.789 38.110 ( 7.077 2.982 0.000) 7.680 79.483 ( 0.204 0.231 0.000) 0.308 87.499 ( 45.728 62.720 0.000) 77.620 ======================= Grid point 31 (23/511) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -27.440 34.018 0.000) 43.705 1.095 ( -38.242 22.747 0.000) 44.496 1.727 ( -79.303 11.115 0.000) 80.078 5.441 ( 1.758 -9.728 0.000) 9.886 5.522 ( -23.680 -1.779 0.000) 23.747 7.667 ( 4.861 6.926 0.000) 8.461 8.465 ( 3.151 -12.595 0.000) 12.983 9.235 ( 1.010 -1.113 0.000) 1.503 10.001 ( -0.233 3.553 0.000) 3.561 10.086 ( -10.093 0.148 0.000) 10.094 11.156 ( 0.181 -0.043 0.000) 0.186 12.765 ( -3.991 -0.034 0.000) 3.991 12.814 ( -2.905 -0.444 0.000) 2.938 13.786 ( -11.500 -13.365 0.000) 17.632 14.588 ( -45.010 -56.065 0.000) 71.897 15.960 ( 8.597 -2.004 0.000) 8.828 17.194 ( 4.200 -0.204 0.000) 4.205 18.027 ( 18.494 5.644 0.000) 19.336 24.692 ( 0.594 0.007 0.000) 0.594 28.981 ( -4.665 0.345 0.000) 4.677 31.399 ( -23.293 -20.610 0.000) 31.102 38.236 ( 9.362 7.294 0.000) 11.868 79.486 ( 0.186 0.298 0.000) 0.351 88.345 ( 104.938 128.043 0.000) 165.551 ======================= Grid point 32 (24/511) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( -0.000 27.872 0.000) 27.872 0.418 ( -0.000 42.376 0.000) 42.376 0.561 ( -0.000 56.803 0.000) 56.803 5.287 ( 0.000 -1.743 0.000) 1.743 5.508 ( 0.000 -6.455 0.000) 6.455 7.762 ( -0.000 2.270 0.000) 2.270 8.551 ( 0.000 -8.935 0.000) 8.935 9.202 ( 0.000 -0.104 0.000) 0.104 9.979 ( 0.000 -0.082 0.000) 0.082 10.066 ( -0.000 0.302 0.000) 0.302 11.155 ( 0.000 -0.474 0.000) 0.474 12.558 ( -0.000 0.282 0.000) 0.282 12.729 ( -0.000 0.494 0.000) 0.494 12.790 ( -0.000 0.040 0.000) 0.040 14.054 ( -0.000 4.976 0.000) 4.976 16.049 ( 0.000 -2.472 0.000) 2.472 17.235 ( 0.000 -0.130 0.000) 0.130 18.372 ( -0.000 0.346 0.000) 0.346 24.698 ( 0.000 -0.007 0.000) 0.007 28.934 ( -0.000 0.249 0.000) 0.249 30.921 ( -0.000 0.044 0.000) 0.044 38.433 ( 0.000 -1.220 0.000) 1.220 79.487 ( -0.000 0.295 0.000) 0.295 91.124 ( 0.000 -0.317 0.000) 0.317 ======================= Grid point 35 (25/511) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 511 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 36.176 -0.000 0.000) 36.176 3.404 ( 37.238 -0.000 0.000) 37.238 5.254 ( -5.448 0.000 0.000) 5.448 5.984 ( 55.292 -0.000 0.000) 55.292 7.202 ( -8.371 0.000 0.000) 8.371 7.778 ( 36.763 -0.000 0.000) 36.763 8.023 ( -10.139 0.000 0.000) 10.139 9.122 ( -0.987 0.000 0.000) 0.987 10.186 ( 4.005 -0.000 0.000) 4.005 10.749 ( 4.858 -0.000 0.000) 4.858 11.173 ( 2.105 -0.000 0.000) 2.105 13.238 ( 8.792 -0.000 0.000) 8.792 13.341 ( 15.766 -0.000 0.000) 15.766 13.694 ( 5.217 -0.000 0.000) 5.217 14.509 ( -21.399 0.000 0.000) 21.399 14.763 ( -21.466 0.000 0.000) 21.466 16.605 ( -15.800 0.000 0.000) 15.800 17.542 ( -14.645 0.000 0.000) 14.645 24.625 ( -1.370 0.000 0.000) 1.370 29.524 ( 11.776 -0.000 0.000) 11.776 32.421 ( 16.716 -0.000 0.000) 16.716 37.843 ( -6.275 0.000 0.000) 6.275 79.478 ( -0.023 0.000 0.000) 0.023 86.250 ( -12.697 0.000 0.000) 12.697 ======================= Grid point 36 (26/511) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.659 ( 33.221 0.046 0.000) 33.221 4.057 ( 29.138 -0.582 0.000) 29.143 5.168 ( -1.824 1.822 0.000) 2.578 6.590 ( 1.869 3.819 0.000) 4.252 6.992 ( -12.965 -1.135 0.000) 13.015 8.114 ( 26.001 -0.911 0.000) 26.017 8.435 ( 28.887 -3.077 0.000) 29.050 9.105 ( -0.882 0.203 0.000) 0.905 10.255 ( 3.130 0.293 0.000) 3.144 10.773 ( -2.107 0.250 0.000) 2.122 11.243 ( 5.378 -0.189 0.000) 5.382 13.337 ( 1.186 -0.500 0.000) 1.287 13.678 ( 19.021 -0.034 0.000) 19.021 13.919 ( 13.402 0.107 0.000) 13.403 14.094 ( -16.937 0.601 0.000) 16.947 14.399 ( -16.026 -1.403 0.000) 16.087 16.268 ( -18.941 0.093 0.000) 18.941 17.198 ( -19.869 3.552 0.000) 20.184 24.600 ( -1.157 -0.063 0.000) 1.158 29.743 ( 10.700 -0.008 0.000) 10.700 32.733 ( 15.317 0.215 0.000) 15.319 37.727 ( -5.663 -0.019 0.000) 5.663 79.478 ( 0.059 -0.003 0.000) 0.059 86.021 ( -11.491 -1.545 0.000) 11.595 ======================= Grid point 37 (27/511) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.260 ( 29.594 2.917 0.000) 29.737 4.461 ( 10.859 0.709 0.000) 10.882 5.245 ( 12.643 1.316 0.000) 12.712 6.228 ( -29.217 2.864 0.000) 29.357 6.719 ( -15.947 -1.363 0.000) 16.005 8.799 ( 32.770 3.002 0.000) 32.908 8.934 ( 23.875 -7.517 0.000) 25.031 9.086 ( -0.422 -0.512 0.000) 0.663 10.303 ( 2.181 0.635 0.000) 2.271 10.680 ( -6.847 0.771 0.000) 6.890 11.400 ( 11.058 -1.319 0.000) 11.137 13.273 ( -10.223 -0.643 0.000) 10.243 13.656 ( -16.221 1.666 0.000) 16.307 14.054 ( 14.972 -0.389 0.000) 14.977 14.166 ( -0.969 0.509 0.000) 1.095 14.421 ( 25.211 -1.668 0.000) 25.266 15.877 ( -21.466 0.193 0.000) 21.467 16.751 ( -24.185 4.261 0.000) 24.557 24.582 ( -0.776 -0.105 0.000) 0.783 29.927 ( 8.059 0.007 0.000) 8.059 32.996 ( 11.692 0.103 0.000) 11.692 37.630 ( -4.251 0.014 0.000) 4.251 79.480 ( 0.092 0.003 0.000) 0.092 85.826 ( -9.142 -0.798 0.000) 9.177 ======================= Grid point 38 (28/511) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.517 ( -1.419 1.463 0.000) 2.038 4.755 ( 23.246 8.826 0.000) 24.865 5.541 ( -6.512 -2.972 0.000) 7.158 5.680 ( -2.245 -1.239 0.000) 2.564 6.392 ( -18.565 -1.235 0.000) 18.606 9.010 ( -0.825 1.683 0.000) 1.874 9.186 ( 9.536 -0.557 0.000) 9.552 9.525 ( 24.846 -3.703 0.000) 25.120 10.338 ( 1.906 0.755 0.000) 2.050 10.523 ( -8.371 0.391 0.000) 8.380 11.703 ( 19.572 -2.985 0.000) 19.799 12.910 ( -24.478 0.964 0.000) 24.497 13.465 ( -4.511 3.096 0.000) 5.471 14.038 ( -2.803 -3.004 0.000) 4.109 14.521 ( 23.115 -0.033 0.000) 23.115 14.953 ( 27.953 0.495 0.000) 27.957 15.443 ( -23.117 0.287 0.000) 23.119 16.235 ( -26.938 2.767 0.000) 27.080 24.572 ( -0.312 -0.086 0.000) 0.324 30.047 ( 4.296 0.012 0.000) 4.296 33.172 ( 6.359 0.007 0.000) 6.359 37.566 ( -2.282 0.020 0.000) 2.282 79.481 ( 0.066 0.003 0.000) 0.066 85.685 ( -5.424 -0.081 0.000) 5.424 ======================= Grid point 39 (29/511) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.465 ( -2.671 0.025 0.000) 2.671 4.805 ( -18.633 4.629 0.000) 19.199 5.376 ( 10.955 -5.093 0.000) 12.081 6.014 ( -20.387 -0.833 0.000) 20.404 6.061 ( 21.674 0.820 0.000) 21.690 8.973 ( -2.051 -0.113 0.000) 2.055 9.301 ( 1.761 0.205 0.000) 1.773 9.833 ( 6.248 1.867 0.000) 6.521 10.348 ( -3.521 0.232 0.000) 3.529 10.413 ( 0.519 -1.344 0.000) 1.441 12.169 ( 23.320 -1.950 0.000) 23.401 12.419 ( -21.142 1.361 0.000) 21.186 13.393 ( -1.789 2.039 0.000) 2.713 14.031 ( -0.034 -3.515 0.000) 3.515 14.973 ( 15.548 -0.078 0.000) 15.548 14.986 ( -15.871 0.117 0.000) 15.872 15.400 ( 9.512 5.949 0.000) 11.219 15.763 ( -12.283 -4.173 0.000) 12.972 24.570 ( 0.159 0.006 0.000) 0.160 30.089 ( -0.033 -0.006 0.000) 0.033 33.235 ( 0.031 0.004 0.000) 0.031 37.544 ( -0.039 -0.001 0.000) 0.039 79.482 ( 0.001 0.000 0.000) 0.001 85.628 ( -0.168 -0.012 0.000) 0.169 ======================= Grid point 40 (30/511) ======================= q-point: (-0.56 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.383 ( -21.817 -6.206 0.000) 22.683 4.428 ( -2.007 -2.103 0.000) 2.907 5.573 ( -19.178 -0.383 0.000) 19.182 5.709 ( 12.634 -1.216 0.000) 12.693 6.466 ( 20.241 1.690 0.000) 20.311 8.934 ( -2.696 -1.429 0.000) 3.051 9.243 ( -7.211 1.668 0.000) 7.402 9.764 ( -10.511 6.900 0.000) 12.574 10.273 ( -3.508 -2.402 0.000) 4.252 10.490 ( 5.144 -1.112 0.000) 5.263 11.893 ( -21.875 4.723 0.000) 22.379 12.812 ( 31.837 -3.361 0.000) 32.014 13.382 ( 1.570 0.299 0.000) 1.599 14.053 ( 0.022 -3.417 0.000) 3.417 14.523 ( -23.468 0.248 0.000) 23.469 15.044 ( -24.194 5.172 0.000) 24.740 15.435 ( 22.783 0.351 0.000) 22.786 16.018 ( 18.208 -6.838 0.000) 19.450 24.577 ( 0.583 0.144 0.000) 0.600 30.046 ( -4.328 -0.029 0.000) 4.328 33.172 ( -6.497 0.004 0.000) 6.497 37.565 ( 2.216 -0.038 0.000) 2.216 79.481 ( -0.060 0.007 0.000) 0.061 85.688 ( 6.616 0.050 0.000) 6.616 ======================= Grid point 41 (31/511) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.022 ( -19.559 -6.470 0.000) 20.601 4.396 ( -4.112 -1.963 0.000) 4.557 5.144 ( -21.777 -2.556 0.000) 21.926 5.987 ( 10.397 -6.747 0.000) 12.395 6.822 ( 17.713 2.642 0.000) 17.909 8.800 ( -16.185 1.448 0.000) 16.250 9.068 ( -6.106 0.501 0.000) 6.126 9.391 ( -22.213 11.040 0.000) 24.805 10.234 ( -2.081 -2.652 0.000) 3.371 10.606 ( 5.554 -2.370 0.000) 6.038 11.514 ( -14.843 3.246 0.000) 15.194 13.350 ( 13.782 3.128 0.000) 14.132 13.536 ( 21.939 -3.174 0.000) 22.167 14.033 ( -5.852 -4.522 0.000) 7.396 14.084 ( -21.660 -0.095 0.000) 21.660 14.629 ( -11.814 7.150 0.000) 13.809 15.864 ( 21.325 -0.142 0.000) 21.325 16.365 ( 12.759 -11.804 0.000) 17.382 24.591 ( 0.926 0.271 0.000) 0.965 29.926 ( -8.006 -0.024 0.000) 8.006 32.988 ( -12.420 -0.194 0.000) 12.422 37.628 ( 4.261 -0.074 0.000) 4.261 79.480 ( -0.063 0.022 0.000) 0.067 85.889 ( 14.648 1.634 0.000) 14.739 ======================= Grid point 42 (32/511) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.655 ( -20.802 0.013 0.000) 20.802 4.173 ( -20.361 5.312 0.000) 21.043 4.877 ( -7.160 -10.774 0.000) 12.936 6.105 ( -6.426 -14.430 0.000) 15.796 7.122 ( 14.959 3.675 0.000) 15.404 8.293 ( -29.789 6.814 0.000) 30.558 8.803 ( -28.094 10.259 0.000) 29.908 9.068 ( -0.400 -1.507 0.000) 1.559 10.211 ( -1.475 -1.410 0.000) 2.041 10.707 ( 2.873 -3.095 0.000) 4.223 11.286 ( -7.840 1.819 0.000) 8.049 13.437 ( -0.024 4.509 0.000) 4.509 13.684 ( -19.199 0.155 0.000) 19.200 13.847 ( -10.121 -4.544 0.000) 11.095 14.048 ( 21.570 -0.396 0.000) 21.574 14.637 ( 16.008 9.523 0.000) 18.626 16.253 ( 18.742 -0.574 0.000) 18.751 16.636 ( 7.730 -20.034 0.000) 21.473 24.610 ( 1.169 0.333 0.000) 1.215 29.745 ( -10.553 0.039 0.000) 10.553 32.704 ( -17.004 -0.861 0.000) 17.025 37.727 ( 5.908 -0.053 0.000) 5.908 79.479 ( 0.013 0.053 0.000) 0.054 86.237 ( 23.450 6.656 0.000) 24.376 ======================= Grid point 43 (33/511) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( -23.910 9.260 0.000) 25.640 3.615 ( -31.353 10.221 0.000) 32.977 4.910 ( 1.664 -15.046 0.000) 15.137 5.742 ( -40.075 -11.433 0.000) 41.674 7.361 ( 11.715 5.156 0.000) 12.800 7.707 ( -29.584 3.528 0.000) 29.794 8.223 ( -22.461 3.299 0.000) 22.702 9.102 ( 2.158 -1.276 0.000) 2.507 10.184 ( -1.754 0.465 0.000) 1.815 10.720 ( -3.529 -2.255 0.000) 4.188 11.178 ( -3.075 0.765 0.000) 3.169 13.284 ( -11.870 1.755 0.000) 11.999 13.344 ( -15.832 0.095 0.000) 15.833 13.771 ( 1.700 3.616 0.000) 3.995 14.412 ( 15.098 -4.575 0.000) 15.776 15.010 ( 24.491 12.537 0.000) 27.513 16.590 ( 15.670 -1.068 0.000) 15.706 16.889 ( 7.379 -26.946 0.000) 27.939 24.632 ( 1.286 0.305 0.000) 1.321 29.528 ( -11.578 0.166 0.000) 11.580 32.354 ( -19.736 -2.305 0.000) 19.871 37.853 ( 7.008 0.148 0.000) 7.010 79.480 ( 0.131 0.123 0.000) 0.180 86.723 ( 32.713 16.916 0.000) 36.828 ======================= Grid point 44 (34/511) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -25.869 18.927 0.000) 32.054 2.905 ( -35.308 14.247 0.000) 38.075 4.725 ( -64.809 -1.343 0.000) 64.823 5.043 ( 3.390 -16.071 0.000) 16.425 6.970 ( -42.271 2.830 0.000) 42.366 7.544 ( 8.786 5.437 0.000) 10.332 8.045 ( -1.276 -11.533 0.000) 11.603 9.151 ( 2.500 -0.202 0.000) 2.508 10.136 ( -2.456 2.018 0.000) 3.179 10.584 ( -11.022 -0.763 0.000) 11.049 11.146 ( -0.392 0.008 0.000) 0.392 13.055 ( -10.290 0.227 0.000) 10.293 13.074 ( -11.997 0.052 0.000) 11.997 13.810 ( 3.755 5.951 0.000) 7.037 14.653 ( 4.910 -8.711 0.000) 9.999 15.389 ( 19.546 6.960 0.000) 20.748 16.866 ( 12.288 -0.729 0.000) 12.310 17.209 ( 12.856 -24.316 0.000) 27.505 24.656 ( 1.241 0.209 0.000) 1.259 29.307 ( -10.870 0.326 0.000) 10.875 31.978 ( -20.645 -4.861 0.000) 21.209 37.992 ( 7.534 0.721 0.000) 7.569 79.483 ( 0.240 0.244 0.000) 0.342 87.332 ( 43.584 33.930 0.000) 55.234 ======================= Grid point 45 (35/511) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -24.865 28.908 0.000) 38.131 2.129 ( -35.860 19.955 0.000) 41.038 3.351 ( -74.257 6.333 0.000) 74.527 5.191 ( 3.330 -15.997 0.000) 16.340 6.143 ( -40.270 -0.051 0.000) 40.270 7.662 ( 6.535 6.676 0.000) 9.342 8.155 ( 3.077 -18.546 0.000) 18.799 9.197 ( 2.136 0.097 0.000) 2.138 10.076 ( -2.270 2.891 0.000) 3.676 10.332 ( -14.084 -0.047 0.000) 14.084 11.149 ( 0.330 -0.189 0.000) 0.380 12.881 ( -8.010 0.001 0.000) 8.010 12.896 ( -6.317 -0.261 0.000) 6.322 13.823 ( -2.113 0.484 0.000) 2.168 14.629 ( -15.151 -18.255 0.000) 23.724 15.701 ( 13.845 -1.853 0.000) 13.968 17.068 ( 8.345 -0.415 0.000) 8.355 17.617 ( 20.140 -10.397 0.000) 22.665 24.677 ( 1.004 0.094 0.000) 1.008 29.116 ( -8.454 0.459 0.000) 8.466 31.611 ( -20.942 -8.794 0.000) 22.713 38.134 ( 7.857 1.832 0.000) 8.068 79.487 ( 0.308 0.402 0.000) 0.507 88.110 ( 62.964 58.934 0.000) 86.242 ======================= Grid point 46 (36/511) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -29.887 29.592 0.000) 42.058 1.404 ( -27.292 33.521 0.000) 43.226 1.883 ( -65.355 21.339 0.000) 68.751 5.321 ( 2.240 -14.450 0.000) 14.623 5.499 ( -24.983 -2.731 0.000) 25.132 7.738 ( 5.260 7.186 0.000) 8.905 8.306 ( 2.378 -19.452 0.000) 19.597 9.225 ( 0.037 -0.941 0.000) 0.942 10.035 ( -0.208 2.998 0.000) 3.005 10.089 ( -9.568 0.421 0.000) 9.577 11.154 ( -0.058 -0.378 0.000) 0.383 12.764 ( -4.180 -0.229 0.000) 4.187 12.809 ( -3.066 -0.526 0.000) 3.111 13.548 ( -44.634 -30.079 0.000) 53.823 14.299 ( -19.125 -6.937 0.000) 20.344 15.923 ( 6.883 -5.275 0.000) 8.672 17.191 ( 4.206 -0.323 0.000) 4.218 18.069 ( 24.030 3.131 0.000) 24.233 24.692 ( 0.573 0.013 0.000) 0.573 28.985 ( -4.639 0.509 0.000) 4.667 31.240 ( -23.357 -11.735 0.000) 26.140 38.283 ( 8.914 2.528 0.000) 9.266 79.490 ( 0.302 0.556 0.000) 0.632 89.374 ( 111.074 79.824 0.000) 136.782 ======================= Grid point 47 (37/511) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 511 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( -0.000 26.600 0.000) 26.600 0.831 ( -0.000 41.493 0.000) 41.493 1.115 ( -0.000 55.606 0.000) 55.606 5.262 ( 0.000 -3.281 0.000) 3.281 5.416 ( 0.000 -12.160 0.000) 12.160 7.793 ( -0.000 3.976 0.000) 3.976 8.422 ( 0.000 -16.925 0.000) 16.925 9.201 ( 0.000 -0.192 0.000) 0.192 9.978 ( 0.000 -0.128 0.000) 0.128 10.070 ( -0.000 0.532 0.000) 0.532 11.149 ( 0.000 -0.742 0.000) 0.742 12.561 ( -0.000 0.342 0.000) 0.342 12.737 ( -0.000 0.970 0.000) 0.970 12.791 ( -0.000 0.073 0.000) 0.073 14.125 ( -0.000 9.286 0.000) 9.286 16.013 ( 0.000 -4.786 0.000) 4.786 17.233 ( 0.000 -0.257 0.000) 0.257 18.377 ( -0.000 0.637 0.000) 0.637 24.698 ( 0.000 -0.011 0.000) 0.011 28.937 ( -0.000 0.461 0.000) 0.461 30.922 ( -0.000 0.082 0.000) 0.082 38.415 ( 0.000 -2.257 0.000) 2.257 79.491 ( -0.000 0.546 0.000) 0.546 91.119 ( 0.000 -0.586 0.000) 0.586 ======================= Grid point 52 (38/511) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.275 ( 30.329 -0.000 0.000) 30.329 4.464 ( 11.257 -0.000 0.000) 11.257 5.251 ( 12.079 -0.000 0.000) 12.079 6.242 ( -30.703 0.000 0.000) 30.703 6.712 ( -15.779 0.000 0.000) 15.779 8.823 ( 39.978 -0.000 0.000) 39.978 8.887 ( 18.328 -0.000 0.000) 18.328 9.084 ( -1.179 0.000 0.000) 1.179 10.306 ( 2.161 -0.000 0.000) 2.161 10.684 ( -6.853 0.000 0.000) 6.853 11.394 ( 10.811 -0.000 0.000) 10.811 13.270 ( -10.129 0.000 0.000) 10.129 13.664 ( -15.610 0.000 0.000) 15.610 14.052 ( 14.421 -0.000 0.000) 14.421 14.168 ( -2.243 0.000 0.000) 2.243 14.413 ( 26.802 -0.000 0.000) 26.802 15.878 ( -21.464 0.000 0.000) 21.464 16.772 ( -24.837 0.000 0.000) 24.837 24.581 ( -0.767 0.000 0.000) 0.767 29.927 ( 8.062 -0.000 0.000) 8.062 32.997 ( 11.645 -0.000 0.000) 11.645 37.630 ( -4.247 0.000 0.000) 4.247 79.480 ( 0.093 -0.000 0.000) 0.093 85.822 ( -8.799 0.000 0.000) 8.799 ======================= Grid point 53 (39/511) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.527 ( -1.764 0.516 0.000) 1.838 4.819 ( 26.300 3.588 0.000) 26.544 5.515 ( -16.276 -1.638 0.000) 16.359 5.673 ( 2.869 -0.361 0.000) 2.891 6.383 ( -18.349 -0.436 0.000) 18.354 9.022 ( -1.954 0.651 0.000) 2.060 9.183 ( 9.712 -0.138 0.000) 9.713 9.499 ( 27.411 -1.362 0.000) 27.445 10.343 ( 1.876 0.266 0.000) 1.895 10.526 ( -8.932 0.123 0.000) 8.933 11.683 ( 19.381 -1.048 0.000) 19.409 12.917 ( -23.741 0.301 0.000) 23.743 13.487 ( -4.735 1.290 0.000) 4.907 14.015 ( -3.196 -1.316 0.000) 3.456 14.521 ( 23.070 -0.023 0.000) 23.070 14.957 ( 28.587 0.301 0.000) 28.589 15.445 ( -23.106 0.106 0.000) 23.107 16.253 ( -28.177 0.936 0.000) 28.192 24.571 ( -0.283 -0.030 0.000) 0.284 30.047 ( 4.292 0.004 0.000) 4.292 33.172 ( 6.342 0.003 0.000) 6.342 37.566 ( -2.287 0.007 0.000) 2.287 79.481 ( 0.065 0.001 0.000) 0.065 85.684 ( -5.282 -0.030 0.000) 5.282 ======================= Grid point 54 (40/511) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.466 ( -3.491 0.018 0.000) 3.491 4.850 ( -28.132 3.931 0.000) 28.405 5.327 ( 18.119 -4.257 0.000) 18.613 6.008 ( -20.653 -0.455 0.000) 20.658 6.067 ( 22.342 0.446 0.000) 22.346 8.972 ( -2.684 -0.083 0.000) 2.686 9.302 ( 2.250 0.143 0.000) 2.255 9.850 ( 8.496 1.355 0.000) 8.603 10.352 ( -5.914 0.586 0.000) 5.943 10.399 ( 1.694 -1.408 0.000) 2.202 12.153 ( 27.456 -1.255 0.000) 27.485 12.430 ( -24.588 0.840 0.000) 24.602 13.412 ( -2.458 1.561 0.000) 2.911 14.000 ( 0.060 -2.549 0.000) 2.550 14.973 ( 21.262 -0.049 0.000) 21.262 14.987 ( -21.759 0.072 0.000) 21.760 15.459 ( 18.000 5.443 0.000) 18.805 15.719 ( -21.552 -4.236 0.000) 21.964 24.570 ( 0.208 0.004 0.000) 0.208 30.089 ( -0.043 -0.004 0.000) 0.043 33.235 ( 0.041 0.003 0.000) 0.041 37.544 ( -0.051 -0.001 0.000) 0.051 79.482 ( 0.001 0.000 0.000) 0.001 85.628 ( -0.220 -0.008 0.000) 0.220 ======================= Grid point 55 (41/511) ======================= q-point: (-0.62 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.334 ( -23.533 -3.691 0.000) 23.821 4.411 ( -2.553 -1.377 0.000) 2.900 5.570 ( -19.563 -0.328 0.000) 19.566 5.696 ( 12.017 -1.292 0.000) 12.086 6.480 ( 20.517 1.104 0.000) 20.547 8.923 ( -2.867 -0.926 0.000) 3.012 9.257 ( -6.734 1.152 0.000) 6.832 9.826 ( -8.559 5.433 0.000) 10.138 10.250 ( -4.123 -2.134 0.000) 4.643 10.480 ( 4.854 -0.944 0.000) 4.945 11.933 ( -22.604 3.253 0.000) 22.836 12.782 ( 33.409 -2.538 0.000) 33.505 13.388 ( 1.021 0.827 0.000) 1.314 14.019 ( -0.236 -3.206 0.000) 3.215 14.526 ( -23.487 0.238 0.000) 23.488 15.092 ( -23.925 4.215 0.000) 24.293 15.441 ( 21.966 0.723 0.000) 21.978 15.956 ( 17.552 -5.452 0.000) 18.379 24.579 ( 0.637 0.098 0.000) 0.644 30.046 ( -4.333 -0.021 0.000) 4.333 33.172 ( -6.521 0.004 0.000) 6.521 37.565 ( 2.199 -0.026 0.000) 2.199 79.481 ( -0.054 0.006 0.000) 0.055 85.689 ( 6.828 0.024 0.000) 6.828 ======================= Grid point 56 (42/511) ======================= q-point: (-0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.965 ( -17.699 -4.860 0.000) 18.354 4.378 ( -2.516 -1.547 0.000) 2.954 5.122 ( -23.873 -1.857 0.000) 23.945 5.928 ( 7.114 -5.161 0.000) 8.789 6.845 ( 18.028 1.947 0.000) 18.133 8.812 ( -12.835 1.018 0.000) 12.875 9.074 ( -7.914 0.585 0.000) 7.936 9.490 ( -21.906 8.863 0.000) 23.631 10.208 ( -1.713 -2.515 0.000) 3.043 10.584 ( 4.962 -1.980 0.000) 5.342 11.543 ( -15.728 2.492 0.000) 15.925 13.382 ( 16.720 3.339 0.000) 17.050 13.507 ( 20.891 -2.847 0.000) 21.084 13.988 ( -5.917 -4.358 0.000) 7.349 14.085 ( -21.872 0.225 0.000) 21.873 14.695 ( -10.738 5.985 0.000) 12.294 15.864 ( 21.229 0.144 0.000) 21.229 16.258 ( 9.769 -9.726 0.000) 13.785 24.593 ( 0.964 0.210 0.000) 0.986 29.926 ( -7.991 -0.020 0.000) 7.991 32.987 ( -12.581 -0.139 0.000) 12.581 37.627 ( 4.248 -0.063 0.000) 4.248 79.480 ( -0.052 0.022 0.000) 0.056 85.903 ( 15.905 1.197 0.000) 15.950 ======================= Grid point 57 (43/511) ======================= q-point: (-0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( -16.617 0.113 0.000) 16.617 4.230 ( -15.692 6.262 0.000) 16.895 4.770 ( -11.772 -10.744 0.000) 15.938 5.975 ( -8.348 -11.781 0.000) 14.439 7.155 ( 15.332 2.946 0.000) 15.612 8.357 ( -28.726 6.142 0.000) 29.375 8.894 ( -28.401 8.080 0.000) 29.528 9.053 ( -2.653 -1.464 0.000) 3.030 10.199 ( -0.431 -1.090 0.000) 1.172 10.676 ( 2.726 -3.085 0.000) 4.117 11.304 ( -8.337 1.652 0.000) 8.499 13.485 ( -0.028 5.370 0.000) 5.370 13.685 ( -19.201 0.076 0.000) 19.201 13.797 ( -6.126 -5.601 0.000) 8.301 14.046 ( 19.114 -0.067 0.000) 19.114 14.732 ( 18.544 9.664 0.000) 20.911 16.247 ( 17.996 -0.790 0.000) 18.013 16.445 ( 3.641 -18.090 0.000) 18.453 24.613 ( 1.172 0.285 0.000) 1.206 29.745 ( -10.508 0.032 0.000) 10.508 32.696 ( -17.431 -0.680 0.000) 17.444 37.727 ( 5.927 -0.079 0.000) 5.927 79.480 ( 0.037 0.054 0.000) 0.066 86.297 ( 26.657 5.376 0.000) 27.193 ======================= Grid point 58 (44/511) ======================= q-point: (-0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.294 ( -18.791 9.300 0.000) 20.966 3.724 ( -28.961 12.001 0.000) 31.349 4.755 ( 0.182 -16.160 0.000) 16.161 5.625 ( -36.077 -11.883 0.000) 37.983 7.406 ( 12.466 4.135 0.000) 13.134 7.757 ( -30.525 6.408 0.000) 31.190 8.244 ( -29.886 0.855 0.000) 29.898 9.087 ( 2.630 -1.568 0.000) 3.062 10.191 ( -0.633 0.999 0.000) 1.183 10.694 ( -3.020 -2.865 0.000) 4.163 11.187 ( -3.461 1.026 0.000) 3.610 13.301 ( -13.253 1.567 0.000) 13.345 13.345 ( -15.855 0.085 0.000) 15.855 13.809 ( 4.866 3.971 0.000) 6.281 14.365 ( 13.173 -4.880 0.000) 14.048 15.147 ( 25.279 15.329 0.000) 29.564 16.552 ( 10.971 -12.959 0.000) 16.980 16.646 ( 9.686 -15.899 0.000) 18.618 24.635 ( 1.252 0.285 0.000) 1.284 29.529 ( -11.504 0.152 0.000) 11.505 32.333 ( -20.559 -1.907 0.000) 20.647 37.854 ( 7.100 0.001 0.000) 7.100 79.481 ( 0.186 0.131 0.000) 0.228 86.879 ( 38.584 14.420 0.000) 41.191 ======================= Grid point 59 (45/511) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( -20.317 19.959 0.000) 28.480 3.056 ( -32.317 16.211 0.000) 36.155 4.701 ( -59.629 -3.795 0.000) 59.750 4.878 ( 1.530 -17.312 0.000) 17.380 7.007 ( -43.307 4.888 0.000) 43.582 7.597 ( 9.515 5.149 0.000) 10.818 7.922 ( -7.728 -13.346 0.000) 15.422 9.148 ( 2.883 -0.493 0.000) 2.925 10.159 ( -1.721 2.584 0.000) 3.104 10.573 ( -10.492 -1.416 0.000) 10.588 11.148 ( -0.639 0.222 0.000) 0.677 13.057 ( -10.679 0.207 0.000) 10.681 13.075 ( -12.022 0.051 0.000) 12.022 13.869 ( 2.942 5.951 0.000) 6.639 14.573 ( 2.986 -7.517 0.000) 8.088 15.456 ( 13.156 6.609 0.000) 14.723 16.851 ( 13.190 -3.216 0.000) 13.576 16.983 ( 18.622 -20.074 0.000) 27.382 24.658 ( 1.186 0.211 0.000) 1.205 29.310 ( -10.784 0.322 0.000) 10.788 31.934 ( -21.882 -3.990 0.000) 22.243 37.997 ( 7.702 0.244 0.000) 7.706 79.485 ( 0.337 0.283 0.000) 0.440 87.645 ( 52.012 28.990 0.000) 59.546 ======================= Grid point 60 (46/511) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -20.834 29.443 0.000) 36.068 2.341 ( -30.278 23.338 0.000) 38.228 3.413 ( -69.635 5.903 0.000) 69.884 5.020 ( 2.926 -18.348 0.000) 18.580 6.146 ( -41.906 0.843 0.000) 41.914 7.726 ( 6.842 6.205 0.000) 9.236 7.955 ( 0.127 -21.581 0.000) 21.581 9.197 ( 1.969 -0.050 0.000) 1.969 10.106 ( -2.052 3.133 0.000) 3.745 10.331 ( -13.911 -0.350 0.000) 13.916 11.146 ( 0.200 -0.282 0.000) 0.346 12.881 ( -8.095 -0.042 0.000) 8.095 12.894 ( -6.391 -0.154 0.000) 6.393 13.804 ( -12.349 -4.555 0.000) 13.163 14.506 ( -11.842 -6.518 0.000) 13.518 15.667 ( 9.883 -4.787 0.000) 10.981 17.063 ( 8.415 -0.523 0.000) 8.431 17.531 ( 28.838 -7.025 0.000) 29.682 24.678 ( 0.952 0.104 0.000) 0.958 29.121 ( -8.382 0.491 0.000) 8.397 31.536 ( -21.963 -6.463 0.000) 22.894 38.146 ( 7.839 0.500 0.000) 7.855 79.491 ( 0.437 0.502 0.000) 0.666 88.627 ( 70.140 45.620 0.000) 83.671 ======================= Grid point 61 (47/511) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -28.981 28.534 0.000) 40.671 1.692 ( -37.187 26.504 0.000) 45.665 2.155 ( -38.019 33.285 0.000) 50.531 5.161 ( 2.246 -17.859 0.000) 18.000 5.470 ( -26.416 -3.073 0.000) 26.594 7.805 ( 4.777 6.445 0.000) 8.022 8.089 ( 1.335 -24.220 0.000) 24.257 9.217 ( -0.410 -0.675 0.000) 0.790 10.058 ( -2.934 1.641 0.000) 3.362 10.095 ( -7.394 0.956 0.000) 7.455 11.149 ( -0.350 -0.627 0.000) 0.718 12.760 ( -4.883 -0.675 0.000) 4.929 12.805 ( -3.153 -0.232 0.000) 3.161 13.291 ( -47.331 -20.868 0.000) 51.727 14.323 ( -4.565 8.170 0.000) 9.359 15.860 ( 6.132 -7.322 0.000) 9.550 17.188 ( 4.214 -0.417 0.000) 4.235 18.093 ( 26.058 1.958 0.000) 26.132 24.692 ( 0.545 0.019 0.000) 0.545 28.991 ( -4.603 0.597 0.000) 4.641 31.156 ( -20.031 -6.080 0.000) 20.934 38.292 ( 7.168 -0.364 0.000) 7.177 79.497 ( 0.396 0.695 0.000) 0.800 89.964 ( 90.506 43.516 0.000) 100.424 ======================= Grid point 62 (48/511) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -0.000 24.434 0.000) 24.434 1.232 ( -0.000 39.896 0.000) 39.896 1.652 ( -0.000 53.314 0.000) 53.314 5.224 ( 0.000 -4.414 0.000) 4.414 5.273 ( 0.000 -16.594 0.000) 16.594 7.837 ( -0.000 4.830 0.000) 4.830 8.224 ( 0.000 -23.126 0.000) 23.126 9.198 ( 0.000 -0.249 0.000) 0.249 9.977 ( 0.000 -0.130 0.000) 0.130 10.076 ( -0.000 0.654 0.000) 0.654 11.142 ( 0.000 -0.756 0.000) 0.756 12.564 ( -0.000 0.194 0.000) 0.194 12.748 ( -0.000 1.330 0.000) 1.330 12.792 ( -0.000 0.096 0.000) 0.096 14.233 ( -0.000 12.429 0.000) 12.429 15.956 ( 0.000 -6.783 0.000) 6.783 17.230 ( 0.000 -0.368 0.000) 0.368 18.384 ( -0.000 0.829 0.000) 0.829 24.698 ( 0.000 -0.012 0.000) 0.012 28.943 ( -0.000 0.602 0.000) 0.602 30.923 ( -0.000 0.107 0.000) 0.107 38.389 ( 0.000 -2.952 0.000) 2.952 79.498 ( -0.000 0.714 0.000) 0.714 91.112 ( 0.000 -0.766 0.000) 0.766 ======================= Grid point 69 (49/511) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 511 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.466 ( -3.780 0.000 0.000) 3.780 4.871 ( -33.023 0.000 0.000) 33.023 5.304 ( 22.194 -0.000 0.000) 22.194 6.005 ( -20.687 0.000 0.000) 20.687 6.069 ( 22.518 -0.000 0.000) 22.518 8.971 ( -2.907 0.000 0.000) 2.907 9.303 ( 2.413 -0.000 0.000) 2.413 9.857 ( 9.355 -0.000 0.000) 9.355 10.356 ( -8.040 0.000 0.000) 8.040 10.391 ( 3.328 -0.000 0.000) 3.328 12.146 ( 28.629 -0.000 0.000) 28.629 12.434 ( -25.514 0.000 0.000) 25.514 13.420 ( -2.722 0.000 0.000) 2.722 13.986 ( 0.119 -0.000 0.000) 0.119 14.972 ( 23.279 -0.000 0.000) 23.279 14.987 ( -23.843 0.000 0.000) 23.843 15.490 ( 25.298 -0.000 0.000) 25.298 15.694 ( -29.121 0.000 0.000) 29.121 24.570 ( 0.225 -0.000 0.000) 0.225 30.089 ( -0.046 0.000 0.000) 0.046 33.235 ( 0.044 -0.000 0.000) 0.044 37.544 ( -0.055 0.000 0.000) 0.055 79.482 ( 0.001 -0.000 0.000) 0.001 85.628 ( -0.238 0.000 0.000) 0.238 ======================= Grid point 70 (50/511) ======================= q-point: (-0.69 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.310 ( -24.558 -1.214 0.000) 24.588 4.402 ( -2.890 -0.480 0.000) 2.930 5.567 ( -19.577 -0.127 0.000) 19.577 5.687 ( 11.651 -0.538 0.000) 11.663 6.487 ( 20.661 0.383 0.000) 20.664 8.917 ( -2.940 -0.323 0.000) 2.957 9.265 ( -6.468 0.410 0.000) 6.481 9.864 ( -7.532 2.152 0.000) 7.834 10.234 ( -4.564 -0.920 0.000) 4.656 10.473 ( 4.762 -0.385 0.000) 4.778 11.955 ( -23.085 1.167 0.000) 23.114 12.765 ( 34.322 -0.950 0.000) 34.335 13.395 ( 0.721 0.424 0.000) 0.837 13.995 ( -0.299 -1.306 0.000) 1.340 14.528 ( -23.500 0.095 0.000) 23.500 15.121 ( -23.655 1.613 0.000) 23.710 15.447 ( 20.956 0.434 0.000) 20.961 15.917 ( 17.604 -2.169 0.000) 17.738 24.579 ( 0.666 0.035 0.000) 0.667 30.046 ( -4.336 -0.008 0.000) 4.336 33.172 ( -6.534 0.002 0.000) 6.534 37.564 ( 2.190 -0.009 0.000) 2.190 79.481 ( -0.051 0.002 0.000) 0.051 85.689 ( 6.940 0.007 0.000) 6.940 ======================= Grid point 71 (51/511) ======================= q-point: (-0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.928 ( -16.575 -2.598 0.000) 16.777 4.366 ( -1.478 -0.853 0.000) 1.707 5.108 ( -25.231 -0.971 0.000) 25.250 5.888 ( 5.146 -2.794 0.000) 5.856 6.860 ( 18.228 1.030 0.000) 18.257 8.820 ( -10.580 0.477 0.000) 10.591 9.079 ( -9.268 0.423 0.000) 9.278 9.560 ( -21.917 5.065 0.000) 22.495 10.187 ( -1.244 -1.625 0.000) 2.047 10.568 ( 4.531 -1.153 0.000) 4.675 11.562 ( -16.324 1.352 0.000) 16.379 13.414 ( 22.338 3.013 0.000) 22.540 13.480 ( 16.464 -2.506 0.000) 16.654 13.953 ( -5.765 -2.645 0.000) 6.343 14.087 ( -21.891 0.145 0.000) 21.892 14.742 ( -10.125 3.472 0.000) 10.704 15.866 ( 21.214 0.282 0.000) 21.216 16.180 ( 7.628 -5.680 0.000) 9.510 24.595 ( 0.988 0.115 0.000) 0.995 29.926 ( -7.981 -0.011 0.000) 7.981 32.986 ( -12.684 -0.072 0.000) 12.684 37.627 ( 4.236 -0.037 0.000) 4.237 79.480 ( -0.043 0.014 0.000) 0.046 85.912 ( 16.723 0.629 0.000) 16.734 ======================= Grid point 72 (52/511) ======================= q-point: (-0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.657 ( -13.249 0.137 0.000) 13.249 4.294 ( -9.375 6.439 0.000) 11.373 4.670 ( -18.015 -9.365 0.000) 20.304 5.878 ( -10.007 -7.706 0.000) 12.630 7.179 ( 15.588 1.899 0.000) 15.703 8.410 ( -27.572 4.302 0.000) 27.906 8.961 ( -24.987 5.345 0.000) 25.553 9.039 ( -8.567 -1.307 0.000) 8.666 10.190 ( 0.649 -0.624 0.000) 0.900 10.649 ( 2.498 -2.326 0.000) 3.413 11.318 ( -8.665 1.142 0.000) 8.740 13.541 ( -0.591 6.027 0.000) 6.056 13.684 ( -18.628 -0.357 0.000) 18.632 13.739 ( -3.259 -5.851 0.000) 6.697 14.046 ( 17.261 0.031 0.000) 17.261 14.820 ( 21.732 7.748 0.000) 23.072 16.231 ( 10.710 -3.687 0.000) 11.326 16.298 ( 6.213 -10.122 0.000) 11.877 24.615 ( 1.174 0.192 0.000) 1.189 29.745 ( -10.473 0.021 0.000) 10.473 32.691 ( -17.734 -0.430 0.000) 17.739 37.726 ( 5.926 -0.069 0.000) 5.926 79.480 ( 0.057 0.041 0.000) 0.070 86.341 ( 28.980 3.461 0.000) 29.186 ======================= Grid point 73 (53/511) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( -14.064 7.782 0.000) 16.073 3.848 ( -27.122 12.878 0.000) 30.024 4.596 ( -0.839 -15.889 0.000) 15.911 5.515 ( -33.728 -10.058 0.000) 35.195 7.441 ( 12.742 2.916 0.000) 13.071 7.826 ( -29.665 7.175 0.000) 30.520 8.241 ( -37.103 -1.173 0.000) 37.122 9.072 ( 3.116 -1.502 0.000) 3.459 10.202 ( 0.433 1.265 0.000) 1.337 10.666 ( -2.645 -2.760 0.000) 3.823 11.197 ( -3.762 0.946 0.000) 3.879 13.314 ( -14.487 1.170 0.000) 14.534 13.345 ( -15.868 0.059 0.000) 15.868 13.847 ( 7.990 3.683 0.000) 8.798 14.318 ( 11.265 -4.383 0.000) 12.088 15.310 ( 27.162 17.526 0.000) 32.325 16.320 ( 2.121 -26.384 0.000) 26.469 16.599 ( 15.488 -1.043 0.000) 15.523 24.638 ( 1.223 0.220 0.000) 1.243 29.531 ( -11.441 0.115 0.000) 11.442 32.317 ( -21.149 -1.332 0.000) 21.191 37.853 ( 7.118 -0.078 0.000) 7.118 79.483 ( 0.237 0.110 0.000) 0.262 87.001 ( 42.944 10.315 0.000) 44.165 ======================= Grid point 74 (54/511) ======================= q-point: (-0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( -15.015 18.444 0.000) 23.783 3.219 ( -29.733 16.398 0.000) 33.955 4.646 ( -43.845 -7.961 0.000) 44.562 4.714 ( -11.135 -14.763 0.000) 18.491 7.067 ( -44.651 7.339 0.000) 45.250 7.643 ( 9.831 4.136 0.000) 10.665 7.786 ( -13.508 -14.116 0.000) 19.537 9.142 ( 3.302 -0.634 0.000) 3.362 10.186 ( -1.158 2.757 0.000) 2.991 10.557 ( -9.855 -1.821 0.000) 10.022 11.150 ( -1.001 0.337 0.000) 1.056 13.059 ( -10.997 0.167 0.000) 10.999 13.075 ( -12.048 0.041 0.000) 12.048 13.924 ( 0.856 5.020 0.000) 5.092 14.508 ( 3.569 -5.675 0.000) 6.704 15.518 ( 4.142 5.884 0.000) 7.196 16.743 ( 26.900 -16.619 0.000) 31.620 16.881 ( 14.342 -2.395 0.000) 14.541 24.660 ( 1.136 0.180 0.000) 1.150 29.313 ( -10.705 0.271 0.000) 10.708 31.901 ( -22.649 -2.851 0.000) 22.827 37.998 ( 7.675 -0.085 0.000) 7.676 79.488 ( 0.435 0.265 0.000) 0.509 87.894 ( 57.455 21.398 0.000) 61.311 ======================= Grid point 75 (55/511) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -27.504 22.437 0.000) 35.495 2.624 ( -16.340 28.913 0.000) 33.211 3.461 ( -63.952 3.531 0.000) 64.049 4.835 ( 2.489 -18.928 0.000) 19.091 6.161 ( -43.962 2.386 0.000) 44.027 7.736 ( -2.698 -21.353 0.000) 21.523 7.783 ( 6.754 4.336 0.000) 8.026 9.196 ( 1.913 -0.155 0.000) 1.919 10.136 ( -2.201 3.032 0.000) 3.746 10.325 ( -13.603 -0.672 0.000) 13.620 11.143 ( -0.026 -0.318 0.000) 0.319 12.880 ( -8.221 -0.081 0.000) 8.222 12.893 ( -6.354 -0.009 0.000) 6.354 13.742 ( -22.935 -7.287 0.000) 24.065 14.491 ( -3.479 2.403 0.000) 4.228 15.612 ( 6.591 -6.252 0.000) 9.084 17.058 ( 8.565 -0.558 0.000) 8.583 17.476 ( 35.561 -4.240 0.000) 35.813 24.679 ( 0.902 0.099 0.000) 0.907 29.125 ( -8.310 0.450 0.000) 8.323 31.483 ( -22.069 -4.285 0.000) 22.481 38.146 ( 7.452 -0.352 0.000) 7.460 79.496 ( 0.560 0.500 0.000) 0.750 89.005 ( 71.004 31.431 0.000) 77.650 ======================= Grid point 76 (56/511) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -51.871 16.462 0.000) 54.420 1.985 ( -20.547 30.819 0.000) 37.041 2.505 ( -17.223 36.222 0.000) 40.108 4.975 ( 1.992 -19.604 0.000) 19.705 5.441 ( -28.219 -2.658 0.000) 28.344 7.837 ( 0.549 -24.288 0.000) 24.294 7.866 ( 3.837 3.452 0.000) 5.161 9.211 ( -0.596 -0.472 0.000) 0.760 10.068 ( -6.566 0.634 0.000) 6.597 10.106 ( -4.607 1.227 0.000) 4.768 11.142 ( -0.506 -0.659 0.000) 0.831 12.751 ( -6.210 -1.047 0.000) 6.297 12.805 ( -2.979 0.223 0.000) 2.987 13.134 ( -39.336 -11.617 0.000) 41.016 14.426 ( 0.225 11.866 0.000) 11.868 15.782 ( 5.697 -8.517 0.000) 10.247 17.183 ( 4.226 -0.455 0.000) 4.250 18.110 ( 26.959 1.382 0.000) 26.995 24.692 ( 0.515 0.023 0.000) 0.516 28.997 ( -4.560 0.595 0.000) 4.599 31.112 ( -17.323 -3.212 0.000) 17.619 38.282 ( 5.776 -1.591 0.000) 5.992 79.504 ( 0.467 0.709 0.000) 0.849 90.284 ( 71.670 23.645 0.000) 75.469 ======================= Grid point 77 (57/511) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 511 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -0.000 21.322 0.000) 21.322 1.613 ( -0.000 37.294 0.000) 37.294 2.158 ( -0.000 49.429 0.000) 49.429 5.094 ( 0.000 -19.399 0.000) 19.399 5.177 ( 0.000 -4.956 0.000) 4.956 7.885 ( -0.000 4.831 0.000) 4.831 7.976 ( 0.000 -26.767 0.000) 26.767 9.196 ( 0.000 -0.268 0.000) 0.268 9.976 ( 0.000 -0.103 0.000) 0.103 10.083 ( -0.000 0.665 0.000) 0.665 11.135 ( 0.000 -0.606 0.000) 0.606 12.565 ( -0.000 0.000 0.000) 0.000 12.762 ( -0.000 1.462 0.000) 1.462 12.793 ( -0.000 0.104 0.000) 0.104 14.365 ( -0.000 14.110 0.000) 14.110 15.881 ( 0.000 -8.273 0.000) 8.273 17.226 ( 0.000 -0.436 0.000) 0.436 18.393 ( -0.000 0.892 0.000) 0.892 24.698 ( 0.000 -0.009 0.000) 0.009 28.949 ( -0.000 0.652 0.000) 0.652 30.924 ( -0.000 0.115 0.000) 0.115 38.359 ( 0.000 -3.200 0.000) 3.200 79.505 ( -0.000 0.774 0.000) 0.774 91.104 ( 0.000 -0.830 0.000) 0.830 ======================= Grid point 86 (58/511) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.915 ( -16.202 0.000 0.000) 16.202 4.362 ( -1.120 0.000 0.000) 1.120 5.103 ( -25.699 0.000 0.000) 25.699 5.874 ( 4.495 -0.000 0.000) 4.495 6.865 ( 18.297 -0.000 0.000) 18.297 8.822 ( -9.795 0.000 0.000) 9.795 9.081 ( -9.751 0.000 0.000) 9.751 9.585 ( -22.003 0.000 0.000) 22.003 10.178 ( -1.007 0.000 0.000) 1.007 10.562 ( 4.375 -0.000 0.000) 4.375 11.569 ( -16.534 0.000 0.000) 16.534 13.434 ( 32.720 -0.000 0.000) 32.720 13.463 ( 6.481 -0.000 0.000) 6.481 13.939 ( -5.650 0.000 0.000) 5.650 14.088 ( -21.904 0.000 0.000) 21.904 14.760 ( -9.914 0.000 0.000) 9.914 15.868 ( 21.255 -0.000 0.000) 21.255 16.151 ( 6.807 -0.000 0.000) 6.807 24.596 ( 0.997 -0.000 0.000) 0.997 29.926 ( -7.978 0.000 0.000) 7.978 32.985 ( -12.719 0.000 0.000) 12.719 37.627 ( 4.232 -0.000 0.000) 4.232 79.480 ( -0.040 0.000 0.000) 0.040 85.915 ( 17.005 -0.000 0.000) 17.005 ======================= Grid point 88 (59/511) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( -11.356 0.062 0.000) 11.356 4.347 ( -1.407 3.610 0.000) 3.875 4.597 ( -25.934 -4.626 0.000) 26.344 5.826 ( -10.980 -2.681 0.000) 11.303 7.192 ( 15.720 0.655 0.000) 15.733 8.439 ( -26.836 1.551 0.000) 26.881 8.999 ( -10.558 2.522 0.000) 10.855 9.027 ( -24.555 -1.177 0.000) 24.583 10.186 ( 1.361 -0.189 0.000) 1.374 10.632 ( 2.328 -0.874 0.000) 2.487 11.325 ( -8.828 0.407 0.000) 8.837 13.603 ( -2.792 6.290 0.000) 6.881 13.663 ( -5.943 -5.050 0.000) 7.799 13.698 ( -12.296 -1.314 0.000) 12.366 14.047 ( 16.328 0.020 0.000) 16.328 14.875 ( 24.246 3.084 0.000) 24.441 16.174 ( -4.721 -4.398 0.000) 6.452 16.258 ( 18.373 -0.795 0.000) 18.390 24.617 ( 1.175 0.068 0.000) 1.177 29.745 ( -10.454 0.007 0.000) 10.454 32.688 ( -17.890 -0.147 0.000) 17.890 37.726 ( 5.920 -0.027 0.000) 5.920 79.480 ( 0.068 0.015 0.000) 0.069 86.364 ( 30.192 1.191 0.000) 30.216 ======================= Grid point 89 (60/511) ======================= q-point: (-0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( -10.601 4.525 0.000) 11.526 3.969 ( -27.092 11.050 0.000) 29.259 4.452 ( -0.300 -12.623 0.000) 12.626 5.435 ( -32.779 -5.847 0.000) 33.297 7.463 ( 12.875 1.528 0.000) 12.965 7.889 ( -27.135 5.120 0.000) 27.614 8.225 ( -43.677 -1.752 0.000) 43.712 9.059 ( 3.524 -0.938 0.000) 3.647 10.214 ( 1.213 0.923 0.000) 1.524 10.643 ( -2.447 -1.738 0.000) 3.001 11.205 ( -3.946 0.558 0.000) 3.985 13.323 ( -15.344 0.627 0.000) 15.356 13.346 ( -15.865 0.026 0.000) 15.865 13.878 ( 10.521 2.367 0.000) 10.784 14.282 ( 9.598 -2.746 0.000) 9.983 15.485 ( 33.077 17.215 0.000) 37.288 16.076 ( -4.746 -22.112 0.000) 22.616 16.593 ( 15.767 -0.308 0.000) 15.770 24.639 ( 1.203 0.120 0.000) 1.209 29.532 ( -11.399 0.062 0.000) 11.400 32.307 ( -21.498 -0.678 0.000) 21.509 37.852 ( 7.104 -0.068 0.000) 7.105 79.483 ( 0.273 0.063 0.000) 0.280 87.079 ( 45.576 5.337 0.000) 45.888 ======================= Grid point 90 (61/511) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( -10.431 13.686 0.000) 17.208 3.369 ( -28.115 13.559 0.000) 31.214 4.531 ( -3.076 -12.982 0.000) 13.341 4.616 ( -49.664 -6.537 0.000) 50.092 7.149 ( -46.685 8.915 0.000) 47.529 7.648 ( -15.642 -12.551 0.000) 20.055 7.678 ( 8.489 2.028 0.000) 8.728 9.136 ( 3.676 -0.530 0.000) 3.714 10.211 ( -0.808 2.241 0.000) 2.382 10.539 ( -9.283 -1.636 0.000) 9.426 11.154 ( -1.353 0.292 0.000) 1.384 13.061 ( -11.217 0.110 0.000) 11.217 13.075 ( -12.070 0.026 0.000) 12.070 13.965 ( -2.187 3.317 0.000) 3.973 14.462 ( 6.072 -3.470 0.000) 6.994 15.569 ( -6.065 4.387 0.000) 7.486 16.597 ( 38.569 -12.195 0.000) 40.451 16.870 ( 13.163 -0.511 0.000) 13.173 24.661 ( 1.097 0.121 0.000) 1.103 29.316 ( -10.644 0.180 0.000) 10.646 31.878 ( -23.065 -1.681 0.000) 23.126 37.996 ( 7.574 -0.179 0.000) 7.576 79.490 ( 0.513 0.187 0.000) 0.546 88.063 ( 60.491 12.909 0.000) 61.853 ======================= Grid point 91 (62/511) ======================= q-point: (-0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -24.962 19.201 0.000) 31.493 2.892 ( -14.021 25.190 0.000) 28.829 3.476 ( -58.347 -0.621 0.000) 58.350 4.657 ( 2.142 -16.883 0.000) 17.019 6.192 ( -46.287 3.793 0.000) 46.442 7.531 ( -5.368 -19.196 0.000) 19.932 7.825 ( 6.957 3.556 0.000) 7.813 9.195 ( 1.943 -0.175 0.000) 1.950 10.164 ( -2.555 2.555 0.000) 3.613 10.318 ( -13.241 -0.859 0.000) 13.268 11.140 ( -0.269 -0.275 0.000) 0.384 12.879 ( -8.345 -0.070 0.000) 8.345 12.893 ( -6.243 0.071 0.000) 6.244 13.674 ( -28.927 -6.149 0.000) 29.573 14.533 ( 2.907 5.313 0.000) 6.056 15.550 ( 3.993 -6.009 0.000) 7.215 17.053 ( 8.774 -0.475 0.000) 8.786 17.445 ( 39.952 -2.303 0.000) 40.018 24.680 ( 0.859 0.077 0.000) 0.863 29.129 ( -8.249 0.343 0.000) 8.256 31.450 ( -21.871 -2.554 0.000) 22.020 38.141 ( 7.022 -0.618 0.000) 7.049 79.501 ( 0.657 0.398 0.000) 0.768 89.252 ( 69.514 19.224 0.000) 72.123 ======================= Grid point 92 (63/511) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -56.110 11.917 0.000) 57.362 2.274 ( -16.431 27.344 0.000) 31.901 2.842 ( -5.744 31.289 0.000) 31.812 4.783 ( 1.657 -18.984 0.000) 19.056 5.420 ( -30.423 -1.540 0.000) 30.462 7.585 ( -0.983 -24.527 0.000) 24.547 7.911 ( 3.846 4.050 0.000) 5.585 9.207 ( -0.676 -0.319 0.000) 0.747 10.072 ( -8.509 0.256 0.000) 8.512 10.118 ( -3.401 1.004 0.000) 3.546 11.137 ( -0.512 -0.532 0.000) 0.738 12.741 ( -7.598 -0.998 0.000) 7.663 12.808 ( -2.700 0.465 0.000) 2.739 13.049 ( -32.051 -6.210 0.000) 32.647 14.545 ( 2.519 11.921 0.000) 12.184 15.696 ( 5.347 -8.596 0.000) 10.124 17.179 ( 4.239 -0.414 0.000) 4.259 18.121 ( 27.422 0.980 0.000) 27.440 24.693 ( 0.488 0.022 0.000) 0.488 29.002 ( -4.519 0.504 0.000) 4.547 31.088 ( -15.582 -1.709 0.000) 15.675 38.264 ( 4.854 -1.783 0.000) 5.171 79.510 ( 0.520 0.607 0.000) 0.799 90.458 ( 58.943 12.778 0.000) 60.312 ======================= Grid point 93 (64/511) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -0.000 17.225 0.000) 17.225 1.961 ( -0.000 33.106 0.000) 33.106 2.616 ( -0.000 43.103 0.000) 43.103 4.898 ( 0.000 -20.099 0.000) 20.099 5.129 ( 0.000 -4.763 0.000) 4.763 7.708 ( 0.000 -27.036 0.000) 27.036 7.930 ( -0.000 4.172 0.000) 4.172 9.193 ( 0.000 -0.246 0.000) 0.246 9.975 ( 0.000 -0.067 0.000) 0.067 10.089 ( -0.000 0.583 0.000) 0.583 11.130 ( 0.000 -0.406 0.000) 0.406 12.564 ( 0.000 -0.120 0.000) 0.120 12.776 ( -0.000 1.339 0.000) 1.339 12.794 ( -0.000 0.096 0.000) 0.096 14.505 ( -0.000 14.118 0.000) 14.118 15.796 ( 0.000 -8.957 0.000) 8.957 17.222 ( 0.000 -0.435 0.000) 0.435 18.401 ( -0.000 0.820 0.000) 0.820 24.698 ( 0.000 -0.005 0.000) 0.005 28.955 ( -0.000 0.603 0.000) 0.603 30.925 ( -0.000 0.105 0.000) 0.105 38.328 ( 0.000 -2.961 0.000) 2.961 79.512 ( -0.000 0.716 0.000) 0.716 91.096 ( 0.000 -0.767 0.000) 0.767 ======================= Grid point 104 (65/511) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 511 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( -9.305 0.000 0.000) 9.305 4.034 ( -28.920 0.000 0.000) 28.920 4.380 ( 1.733 -0.000 0.000) 1.733 5.406 ( -32.583 0.000 0.000) 32.583 7.471 ( 12.927 -0.000 0.000) 12.927 7.916 ( -25.307 0.000 0.000) 25.307 8.215 ( -46.909 0.000 0.000) 46.909 9.055 ( 3.690 -0.000 0.000) 3.690 10.219 ( 1.503 -0.000 0.000) 1.503 10.634 ( -2.392 0.000 0.000) 2.392 11.207 ( -4.007 0.000 0.000) 4.007 13.326 ( -15.653 0.000 0.000) 15.653 13.346 ( -15.859 0.000 0.000) 15.859 13.890 ( 11.564 -0.000 0.000) 11.564 14.268 ( 8.866 -0.000 0.000) 8.866 15.595 ( 44.602 -0.000 0.000) 44.602 15.941 ( -16.530 0.000 0.000) 16.530 16.592 ( 15.808 -0.000 0.000) 15.808 24.640 ( 1.197 -0.000 0.000) 1.197 29.532 ( -11.385 0.000 0.000) 11.385 32.303 ( -21.612 0.000 0.000) 21.612 37.852 ( 7.095 -0.000 0.000) 7.095 79.484 ( 0.286 -0.000 0.000) 0.286 87.105 ( 46.452 -0.000 0.000) 46.452 ======================= Grid point 106 (66/511) ======================= q-point: (-0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( -7.477 5.208 0.000) 9.112 3.468 ( -27.692 5.689 0.000) 28.270 4.434 ( 1.877 -5.687 0.000) 5.989 4.570 ( -53.429 -2.571 0.000) 53.491 7.228 ( -50.601 5.715 0.000) 50.923 7.541 ( -16.104 -7.161 0.000) 17.625 7.695 ( 9.799 0.918 0.000) 9.842 9.132 ( 3.901 -0.206 0.000) 3.906 10.227 ( -0.644 0.889 0.000) 1.098 10.527 ( -8.950 -0.680 0.000) 8.975 11.156 ( -1.566 0.114 0.000) 1.570 13.061 ( -11.327 0.039 0.000) 11.327 13.076 ( -12.083 0.009 0.000) 12.083 13.987 ( -4.633 1.152 0.000) 4.774 14.440 ( 8.443 -1.156 0.000) 8.522 15.600 ( -13.643 1.694 0.000) 13.748 16.514 ( 46.412 -4.403 0.000) 46.620 16.867 ( 12.999 -0.134 0.000) 13.000 24.662 ( 1.076 0.043 0.000) 1.076 29.317 ( -10.612 0.063 0.000) 10.612 31.868 ( -23.244 -0.553 0.000) 23.250 37.995 ( 7.497 -0.083 0.000) 7.497 79.492 ( 0.555 0.068 0.000) 0.559 88.147 ( 61.807 4.294 0.000) 61.956 ======================= Grid point 107 (67/511) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( -23.777 11.713 0.000) 26.506 3.109 ( -10.277 18.362 0.000) 21.042 3.447 ( -56.483 -5.036 0.000) 56.707 4.517 ( 2.028 -10.681 0.000) 10.872 6.230 ( -48.437 3.329 0.000) 48.551 7.375 ( -6.717 -11.768 0.000) 13.550 7.852 ( 6.923 1.830 0.000) 7.161 9.193 ( 1.998 -0.112 0.000) 2.001 10.185 ( -2.860 1.563 0.000) 3.259 10.310 ( -12.976 -0.679 0.000) 12.994 11.138 ( -0.448 -0.158 0.000) 0.475 12.879 ( -8.432 -0.035 0.000) 8.432 12.894 ( -6.127 0.063 0.000) 6.128 13.626 ( -31.429 -3.301 0.000) 31.602 14.581 ( 6.598 3.885 0.000) 7.656 15.500 ( 2.141 -3.806 0.000) 4.367 17.049 ( 8.958 -0.273 0.000) 8.962 17.429 ( 42.337 -0.994 0.000) 42.349 24.680 ( 0.831 0.042 0.000) 0.832 29.132 ( -8.208 0.185 0.000) 8.210 31.432 ( -21.674 -1.184 0.000) 21.706 38.135 ( 6.717 -0.430 0.000) 6.731 79.504 ( 0.720 0.220 0.000) 0.752 89.390 ( 67.958 9.046 0.000) 68.557 ======================= Grid point 108 (68/511) ======================= q-point: (-0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -57.044 7.524 0.000) 57.538 2.509 ( -14.317 19.834 0.000) 24.461 3.104 ( 1.283 21.245 0.000) 21.283 4.614 ( 1.382 -14.747 0.000) 14.812 5.412 ( -32.726 -0.297 0.000) 32.728 7.371 ( -1.883 -18.136 0.000) 18.233 7.943 ( 3.643 2.523 0.000) 4.431 9.205 ( -0.711 -0.187 0.000) 0.736 10.074 ( -9.355 0.113 0.000) 9.356 10.126 ( -3.062 0.622 0.000) 3.124 11.132 ( -0.446 -0.332 0.000) 0.556 12.732 ( -8.571 -0.658 0.000) 8.596 12.813 ( -2.466 0.432 0.000) 2.504 13.005 ( -27.327 -3.085 0.000) 27.500 14.651 ( 3.862 9.200 0.000) 9.977 15.618 ( 5.015 -6.899 0.000) 8.529 17.175 ( 4.250 -0.290 0.000) 4.260 18.129 ( 27.668 0.599 0.000) 27.674 24.693 ( 0.467 0.016 0.000) 0.467 29.006 ( -4.487 0.337 0.000) 4.499 31.076 ( -14.580 -0.840 0.000) 14.604 38.249 ( 4.301 -1.321 0.000) 4.499 79.515 ( 0.556 0.407 0.000) 0.690 90.550 ( 51.438 6.336 0.000) 51.827 ======================= Grid point 109 (69/511) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 511 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -0.000 12.170 0.000) 12.170 2.255 ( -0.000 26.247 0.000) 26.247 2.994 ( -0.000 33.124 0.000) 33.124 4.709 ( 0.000 -17.758 0.000) 17.758 5.086 ( 0.000 -3.779 0.000) 3.779 7.458 ( 0.000 -22.867 0.000) 22.867 7.966 ( -0.000 3.027 0.000) 3.027 9.191 ( 0.000 -0.187 0.000) 0.187 9.975 ( 0.000 -0.037 0.000) 0.037 10.094 ( -0.000 0.428 0.000) 0.428 11.127 ( 0.000 -0.230 0.000) 0.230 12.563 ( 0.000 -0.142 0.000) 0.142 12.788 ( -0.000 1.007 0.000) 1.007 12.795 ( -0.000 0.074 0.000) 0.074 14.636 ( -0.000 12.082 0.000) 12.082 15.709 ( 0.000 -8.271 0.000) 8.271 17.218 ( 0.000 -0.353 0.000) 0.353 18.408 ( -0.000 0.625 0.000) 0.625 24.698 ( 0.000 -0.001 0.000) 0.001 28.961 ( -0.000 0.462 0.000) 0.462 30.926 ( -0.000 0.080 0.000) 0.080 38.302 ( 0.000 -2.269 0.000) 2.269 79.519 ( -0.000 0.548 0.000) 0.548 91.090 ( 0.000 -0.588 0.000) 0.588 ======================= Grid point 122 (70/511) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -23.549 0.000 0.000) 23.549 3.217 ( -1.092 0.000 0.000) 1.092 3.406 ( -63.574 0.000 0.000) 63.574 4.462 ( 2.053 -0.000 0.000) 2.053 6.248 ( -49.413 0.000 0.000) 49.413 7.314 ( -7.032 0.000 0.000) 7.032 7.861 ( 6.907 -0.000 0.000) 6.907 9.193 ( 2.023 -0.000 0.000) 2.023 10.193 ( -2.960 0.000 0.000) 2.960 10.306 ( -12.899 0.000 0.000) 12.899 11.138 ( -0.513 0.000 0.000) 0.513 12.878 ( -8.463 0.000 0.000) 8.463 12.894 ( -6.078 0.000 0.000) 6.078 13.610 ( -32.085 0.000 0.000) 32.085 14.601 ( 7.854 -0.000 0.000) 7.854 15.480 ( 1.422 -0.000 0.000) 1.422 17.048 ( 9.031 -0.000 0.000) 9.031 17.424 ( 43.085 -0.000 0.000) 43.085 24.681 ( 0.821 -0.000 0.000) 0.821 29.133 ( -8.193 0.000 0.000) 8.193 31.426 ( -21.598 0.000 0.000) 21.598 38.133 ( 6.608 -0.000 0.000) 6.608 79.505 ( 0.741 -0.000 0.000) 0.741 89.434 ( 67.347 -0.000 0.000) 67.347 ======================= Grid point 124 (71/511) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -57.212 2.592 0.000) 57.270 2.648 ( -13.378 7.498 0.000) 15.336 3.248 ( 4.962 7.550 0.000) 9.034 4.509 ( 1.251 -5.790 0.000) 5.923 5.412 ( -34.325 0.128 0.000) 34.325 7.245 ( -2.344 -6.821 0.000) 7.213 7.960 ( 3.553 0.856 0.000) 3.654 9.204 ( -0.725 -0.062 0.000) 0.728 10.075 ( -9.686 0.033 0.000) 9.686 10.130 ( -2.984 0.209 0.000) 2.992 11.130 ( -0.391 -0.112 0.000) 0.407 12.728 ( -9.039 -0.224 0.000) 9.041 12.816 ( -2.333 0.175 0.000) 2.339 12.986 ( -25.096 -0.945 0.000) 25.114 14.716 ( 4.563 3.580 0.000) 5.800 15.569 ( 4.766 -2.766 0.000) 5.511 17.173 ( 4.257 -0.104 0.000) 4.258 18.133 ( 27.777 0.203 0.000) 27.777 24.693 ( 0.456 0.006 0.000) 0.456 29.009 ( -4.469 0.118 0.000) 4.471 31.071 ( -14.125 -0.253 0.000) 14.128 38.240 ( 4.041 -0.482 0.000) 4.070 79.518 ( 0.575 0.143 0.000) 0.592 90.589 ( 47.993 1.916 0.000) 48.031 ======================= Grid point 125 (72/511) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -0.000 6.317 0.000) 6.317 2.463 ( -0.000 15.212 0.000) 15.212 3.252 ( -0.000 18.467 0.000) 18.467 4.563 ( 0.000 -11.016 0.000) 11.016 5.057 ( 0.000 -2.098 0.000) 2.098 7.275 ( 0.000 -13.479 0.000) 13.479 7.989 ( -0.000 1.584 0.000) 1.584 9.190 ( 0.000 -0.101 0.000) 0.101 9.974 ( 0.000 -0.015 0.000) 0.015 10.097 ( -0.000 0.226 0.000) 0.226 11.125 ( 0.000 -0.100 0.000) 0.100 12.561 ( 0.000 -0.090 0.000) 0.090 12.795 ( -0.000 0.040 0.000) 0.040 12.795 ( -0.000 0.538 0.000) 0.538 14.734 ( -0.000 7.355 0.000) 7.355 15.640 ( 0.000 -5.340 0.000) 5.340 17.215 ( 0.000 -0.198 0.000) 0.198 18.413 ( -0.000 0.337 0.000) 0.337 24.698 ( -0.000 0.000 0.000) 0.000 28.964 ( -0.000 0.250 0.000) 0.250 30.927 ( -0.000 0.043 0.000) 0.043 38.285 ( 0.000 -1.229 0.000) 1.229 79.523 ( -0.000 0.297 0.000) 0.297 91.085 ( 0.000 -0.318 0.000) 0.318 ======================= Grid point 141 (73/511) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -0.000 0.000 0.000) 0.000 2.540 ( -0.000 0.000 0.000) 0.000 3.345 ( 0.000 -0.000 0.000) 0.000 4.507 ( -0.000 0.000 0.000) 0.000 5.046 ( -0.000 0.000 0.000) 0.000 7.207 ( -0.000 0.000 0.000) 0.000 7.996 ( -0.000 0.000 0.000) 0.000 9.189 ( -0.000 0.000 0.000) 0.000 9.974 ( -0.000 0.000 0.000) 0.000 10.098 ( -0.000 0.000 0.000) 0.000 11.125 ( -0.000 0.000 0.000) 0.000 12.561 ( -0.000 0.000 0.000) 0.000 12.795 ( -0.000 0.000 0.000) 0.000 12.798 ( -0.000 0.000 0.000) 0.000 14.771 ( 0.000 -0.000 0.000) 0.000 15.613 ( -0.000 0.000 0.000) 0.000 17.214 ( -0.000 0.000 0.000) 0.000 18.415 ( -0.000 0.000 0.000) 0.000 24.698 ( -0.000 0.000 0.000) 0.000 28.965 ( -0.000 0.000 0.000) 0.000 30.927 ( -0.000 0.000 0.000) 0.000 38.278 ( -0.000 0.000 0.000) 0.000 79.524 ( -0.000 0.000 0.000) 0.000 91.084 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 265 (74/511) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 0.000 0.000 42.063) 42.063 0.970 ( 0.000 0.000 45.681) 45.681 1.803 ( 0.000 0.000 83.355) 83.355 5.274 ( 0.000 0.000 -2.090) 2.090 5.894 ( 0.000 0.000 13.608) 13.608 7.749 ( 0.000 0.000 9.733) 9.733 8.681 ( 0.000 0.000 2.248) 2.248 9.263 ( 0.000 0.000 5.625) 5.625 9.377 ( 0.000 0.000 10.447) 10.447 9.977 ( 0.000 0.000 -0.260) 0.260 10.080 ( 0.000 0.000 1.525) 1.525 11.186 ( 0.000 0.000 2.510) 2.510 12.737 ( 0.000 0.000 -5.080) 5.080 13.761 ( 0.000 0.000 -11.868) 11.868 15.168 ( 0.000 0.000 -19.088) 19.088 15.817 ( 0.000 0.000 -7.480) 7.480 17.581 ( 0.000 0.000 27.495) 27.495 20.580 ( 0.000 0.000 5.172) 5.172 25.784 ( 0.000 0.000 17.538) 17.538 28.977 ( 0.000 0.000 4.220) 4.220 30.895 ( 0.000 0.000 -2.522) 2.522 37.942 ( 0.000 0.000 -21.097) 21.097 82.193 ( 0.000 0.000 11.256) 11.256 86.857 ( 0.000 0.000 -8.253) 8.253 ======================= Grid point 266 (75/511) ======================= q-point: ( 0.06 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 24.393 -4.591 29.302) 38.402 1.532 ( 36.610 -5.694 35.848) 51.554 2.321 ( 51.895 -5.124 58.409) 78.301 5.506 ( 23.211 0.695 -2.347) 23.340 5.761 ( -6.520 4.692 19.278) 20.884 7.740 ( -2.064 -3.574 10.471) 11.254 8.506 ( -5.713 3.829 -1.784) 7.105 9.327 ( -3.447 1.820 8.387) 9.249 9.950 ( 8.489 -3.529 -3.057) 9.688 10.097 ( 11.278 0.109 1.359) 11.360 10.655 ( 51.045 -6.559 -50.539) 72.130 11.313 ( 19.961 0.438 -8.851) 21.840 12.755 ( 1.867 -0.015 -6.024) 6.307 13.732 ( -3.077 -1.238 -11.570) 12.036 15.094 ( -5.351 6.950 -16.733) 18.893 15.753 ( -8.273 -4.783 -9.345) 13.366 17.531 ( -4.091 3.252 27.982) 28.465 19.713 ( -54.780 19.162 58.157) 82.160 25.328 ( -21.579 5.161 40.673) 46.331 29.024 ( 4.750 -0.114 4.285) 6.399 31.268 ( 23.592 3.849 -17.372) 29.550 37.925 ( -2.870 -2.887 -21.483) 21.866 80.989 ( -60.681 22.305 73.190) 97.655 86.927 ( -12.947 -50.049 -13.956) 53.547 ======================= Grid point 267 (76/511) ======================= q-point: ( 0.12 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 32.898 -6.118 15.010) 36.674 2.239 ( 33.999 -9.441 31.073) 47.017 3.589 ( 70.637 -2.912 30.714) 77.081 5.623 ( -4.970 7.634 17.665) 19.875 6.105 ( 36.618 -0.143 -3.511) 36.786 7.711 ( -2.601 -4.249 13.322) 14.223 8.375 ( -6.038 5.868 -2.582) 8.807 9.247 ( -3.790 1.167 5.576) 6.842 10.052 ( 3.766 -1.648 1.741) 4.464 10.360 ( 14.785 0.139 3.147) 15.117 11.061 ( 4.709 -2.077 -10.291) 11.506 11.980 ( 34.129 -0.230 -49.388) 60.033 12.813 ( 4.304 -0.025 -8.727) 9.731 13.664 ( -4.810 -3.174 -11.197) 12.593 14.911 ( -9.767 7.314 -14.429) 18.897 15.537 ( -16.668 -6.404 -8.936) 19.967 17.401 ( -7.465 3.712 28.464) 29.660 18.806 ( -31.159 15.673 59.402) 68.885 25.062 ( -7.358 1.449 33.616) 34.442 29.156 ( 8.698 -0.190 4.480) 9.786 31.641 ( 18.738 4.417 -12.189) 22.786 37.858 ( -5.074 -1.823 -21.190) 21.865 80.182 ( -21.810 6.918 54.482) 59.092 86.823 ( -18.409 -35.179 -11.544) 41.349 ======================= Grid point 268 (77/511) ======================= q-point: ( 0.19 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 34.443 -5.597 7.658) 35.726 2.945 ( 34.104 -8.938 22.008) 41.560 4.931 ( 63.851 -0.067 18.138) 66.377 5.494 ( -2.376 9.702 18.065) 20.642 6.821 ( 33.180 -1.683 -7.400) 34.037 7.715 ( 2.961 -4.181 19.950) 20.598 8.215 ( -7.144 4.601 0.652) 8.522 9.175 ( -2.940 1.292 2.978) 4.379 10.128 ( 3.398 -1.015 1.699) 3.933 10.621 ( 11.218 0.148 3.418) 11.728 11.115 ( 1.363 -0.645 -3.132) 3.476 12.524 ( 23.928 -0.000 -39.328) 46.035 12.929 ( 7.910 -0.215 -12.529) 14.818 13.589 ( -4.766 -4.673 -11.456) 13.258 14.652 ( -13.595 5.380 -12.638) 19.325 15.197 ( -21.063 -6.560 -5.630) 22.768 17.211 ( -10.561 2.344 29.036) 30.986 18.249 ( -20.731 15.777 45.607) 52.523 24.959 ( -3.629 0.423 28.397) 28.631 29.352 ( 11.215 -0.202 4.802) 12.201 31.983 ( 18.878 3.003 -7.946) 20.702 37.754 ( -6.225 -0.799 -20.833) 21.758 79.889 ( -8.822 2.409 35.908) 37.054 86.592 ( -19.546 -22.258 -9.844) 31.215 ======================= Grid point 269 (78/511) ======================= q-point: ( 0.25 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 32.776 -3.067 4.750) 33.260 3.627 ( 31.968 -7.074 15.470) 36.212 5.309 ( -3.570 8.978 13.444) 16.556 6.081 ( 44.884 8.797 14.069) 47.852 7.212 ( 4.241 -6.417 -2.245) 8.012 7.931 ( 12.969 2.482 16.889) 21.438 8.191 ( 13.421 -6.966 8.303) 17.251 9.121 ( -1.868 1.677 0.986) 2.697 10.188 ( 2.421 0.037 0.445) 2.461 10.761 ( 3.075 0.688 1.570) 3.520 11.145 ( 1.997 -0.326 -2.492) 3.210 12.950 ( 20.647 0.233 -29.505) 36.012 13.122 ( 11.419 -1.090 -15.816) 19.538 13.532 ( -3.244 -4.314 -14.507) 15.479 14.344 ( -15.410 3.861 -8.530) 18.031 14.822 ( -20.043 -5.900 -1.834) 20.974 16.972 ( -13.303 0.895 30.929) 33.681 17.802 ( -18.114 15.848 36.860) 44.022 24.902 ( -2.376 0.042 25.899) 26.007 29.580 ( 11.957 -0.160 5.227) 13.051 32.336 ( 18.625 1.696 -5.780) 19.575 37.633 ( -6.392 -0.209 -20.528) 21.501 79.762 ( -4.223 0.977 25.976) 26.335 86.306 ( -18.539 -12.573 -8.826) 24.076 ======================= Grid point 270 (79/511) ======================= q-point: ( 0.31 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( 29.453 1.571 4.264) 29.802 4.219 ( 25.149 -4.263 12.061) 28.216 5.226 ( 1.046 7.610 14.170) 16.118 6.472 ( 1.946 14.385 6.876) 16.062 7.157 ( -11.528 -6.449 8.964) 15.963 8.306 ( 30.248 -4.710 13.091) 33.294 8.688 ( 24.907 -8.441 8.856) 27.750 9.091 ( 0.112 1.301 1.134) 1.730 10.222 ( 1.560 1.247 -1.567) 2.539 10.737 ( -4.394 1.627 -1.739) 4.998 11.216 ( 5.388 -1.426 -3.739) 6.712 13.247 ( 5.325 -0.543 -16.741) 17.576 13.390 ( 16.200 -2.534 -21.833) 27.305 13.512 ( 0.155 -0.188 -25.102) 25.104 14.063 ( -9.299 3.932 -0.584) 10.114 14.525 ( -12.237 -5.458 1.336) 13.466 16.695 ( -14.841 0.205 34.844) 37.873 17.382 ( -18.105 13.389 32.764) 39.755 24.863 ( -1.674 -0.140 24.636) 24.693 29.804 ( 10.889 -0.095 5.702) 12.292 32.672 ( 16.438 0.772 -4.658) 17.103 37.516 ( -5.650 0.048 -20.283) 21.055 79.700 ( -2.144 0.396 20.642) 20.756 86.017 ( -15.660 -5.684 -8.177) 18.559 ======================= Grid point 271 (80/511) ======================= q-point: ( 0.38 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.203 ( 25.613 7.043 5.128) 27.055 4.566 ( 8.926 0.392 12.080) 15.025 5.355 ( 15.999 2.939 14.011) 21.469 6.210 ( -19.120 7.079 7.977) 21.893 6.901 ( -16.617 -4.752 11.807) 20.931 8.909 ( 20.505 0.628 11.387) 23.463 9.013 ( 8.002 -1.084 -2.215) 8.373 9.280 ( 20.741 -9.479 10.553) 25.128 10.241 ( 1.362 1.911 -3.545) 4.252 10.602 ( -7.958 1.714 -4.678) 9.389 11.384 ( 11.178 -3.514 -5.881) 13.110 13.127 ( -16.929 -1.034 -19.079) 25.527 13.447 ( -3.683 3.853 -13.135) 14.176 13.718 ( 12.633 -1.773 -20.950) 24.528 14.059 ( 10.088 4.871 -8.021) 13.777 14.453 ( 2.311 -6.286 -0.366) 6.707 16.413 ( -13.547 0.384 41.133) 43.308 16.971 ( -18.671 8.856 32.538) 38.545 24.837 ( -1.096 -0.190 23.979) 24.005 29.991 ( 8.237 -0.040 6.143) 10.275 32.950 ( 12.245 0.245 -4.084) 12.910 37.419 ( -4.177 0.103 -20.107) 20.537 79.669 ( -1.033 0.126 17.803) 17.833 85.772 ( -11.298 -1.633 -7.779) 13.814 ======================= Grid point 272 (81/511) ======================= q-point: ( 0.44 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.590 ( 11.510 4.632 9.652) 15.719 4.655 ( 10.229 6.723 11.187) 16.582 5.708 ( 4.936 0.635 12.758) 13.694 5.816 ( -3.884 -1.334 9.339) 10.202 6.574 ( -19.242 -3.147 13.203) 23.547 8.974 ( -0.114 1.667 -2.034) 2.633 9.286 ( 10.044 -0.772 9.882) 14.112 9.716 ( 16.136 -5.437 8.480) 19.022 10.263 ( 2.011 1.762 -4.863) 5.549 10.443 ( -7.295 0.395 -6.376) 9.697 11.692 ( 18.210 -5.655 -8.833) 21.014 12.698 ( -24.439 3.410 -15.865) 29.336 13.374 ( -1.899 2.718 -3.858) 5.087 13.871 ( 3.328 -1.300 -17.708) 18.064 14.282 ( 12.462 3.324 -18.363) 22.440 14.616 ( 8.558 -4.695 -10.187) 14.109 16.206 ( -6.373 0.882 48.293) 48.719 16.590 ( -16.667 3.958 36.573) 40.386 24.822 ( -0.545 -0.129 23.659) 23.666 30.115 ( 4.424 -0.010 6.457) 7.827 33.132 ( 6.526 0.034 -3.819) 7.561 37.357 ( -2.211 0.065 -20.004) 20.126 79.655 ( -0.401 0.018 16.439) 16.444 85.607 ( -5.914 -0.076 -7.566) 9.603 ======================= Grid point 273 (82/511) ======================= q-point: (-0.50 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 780 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.619 ( 0.000 -0.000 14.093) 14.093 4.849 ( 0.000 -0.000 9.594) 9.594 5.505 ( 0.000 -0.000 7.396) 7.396 6.181 ( -0.000 -0.000 12.252) 12.252 6.197 ( 0.000 0.000 14.929) 14.929 8.967 ( 0.000 -0.000 -2.334) 2.334 9.384 ( 0.000 -0.000 9.747) 9.747 9.887 ( 0.000 0.000 7.264) 7.264 10.295 ( 0.000 0.000 -5.015) 5.015 10.351 ( 0.000 -0.000 -6.968) 6.968 12.036 ( 0.000 -0.000 -14.010) 14.010 12.297 ( 0.000 -0.000 -9.369) 9.369 13.349 ( 0.000 -0.000 -2.822) 2.822 13.901 ( 0.000 0.000 -15.578) 15.578 14.412 ( 0.000 -0.000 -25.193) 25.193 14.723 ( 0.000 0.000 -13.165) 13.165 16.167 ( 0.000 -0.000 49.857) 49.857 16.376 ( -0.000 -0.000 41.771) 41.771 24.818 ( 0.000 -0.000 23.564) 23.564 30.158 ( 0.000 -0.000 6.571) 6.571 33.196 ( 0.000 -0.000 -3.743) 3.743 37.335 ( 0.000 -0.000 -19.971) 19.971 79.652 ( 0.000 -0.000 16.039) 16.039 85.550 ( 0.000 -0.000 -7.499) 7.499 ======================= Grid point 283 (83/511) ======================= q-point: ( 0.06 0.06 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 33.575 -0.000 17.272) 37.757 2.191 ( 34.919 -0.000 31.337) 46.919 3.575 ( 71.540 -0.000 30.679) 77.841 5.661 ( -5.310 0.000 18.164) 18.924 6.105 ( 36.437 -0.000 -3.747) 36.629 7.689 ( -2.235 0.000 13.044) 13.234 8.405 ( -6.525 0.000 -3.124) 7.234 9.253 ( -3.974 0.000 6.139) 7.313 10.043 ( 4.120 -0.000 1.543) 4.399 10.361 ( 14.753 -0.000 3.302) 15.118 11.050 ( 5.535 -0.000 -11.465) 12.732 11.979 ( 34.294 -0.000 -49.018) 59.824 12.813 ( 4.290 -0.000 -8.725) 9.723 13.648 ( -4.940 0.000 -11.892) 12.877 14.949 ( -10.969 0.000 -16.596) 19.893 15.503 ( -16.137 0.000 -8.115) 18.062 17.418 ( -8.187 0.000 27.782) 28.964 18.888 ( -33.394 0.000 60.033) 68.696 25.069 ( -8.010 0.000 34.037) 34.967 29.155 ( 8.710 -0.000 4.483) 9.796 31.664 ( 17.925 -0.000 -13.225) 22.276 37.849 ( -4.544 0.000 -20.874) 21.363 80.219 ( -24.791 0.000 56.387) 61.596 86.641 ( -10.270 0.000 -7.895) 12.954 ======================= Grid point 284 (84/511) ======================= q-point: ( 0.12 0.06 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 35.561 -1.850 10.081) 37.008 2.884 ( 35.557 -3.171 21.340) 41.590 4.930 ( 65.250 -0.101 18.453) 67.809 5.559 ( -2.799 3.455 18.769) 19.288 6.810 ( 32.438 -0.585 -7.960) 33.405 7.687 ( 3.986 -1.507 19.404) 19.866 8.246 ( -9.225 1.566 0.029) 9.357 9.184 ( -2.976 0.440 3.867) 4.899 10.121 ( 3.797 -0.371 1.473) 4.089 10.622 ( 11.234 0.032 3.597) 11.796 11.111 ( 1.796 -0.213 -3.690) 4.109 12.524 ( 23.972 0.060 -39.286) 46.022 12.928 ( 7.764 -0.101 -12.493) 14.709 13.557 ( -4.554 -1.656 -12.494) 13.400 14.690 ( -14.828 2.134 -12.995) 19.832 15.151 ( -20.247 -2.501 -5.198) 21.053 17.225 ( -11.407 0.677 28.689) 30.881 18.358 ( -22.080 5.848 45.316) 50.747 24.962 ( -3.871 0.163 28.674) 28.935 29.351 ( 11.242 -0.071 4.794) 12.222 32.004 ( 18.061 1.141 -8.478) 19.984 37.748 ( -5.864 -0.335 -20.668) 21.486 79.906 ( -9.902 0.933 37.194) 38.501 86.438 ( -13.347 -8.322 -7.908) 17.605 ======================= Grid point 285 (85/511) ======================= q-point: ( 0.19 0.06 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 34.449 -1.557 6.473) 35.086 3.573 ( 33.500 -3.711 14.554) 36.713 5.377 ( -4.005 4.773 13.124) 14.528 6.149 ( 48.360 4.838 16.087) 51.194 7.161 ( 2.549 -3.681 -3.771) 5.854 7.967 ( 17.140 4.587 16.336) 24.118 8.120 ( 6.014 -7.024 7.999) 12.226 9.134 ( -1.892 0.852 1.900) 2.813 10.188 ( 2.917 0.032 0.273) 2.930 10.765 ( 3.305 0.234 1.692) 3.721 11.143 ( 1.931 -0.037 -2.744) 3.355 12.953 ( 21.059 0.321 -29.622) 36.347 13.112 ( 10.596 -0.822 -15.334) 18.656 13.500 ( -2.111 -2.260 -15.936) 16.234 14.375 ( -16.139 2.184 -7.525) 17.940 14.777 ( -19.137 -3.167 -1.673) 19.470 16.978 ( -13.801 0.375 30.755) 33.712 17.925 ( -19.865 8.674 35.645) 41.718 24.902 ( -2.482 0.030 26.061) 26.179 29.578 ( 11.994 -0.087 5.199) 13.072 32.350 ( 18.042 0.974 -5.995) 19.037 37.631 ( -6.214 -0.150 -20.433) 21.358 79.770 ( -4.644 0.563 26.648) 27.055 86.207 ( -14.237 -7.111 -7.860) 17.749 ======================= Grid point 286 (86/511) ======================= q-point: ( 0.25 0.06 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.705 ( 31.686 1.041 5.160) 32.120 4.185 ( 27.033 -2.616 11.196) 29.376 5.289 ( -0.774 5.024 13.885) 14.787 6.601 ( 0.305 11.417 7.471) 13.648 7.095 ( -10.439 -5.824 6.679) 13.693 8.268 ( 29.405 -2.923 13.246) 32.383 8.614 ( 25.820 -6.325 10.644) 28.635 9.102 ( -0.768 0.877 1.353) 1.786 10.232 ( 1.901 0.806 -1.590) 2.606 10.749 ( -4.188 0.908 -1.772) 4.638 11.205 ( 4.741 -0.802 -3.965) 6.232 13.244 ( 2.994 -0.184 -14.638) 14.943 13.367 ( 17.544 -2.037 -23.004) 29.003 13.512 ( 2.720 0.150 -26.360) 26.500 14.095 ( -8.989 2.626 0.011) 9.365 14.480 ( -12.175 -3.580 1.693) 12.802 16.697 ( -14.931 0.135 34.705) 37.781 17.492 ( -20.524 8.840 31.351) 38.500 24.862 ( -1.714 -0.088 24.732) 24.791 29.803 ( 10.922 -0.064 5.656) 12.300 32.679 ( 16.083 0.541 -4.711) 16.768 37.516 ( -5.593 0.014 -20.220) 20.979 79.703 ( -2.332 0.278 20.946) 21.077 85.969 ( -12.978 -3.930 -7.752) 15.620 ======================= Grid point 287 (87/511) ======================= q-point: ( 0.31 0.06 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.266 ( 27.827 5.633 5.214) 28.867 4.569 ( 10.678 0.236 11.087) 15.395 5.381 ( 13.837 2.243 13.817) 19.683 6.274 ( -24.126 5.712 8.406) 26.179 6.857 ( -15.579 -4.023 10.349) 19.131 8.918 ( 25.743 1.299 12.432) 28.617 9.003 ( 8.892 -1.092 -1.909) 9.160 9.194 ( 17.284 -7.775 11.086) 21.957 10.257 ( 1.327 1.314 -3.491) 3.959 10.618 ( -8.228 1.345 -4.950) 9.696 11.353 ( 10.195 -2.685 -6.117) 12.189 13.118 ( -15.240 -0.775 -17.863) 23.494 13.485 ( -3.025 3.776 -13.221) 14.078 13.697 ( 12.180 -2.316 -21.587) 24.894 14.105 ( 10.294 4.406 -9.161) 14.467 14.395 ( 2.239 -5.313 1.090) 5.868 16.417 ( -13.330 0.297 41.079) 43.189 17.048 ( -21.290 6.680 31.299) 38.438 24.836 ( -1.084 -0.141 24.033) 24.057 29.990 ( 8.257 -0.032 6.095) 10.263 32.952 ( 12.075 0.196 -4.068) 12.744 37.420 ( -4.183 0.072 -20.065) 20.496 79.670 ( -1.117 0.103 17.902) 17.937 85.757 ( -10.009 -1.300 -7.640) 12.658 ======================= Grid point 288 (88/511) ======================= q-point: ( 0.38 0.06 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.623 ( 2.607 2.372 11.162) 11.705 4.736 ( 19.226 9.004 8.239) 22.773 5.701 ( -4.923 -2.015 12.456) 13.544 5.805 ( 1.633 -0.554 10.561) 10.701 6.546 ( -18.370 -2.608 12.386) 22.309 8.989 ( -0.938 1.261 -2.599) 3.038 9.282 ( 10.107 -0.123 10.747) 14.753 9.667 ( 19.875 -4.497 9.338) 22.415 10.277 ( 1.663 1.258 -4.839) 5.269 10.447 ( -8.197 0.441 -6.738) 10.620 11.640 ( 17.770 -4.716 -9.035) 20.485 12.726 ( -23.033 2.369 -15.305) 27.756 13.406 ( -2.602 3.715 -3.729) 5.871 13.849 ( 3.077 -3.091 -17.725) 18.254 14.320 ( 11.675 4.192 -19.337) 22.974 14.571 ( 10.037 -4.463 -9.076) 14.249 16.215 ( -6.068 0.972 48.299) 48.688 16.625 ( -19.146 3.089 35.603) 40.542 24.821 ( -0.492 -0.106 23.683) 23.689 30.115 ( 4.431 -0.012 6.426) 7.806 33.133 ( 6.480 0.033 -3.794) 7.509 37.357 ( -2.240 0.053 -19.982) 20.107 79.656 ( -0.426 0.018 16.453) 16.458 85.607 ( -5.627 -0.081 -7.542) 9.410 ======================= Grid point 289 (89/511) ======================= q-point: ( 0.44 0.06 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.616 ( -0.864 -0.608 13.709) 13.749 4.868 ( -8.766 3.578 10.005) 13.775 5.487 ( 4.108 -3.498 7.277) 9.059 6.173 ( -19.085 -1.159 12.831) 23.026 6.207 ( 20.599 1.486 14.501) 25.235 8.966 ( -0.937 -0.252 -2.399) 2.588 9.384 ( 0.534 0.078 9.690) 9.705 9.894 ( 2.629 1.358 7.306) 7.883 10.293 ( -2.370 -0.440 -5.237) 5.765 10.350 ( 1.229 -0.234 -6.713) 6.828 12.030 ( 11.713 -1.117 -13.831) 18.159 12.300 ( -10.701 0.631 -9.574) 14.372 13.356 ( -1.106 1.462 -2.781) 3.331 13.889 ( 0.094 -2.453 -15.451) 15.645 14.419 ( -1.720 1.242 -25.374) 25.463 14.722 ( 2.976 -0.079 -13.102) 13.436 16.174 ( -0.381 1.557 49.590) 49.616 16.369 ( -2.171 -1.470 41.994) 42.076 24.818 ( 0.072 0.004 23.563) 23.563 30.158 ( 0.002 -0.004 6.571) 6.571 33.196 ( -0.001 0.003 -3.743) 3.743 37.335 ( -0.034 -0.001 -19.971) 19.971 79.652 ( -0.001 0.000 16.039) 16.039 85.550 ( -0.096 -0.007 -7.499) 7.500 ======================= Grid point 290 (90/511) ======================= q-point: (-0.50 0.06 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.530 ( -21.480 -6.817 8.351) 24.034 4.610 ( -1.552 -2.912 13.844) 14.232 5.693 ( -8.049 -2.053 11.696) 14.345 5.827 ( 3.853 0.894 9.628) 10.409 6.606 ( 20.074 3.192 14.182) 24.785 8.957 ( -0.685 -1.838 -1.729) 2.615 9.296 ( -9.490 1.224 9.013) 13.145 9.773 ( -12.921 5.992 7.523) 16.107 10.243 ( -2.447 -2.267 -4.875) 5.907 10.439 ( 6.496 -0.297 -5.792) 8.708 11.749 ( -18.841 5.856 -8.540) 21.499 12.660 ( 26.106 -4.187 -16.557) 31.196 13.354 ( 1.076 -1.217 -3.947) 4.269 13.872 ( -3.311 -1.129 -17.361) 17.710 14.257 ( -13.388 -1.852 -17.959) 22.476 14.662 ( -6.981 4.581 -11.229) 13.993 16.199 ( 6.296 -0.499 48.165) 48.578 16.548 ( 14.306 -4.407 37.815) 40.670 24.824 ( 0.603 0.134 23.633) 23.641 30.115 ( -4.415 0.007 6.491) 7.850 33.132 ( -6.573 -0.030 -3.847) 7.616 37.356 ( 2.178 -0.068 -20.028) 20.146 79.655 ( 0.377 -0.014 16.425) 16.429 85.608 ( 6.211 0.055 -7.589) 9.807 ======================= Grid point 291 (91/511) ======================= q-point: (-0.44 0.06 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.131 ( -23.532 -7.304 5.130) 25.167 4.562 ( -6.605 -0.455 13.294) 14.852 5.324 ( -18.436 -3.216 14.052) 23.403 6.138 ( 14.180 -7.356 7.722) 17.743 6.948 ( 17.368 4.722 13.343) 22.405 8.903 ( -14.239 -0.653 8.725) 16.712 9.026 ( -10.607 1.627 -0.600) 10.748 9.376 ( -21.636 9.946 9.259) 25.549 10.220 ( -1.338 -2.425 -3.577) 4.524 10.585 ( 7.472 -1.793 -4.209) 8.761 11.420 ( -12.293 3.813 -5.613) 14.041 13.138 ( 19.496 1.031 -21.005) 28.677 13.412 ( 3.814 -3.196 -12.456) 13.413 13.730 ( -12.471 0.705 -20.171) 23.725 14.011 ( -10.650 -4.629 -7.404) 13.772 14.517 ( -2.052 6.619 -1.622) 7.117 16.409 ( 13.808 -0.404 41.180) 43.435 16.878 ( 15.516 -9.794 34.109) 38.731 24.839 ( 1.112 0.213 23.916) 23.943 29.991 ( -8.212 0.041 6.199) 10.289 32.947 ( -12.435 -0.250 -4.105) 13.097 37.418 ( 4.163 -0.122 -20.156) 20.581 79.668 ( 0.938 -0.124 17.688) 17.714 85.788 ( 12.769 1.686 -7.934) 15.127 ======================= Grid point 292 (92/511) ======================= q-point: (-0.38 0.06 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( -26.455 -1.877 3.083) 26.700 4.268 ( -22.456 5.780 13.192) 26.678 5.142 ( -3.581 -9.350 14.595) 17.699 6.325 ( -3.875 -15.070 6.877) 17.011 7.219 ( 12.543 6.188 10.981) 17.782 8.359 ( -30.397 5.959 12.767) 33.503 8.773 ( -23.986 8.584 6.434) 26.276 9.078 ( -2.022 -1.394 1.143) 2.709 10.208 ( -1.023 -1.531 -1.580) 2.426 10.718 ( 4.495 -2.258 -1.544) 5.262 11.233 ( -6.071 1.947 -3.444) 7.247 13.255 ( -7.347 0.991 -18.805) 20.214 13.412 ( -15.977 1.657 -22.812) 27.899 13.519 ( 3.682 1.606 -21.615) 21.985 14.019 ( 9.621 -4.930 -1.335) 10.893 14.586 ( 12.597 6.817 0.617) 14.336 16.693 ( 14.645 -0.250 35.059) 37.996 17.235 ( 14.958 -16.121 34.714) 41.094 24.865 ( 1.625 0.175 24.515) 24.569 29.805 ( -10.846 0.111 5.761) 12.281 32.664 ( -16.869 -0.856 -4.596) 17.505 37.515 ( 5.701 -0.096 -20.361) 21.144 79.696 ( 1.913 -0.438 20.256) 20.351 86.077 ( 18.990 6.409 -8.700) 21.849 ======================= Grid point 293 (93/511) ======================= q-point: (-0.31 0.06 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( -30.038 4.419 2.305) 30.449 3.711 ( -29.783 9.822 16.613) 35.489 5.204 ( 2.690 -12.160 13.944) 18.696 5.980 ( -40.531 -11.512 11.991) 43.807 7.283 ( -5.709 7.992 -0.406) 9.830 7.919 ( -12.141 0.156 17.810) 21.555 8.253 ( -19.298 5.549 8.257) 21.711 9.101 ( 1.856 -2.405 -0.364) 3.060 10.188 ( -1.666 0.034 0.555) 1.756 10.751 ( -2.695 -1.385 1.490) 3.377 11.150 ( -2.123 0.878 -2.055) 3.082 12.950 ( -20.272 0.194 -29.365) 35.683 13.132 ( -12.204 0.855 -16.456) 20.506 13.583 ( 4.739 5.918 -12.419) 14.550 14.300 ( 14.537 -5.004 -9.726) 18.193 14.891 ( 21.273 8.173 -2.595) 22.936 16.959 ( 12.132 -1.872 31.326) 33.645 17.622 ( 16.085 -20.215 38.640) 46.480 24.901 ( 2.230 -0.029 25.668) 25.764 29.582 ( -11.904 0.208 5.270) 13.019 32.318 ( -19.397 -2.028 -5.494) 20.262 37.635 ( 6.593 0.149 -20.653) 21.680 79.751 ( 3.669 -1.165 25.023) 25.317 86.446 ( 24.394 15.392 -10.146) 30.577 ======================= Grid point 294 (94/511) ======================= q-point: (-0.25 0.06 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -32.115 9.283 3.739) 33.638 3.055 ( -31.717 13.269 22.775) 41.240 4.929 ( -61.198 -0.612 17.594) 63.680 5.374 ( 1.705 -14.347 16.966) 22.284 6.843 ( -34.553 2.825 -6.436) 35.261 7.766 ( -1.474 5.951 20.900) 21.780 8.156 ( 3.437 -7.402 1.825) 8.362 9.159 ( 2.918 -1.992 1.373) 3.791 10.141 ( -2.758 1.460 1.907) 3.657 10.618 ( -11.108 -0.412 3.183) 11.562 11.124 ( -0.731 1.056 -2.134) 2.491 12.525 ( -23.769 0.424 -39.218) 45.861 12.931 ( -8.131 0.149 -12.628) 15.020 13.646 ( 5.075 6.926 -9.633) 12.905 14.590 ( 11.904 -7.035 -12.348) 18.538 15.276 ( 21.992 9.250 -6.133) 24.634 17.176 ( 8.544 -5.147 29.949) 31.567 18.063 ( 19.478 -20.979 45.589) 53.832 24.954 ( 3.244 -0.537 27.922) 28.115 29.355 ( -11.165 0.300 4.818) 12.164 31.948 ( -20.096 -3.907 -7.115) 21.674 37.762 ( 6.714 0.830 -21.072) 22.131 79.862 ( 7.222 -3.052 33.747) 34.646 86.854 ( 29.128 29.800 -12.904) 43.623 ======================= Grid point 295 (95/511) ======================= q-point: (-0.19 0.06 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -30.701 12.591 9.544) 34.528 2.367 ( -32.019 16.108 29.897) 46.674 3.630 ( -67.932 5.225 30.784) 74.764 5.517 ( 4.289 -13.524 16.558) 21.805 6.107 ( -37.351 0.098 -3.073) 37.477 7.766 ( 3.268 6.640 13.885) 15.734 8.293 ( 4.801 -10.680 -0.735) 11.733 9.231 ( 3.429 -1.972 4.058) 5.667 10.073 ( -3.047 2.525 2.064) 4.463 10.358 ( -14.836 -0.218 2.795) 15.099 11.088 ( -2.791 3.168 -7.229) 8.372 11.986 ( -33.431 1.127 -50.129) 60.265 12.813 ( -4.329 -0.014 -8.744) 9.757 13.708 ( 4.365 5.584 -9.214) 11.625 14.819 ( 7.298 -10.610 -10.295) 16.487 15.617 ( 17.373 9.373 -9.482) 21.899 17.342 ( 5.333 -8.408 30.420) 32.008 18.608 ( 27.065 -22.876 56.303) 66.527 25.043 ( 5.905 -2.113 32.525) 33.124 29.159 ( -8.666 0.348 4.474) 9.759 31.585 ( -20.301 -6.417 -9.889) 23.476 37.880 ( 6.096 2.283 -21.806) 22.757 80.098 ( 15.769 -9.401 49.691) 52.974 87.272 ( 35.267 52.706 -19.477) 66.340 ======================= Grid point 296 (96/511) ======================= q-point: (-0.12 0.06 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -22.485 14.361 22.694) 35.027 1.631 ( -38.495 13.232 31.305) 51.352 2.420 ( -45.590 14.726 58.403) 75.539 5.493 ( -23.059 -2.118 -2.149) 23.255 5.676 ( 4.315 -12.154 18.367) 22.443 7.799 ( 3.530 7.662 10.820) 13.720 8.434 ( 4.849 -10.357 -0.604) 11.451 9.300 ( 1.675 -3.220 6.766) 7.678 10.001 ( -2.872 5.653 -0.547) 6.365 10.095 ( -11.206 -0.184 1.117) 11.263 10.775 ( -41.867 16.674 -50.167) 67.436 11.307 ( -21.110 -0.473 -11.406) 23.999 12.755 ( -1.854 0.032 -6.023) 6.302 13.755 ( 2.579 3.186 -9.385) 10.241 14.980 ( 3.126 -14.703 -6.920) 16.548 15.829 ( 8.945 9.478 -11.384) 17.304 17.466 ( 2.851 -9.944 31.113) 32.788 19.401 ( 40.242 -39.013 61.711) 83.365 25.248 ( 14.070 -9.621 40.115) 43.586 29.026 ( -4.740 0.322 4.270) 6.388 31.208 ( -22.800 -7.133 -11.965) 26.718 37.968 ( 4.646 4.984 -23.583) 24.547 80.668 ( 34.751 -36.056 71.405) 87.214 87.699 ( 44.733 92.735 -41.963) 111.183 ======================= Grid point 297 (97/511) ======================= q-point: (-0.06 0.06 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -0.000 12.603 36.870) 38.964 1.007 ( -0.000 7.375 43.854) 44.469 1.901 ( -0.000 18.979 79.237) 81.478 5.266 ( 0.000 -1.688 -2.064) 2.666 5.819 ( 0.000 -13.562 16.337) 21.233 7.805 ( -0.000 9.278 7.989) 12.243 8.595 ( 0.000 -13.700 4.519) 14.426 9.262 ( 0.000 -0.118 5.619) 5.620 9.651 ( -0.000 47.664 -12.561) 49.291 9.977 ( 0.000 -0.074 -0.256) 0.267 10.081 ( -0.000 0.296 1.523) 1.551 11.182 ( 0.000 -0.654 2.513) 2.597 12.737 ( -0.000 0.044 -5.078) 5.078 13.770 ( -0.000 1.743 -10.459) 10.603 15.086 ( 0.000 -14.717 -9.874) 17.723 15.867 ( -0.000 8.859 -10.385) 13.650 17.542 ( 0.000 -7.938 29.847) 30.885 20.240 ( 0.000 -60.139 30.233) 67.311 25.607 ( 0.000 -28.497 32.440) 43.179 28.978 ( -0.000 0.231 4.212) 4.218 30.895 ( -0.000 0.058 -2.516) 2.517 37.988 ( -0.000 7.435 -25.013) 26.095 81.570 ( 0.000 -91.129 56.871) 107.419 87.735 ( -0.000 134.549 -74.651) 153.870 ======================= Grid point 300 (98/511) ======================= q-point: ( 0.12 0.12 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 35.008 -0.000 7.101) 35.721 3.555 ( 34.051 -0.000 14.200) 36.893 5.401 ( -4.119 0.000 13.009) 13.645 6.174 ( 49.718 -0.000 16.957) 52.530 7.142 ( 1.792 -0.000 -4.402) 4.752 8.002 ( 28.105 -0.000 18.299) 33.537 8.073 ( -6.075 0.000 5.680) 8.317 9.138 ( -1.900 0.000 2.222) 2.924 10.188 ( 3.091 -0.000 0.194) 3.097 10.766 ( 3.378 -0.000 1.747) 3.803 11.143 ( 1.913 -0.000 -2.823) 3.410 12.955 ( 21.267 -0.000 -29.686) 36.518 13.107 ( 10.213 -0.000 -15.140) 18.263 13.489 ( -1.683 0.000 -16.442) 16.528 14.386 ( -16.439 0.000 -7.114) 17.912 14.761 ( -18.784 0.000 -1.696) 18.860 16.980 ( -13.940 0.000 30.703) 33.719 17.968 ( -20.542 0.000 35.215) 40.769 24.902 ( -2.521 0.000 26.119) 26.241 29.578 ( 12.006 -0.000 5.189) 13.080 32.355 ( 17.823 -0.000 -6.076) 18.830 37.630 ( -6.143 0.000 -20.397) 21.302 79.773 ( -4.803 0.000 26.891) 27.317 86.172 ( -12.646 0.000 -7.503) 14.704 ======================= Grid point 301 (99/511) ======================= q-point: ( 0.19 0.12 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( 32.874 0.364 5.645) 33.357 4.168 ( 28.005 -0.882 10.721) 30.000 5.323 ( -1.730 1.762 13.749) 13.969 6.684 ( -0.728 4.830 8.561) 9.856 7.050 ( -9.646 -2.796 4.601) 11.047 8.249 ( 28.520 -0.970 13.270) 31.471 8.570 ( 26.636 -2.378 11.669) 29.177 9.108 ( -1.129 0.306 1.522) 1.920 10.238 ( 2.067 0.278 -1.613) 2.637 10.755 ( -4.028 0.280 -1.753) 4.402 11.200 ( 4.340 -0.248 -4.085) 5.965 13.243 ( 1.171 -0.020 -13.112) 13.164 13.352 ( 19.090 -0.771 -24.347) 30.948 13.513 ( 3.859 0.079 -26.720) 26.997 14.113 ( -8.778 0.941 0.359) 8.836 14.456 ( -12.229 -1.262 1.813) 12.427 16.698 ( -14.965 0.047 34.636) 37.731 17.552 ( -21.837 3.088 30.609) 37.727 24.862 ( -1.736 -0.030 24.785) 24.846 29.802 ( 10.939 -0.023 5.632) 12.304 32.683 ( 15.882 0.195 -4.742) 16.576 37.516 ( -5.557 0.002 -20.184) 20.935 79.705 ( -2.439 0.100 21.114) 21.254 85.942 ( -11.475 -1.406 -7.513) 13.788 ======================= Grid point 302 (100/511) ======================= q-point: ( 0.25 0.12 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.310 ( 29.636 3.163 5.335) 30.278 4.571 ( 11.670 0.081 10.421) 15.645 5.398 ( 12.316 1.216 13.611) 18.396 6.319 ( -28.132 3.262 8.868) 29.676 6.825 ( -14.461 -2.387 9.224) 17.318 8.936 ( 28.780 2.386 11.596) 31.120 8.989 ( 15.546 -2.010 1.363) 15.735 9.132 ( 9.553 -4.471 9.865) 14.442 10.267 ( 1.291 0.673 -3.444) 3.739 10.628 ( -8.327 0.736 -5.070) 9.776 11.332 ( 9.504 -1.451 -6.283) 11.485 13.112 ( -14.298 -0.404 -17.213) 22.380 13.518 ( -2.459 2.680 -12.718) 13.227 13.675 ( 11.739 -1.936 -22.409) 25.371 14.142 ( 11.069 2.990 -10.834) 15.775 14.351 ( 1.688 -3.433 2.914) 4.809 16.419 ( -13.186 0.161 41.039) 43.106 17.099 ( -23.019 3.586 30.507) 38.385 24.835 ( -1.076 -0.075 24.069) 24.093 29.990 ( 8.270 -0.018 6.063) 10.254 32.954 ( 11.958 0.110 -4.058) 12.628 37.421 ( -4.184 0.036 -20.036) 20.468 79.671 ( -1.175 0.059 17.969) 18.008 85.747 ( -9.125 -0.722 -7.543) 11.861 ======================= Grid point 303 (101/511) ======================= q-point: ( 0.31 0.12 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.641 ( -0.054 1.406 11.386) 11.472 4.820 ( 23.565 7.530 6.672) 25.623 5.672 ( -16.087 -3.407 11.553) 20.097 5.804 ( 7.789 0.221 12.423) 14.664 6.524 ( -17.646 -1.703 11.826) 21.311 8.999 ( -1.586 0.751 -3.204) 3.653 9.283 ( 9.540 0.309 11.387) 14.858 9.629 ( 23.505 -3.096 10.032) 25.744 10.287 ( 1.460 0.784 -4.817) 5.094 10.451 ( -9.021 0.339 -6.900) 11.362 11.601 ( 17.486 -3.136 -9.170) 19.992 12.745 ( -22.030 1.351 -14.911) 26.636 13.443 ( -3.096 3.530 -3.466) 5.836 13.816 ( 2.716 -3.324 -17.729) 18.241 14.362 ( 10.965 4.088 -21.233) 24.245 14.530 ( 11.362 -3.916 -7.308) 14.066 16.224 ( -5.618 0.743 48.251) 48.583 16.649 ( -21.215 1.951 34.948) 40.930 24.820 ( -0.451 -0.069 23.702) 23.706 30.114 ( 4.436 -0.009 6.402) 7.789 33.133 ( 6.444 0.024 -3.775) 7.468 37.358 ( -2.261 0.035 -19.965) 20.092 79.656 ( -0.446 0.014 16.464) 16.470 85.606 ( -5.399 -0.063 -7.523) 9.260 ======================= Grid point 304 (102/511) ======================= q-point: ( 0.38 0.12 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.609 ( -1.975 -0.672 12.984) 13.150 4.915 ( -17.765 5.613 10.872) 21.571 5.441 ( 9.588 -5.656 6.930) 13.112 6.163 ( -19.953 -0.885 12.997) 23.829 6.221 ( 22.713 1.318 14.681) 27.077 8.963 ( -1.731 -0.356 -2.555) 3.107 9.385 ( 0.973 0.109 9.555) 9.605 9.911 ( 5.103 1.990 7.425) 9.227 10.288 ( -4.646 -0.532 -5.804) 7.453 10.346 ( 2.295 -0.493 -6.089) 6.526 12.016 ( 20.083 -1.494 -13.462) 24.223 12.308 ( -18.202 0.810 -10.006) 20.787 13.376 ( -2.138 2.261 -2.652) 4.089 13.858 ( 0.243 -3.534 -15.196) 15.604 14.434 ( -3.301 1.631 -25.799) 26.061 14.721 ( 5.631 -0.118 -12.940) 14.113 16.196 ( -0.174 2.803 48.870) 48.951 16.348 ( -4.535 -2.679 42.607) 42.932 24.818 ( 0.132 0.006 23.563) 23.563 30.158 ( 0.004 -0.006 6.571) 6.571 33.196 ( -0.002 0.004 -3.744) 3.744 37.335 ( -0.063 -0.001 -19.970) 19.971 79.652 ( -0.001 0.000 16.039) 16.039 85.550 ( -0.177 -0.010 -7.498) 7.500 ======================= Grid point 305 (103/511) ======================= q-point: (-0.56 0.12 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.468 ( -23.693 -5.539 8.677) 25.833 4.588 ( -1.348 -1.678 14.677) 14.834 5.671 ( -7.818 -2.366 10.264) 13.118 5.832 ( 1.688 0.215 10.466) 10.603 6.636 ( 20.740 2.720 15.163) 25.835 8.939 ( -1.314 -1.685 -1.713) 2.739 9.309 ( -8.772 1.270 8.308) 12.148 9.832 ( -10.509 5.953 6.564) 13.746 10.219 ( -2.908 -2.585 -4.885) 6.246 10.436 ( 5.931 -0.260 -5.062) 7.801 11.804 ( -19.694 5.239 -8.140) 21.944 12.618 ( 27.875 -4.267 -17.339) 33.104 13.349 ( 0.270 0.137 -4.031) 4.042 13.851 ( -3.101 -2.825 -16.698) 17.217 14.245 ( -14.259 -0.583 -17.945) 22.928 14.705 ( -5.486 3.939 -12.290) 14.024 16.196 ( 5.755 0.018 47.868) 48.213 16.505 ( 12.498 -4.238 39.222) 41.383 24.825 ( 0.658 0.118 23.609) 23.618 30.115 ( -4.407 0.003 6.522) 7.871 33.132 ( -6.615 -0.022 -3.872) 7.665 37.355 ( 2.146 -0.059 -20.050) 20.164 79.655 ( 0.359 -0.009 16.412) 16.416 85.609 ( 6.471 0.030 -7.609) 9.989 ======================= Grid point 306 (104/511) ======================= q-point: (-0.50 0.12 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( -21.879 -6.499 5.212) 23.412 4.558 ( -4.073 -0.408 14.598) 15.161 5.293 ( -20.820 -3.031 13.871) 25.201 6.069 ( 9.950 -6.603 7.655) 14.185 6.992 ( 17.874 4.095 14.777) 23.550 8.895 ( -8.984 -0.936 5.593) 10.624 9.045 ( -13.490 2.058 1.525) 13.731 9.472 ( -21.672 9.284 7.756) 24.820 10.194 ( -1.178 -2.716 -3.558) 4.628 10.568 ( 6.833 -1.615 -3.568) 7.875 11.457 ( -13.396 3.535 -5.347) 14.850 13.146 ( 22.827 0.641 -23.575) 32.822 13.386 ( 3.167 -1.898 -11.279) 11.868 13.731 ( -11.336 -0.662 -18.831) 21.990 13.970 ( -12.146 -3.638 -7.473) 14.717 14.580 ( -1.605 6.210 -2.809) 7.002 16.405 ( 14.079 -0.349 41.195) 43.536 16.783 ( 12.261 -9.306 35.848) 39.012 24.842 ( 1.128 0.203 23.855) 23.883 29.992 ( -8.187 0.036 6.256) 10.303 32.945 ( -12.615 -0.217 -4.127) 13.275 37.417 ( 4.141 -0.123 -20.203) 20.624 79.667 ( 0.848 -0.103 17.576) 17.596 85.804 ( 14.186 1.483 -8.081) 16.394 ======================= Grid point 307 (105/511) ======================= q-point: (-0.44 0.12 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( -23.100 -1.902 1.773) 23.246 4.332 ( -19.043 7.111 14.460) 24.946 5.045 ( -6.706 -10.281 15.097) 19.457 6.181 ( -5.934 -13.965 7.179) 16.786 7.277 ( 13.369 5.435 12.707) 19.229 8.420 ( -29.796 6.346 12.316) 32.859 8.851 ( -21.652 6.983 3.210) 22.976 9.066 ( -6.360 -0.899 1.870) 6.690 10.193 ( -0.271 -1.576 -1.652) 2.299 10.694 ( 4.419 -2.560 -1.123) 5.229 11.253 ( -6.645 2.145 -3.134) 7.654 13.267 ( -8.896 1.416 -20.631) 22.512 13.419 ( -14.933 -0.190 -25.735) 29.754 13.546 ( 6.368 3.834 -16.305) 17.920 13.966 ( 9.912 -5.701 -2.208) 11.646 14.657 ( 13.357 7.468 -0.523) 15.312 16.690 ( 14.206 -0.272 35.388) 38.134 17.072 ( 11.620 -16.618 36.992) 42.185 24.867 ( 1.575 0.186 24.388) 24.439 29.806 ( -10.799 0.109 5.825) 12.270 32.656 ( -17.297 -0.800 -4.539) 17.900 37.514 ( 5.730 -0.136 -20.440) 21.228 79.691 ( 1.680 -0.408 19.852) 19.927 86.140 ( 22.383 6.102 -9.226) 24.967 ======================= Grid point 308 (106/511) ======================= q-point: (-0.38 0.12 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( -26.390 5.403 -0.474) 26.942 3.817 ( -27.402 11.764 17.636) 34.646 5.074 ( 1.451 -14.047 14.678) 20.368 5.859 ( -36.457 -12.831 10.528) 40.058 7.365 ( -5.932 8.551 1.480) 10.512 7.932 ( -13.182 2.239 18.086) 22.492 8.298 ( -24.853 3.574 8.414) 26.481 9.075 ( 1.928 -2.920 -1.935) 3.999 10.189 ( -0.743 0.216 0.454) 0.898 10.733 ( -2.247 -2.076 1.581) 3.443 11.162 ( -2.283 1.421 -1.488) 3.073 12.954 ( -19.977 0.700 -29.134) 35.332 13.138 ( -12.735 0.411 -17.176) 21.386 13.647 ( 6.265 6.909 -10.034) 13.699 14.247 ( 13.699 -5.755 -10.878) 18.415 14.981 ( 22.766 9.968 -4.264) 25.216 16.931 ( 9.426 -4.187 32.420) 34.021 17.418 ( 15.140 -20.372 40.434) 47.741 24.901 ( 2.076 -0.004 25.412) 25.497 29.584 ( -11.841 0.223 5.320) 12.983 32.298 ( -20.174 -1.982 -5.205) 20.928 37.636 ( 6.747 0.020 -20.778) 21.846 79.740 ( 3.113 -1.138 23.970) 24.198 86.600 ( 30.505 15.446 -11.522) 36.082 ======================= Grid point 309 (107/511) ======================= q-point: (-0.31 0.12 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -28.608 12.481 -0.630) 31.218 3.200 ( -29.082 15.763 23.093) 40.343 4.916 ( -57.725 -2.140 16.980) 60.209 5.218 ( 1.064 -17.007 15.909) 23.312 6.878 ( -36.398 4.354 -5.301) 37.039 7.828 ( -0.299 6.551 21.973) 22.930 8.071 ( -1.072 -9.836 3.445) 10.477 9.137 ( 3.014 -2.370 -0.609) 3.883 10.157 ( -2.064 1.745 1.827) 3.263 10.612 ( -10.820 -0.840 3.038) 11.270 11.136 ( -0.232 1.345 -0.922) 1.647 12.533 ( -23.410 1.079 -38.736) 45.273 12.932 ( -8.356 -0.047 -12.813) 15.297 13.722 ( 5.331 8.218 -7.407) 12.281 14.517 ( 10.345 -7.677 -12.311) 17.819 15.377 ( 22.599 11.236 -6.692) 26.110 17.102 ( 4.976 -10.178 32.003) 33.949 17.857 ( 20.038 -19.803 44.353) 52.544 24.949 ( 2.836 -0.515 27.366) 27.518 29.358 ( -11.101 0.351 4.839) 12.115 31.910 ( -21.254 -3.877 -6.259) 22.493 37.769 ( 7.091 0.522 -21.288) 22.444 79.832 ( 5.680 -2.962 31.265) 31.915 87.156 ( 38.763 30.623 -16.065) 51.946 ======================= Grid point 310 (108/511) ======================= q-point: (-0.25 0.12 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -27.037 18.552 3.252) 32.951 2.544 ( -30.348 19.298 27.456) 45.246 3.688 ( -63.490 6.280 30.765) 70.830 5.364 ( 3.602 -17.204 15.444) 23.398 6.108 ( -38.730 0.330 -2.691) 38.825 7.831 ( 3.195 5.755 13.486) 15.007 8.173 ( 3.527 -13.069 3.365) 13.949 9.210 ( 3.220 -2.194 2.026) 4.391 10.099 ( -2.487 2.685 2.089) 4.214 10.356 ( -14.817 -0.294 2.461) 15.023 11.119 ( -1.018 2.913 -3.565) 4.715 12.004 ( -31.816 2.693 -50.311) 59.588 12.812 ( -4.333 -0.128 -8.795) 9.805 13.770 ( 3.469 6.809 -6.138) 9.802 14.712 ( 5.071 -10.915 -7.007) 13.927 15.715 ( 17.321 10.304 -8.022) 21.692 17.232 ( 2.381 -14.105 32.753) 35.740 18.389 ( 25.024 -20.408 49.787) 59.342 25.023 ( 4.464 -2.023 31.153) 31.536 29.163 ( -8.619 0.450 4.465) 9.718 31.522 ( -21.385 -6.103 -7.631) 23.512 37.899 ( 6.793 1.554 -22.248) 23.313 80.009 ( 10.531 -8.424 43.901) 45.926 87.800 ( 49.491 52.310 -26.728) 76.812 ======================= Grid point 311 (109/511) ======================= q-point: (-0.19 0.12 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -19.128 23.450 13.458) 33.119 1.774 ( -42.014 15.243 25.796) 51.603 2.602 ( -35.658 21.708 56.783) 70.477 5.460 ( -18.320 -5.600 0.630) 19.167 5.538 ( -2.877 -14.298 14.258) 20.396 7.873 ( 3.952 6.464 10.703) 13.113 8.311 ( 3.920 -14.033 2.860) 14.849 9.271 ( 1.148 -2.616 4.988) 5.749 10.048 ( -0.876 3.651 1.033) 3.895 10.095 ( -10.671 0.155 0.752) 10.698 10.951 ( -25.126 17.184 -41.348) 51.344 11.314 ( -24.678 2.921 -19.910) 31.843 12.755 ( -1.811 0.022 -6.026) 6.292 13.790 ( 1.485 3.827 -4.857) 6.359 14.830 ( 1.081 -14.918 2.212) 15.120 15.924 ( 9.012 9.437 -9.531) 16.159 17.338 ( 1.090 -15.842 34.220) 37.725 19.033 ( 27.621 -32.995 55.264) 70.041 25.159 ( 7.680 -7.841 37.653) 39.220 29.030 ( -4.721 0.478 4.245) 6.367 31.143 ( -20.526 -5.748 -7.387) 22.560 38.010 ( 5.514 3.102 -24.581) 25.382 80.355 ( 16.920 -26.368 62.333) 69.764 88.560 ( 60.429 77.708 -58.576) 114.548 ======================= Grid point 312 (110/511) ======================= q-point: (-0.12 0.12 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -0.000 23.396 25.639) 34.709 1.108 ( -0.000 12.610 39.520) 41.483 2.147 ( -0.000 29.667 70.585) 76.566 5.242 ( 0.000 -3.178 -1.989) 3.749 5.658 ( 0.000 -18.281 17.555) 25.345 7.893 ( -0.000 7.528 8.387) 11.270 8.448 ( 0.000 -15.834 5.432) 16.740 9.260 ( 0.000 -0.217 5.600) 5.605 9.976 ( 0.000 -0.119 -0.248) 0.275 10.085 ( -0.000 0.525 1.518) 1.606 10.167 ( -0.000 52.163 -42.180) 67.083 11.176 ( 0.000 -0.289 2.587) 2.603 12.738 ( -0.000 0.081 -5.073) 5.073 13.791 ( -0.000 2.392 -6.026) 6.483 14.919 ( 0.000 -17.682 4.443) 18.231 15.964 ( -0.000 9.831 -11.012) 14.762 17.427 ( 0.000 -15.001 34.351) 37.484 19.616 ( 0.000 -58.429 52.147) 78.315 25.351 ( 0.000 -21.090 41.181) 46.267 28.981 ( -0.000 0.426 4.188) 4.209 30.896 ( -0.000 0.107 -2.498) 2.501 38.053 ( -0.000 4.954 -27.515) 27.958 80.810 ( 0.000 -59.230 72.945) 93.964 88.925 ( -0.000 98.361 -108.238) 146.254 ======================= Grid point 317 (111/511) ======================= q-point: ( 0.19 0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.326 ( 30.359 -0.000 5.395) 30.835 4.571 ( 11.963 -0.000 10.182) 15.709 5.404 ( 11.763 -0.000 13.524) 17.924 6.335 ( -29.728 0.000 9.082) 31.085 6.813 ( -13.928 0.000 8.782) 16.466 8.961 ( 38.756 -0.000 13.104) 40.912 8.966 ( 11.922 -0.000 1.838) 12.063 9.110 ( 3.924 -0.000 8.302) 9.183 10.270 ( 1.277 -0.000 -3.425) 3.656 10.632 ( -8.344 0.000 -5.101) 9.780 11.325 ( 9.253 -0.000 -6.343) 11.218 13.110 ( -13.995 0.000 -17.009) 22.027 13.533 ( -2.362 0.000 -12.191) 12.418 13.664 ( 11.682 -0.000 -23.024) 25.818 14.158 ( 11.690 -0.000 -12.002) 16.754 14.333 ( 1.167 -0.000 4.128) 4.290 16.420 ( -13.136 0.000 41.024) 43.076 17.117 ( -23.622 0.000 30.234) 38.368 24.834 ( -1.074 0.000 24.082) 24.106 29.990 ( 8.275 -0.000 6.051) 10.251 32.954 ( 11.916 -0.000 -4.054) 12.587 37.421 ( -4.184 0.000 -20.026) 20.458 79.671 ( -1.196 0.000 17.993) 18.033 85.743 ( -8.810 0.000 -7.508) 11.575 ======================= Grid point 318 (112/511) ======================= q-point: ( 0.25 0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.650 ( -0.957 0.483 11.384) 11.434 4.874 ( 26.538 3.025 5.771) 27.326 5.645 ( -22.491 -1.680 11.283) 25.219 5.807 ( 10.300 0.163 13.391) 16.895 6.513 ( -17.240 -0.589 11.547) 20.758 9.004 ( -1.924 0.245 -3.581) 4.073 9.286 ( 8.827 0.206 11.690) 14.650 9.608 ( 25.910 -1.130 10.446) 27.959 10.293 ( 1.391 0.273 -4.806) 5.011 10.453 ( -9.532 0.124 -6.944) 11.794 11.580 ( 17.346 -1.101 -9.241) 19.685 12.753 ( -21.514 0.435 -14.706) 26.064 13.470 ( -3.367 1.554 -3.114) 4.843 13.790 ( 2.495 -1.512 -17.892) 18.129 14.395 ( 10.092 2.228 -24.858) 26.921 14.498 ( 12.594 -2.113 -3.818) 13.329 16.229 ( -5.301 0.277 48.210) 48.502 16.662 ( -22.396 0.666 34.620) 41.238 24.820 ( -0.430 -0.024 23.712) 23.716 30.114 ( 4.439 -0.004 6.389) 7.780 33.133 ( 6.424 0.009 -3.765) 7.446 37.358 ( -2.271 0.012 -19.956) 20.084 79.656 ( -0.458 0.005 16.469) 16.476 85.606 ( -5.272 -0.024 -7.512) 9.177 ======================= Grid point 319 (113/511) ======================= q-point: ( 0.31 0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.603 ( -2.901 -0.387 12.437) 12.776 4.969 ( -27.366 4.809 11.784) 30.181 5.385 ( 17.066 -4.908 6.378) 18.869 6.156 ( -19.787 -0.465 13.052) 23.708 6.232 ( 23.346 0.753 14.953) 27.735 8.960 ( -2.261 -0.252 -2.710) 3.538 9.386 ( 1.252 0.077 9.426) 9.509 9.929 ( 7.046 1.464 7.580) 10.452 10.283 ( -6.685 -0.311 -6.485) 9.319 10.341 ( 3.237 -0.472 -5.389) 6.304 12.004 ( 24.581 -1.007 -13.161) 27.901 12.314 ( -22.110 0.525 -10.370) 24.427 13.397 ( -2.956 1.784 -2.455) 4.237 13.826 ( 0.456 -2.610 -15.036) 15.268 14.448 ( -4.496 1.082 -26.213) 26.617 14.720 ( 7.544 -0.088 -12.764) 14.827 16.227 ( 1.804 3.267 48.011) 48.156 16.319 ( -7.947 -3.179 43.358) 44.195 24.818 ( 0.173 0.004 23.562) 23.563 30.158 ( 0.005 -0.004 6.571) 6.571 33.196 ( -0.003 0.003 -3.744) 3.744 37.335 ( -0.082 -0.001 -19.970) 19.971 79.652 ( -0.002 0.000 16.039) 16.039 85.550 ( -0.231 -0.007 -7.497) 7.500 ======================= Grid point 320 (114/511) ======================= q-point: (-0.62 0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.424 ( -24.720 -3.412 8.966) 26.517 4.575 ( -2.271 -0.942 15.242) 15.439 5.649 ( -6.776 -1.856 9.075) 11.476 5.833 ( -0.327 -0.102 11.250) 11.255 6.658 ( 21.189 1.817 15.959) 26.589 8.925 ( -1.728 -1.191 -1.852) 2.799 9.320 ( -8.155 0.930 7.832) 11.345 9.886 ( -8.962 4.813 5.798) 11.709 10.194 ( -3.322 -2.371 -4.946) 6.413 10.434 ( 5.631 -0.236 -4.361) 7.126 11.849 ( -20.680 3.725 -7.683) 22.374 12.580 ( 29.528 -3.291 -18.101) 34.791 13.355 ( -0.393 0.768 -4.084) 4.174 13.822 ( -2.837 -2.839 -16.046) 16.540 14.243 ( -14.888 -0.002 -18.062) 23.407 14.738 ( -4.302 2.691 -13.211) 14.152 16.199 ( 4.901 0.364 47.432) 47.686 16.467 ( 11.478 -3.218 40.569) 42.284 24.826 ( 0.700 0.081 23.590) 23.601 30.115 ( -4.400 0.000 6.546) 7.887 33.132 ( -6.646 -0.013 -3.892) 7.701 37.355 ( 2.120 -0.041 -20.066) 20.178 79.655 ( 0.347 -0.004 16.402) 16.406 85.609 ( 6.662 0.011 -7.623) 10.124 ======================= Grid point 321 (115/511) ======================= q-point: (-0.56 0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.006 ( -20.753 -4.830 5.332) 21.964 4.554 ( -1.767 -0.286 15.799) 15.900 5.266 ( -22.849 -2.378 13.521) 26.656 6.011 ( 6.784 -4.955 7.717) 11.407 7.027 ( 18.203 3.007 15.956) 24.392 8.886 ( -5.734 -0.965 3.124) 6.601 9.065 ( -15.162 1.901 3.097) 15.591 9.555 ( -21.693 7.405 6.349) 23.785 10.168 ( -0.824 -2.533 -3.476) 4.379 10.554 ( 6.197 -1.234 -2.875) 6.942 11.488 ( -14.345 2.718 -5.116) 15.471 13.150 ( 26.106 0.065 -26.132) 36.938 13.375 ( 2.241 -0.438 -10.136) 10.390 13.718 ( -9.593 -1.702 -16.818) 19.436 13.941 ( -14.199 -2.196 -8.304) 16.595 14.636 ( -1.095 4.914 -3.893) 6.364 16.403 ( 14.330 -0.231 41.156) 43.580 16.700 ( 9.384 -7.350 37.520) 39.367 24.843 ( 1.144 0.159 23.804) 23.832 29.992 ( -8.165 0.026 6.303) 10.315 32.943 ( -12.761 -0.158 -4.148) 13.419 37.416 ( 4.117 -0.100 -20.243) 20.657 79.666 ( 0.776 -0.072 17.482) 17.499 85.817 ( 15.347 1.087 -8.199) 17.434 ======================= Grid point 322 (116/511) ======================= q-point: (-0.50 0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.639 ( -19.890 -1.631 0.521) 19.963 4.407 ( -14.867 8.132 15.769) 23.148 4.942 ( -10.470 -10.507 15.518) 21.467 6.055 ( -7.947 -11.316 7.546) 15.752 7.325 ( 13.994 4.265 14.126) 20.336 8.480 ( -28.732 5.668 11.798) 31.573 8.907 ( -15.192 4.170 -0.831) 15.775 9.062 ( -15.405 0.221 3.651) 15.833 10.178 ( 0.642 -1.332 -1.782) 2.316 10.669 ( 4.202 -2.384 -0.519) 4.859 11.273 ( -7.062 1.922 -2.856) 7.856 13.282 ( -10.051 1.708 -22.103) 24.341 13.411 ( -12.909 -1.341 -27.719) 30.607 13.592 ( 7.506 5.350 -12.123) 15.229 13.907 ( 10.140 -6.270 -3.225) 12.350 14.729 ( 14.491 7.054 -2.024) 16.243 16.687 ( 13.119 -0.296 35.983) 38.301 16.916 ( 8.954 -14.608 39.185) 42.767 24.868 ( 1.533 0.166 24.274) 24.323 29.807 ( -10.755 0.092 5.884) 12.260 32.649 ( -17.660 -0.637 -4.495) 18.234 37.512 ( 5.735 -0.145 -20.508) 21.295 79.688 ( 1.480 -0.324 19.491) 19.549 86.195 ( 25.334 4.941 -9.676) 27.566 ======================= Grid point 323 (117/511) ======================= q-point: (-0.44 0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( -22.169 5.708 -3.258) 23.123 3.939 ( -25.402 12.694 18.249) 33.755 4.932 ( 0.251 -14.500 15.796) 21.444 5.733 ( -33.446 -12.514 9.776) 37.024 7.448 ( -4.328 8.111 3.423) 9.811 7.960 ( -15.850 3.256 17.194) 23.611 8.323 ( -30.033 1.646 9.067) 31.415 9.045 ( 2.185 -3.069 -3.503) 5.144 10.192 ( 0.228 0.455 0.087) 0.516 10.711 ( -1.849 -2.413 1.907) 3.588 11.177 ( -2.433 1.637 -0.903) 3.069 12.963 ( -19.753 1.056 -28.768) 34.912 13.140 ( -12.995 -0.016 -17.914) 22.131 13.717 ( 7.606 7.267 -7.618) 12.988 14.188 ( 12.981 -6.176 -11.988) 18.718 15.085 ( 24.614 10.938 -7.034) 27.838 16.867 ( 3.835 -9.365 35.937) 37.335 17.241 ( 16.947 -14.564 40.564) 46.312 24.901 ( 1.936 0.020 25.172) 25.246 29.586 ( -11.778 0.205 5.370) 12.946 32.280 ( -20.829 -1.657 -4.960) 21.475 37.635 ( 6.824 -0.098 -20.883) 21.970 79.730 ( 2.641 -0.953 22.985) 23.155 86.742 ( 35.865 13.244 -12.724) 40.294 ======================= Grid point 324 (118/511) ======================= q-point: (-0.38 0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( -24.151 14.583 -4.790) 28.616 3.359 ( -26.819 16.175 22.703) 38.682 4.884 ( -54.370 -4.414 16.444) 56.974 5.047 ( 0.905 -17.318 15.401) 23.193 6.930 ( -38.521 6.294 -4.287) 39.267 7.890 ( -1.635 5.389 21.715) 22.433 7.966 ( -3.758 -10.987 6.553) 13.334 9.114 ( 3.306 -2.343 -2.567) 4.797 10.175 ( -1.441 1.906 1.368) 2.753 10.602 ( -10.354 -1.281 3.072) 10.876 11.149 ( -0.086 1.399 0.230) 1.421 12.546 ( -22.839 1.655 -37.803) 44.198 12.930 ( -8.545 -0.275 -13.084) 15.629 13.805 ( 5.407 8.592 -5.112) 11.367 14.441 ( 9.209 -7.730 -12.562) 17.388 15.496 ( 22.866 12.924 -7.670) 27.362 16.969 ( 0.725 -16.842 35.681) 39.462 17.691 ( 22.228 -13.472 41.568) 49.026 24.944 ( 2.482 -0.415 26.834) 26.951 29.361 ( -11.033 0.348 4.862) 12.062 31.874 ( -22.117 -3.251 -5.549) 23.033 37.772 ( 7.264 0.130 -21.436) 22.634 79.805 ( 4.475 -2.455 28.918) 29.365 87.441 ( 46.447 26.591 -18.644) 56.674 ======================= Grid point 325 (119/511) ======================= q-point: (-0.31 0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -22.433 22.959 -2.285) 32.181 2.737 ( -29.821 19.428 23.973) 42.912 3.747 ( -57.645 5.347 30.379) 65.379 5.186 ( 2.953 -18.538 14.884) 23.957 6.115 ( -40.644 1.231 -2.375) 40.732 7.851 ( 0.089 -4.069 7.666) 8.679 8.064 ( 4.526 -6.575 13.532) 15.711 9.189 ( 3.303 -1.907 0.013) 3.814 10.125 ( -2.260 2.550 1.720) 3.817 10.352 ( -14.675 -0.435 2.275) 14.857 11.142 ( -0.279 1.810 -0.727) 1.971 12.039 ( -29.249 4.206 -49.108) 57.314 12.810 ( -4.293 -0.280 -8.891) 9.877 13.838 ( 1.977 6.827 -2.056) 7.399 14.610 ( 3.903 -9.632 -5.934) 11.968 15.818 ( 16.286 10.694 -4.291) 19.950 17.068 ( 0.384 -18.765 32.909) 37.885 18.221 ( 25.327 -13.552 42.230) 51.074 25.005 ( 3.395 -1.599 29.850) 30.085 29.168 ( -8.564 0.482 4.457) 9.666 31.468 ( -21.723 -4.767 -5.993) 23.033 37.910 ( 6.964 0.521 -22.403) 23.466 79.936 ( 7.120 -6.365 38.556) 39.722 88.271 ( 57.227 42.694 -31.136) 77.892 ======================= Grid point 326 (120/511) ======================= q-point: (-0.25 0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -15.311 29.784 5.431) 33.926 1.922 ( -45.108 14.727 21.639) 52.153 2.832 ( -25.772 24.075 52.604) 63.332 5.330 ( 1.435 -18.542 13.955) 23.250 5.456 ( -25.015 -4.005 -0.325) 25.336 7.901 ( 2.441 -2.905 6.198) 7.267 8.183 ( 3.821 -9.738 11.760) 15.739 9.249 ( 1.514 -1.722 3.605) 4.272 10.072 ( -4.262 1.256 1.305) 4.631 10.101 ( -7.208 1.149 0.597) 7.324 11.074 ( -9.981 6.996 -20.937) 24.226 11.386 ( -27.849 11.853 -37.070) 47.856 12.755 ( -1.725 -0.016 -6.038) 6.279 13.825 ( -0.283 3.042 2.277) 3.810 14.699 ( 0.471 -11.401 5.128) 12.510 16.011 ( 8.263 8.118 -2.885) 11.937 17.166 ( 0.273 -18.405 31.661) 36.623 18.774 ( 22.007 -19.971 42.869) 52.162 25.096 ( 4.337 -5.140 34.692) 35.338 29.035 ( -4.693 0.560 4.214) 6.332 31.097 ( -17.993 -3.678 -4.994) 19.032 38.028 ( 5.334 0.785 -24.365) 24.954 80.148 ( 8.775 -16.377 51.993) 55.213 89.198 ( 59.632 52.462 -60.297) 99.720 ======================= Grid point 327 (121/511) ======================= q-point: (-0.19 0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -0.000 15.054 34.656) 37.785 1.363 ( -0.000 31.434 14.298) 34.533 2.460 ( -0.000 32.811 61.380) 69.600 5.205 ( 0.000 -4.275 -1.874) 4.668 5.467 ( 0.000 -20.318 16.266) 26.027 7.940 ( -0.000 0.993 7.192) 7.260 8.294 ( 0.000 -14.486 10.000) 17.603 9.258 ( 0.000 -0.281 5.573) 5.580 9.975 ( 0.000 -0.124 -0.242) 0.272 10.091 ( -0.000 0.651 1.515) 1.649 10.621 ( -0.000 38.499 -54.335) 66.592 11.185 ( -0.000 2.830 1.968) 3.447 12.739 ( -0.000 0.105 -5.065) 5.066 13.812 ( -0.000 1.530 1.848) 2.399 14.761 ( 0.000 -13.770 11.064) 17.665 16.052 ( -0.000 7.998 -5.466) 9.687 17.259 ( 0.000 -18.294 33.793) 38.427 19.160 ( 0.000 -34.488 45.701) 57.254 25.195 ( 0.000 -11.357 38.876) 40.501 28.986 ( -0.000 0.557 4.151) 4.189 30.897 ( -0.000 0.140 -2.472) 2.476 38.083 ( -0.000 1.281 -26.647) 26.678 80.379 ( 0.000 -31.332 63.081) 70.434 89.665 ( -0.000 55.253 -97.257) 111.856 ======================= Grid point 334 (122/511) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.602 ( -3.251 0.000 12.244) 12.669 4.995 ( -32.967 0.000 12.286) 35.182 5.358 ( 21.956 -0.000 5.995) 22.760 6.154 ( -19.687 0.000 13.067) 23.629 6.236 ( 23.520 -0.000 15.068) 27.933 8.958 ( -2.447 0.000 -2.774) 3.699 9.386 ( 1.348 -0.000 9.374) 9.470 9.937 ( 7.819 -0.000 7.658) 10.945 10.282 ( -7.621 0.000 -6.829) 10.233 10.338 ( 3.696 -0.000 -5.053) 6.261 11.998 ( 25.954 -0.000 -13.053) 29.051 12.317 ( -23.274 0.000 -10.504) 25.535 13.406 ( -3.292 0.000 -2.342) 4.040 13.812 ( 0.576 -0.000 -15.008) 15.019 14.453 ( -4.954 0.000 -26.382) 26.843 14.720 ( 8.255 -0.000 -12.686) 15.136 16.249 ( 6.963 -0.000 47.845) 48.349 16.297 ( -13.609 0.000 43.479) 45.559 24.818 ( 0.187 -0.000 23.562) 23.563 30.158 ( 0.006 -0.000 6.571) 6.571 33.196 ( -0.003 0.000 -3.744) 3.744 37.335 ( -0.089 0.000 -19.970) 19.971 79.652 ( -0.002 0.000 16.039) 16.039 85.550 ( -0.250 0.000 -7.496) 7.501 ======================= Grid point 335 (123/511) ======================= q-point: (-0.69 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.402 ( -25.278 -1.141 9.091) 26.887 4.569 ( -2.903 -0.303 15.575) 15.846 5.636 ( -6.015 -0.704 8.419) 10.371 5.832 ( -1.445 -0.076 11.699) 11.788 6.670 ( 21.414 0.637 16.404) 26.983 8.917 ( -1.929 -0.431 -1.977) 2.796 9.326 ( -7.807 0.338 7.596) 10.897 9.921 ( -8.227 1.974 5.436) 10.056 10.176 ( -3.573 -1.068 -5.075) 6.297 10.432 ( 5.527 -0.105 -3.920) 6.777 11.875 ( -21.423 1.367 -7.347) 22.689 12.557 ( 30.618 -1.254 -18.609) 35.852 13.361 ( -0.784 0.422 -4.096) 4.191 13.801 ( -2.645 -1.188 -15.677) 15.942 14.244 ( -15.209 0.056 -18.143) 23.675 14.756 ( -3.643 0.958 -13.753) 14.260 16.202 ( 4.191 0.227 47.062) 47.249 16.445 ( 11.142 -1.237 41.456) 42.945 24.827 ( 0.723 0.029 23.580) 23.591 30.115 ( -4.396 -0.000 6.559) 7.896 33.132 ( -6.662 -0.004 -3.902) 7.721 37.355 ( 2.106 -0.014 -20.075) 20.185 79.655 ( 0.341 -0.001 16.397) 16.400 85.609 ( 6.762 0.002 -7.630) 10.195 ======================= Grid point 336 (124/511) ======================= q-point: (-0.62 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.970 ( -20.122 -2.565 5.434) 21.000 4.552 ( -0.138 -0.141 16.664) 16.665 5.248 ( -24.230 -1.314 13.173) 27.611 5.973 ( 4.845 -2.650 7.816) 9.570 7.050 ( 18.393 1.591 16.736) 24.919 8.878 ( -4.131 -0.608 1.655) 4.491 9.080 ( -15.827 1.132 3.935) 16.348 9.613 ( -21.920 4.215 5.312) 22.945 10.147 ( -0.362 -1.612 -3.364) 3.748 10.544 ( 5.737 -0.679 -2.326) 6.227 11.509 ( -14.997 1.477 -4.958) 15.864 13.149 ( 28.256 -0.185 -27.799) 39.638 13.375 ( 1.769 0.280 -9.618) 9.783 13.701 ( -8.245 -1.493 -14.892) 17.087 13.926 ( -15.812 -0.931 -9.287) 18.361 14.674 ( -0.676 2.742 -4.699) 5.482 16.401 ( 14.530 -0.097 41.074) 43.569 16.643 ( 7.364 -4.089 38.794) 39.698 24.845 ( 1.154 0.087 23.770) 23.798 29.992 ( -8.150 0.013 6.335) 10.322 32.942 ( -12.855 -0.083 -4.162) 13.512 37.415 ( 4.098 -0.056 -20.269) 20.679 79.665 ( 0.729 -0.036 17.420) 17.435 85.825 ( 16.103 0.571 -8.274) 18.113 ======================= Grid point 337 (125/511) ======================= q-point: (-0.56 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.625 ( -17.357 -1.099 -0.472) 17.398 4.490 ( -9.383 8.433 17.105) 21.255 4.841 ( -15.513 -9.859 15.574) 24.092 5.963 ( -9.621 -7.383 7.840) 14.441 7.359 ( 14.419 2.732 15.165) 21.103 8.528 ( -27.642 3.923 11.289) 30.115 8.934 ( -5.942 1.634 -4.183) 7.448 9.069 ( -27.093 0.936 5.318) 27.626 10.167 ( 1.523 -0.858 -1.935) 2.607 10.648 ( 3.950 -1.704 0.097) 4.303 11.290 ( -7.326 1.320 -2.649) 7.902 13.299 ( -10.978 1.686 -23.043) 25.580 13.395 ( -11.244 -1.611 -28.742) 30.905 13.649 ( 8.310 6.164 -9.142) 13.807 13.844 ( 10.282 -6.621 -4.473) 13.022 14.791 ( 15.745 5.210 -3.597) 16.970 16.684 ( 9.869 -0.438 37.500) 38.779 16.793 ( 9.043 -9.939 40.193) 42.380 24.870 ( 1.502 0.115 24.190) 24.237 29.808 ( -10.722 0.061 5.929) 12.252 32.644 ( -17.918 -0.405 -4.466) 18.471 37.511 ( 5.726 -0.111 -20.558) 21.341 79.685 ( 1.335 -0.205 19.221) 19.268 86.235 ( 27.481 3.187 -9.999) 29.417 ======================= Grid point 338 (126/511) ======================= q-point: (-0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( -17.975 4.967 -5.730) 19.509 4.062 ( -24.535 12.176 18.187) 32.879 4.794 ( -0.160 -13.288 17.460) 21.941 5.620 ( -31.791 -10.246 9.500) 34.726 7.521 ( -1.087 6.524 5.432) 8.558 7.992 ( -19.828 3.063 14.962) 25.028 8.332 ( -34.382 0.309 10.446) 35.935 9.016 ( 2.666 -2.665 -4.872) 6.160 10.197 ( 1.097 0.581 -0.465) 1.326 10.688 ( -1.578 -2.163 2.406) 3.600 11.193 ( -2.547 1.404 -0.412) 2.937 12.974 ( -19.610 1.092 -28.312) 34.458 13.138 ( -13.047 -0.276 -18.599) 22.720 13.788 ( 8.640 6.962 -5.133) 12.226 14.127 ( 12.428 -6.154 -13.361) 19.257 15.191 ( 26.913 10.249 -10.926) 30.802 16.749 ( -2.558 -13.427 42.759) 44.890 17.140 ( 19.571 -6.437 38.181) 43.385 24.901 ( 1.827 0.029 24.980) 25.047 29.588 ( -11.725 0.156 5.412) 12.915 32.266 ( -21.305 -1.166 -4.782) 21.866 37.634 ( 6.840 -0.143 -20.960) 22.048 79.721 ( 2.293 -0.674 22.195) 22.323 86.855 ( 39.894 9.522 -13.620) 43.217 ======================= Grid point 339 (127/511) ======================= q-point: (-0.44 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( -19.111 14.784 -8.481) 25.607 3.510 ( -25.463 14.128 21.566) 36.236 4.827 ( -49.967 -7.499 15.871) 52.961 4.889 ( -0.624 -13.936 16.137) 21.331 7.002 ( -40.710 8.056 -3.766) 41.670 7.839 ( -13.498 -12.256 5.789) 19.129 7.951 ( 4.205 4.633 25.223) 25.988 9.092 ( 3.760 -1.953 -4.177) 5.950 10.193 ( -0.950 1.850 0.631) 2.174 10.588 ( -9.810 -1.484 3.295) 10.455 11.162 ( -0.278 1.192 1.117) 1.657 12.564 ( -22.161 1.845 -36.567) 42.798 12.927 ( -8.687 -0.429 -13.413) 15.986 13.888 ( 5.209 8.155 -2.873) 10.094 14.366 ( 8.637 -7.317 -13.201) 17.390 15.630 ( 23.160 14.227 -9.955) 28.946 16.780 ( -2.233 -20.884 40.443) 45.571 17.592 ( 23.850 -7.072 38.730) 46.031 24.941 ( 2.213 -0.289 26.394) 26.488 29.365 ( -10.970 0.293 4.885) 12.012 31.846 ( -22.664 -2.363 -5.040) 23.337 37.772 ( 7.274 -0.138 -21.520) 22.716 79.784 ( 3.644 -1.780 26.993) 27.296 87.671 ( 51.673 19.908 -20.425) 59.022 ======================= Grid point 340 (128/511) ======================= q-point: (-0.38 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -17.440 25.148 -6.572) 31.301 2.918 ( -30.468 16.955 19.980) 40.187 3.785 ( -51.397 1.873 29.202) 59.143 5.008 ( 2.384 -17.087 15.575) 23.242 6.134 ( -42.921 2.698 -2.129) 43.059 7.741 ( -4.034 -15.698 4.039) 16.704 8.057 ( 6.208 2.932 21.427) 22.500 9.173 ( 3.600 -1.382 -1.581) 4.168 10.149 ( -2.286 2.300 1.117) 3.430 10.347 ( -14.427 -0.598 2.262) 14.615 11.154 ( -0.514 0.695 0.703) 1.114 12.084 ( -26.315 4.824 -46.600) 53.734 12.807 ( -4.208 -0.408 -9.032) 9.972 13.901 ( -0.167 5.857 3.027) 6.596 14.525 ( 4.071 -7.547 -7.582) 11.447 15.926 ( 14.281 11.220 1.743) 18.245 16.873 ( 0.805 -20.410 28.723) 35.245 18.119 ( 26.176 -7.590 36.666) 45.686 24.991 ( 2.699 -1.124 28.796) 28.944 29.172 ( -8.509 0.443 4.449) 9.612 31.429 ( -21.615 -3.302 -4.960) 22.422 37.911 ( 6.805 -0.220 -22.379) 23.392 79.883 ( 5.125 -4.374 34.290) 34.946 88.633 ( 60.004 30.726 -33.072) 75.089 ======================= Grid point 341 (129/511) ======================= q-point: (-0.31 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -13.616 31.927 0.946) 34.722 2.062 ( -44.910 14.243 18.091) 50.468 3.058 ( -17.672 20.855 46.069) 53.568 5.141 ( 1.868 -19.210 14.797) 24.320 5.425 ( -27.957 -2.601 -1.420) 28.113 7.794 ( 0.114 -17.255 1.912) 17.361 8.147 ( 4.223 1.186 20.532) 20.995 9.236 ( 1.994 -1.020 2.706) 3.513 10.078 ( -8.158 0.283 0.978) 8.221 10.114 ( -3.790 1.336 0.749) 4.088 11.105 ( -6.157 0.587 -10.347) 12.055 11.524 ( -23.149 14.823 -43.251) 51.247 12.755 ( -1.589 -0.066 -6.062) 6.267 13.848 ( -2.527 1.470 11.584) 11.947 14.609 ( 1.252 -6.935 1.206) 7.150 16.084 ( 6.850 6.835 8.209) 12.690 16.988 ( 1.154 -17.266 21.190) 27.358 18.628 ( 20.108 -10.556 33.037) 40.090 25.056 ( 2.756 -3.174 32.299) 32.571 29.041 ( -4.661 0.559 4.180) 6.286 31.069 ( -16.015 -2.185 -3.865) 16.619 38.028 ( 4.816 -0.649 -23.794) 24.285 80.021 ( 5.191 -9.879 43.748) 45.149 89.612 ( 53.557 32.831 -56.194) 84.285 ======================= Grid point 342 (130/511) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -0.000 15.054 30.420) 33.941 1.697 ( -0.000 35.830 6.406) 36.398 2.775 ( -0.000 30.526 52.009) 60.305 5.159 ( 0.000 -4.800 -1.734) 5.104 5.264 ( 0.000 -20.780 15.041) 25.652 7.880 ( 0.000 -13.838 1.845) 13.961 8.200 ( 0.000 -3.537 19.244) 19.567 9.255 ( 0.000 -0.302 5.541) 5.549 9.973 ( 0.000 -0.102 -0.239) 0.259 10.098 ( -0.000 0.668 1.516) 1.657 10.900 ( -0.000 17.594 -46.277) 49.508 11.255 ( -0.000 12.481 -7.875) 14.758 12.740 ( -0.000 0.114 -5.056) 5.057 13.818 ( 0.000 -0.176 12.637) 12.639 14.654 ( 0.000 -8.016 7.790) 11.178 16.121 ( -0.000 5.984 5.283) 7.982 17.082 ( 0.000 -17.062 23.920) 29.382 18.912 ( 0.000 -17.429 33.700) 37.940 25.112 ( 0.000 -6.095 35.309) 35.831 28.992 ( -0.000 0.604 4.108) 4.153 30.899 ( -0.000 0.151 -2.440) 2.445 38.084 ( 0.000 -0.829 -25.236) 25.250 80.149 ( 0.000 -16.929 51.696) 54.397 90.073 ( -0.000 30.342 -79.935) 85.500 ======================= Grid point 351 (131/511) ======================= q-point: (-0.69 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( -19.922 0.000 5.473) 20.660 4.551 ( 0.453 -0.000 16.981) 16.987 5.241 ( -24.723 0.000 13.028) 27.945 5.960 ( 4.194 -0.000 7.861) 8.909 7.058 ( 18.456 -0.000 17.010) 25.099 8.874 ( -3.659 0.000 1.173) 3.842 9.086 ( -15.982 0.000 4.188) 16.522 9.634 ( -22.082 0.000 4.923) 22.624 10.138 ( -0.123 0.000 -3.308) 3.311 10.541 ( 5.571 -0.000 -2.115) 5.958 11.516 ( -15.231 0.000 -4.900) 16.000 13.147 ( 28.952 -0.000 -28.333) 40.509 13.377 ( 1.698 -0.000 -9.548) 9.697 13.693 ( -7.797 0.000 -14.105) 16.116 13.922 ( -16.378 0.000 -9.692) 19.031 14.688 ( -0.512 0.000 -5.002) 5.029 16.401 ( 14.615 -0.000 41.026) 43.551 16.622 ( 6.625 -0.000 39.285) 39.839 24.845 ( 1.158 -0.000 23.758) 23.786 29.992 ( -8.144 0.000 6.346) 10.325 32.942 ( -12.887 0.000 -4.167) 13.544 37.415 ( 4.091 -0.000 -20.278) 20.686 79.665 ( 0.713 -0.000 17.398) 17.413 85.828 ( 16.364 -0.000 -8.300) 18.349 ======================= Grid point 353 (132/511) ======================= q-point: (-0.62 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.618 ( -15.957 -0.387 -1.023) 15.994 4.564 ( -0.856 5.481 18.663) 19.470 4.757 ( -23.746 -5.951 14.797) 28.605 5.913 ( -10.593 -2.567 7.997) 13.519 7.378 ( 14.637 0.942 15.723) 21.502 8.555 ( -26.960 1.399 10.941) 29.129 8.943 ( -0.308 0.376 -5.549) 5.570 9.077 ( -34.216 0.462 5.812) 34.709 10.162 ( 2.076 -0.289 -2.042) 2.927 10.637 ( 3.785 -0.621 0.493) 3.867 11.298 ( -7.454 0.468 -2.538) 7.889 13.313 ( -11.763 0.859 -23.262) 26.081 13.382 ( -10.105 -0.853 -29.438) 31.136 13.712 ( 8.498 6.561 -6.417) 12.508 13.778 ( 10.645 -6.704 -6.410) 14.120 14.827 ( 16.615 1.946 -4.669) 17.368 16.678 ( 1.207 -0.647 41.595) 41.618 16.729 ( 15.837 -3.098 37.673) 40.983 24.871 ( 1.486 0.041 24.145) 24.191 29.808 ( -10.704 0.021 5.953) 12.248 32.641 ( -18.051 -0.139 -4.453) 18.592 37.510 ( 5.716 -0.042 -20.584) 21.363 79.684 ( 1.260 -0.070 19.077) 19.119 86.256 ( 28.604 1.098 -10.166) 30.376 ======================= Grid point 354 (133/511) ======================= q-point: (-0.56 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( -14.736 2.959 -7.503) 16.799 4.169 ( -25.642 8.841 17.280) 32.160 4.680 ( 1.163 -9.308 19.606) 21.735 5.539 ( -31.245 -5.885 9.423) 33.161 7.572 ( 2.446 3.706 7.181) 8.443 8.017 ( -23.889 1.826 12.126) 26.852 8.332 ( -37.263 -0.165 12.244) 39.223 8.995 ( 3.205 -1.588 -5.847) 6.854 10.202 ( 1.703 0.423 -0.985) 2.012 10.670 ( -1.441 -1.292 2.878) 3.468 11.204 ( -2.616 0.800 -0.091) 2.738 12.983 ( -19.554 0.713 -27.909) 34.085 13.135 ( -12.990 -0.261 -19.115) 23.112 13.850 ( 9.275 5.370 -2.038) 10.909 14.071 ( 12.092 -4.949 -15.721) 20.442 15.277 ( 29.331 6.664 -15.175) 33.690 16.630 ( -6.639 -9.595 49.033) 50.402 17.101 ( 20.337 -2.154 36.441) 41.788 24.902 ( 1.759 0.020 24.857) 24.919 29.589 ( -11.690 0.084 5.441) 12.894 32.257 ( -21.587 -0.597 -4.677) 22.096 37.633 ( 6.828 -0.100 -21.005) 22.087 79.716 ( 2.084 -0.346 21.687) 21.790 86.927 ( 42.351 4.944 -14.162) 44.929 ======================= Grid point 355 (134/511) ======================= q-point: (-0.50 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -14.082 11.894 -11.595) 21.776 3.628 ( -25.420 9.366 19.935) 33.634 4.741 ( -24.013 -8.355 16.724) 30.432 4.785 ( -24.540 -8.034 16.779) 30.794 7.084 ( -42.932 8.247 -4.121) 43.910 7.720 ( -15.480 -11.153 7.677) 20.565 7.991 ( 3.544 3.163 25.968) 26.398 9.076 ( 4.230 -1.289 -5.275) 6.883 10.210 ( -0.614 1.415 -0.149) 1.550 10.574 ( -9.341 -1.232 3.627) 10.096 11.172 ( -0.609 0.785 1.673) 1.946 12.581 ( -21.556 1.468 -35.370) 41.448 12.922 ( -8.779 -0.406 -13.736) 16.306 13.962 ( 4.648 6.729 -0.466) 8.192 14.299 ( 8.711 -6.149 -14.547) 18.036 15.771 ( 24.436 14.072 -15.627) 32.239 16.576 ( -4.545 -19.576 47.356) 51.444 17.544 ( 24.407 -3.187 37.069) 44.497 24.939 ( 2.036 -0.166 26.086) 26.166 29.367 ( -10.922 0.195 4.902) 11.973 31.828 ( -22.964 -1.409 -4.723) 23.488 37.770 ( 7.211 -0.199 -21.559) 22.734 79.770 ( 3.138 -1.065 25.646) 25.859 87.829 ( 54.745 12.136 -21.477) 60.046 ======================= Grid point 356 (135/511) ======================= q-point: (-0.44 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -12.295 24.331 -9.965) 29.026 3.063 ( -31.468 12.059 16.188) 37.385 3.778 ( -46.854 -3.329 27.186) 54.273 4.860 ( 2.079 -12.602 17.964) 22.042 6.168 ( -45.270 3.869 -2.037) 45.481 7.582 ( -6.129 -15.597 6.166) 17.857 8.090 ( 6.163 3.319 22.951) 23.995 9.162 ( 3.947 -0.848 -2.617) 4.812 10.169 ( -2.421 1.861 0.473) 3.090 10.341 ( -14.151 -0.656 2.389) 14.366 11.158 ( -1.140 0.046 1.085) 1.574 12.129 ( -23.789 4.177 -43.709) 49.938 12.803 ( -4.096 -0.430 -9.197) 10.077 13.951 ( -2.739 4.209 8.772) 10.108 14.462 ( 5.346 -5.107 -11.461) 13.639 16.040 ( 11.258 12.083 10.638) 19.645 16.675 ( 3.508 -19.486 19.993) 28.137 18.064 ( 26.755 -3.838 33.561) 43.092 24.982 ( 2.279 -0.700 28.048) 28.149 29.176 ( -8.462 0.337 4.442) 9.563 31.403 ( -21.373 -2.025 -4.361) 21.908 37.907 ( 6.546 -0.491 -22.297) 23.243 79.849 ( 4.017 -2.701 31.260) 31.633 88.878 ( 60.318 19.398 -33.612) 71.723 ======================= Grid point 357 (136/511) ======================= q-point: (-0.38 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -47.157 10.709 16.557) 51.114 2.321 ( -8.874 33.426 -1.940) 34.638 3.222 ( -11.647 11.521 37.440) 40.867 4.966 ( 1.539 -15.731 16.339) 22.733 5.406 ( -30.210 -1.225 -1.263) 30.261 7.605 ( -1.254 -19.662 4.046) 20.113 8.173 ( 3.885 3.147 22.382) 22.934 9.228 ( 2.317 -0.554 2.217) 3.254 10.080 ( -9.636 0.126 0.791) 9.669 10.126 ( -2.781 0.978 0.774) 3.048 11.102 ( -5.571 -0.747 -8.229) 9.966 11.659 ( -18.250 12.015 -41.163) 46.603 12.754 ( -1.418 -0.103 -6.098) 6.262 13.855 ( -4.671 0.143 21.050) 21.563 14.559 ( 2.602 -3.343 -6.474) 7.737 16.146 ( 4.907 5.791 23.645) 24.834 16.833 ( 3.293 -14.077 4.652) 15.187 18.553 ( 19.489 -5.261 27.292) 33.947 25.031 ( 1.993 -1.885 30.646) 30.768 29.046 ( -4.631 0.473 4.149) 6.236 31.052 ( -14.687 -1.237 -3.322) 15.109 38.019 ( 4.324 -1.156 -23.280) 23.706 79.946 ( 3.536 -5.818 37.986) 38.591 89.865 ( 47.665 19.471 -51.478) 72.809 ======================= Grid point 358 (137/511) ======================= q-point: (-0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -0.000 13.115 27.166) 30.166 2.058 ( -0.000 37.146 2.613) 37.238 3.042 ( -0.000 22.689 41.504) 47.301 5.068 ( 0.000 -18.362 15.414) 23.974 5.113 ( 0.000 -4.614 -1.589) 4.880 7.699 ( 0.000 -20.969 2.500) 21.117 8.201 ( -0.000 2.179 22.356) 22.462 9.252 ( 0.000 -0.277 5.510) 5.517 9.973 ( 0.000 -0.070 -0.239) 0.249 10.104 ( -0.000 0.588 1.521) 1.631 10.994 ( -0.000 4.106 -27.845) 28.146 11.410 ( -0.000 16.767 -23.960) 29.244 12.741 ( -0.000 0.105 -5.046) 5.047 13.810 ( 0.000 -1.431 23.689) 23.732 14.599 ( 0.000 -3.461 -1.137) 3.644 16.171 ( -0.000 4.408 20.146) 20.622 16.931 ( 0.000 -13.604 7.456) 15.513 18.790 ( 0.000 -8.488 25.680) 27.047 25.067 ( 0.000 -3.379 32.688) 32.862 28.998 ( -0.000 0.558 4.065) 4.104 30.900 ( -0.000 0.139 -2.408) 2.412 38.071 ( 0.000 -1.628 -24.152) 24.207 80.023 ( 0.000 -9.474 43.350) 44.374 90.299 ( -0.000 16.816 -66.586) 68.676 ======================= Grid point 369 (138/511) ======================= q-point: (-0.62 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( -13.490 0.000 -8.160) 15.766 4.217 ( -27.317 0.000 16.403) 31.864 4.629 ( 2.903 -0.000 20.969) 21.169 5.509 ( -31.185 0.000 9.405) 32.573 7.591 ( 4.038 -0.000 7.920) 8.890 8.026 ( -25.713 0.000 10.723) 27.859 8.331 ( -38.249 0.000 13.159) 40.449 8.987 ( 3.452 -0.000 -6.209) 7.104 10.205 ( 1.921 -0.000 -1.201) 2.266 10.664 ( -1.403 0.000 3.075) 3.380 11.208 ( -2.640 0.000 0.020) 2.640 12.987 ( -19.548 0.000 -27.743) 33.938 13.134 ( -12.948 0.000 -19.313) 23.251 13.880 ( 9.443 -0.000 0.672) 9.467 14.043 ( 12.024 -0.000 -18.177) 21.794 15.311 ( 30.509 -0.000 -17.259) 35.052 16.580 ( -8.201 0.000 51.686) 52.332 17.091 ( 20.423 -0.000 35.962) 41.356 24.902 ( 1.736 -0.000 24.815) 24.875 29.589 ( -11.678 0.000 5.450) 12.887 32.254 ( -21.680 0.000 -4.642) 22.172 37.632 ( 6.820 -0.000 -21.020) 22.098 79.715 ( 2.014 -0.000 21.513) 21.607 86.951 ( 43.172 -0.000 -14.341) 45.492 ======================= Grid point 371 (139/511) ======================= q-point: (-0.56 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( -10.468 4.783 -13.667) 17.867 3.689 ( -26.272 3.082 18.649) 32.365 4.689 ( -5.409 -1.904 20.329) 21.123 4.722 ( -42.069 -4.277 14.885) 44.830 7.150 ( -45.099 4.125 -5.288) 45.594 7.635 ( -15.890 -5.131 9.585) 19.254 8.012 ( 3.432 1.096 26.373) 26.617 9.067 ( 4.529 -0.450 -5.822) 7.390 10.220 ( -0.442 0.541 -0.666) 0.965 10.565 ( -9.074 -0.486 3.886) 9.884 11.177 ( -0.847 0.272 1.928) 2.123 12.591 ( -21.203 0.563 -34.627) 40.607 12.919 ( -8.823 -0.169 -13.944) 16.502 14.013 ( 3.808 3.070 2.196) 5.362 14.252 ( 9.319 -2.866 -16.690) 19.329 15.887 ( 27.927 7.753 -26.941) 39.571 16.422 ( -8.325 -9.810 59.071) 60.456 17.524 ( 24.532 -0.907 36.399) 43.904 24.938 ( 1.948 -0.054 25.929) 26.002 29.368 ( -10.897 0.068 4.911) 11.952 31.819 ( -23.094 -0.466 -4.574) 23.547 37.769 ( 7.156 -0.088 -21.573) 22.730 79.763 ( 2.901 -0.354 24.956) 25.127 87.909 ( 56.133 4.060 -21.952) 60.409 ======================= Grid point 372 (140/511) ======================= q-point: (-0.50 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -6.839 18.139 -13.714) 23.746 3.147 ( -31.695 4.943 13.949) 34.980 3.728 ( -46.621 -5.766 25.762) 53.577 4.767 ( 2.191 -6.314 21.036) 22.072 6.204 ( -47.202 3.176 -2.156) 47.358 7.453 ( -7.253 -9.768 8.210) 14.677 8.116 ( 5.997 1.842 23.507) 24.330 9.156 ( 4.209 -0.393 -3.160) 5.277 10.184 ( -2.539 1.090 -0.045) 2.763 10.335 ( -13.951 -0.462 2.576) 14.195 11.157 ( -1.668 -0.115 1.035) 1.966 12.162 ( -22.162 2.412 -41.490) 47.100 12.799 ( -3.996 -0.285 -9.339) 10.162 13.983 ( -5.029 2.181 13.821) 14.868 14.425 ( 6.916 -2.557 -15.719) 17.363 16.163 ( 6.464 12.857 26.047) 29.758 16.495 ( 8.456 -16.874 4.235) 19.343 18.038 ( 27.051 -1.586 32.113) 42.018 24.977 ( 2.055 -0.333 27.607) 27.685 29.179 ( -8.430 0.182 4.438) 9.529 31.388 ( -21.177 -0.954 -4.055) 21.583 37.902 ( 6.339 -0.357 -22.227) 23.116 79.829 ( 3.462 -1.285 29.462) 29.693 89.018 ( 59.918 9.304 -33.619) 69.332 ======================= Grid point 373 (141/511) ======================= q-point: (-0.44 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -48.052 6.736 15.872) 51.052 2.644 ( -5.270 31.607 -3.224) 32.205 3.268 ( -8.214 -2.596 28.010) 29.305 4.842 ( 1.639 -9.201 19.510) 21.633 5.401 ( -32.399 0.111 -0.803) 32.410 7.429 ( -2.173 -15.156 6.602) 16.673 8.201 ( 3.580 2.274 22.902) 23.292 9.225 ( 2.477 -0.266 1.997) 3.192 10.081 ( -10.297 0.078 0.720) 10.323 10.133 ( -2.460 0.583 0.749) 2.637 11.095 ( -5.238 -0.697 -7.962) 9.556 11.756 ( -15.375 7.556 -38.225) 41.889 12.753 ( -1.251 -0.098 -6.138) 6.265 13.853 ( -6.178 -0.360 28.220) 28.890 14.538 ( 3.717 -1.259 -13.752) 14.301 16.197 ( 2.599 4.491 42.727) 43.041 16.715 ( 5.989 -9.679 -15.518) 19.245 18.516 ( 19.284 -2.393 24.356) 31.158 25.017 ( 1.622 -0.999 29.633) 29.694 29.050 ( -4.606 0.316 4.126) 6.192 31.043 ( -13.895 -0.627 -3.060) 14.242 38.008 ( 3.975 -0.972 -22.932) 23.294 79.903 ( 2.754 -3.078 34.385) 34.633 90.008 ( 43.568 10.238 -47.984) 65.616 ======================= Grid point 374 (142/511) ======================= q-point: (-0.38 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -0.000 9.668 24.912) 26.723 2.419 ( -0.000 35.826 2.656) 35.924 3.200 ( -0.000 8.510 28.732) 29.966 4.916 ( 0.000 -12.068 18.389) 21.995 5.071 ( 0.000 -3.661 -1.461) 3.942 7.497 ( 0.000 -19.057 5.186) 19.750 8.226 ( -0.000 2.430 22.924) 23.052 9.250 ( 0.000 -0.210 5.483) 5.487 9.972 ( 0.000 -0.040 -0.242) 0.245 10.109 ( -0.000 0.434 1.527) 1.588 11.015 ( -0.000 0.947 -20.244) 20.267 11.556 ( -0.000 12.291 -28.461) 31.001 12.742 ( -0.000 0.081 -5.039) 5.039 13.794 ( 0.000 -1.602 32.129) 32.169 14.579 ( 0.000 -1.027 -10.324) 10.375 16.208 ( -0.000 3.151 37.483) 37.615 16.817 ( 0.000 -9.497 -11.465) 14.888 18.731 ( 0.000 -3.989 21.354) 21.724 25.042 ( 0.000 -1.835 31.036) 31.090 29.003 ( -0.000 0.427 4.029) 4.051 30.901 ( -0.000 0.106 -2.381) 2.384 38.055 ( 0.000 -1.546 -23.458) 23.509 79.953 ( 0.000 -5.188 37.935) 38.288 90.423 ( -0.000 9.017 -57.951) 58.648 ======================= Grid point 387 (143/511) ======================= q-point: (-0.56 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( -2.622 0.000 -17.631) 17.825 3.166 ( -32.221 0.000 14.902) 35.500 3.693 ( -48.528 0.000 25.817) 54.969 4.736 ( 2.361 -0.000 22.450) 22.574 6.221 ( -48.000 0.000 -2.274) 48.053 7.403 ( -7.557 0.000 9.034) 11.778 8.126 ( 5.932 -0.000 23.673) 24.404 9.154 ( 4.304 -0.000 -3.324) 5.438 10.190 ( -2.578 0.000 -0.254) 2.591 10.333 ( -13.885 0.000 2.672) 14.140 11.156 ( -1.864 0.000 0.973) 2.103 12.175 ( -21.609 0.000 -40.668) 46.052 12.798 ( -3.955 0.000 -9.397) 10.195 13.993 ( -5.979 0.000 15.918) 17.003 14.412 ( 7.636 -0.000 -17.618) 19.202 16.261 ( -3.924 0.000 66.247) 66.363 16.377 ( 18.950 -0.000 -36.144) 40.810 18.031 ( 27.141 -0.000 31.698) 41.730 24.976 ( 1.985 -0.000 27.461) 27.533 29.180 ( -8.419 0.000 4.437) 9.517 31.384 ( -21.105 0.000 -3.962) 21.473 37.900 ( 6.262 -0.000 -22.201) 23.067 79.823 ( 3.293 -0.000 28.867) 29.054 89.064 ( 59.697 -0.000 -33.571) 68.489 ======================= Grid point 389 (144/511) ======================= q-point: (-0.50 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -48.190 2.331 15.382) 50.639 2.926 ( -0.897 24.122 -7.404) 25.248 3.176 ( -9.394 -14.446 25.545) 30.813 4.784 ( 2.045 -2.709 22.209) 22.467 5.404 ( -33.827 0.330 -0.379) 33.831 7.323 ( -2.647 -5.765 8.141) 10.321 8.216 ( 3.432 0.799 23.094) 23.361 9.223 ( 2.535 -0.078 1.920) 3.181 10.081 ( -10.582 0.028 0.700) 10.605 10.137 ( -2.351 0.194 0.729) 2.469 11.090 ( -5.037 -0.262 -8.004) 9.460 11.806 ( -14.105 2.566 -36.460) 39.177 12.752 ( -1.145 -0.041 -6.165) 6.271 13.850 ( -6.906 -0.196 31.898) 32.638 14.531 ( 4.285 -0.293 -17.921) 18.429 16.230 ( 0.618 1.880 59.652) 59.685 16.648 ( 8.229 -3.636 -32.985) 34.190 18.502 ( 19.223 -0.684 23.137) 30.089 25.011 ( 1.468 -0.313 29.154) 29.193 29.052 ( -4.593 0.111 4.113) 6.166 31.040 ( -13.528 -0.191 -2.952) 13.848 38.001 ( 3.797 -0.371 -22.761) 23.078 79.883 ( 2.436 -0.965 32.657) 32.761 90.073 ( 41.533 3.188 -46.195) 62.202 ======================= Grid point 390 (145/511) ======================= q-point: (-0.44 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -0.000 5.129 23.595) 24.146 2.753 ( -0.000 31.418 7.350) 32.266 3.198 ( 0.000 -8.872 13.766) 16.377 4.835 ( 0.000 -4.539 22.771) 23.219 5.043 ( 0.000 -2.032 -1.374) 2.453 7.343 ( 0.000 -11.454 7.295) 13.580 8.245 ( -0.000 1.388 23.105) 23.147 9.248 ( 0.000 -0.113 5.466) 5.467 9.972 ( 0.000 -0.017 -0.245) 0.245 10.112 ( -0.000 0.229 1.532) 1.549 11.020 ( -0.000 0.216 -17.716) 17.717 11.648 ( -0.000 6.228 -28.666) 29.334 12.743 ( -0.000 0.044 -5.033) 5.034 13.781 ( 0.000 -0.968 37.019) 37.032 14.574 ( 0.000 -0.159 -16.644) 16.645 16.233 ( -0.000 1.772 53.281) 53.311 16.745 ( 0.000 -4.980 -28.097) 28.535 18.705 ( 0.000 -1.580 19.303) 19.368 25.029 ( 0.000 -0.815 30.136) 30.147 29.006 ( -0.000 0.231 4.004) 4.011 30.902 ( -0.000 0.057 -2.363) 2.364 38.042 ( 0.000 -0.909 -23.080) 23.097 79.917 ( 0.000 -2.319 34.908) 34.985 90.485 ( -0.000 3.955 -53.206) 53.353 ======================= Grid point 406 (146/511) ======================= q-point: ( 0.50 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -0.000 0.000 23.162) 23.162 2.994 ( -0.000 0.000 37.391) 37.391 3.067 ( 0.000 -0.000 -20.327) 20.327 4.815 ( -0.000 0.000 24.831) 24.831 5.033 ( -0.000 0.000 -1.342) 1.342 7.284 ( -0.000 0.000 8.087) 8.087 8.252 ( -0.000 0.000 23.153) 23.153 9.247 ( -0.000 0.000 5.460) 5.460 9.972 ( -0.000 0.000 -0.246) 0.246 10.113 ( -0.000 0.000 1.534) 1.534 11.021 ( -0.000 0.000 -17.091) 17.091 11.678 ( -0.000 0.000 -28.445) 28.445 12.743 ( -0.000 0.000 -5.032) 5.032 13.776 ( -0.000 0.000 38.586) 38.586 14.573 ( -0.000 0.000 -18.860) 18.860 16.242 ( -0.000 0.000 60.134) 60.134 16.720 ( -0.000 0.000 -35.180) 35.180 18.697 ( -0.000 0.000 18.703) 18.703 25.025 ( -0.000 0.000 29.852) 29.852 29.007 ( -0.000 0.000 3.996) 3.996 30.902 ( -0.000 0.000 -2.357) 2.357 38.038 ( -0.000 0.000 -22.960) 22.960 79.905 ( -0.000 0.000 33.933) 33.933 90.504 ( -0.000 0.000 -51.699) 51.699 ======================= Grid point 530 (147/511) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 511 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 0.000 0.000 45.155) 45.155 1.880 ( 0.000 0.000 41.516) 41.516 3.401 ( 0.000 0.000 69.275) 69.275 5.208 ( 0.000 0.000 -4.342) 4.342 6.249 ( 0.000 0.000 18.484) 18.484 7.933 ( 0.000 0.000 5.973) 5.973 8.775 ( 0.000 0.000 7.359) 7.359 9.423 ( 0.000 0.000 9.249) 9.249 9.725 ( 0.000 0.000 22.403) 22.403 9.969 ( 0.000 0.000 -0.498) 0.498 10.135 ( 0.000 0.000 4.151) 4.151 11.280 ( 0.000 0.000 7.101) 7.101 12.583 ( 0.000 0.000 -9.656) 9.656 13.369 ( 0.000 0.000 -24.375) 24.375 14.859 ( 0.000 0.000 -8.829) 8.829 15.618 ( 0.000 0.000 -10.857) 10.857 18.192 ( 0.000 0.000 29.029) 29.029 20.683 ( 0.000 0.000 3.390) 3.390 26.341 ( 0.000 0.000 36.221) 36.221 29.104 ( 0.000 0.000 7.900) 7.900 30.817 ( 0.000 0.000 -4.973) 4.973 37.297 ( 0.000 0.000 -40.636) 40.636 82.527 ( 0.000 0.000 20.451) 20.451 86.614 ( 0.000 0.000 -14.824) 14.824 ======================= Grid point 531 (148/511) ======================= q-point: ( 0.06 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 11.821 0.962 40.189) 41.902 2.272 ( 32.837 -2.779 35.445) 48.398 3.639 ( 24.513 -4.294 62.063) 66.866 5.435 ( 22.622 0.566 -4.457) 23.064 6.192 ( -3.974 5.040 20.410) 21.396 7.941 ( -0.152 -3.845 6.681) 7.710 8.562 ( -11.373 2.590 7.800) 14.032 9.587 ( -6.807 4.483 14.659) 16.772 9.863 ( 23.068 -5.976 -1.813) 23.898 10.170 ( 15.292 0.617 7.091) 16.867 10.246 ( 15.923 -2.027 -1.110) 16.090 11.323 ( 4.610 0.534 4.976) 6.805 12.566 ( -1.713 -0.059 -12.246) 12.365 13.357 ( -2.011 -3.122 -22.880) 23.179 14.807 ( -4.604 2.764 -8.479) 10.037 15.545 ( -8.106 -2.389 -10.692) 13.629 18.154 ( -3.873 0.243 29.520) 29.774 20.375 ( -25.719 9.974 15.879) 31.829 26.176 ( -12.848 2.792 43.596) 45.536 29.153 ( 4.971 -0.094 8.036) 9.449 31.006 ( 17.061 0.516 -9.620) 19.593 37.276 ( -2.378 -0.821 -40.668) 40.746 82.063 ( -36.190 12.848 38.523) 54.395 86.608 ( -6.901 -19.894 -16.866) 26.979 ======================= Grid point 532 (149/511) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 22.699 1.510 29.728) 37.434 2.926 ( 29.866 -7.255 33.128) 45.189 4.392 ( 49.277 -2.909 42.540) 65.164 5.979 ( 23.437 6.183 0.590) 24.246 6.099 ( 6.415 2.225 16.283) 17.642 7.973 ( 1.644 -5.400 9.153) 10.754 8.394 ( -5.185 3.320 6.150) 8.702 9.437 ( -6.334 3.199 11.910) 13.864 10.099 ( 4.991 -2.323 2.831) 6.190 10.488 ( 17.023 1.716 9.842) 19.739 10.751 ( 23.865 -5.474 -12.640) 27.555 11.472 ( 13.011 2.024 -5.590) 14.304 12.525 ( -2.154 -0.302 -19.147) 19.270 13.327 ( -3.212 -5.736 -19.202) 20.296 14.661 ( -8.320 4.893 -7.501) 12.224 15.339 ( -14.482 -4.270 -9.922) 18.067 18.045 ( -7.121 0.185 30.801) 31.614 19.754 ( -29.660 13.320 31.508) 45.276 25.931 ( -10.172 2.031 48.446) 49.544 29.292 ( 9.126 -0.177 8.439) 12.431 31.378 ( 20.817 1.462 -12.185) 24.165 37.214 ( -4.421 -0.716 -40.489) 40.736 81.314 ( -31.504 9.861 50.640) 60.449 86.513 ( -13.440 -21.068 -17.632) 30.584 ======================= Grid point 533 (150/511) ======================= q-point: ( 0.19 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 29.325 1.240 20.588) 35.852 3.505 ( 26.647 -9.514 30.017) 41.250 5.387 ( 44.824 0.706 23.879) 50.793 5.954 ( 4.641 13.382 22.515) 26.600 6.695 ( 30.927 -5.006 -4.388) 31.635 8.090 ( 8.634 -5.663 12.553) 16.254 8.310 ( -1.796 2.264 10.081) 10.487 9.313 ( -4.509 4.138 10.749) 12.369 10.177 ( 2.311 -1.625 2.993) 4.116 10.756 ( 10.121 1.022 10.461) 14.592 11.036 ( 4.833 -2.914 -3.758) 6.780 11.856 ( 26.044 1.134 -21.187) 33.593 12.508 ( 0.696 -0.766 -27.372) 27.392 13.293 ( -3.427 -7.006 -15.074) 16.972 14.451 ( -10.290 5.908 -5.843) 13.226 15.046 ( -17.642 -5.148 -8.287) 20.160 17.884 ( -9.412 -0.122 32.648) 33.978 19.152 ( -25.630 13.448 37.345) 47.248 25.768 ( -6.310 1.047 48.002) 48.426 29.498 ( 11.817 -0.234 9.085) 14.908 31.778 ( 21.164 1.514 -11.117) 23.954 37.117 ( -5.647 -0.252 -40.083) 40.479 80.788 ( -19.676 5.429 46.962) 51.206 86.309 ( -16.590 -15.602 -16.971) 28.402 ======================= Grid point 534 (151/511) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 31.353 1.505 15.388) 34.958 4.060 ( 26.040 -8.871 25.091) 37.233 5.647 ( -2.187 7.727 17.382) 19.148 6.415 ( 32.346 13.997 15.550) 38.522 7.193 ( 15.409 -10.978 0.186) 18.920 8.291 ( 9.568 -0.305 18.341) 20.689 8.446 ( 17.932 -5.848 11.463) 22.072 9.235 ( -0.629 4.721 12.277) 13.169 10.204 ( -0.108 -0.425 1.320) 1.391 10.828 ( -2.348 0.837 5.573) 6.106 11.077 ( 0.483 -1.398 -3.535) 3.832 12.374 ( 26.515 0.364 -22.384) 34.702 12.570 ( 4.940 -1.025 -32.883) 33.267 13.265 ( -2.824 -6.250 -11.591) 13.468 14.226 ( -9.506 5.611 -3.248) 11.507 14.734 ( -16.506 -4.872 -6.066) 18.248 17.690 ( -10.568 -0.367 35.163) 36.719 18.630 ( -22.125 12.199 38.727) 46.240 25.666 ( -4.029 0.453 46.678) 46.854 29.738 ( 12.665 -0.256 9.915) 16.086 32.173 ( 20.155 1.093 -9.605) 22.353 37.004 ( -5.911 0.105 -39.623) 40.061 80.472 ( -11.650 2.747 40.168) 41.913 86.044 ( -16.791 -9.397 -16.130) 25.108 ======================= Grid point 535 (152/511) ======================= q-point: ( 0.31 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.874 ( 30.119 3.502 13.821) 33.324 4.575 ( 22.239 -6.395 21.539) 31.613 5.579 ( 1.048 6.290 17.646) 18.763 6.672 ( 2.629 14.383 11.967) 18.894 7.336 ( -5.714 -10.433 7.090) 13.848 8.702 ( 29.282 -2.747 20.521) 35.862 8.794 ( 12.430 -3.689 1.909) 13.105 9.303 ( 11.040 1.183 21.038) 23.788 10.182 ( -1.622 1.121 -1.825) 2.687 10.690 ( -10.341 0.849 -2.431) 10.657 11.109 ( 2.507 -2.280 -6.121) 6.996 12.654 ( 1.817 -0.197 -33.710) 33.760 12.842 ( 20.910 0.921 -21.048) 29.683 13.257 ( 0.036 -4.120 -10.071) 10.881 14.050 ( -5.596 4.779 -0.358) 7.367 14.492 ( -9.961 -4.357 -3.933) 11.561 17.488 ( -10.250 -0.275 38.539) 39.879 18.173 ( -19.779 9.497 39.577) 45.252 25.602 ( -2.623 0.108 45.648) 45.724 29.977 ( 11.595 -0.237 10.818) 15.860 32.534 ( 17.361 0.634 -8.511) 19.345 36.894 ( -5.284 0.250 -39.217) 39.572 80.289 ( -6.706 1.207 34.737) 35.399 85.770 ( -14.666 -4.349 -15.412) 21.714 ======================= Grid point 536 (153/511) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.406 ( 27.456 6.427 14.768) 31.831 4.912 ( 9.251 -2.090 20.569) 22.650 5.706 ( 15.160 1.409 17.217) 22.983 6.468 ( -15.644 8.783 17.119) 24.798 7.177 ( -13.577 -8.200 13.121) 20.585 8.860 ( 0.498 1.419 -8.623) 8.753 9.334 ( 25.912 0.199 24.556) 35.700 9.609 ( 17.958 -5.161 20.627) 27.831 10.145 ( -1.050 1.737 -4.909) 5.312 10.463 ( -11.968 0.097 -8.150) 14.479 11.220 ( 7.896 -4.118 -9.255) 12.843 12.580 ( -9.359 1.875 -27.764) 29.359 13.127 ( 8.740 2.771 -17.216) 19.505 13.340 ( 6.549 -2.905 -15.693) 17.251 13.981 ( 1.084 3.958 -0.375) 4.121 14.415 ( -0.362 -4.181 -3.175) 5.262 17.310 ( -7.776 0.216 42.537) 43.243 17.774 ( -17.432 5.761 41.176) 45.084 25.561 ( -1.608 -0.056 45.005) 45.034 30.177 ( 8.811 -0.182 11.643) 14.602 32.825 ( 12.752 0.301 -7.867) 14.986 36.803 ( -3.936 0.232 -38.918) 39.117 80.189 ( -3.573 0.372 31.258) 31.463 85.535 ( -10.785 -1.228 -14.879) 18.417 ======================= Grid point 537 (154/511) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.868 ( 22.963 6.251 17.479) 29.528 5.001 ( 2.070 1.026 20.671) 20.799 6.011 ( -9.353 -3.393 12.399) 15.897 6.144 ( 10.620 5.006 24.471) 27.142 6.912 ( -17.466 -5.480 17.771) 25.513 8.845 ( -0.692 1.349 -9.914) 10.029 9.640 ( 8.978 1.419 22.250) 24.035 9.963 ( 11.602 -1.969 12.551) 17.205 10.139 ( 1.546 1.031 -4.398) 4.775 10.265 ( -7.476 -1.736 -8.944) 11.785 11.461 ( 14.022 -5.966 -12.138) 19.482 12.306 ( -15.988 4.373 -19.339) 25.470 13.198 ( 1.668 2.429 -12.967) 13.298 13.467 ( 4.321 -1.293 -19.961) 20.464 14.037 ( 4.746 1.936 -4.475) 6.804 14.479 ( 3.681 -2.673 -4.878) 6.670 17.205 ( -2.448 0.733 46.103) 46.174 17.456 ( -12.999 2.113 43.483) 45.434 25.539 ( -0.768 -0.072 44.668) 44.675 30.310 ( 4.747 -0.098 12.224) 13.114 33.014 ( 6.747 0.109 -7.550) 10.126 36.743 ( -2.094 0.130 -38.743) 38.799 80.140 ( -1.516 0.039 29.417) 29.456 85.376 ( -5.704 -0.021 -14.552) 15.630 ======================= Grid point 538 (155/511) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 782 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.003 ( 0.000 0.000 21.646) 21.646 5.153 ( 0.000 -0.000 19.140) 19.140 5.756 ( 0.000 -0.000 16.366) 16.366 6.503 ( 0.000 -0.000 17.526) 17.526 6.594 ( 0.000 -0.000 22.065) 22.065 8.834 ( 0.000 -0.000 -10.484) 10.484 9.725 ( 0.000 -0.000 21.742) 21.742 10.033 ( 0.000 0.000 -2.024) 2.024 10.148 ( 0.000 0.000 -8.156) 8.156 10.239 ( 0.000 0.000 5.766) 5.766 11.704 ( 0.000 -0.000 -15.592) 15.592 12.048 ( 0.000 -0.000 -13.427) 13.427 13.205 ( 0.000 -0.000 -11.594) 11.594 13.511 ( 0.000 0.000 -20.442) 20.442 14.087 ( 0.000 -0.000 -6.719) 6.719 14.530 ( 0.000 0.000 -6.347) 6.347 17.202 ( 0.000 -0.000 48.087) 48.087 17.296 ( -0.000 -0.000 44.278) 44.278 25.531 ( 0.000 -0.000 44.564) 44.564 30.357 ( 0.000 -0.000 12.434) 12.434 33.080 ( 0.000 -0.000 -7.458) 7.458 36.722 ( 0.000 -0.000 -38.686) 38.686 80.126 ( 0.000 -0.000 28.852) 28.852 85.321 ( 0.000 -0.000 -14.441) 14.441 ======================= Grid point 548 (156/511) ======================= q-point: ( 0.06 0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 22.636 -0.000 31.220) 38.562 2.888 ( 29.634 -0.000 33.654) 44.841 4.378 ( 50.449 -0.000 42.599) 66.028 6.007 ( 34.166 -0.000 -5.410) 34.592 6.113 ( -4.956 0.000 22.438) 22.978 7.945 ( 2.037 -0.000 8.898) 9.128 8.411 ( -5.533 0.000 5.677) 7.928 9.453 ( -6.599 0.000 12.131) 13.810 10.087 ( 5.475 -0.000 2.779) 6.140 10.497 ( 16.678 -0.000 10.915) 19.932 10.723 ( 24.651 -0.000 -13.067) 27.900 11.482 ( 13.054 -0.000 -5.578) 14.196 12.524 ( -2.235 0.000 -19.351) 19.480 13.298 ( -3.061 0.000 -19.474) 19.713 14.686 ( -8.434 0.000 -7.583) 11.342 15.317 ( -14.395 0.000 -9.588) 17.295 18.046 ( -7.210 0.000 30.184) 31.033 19.822 ( -30.973 0.000 30.167) 43.237 25.942 ( -10.718 0.000 48.349) 49.523 29.291 ( 9.129 -0.000 8.443) 12.435 31.386 ( 20.779 -0.000 -12.632) 24.317 37.210 ( -4.238 0.000 -40.254) 40.477 81.365 ( -34.008 0.000 50.398) 60.799 86.405 ( -9.959 0.000 -14.490) 17.582 ======================= Grid point 549 (157/511) ======================= q-point: ( 0.12 0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 29.187 0.766 22.625) 36.938 3.439 ( 27.370 -3.579 30.072) 40.820 5.391 ( 46.272 0.191 24.000) 52.126 6.049 ( 4.380 5.247 24.890) 25.812 6.657 ( 29.643 -2.222 -6.656) 30.462 8.051 ( 9.621 -2.069 12.336) 15.780 8.326 ( -3.149 0.815 9.383) 9.931 9.341 ( -4.572 1.441 11.387) 12.355 10.165 ( 2.720 -0.708 2.803) 3.969 10.764 ( 9.770 0.442 11.083) 14.781 11.016 ( 6.312 -1.027 -4.662) 7.914 11.865 ( 25.418 0.526 -20.545) 32.687 12.502 ( 0.537 -0.362 -27.867) 27.875 13.246 ( -2.812 -2.476 -15.277) 15.730 14.493 ( -10.651 2.302 -5.668) 12.283 15.010 ( -17.321 -2.025 -7.896) 19.143 17.883 ( -9.513 -0.060 31.967) 33.352 19.243 ( -27.224 4.801 35.936) 45.339 25.775 ( -6.685 0.386 48.096) 48.560 29.496 ( 11.827 -0.082 9.074) 14.907 31.789 ( 20.915 0.562 -11.534) 23.891 37.115 ( -5.467 -0.114 -39.886) 40.259 80.825 ( -21.468 2.028 47.522) 52.185 86.201 ( -12.801 -5.749 -14.625) 20.268 ======================= Grid point 550 (158/511) ======================= q-point: ( 0.19 0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 31.627 1.102 16.980) 35.914 3.991 ( 27.458 -4.940 24.607) 37.200 5.706 ( -2.057 4.117 16.846) 17.464 6.537 ( 34.501 10.048 18.203) 40.282 7.094 ( 12.926 -8.338 -2.391) 15.567 8.299 ( 8.829 1.873 17.778) 19.937 8.390 ( 17.594 -5.345 12.010) 21.962 9.271 ( -1.158 2.526 13.172) 13.462 10.199 ( 0.519 -0.398 1.061) 1.246 10.835 ( -2.312 0.466 5.653) 6.125 11.068 ( 0.598 -0.571 -4.097) 4.180 12.378 ( 26.596 0.406 -22.127) 34.600 12.561 ( 4.939 -0.802 -33.106) 33.482 13.217 ( -1.618 -3.364 -11.773) 12.350 14.271 ( -10.206 3.424 -2.914) 11.152 14.694 ( -15.927 -3.000 -5.722) 17.187 17.687 ( -10.564 -0.186 34.722) 36.294 18.723 ( -23.896 6.603 37.152) 44.664 25.670 ( -4.244 0.257 46.796) 46.989 29.736 ( 12.684 -0.139 9.877) 16.077 32.182 ( 19.877 0.618 -9.823) 22.181 37.005 ( -5.821 0.035 -39.485) 39.912 80.494 ( -12.670 1.549 40.712) 42.666 85.970 ( -13.734 -5.275 -14.780) 20.854 ======================= Grid point 551 (159/511) ======================= q-point: ( 0.25 0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.903 ( 31.117 2.397 14.389) 34.366 4.523 ( 24.185 -4.110 20.772) 32.144 5.631 ( -0.903 4.229 16.924) 17.467 6.808 ( 0.483 13.109 11.870) 17.691 7.233 ( -4.298 -10.352 5.897) 12.665 8.680 ( 30.786 -1.715 23.936) 39.034 8.759 ( 13.560 -3.299 0.975) 13.990 9.314 ( 8.127 1.083 21.487) 22.999 10.191 ( -1.094 0.688 -1.946) 2.337 10.697 ( -10.534 0.603 -3.014) 10.974 11.091 ( 2.012 -1.414 -6.594) 7.038 12.651 ( 2.316 -0.408 -33.462) 33.544 12.851 ( 21.662 0.921 -20.739) 30.003 13.223 ( 1.034 -2.760 -10.451) 10.858 14.091 ( -6.190 3.357 -0.225) 7.045 14.455 ( -9.620 -3.104 -3.515) 10.702 17.486 ( -10.096 -0.146 38.352) 39.659 18.251 ( -21.779 6.287 38.000) 44.247 25.602 ( -2.736 0.079 45.736) 45.818 29.975 ( 11.624 -0.159 10.757) 15.838 32.539 ( 17.150 0.438 -8.567) 19.175 36.896 ( -5.276 0.156 -39.121) 39.476 80.299 ( -7.269 0.830 35.035) 35.791 85.733 ( -12.630 -2.994 -14.788) 19.677 ======================= Grid point 552 (160/511) ======================= q-point: ( 0.31 0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.465 ( 28.650 5.280 14.206) 32.411 4.894 ( 11.062 -1.578 19.606) 22.567 5.717 ( 12.696 0.821 15.976) 20.423 6.549 ( -19.267 7.575 18.349) 27.664 7.102 ( -11.827 -7.019 11.791) 18.116 8.869 ( 0.997 0.483 -8.382) 8.455 9.340 ( 29.379 0.871 24.792) 38.452 9.562 ( 15.705 -4.380 23.485) 28.590 10.161 ( -1.176 1.365 -5.085) 5.395 10.465 ( -12.342 0.270 -9.339) 15.479 11.184 ( 7.026 -3.179 -9.498) 12.235 12.594 ( -8.323 1.168 -27.176) 28.446 13.157 ( 9.631 3.239 -17.707) 20.415 13.309 ( 6.750 -3.180 -15.643) 17.331 14.016 ( 0.336 3.115 -0.554) 3.182 14.378 ( 0.067 -3.290 -2.539) 4.156 17.312 ( -7.510 0.170 42.453) 43.113 17.825 ( -19.416 4.385 39.944) 44.629 25.561 ( -1.643 -0.038 45.057) 45.087 30.176 ( 8.850 -0.141 11.578) 14.573 32.828 ( 12.623 0.237 -7.839) 14.861 36.805 ( -3.978 0.173 -38.854) 39.058 80.192 ( -3.840 0.295 31.350) 31.585 85.524 ( -9.782 -0.975 -14.684) 17.670 ======================= Grid point 553 (161/511) ======================= q-point: ( 0.38 0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.924 ( 16.418 4.822 17.510) 24.483 5.018 ( 8.815 2.585 18.388) 20.555 5.971 ( -8.407 -4.474 11.917) 15.255 6.192 ( 6.326 4.515 26.264) 27.390 6.863 ( -15.927 -4.443 16.724) 23.518 8.855 ( -1.278 0.723 -9.782) 9.891 9.655 ( 8.081 1.400 23.522) 24.911 9.944 ( 15.205 -1.787 15.141) 21.532 10.148 ( 1.078 0.792 -5.138) 5.309 10.252 ( -8.624 -0.873 -10.985) 13.993 11.407 ( 13.966 -4.896 -12.127) 19.133 12.343 ( -15.546 3.087 -19.269) 24.950 13.228 ( 1.257 3.429 -13.357) 13.848 13.448 ( 4.602 -2.495 -19.718) 20.401 14.056 ( 3.776 1.879 -4.792) 6.384 14.454 ( 4.838 -2.282 -4.319) 6.875 17.212 ( -2.273 0.688 45.954) 46.015 17.475 ( -14.632 1.719 42.887) 45.347 25.538 ( -0.747 -0.058 44.690) 44.697 30.310 ( 4.793 -0.086 12.182) 13.091 33.015 ( 6.679 0.095 -7.513) 10.053 36.744 ( -2.155 0.109 -38.710) 38.770 80.140 ( -1.586 0.037 29.418) 29.461 85.376 ( -5.492 -0.030 -14.530) 15.533 ======================= Grid point 554 (162/511) ======================= q-point: ( 0.44 0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.987 ( -0.526 -2.751 20.878) 21.065 5.185 ( -6.020 5.774 19.876) 21.556 5.736 ( 2.626 -3.867 16.348) 17.004 6.500 ( -11.204 -0.465 17.662) 20.920 6.601 ( 13.421 1.403 22.055) 25.856 8.831 ( -0.895 -0.469 -10.522) 10.570 9.723 ( -0.849 -0.389 21.555) 21.575 10.040 ( -0.299 1.307 -2.322) 2.681 10.145 ( -1.002 -0.608 -7.951) 8.037 10.241 ( 2.764 0.378 5.990) 6.608 11.702 ( 8.287 -0.459 -15.439) 17.528 12.048 ( -7.475 -0.071 -13.562) 15.486 13.212 ( -1.079 1.419 -11.684) 11.819 13.503 ( 0.231 -1.515 -20.201) 20.259 14.088 ( -0.819 0.294 -6.874) 6.929 14.530 ( 1.438 0.041 -6.350) 6.511 17.205 ( -0.740 0.727 47.937) 47.948 17.293 ( -0.643 -0.717 44.421) 44.431 25.532 ( 0.044 0.003 44.563) 44.563 30.357 ( 0.049 -0.004 12.434) 12.434 33.080 ( -0.046 0.003 -7.458) 7.458 36.722 ( -0.066 -0.001 -38.686) 38.686 80.126 ( 0.007 0.000 28.852) 28.852 85.321 ( -0.097 -0.005 -14.441) 14.441 ======================= Grid point 555 (163/511) ======================= q-point: (-0.50 0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.807 ( -24.585 -5.875 18.129) 31.106 4.995 ( -1.066 -0.115 22.254) 22.280 6.028 ( 16.319 -0.633 15.276) 22.363 6.104 ( -20.179 -2.356 20.526) 28.880 6.968 ( 19.010 5.751 18.957) 27.456 8.829 ( -0.044 -1.963 -10.203) 10.390 9.628 ( -9.220 -1.101 20.851) 22.825 9.982 ( -8.689 2.043 9.319) 12.904 10.127 ( -1.856 -1.365 -3.727) 4.382 10.286 ( 6.316 2.457 -6.174) 9.168 11.523 ( -14.336 6.411 -12.106) 19.828 12.257 ( 16.734 -5.392 -19.437) 26.209 13.181 ( -2.276 -1.168 -12.776) 13.030 13.473 ( -3.787 -0.028 -19.821) 20.180 14.019 ( -5.830 -1.628 -4.380) 7.472 14.506 ( -2.470 2.682 -5.470) 6.573 17.198 ( 2.476 -0.630 46.189) 46.260 17.434 ( 11.379 -2.223 44.208) 45.703 25.539 ( 0.792 0.076 44.643) 44.650 30.311 ( -4.698 0.095 12.269) 13.138 33.013 ( -6.818 -0.105 -7.591) 10.204 36.742 ( 2.027 -0.132 -38.778) 38.831 80.140 ( 1.444 -0.035 29.416) 29.452 85.376 ( 5.923 0.006 -14.573) 15.730 ======================= Grid point 556 (164/511) ======================= q-point: (-0.44 0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.342 ( -26.554 -6.490 15.465) 31.407 4.934 ( -6.729 2.470 21.803) 22.951 5.689 ( -17.747 -2.053 18.584) 25.778 6.381 ( 12.241 -8.708 15.915) 21.885 7.260 ( 14.766 8.365 14.608) 22.392 8.841 ( -0.339 -2.577 -9.027) 9.394 9.336 ( -23.011 0.624 23.723) 33.056 9.661 ( -19.137 5.271 17.541) 26.489 10.127 ( 0.900 -1.897 -4.446) 4.917 10.464 ( 11.349 0.236 -6.716) 13.189 11.263 ( -8.926 4.445 -8.994) 13.428 12.558 ( 10.634 -2.514 -28.462) 30.487 13.103 ( -8.146 -2.019 -16.932) 18.897 13.366 ( -5.599 2.477 -15.499) 16.664 13.940 ( -2.152 -4.270 -0.221) 4.787 14.458 ( 0.875 4.486 -3.909) 6.014 17.308 ( 8.127 -0.222 42.645) 43.413 17.714 ( 15.037 -6.287 42.652) 45.660 25.562 ( 1.569 0.068 44.944) 44.971 30.179 ( -8.765 0.194 11.719) 14.636 32.822 ( -12.897 -0.315 -7.902) 15.129 36.800 ( 3.883 -0.259 -38.992) 39.186 80.185 ( 3.266 -0.387 31.150) 31.323 85.547 ( 11.933 1.271 -15.098) 19.287 ======================= Grid point 557 (165/511) ======================= q-point: (-0.38 0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.836 ( -28.719 -4.065 13.168) 31.855 4.647 ( -19.727 8.223 22.459) 31.002 5.510 ( -3.528 -7.612 18.694) 20.491 6.529 ( -4.519 -14.354 12.481) 19.551 7.437 ( 6.605 9.942 8.189) 14.475 8.730 ( -25.247 2.654 14.803) 29.387 8.828 ( -12.827 3.242 4.556) 13.993 9.293 ( -15.165 -0.646 20.230) 25.292 10.169 ( 2.173 -1.440 -1.671) 3.096 10.681 ( 10.061 -0.877 -1.488) 10.208 11.135 ( -2.972 2.874 -5.582) 6.947 12.653 ( -1.355 -0.376 -34.138) 34.167 12.834 ( -19.925 -0.491 -21.247) 29.132 13.302 ( 1.441 5.033 -9.801) 11.112 13.999 ( 5.034 -5.640 -0.400) 7.570 14.538 ( 10.247 4.989 -4.617) 12.296 17.492 ( 10.491 0.460 38.809) 40.205 18.069 ( 17.121 -11.402 41.660) 46.462 25.600 ( 2.483 -0.112 45.533) 45.601 29.979 ( -11.556 0.278 10.898) 15.887 32.527 ( -17.620 -0.715 -8.447) 19.553 36.891 ( 5.280 -0.322 -39.337) 39.691 80.276 ( 6.002 -1.373 34.352) 34.899 85.816 ( 17.213 4.933 -16.185) 24.137 ======================= Grid point 558 (166/511) ======================= q-point: (-0.31 0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( -30.458 -1.188 13.188) 33.212 4.161 ( -24.312 11.448 25.505) 37.049 5.558 ( 1.924 -10.301 18.293) 21.082 6.271 ( -30.848 -14.865 14.274) 37.098 7.302 ( -16.967 11.113 1.368) 20.328 8.303 ( -10.155 2.175 19.120) 21.758 8.502 ( -18.888 5.364 10.667) 22.345 9.180 ( -0.198 -6.341 11.088) 12.775 10.206 ( 0.846 0.048 1.437) 1.668 10.819 ( 2.429 -1.051 5.801) 6.376 11.096 ( -0.245 2.383 -2.747) 3.645 12.373 ( -26.269 0.123 -22.774) 34.766 12.579 ( -5.006 0.673 -32.604) 32.993 13.337 ( 4.568 8.226 -11.429) 14.804 14.165 ( 8.691 -6.605 -3.493) 11.462 14.787 ( 17.189 5.724 -6.871) 19.376 17.695 ( 10.521 0.547 35.963) 37.474 18.489 ( 19.605 -15.989 40.961) 48.144 25.661 ( 3.728 -0.551 46.500) 46.653 29.741 ( -12.636 0.333 9.972) 16.100 32.161 ( -20.530 -1.337 -9.307) 22.581 37.003 ( 6.013 -0.212 -39.811) 40.263 80.441 ( 10.253 -3.385 39.362) 40.816 86.149 ( 21.028 11.636 -18.009) 30.032 ======================= Grid point 559 (167/511) ======================= q-point: (-0.25 0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -29.004 0.126 17.068) 33.654 3.618 ( -25.729 13.031 29.581) 41.314 5.376 ( -42.365 -1.590 23.698) 48.568 5.799 ( -4.775 -17.743 20.342) 27.412 6.749 ( -33.330 5.918 -2.380) 33.935 8.155 ( -7.830 6.803 12.616) 16.333 8.285 ( 0.240 -2.236 11.847) 12.058 9.261 ( 4.392 -6.295 9.570) 12.267 10.193 ( -1.751 1.553 3.082) 3.870 10.745 ( -10.483 -1.098 9.837) 14.417 11.072 ( -2.481 4.319 -2.267) 5.472 11.846 ( -27.033 -0.749 -22.325) 35.068 12.515 ( -0.927 0.576 -26.709) 26.731 13.380 ( 4.466 10.325 -14.671) 18.488 14.382 ( 9.671 -7.761 -6.010) 13.780 15.106 ( 18.182 6.730 -9.204) 21.462 17.884 ( 9.126 -0.002 34.167) 35.365 18.987 ( 23.042 -19.516 39.536) 49.748 25.755 ( 5.683 -1.438 47.810) 48.168 29.501 ( -11.799 0.350 9.106) 14.908 31.760 ( -21.548 -2.054 -10.431) 24.028 37.120 ( 5.908 0.196 -40.395) 40.825 80.724 ( 16.834 -7.315 45.881) 49.416 86.495 ( 22.710 21.446 -20.840) 37.549 ======================= Grid point 560 (168/511) ======================= q-point: (-0.19 0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -22.509 -0.007 25.587) 34.078 3.021 ( -30.744 11.533 31.554) 45.539 4.432 ( -45.986 4.841 42.212) 62.610 5.882 ( -6.462 -13.232 10.815) 18.271 6.080 ( -25.147 -1.470 5.765) 25.841 8.040 ( -1.101 7.171 9.783) 12.180 8.354 ( 4.632 -3.915 7.697) 9.799 9.392 ( 5.856 -5.703 11.214) 13.877 10.127 ( -4.034 2.951 2.917) 5.787 10.469 ( -17.481 -1.932 8.226) 19.416 10.825 ( -22.183 9.214 -12.640) 27.143 11.446 ( -12.827 -3.011 -5.602) 14.317 12.529 ( 1.986 0.311 -18.689) 18.796 13.407 ( 3.576 10.278 -18.402) 21.379 14.596 ( 7.990 -8.064 -7.290) 13.491 15.396 ( 14.719 6.928 -10.876) 19.569 18.041 ( 6.806 -0.675 32.805) 33.510 19.572 ( 26.403 -23.012 34.596) 49.230 25.904 ( 8.817 -3.316 48.608) 49.513 29.294 ( -9.118 0.326 8.429) 12.422 31.359 ( -20.858 -2.344 -11.080) 23.734 37.222 ( 4.836 0.955 -41.041) 41.336 81.186 ( 25.760 -15.282 50.776) 58.952 86.792 ( 21.463 33.930 -25.166) 47.384 ======================= Grid point 561 (169/511) ======================= q-point: (-0.12 0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -11.446 -0.432 36.589) 38.340 2.321 ( -34.025 6.739 34.264) 48.756 3.719 ( -22.077 11.441 60.952) 65.829 5.425 ( -22.922 -1.564 -4.266) 23.368 6.098 ( 3.179 -13.708 20.122) 24.554 8.006 ( 0.863 8.453 7.008) 11.014 8.518 ( 10.398 -5.659 8.792) 14.746 9.524 ( 2.643 -7.192 13.627) 15.634 9.947 ( -15.096 9.530 -3.150) 18.128 10.161 ( -12.877 -1.064 6.226) 14.343 10.286 ( -20.301 6.037 -2.545) 21.332 11.315 ( -3.966 -0.965 5.473) 6.827 12.567 ( 1.661 0.128 -12.132) 12.246 13.416 ( 2.067 8.595 -21.925) 23.640 14.757 ( 4.485 -7.228 -7.979) 11.663 15.588 ( 8.164 6.128 -11.531) 15.400 18.148 ( 3.717 -0.957 31.371) 31.604 20.192 ( 22.864 -26.213 21.372) 40.825 26.127 ( 10.848 -6.823 45.406) 47.180 29.155 ( -4.969 0.267 8.015) 9.435 30.997 ( -16.445 -1.228 -8.813) 18.698 37.290 ( 2.739 1.822 -41.536) 41.666 81.845 ( 28.542 -28.764 44.644) 60.292 86.953 ( 14.521 46.534 -30.311) 57.402 ======================= Grid point 562 (170/511) ======================= q-point: (-0.06 0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.000 -0.258 43.159) 43.160 1.897 ( -0.000 3.472 40.998) 41.145 3.456 ( -0.000 10.786 68.244) 69.091 5.200 ( 0.000 -1.529 -4.292) 4.556 6.196 ( 0.000 -10.562 18.661) 21.443 7.975 ( -0.000 7.792 5.828) 9.731 8.733 ( 0.000 -7.748 8.749) 11.686 9.422 ( 0.000 -0.158 9.237) 9.238 9.776 ( -0.000 9.768 17.664) 20.185 9.969 ( 0.000 -0.062 -0.496) 0.500 10.137 ( -0.000 0.291 4.151) 4.161 11.278 ( 0.000 -0.212 7.320) 7.324 12.583 ( -0.000 0.055 -9.653) 9.653 13.400 ( -0.000 6.085 -23.789) 24.555 14.832 ( 0.000 -5.352 -8.466) 10.016 15.642 ( -0.000 4.539 -11.341) 12.215 18.189 ( 0.000 -0.706 30.050) 30.059 20.569 ( 0.000 -22.436 7.956) 23.805 26.299 ( 0.000 -7.980 38.659) 39.475 29.105 ( -0.000 0.185 7.887) 7.889 30.817 ( -0.000 0.092 -4.964) 4.964 37.307 ( -0.000 1.903 -41.330) 41.374 82.346 ( 0.000 -33.233 29.115) 44.183 86.860 ( -0.000 45.767 -27.267) 53.274 ======================= Grid point 565 (171/511) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 826 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 31.647 -0.000 17.576) 36.200 3.966 ( 28.020 -0.000 24.386) 37.146 5.727 ( -1.942 0.000 16.667) 16.780 6.591 ( 36.248 -0.000 20.385) 41.587 7.049 ( 11.005 -0.000 -4.540) 11.904 8.317 ( 5.045 -0.000 18.998) 19.657 8.354 ( 20.988 -0.000 10.776) 23.592 9.283 ( -1.341 0.000 13.508) 13.574 10.197 ( 0.770 -0.000 0.929) 1.207 10.837 ( -2.309 0.000 5.734) 6.181 11.065 ( 0.630 -0.000 -4.304) 4.350 12.381 ( 26.618 -0.000 -22.032) 34.553 12.557 ( 4.941 -0.000 -33.196) 33.561 13.200 ( -1.192 0.000 -11.850) 11.910 14.289 ( -10.495 0.000 -2.749) 10.849 14.679 ( -15.685 0.000 -5.655) 16.673 17.686 ( -10.558 0.000 34.581) 36.156 18.756 ( -24.535 0.000 36.585) 44.050 25.671 ( -4.322 0.000 46.837) 47.036 29.736 ( 12.691 -0.000 9.863) 16.073 32.185 ( 19.774 -0.000 -9.904) 22.116 37.005 ( -5.784 0.000 -39.435) 39.857 80.501 ( -13.047 0.000 40.903) 42.934 85.944 ( -12.615 0.000 -14.287) 19.059 ======================= Grid point 566 (172/511) ======================= q-point: ( 0.19 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.920 ( 31.617 0.858 14.729) 34.890 4.495 ( 25.264 -1.427 20.324) 32.456 5.660 ( -1.975 1.500 16.561) 16.746 6.918 ( -1.910 7.885 13.242) 15.529 7.142 ( -2.298 -6.892 3.795) 8.196 8.669 ( 31.332 -0.506 26.361) 40.949 8.735 ( 14.359 -1.386 -0.083) 14.426 9.322 ( 6.666 0.428 21.706) 22.711 10.196 ( -0.762 0.229 -2.018) 2.170 10.701 ( -10.628 0.215 -3.267) 11.121 11.081 ( 1.683 -0.471 -6.881) 7.099 12.647 ( 2.640 -0.195 -33.360) 33.465 12.858 ( 22.099 0.388 -20.502) 30.147 13.204 ( 1.497 -0.983 -10.724) 10.872 14.114 ( -6.611 1.245 -0.108) 6.729 14.433 ( -9.350 -1.159 -3.342) 9.997 17.485 ( -10.020 -0.046 38.257) 39.548 18.293 ( -22.855 2.199 37.150) 43.673 25.603 ( -2.799 0.029 45.784) 45.869 29.974 ( 11.640 -0.056 10.724) 15.827 32.542 ( 17.030 0.157 -8.600) 19.079 36.897 ( -5.268 0.052 -39.068) 39.421 80.305 ( -7.582 0.296 35.198) 36.006 85.713 ( -11.496 -1.069 -14.439) 18.488 ======================= Grid point 567 (173/511) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.506 ( 29.775 3.029 13.848) 32.978 4.881 ( 12.051 -0.889 18.994) 22.512 5.723 ( 10.858 0.361 15.111) 18.611 6.611 ( -22.696 4.718 19.524) 30.308 7.044 ( -9.653 -4.391 10.607) 14.999 8.871 ( 1.545 0.054 -8.228) 8.372 9.349 ( 33.166 0.898 24.407) 41.189 9.526 ( 12.567 -2.705 25.789) 28.815 10.172 ( -1.240 0.764 -5.084) 5.288 10.468 ( -12.515 0.214 -10.122) 16.098 11.159 ( 6.429 -1.736 -9.679) 11.748 12.603 ( -7.641 0.543 -26.795) 27.869 13.189 ( 11.181 3.083 -18.588) 21.910 13.278 ( 5.836 -3.000 -15.061) 16.428 14.040 ( -0.119 1.755 -0.720) 1.901 14.352 ( 0.365 -1.849 -2.085) 2.810 17.313 ( -7.346 0.093 42.400) 43.031 17.858 ( -20.724 2.366 39.129) 44.341 25.560 ( -1.668 -0.019 45.092) 45.122 30.175 ( 8.875 -0.077 11.535) 14.554 32.830 ( 12.535 0.130 -7.821) 14.775 36.806 ( -4.003 0.092 -38.811) 39.017 80.194 ( -4.022 0.163 31.411) 31.668 85.516 ( -9.097 -0.541 -14.548) 17.167 ======================= Grid point 568 (174/511) ======================= q-point: ( 0.31 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.958 ( 5.487 2.176 18.397) 19.321 5.050 ( 20.720 3.606 15.563) 26.164 5.929 ( -10.204 -3.878 11.967) 16.198 6.230 ( 4.633 3.025 27.560) 28.110 6.827 ( -14.677 -2.871 15.906) 21.833 8.860 ( -1.680 0.294 -9.743) 9.891 9.667 ( 6.724 0.997 24.390) 25.319 9.929 ( 18.751 -1.274 16.811) 25.216 10.154 ( 0.568 0.566 -5.746) 5.802 10.247 ( -9.482 -0.306 -12.110) 15.384 11.367 ( 14.006 -3.244 -12.114) 18.799 12.367 ( -15.300 1.798 -19.216) 24.629 13.264 ( 0.917 3.752 -13.765) 14.297 13.420 ( 4.805 -3.139 -19.339) 20.172 14.072 ( 3.035 1.380 -5.181) 6.161 14.435 ( 5.769 -1.548 -3.867) 7.115 17.218 ( -2.049 0.489 45.804) 45.852 17.489 ( -15.965 1.117 42.469) 45.385 25.538 ( -0.732 -0.037 44.707) 44.713 30.309 ( 4.827 -0.059 12.150) 13.074 33.016 ( 6.627 0.065 -7.484) 9.997 36.745 ( -2.200 0.072 -38.684) 38.747 80.141 ( -1.642 0.027 29.419) 29.465 85.376 ( -5.323 -0.027 -14.511) 15.457 ======================= Grid point 569 (175/511) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.959 ( -1.931 -2.491 19.886) 20.134 5.254 ( -11.905 7.935 20.888) 25.318 5.684 ( 6.618 -6.569 16.215) 18.705 6.495 ( -16.584 -0.521 17.877) 24.391 6.618 ( 20.671 1.782 22.139) 30.342 8.825 ( -1.687 -0.666 -10.616) 10.770 9.718 ( -1.420 -0.516 21.129) 21.183 10.057 ( -0.756 2.171 -3.158) 3.906 10.136 ( -1.671 -1.152 -7.428) 7.700 10.246 ( 4.995 0.472 6.592) 8.284 11.696 ( 15.105 -0.654 -15.071) 21.348 12.047 ( -13.597 -0.093 -13.887) 19.435 13.231 ( -2.128 2.288 -11.909) 12.312 13.483 ( 0.553 -2.418 -19.626) 19.782 14.092 ( -1.510 0.405 -7.232) 7.399 14.530 ( 2.661 0.057 -6.357) 6.892 17.216 ( -1.384 1.341 47.512) 47.551 17.282 ( -1.172 -1.328 44.829) 44.864 25.532 ( 0.082 0.004 44.562) 44.563 30.357 ( 0.091 -0.005 12.434) 12.434 33.080 ( -0.085 0.004 -7.458) 7.458 36.722 ( -0.123 -0.001 -38.686) 38.686 80.126 ( 0.013 0.001 28.853) 28.853 85.320 ( -0.180 -0.007 -14.439) 14.440 ======================= Grid point 570 (176/511) ======================= q-point: (-0.56 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.755 ( -24.840 -4.593 18.767) 31.469 4.997 ( -1.936 0.417 23.583) 23.666 5.999 ( 13.397 -4.353 19.081) 23.717 6.101 ( -18.916 0.867 15.922) 24.740 7.022 ( 20.342 5.102 20.171) 29.098 8.808 ( -0.839 -2.202 -10.657) 10.914 9.619 ( -9.009 -0.657 19.631) 21.609 10.003 ( -6.680 2.181 6.077) 9.290 10.112 ( -2.105 -1.716 -3.118) 4.135 10.311 ( 5.474 2.540 -3.421) 6.937 11.585 ( -15.140 6.129 -11.961) 20.245 12.202 ( 17.952 -5.703 -19.616) 27.195 13.175 ( -3.062 -0.057 -12.825) 13.186 13.468 ( -3.019 -1.024 -19.287) 19.549 14.006 ( -6.864 -1.135 -4.531) 8.303 14.530 ( -1.370 2.294 -6.022) 6.588 17.192 ( 2.335 -0.433 46.178) 46.239 17.413 ( 10.035 -1.993 44.973) 46.122 25.540 ( 0.816 0.068 44.619) 44.626 30.312 ( -4.652 0.077 12.312) 13.162 33.012 ( -6.883 -0.086 -7.629) 10.276 36.741 ( 1.963 -0.113 -38.810) 38.860 80.139 ( 1.382 -0.026 29.415) 29.448 85.376 ( 6.115 -0.007 -14.589) 15.819 ======================= Grid point 571 (177/511) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.282 ( -26.037 -5.643 16.192) 31.176 4.960 ( -3.772 2.630 23.193) 23.644 5.666 ( -20.145 -2.543 19.788) 28.352 6.300 ( 9.189 -7.513 14.800) 18.972 7.339 ( 15.568 7.609 16.262) 23.764 8.811 ( -0.537 -3.362 -9.737) 10.315 9.346 ( -20.633 1.176 22.649) 30.660 9.711 ( -19.649 4.772 14.509) 24.887 10.109 ( 0.840 -1.846 -3.712) 4.229 10.468 ( 10.535 0.539 -5.243) 11.780 11.306 ( -10.013 4.130 -8.742) 13.919 12.531 ( 12.009 -2.803 -29.146) 31.648 13.088 ( -7.801 -1.210 -16.867) 18.623 13.388 ( -4.041 1.961 -15.158) 15.809 13.899 ( -3.528 -4.018 -0.097) 5.348 14.501 ( 1.417 4.167 -4.663) 6.412 17.306 ( 8.543 -0.186 42.764) 43.609 17.654 ( 12.557 -5.870 44.155) 46.279 25.562 ( 1.532 0.070 44.882) 44.908 30.181 ( -8.719 0.177 11.795) 14.669 32.819 ( -13.037 -0.282 -7.939) 15.267 36.798 ( 3.824 -0.247 -39.064) 39.252 80.181 ( 2.968 -0.343 31.043) 31.187 85.559 ( 13.046 1.122 -15.305) 20.142 ======================= Grid point 572 (178/511) ======================= q-point: (-0.44 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.796 ( -27.135 -4.042 12.539) 30.164 4.735 ( -16.926 9.597 23.386) 30.422 5.431 ( -6.130 -8.403 19.975) 22.521 6.393 ( -6.249 -13.162 12.968) 19.505 7.530 ( 7.127 9.019 9.422) 14.863 8.748 ( -17.351 0.591 5.480) 18.206 8.861 ( -16.803 3.562 10.844) 20.313 9.291 ( -19.769 0.046 18.912) 27.359 10.155 ( 2.633 -1.525 -1.481) 3.384 10.673 ( 9.729 -0.718 -0.308) 9.760 11.164 ( -3.296 3.016 -5.060) 6.750 12.647 ( -0.979 -0.924 -34.718) 34.744 12.832 ( -18.860 -0.009 -21.260) 28.420 13.354 ( 3.183 5.511 -9.832) 11.711 13.941 ( 4.567 -6.036 -0.239) 7.572 14.588 ( 10.475 5.017 -5.519) 12.859 17.497 ( 10.851 0.735 39.137) 40.620 17.953 ( 14.127 -11.770 43.959) 47.650 25.599 ( 2.338 -0.095 45.408) 45.468 29.982 ( -11.514 0.276 10.985) 15.916 32.520 ( -17.881 -0.682 -8.388) 19.762 36.888 ( 5.259 -0.349 -39.460) 39.810 80.263 ( 5.277 -1.321 33.940) 34.373 85.864 ( 19.836 4.727 -16.973) 26.531 ======================= Grid point 573 (179/511) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -28.783 -0.518 10.726) 30.721 4.281 ( -22.817 12.666 25.582) 36.544 5.450 ( 1.182 -11.370 19.665) 22.746 6.127 ( -29.548 -14.396 13.953) 35.708 7.409 ( -17.804 10.423 1.520) 20.687 8.329 ( -11.866 2.743 19.624) 23.096 8.551 ( -18.941 4.860 10.120) 22.018 9.112 ( -1.261 -7.294 9.882) 12.347 10.204 ( 1.490 -0.433 1.258) 1.998 10.808 ( 2.485 -1.104 6.442) 6.992 11.123 ( 0.125 3.119 -1.836) 3.622 12.377 ( -25.741 0.845 -23.232) 34.685 12.583 ( -5.183 0.011 -32.366) 32.778 13.423 ( 6.464 9.031 -11.463) 15.960 14.099 ( 8.016 -6.772 -3.428) 11.040 14.845 ( 17.842 5.896 -8.182) 20.495 17.701 ( 10.324 0.746 37.259) 38.670 18.323 ( 16.870 -17.505 43.308) 49.665 25.656 ( 3.400 -0.549 46.287) 46.415 29.745 ( -12.602 0.359 10.040) 16.116 32.147 ( -20.916 -1.341 -8.999) 22.809 37.000 ( 6.087 -0.316 -40.008) 40.470 80.407 ( 8.774 -3.436 38.423) 39.561 86.266 ( 25.561 11.836 -20.024) 34.561 ======================= Grid point 574 (180/511) ======================= q-point: (-0.31 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -27.705 2.572 12.696) 30.584 3.754 ( -25.079 14.262 28.557) 40.594 5.353 ( -40.129 -3.104 23.458) 46.586 5.616 ( -4.188 -18.862 19.359) 27.351 6.810 ( -36.158 6.364 -1.452) 36.743 8.185 ( -9.033 -2.325 11.778) 15.024 8.300 ( 0.302 6.829 15.459) 16.903 9.192 ( 4.292 -7.631 7.917) 11.804 10.206 ( -1.247 0.890 2.808) 3.199 10.735 ( -10.616 -0.962 9.617) 14.357 11.118 ( -0.176 4.849 -0.438) 4.872 11.844 ( -27.857 0.589 -23.690) 36.572 12.518 ( -1.135 -0.005 -26.210) 26.234 13.491 ( 5.654 11.888 -14.220) 19.378 14.303 ( 8.943 -8.202 -5.907) 13.496 15.175 ( 18.807 7.236 -10.753) 22.841 17.882 ( 8.462 -0.491 36.925) 37.885 18.780 ( 20.394 -22.020 41.414) 51.146 25.740 ( 4.976 -1.526 47.534) 47.818 29.504 ( -11.776 0.411 9.134) 14.908 31.739 ( -21.930 -2.140 -9.676) 24.065 37.121 ( 6.135 -0.013 -40.720) 41.179 80.649 ( 13.821 -7.636 44.414) 47.137 86.716 ( 29.301 22.778 -25.115) 44.812 ======================= Grid point 575 (181/511) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -21.456 4.124 19.531) 29.306 3.143 ( -32.342 12.919 29.158) 45.421 4.481 ( -41.246 4.733 41.165) 58.465 5.730 ( 0.451 -17.056 15.892) 23.317 6.071 ( -34.590 -0.366 0.747) 34.600 8.083 ( -1.964 -0.227 10.250) 10.439 8.344 ( 5.145 3.271 10.866) 12.460 9.328 ( 5.659 -7.139 9.944) 13.486 10.153 ( -3.255 2.216 2.849) 4.860 10.452 ( -17.701 -1.382 7.215) 19.165 10.924 ( -20.424 10.501 -13.394) 26.586 11.418 ( -12.329 -2.166 -5.662) 13.739 12.530 ( 1.871 0.038 -18.249) 18.345 13.522 ( 3.978 12.855 -17.241) 21.871 14.509 ( 7.488 -9.424 -6.912) 13.880 15.470 ( 15.029 8.025 -12.406) 21.075 18.030 ( 6.121 -1.830 36.677) 37.229 19.321 ( 22.756 -27.017 37.231) 51.321 25.869 ( 7.219 -3.655 48.625) 49.293 29.298 ( -9.106 0.424 8.416) 12.407 31.335 ( -20.788 -2.509 -9.792) 23.116 37.231 ( 5.232 0.664 -41.613) 41.946 81.029 ( 19.698 -16.017 50.033) 56.105 87.148 ( 29.811 36.964 -33.515) 58.123 ======================= Grid point 576 (182/511) ======================= q-point: (-0.19 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -10.623 4.064 29.853) 31.946 2.397 ( -35.600 8.535 32.345) 48.851 3.852 ( -18.282 14.909 58.518) 63.094 5.406 ( -23.565 -2.140 -3.803) 23.965 5.933 ( 1.969 -19.207 19.582) 27.500 8.077 ( 1.162 3.816 7.918) 8.867 8.474 ( 9.277 -1.533 11.056) 14.514 9.455 ( 2.249 -6.686 12.490) 14.344 10.029 ( -9.921 6.575 -3.709) 12.466 10.151 ( -10.382 -0.870 5.479) 11.771 10.365 ( -24.686 9.662 -7.980) 27.684 11.309 ( -2.733 0.143 6.401) 6.961 12.568 ( 1.626 0.105 -11.982) 12.092 13.519 ( 2.103 12.160 -20.222) 23.690 14.672 ( 4.255 -9.724 -7.241) 12.849 15.659 ( 8.252 8.005 -12.950) 17.317 18.133 ( 3.348 -2.374 35.466) 35.703 19.889 ( 18.810 -33.754 28.073) 47.763 26.052 ( 8.168 -7.921 47.408) 48.754 29.158 ( -4.966 0.398 7.979) 9.406 30.984 ( -15.459 -1.356 -7.738) 17.341 37.308 ( 3.148 1.637 -42.550) 42.697 81.545 ( 19.974 -30.512 49.777) 61.706 87.452 ( 22.368 52.014 -45.647) 72.728 ======================= Grid point 577 (183/511) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 826 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -0.000 2.515 37.373) 37.458 1.946 ( -0.000 6.367 39.574) 40.083 3.600 ( -0.000 17.600 65.435) 67.760 5.178 ( 0.000 -2.878 -4.150) 5.050 6.052 ( 0.000 -18.061 18.854) 26.109 8.061 ( -0.000 8.015 6.256) 10.168 8.647 ( 0.000 -8.191 11.587) 14.190 9.420 ( 0.000 -0.291 9.202) 9.206 9.899 ( -0.000 14.124 6.340) 15.482 9.968 ( 0.000 -0.103 -0.491) 0.502 10.141 ( -0.000 0.523 4.153) 4.186 11.279 ( -0.000 0.661 7.944) 7.972 12.584 ( -0.000 0.101 -9.642) 9.643 13.484 ( -0.000 10.657 -22.168) 24.597 14.760 ( 0.000 -8.944 -7.636) 11.760 15.702 ( -0.000 7.356 -12.561) 14.557 18.177 ( 0.000 -1.932 33.326) 33.382 20.272 ( 0.000 -36.020 17.892) 40.219 26.200 ( 0.000 -11.283 43.408) 44.850 29.108 ( -0.000 0.341 7.851) 7.859 30.819 ( -0.000 0.170 -4.937) 4.940 37.329 ( -0.000 2.325 -42.685) 42.748 81.961 ( 0.000 -41.471 42.546) 59.415 87.405 ( -0.000 60.166 -48.922) 77.545 ======================= Grid point 582 (184/511) ======================= q-point: ( 0.19 0.19 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.522 ( 30.259 -0.000 13.726) 33.226 4.877 ( 12.337 -0.000 18.785) 22.474 5.725 ( 10.169 -0.000 14.800) 17.957 6.636 ( -24.355 0.000 20.115) 31.588 7.021 ( -8.435 0.000 10.023) 13.100 8.872 ( 1.781 -0.000 -8.171) 8.363 9.354 ( 35.207 -0.000 24.049) 42.637 9.512 ( 10.722 -0.000 26.789) 28.855 10.175 ( -1.257 0.000 -5.059) 5.213 10.469 ( -12.561 0.000 -10.395) 16.305 11.151 ( 6.214 -0.000 -9.746) 11.559 12.605 ( -7.402 0.000 -26.665) 27.673 13.209 ( 13.558 -0.000 -19.996) 24.159 13.259 ( 3.667 -0.000 -13.757) 14.238 14.049 ( -0.277 0.000 -0.793) 0.840 14.343 ( 0.476 -0.000 -1.914) 1.972 17.314 ( -7.290 0.000 42.382) 43.004 17.870 ( -21.181 0.000 38.844) 44.243 25.560 ( -1.677 0.000 45.104) 45.135 30.174 ( 8.884 -0.000 11.519) 14.547 32.830 ( 12.504 -0.000 -7.815) 14.745 36.807 ( -4.012 0.000 -38.796) 39.003 80.195 ( -4.086 0.000 31.433) 31.697 85.513 ( -8.853 0.000 -14.500) 16.989 ======================= Grid point 583 (185/511) ======================= q-point: ( 0.25 0.19 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.971 ( 0.331 0.572 18.768) 18.779 5.078 ( 26.904 1.662 14.015) 30.381 5.900 ( -11.973 -1.573 12.149) 17.130 6.250 ( 3.979 1.061 28.294) 28.592 6.807 ( -13.979 -0.991 15.441) 20.852 8.862 ( -1.887 0.070 -9.740) 9.921 9.673 ( 5.652 0.355 24.778) 25.417 9.920 ( 21.040 -0.459 17.626) 27.451 10.158 ( 0.257 0.216 -6.059) 6.068 10.245 ( -9.945 -0.062 -12.576) 16.033 11.345 ( 14.048 -1.140 -12.108) 18.581 12.378 ( -15.192 0.586 -19.186) 24.479 13.296 ( 0.309 2.250 -13.786) 13.972 13.392 ( 5.329 -2.037 -19.307) 20.132 14.082 ( 2.624 0.510 -5.445) 6.066 14.425 ( 6.298 -0.551 -3.605) 7.278 17.221 ( -1.896 0.177 45.711) 45.751 17.496 ( -16.715 0.387 42.255) 45.443 25.537 ( -0.723 -0.013 44.716) 44.722 30.308 ( 4.846 -0.021 12.132) 13.064 33.016 ( 6.598 0.023 -7.469) 9.966 36.746 ( -2.224 0.025 -38.670) 38.734 80.141 ( -1.673 0.010 29.420) 29.467 85.376 ( -5.229 -0.011 -14.500) 15.414 ======================= Grid point 584 (186/511) ======================= q-point: ( 0.31 0.19 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.940 ( -3.045 -1.334 19.261) 19.546 5.332 ( -20.618 7.257 21.998) 31.011 5.615 ( 14.265 -6.676 15.623) 22.184 6.491 ( -18.277 -0.314 18.013) 25.663 6.633 ( 23.602 1.164 22.298) 32.490 8.819 ( -2.246 -0.473 -10.713) 10.956 9.714 ( -1.680 -0.343 20.735) 20.806 10.081 ( -1.302 2.417 -4.325) 5.123 10.122 ( -1.945 -1.676 -6.674) 7.151 10.250 ( 6.441 0.293 7.263) 9.712 11.690 ( 19.468 -0.466 -14.705) 24.402 12.046 ( -17.486 -0.060 -14.209) 22.531 13.253 ( -3.082 1.951 -12.136) 12.672 13.460 ( 1.013 -2.038 -19.069) 19.204 14.095 ( -1.969 0.278 -7.571) 7.828 14.531 ( 3.482 0.041 -6.365) 7.255 17.231 ( -1.899 1.747 46.874) 46.945 17.267 ( -1.439 -1.738 45.450) 45.506 25.532 ( 0.107 0.003 44.562) 44.562 30.357 ( 0.118 -0.004 12.434) 12.435 33.080 ( -0.111 0.003 -7.458) 7.459 36.722 ( -0.160 -0.001 -38.685) 38.686 80.126 ( 0.017 0.000 28.853) 28.853 85.320 ( -0.235 -0.005 -14.438) 14.440 ======================= Grid point 585 (187/511) ======================= q-point: (-0.62 0.19 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.718 ( -24.803 -2.883 19.197) 31.497 5.002 ( -3.154 0.541 24.641) 24.848 5.958 ( 9.839 -3.581 19.303) 21.960 6.110 ( -16.196 0.787 15.147) 22.190 7.065 ( 21.322 3.534 21.218) 30.287 8.787 ( -1.532 -1.771 -11.164) 11.407 9.615 ( -8.656 -0.295 18.777) 20.679 10.025 ( -5.490 2.312 3.385) 6.852 10.093 ( -2.323 -2.002 -2.471) 3.938 10.333 ( 5.019 1.875 -1.351) 5.525 11.640 ( -16.593 4.785 -11.649) 20.831 12.150 ( 19.730 -4.716 -19.934) 28.441 13.178 ( -3.888 0.496 -13.042) 13.618 13.456 ( -2.186 -1.260 -18.580) 18.750 13.997 ( -7.668 -0.633 -4.796) 9.066 14.549 ( -0.534 1.548 -6.454) 6.659 17.189 ( 2.100 -0.224 46.088) 46.136 17.396 ( 9.123 -1.400 45.644) 46.568 25.541 ( 0.834 0.047 44.600) 44.608 30.313 ( -4.617 0.050 12.344) 13.179 33.011 ( -6.932 -0.056 -7.659) 10.330 36.740 ( 1.914 -0.077 -38.835) 38.882 80.139 ( 1.336 -0.016 29.415) 29.445 85.376 ( 6.256 -0.011 -14.600) 15.884 ======================= Grid point 586 (188/511) ======================= q-point: (-0.56 0.19 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.233 ( -25.827 -4.119 16.826) 31.099 4.985 ( -0.799 2.356 24.561) 24.687 5.641 ( -22.197 -2.518 20.585) 30.378 6.236 ( 6.671 -5.430 13.909) 16.354 7.406 ( 16.128 5.895 17.926) 24.823 8.777 ( -0.914 -3.227 -10.735) 11.246 9.358 ( -18.832 1.218 21.703) 28.760 9.753 ( -19.948 3.672 11.864) 23.498 10.092 ( 0.977 -1.526 -2.845) 3.373 10.473 ( 9.692 0.618 -3.963) 10.489 11.342 ( -11.022 3.200 -8.519) 14.294 12.505 ( 13.300 -2.473 -29.713) 32.647 13.079 ( -7.685 -0.564 -16.995) 18.660 13.404 ( -2.154 1.374 -14.758) 14.978 13.863 ( -5.062 -3.167 -0.005) 5.971 14.538 ( 1.911 3.226 -5.336) 6.521 17.304 ( 8.978 -0.121 42.875) 43.805 17.602 ( 10.352 -4.547 45.455) 46.840 25.563 ( 1.503 0.058 44.829) 44.854 30.183 ( -8.679 0.134 11.860) 14.697 32.817 ( -13.151 -0.210 -7.972) 15.380 36.796 ( 3.770 -0.194 -39.125) 39.306 80.178 ( 2.721 -0.253 30.953) 31.074 85.569 ( 13.961 0.825 -15.472) 20.856 ======================= Grid point 587 (189/511) ======================= q-point: (-0.50 0.19 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.759 ( -25.644 -3.430 12.015) 28.526 4.834 ( -14.023 10.493 24.207) 29.878 5.346 ( -8.576 -8.980 21.316) 24.669 6.275 ( -7.867 -10.733 13.247) 18.777 7.612 ( 7.427 7.475 10.797) 15.086 8.741 ( -10.145 -1.741 -2.509) 10.594 8.899 ( -20.579 4.123 16.179) 26.500 9.293 ( -23.981 0.265 17.283) 29.561 10.140 ( 2.965 -1.314 -1.263) 3.481 10.667 ( 9.393 -0.484 0.877) 9.446 11.192 ( -3.469 2.638 -4.602) 6.337 12.636 ( -0.571 -1.100 -35.360) 35.381 12.833 ( -17.986 0.238 -21.112) 27.736 13.409 ( 4.938 5.453 -10.313) 12.668 13.882 ( 4.138 -5.874 0.270) 7.190 14.635 ( 10.681 4.367 -6.507) 13.248 17.506 ( 11.426 1.117 39.434) 41.071 17.842 ( 11.087 -10.568 46.186) 48.660 25.599 ( 2.210 -0.068 45.292) 45.346 29.985 ( -11.474 0.233 11.065) 15.942 32.514 ( -18.105 -0.553 -8.342) 19.942 36.885 ( 5.226 -0.316 -39.568) 39.913 80.251 ( 4.638 -1.082 33.563) 33.899 85.907 ( 22.141 3.852 -17.656) 28.579 ======================= Grid point 588 (190/511) ======================= q-point: (-0.44 0.19 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( -26.489 0.124 8.294) 27.757 4.405 ( -22.079 12.427 25.119) 35.678 5.340 ( 0.522 -10.682 21.649) 24.146 5.991 ( -28.497 -13.003 14.061) 34.335 7.506 ( -18.026 9.214 1.027) 20.271 8.352 ( -15.409 1.579 19.466) 24.877 8.600 ( -17.176 5.277 10.331) 20.727 9.038 ( -2.460 -7.684 8.814) 11.949 10.198 ( 1.976 -0.704 0.842) 2.260 10.798 ( 2.447 -1.011 7.314) 7.779 11.155 ( 0.536 3.231 -0.892) 3.395 12.389 ( -24.963 1.557 -23.599) 34.387 12.579 ( -5.422 -0.711 -32.295) 32.755 13.511 ( 8.061 8.629 -11.950) 16.800 14.034 ( 7.698 -6.318 -2.809) 10.347 14.901 ( 18.417 5.464 -9.890) 21.607 17.710 ( 9.798 1.030 39.345) 40.560 18.153 ( 14.529 -16.631 45.003) 50.129 25.651 ( 3.098 -0.467 46.073) 46.180 29.748 ( -12.568 0.330 10.108) 16.131 32.135 ( -21.250 -1.149 -8.731) 23.002 36.997 ( 6.117 -0.366 -40.182) 40.647 80.376 ( 7.446 -2.990 37.498) 38.347 86.376 ( 29.651 10.288 -21.841) 38.237 ======================= Grid point 589 (191/511) ======================= q-point: (-0.38 0.19 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -25.282 4.971 8.026) 26.987 3.891 ( -24.920 13.417 26.944) 39.077 5.309 ( -41.090 -6.461 22.350) 47.219 5.441 ( -0.634 -15.593 20.507) 25.770 6.874 ( -38.777 6.745 -1.567) 39.390 8.135 ( -10.883 -6.772 13.545) 18.648 8.391 ( 0.672 10.294 17.513) 20.326 9.114 ( 4.334 -8.062 5.739) 10.803 10.211 ( -0.823 0.271 2.182) 2.347 10.726 ( -10.511 -0.841 9.788) 14.388 11.163 ( 1.150 4.274 1.363) 4.631 11.859 ( -27.905 2.340 -24.812) 37.414 12.514 ( -1.262 -0.680 -26.040) 26.079 13.607 ( 6.718 11.498 -14.150) 19.431 14.225 ( 8.272 -7.510 -5.154) 12.304 15.246 ( 19.422 7.001 -12.932) 24.361 17.873 ( 7.095 -1.574 41.695) 42.323 18.567 ( 18.647 -20.584 41.544) 49.973 25.726 ( 4.323 -1.369 47.214) 47.431 29.508 ( -11.751 0.409 9.164) 14.908 31.719 ( -22.224 -1.880 -9.005) 24.053 37.119 ( 6.266 -0.239 -40.988) 41.465 80.577 ( 11.201 -6.797 42.799) 44.759 86.931 ( 35.038 20.465 -28.923) 49.830 ======================= Grid point 590 (192/511) ======================= q-point: (-0.31 0.19 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -19.209 9.093 12.498) 24.655 3.269 ( -34.344 12.330 26.392) 45.035 4.514 ( -36.118 1.553 38.759) 53.002 5.560 ( 2.159 -16.650 18.852) 25.245 6.074 ( -39.221 1.067 -1.059) 39.250 8.032 ( -3.670 -8.820 11.564) 15.000 8.418 ( 5.964 10.443 14.636) 18.943 9.256 ( 5.964 -7.432 7.969) 12.422 10.170 ( -2.751 1.303 2.493) 3.934 10.441 ( -17.737 -0.814 6.792) 19.011 11.019 ( -19.273 8.131 -13.821) 25.072 11.412 ( -11.312 1.234 -6.194) 12.956 12.529 ( 1.901 -0.356 -17.988) 18.092 13.653 ( 4.304 13.226 -16.212) 21.361 14.415 ( 6.866 -9.338 -6.068) 13.083 15.550 ( 15.325 8.086 -14.536) 22.617 18.002 ( 4.879 -3.973 43.175) 43.631 19.060 ( 20.150 -25.134 37.158) 49.177 25.835 ( 5.805 -3.305 48.423) 48.882 29.302 ( -9.092 0.457 8.401) 12.387 31.311 ( -20.588 -2.183 -8.670) 22.446 37.235 ( 5.457 0.142 -42.021) 42.374 80.880 ( 14.825 -14.009 48.409) 52.530 87.496 ( 36.120 33.116 -40.288) 63.439 ======================= Grid point 591 (193/511) ======================= q-point: (-0.25 0.19 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -9.205 10.851 20.996) 25.363 2.485 ( -36.829 9.050 30.229) 48.498 3.996 ( -14.249 13.427 54.395) 57.811 5.385 ( -24.617 -2.047 -2.911) 24.873 5.733 ( 0.645 -20.679 19.223) 28.242 8.054 ( 0.622 -8.096 9.574) 12.553 8.509 ( 8.265 8.108 14.785) 18.779 9.394 ( 3.817 -5.645 10.830) 12.796 10.076 ( -9.183 3.260 -2.398) 10.035 10.145 ( -7.598 -0.352 4.522) 8.848 10.464 ( -26.497 9.921 -15.620) 32.318 11.323 ( -1.233 2.795 7.287) 7.901 12.568 ( 1.678 0.017 -11.863) 11.981 13.647 ( 2.064 13.470 -18.256) 22.781 14.571 ( 3.925 -10.559 -6.278) 12.896 15.741 ( 8.325 8.473 -14.840) 19.009 18.098 ( 2.692 -4.875 42.438) 42.802 19.557 ( 15.410 -32.272 31.240) 47.485 25.978 ( 5.900 -7.018 48.522) 49.380 29.163 ( -4.961 0.468 7.931) 9.367 30.972 ( -14.413 -1.115 -6.830) 15.989 37.320 ( 3.377 0.768 -43.182) 43.321 81.266 ( 13.685 -25.666 51.281) 58.955 87.937 ( 26.980 45.241 -56.091) 76.947 ======================= Grid point 592 (194/511) ======================= q-point: (-0.19 0.19 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -0.000 8.754 28.544) 29.856 2.019 ( -0.000 8.248 37.573) 38.468 3.784 ( -0.000 18.932 61.202) 64.063 5.145 ( 0.000 -3.872 -3.931) 5.518 5.854 ( 0.000 -21.540 18.922) 28.671 8.094 ( 0.000 -2.766 7.918) 8.388 8.605 ( -0.000 0.743 15.429) 15.446 9.416 ( 0.000 -0.376 9.150) 9.158 9.967 ( 0.000 -0.115 -0.488) 0.502 10.039 ( -0.000 13.823 -7.216) 15.593 10.147 ( -0.000 0.660 4.160) 4.212 11.296 ( -0.000 2.841 8.716) 9.167 12.585 ( -0.000 0.132 -9.627) 9.628 13.602 ( -0.000 13.006 -19.916) 23.786 14.662 ( 0.000 -10.657 -6.634) 12.553 15.780 ( -0.000 8.432 -14.237) 16.547 18.148 ( 0.000 -4.157 39.409) 39.628 19.899 ( 0.000 -37.963 25.850) 45.928 26.091 ( 0.000 -10.465 46.939) 48.092 29.112 ( -0.000 0.446 7.797) 7.810 30.821 ( -0.000 0.221 -4.898) 4.903 37.349 ( -0.000 1.470 -43.659) 43.684 81.575 ( 0.000 -35.710 49.825) 61.300 87.976 ( -0.000 53.865 -63.820) 83.513 ======================= Grid point 599 (195/511) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 826 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.934 ( -3.446 0.000 19.048) 19.357 5.375 ( -29.701 0.000 23.115) 37.636 5.575 ( 22.990 -0.000 14.676) 27.274 6.489 ( -18.617 0.000 18.056) 25.934 6.639 ( 24.374 -0.000 22.375) 33.087 8.817 ( -2.450 0.000 -10.753) 11.029 9.712 ( -1.745 0.000 20.580) 20.654 10.103 ( 0.739 -0.000 -2.563) 2.668 10.104 ( -4.297 0.000 -8.633) 9.644 10.251 ( 6.949 -0.000 7.559) 10.268 11.688 ( 20.953 -0.000 -14.554) 25.511 12.046 ( -18.803 0.000 -14.341) 23.648 13.264 ( -3.555 0.000 -12.220) 12.726 13.449 ( 1.311 -0.000 -18.852) 18.898 14.097 ( -2.130 0.000 -7.707) 7.996 14.531 ( 3.771 -0.000 -6.368) 7.401 17.248 ( -8.328 0.000 45.619) 46.373 17.250 ( 4.715 -0.000 46.699) 46.936 25.532 ( 0.116 -0.000 44.561) 44.561 30.357 ( 0.128 -0.000 12.435) 12.435 33.080 ( -0.120 0.000 -7.458) 7.459 36.722 ( -0.174 0.000 -38.685) 38.686 80.126 ( 0.018 -0.000 28.853) 28.853 85.320 ( -0.254 0.000 -14.437) 14.439 ======================= Grid point 600 (196/511) ======================= q-point: (-0.69 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.699 ( -24.747 -0.979 19.404) 31.462 5.006 ( -3.968 0.244 25.246) 25.557 5.933 ( 8.756 -1.337 19.039) 20.998 6.115 ( -15.410 0.267 15.116) 21.587 7.090 ( 21.845 1.267 21.839) 30.915 8.775 ( -1.941 -0.682 -11.509) 11.692 9.613 ( -8.414 -0.076 18.351) 20.188 10.048 ( -5.441 2.144 1.933) 6.159 10.073 ( -1.966 -2.029 -2.115) 3.529 10.346 ( 4.841 0.685 -0.269) 4.897 11.674 ( -18.126 1.909 -11.301) 21.446 12.115 ( 21.442 -1.925 -20.278) 29.575 13.182 ( -4.467 0.295 -13.246) 13.982 13.446 ( -1.601 -0.572 -18.069) 18.149 13.993 ( -8.102 -0.199 -4.989) 9.517 14.560 ( -0.083 0.547 -6.693) 6.715 17.188 ( 1.919 -0.064 46.000) 46.040 17.387 ( 8.679 -0.507 46.048) 46.861 25.541 ( 0.844 0.017 44.590) 44.598 30.313 ( -4.597 0.017 12.362) 13.189 33.011 ( -6.958 -0.019 -7.675) 10.359 36.739 ( 1.887 -0.027 -38.848) 38.894 80.139 ( 1.312 -0.005 29.414) 29.443 85.376 ( 6.330 -0.005 -14.605) 15.918 ======================= Grid point 601 (197/511) ======================= q-point: (-0.62 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.202 ( -25.784 -2.163 17.256) 31.101 5.004 ( 1.549 1.446 25.626) 25.713 5.620 ( -23.705 -1.633 20.924) 31.661 6.195 ( 4.970 -2.817 13.361) 14.531 7.452 ( 16.491 3.256 19.236) 25.546 8.751 ( -1.254 -1.994 -11.679) 11.914 9.368 ( -17.698 0.760 21.093) 27.545 9.781 ( -20.243 2.017 9.997) 22.667 10.080 ( 1.261 -0.886 -2.101) 2.606 10.479 ( 9.053 0.406 -3.092) 9.575 11.367 ( -11.766 1.753 -8.357) 14.538 12.485 ( 14.251 -1.462 -30.088) 33.325 13.076 ( -7.709 -0.184 -17.184) 18.835 13.415 ( -0.512 0.715 -14.426) 14.452 13.838 ( -6.360 -1.760 0.051) 6.599 14.563 ( 2.261 1.763 -5.808) 6.477 17.304 ( 9.337 -0.053 42.955) 43.958 17.567 ( 8.797 -2.486 46.340) 47.233 25.563 ( 1.485 0.033 44.793) 44.818 30.184 ( -8.653 0.072 11.903) 14.716 32.815 ( -13.225 -0.111 -7.995) 15.455 36.794 ( 3.733 -0.106 -39.164) 39.342 80.176 ( 2.560 -0.134 30.893) 30.999 85.575 ( 14.559 0.434 -15.579) 21.327 ======================= Grid point 602 (198/511) ======================= q-point: (-0.56 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.730 ( -24.501 -2.299 11.643) 27.224 4.940 ( -10.899 10.826 24.864) 29.227 5.254 ( -11.076 -9.540 22.424) 26.768 6.186 ( -9.259 -7.081 13.313) 17.695 7.674 ( 7.609 5.080 12.126) 15.191 8.720 ( -6.721 -2.217 -6.661) 9.719 8.937 ( -21.388 3.373 18.215) 28.295 9.294 ( -27.296 0.070 15.837) 31.557 10.129 ( 3.169 -0.864 -1.063) 3.453 10.663 ( 9.112 -0.263 1.825) 9.297 11.214 ( -3.534 1.795 -4.252) 5.813 12.626 ( -0.139 -0.854 -35.921) 35.932 12.836 ( -17.444 0.236 -20.906) 27.229 13.459 ( 6.511 4.487 -11.329) 13.815 13.828 ( 3.638 -4.766 1.255) 6.126 14.672 ( 10.868 3.005 -7.378) 13.475 17.519 ( 12.419 1.455 39.457) 41.391 17.750 ( 8.175 -7.831 48.175) 49.487 25.598 ( 2.116 -0.040 45.203) 45.253 29.987 ( -11.444 0.155 11.127) 15.962 32.510 ( -18.265 -0.357 -8.313) 20.071 36.882 ( 5.192 -0.221 -39.648) 39.987 80.242 ( 4.166 -0.704 33.277) 33.544 85.938 ( 23.833 2.496 -18.151) 30.061 ======================= Grid point 603 (199/511) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( -24.046 0.460 6.193) 24.835 4.519 ( -22.606 10.386 23.969) 34.546 5.245 ( 0.942 -8.277 24.338) 25.724 5.875 ( -28.037 -10.410 14.171) 33.095 7.588 ( -17.725 7.246 0.199) 19.150 8.358 ( -19.828 -0.254 18.662) 27.230 8.658 ( -14.431 6.452 11.637) 19.629 8.962 ( -3.568 -7.765 7.716) 11.513 10.191 ( 2.310 -0.664 0.365) 2.431 10.789 ( 2.332 -0.780 8.145) 8.508 11.185 ( 0.860 2.623 -0.052) 2.761 12.407 ( -24.191 1.938 -23.644) 33.882 12.569 ( -5.567 -1.227 -32.538) 33.034 13.589 ( 8.975 7.099 -13.215) 17.481 13.976 ( 7.886 -5.269 -1.364) 9.582 14.950 ( 18.895 4.325 -11.699) 22.640 17.722 ( 8.594 1.525 42.834) 43.714 18.003 ( 13.316 -13.600 44.898) 48.766 25.647 ( 2.859 -0.334 45.891) 45.981 29.751 ( -12.539 0.252 10.165) 16.144 32.125 ( -21.497 -0.826 -8.531) 23.142 36.993 ( 6.111 -0.325 -40.315) 40.777 80.350 ( 6.419 -2.182 36.726) 37.346 86.464 ( 32.810 7.483 -23.239) 40.897 ======================= Grid point 604 (200/511) ======================= q-point: (-0.44 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -22.010 6.210 3.582) 23.148 4.011 ( -25.269 10.543 24.929) 37.028 5.217 ( -39.383 -11.425 19.180) 45.271 5.329 ( -0.509 -7.610 24.878) 26.021 6.941 ( -40.817 6.636 -2.566) 41.433 8.063 ( -13.341 -7.548 15.860) 22.056 8.492 ( 1.449 9.968 20.291) 22.654 9.036 ( 4.630 -7.702 2.757) 9.400 10.212 ( -0.450 -0.039 1.412) 1.483 10.719 ( -10.278 -0.719 10.161) 14.471 11.199 ( 1.144 2.969 2.645) 4.138 11.889 ( -26.992 3.553 -25.214) 37.107 12.505 ( -1.287 -1.179 -26.221) 26.279 13.711 ( 7.408 9.258 -15.141) 19.231 14.159 ( 7.864 -5.798 -3.235) 10.292 15.311 ( 19.965 6.040 -15.540) 26.011 17.850 ( 4.777 -3.214 49.264) 49.599 18.387 ( 18.435 -15.480 38.578) 45.473 25.714 ( 3.803 -1.057 46.905) 47.071 29.512 ( -11.728 0.346 9.193) 14.906 31.703 ( -22.412 -1.420 -8.492) 24.009 37.116 ( 6.302 -0.356 -41.177) 41.658 80.518 ( 9.206 -5.238 41.305) 42.641 87.111 ( 39.332 15.791 -31.820) 52.999 ======================= Grid point 605 (201/511) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -15.817 12.939 5.459) 21.151 3.381 ( -36.238 10.311 23.721) 44.522 4.502 ( -31.943 -4.442 34.767) 47.422 5.416 ( 2.031 -12.145 22.057) 25.261 6.093 ( -41.892 2.737 -1.522) 42.009 7.930 ( -5.415 -11.225 14.064) 18.791 8.527 ( 6.293 11.071 18.520) 22.476 9.185 ( 6.744 -6.801 5.141) 10.870 10.180 ( -2.392 0.736 1.915) 3.151 10.435 ( -17.670 -0.462 6.749) 18.920 11.075 ( -18.774 3.195 -12.922) 23.014 11.447 ( -10.088 5.788 -7.764) 13.984 12.524 ( 2.093 -0.712 -17.943) 18.078 13.776 ( 4.551 11.468 -16.227) 20.385 14.329 ( 6.168 -7.937 -4.107) 10.859 15.627 ( 15.557 7.356 -17.225) 24.349 17.949 ( 3.111 -6.724 52.476) 52.997 18.841 ( 19.137 -18.742 33.457) 42.859 25.805 ( 4.738 -2.599 48.084) 48.387 29.307 ( -9.078 0.421 8.387) 12.366 31.292 ( -20.324 -1.644 -7.843) 21.846 37.234 ( 5.509 -0.282 -42.243) 42.602 80.758 ( 11.381 -10.847 46.411) 49.002 87.788 ( 40.059 25.817 -44.832) 65.431 ======================= Grid point 606 (202/511) ======================= q-point: (-0.31 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -7.056 17.460 11.600) 22.118 2.572 ( -37.527 8.575 28.237) 47.740 4.097 ( -10.807 6.270 48.152) 49.746 5.365 ( -25.517 -2.370 -1.501) 25.671 5.546 ( -1.084 -15.953 20.029) 25.629 7.942 ( -0.491 -13.603 12.082) 18.200 8.607 ( 7.239 10.736 19.468) 23.381 9.344 ( 6.001 -4.423 8.595) 11.378 10.097 ( -11.136 1.275 -0.423) 11.217 10.145 ( -4.354 0.286 2.987) 5.287 10.549 ( -26.395 7.076 -21.630) 34.851 11.365 ( -0.126 5.745 7.197) 9.210 12.568 ( 1.842 -0.094 -11.800) 11.943 13.778 ( 1.980 12.697 -16.902) 21.232 14.468 ( 3.488 -10.041 -4.621) 11.590 15.822 ( 8.355 8.010 -17.230) 20.757 18.034 ( 1.788 -8.106 52.298) 52.953 19.274 ( 13.491 -24.646 29.079) 40.436 25.916 ( 4.336 -5.392 48.773) 49.262 29.167 ( -4.955 0.467 7.881) 9.321 30.962 ( -13.514 -0.777 -6.202) 14.890 37.323 ( 3.412 -0.089 -43.401) 43.535 81.044 ( 9.663 -19.363 50.277) 54.737 88.329 ( 28.784 34.413 -61.324) 75.983 ======================= Grid point 607 (203/511) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 826 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -0.000 16.481 18.229) 24.575 2.104 ( -0.000 8.874 35.385) 36.481 3.952 ( -0.000 14.179 55.307) 57.095 5.104 ( 0.000 -4.348 -3.664) 5.686 5.644 ( 0.000 -20.074 19.750) 28.161 8.010 ( 0.000 -12.912 10.426) 16.596 8.654 ( -0.000 7.965 20.434) 21.931 9.412 ( 0.000 -0.403 9.090) 9.099 9.966 ( 0.000 -0.103 -0.490) 0.501 10.153 ( -0.000 0.686 4.171) 4.228 10.162 ( -0.000 11.034 -19.583) 22.478 11.337 ( -0.000 5.458 9.017) 10.540 12.586 ( -0.000 0.143 -9.610) 9.611 13.733 ( -0.000 13.190 -17.756) 22.119 14.555 ( 0.000 -10.909 -5.296) 12.126 15.864 ( -0.000 8.349 -16.342) 18.351 18.092 ( 0.000 -7.398 48.619) 49.179 19.554 ( 0.000 -31.165 27.390) 41.490 26.000 ( 0.000 -8.095 48.498) 49.168 29.116 ( -0.000 0.483 7.734) 7.749 30.823 ( -0.000 0.240 -4.852) 4.858 37.357 ( -0.000 0.317 -44.003) 44.004 81.267 ( 0.000 -26.976 51.435) 58.080 88.445 ( -0.000 41.190 -70.349) 81.521 ======================= Grid point 616 (204/511) ======================= q-point: (-0.69 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.191 ( -25.785 0.000 17.409) 31.112 5.011 ( 2.470 -0.000 26.039) 26.156 5.611 ( -24.290 0.000 20.990) 32.103 6.181 ( 4.363 -0.000 13.182) 13.886 7.468 ( 16.623 -0.000 19.745) 25.810 8.741 ( -1.390 0.000 -12.075) 12.155 9.372 ( -17.309 0.000 20.886) 27.126 9.791 ( -20.393 0.000 9.310) 22.417 10.075 ( 1.419 -0.000 -1.798) 2.290 10.481 ( 8.815 -0.000 -2.783) 9.244 11.376 ( -12.044 0.000 -8.296) 14.625 12.477 ( 14.606 -0.000 -30.221) 33.565 13.075 ( -7.739 0.000 -17.272) 18.926 13.418 ( 0.155 -0.000 -14.294) 14.295 13.829 ( -6.884 0.000 0.070) 6.884 14.572 ( 2.388 -0.000 -5.979) 6.438 17.303 ( 9.482 -0.000 42.984) 44.017 17.554 ( 8.230 -0.000 46.654) 47.374 25.564 ( 1.478 -0.000 44.780) 44.805 30.184 ( -8.643 0.000 11.919) 14.723 32.814 ( -13.251 0.000 -8.003) 15.480 36.794 ( 3.719 -0.000 -39.178) 39.354 80.176 ( 2.504 -0.000 30.872) 30.974 85.577 ( 14.767 -0.000 -15.615) 21.492 ======================= Grid point 618 (205/511) ======================= q-point: (-0.62 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( -23.886 -0.809 11.451) 26.502 5.044 ( -5.062 9.840 25.819) 28.090 5.160 ( -16.443 -9.333 22.476) 29.371 6.138 ( -10.108 -2.481 13.285) 16.877 7.709 ( 7.708 1.823 12.999) 15.222 8.703 ( -5.533 -0.965 -8.483) 10.174 8.961 ( -21.046 1.312 18.798) 28.250 9.294 ( -29.244 -0.035 14.994) 32.864 10.124 ( 3.261 -0.297 -0.943) 3.408 10.662 ( 8.950 -0.082 2.349) 9.253 11.227 ( -3.549 0.635 -4.060) 5.430 12.620 ( 0.151 -0.318 -36.250) 36.252 12.838 ( -17.203 0.092 -20.763) 26.965 13.492 ( 7.613 1.897 -12.506) 14.764 13.793 ( 3.129 -1.995 2.399) 4.419 14.692 ( 10.988 1.075 -7.896) 13.573 17.532 ( 13.828 0.915 38.947) 41.339 17.694 ( 5.713 -3.167 49.810) 50.236 25.598 ( 2.067 -0.013 45.155) 45.203 29.988 ( -11.428 0.054 11.160) 15.973 32.507 ( -18.349 -0.123 -8.299) 20.139 36.880 ( 5.171 -0.080 -39.690) 40.025 80.237 ( 3.917 -0.244 33.123) 33.355 85.955 ( 24.723 0.862 -18.409) 30.836 ======================= Grid point 619 (206/511) ======================= q-point: (-0.56 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( -22.135 0.380 4.743) 22.641 4.602 ( -24.351 6.125 22.336) 33.606 5.181 ( 2.808 -4.504 27.284) 27.796 5.792 ( -28.227 -6.043 14.086) 32.120 7.645 ( -17.178 4.142 -0.610) 17.681 8.351 ( -23.122 -0.884 17.939) 29.278 8.726 ( -12.964 7.194 14.533) 20.761 8.886 ( -3.851 -7.603 5.364) 10.070 10.186 ( 2.507 -0.388 -0.002) 2.537 10.783 ( 2.214 -0.427 8.723) 9.010 11.205 ( 1.040 1.455 0.525) 1.864 12.425 ( -23.839 1.524 -23.230) 33.321 12.557 ( -5.405 -1.110 -33.152) 33.608 13.646 ( 9.101 4.312 -15.310) 18.325 13.933 ( 8.498 -3.316 0.880) 9.164 14.983 ( 19.233 2.426 -13.127) 23.411 17.740 ( 5.925 2.170 49.023) 49.427 17.891 ( 14.359 -8.775 41.103) 44.414 25.644 ( 2.708 -0.173 45.769) 45.850 29.753 ( -12.519 0.136 10.204) 16.151 32.119 ( -21.645 -0.429 -8.410) 23.226 36.991 ( 6.094 -0.191 -40.396) 40.853 80.333 ( 5.777 -1.145 36.215) 36.691 86.520 ( 34.777 3.915 -24.105) 42.495 ======================= Grid point 620 (207/511) ======================= q-point: (-0.50 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -18.646 5.350 -0.066) 19.399 4.094 ( -25.927 6.165 22.989) 35.196 5.117 ( -38.257 -7.888 18.558) 43.246 5.270 ( -0.734 -4.811 27.314) 27.744 7.001 ( -42.171 5.254 -4.106) 42.695 7.993 ( -15.297 -6.161 18.184) 24.549 8.582 ( 1.738 8.070 24.672) 26.016 8.965 ( 5.234 -6.449 -1.671) 8.472 10.211 ( -0.153 -0.100 0.738) 0.760 10.712 ( -10.046 -0.508 10.537) 14.568 11.222 ( 0.356 1.601 3.253) 3.643 11.924 ( -25.686 3.295 -24.896) 35.923 12.493 ( -1.227 -1.194 -26.640) 26.695 13.785 ( 7.534 5.661 -17.587) 19.952 14.113 ( 7.908 -3.351 0.023) 8.589 15.362 ( 20.391 4.208 -18.051) 27.556 17.812 ( 2.113 -3.996 58.162) 58.337 18.269 ( 19.329 -8.547 33.406) 39.530 25.705 ( 3.449 -0.659 46.664) 46.796 29.515 ( -11.710 0.230 9.215) 14.903 31.692 ( -22.513 -0.871 -8.157) 23.961 37.113 ( 6.285 -0.307 -41.291) 41.767 80.476 ( 7.887 -3.276 40.169) 41.067 87.237 ( 42.092 9.843 -33.699) 54.811 ======================= Grid point 621 (208/511) ======================= q-point: (-0.44 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -11.720 13.668 -0.822) 18.023 3.468 ( -37.533 7.160 21.544) 43.865 4.431 ( -30.061 -9.165 30.728) 43.953 5.326 ( 1.442 -6.301 25.184) 26.000 6.125 ( -43.280 3.709 -1.458) 43.463 7.822 ( -6.974 -10.199 16.772) 20.832 8.627 ( 6.110 9.045 23.142) 25.586 9.124 ( 7.854 -5.511 1.310) 9.684 10.185 ( -2.116 0.437 1.294) 2.519 10.432 ( -17.565 -0.268 6.890) 18.870 11.089 ( -18.415 0.131 -11.589) 21.759 11.514 ( -9.290 7.030 -9.379) 14.956 12.516 ( 2.399 -0.852 -18.072) 18.250 13.872 ( 4.781 7.905 -18.389) 20.579 14.263 ( 5.447 -5.311 -0.229) 7.611 15.692 ( 15.714 5.786 -20.171) 26.216 17.875 ( 1.395 -7.946 62.363) 62.882 18.696 ( 19.147 -10.940 28.091) 35.713 25.784 ( 4.023 -1.757 47.736) 47.937 29.310 ( -9.066 0.321 8.375) 12.346 31.279 ( -20.077 -1.068 -7.304) 21.391 37.230 ( 5.462 -0.432 -42.335) 42.688 80.668 ( 9.158 -7.304 44.589) 46.103 88.000 ( 42.191 17.305 -47.471) 65.826 ======================= Grid point 622 (209/511) ======================= q-point: (-0.38 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -4.228 21.369 3.018) 21.992 2.650 ( -37.795 7.097 26.535) 46.722 4.106 ( -8.974 -4.597 40.560) 41.795 5.315 ( -18.267 -7.967 4.048) 20.336 5.458 ( -10.465 -1.357 18.602) 21.386 7.804 ( -1.712 -13.811 14.930) 20.410 8.706 ( 6.116 8.941 24.511) 26.798 9.307 ( 8.127 -3.144 5.963) 10.559 10.105 ( -12.812 0.409 1.159) 12.871 10.149 ( -2.154 0.535 1.571) 2.720 10.602 ( -25.320 3.836 -24.708) 35.585 11.430 ( 0.203 7.012 5.854) 9.136 12.567 ( 2.097 -0.181 -11.791) 11.978 13.891 ( 1.975 10.181 -17.531) 20.369 14.378 ( 2.912 -8.241 -1.276) 8.833 15.896 ( 8.341 6.764 -20.049) 22.744 17.943 ( 0.929 -10.070 62.935) 63.743 19.079 ( 12.758 -15.213 23.825) 31.013 25.872 ( 3.363 -3.705 48.579) 48.837 29.171 ( -4.949 0.396 7.834) 9.274 30.956 ( -12.843 -0.480 -5.809) 14.104 37.320 ( 3.341 -0.553 -43.384) 43.516 80.884 ( 7.227 -13.316 48.355) 50.673 88.613 ( 29.071 23.436 -63.233) 73.436 ======================= Grid point 623 (210/511) ======================= q-point: (-0.31 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -0.000 22.861 8.273) 24.312 2.189 ( -0.000 8.185 33.355) 34.344 4.041 ( -0.000 2.869 47.182) 47.269 5.061 ( 0.000 -4.179 -3.386) 5.379 5.479 ( 0.000 -12.505 22.890) 26.083 7.866 ( 0.000 -15.537 13.284) 20.441 8.737 ( -0.000 8.194 25.670) 26.946 9.409 ( 0.000 -0.369 9.031) 9.038 9.965 ( 0.000 -0.078 -0.496) 0.502 10.160 ( -0.000 0.611 4.187) 4.231 10.254 ( -0.000 7.564 -28.520) 29.506 11.400 ( -0.000 7.042 8.361) 10.931 12.588 ( -0.000 0.132 -9.592) 9.593 13.856 ( -0.000 11.591 -16.877) 20.474 14.452 ( 0.000 -9.904 -2.869) 10.312 15.942 ( -0.000 7.450 -18.916) 20.330 18.003 ( 0.000 -10.259 59.593) 60.470 19.298 ( 0.000 -20.727 23.459) 31.304 25.932 ( 0.000 -5.650 48.818) 49.144 29.121 ( -0.000 0.446 7.671) 7.684 30.825 ( -0.000 0.221 -4.806) 4.811 37.356 ( 0.000 -0.478 -43.954) 43.956 81.042 ( 0.000 -18.901 50.272) 53.708 88.787 ( -0.000 28.570 -71.792) 77.268 ======================= Grid point 634 (211/511) ======================= q-point: (-0.62 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 826 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( -21.407 0.000 4.222) 21.820 4.633 ( -25.513 0.000 21.431) 33.320 5.159 ( 4.125 -0.000 28.745) 29.040 5.761 ( -28.465 0.000 13.985) 31.715 7.666 ( -16.892 0.000 -0.962) 16.920 8.346 ( -24.298 0.000 17.701) 30.062 8.783 ( -18.272 0.000 27.182) 32.752 8.827 ( 1.815 -0.000 -7.047) 7.277 10.184 ( 2.572 -0.000 -0.138) 2.576 10.781 ( 2.165 -0.000 8.929) 9.187 11.212 ( 1.093 -0.000 0.730) 1.315 12.433 ( -23.886 0.000 -22.844) 33.052 12.551 ( -5.158 0.000 -33.609) 34.002 13.669 ( 8.949 -0.000 -16.682) 18.931 13.916 ( 8.908 -0.000 2.311) 9.203 14.996 ( 19.358 -0.000 -13.677) 23.702 17.756 ( 2.081 -0.000 56.597) 56.636 17.842 ( 17.625 -0.000 34.401) 38.654 25.643 ( 2.657 -0.000 45.726) 45.804 29.754 ( -12.513 0.000 10.217) 16.154 32.117 ( -21.694 0.000 -8.370) 23.253 36.990 ( 6.085 -0.000 -40.423) 40.879 80.328 ( 5.558 -0.000 36.037) 36.463 86.540 ( 35.443 -0.000 -24.397) 43.028 ======================= Grid point 636 (212/511) ======================= q-point: (-0.56 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( -16.405 2.149 -2.209) 16.692 4.132 ( -26.483 1.851 21.825) 34.367 5.067 ( -41.265 -2.400 18.391) 45.241 5.236 ( 2.524 -1.959 28.825) 29.001 7.038 ( -42.855 2.072 -5.386) 43.242 7.949 ( -16.329 -2.440 19.819) 25.795 8.642 ( 1.447 3.579 30.354) 30.598 8.916 ( 6.006 -2.992 -7.339) 9.944 10.210 ( 0.014 -0.043 0.347) 0.350 10.709 ( -9.908 -0.185 10.768) 14.634 11.232 ( -0.317 0.488 3.429) 3.478 11.948 ( -24.807 1.355 -24.431) 34.844 12.484 ( -1.149 -0.520 -27.014) 27.044 13.821 ( 7.290 1.792 -20.104) 21.460 14.092 ( 8.229 -0.986 3.016) 8.820 15.391 ( 20.634 1.528 -19.652) 28.536 17.781 ( 0.499 -1.891 63.894) 63.924 18.216 ( 20.027 -2.538 29.823) 36.013 25.701 ( 3.271 -0.223 46.533) 46.648 29.517 ( -11.701 0.081 9.228) 14.902 31.686 ( -22.555 -0.292 -7.994) 23.932 37.111 ( 6.262 -0.120 -41.343) 41.814 80.454 ( 7.236 -1.112 39.558) 40.230 87.302 ( 43.422 3.332 -34.608) 55.626 ======================= Grid point 637 (213/511) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -7.913 9.349 -5.604) 13.469 3.520 ( -38.024 3.427 20.199) 43.192 4.343 ( -30.626 -7.534 28.688) 42.635 5.285 ( 1.085 -2.327 26.925) 27.047 6.159 ( -43.753 2.795 -1.361) 43.863 7.739 ( -8.039 -6.198 18.935) 21.484 8.699 ( 5.513 5.340 28.170) 29.197 9.079 ( 9.033 -3.382 -3.183) 10.157 10.189 ( -1.930 0.221 0.823) 2.109 10.430 ( -17.479 -0.131 7.053) 18.849 11.086 ( -18.184 -0.454 -10.824) 21.166 11.573 ( -8.902 4.473 -10.158) 14.228 12.508 ( 2.696 -0.604 -18.263) 18.471 13.929 ( 5.007 3.590 -22.291) 23.126 14.226 ( 4.839 -2.240 4.860) 7.215 15.737 ( 15.803 3.259 -22.636) 27.798 17.806 ( 0.354 -5.444 69.312) 69.526 18.621 ( 19.316 -4.655 24.263) 31.360 25.771 ( 3.618 -0.880 47.485) 47.631 29.313 ( -9.057 0.173 8.368) 12.332 31.271 ( -19.908 -0.520 -7.006) 21.111 37.226 ( 5.396 -0.301 -42.362) 42.706 80.614 ( 7.923 -3.662 43.344) 44.214 88.128 ( 43.176 8.612 -48.769) 65.702 ======================= Grid point 638 (214/511) ======================= q-point: (-0.44 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -0.989 19.765 -4.185) 20.228 2.708 ( -37.747 4.640 25.215) 45.631 4.020 ( -9.498 -11.358 35.063) 38.061 5.243 ( -13.451 -5.731 8.024) 16.678 5.480 ( -16.235 3.930 18.406) 24.855 7.682 ( -2.657 -10.394 17.518) 20.542 8.779 ( 4.995 5.695 28.944) 29.918 9.282 ( 9.826 -1.883 3.398) 10.566 10.107 ( -13.505 0.151 1.886) 13.637 10.154 ( -1.229 0.397 0.866) 1.555 10.628 ( -24.081 1.657 -25.761) 35.303 11.495 ( 0.057 5.627 4.203) 7.024 12.565 ( 2.376 -0.187 -11.819) 12.057 13.974 ( 2.190 6.374 -21.447) 22.481 14.310 ( 2.185 -5.273 4.704) 7.396 15.953 ( 8.302 4.653 -22.847) 24.750 17.848 ( 0.414 -8.448 71.119) 71.620 18.969 ( 12.538 -7.540 19.277) 24.201 25.843 ( 2.810 -2.146 48.288) 48.418 29.175 ( -4.944 0.264 7.798) 9.237 30.953 ( -12.409 -0.252 -5.583) 13.609 37.314 ( 3.247 -0.557 -43.294) 43.419 80.781 ( 5.847 -7.768 46.595) 47.598 88.794 ( 28.824 13.457 -63.599) 71.111 ======================= Grid point 639 (215/511) ======================= q-point: (-0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 826 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -0.000 6.278 31.737) 32.352 2.375 ( -0.000 25.110 -0.358) 25.113 4.002 ( 0.000 -10.110 38.658) 39.958 5.024 ( 0.000 -3.316 -3.142) 4.568 5.407 ( 0.000 -2.561 27.876) 27.994 7.719 ( 0.000 -13.546 16.111) 21.049 8.808 ( -0.000 5.872 29.904) 30.475 9.405 ( 0.000 -0.280 8.982) 8.986 9.964 ( 0.000 -0.050 -0.503) 0.506 10.165 ( -0.000 0.455 4.202) 4.226 10.313 ( -0.000 4.497 -33.688) 33.987 11.468 ( -0.000 6.536 7.060) 9.621 12.589 ( -0.000 0.101 -9.577) 9.577 13.956 ( -0.000 8.626 -18.952) 20.823 14.365 ( 0.000 -7.674 1.926) 7.912 16.008 ( -0.000 5.766 -21.761) 22.512 17.899 ( 0.000 -10.234 69.140) 69.893 19.142 ( 0.000 -11.328 18.361) 21.575 25.887 ( 0.000 -3.526 48.646) 48.774 29.125 ( -0.000 0.342 7.617) 7.624 30.827 ( -0.000 0.169 -4.766) 4.769 37.350 ( 0.000 -0.720 -43.774) 43.779 80.891 ( 0.000 -11.954 48.399) 49.854 89.013 ( -0.000 17.702 -71.157) 73.326 ======================= Grid point 652 (216/511) ======================= q-point: (-0.56 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -6.222 0.000 -7.541) 9.777 3.536 ( -38.066 0.000 19.792) 42.904 4.303 ( -31.421 0.000 28.297) 42.285 5.275 ( 0.995 -0.000 27.381) 27.399 6.174 ( -43.823 0.000 -1.350) 43.843 7.708 ( -8.415 0.000 19.785) 21.500 8.727 ( 5.114 -0.000 30.842) 31.264 9.062 ( 9.627 -0.000 -5.663) 11.169 10.190 ( -1.863 0.000 0.647) 1.972 10.429 ( -17.446 0.000 7.123) 18.845 11.083 ( -18.110 0.000 -10.599) 20.984 11.596 ( -8.789 0.000 -10.348) 13.577 12.505 ( 2.823 -0.000 -18.356) 18.572 13.946 ( 5.106 -0.000 -24.355) 24.884 14.216 ( 4.595 -0.000 7.349) 8.667 15.754 ( 15.832 -0.000 -23.626) 28.441 17.778 ( 0.036 -0.000 71.705) 71.705 18.599 ( 19.371 -0.000 23.020) 30.086 25.767 ( 3.488 -0.000 47.394) 47.522 29.314 ( -9.055 0.000 8.365) 12.327 31.269 ( -19.849 0.000 -6.911) 21.018 37.225 ( 5.368 -0.000 -42.367) 42.706 80.596 ( 7.527 -0.000 42.904) 43.559 88.170 ( 43.455 -0.000 -49.151) 65.606 ======================= Grid point 654 (217/511) ======================= q-point: (-0.50 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 1.933 8.979 -9.432) 13.165 2.739 ( -37.735 1.434 24.620) 45.079 3.922 ( -11.263 -6.419 33.707) 36.114 5.206 ( -12.877 -1.795 8.432) 15.496 5.513 ( -16.974 2.081 19.713) 26.097 7.609 ( -3.164 -3.913 19.114) 19.765 8.816 ( 4.256 1.944 31.627) 31.971 9.270 ( 10.799 -0.630 1.716) 10.952 10.108 ( -13.766 0.046 2.137) 13.931 10.157 ( -0.877 0.139 0.602) 1.073 10.638 ( -23.317 0.439 -25.995) 34.923 11.534 ( -0.126 2.135 3.200) 3.849 12.563 ( 2.564 -0.081 -11.849) 12.123 14.015 ( 2.534 2.085 -26.694) 26.895 14.276 ( 1.540 -1.739 11.067) 11.308 15.984 ( 8.271 1.681 -24.697) 26.100 17.788 ( 0.225 -3.281 75.321) 75.392 18.922 ( 12.470 -2.208 17.047) 21.237 25.829 ( 2.560 -0.701 48.100) 48.173 29.177 ( -4.941 0.093 7.779) 9.216 30.951 ( -12.198 -0.078 -5.480) 13.372 37.310 ( 3.188 -0.226 -43.228) 43.346 80.730 ( 5.221 -2.553 45.588) 45.957 88.881 ( 28.588 4.374 -63.532) 69.805 ======================= Grid point 655 (218/511) ======================= q-point: (-0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -0.000 3.409 30.702) 30.891 2.602 ( -0.000 19.121 -7.693) 20.610 3.875 ( 0.000 -13.172 34.602) 37.024 4.998 ( 0.000 -1.841 -2.973) 3.497 5.409 ( -0.000 1.723 31.347) 31.395 7.611 ( 0.000 -8.008 18.304) 19.979 8.851 ( -0.000 2.973 32.516) 32.651 9.403 ( 0.000 -0.151 8.950) 8.951 9.964 ( 0.000 -0.024 -0.509) 0.510 10.169 ( -0.000 0.242 4.213) 4.220 10.344 ( -0.000 2.059 -36.081) 36.140 11.521 ( -0.000 3.911 5.909) 7.086 12.590 ( -0.000 0.055 -9.567) 9.567 14.022 ( -0.000 4.656 -24.756) 25.190 14.305 ( 0.000 -4.280 9.521) 10.438 16.053 ( -0.000 3.216 -24.189) 24.402 17.815 ( 0.000 -6.353 75.097) 75.365 19.065 ( 0.000 -4.743 15.083) 15.812 25.862 ( 0.000 -1.688 48.413) 48.442 29.127 ( -0.000 0.185 7.581) 7.583 30.828 ( -0.000 0.091 -4.740) 4.741 37.343 ( 0.000 -0.490 -43.619) 43.622 80.805 ( 0.000 -5.793 46.933) 47.289 89.140 ( -0.000 8.423 -70.225) 70.728 ======================= Grid point 671 (219/511) ======================= q-point: ( 0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 447 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -0.000 0.000 30.347) 30.347 2.706 ( -0.000 0.000 -11.549) 11.549 3.799 ( -0.000 0.000 34.705) 34.705 4.989 ( -0.000 0.000 -2.913) 2.913 5.421 ( -0.000 0.000 32.343) 32.343 7.570 ( -0.000 0.000 19.149) 19.149 8.866 ( -0.000 0.000 33.383) 33.383 9.402 ( -0.000 0.000 8.938) 8.938 9.964 ( -0.000 0.000 -0.512) 0.512 10.170 ( -0.000 0.000 4.217) 4.217 10.354 ( -0.000 0.000 -36.745) 36.745 11.541 ( -0.000 0.000 5.470) 5.470 12.590 ( -0.000 0.000 -9.563) 9.563 14.045 ( -0.000 0.000 -28.989) 28.989 14.283 ( -0.000 0.000 14.378) 14.378 16.069 ( 0.000 -0.000 -25.178) 25.178 17.783 ( -0.000 0.000 77.081) 77.081 19.043 ( -0.000 0.000 14.048) 14.048 25.854 ( -0.000 0.000 48.316) 48.316 29.128 ( -0.000 0.000 7.568) 7.568 30.829 ( -0.000 0.000 -4.731) 4.731 37.341 ( -0.000 0.000 -43.561) 43.561 80.776 ( -0.000 0.000 46.393) 46.393 89.181 ( -0.000 0.000 -69.834) 69.834 ======================= Grid point 795 (220/511) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 0.000 0.000 35.727) 35.727 2.711 ( 0.000 0.000 46.329) 46.329 4.650 ( 0.000 0.000 50.615) 50.615 5.092 ( 0.000 0.000 -6.922) 6.922 6.569 ( 0.000 0.000 10.630) 10.630 7.965 ( 0.000 0.000 -2.654) 2.654 9.000 ( 0.000 0.000 14.004) 14.004 9.617 ( 0.000 0.000 8.627) 8.627 9.957 ( 0.000 0.000 -0.719) 0.719 10.208 ( 0.000 0.000 20.365) 20.365 10.271 ( 0.000 0.000 9.379) 9.379 11.508 ( 0.000 0.000 15.387) 15.387 12.342 ( 0.000 0.000 -13.394) 13.394 12.872 ( 0.000 0.000 -19.992) 19.992 14.781 ( 0.000 0.000 0.140) 0.140 15.394 ( 0.000 0.000 -10.216) 10.216 18.738 ( 0.000 0.000 23.065) 23.065 20.679 ( 0.000 0.000 -4.370) 4.370 27.286 ( 0.000 0.000 54.347) 54.347 29.299 ( 0.000 0.000 10.634) 10.634 30.689 ( 0.000 0.000 -7.276) 7.276 36.274 ( 0.000 0.000 -57.245) 57.245 83.020 ( 0.000 0.000 26.390) 26.390 86.256 ( 0.000 0.000 -19.266) 19.266 ======================= Grid point 796 (221/511) ======================= q-point: ( 0.06 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 5.474 4.153 43.581) 44.120 2.983 ( 27.068 -2.120 32.504) 42.352 4.786 ( 13.805 -3.011 47.311) 49.376 5.322 ( 22.641 0.087 -6.429) 23.536 6.532 ( -2.330 5.404 10.940) 12.423 7.982 ( 0.804 -3.856 -2.530) 4.681 8.816 ( -11.739 1.872 15.572) 19.591 9.805 ( -7.267 2.942 5.143) 9.376 9.905 ( 18.797 -2.518 4.626) 19.521 10.322 ( 6.652 0.199 7.808) 10.259 10.446 ( 18.366 -0.127 16.124) 24.440 11.515 ( 0.547 -0.233 14.054) 14.067 12.256 ( -8.287 -0.337 -16.518) 18.483 12.904 ( 1.918 -3.215 -17.995) 18.380 14.730 ( -4.661 2.196 -0.066) 5.152 15.326 ( -7.400 -1.798 -9.957) 12.535 18.709 ( -3.167 -0.769 23.494) 23.719 20.534 ( -12.940 4.960 0.550) 13.869 27.212 ( -6.573 1.245 56.689) 57.082 29.351 ( 5.348 -0.073 10.844) 12.092 30.819 ( 12.705 0.059 -8.926) 15.527 36.254 ( -2.099 -0.103 -57.183) 57.222 82.784 ( -20.586 6.850 32.739) 39.275 86.223 ( -5.861 -8.543 -20.140) 22.648 ======================= Grid point 797 (222/511) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 14.530 6.433 37.467) 40.698 3.584 ( 29.741 -5.419 29.769) 42.428 5.232 ( 30.844 -1.644 36.376) 47.720 5.883 ( 32.484 -0.151 -5.598) 32.963 6.444 ( -2.021 8.005 11.548) 14.196 8.042 ( 3.311 -5.693 -2.244) 6.957 8.648 ( -4.049 2.023 16.930) 17.525 9.652 ( -6.072 2.525 6.820) 9.474 10.179 ( 6.769 -1.588 5.220) 8.694 10.608 ( 21.524 0.614 1.569) 21.590 10.832 ( 20.019 -0.834 17.479) 26.589 11.531 ( 1.814 0.813 10.172) 10.365 12.059 ( -11.522 -1.457 -22.994) 25.760 12.956 ( 0.939 -5.490 -15.430) 16.405 14.587 ( -8.214 4.204 -0.587) 9.246 15.136 ( -13.107 -3.220 -9.292) 16.386 18.627 ( -5.733 -1.283 24.745) 25.433 20.178 ( -19.431 7.848 10.596) 23.482 27.058 ( -7.835 1.451 60.089) 60.615 29.500 ( 9.846 -0.162 11.455) 15.106 31.138 ( 19.437 0.400 -11.164) 22.418 36.196 ( -3.874 0.027 -56.944) 57.076 82.268 ( -26.389 7.998 41.957) 50.207 86.106 ( -11.270 -11.058 -21.309) 26.521 ======================= Grid point 798 (223/511) ======================= q-point: ( 0.19 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( 23.169 6.263 30.759) 39.015 4.133 ( 24.027 -8.409 29.348) 38.850 5.871 ( 26.387 0.796 21.719) 34.185 6.277 ( 12.473 16.644 7.036) 21.957 6.656 ( 27.680 -8.612 0.911) 29.003 8.181 ( 8.639 -4.961 -2.915) 10.380 8.646 ( 4.866 0.868 20.573) 21.158 9.554 ( -1.977 4.171 9.590) 10.643 10.261 ( 1.716 -1.476 5.307) 5.769 10.948 ( 9.785 -0.350 0.973) 9.839 11.132 ( 6.321 -1.542 20.247) 21.267 11.660 ( 15.581 2.475 1.158) 15.818 11.890 ( -4.329 -2.476 -29.000) 29.425 12.989 ( -0.589 -6.687 -14.286) 15.785 14.386 ( -9.556 5.492 -1.067) 11.073 14.870 ( -15.701 -3.853 -8.360) 18.201 18.506 ( -7.283 -1.398 26.720) 27.730 19.745 ( -20.576 8.583 19.584) 29.675 26.913 ( -6.391 1.094 61.637) 61.977 29.723 ( 12.804 -0.261 12.403) 17.828 31.537 ( 21.603 0.629 -11.947) 24.694 36.108 ( -4.999 0.280 -56.523) 56.744 81.754 ( -22.432 6.037 45.132) 50.760 85.903 ( -14.607 -9.238 -21.788) 27.810 ======================= Grid point 799 (224/511) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.722 ( 28.284 4.874 25.631) 38.479 4.619 ( 22.276 -8.927 27.424) 36.441 5.973 ( -3.390 6.139 13.116) 14.873 6.671 ( 25.280 13.857 8.848) 30.155 7.203 ( 19.644 -11.635 0.735) 22.843 8.411 ( 12.372 -1.985 -6.391) 14.066 8.852 ( 17.021 -1.572 26.738) 31.735 9.562 ( 6.160 5.193 14.138) 16.273 10.262 ( -2.349 -0.694 4.765) 5.358 10.964 ( -8.036 -0.094 2.305) 8.361 11.067 ( -8.562 -2.939 7.012) 11.451 11.958 ( 8.084 -1.099 -21.239) 22.752 12.076 ( 24.742 1.401 -6.311) 25.572 13.000 ( -1.570 -6.156 -14.418) 15.756 14.187 ( -7.659 5.351 -0.753) 9.373 14.593 ( -14.170 -3.494 -7.096) 16.228 18.366 ( -7.637 -1.133 29.267) 30.268 19.315 ( -19.576 7.710 26.037) 33.475 26.803 ( -4.639 0.644 61.896) 62.073 29.985 ( 13.795 -0.342 13.575) 19.358 31.948 ( 20.934 0.636 -11.836) 24.057 36.005 ( -5.305 0.460 -56.024) 56.276 81.357 ( -16.179 3.643 43.747) 46.784 85.648 ( -15.339 -5.921 -21.756) 27.270 ======================= Grid point 800 (225/511) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.264 ( 29.553 4.189 23.023) 37.696 5.076 ( 20.035 -7.533 25.581) 33.354 5.891 ( -0.576 4.002 11.769) 12.444 6.935 ( 8.484 11.400 11.827) 18.488 7.448 ( 0.789 -9.625 4.422) 10.621 8.607 ( 5.836 0.452 -11.349) 12.769 9.323 ( 29.446 -1.953 29.684) 41.857 9.750 ( 14.132 3.890 15.374) 21.241 10.181 ( -5.296 0.549 2.899) 6.062 10.684 ( -17.411 -1.598 3.900) 17.914 10.987 ( -2.123 -3.555 -4.831) 6.363 12.104 ( 5.393 0.361 -16.293) 17.166 12.512 ( 19.711 1.470 -10.783) 22.516 12.990 ( -1.927 -4.183 -15.930) 16.583 14.055 ( -3.451 4.392 0.902) 5.658 14.390 ( -7.603 -3.038 -5.272) 9.738 18.230 ( -6.725 -0.617 32.129) 32.831 18.919 ( -17.887 5.684 30.621) 35.915 26.726 ( -3.157 0.269 61.723) 61.805 30.245 ( 12.701 -0.366 14.811) 19.515 32.325 ( 17.987 0.522 -11.519) 21.366 35.904 ( -4.805 0.484 -55.569) 55.778 81.088 ( -10.520 1.709 41.008) 42.370 85.385 ( -13.707 -2.823 -21.446) 25.608 ======================= Grid point 801 (226/511) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.803 ( 28.187 4.545 22.535) 36.373 5.394 ( 8.085 -4.056 25.113) 26.692 5.989 ( 12.479 -1.475 9.490) 15.747 6.895 ( -6.348 10.311 21.784) 24.923 7.410 ( -7.542 -9.280 9.261) 15.125 8.637 ( -0.986 2.274 -12.523) 12.766 9.823 ( 11.569 2.031 12.846) 17.406 9.987 ( 12.475 2.114 10.161) 16.228 10.136 ( 5.417 0.458 8.575) 10.153 10.400 ( -10.885 -4.250 10.987) 16.039 11.026 ( 4.752 -4.534 -8.731) 10.925 12.127 ( -2.980 2.005 -14.137) 14.586 12.785 ( 9.151 2.359 -15.079) 17.795 12.991 ( 1.078 -2.620 -18.723) 18.936 14.010 ( 0.802 3.498 2.790) 4.546 14.342 ( 0.571 -2.949 -3.347) 4.497 18.122 ( -4.322 -0.002 34.896) 35.163 18.574 ( -15.437 3.163 34.004) 37.478 26.676 ( -1.948 0.040 61.509) 61.540 30.466 ( 9.701 -0.310 15.915) 18.642 32.626 ( 13.139 0.364 -11.273) 17.316 35.820 ( -3.623 0.378 -55.235) 55.355 80.925 ( -6.066 0.495 38.615) 39.092 85.160 ( -10.215 -0.798 -21.035) 23.398 ======================= Grid point 802 (227/511) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.296 ( 24.474 4.476 22.594) 33.608 5.472 ( 0.708 -2.180 23.900) 24.010 6.237 ( 2.703 -3.992 9.448) 10.607 6.722 ( 1.196 7.793 28.509) 29.579 7.266 ( -11.991 -7.171 15.642) 20.973 8.583 ( -2.539 2.187 -14.700) 15.077 9.833 ( -0.987 2.067 -7.117) 7.476 9.994 ( -6.538 0.992 -7.632) 10.098 10.289 ( 2.916 -0.113 25.995) 26.159 10.469 ( 11.157 -1.857 22.405) 25.098 11.230 ( 13.169 -5.795 -9.383) 17.177 11.971 ( -10.975 3.574 -11.879) 16.563 12.872 ( 2.289 1.704 -17.772) 18.000 13.046 ( 2.600 -0.864 -20.694) 20.874 14.039 ( 2.777 1.723 3.388) 4.707 14.398 ( 2.836 -1.827 -2.784) 4.374 18.075 ( -0.089 0.459 37.023) 37.026 18.301 ( -11.410 0.963 36.338) 38.099 26.649 ( -0.927 -0.031 61.370) 61.377 30.613 ( 5.246 -0.178 16.686) 17.492 32.820 ( 6.924 0.187 -11.142) 13.120 35.764 ( -1.944 0.201 -55.046) 55.080 80.841 ( -2.707 0.011 37.131) 37.229 85.009 ( -5.440 -0.001 -20.694) 21.397 ======================= Grid point 803 (228/511) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 780 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.477 ( 0.000 0.000 23.288) 23.288 5.598 ( 0.000 -0.000 22.097) 22.097 6.136 ( 0.000 -0.000 18.620) 18.620 6.877 ( 0.000 0.000 17.922) 17.922 7.073 ( 0.000 -0.000 23.264) 23.264 8.548 ( 0.000 -0.000 -16.331) 16.331 9.833 ( 0.000 -0.000 -10.548) 10.548 9.901 ( 0.000 -0.000 -7.022) 7.022 10.316 ( 0.000 -0.000 25.542) 25.542 10.585 ( 0.000 0.000 21.059) 21.059 11.458 ( 0.000 -0.000 -7.006) 7.006 11.778 ( 0.000 -0.000 -11.917) 11.917 12.887 ( 0.000 -0.000 -18.197) 18.197 13.075 ( 0.000 0.000 -21.360) 21.360 14.067 ( 0.000 -0.000 3.264) 3.264 14.435 ( 0.000 0.000 -2.932) 2.932 18.111 ( 0.000 0.000 38.484) 38.484 18.148 ( -0.000 -0.000 36.591) 36.591 26.640 ( 0.000 -0.000 61.324) 61.324 30.665 ( 0.000 -0.000 16.963) 16.963 32.887 ( 0.000 -0.000 -11.104) 11.104 35.744 ( 0.000 -0.000 -54.986) 54.986 80.815 ( 0.000 -0.000 36.640) 36.640 84.955 ( 0.000 -0.000 -20.562) 20.562 ======================= Grid point 813 (229/511) ======================= q-point: ( 0.06 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 14.155 -0.000 38.434) 40.958 3.555 ( 29.301 -0.000 30.088) 41.998 5.223 ( 31.784 -0.000 37.138) 48.882 5.883 ( 33.175 -0.000 -6.544) 33.814 6.485 ( -3.382 0.000 11.841) 12.315 8.013 ( 3.808 -0.000 -2.105) 4.351 8.658 ( -4.388 0.000 16.708) 17.275 9.665 ( -6.053 0.000 6.407) 8.814 10.171 ( 6.890 -0.000 5.557) 8.851 10.612 ( 21.482 -0.000 1.059) 21.508 10.828 ( 19.754 -0.000 18.699) 27.200 11.535 ( 2.266 -0.000 9.731) 9.991 12.051 ( -11.752 0.000 -23.230) 26.034 12.929 ( 1.139 -0.000 -15.179) 15.221 14.608 ( -8.198 0.000 -0.847) 8.241 15.120 ( -13.066 0.000 -9.075) 15.909 18.620 ( -5.654 0.000 24.628) 25.268 20.217 ( -19.947 0.000 9.353) 22.031 27.066 ( -8.059 0.000 59.946) 60.485 29.500 ( 9.841 -0.000 11.459) 15.105 31.140 ( 19.479 -0.000 -11.298) 22.518 36.196 ( -3.822 0.000 -56.803) 56.931 82.309 ( -27.610 0.000 41.387) 49.752 86.050 ( -9.905 0.000 -19.414) 21.795 ======================= Grid point 814 (230/511) ======================= q-point: ( 0.12 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 22.286 2.650 32.103) 39.169 4.073 ( 24.110 -3.364 29.844) 38.513 5.876 ( 27.150 0.186 21.819) 34.831 6.430 ( 15.409 14.201 6.189) 21.850 6.559 ( 23.409 -11.229 1.245) 25.993 8.147 ( 9.894 -1.844 -2.384) 10.343 8.652 ( 4.063 0.355 20.412) 20.815 9.583 ( -1.762 1.470 9.118) 9.402 10.249 ( 1.890 -0.683 5.554) 5.906 10.948 ( 9.412 0.125 -0.544) 9.429 11.121 ( 6.824 -0.559 22.126) 23.161 11.678 ( 15.328 1.069 1.532) 15.441 11.871 ( -4.266 -1.169 -29.878) 30.204 12.944 ( -0.076 -2.366 -14.034) 14.232 14.426 ( -9.721 2.211 -1.427) 10.070 14.842 ( -15.508 -1.625 -7.926) 17.492 18.497 ( -7.095 -0.470 26.579) 27.514 19.802 ( -21.517 3.011 17.927) 28.168 26.920 ( -6.658 0.391 61.597) 61.957 29.721 ( 12.797 -0.092 12.398) 17.818 31.541 ( 21.578 0.228 -12.138) 24.759 36.110 ( -4.946 0.089 -56.365) 56.582 81.795 ( -23.895 2.197 45.015) 51.011 85.840 ( -12.649 -3.360 -19.929) 23.842 ======================= Grid point 815 (231/511) ======================= q-point: ( 0.19 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( 27.404 3.118 26.662) 38.361 4.547 ( 23.203 -5.285 27.715) 36.530 6.020 ( -3.367 3.402 12.570) 13.451 6.810 ( 23.583 14.215 6.529) 28.300 7.081 ( 20.183 -12.986 2.299) 24.110 8.395 ( 13.550 -1.222 -5.774) 14.780 8.839 ( 16.322 -0.912 27.633) 32.106 9.604 ( 5.841 3.019 13.951) 15.422 10.254 ( -1.942 -0.758 4.770) 5.206 10.973 ( -6.187 1.670 0.584) 6.435 11.037 ( -10.851 -2.925 7.421) 13.467 11.947 ( 8.826 -0.915 -21.025) 22.821 12.088 ( 24.462 0.999 -5.775) 25.155 12.952 ( -0.532 -3.409 -14.286) 14.697 14.232 ( -8.316 3.421 -1.131) 9.063 14.563 ( -13.728 -2.398 -6.507) 15.380 18.358 ( -7.371 -0.572 29.158) 30.081 19.374 ( -20.802 4.143 24.366) 32.305 26.808 ( -4.859 0.355 61.925) 62.117 29.982 ( 13.799 -0.185 13.554) 19.343 31.953 ( 20.857 0.354 -11.966) 24.049 36.009 ( -5.301 0.239 -55.899) 56.150 81.385 ( -17.356 2.023 43.858) 47.211 85.602 ( -13.520 -3.298 -20.524) 24.797 ======================= Grid point 816 (232/511) ======================= q-point: ( 0.25 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.300 ( 29.293 2.989 23.128) 37.442 5.014 ( 21.613 -5.035 25.431) 33.752 5.925 ( -2.651 2.844 10.764) 11.445 7.042 ( 7.343 10.268 8.388) 15.156 7.356 ( 1.758 -9.083 7.176) 11.709 8.606 ( 6.541 -0.351 -10.551) 12.419 9.307 ( 30.155 -1.198 30.797) 43.118 9.785 ( 13.319 3.033 16.553) 21.462 10.185 ( -4.828 0.158 2.462) 5.422 10.671 ( -18.604 -0.933 2.995) 18.867 10.957 ( -1.944 -2.471 -5.486) 6.323 12.106 ( 5.956 0.002 -16.184) 17.245 12.526 ( 20.040 1.332 -10.515) 22.671 12.954 ( -0.915 -2.960 -15.819) 16.119 14.093 ( -4.118 3.151 0.538) 5.213 14.364 ( -7.348 -2.273 -4.673) 9.000 18.225 ( -6.432 -0.374 32.048) 32.689 18.966 ( -19.247 3.763 29.205) 35.178 26.728 ( -3.305 0.185 61.766) 61.855 30.242 ( 12.727 -0.245 14.776) 19.503 32.329 ( 17.896 0.356 -11.559) 21.307 35.908 ( -4.855 0.317 -55.481) 55.694 81.103 ( -11.305 1.163 41.096) 42.639 85.361 ( -12.409 -1.934 -20.851) 24.341 ======================= Grid point 817 (233/511) ======================= q-point: ( 0.31 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.845 ( 28.470 3.844 21.581) 35.931 5.359 ( 9.832 -2.990 24.491) 26.560 5.974 ( 9.846 -1.358 8.560) 13.117 6.993 ( -7.394 9.355 21.217) 24.338 7.323 ( -6.761 -8.363 10.113) 14.762 8.653 ( -0.753 0.996 -12.139) 12.203 9.844 ( 15.128 2.217 15.318) 21.643 10.008 ( 10.766 1.949 9.438) 14.449 10.140 ( 5.419 0.253 8.324) 9.936 10.361 ( -12.213 -3.563 10.864) 16.730 10.986 ( 4.052 -3.645 -8.970) 10.496 12.144 ( -2.276 1.364 -14.496) 14.737 12.810 ( 9.606 2.587 -15.131) 18.108 12.965 ( 1.500 -2.721 -18.531) 18.790 14.041 ( 0.096 2.735 2.532) 3.729 14.316 ( 0.895 -2.321 -2.884) 3.809 18.122 ( -4.055 0.009 34.804) 35.039 18.601 ( -16.685 2.410 33.055) 37.105 26.676 ( -2.017 0.034 61.539) 61.572 30.463 ( 9.756 -0.239 15.879) 18.638 32.629 ( 13.049 0.282 -11.253) 17.233 35.823 ( -3.706 0.286 -55.180) 55.305 80.929 ( -6.462 0.388 38.621) 39.160 85.153 ( -9.555 -0.631 -20.868) 22.960 ======================= Grid point 818 (234/511) ======================= q-point: ( 0.38 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.339 ( 23.076 4.284 21.620) 31.911 5.454 ( 2.454 -1.482 22.605) 22.786 6.196 ( 3.069 -4.274 9.631) 10.975 6.796 ( -1.020 7.164 29.223) 30.106 7.200 ( -10.366 -6.216 15.290) 19.490 8.600 ( -3.277 1.264 -14.258) 14.684 9.859 ( -1.818 3.041 -7.982) 8.733 9.998 ( -7.428 -0.304 -9.094) 11.746 10.285 ( 2.477 -0.727 27.692) 27.812 10.458 ( 13.281 -0.534 24.120) 27.540 11.177 ( 13.596 -4.907 -9.384) 17.234 12.001 ( -10.839 2.598 -12.528) 16.768 12.892 ( 1.861 2.307 -18.321) 18.560 13.034 ( 3.056 -1.584 -20.190) 20.481 14.056 ( 1.851 1.560 3.291) 4.086 14.381 ( 3.652 -1.577 -2.521) 4.709 18.080 ( 0.029 0.397 36.897) 36.899 18.310 ( -12.297 0.807 35.937) 37.991 26.648 ( -0.929 -0.025 61.384) 61.391 30.612 ( 5.326 -0.153 16.662) 17.493 32.821 ( 6.833 0.161 -11.115) 13.048 35.766 ( -2.040 0.169 -55.018) 55.057 80.841 ( -2.794 0.012 37.104) 37.209 85.009 ( -5.303 -0.008 -20.697) 21.366 ======================= Grid point 819 (235/511) ======================= q-point: ( 0.44 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.449 ( -1.467 -4.324 22.974) 23.423 5.639 ( -0.263 7.055 22.297) 23.388 6.118 ( 1.309 -3.563 18.788) 19.167 6.876 ( -7.856 -0.168 17.965) 19.608 7.080 ( 9.166 1.307 23.187) 24.967 8.546 ( -1.484 -0.508 -16.308) 16.383 9.835 ( -1.037 0.502 -10.247) 10.312 9.899 ( -0.339 -0.339 -7.371) 7.387 10.314 ( 0.120 -0.310 25.790) 25.792 10.587 ( 0.551 0.409 20.690) 20.702 11.459 ( 7.126 0.175 -6.835) 9.875 11.776 ( -5.833 -0.405 -11.938) 13.293 12.892 ( -0.728 0.942 -18.304) 18.343 13.071 ( 0.093 -0.849 -21.264) 21.281 14.068 ( -0.779 0.057 3.249) 3.342 14.435 ( 0.957 0.010 -2.935) 3.087 18.112 ( -1.162 0.247 38.399) 38.417 18.147 ( 0.491 -0.250 36.677) 36.681 26.640 ( 0.025 0.001 61.323) 61.323 30.665 ( 0.092 -0.003 16.964) 16.964 32.887 ( -0.093 0.002 -11.104) 11.105 35.744 ( -0.101 -0.001 -54.986) 54.986 80.815 ( 0.038 0.000 36.639) 36.640 84.955 ( -0.073 -0.003 -20.561) 20.561 ======================= Grid point 820 (236/511) ======================= q-point: (-0.50 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.253 ( -24.028 -4.041 23.660) 33.963 5.496 ( -1.202 2.766 25.144) 25.324 6.271 ( -0.860 2.769 9.525) 9.956 6.646 ( -4.480 -7.303 27.908) 29.193 7.339 ( 13.822 7.511 15.865) 22.342 8.557 ( 1.444 -3.132 -15.265) 15.650 9.819 ( 0.569 -0.682 -5.937) 6.003 9.980 ( 5.448 -1.905 -6.718) 8.857 10.286 ( -3.933 -0.726 24.895) 25.214 10.494 ( -8.392 2.922 20.251) 22.115 11.289 ( -13.130 6.036 -9.693) 17.400 11.932 ( 11.413 -4.297 -10.874) 16.339 12.859 ( -2.855 -0.927 -17.419) 17.675 13.051 ( -2.053 0.097 -21.043) 21.143 14.023 ( -3.749 -1.608 3.481) 5.363 14.417 ( -1.981 1.807 -3.083) 4.086 18.071 ( 0.189 -0.448 37.147) 37.150 18.292 ( 10.478 -0.977 36.785) 38.261 26.649 ( 0.926 0.033 61.354) 61.361 30.615 ( -5.160 0.175 16.712) 17.491 32.818 ( -7.021 -0.184 -11.173) 13.197 35.762 ( 1.839 -0.202 -55.075) 55.106 80.841 ( 2.615 -0.007 37.159) 37.251 85.009 ( 5.582 -0.009 -20.688) 21.427 ======================= Grid point 821 (237/511) ======================= q-point: (-0.44 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.758 ( -28.200 -4.447 23.637) 37.064 5.437 ( -5.674 4.809 25.893) 26.940 6.002 ( -15.408 1.173 10.654) 18.769 6.792 ( 5.426 -10.541 22.105) 25.084 7.505 ( 8.110 9.917 8.640) 15.452 8.606 ( 0.972 -3.966 -13.068) 13.691 9.807 ( -9.023 -0.999 11.528) 14.674 9.967 ( -12.640 -2.084 9.610) 16.015 10.131 ( -5.484 -0.510 8.825) 10.402 10.442 ( 9.188 4.160 11.072) 14.977 11.072 ( -5.492 4.714 -8.672) 11.296 12.105 ( 3.808 -2.468 -13.548) 14.288 12.764 ( -8.909 -1.880 -15.014) 17.559 13.015 ( -0.134 2.273 -19.044) 19.180 13.974 ( -1.722 -3.756 3.112) 5.172 14.373 ( -0.190 3.145 -3.890) 5.006 18.122 ( 4.665 0.024 35.005) 35.314 18.541 ( 13.939 -3.446 35.131) 37.952 26.676 ( 1.870 -0.039 61.472) 61.500 30.469 ( -9.636 0.333 15.959) 18.646 32.622 ( -13.243 -0.388 -11.297) 17.412 35.816 ( 3.522 -0.414 -55.299) 55.413 80.920 ( 5.606 -0.521 38.607) 39.015 85.168 ( 10.975 0.830 -21.224) 23.908 ======================= Grid point 822 (238/511) ======================= q-point: (-0.38 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.220 ( -29.707 -4.654 22.990) 37.851 5.159 ( -18.376 9.207 25.535) 32.780 5.849 ( -1.741 -4.465 13.299) 14.136 6.820 ( -9.244 -11.910 14.296) 20.777 7.544 ( -0.461 9.852 2.741) 10.236 8.595 ( -4.858 -2.132 -12.285) 13.381 9.346 ( -28.639 2.611 28.259) 40.319 9.712 ( -15.216 -3.830 14.272) 21.211 10.174 ( 5.533 -0.851 3.242) 6.469 10.702 ( 16.550 1.969 4.962) 17.389 11.025 ( 2.202 4.116 -4.189) 6.273 12.098 ( -4.881 -0.956 -16.319) 17.060 12.499 ( -19.221 -1.098 -11.159) 22.252 13.034 ( 3.309 4.733 -16.177) 17.177 14.008 ( 2.907 -5.001 1.353) 5.941 14.422 ( 7.651 3.317 -6.013) 10.281 18.237 ( 7.154 0.842 32.210) 33.006 18.857 ( 16.068 -6.813 32.504) 36.893 26.723 ( 2.967 -0.308 61.664) 61.737 30.249 ( -12.666 0.430 14.857) 19.528 32.319 ( -18.100 -0.601 -11.473) 21.438 35.899 ( 4.734 -0.586 -55.680) 55.884 81.070 ( 9.523 -1.968 40.887) 42.027 85.415 ( 15.347 3.224 -22.193) 27.175 ======================= Grid point 823 (239/511) ======================= q-point: (-0.31 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( -29.041 -5.218 24.261) 38.200 4.716 ( -21.481 10.564 26.551) 35.749 5.904 ( 2.896 -7.497 14.302) 16.405 6.538 ( -26.207 -13.114 11.232) 31.383 7.310 ( -19.940 10.129 -0.681) 22.376 8.431 ( -10.432 1.904 -7.604) 13.048 8.869 ( -18.017 1.999 25.704) 31.453 9.505 ( -6.806 -6.217 14.594) 17.261 10.265 ( 2.778 -0.059 4.717) 5.475 10.976 ( 9.634 2.086 4.728) 10.932 11.095 ( 6.707 2.978 6.517) 9.814 11.965 ( -7.547 0.068 -21.170) 22.475 12.065 ( -24.839 -0.736 -7.474) 25.949 13.070 ( 3.114 7.759 -14.720) 16.929 14.131 ( 6.985 -5.897 -0.181) 9.144 14.628 ( 14.577 3.572 -7.983) 16.999 18.380 ( 8.075 1.676 29.407) 30.541 19.225 ( 17.725 -10.233 28.557) 35.134 26.795 ( 4.319 -0.819 61.844) 62.000 29.988 ( -13.790 0.446 13.607) 19.378 31.941 ( -21.038 -0.799 -11.655) 24.064 36.000 ( 5.299 -0.637 -56.201) 56.454 81.316 ( 14.514 -4.589 43.554) 46.137 85.714 ( 17.907 7.415 -23.510) 30.468 ======================= Grid point 824 (240/511) ======================= q-point: (-0.25 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( -24.261 -6.985 28.453) 38.039 4.228 ( -24.236 10.491 28.090) 38.555 5.857 ( -26.044 -2.592 20.757) 33.404 6.110 ( -9.138 -16.789 9.899) 21.525 6.730 ( -32.311 6.611 -0.112) 32.981 8.239 ( -6.776 6.385 -3.913) 10.099 8.638 ( -5.963 -0.672 20.852) 21.699 9.503 ( 2.176 -6.207 10.455) 12.352 10.274 ( -1.370 1.162 5.035) 5.346 10.958 ( -10.707 1.758 3.821) 11.504 11.152 ( -5.184 2.552 16.929) 17.887 11.633 ( -16.138 -2.858 0.964) 16.418 11.914 ( 4.550 2.241 -28.162) 28.615 13.072 ( 1.531 9.774 -14.792) 17.795 14.325 ( 9.254 -6.789 -0.381) 11.484 14.912 ( 16.063 4.471 -9.179) 19.033 18.524 ( 7.650 2.297 26.982) 28.139 19.638 ( 18.876 -12.915 22.593) 32.149 26.900 ( 5.919 -1.583 61.688) 61.992 29.726 ( -12.816 0.391 12.412) 17.846 31.529 ( -21.636 -0.886 -11.620) 24.574 36.104 ( 5.076 -0.491 -56.791) 57.019 81.681 ( 19.977 -8.501 45.242) 50.181 86.015 ( 17.894 12.992 -24.985) 33.366 ======================= Grid point 825 (241/511) ======================= q-point: (-0.19 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( -15.271 -8.865 34.903) 39.115 3.651 ( -31.050 7.844 28.661) 42.978 5.248 ( -28.494 1.076 33.564) 44.041 5.888 ( -29.911 0.910 -2.298) 30.012 6.337 ( -2.216 -13.152 10.800) 17.162 8.116 ( -2.266 8.695 -2.566) 9.344 8.624 ( 3.355 -2.450 17.389) 17.878 9.615 ( 6.121 -4.912 7.871) 11.115 10.200 ( -6.318 2.318 4.594) 8.148 10.602 ( -21.828 -0.447 2.800) 22.012 10.843 ( -20.848 1.341 14.190) 25.254 11.522 ( -0.551 -0.746 11.330) 11.368 12.077 ( 11.008 1.918 -22.399) 25.031 13.033 ( -0.402 9.965 -16.111) 18.948 14.532 ( 8.202 -6.681 0.154) 10.580 15.178 ( 13.270 4.916 -9.903) 17.272 18.646 ( 5.964 2.522 25.099) 25.920 20.067 ( 18.025 -14.372 14.006) 26.974 27.038 ( 7.232 -2.564 60.445) 60.930 29.503 ( -9.861 0.299 11.445) 15.110 31.133 ( -19.315 -0.679 -10.809) 22.145 36.195 ( 4.003 -0.158 -57.313) 57.453 82.160 ( 23.330 -13.479 43.256) 50.962 86.256 ( 14.672 18.718 -26.213) 35.394 ======================= Grid point 826 (242/511) ======================= q-point: (-0.12 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -5.535 -8.964 41.308) 42.630 3.017 ( -27.921 4.298 32.118) 42.774 4.838 ( -12.014 6.846 44.934) 47.014 5.321 ( -23.425 0.190 -4.985) 23.951 6.433 ( 1.893 -14.239 10.926) 18.048 8.050 ( -0.297 9.368 -2.735) 9.764 8.784 ( 10.937 -4.187 16.040) 19.861 9.762 ( 3.286 -5.233 7.460) 9.687 9.940 ( -14.778 3.954 2.074) 15.438 10.318 ( -6.527 -0.609 8.300) 10.577 10.447 ( -18.422 0.055 14.477) 23.429 11.521 ( -0.062 1.028 14.773) 14.809 12.261 ( 7.873 0.754 -16.295) 18.113 12.965 ( -1.544 8.945 -18.536) 20.639 14.690 ( 4.690 -5.665 0.555) 7.375 15.358 ( 7.448 4.522 -10.331) 13.514 18.724 ( 3.255 2.272 23.820) 24.149 20.439 ( 12.186 -13.896 3.893) 18.888 27.189 ( 6.110 -3.379 57.457) 57.879 29.353 ( -5.355 0.207 10.827) 12.081 30.818 ( -12.519 -0.147 -8.772) 15.287 36.255 ( 2.187 0.185 -57.585) 57.626 82.659 ( 18.324 -17.507 35.793) 43.857 86.379 ( 8.051 21.980 -26.098) 35.058 ======================= Grid point 827 (243/511) ======================= q-point: (-0.06 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 0.000 -6.518 45.186) 45.654 2.694 ( -0.000 1.949 35.461) 35.514 4.690 ( -0.000 7.674 49.979) 50.564 5.085 ( 0.000 -1.280 -6.853) 6.972 6.515 ( 0.000 -10.681 10.566) 15.024 8.005 ( -0.000 7.671 -2.810) 8.169 8.974 ( 0.000 -4.941 14.466) 15.286 9.616 ( 0.000 -0.207 8.619) 8.622 9.956 ( 0.000 -0.061 -0.721) 0.723 10.207 ( 0.000 -0.316 19.428) 19.430 10.272 ( -0.000 0.290 9.376) 9.380 11.513 ( -0.000 1.057 15.726) 15.761 12.342 ( -0.000 0.073 -13.389) 13.389 12.906 ( -0.000 6.736 -20.202) 21.295 14.760 ( 0.000 -4.105 0.477) 4.132 15.411 ( -0.000 3.401 -10.395) 10.937 18.746 ( -0.000 1.618 23.244) 23.300 20.626 ( 0.000 -10.485 -2.361) 10.747 27.271 ( 0.000 -2.941 54.957) 55.035 29.299 ( -0.000 0.135 10.624) 10.624 30.690 ( -0.000 0.128 -7.269) 7.270 36.275 ( -0.000 0.271 -57.497) 57.497 82.940 ( 0.000 -15.496 28.932) 32.821 86.352 ( -0.000 18.582 -23.311) 29.810 ======================= Grid point 830 (244/511) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( 26.994 -0.000 27.060) 38.222 4.521 ( 23.631 -0.000 27.753) 36.451 6.037 ( -3.274 0.000 12.418) 12.843 6.947 ( 27.257 -0.000 13.646) 30.481 6.950 ( 16.025 -0.000 -5.101) 16.817 8.389 ( 13.935 -0.000 -5.603) 15.019 8.835 ( 16.077 -0.000 27.993) 32.281 9.619 ( 5.753 -0.000 13.915) 15.057 10.249 ( -1.774 0.000 4.754) 5.074 10.987 ( -2.362 0.000 -2.407) 3.373 11.017 ( -14.890 0.000 9.949) 17.907 11.942 ( 9.109 -0.000 -20.929) 22.826 12.094 ( 24.381 -0.000 -5.597) 25.015 12.935 ( -0.173 0.000 -14.255) 14.256 14.250 ( -8.602 0.000 -1.262) 8.694 14.550 ( -13.522 0.000 -6.301) 14.918 18.355 ( -7.282 0.000 29.118) 30.015 19.394 ( -21.232 0.000 23.781) 31.880 26.809 ( -4.938 0.000 61.935) 62.131 29.981 ( 13.800 -0.000 13.547) 19.338 31.955 ( 20.829 -0.000 -12.013) 24.045 36.010 ( -5.297 0.000 -55.853) 56.104 81.395 ( -17.782 0.000 43.894) 47.359 85.585 ( -12.860 0.000 -20.080) 23.845 ======================= Grid point 831 (245/511) ======================= q-point: ( 0.19 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.320 ( 29.068 1.099 23.224) 37.223 4.980 ( 22.594 -1.789 25.288) 33.958 5.945 ( -3.865 1.038 10.261) 11.014 7.131 ( 6.013 6.927 2.566) 9.525 7.275 ( 3.043 -6.513 12.596) 14.503 8.603 ( 6.914 -0.244 -10.089) 12.233 9.300 ( 30.576 -0.403 31.406) 43.834 9.806 ( 12.879 1.165 17.396) 21.676 10.185 ( -4.433 -0.009 2.079) 4.896 10.666 ( -19.540 -0.282 2.521) 19.704 10.940 ( -1.742 -0.898 -5.943) 6.258 12.106 ( 6.325 -0.045 -16.090) 17.289 12.536 ( 20.225 0.548 -10.367) 22.734 12.934 ( -0.408 -1.086 -15.795) 15.837 14.115 ( -4.633 1.186 0.321) 4.793 14.348 ( -7.066 -0.881 -4.326) 8.332 18.223 ( -6.284 -0.125 32.000) 32.612 18.991 ( -19.974 1.316 28.444) 34.782 26.729 ( -3.386 0.066 61.788) 61.881 30.241 ( 12.741 -0.086 14.758) 19.497 32.331 ( 17.845 0.126 -11.581) 21.274 35.910 ( -4.879 0.110 -55.432) 55.647 81.110 ( -11.738 0.413 41.143) 42.786 85.348 ( -11.690 -0.688 -20.521) 23.627 ======================= Grid point 832 (246/511) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.876 ( 28.884 2.249 20.930) 35.741 5.336 ( 10.827 -1.622 24.095) 26.465 5.963 ( 7.953 -0.818 7.955) 11.278 7.078 ( -9.015 7.929 21.209) 24.371 7.246 ( -5.293 -7.333 10.325) 13.726 8.659 ( -0.466 0.303 -11.906) 11.919 9.863 ( 18.663 1.431 18.004) 25.971 10.024 ( 8.216 1.273 7.997) 11.536 10.141 ( 5.534 0.044 8.019) 9.743 10.333 ( -12.960 -2.067 10.923) 17.075 10.957 ( 3.532 -2.055 -9.258) 10.120 12.154 ( -1.797 0.678 -14.670) 14.795 12.834 ( 10.548 2.135 -15.029) 18.485 12.940 ( 1.081 -2.184 -18.577) 18.736 14.062 ( -0.352 1.522 2.363) 2.833 14.298 ( 1.121 -1.300 -2.570) 3.090 18.122 ( -3.887 0.008 34.742) 34.959 18.620 ( -17.510 1.301 32.422) 36.871 26.677 ( -2.063 0.019 61.559) 61.594 30.462 ( 9.793 -0.130 15.854) 18.635 32.631 ( 12.987 0.154 -11.241) 17.177 35.825 ( -3.760 0.154 -55.142) 55.270 80.932 ( -6.730 0.213 38.625) 39.207 85.148 ( -9.105 -0.349 -20.752) 22.664 ======================= Grid point 833 (247/511) ======================= q-point: ( 0.31 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.377 ( 17.007 3.268 21.174) 27.355 5.442 ( 9.165 -0.887 21.170) 23.086 6.157 ( 2.608 -3.363 9.951) 10.823 6.859 ( -2.474 5.487 30.353) 30.944 7.146 ( -9.085 -4.688 14.458) 17.707 8.609 ( -3.714 0.594 -13.948) 14.447 9.891 ( -2.839 3.403 -8.425) 9.519 9.988 ( -7.797 -1.660 -10.470) 13.159 10.278 ( 2.742 -0.554 29.448) 29.581 10.456 ( 14.176 0.075 25.043) 28.777 11.136 ( 14.165 -3.324 -9.544) 17.401 12.022 ( -10.850 1.547 -12.891) 16.921 12.916 ( 1.445 2.486 -19.097) 19.312 13.016 ( 3.524 -1.996 -19.475) 19.891 14.069 ( 1.112 1.100 3.213) 3.574 14.368 ( 4.306 -1.078 -2.330) 5.013 18.083 ( 0.134 0.268 36.794) 36.795 18.317 ( -12.992 0.535 35.637) 37.935 26.648 ( -0.932 -0.016 61.394) 61.401 30.611 ( 5.387 -0.104 16.644) 17.494 32.823 ( 6.764 0.109 -11.094) 12.993 35.767 ( -2.113 0.112 -54.998) 55.038 80.841 ( -2.863 0.010 37.084) 37.194 85.009 ( -5.194 -0.009 -20.698) 21.340 ======================= Grid point 834 (248/511) ======================= q-point: ( 0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.408 ( -2.236 -3.640 22.663) 23.062 5.719 ( -1.410 8.919 22.316) 24.074 6.069 ( 2.760 -6.398 19.198) 20.424 6.874 ( -13.015 -0.228 18.055) 22.259 7.096 ( 15.587 1.788 23.026) 27.863 8.539 ( -2.812 -0.726 -16.255) 16.513 9.842 ( -1.840 0.802 -9.282) 9.496 9.894 ( -0.619 -0.573 -8.453) 8.495 10.311 ( 0.121 -0.359 26.376) 26.378 10.592 ( 1.056 0.473 19.787) 19.821 11.461 ( 13.471 0.331 -6.355) 14.898 11.771 ( -11.079 -0.631 -12.038) 16.372 12.904 ( -1.409 1.528 -18.580) 18.696 13.060 ( 0.236 -1.395 -21.011) 21.058 14.068 ( -1.438 0.080 3.216) 3.523 14.435 ( 1.769 0.014 -2.944) 3.434 18.116 ( -2.525 0.437 38.150) 38.235 18.143 ( 1.285 -0.441 36.924) 36.949 26.640 ( 0.047 0.002 61.322) 61.323 30.665 ( 0.169 -0.004 16.964) 16.965 32.887 ( -0.173 0.003 -11.105) 11.106 35.744 ( -0.187 -0.001 -54.986) 54.987 80.815 ( 0.071 0.001 36.639) 36.639 84.955 ( -0.135 -0.004 -20.560) 20.560 ======================= Grid point 835 (249/511) ======================= q-point: (-0.56 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.218 ( -23.026 -3.170 24.589) 33.836 5.525 ( -2.587 2.923 26.287) 26.575 6.290 ( 2.797 0.995 10.019) 10.450 6.582 ( -9.025 -5.563 27.094) 29.094 7.411 ( 15.713 6.913 16.184) 23.593 8.523 ( 0.034 -3.600 -15.946) 16.347 9.820 ( 0.603 0.741 -4.400) 4.502 9.958 ( 4.393 -2.434 -6.743) 8.408 10.277 ( -4.705 -1.028 24.228) 24.702 10.523 ( -6.150 2.915 18.284) 19.509 11.347 ( -13.687 5.644 -10.347) 18.062 11.888 ( 12.331 -4.490 -9.534) 16.221 12.853 ( -3.565 -0.213 -17.212) 17.579 13.048 ( -1.409 -0.484 -21.283) 21.335 14.009 ( -4.630 -1.278 3.555) 5.976 14.433 ( -1.205 1.526 -3.371) 3.892 18.067 ( 0.256 -0.370 37.248) 37.251 18.283 ( 9.641 -0.840 37.213) 38.451 26.649 ( 0.926 0.030 61.338) 61.345 30.617 ( -5.079 0.146 16.737) 17.491 32.816 ( -7.111 -0.154 -11.202) 13.269 35.760 ( 1.741 -0.172 -55.101) 55.129 80.841 ( 2.534 -0.003 37.184) 37.271 85.009 ( 5.707 -0.015 -20.680) 21.453 ======================= Grid point 836 (250/511) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.717 ( -28.467 -3.755 24.719) 37.888 5.487 ( -2.793 5.101 26.751) 27.376 6.011 ( -18.359 0.570 11.955) 21.915 6.692 ( 4.577 -9.687 22.007) 24.476 7.603 ( 8.604 9.883 8.518) 15.629 8.560 ( 0.637 -5.464 -13.838) 14.891 9.804 ( -7.639 0.368 11.541) 13.845 9.946 ( -11.629 -2.075 7.944) 14.236 10.127 ( -5.500 -0.389 9.097) 10.638 10.480 ( 7.416 3.457 10.914) 13.640 11.117 ( -6.186 4.270 -8.787) 11.563 12.080 ( 4.662 -2.573 -12.765) 13.831 12.748 ( -8.776 -1.328 -14.994) 17.424 13.035 ( 1.095 1.797 -19.425) 19.539 13.938 ( -2.766 -3.477 3.468) 5.636 14.403 ( 0.198 2.892 -4.435) 5.298 18.123 ( 5.047 0.048 35.110) 35.471 18.507 ( 12.402 -3.212 36.267) 38.463 26.675 ( 1.793 -0.031 61.432) 61.459 30.473 ( -9.570 0.306 16.003) 18.649 32.618 ( -13.345 -0.353 -11.324) 17.505 35.812 ( 3.419 -0.387 -55.362) 55.469 80.915 ( 5.154 -0.468 38.596) 38.942 85.176 ( 11.716 0.736 -21.402) 24.410 ======================= Grid point 837 (251/511) ======================= q-point: (-0.44 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.175 ( -29.746 -4.452 23.053) 37.896 5.255 ( -17.171 10.053 25.044) 31.986 5.805 ( -3.515 -4.445 15.455) 16.461 6.703 ( -9.783 -11.625 16.015) 22.075 7.641 ( -0.768 9.703 1.743) 9.888 8.564 ( -3.683 -4.075 -13.193) 14.290 9.374 ( -27.860 3.094 26.762) 38.755 9.676 ( -16.459 -3.330 13.368) 21.464 10.165 ( 5.468 -0.864 3.549) 6.575 10.721 ( 16.153 1.895 5.826) 17.275 11.066 ( 2.288 4.146 -3.614) 5.957 12.086 ( -4.576 -1.482 -16.228) 16.926 12.491 ( -18.575 -0.565 -11.611) 21.913 13.081 ( 4.805 4.670 -16.570) 17.874 13.959 ( 2.582 -5.019 1.877) 5.948 14.454 ( 7.502 3.193 -6.801) 10.617 18.246 ( 7.710 1.018 32.246) 33.171 18.788 ( 14.013 -6.987 34.609) 37.986 26.720 ( 2.767 -0.297 61.597) 61.659 30.254 ( -12.628 0.429 14.907) 19.542 32.313 ( -18.214 -0.586 -11.430) 21.511 35.893 ( 4.649 -0.601 -55.795) 55.992 81.051 ( 8.477 -1.919 40.749) 41.665 85.447 ( 17.052 3.112 -22.966) 28.773 ======================= Grid point 838 (252/511) ======================= q-point: (-0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.622 ( -29.330 -4.669 22.788) 37.435 4.821 ( -21.295 10.343 24.809) 34.292 5.832 ( 1.885 -6.875 16.445) 17.924 6.413 ( -26.181 -12.301 13.399) 31.880 7.402 ( -20.911 8.605 -1.978) 22.699 8.446 ( -8.028 0.857 -9.249) 12.277 8.891 ( -18.971 2.473 24.771) 31.299 9.443 ( -7.778 -6.242 15.302) 18.265 10.261 ( 3.065 -0.784 4.728) 5.689 11.001 ( 11.322 2.859 8.376) 14.371 11.127 ( 5.182 3.627 5.095) 8.122 11.958 ( -8.203 -1.427 -20.644) 22.260 12.063 ( -23.949 0.366 -9.362) 25.716 13.148 ( 4.808 7.986 -15.204) 17.834 14.075 ( 6.611 -5.442 0.528) 8.579 14.661 ( 14.789 3.142 -9.061) 17.626 18.399 ( 8.687 2.187 29.500) 30.830 19.118 ( 15.482 -11.412 31.603) 36.996 26.787 ( 3.954 -0.859 61.770) 61.902 29.993 ( -13.784 0.482 13.645) 19.401 31.933 ( -21.145 -0.826 -11.461) 24.066 35.993 ( 5.271 -0.732 -56.395) 56.645 81.269 ( 12.679 -4.772 43.293) 45.363 85.789 ( 20.718 7.644 -25.449) 33.695 ======================= Grid point 839 (253/511) ======================= q-point: (-0.31 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( -24.951 -5.704 25.527) 36.148 4.332 ( -24.821 10.224 25.987) 37.362 5.805 ( -27.928 -9.157 15.737) 33.338 5.968 ( -4.865 -10.616 17.263) 20.842 6.789 ( -35.904 5.441 -1.060) 36.329 8.297 ( -5.501 5.020 -4.657) 8.784 8.638 ( -6.324 1.086 20.603) 21.579 9.436 ( 2.176 -7.284 11.651) 13.911 10.282 ( -0.920 0.280 4.942) 5.034 10.981 ( -12.130 2.709 8.274) 14.931 11.183 ( -3.600 3.943 12.263) 13.375 11.606 ( -16.697 -2.481 0.591) 16.891 11.931 ( 4.786 1.110 -27.519) 27.955 13.175 ( 2.688 10.923 -15.499) 19.151 14.258 ( 8.949 -6.412 0.555) 11.023 14.955 ( 16.490 4.076 -10.287) 19.858 18.551 ( 8.184 3.167 27.314) 28.689 19.496 ( 16.709 -15.507 26.447) 34.916 26.883 ( 5.340 -1.791 61.715) 61.972 29.730 ( -12.833 0.461 12.424) 17.867 31.520 ( -21.657 -0.967 -11.236) 24.418 36.098 ( 5.139 -0.680 -57.101) 57.336 81.592 ( 17.157 -9.338 45.216) 49.254 86.151 ( 21.645 14.201 -28.755) 38.692 ======================= Grid point 840 (254/511) ======================= q-point: (-0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -15.857 -7.647 31.102) 35.738 3.731 ( -32.796 8.097 26.874) 43.166 5.241 ( -25.760 -3.041 28.081) 38.227 5.901 ( -23.597 1.468 3.988) 23.976 6.203 ( -10.616 -12.903 9.681) 19.310 8.197 ( -1.805 6.751 -2.057) 7.285 8.611 ( 3.288 0.619 16.933) 17.260 9.558 ( 6.237 -6.659 9.246) 12.989 10.221 ( -5.476 1.969 4.303) 7.237 10.601 ( -22.557 0.353 4.432) 22.991 10.857 ( -22.309 1.412 9.567) 24.315 11.519 ( 1.280 0.315 12.663) 12.731 12.094 ( 10.529 1.448 -21.667) 24.134 13.146 ( 0.295 12.414 -17.029) 21.076 14.462 ( 8.111 -7.189 1.273) 10.913 15.228 ( 13.562 5.137 -10.812) 18.090 18.676 ( 6.328 3.691 25.692) 26.716 19.902 ( 16.079 -18.673 18.770) 30.976 27.010 ( 6.416 -3.145 60.856) 61.274 29.506 ( -9.884 0.390 11.429) 15.115 31.125 ( -19.129 -0.784 -10.346) 21.761 36.192 ( 4.142 -0.398 -57.780) 57.930 82.014 ( 19.611 -15.662 44.529) 51.115 86.459 ( 18.739 21.753 -32.447) 43.326 ======================= Grid point 841 (255/511) ======================= q-point: (-0.19 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -5.494 -9.162 37.467) 38.960 3.063 ( -29.149 5.075 30.971) 42.833 4.902 ( -9.207 5.117 38.508) 39.923 5.329 ( -25.047 1.469 -1.276) 25.123 6.268 ( 1.369 -18.195 12.060) 21.872 8.147 ( 0.195 9.157 -2.401) 9.468 8.748 ( 10.003 -2.120 16.055) 19.035 9.707 ( 2.966 -5.843 9.267) 11.350 9.978 ( -14.154 3.779 0.112) 14.650 10.310 ( -6.613 -1.099 9.042) 11.256 10.445 ( -18.629 -0.512 11.652) 21.980 11.537 ( 0.761 2.351 15.712) 15.906 12.269 ( 7.333 0.743 -15.961) 17.580 13.073 ( -1.022 12.695 -19.368) 23.180 14.624 ( 4.689 -7.274 1.689) 8.818 15.409 ( 7.568 5.619 -10.989) 14.477 18.753 ( 3.421 3.677 24.504) 25.013 20.269 ( 10.921 -20.273 9.551) 24.930 27.148 ( 5.354 -4.648 58.614) 59.041 29.355 ( -5.370 0.310 10.796) 12.062 30.817 ( -12.201 -0.165 -8.525) 14.885 36.257 ( 2.312 0.010 -58.205) 58.250 82.459 ( 15.135 -22.241 39.734) 47.985 86.631 ( 11.032 28.045 -34.916) 46.124 ======================= Grid point 842 (256/511) ======================= q-point: (-0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 0.000 -9.520 41.892) 42.960 2.722 ( -0.000 3.632 34.707) 34.896 4.787 ( -0.000 11.049 47.679) 48.943 5.067 ( 0.000 -2.409 -6.655) 7.077 6.372 ( 0.000 -17.422 11.024) 20.617 8.101 ( -0.000 10.687 -2.938) 11.084 8.917 ( 0.000 -5.722 15.241) 16.280 9.613 ( 0.000 -0.380 8.596) 8.605 9.955 ( 0.000 -0.106 -0.726) 0.734 10.197 ( 0.000 -1.951 17.045) 17.157 10.276 ( -0.000 0.526 9.368) 9.383 11.530 ( -0.000 2.487 16.470) 16.657 12.343 ( -0.000 0.135 -13.374) 13.375 12.999 ( -0.000 11.761 -20.729) 23.833 14.705 ( 0.000 -6.710 1.425) 6.859 15.456 ( -0.000 5.385 -10.879) 12.139 18.770 ( -0.000 3.156 23.804) 24.012 20.480 ( 0.000 -18.829 2.983) 19.064 27.231 ( 0.000 -5.011 56.454) 56.676 29.301 ( -0.000 0.249 10.594) 10.597 30.692 ( -0.000 0.236 -7.248) 7.252 36.278 ( -0.000 0.267 -58.121) 58.121 82.738 ( 0.000 -24.155 34.386) 42.022 86.595 ( -0.000 29.159 -32.725) 43.831 ======================= Grid point 847 (257/511) ======================= q-point: ( 0.19 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.887 ( 29.088 -0.000 20.698) 35.700 5.328 ( 11.134 -0.000 23.959) 26.420 5.959 ( 7.255 -0.000 7.744) 10.612 7.133 ( -13.317 0.000 25.580) 28.839 7.194 ( -1.039 0.000 6.028) 6.117 8.660 ( -0.340 0.000 -11.827) 11.832 9.870 ( 20.216 -0.000 19.214) 27.891 10.031 ( 6.900 -0.000 7.231) 9.995 10.141 ( 5.627 -0.000 7.847) 9.656 10.322 ( -13.166 0.000 11.023) 17.171 10.947 ( 3.337 -0.000 -9.389) 9.964 12.157 ( -1.626 0.000 -14.719) 14.808 12.846 ( 11.524 -0.000 -14.817) 18.771 12.927 ( 0.278 -0.000 -18.776) 18.778 14.070 ( -0.508 0.000 2.303) 2.359 14.291 ( 1.204 -0.000 -2.458) 2.738 18.122 ( -3.830 0.000 34.721) 34.931 18.626 ( -17.798 0.000 32.200) 36.791 26.677 ( -2.079 0.000 61.566) 61.601 30.461 ( 9.806 -0.000 15.846) 18.634 32.632 ( 12.965 -0.000 -11.237) 17.157 35.826 ( -3.779 0.000 -55.129) 55.258 80.933 ( -6.825 0.000 38.626) 39.224 85.146 ( -8.946 0.000 -20.710) 22.560 ======================= Grid point 848 (258/511) ======================= q-point: ( 0.25 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.401 ( 3.471 1.322 21.755) 22.070 5.436 ( 23.258 -0.372 19.495) 30.350 6.134 ( 2.059 -1.293 10.209) 10.495 6.899 ( -3.251 2.270 31.833) 32.079 7.112 ( -8.336 -1.962 13.145) 15.688 8.613 ( -3.916 0.167 -13.788) 14.334 9.922 ( -3.334 2.545 -7.896) 8.941 9.968 ( -7.999 -1.974 -11.844) 14.428 10.274 ( 3.019 -0.155 30.447) 30.596 10.457 ( 14.380 0.080 25.369) 29.161 11.114 ( 14.574 -1.180 -9.679) 17.535 12.032 ( -10.891 0.510 -13.052) 17.006 12.937 ( 0.781 1.492 -20.112) 20.183 12.998 ( 4.228 -1.318 -18.499) 19.021 14.077 ( 0.695 0.399 3.171) 3.270 14.361 ( 4.677 -0.384 -2.231) 5.196 18.085 ( 0.197 0.095 36.736) 36.737 18.320 ( -13.374 0.187 35.477) 37.914 26.648 ( -0.933 -0.005 61.399) 61.406 30.610 ( 5.420 -0.037 16.634) 17.495 32.823 ( 6.726 0.038 -11.082) 12.964 35.768 ( -2.153 0.039 -54.986) 55.028 80.841 ( -2.901 0.004 37.073) 37.186 85.009 ( -5.133 -0.004 -20.698) 21.325 ======================= Grid point 849 (259/511) ======================= q-point: ( 0.31 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.381 ( -2.690 -1.943 22.467) 22.711 5.810 ( -4.182 9.296 22.285) 24.506 5.996 ( 5.595 -8.108 19.531) 21.875 6.872 ( -15.406 -0.156 18.132) 23.794 7.112 ( 18.947 1.228 22.894) 29.743 8.533 ( -3.767 -0.519 -16.204) 16.645 9.850 ( -2.326 0.704 -7.624) 8.002 9.889 ( -0.776 -0.543 -10.225) 10.269 10.308 ( 0.019 -0.202 26.955) 26.956 10.595 ( 1.436 0.264 18.860) 18.916 11.465 ( 18.083 0.298 -5.774) 18.984 11.765 ( -14.957 -0.491 -12.215) 19.317 12.919 ( -1.997 1.313 -18.899) 19.050 13.046 ( 0.463 -1.217 -20.709) 20.750 14.069 ( -1.877 0.056 3.182) 3.695 14.435 ( 2.313 0.010 -2.952) 3.751 18.120 ( -4.560 0.467 37.762) 38.039 18.139 ( 2.940 -0.469 37.310) 37.429 26.640 ( 0.061 0.001 61.322) 61.322 30.665 ( 0.221 -0.003 16.964) 16.966 32.887 ( -0.225 0.002 -11.105) 11.107 35.744 ( -0.244 -0.001 -54.986) 54.987 80.815 ( 0.092 0.000 36.639) 36.639 84.955 ( -0.177 -0.003 -20.559) 20.559 ======================= Grid point 850 (260/511) ======================= q-point: (-0.62 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.192 ( -22.093 -2.012 25.261) 33.619 5.551 ( -4.068 2.333 27.212) 27.613 6.292 ( 7.191 -0.433 11.013) 13.161 6.539 ( -13.782 -3.072 25.874) 29.476 7.471 ( 17.421 5.040 16.639) 24.612 8.490 ( -1.431 -3.020 -16.666) 16.998 9.833 ( 0.997 1.702 -2.203) 2.957 9.933 ( 3.449 -2.541 -8.015) 9.088 10.268 ( -5.069 -0.804 23.826) 24.373 10.548 ( -4.750 2.023 16.823) 17.598 11.397 ( -14.919 4.354 -11.229) 19.174 11.847 ( 13.799 -3.718 -8.062) 16.409 12.853 ( -4.307 0.186 -17.086) 17.622 13.042 ( -0.750 -0.646 -21.452) 21.474 13.998 ( -5.296 -0.812 3.601) 6.455 14.446 ( -0.616 1.020 -3.598) 3.790 18.064 ( 0.290 -0.242 37.316) 37.317 18.276 ( 9.018 -0.568 37.551) 38.623 26.649 ( 0.926 0.021 61.325) 61.332 30.618 ( -5.018 0.096 16.755) 17.491 32.815 ( -7.179 -0.102 -11.224) 13.324 35.758 ( 1.665 -0.116 -55.122) 55.147 80.841 ( 2.474 -0.000 37.204) 37.286 85.008 ( 5.798 -0.014 -20.672) 21.470 ======================= Grid point 851 (261/511) ======================= q-point: (-0.56 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.686 ( -28.838 -2.677 25.620) 38.667 5.535 ( 0.268 4.592 27.586) 27.966 6.013 ( -21.167 -0.084 13.248) 24.971 6.606 ( 3.836 -7.530 21.512) 23.112 7.695 ( 9.132 8.630 9.031) 15.473 8.503 ( 0.028 -5.838 -14.933) 16.034 9.813 ( -7.261 1.452 12.938) 14.907 9.926 ( -10.089 -2.100 5.349) 11.611 10.124 ( -5.372 -0.187 9.322) 10.760 10.509 ( 5.865 2.382 10.516) 12.275 11.155 ( -6.780 3.270 -8.975) 11.714 12.056 ( 5.441 -2.177 -11.938) 13.299 12.738 ( -8.724 -0.812 -15.013) 17.382 13.050 ( 2.347 1.240 -19.798) 19.976 13.907 ( -3.771 -2.679 3.808) 5.991 14.428 ( 0.536 2.214 -4.904) 5.407 18.123 ( 5.413 0.059 35.195) 35.609 18.479 ( 11.058 -2.481 37.241) 38.927 26.675 ( 1.730 -0.021 61.398) 61.422 30.475 ( -9.514 0.233 16.041) 18.652 32.615 ( -13.429 -0.267 -11.347) 17.583 35.808 ( 3.329 -0.299 -55.415) 55.516 80.911 ( 4.777 -0.350 38.586) 38.882 85.182 ( 12.328 0.543 -21.546) 24.830 ======================= Grid point 852 (262/511) ======================= q-point: (-0.50 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.134 ( -29.729 -3.665 23.183) 37.877 5.354 ( -17.083 9.935 23.727) 30.879 5.762 ( -3.824 -4.240 18.491) 19.353 6.595 ( -10.337 -10.206 16.987) 22.351 7.733 ( -1.588 8.872 1.318) 9.108 8.517 ( -2.388 -5.338 -14.036) 15.205 9.405 ( -27.137 3.263 25.465) 37.357 9.646 ( -17.715 -2.821 12.622) 21.934 10.158 ( 5.192 -0.639 3.862) 6.502 10.738 ( 16.080 1.480 6.314) 17.339 11.105 ( 2.468 3.598 -3.099) 5.352 12.070 ( -4.471 -1.625 -16.071) 16.760 12.487 ( -17.887 -0.158 -12.062) 21.575 13.124 ( 6.145 4.017 -17.082) 18.592 13.912 ( 2.453 -4.390 2.460) 5.599 14.483 ( 7.259 2.675 -7.538) 10.801 18.257 ( 8.362 1.075 32.184) 33.270 18.723 ( 11.979 -6.136 36.666) 39.058 26.717 ( 2.585 -0.243 61.530) 61.585 30.258 ( -12.593 0.363 14.954) 19.553 32.308 ( -18.313 -0.485 -11.395) 21.575 35.887 ( 4.562 -0.521 -55.898) 56.086 81.033 ( 7.539 -1.591 40.616) 41.340 85.475 ( 18.566 2.554 -23.646) 30.173 ======================= Grid point 853 (263/511) ======================= q-point: (-0.44 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( -29.102 -3.662 21.393) 36.304 4.914 ( -21.964 8.395 22.081) 32.256 5.776 ( 1.008 -4.132 19.740) 20.193 6.296 ( -25.655 -11.456 15.087) 31.891 7.479 ( -22.284 7.011 -3.167) 23.575 8.447 ( -5.727 -0.675 -10.723) 12.176 8.918 ( -19.474 3.068 23.798) 30.903 9.385 ( -8.908 -5.609 16.127) 19.259 10.251 ( 3.192 -1.060 4.872) 5.921 11.027 ( 12.163 2.163 12.114) 17.303 11.168 ( 4.854 4.497 3.633) 7.549 11.940 ( -8.858 -2.000 -20.959) 22.842 12.069 ( -23.288 0.702 -10.635) 25.611 13.222 ( 6.191 6.880 -15.794) 18.306 14.027 ( 6.776 -4.257 1.295) 8.106 14.689 ( 14.769 2.473 -10.204) 18.121 18.423 ( 9.489 2.617 29.409) 31.013 19.006 ( 13.080 -11.117 34.844) 38.843 26.779 ( 3.602 -0.770 61.684) 61.794 29.998 ( -13.777 0.444 13.683) 19.422 31.925 ( -21.236 -0.729 -11.286) 24.060 35.986 ( 5.223 -0.714 -56.574) 56.819 81.224 ( 10.964 -4.247 43.001) 44.579 85.861 ( 23.321 6.735 -27.260) 36.502 ======================= Grid point 854 (264/511) ======================= q-point: (-0.38 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( -24.889 -3.526 22.291) 33.598 4.424 ( -25.550 8.227 23.185) 35.468 5.681 ( -28.025 -14.190 11.797) 33.555 5.903 ( -4.090 -3.889 23.915) 24.572 6.839 ( -38.091 4.782 -1.868) 38.436 8.328 ( -6.109 1.097 -3.321) 7.039 8.665 ( -4.793 4.392 18.098) 19.230 9.363 ( 1.961 -7.339 13.150) 15.186 10.281 ( -0.464 -0.398 5.054) 5.091 11.007 ( -13.370 2.378 13.544) 19.180 11.229 ( -2.571 5.135 7.517) 9.460 11.587 ( -16.899 -1.289 -0.484) 16.955 11.935 ( 5.037 -0.350 -27.092) 27.559 13.279 ( 3.727 9.828 -16.254) 19.357 14.203 ( 8.838 -4.686 1.598) 10.130 14.991 ( 16.873 3.185 -11.575) 20.708 18.587 ( 8.888 4.033 27.597) 29.272 19.339 ( 14.362 -16.203 30.610) 37.494 26.865 ( 4.757 -1.716 61.700) 61.907 29.735 ( -12.851 0.460 12.437) 17.889 31.511 ( -21.657 -0.891 -10.871) 24.249 36.091 ( 5.164 -0.781 -57.392) 57.629 81.502 ( 14.485 -8.724 45.020) 48.091 86.287 ( 25.146 13.143 -32.389) 43.059 ======================= Grid point 855 (265/511) ======================= q-point: (-0.31 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -15.860 -4.236 26.326) 31.025 3.807 ( -34.365 7.253 24.773) 42.980 5.180 ( -23.441 -9.430 21.554) 33.211 5.898 ( -12.463 -3.530 10.781) 16.853 6.116 ( -24.074 -3.050 9.110) 25.920 8.232 ( -2.938 0.141 1.488) 3.297 8.648 ( 4.844 7.055 13.366) 15.871 9.488 ( 6.451 -7.397 10.798) 14.592 10.237 ( -4.460 1.117 4.473) 6.415 10.609 ( -23.441 1.079 6.460) 24.339 10.869 ( -24.273 1.092 4.581) 24.726 11.530 ( 3.215 1.887 13.381) 13.890 12.104 ( 10.312 0.589 -20.964) 23.370 13.269 ( 0.939 12.184 -17.947) 21.712 14.396 ( 7.974 -5.934 2.602) 10.275 15.276 ( 13.916 4.437 -11.920) 18.853 18.718 ( 6.796 4.813 26.516) 27.792 19.708 ( 13.991 -20.462 23.894) 34.429 26.978 ( 5.567 -3.176 61.184) 61.519 29.510 ( -9.911 0.422 11.411) 15.120 31.118 ( -18.904 -0.735 -9.885) 21.345 36.187 ( 4.240 -0.648 -58.223) 58.381 81.861 ( 16.111 -15.112 45.317) 50.414 86.671 ( 22.433 20.829 -38.499) 49.185 ======================= Grid point 856 (266/511) ======================= q-point: (-0.25 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -5.397 -5.791 32.034) 32.998 3.115 ( -30.015 5.400 29.540) 42.458 4.921 ( -6.779 -1.983 28.565) 29.425 5.346 ( -27.050 1.126 2.292) 27.170 6.099 ( 1.148 -14.637 16.555) 22.128 8.206 ( 0.033 1.849 0.734) 1.990 8.763 ( 9.915 5.924 13.439) 17.721 9.649 ( 4.363 -5.928 10.715) 13.000 10.013 ( -14.861 3.285 -1.134) 15.262 10.296 ( -7.522 -1.759 9.644) 12.357 10.437 ( -18.700 -1.051 8.498) 20.567 11.567 ( 1.666 3.705 16.216) 16.717 12.275 ( 6.939 0.507 -15.626) 17.105 13.205 ( -0.568 13.647 -20.202) 24.386 14.553 ( 4.625 -7.004 3.170) 8.972 15.464 ( 7.741 5.410 -11.828) 15.135 18.796 ( 3.643 4.956 25.608) 26.336 20.051 ( 9.492 -23.431 15.975) 29.905 27.100 ( 4.525 -4.955 59.716) 60.092 29.358 ( -5.388 0.365 10.756) 12.035 30.815 ( -11.827 -0.126 -8.261) 14.427 36.255 ( 2.416 -0.341 -58.822) 58.872 82.238 ( 12.111 -22.180 42.833) 49.732 86.910 ( 13.665 27.812 -43.566) 53.463 ======================= Grid point 857 (267/511) ======================= q-point: (-0.19 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 0.000 -7.961 36.696) 37.550 2.764 ( -0.000 4.813 33.589) 33.932 4.884 ( -0.000 7.438 42.468) 43.115 5.039 ( 0.000 -3.239 -6.349) 7.128 6.193 ( 0.000 -17.720 13.740) 22.423 8.190 ( -0.000 6.072 -1.315) 6.213 8.886 ( -0.000 0.777 14.458) 14.479 9.608 ( 0.000 -0.491 8.563) 8.577 9.954 ( 0.000 -0.127 -0.736) 0.747 10.166 ( 0.000 -4.565 14.009) 14.734 10.282 ( -0.000 0.671 9.358) 9.382 11.562 ( -0.000 3.983 17.028) 17.488 12.345 ( -0.000 0.176 -13.353) 13.354 13.128 ( -0.000 14.052 -21.360) 25.567 14.634 ( 0.000 -7.435 2.833) 7.957 15.512 ( -0.000 5.818 -11.561) 12.943 18.808 ( -0.000 4.552 24.811) 25.225 20.267 ( 0.000 -23.773 9.987) 25.785 27.177 ( 0.000 -5.855 58.155) 58.449 29.304 ( -0.000 0.325 10.549) 10.554 30.694 ( -0.000 0.308 -7.217) 7.224 36.280 ( 0.000 -0.043 -58.842) 58.842 82.487 ( 0.000 -25.950 39.494) 47.256 86.898 ( -0.000 31.274 -42.996) 53.167 ======================= Grid point 864 (268/511) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.371 ( -2.847 0.000 22.398) 22.578 5.884 ( -21.668 0.000 24.252) 32.522 5.927 ( 23.082 -0.000 17.674) 29.071 6.871 ( -16.048 0.000 18.161) 24.235 7.118 ( 19.958 -0.000 22.847) 30.336 8.530 ( -4.120 0.000 -16.184) 16.700 9.854 ( -2.513 0.000 -6.395) 6.871 9.885 ( -0.794 0.000 -11.500) 11.527 10.307 ( -0.043 0.000 27.195) 27.195 10.597 ( 1.581 -0.000 18.466) 18.534 11.466 ( 19.821 -0.000 -5.501) 20.570 11.762 ( -16.438 0.000 -12.314) 20.538 12.926 ( -2.282 0.000 -19.055) 19.192 13.039 ( 0.622 -0.000 -20.558) 20.568 14.069 ( -2.031 0.000 3.169) 3.764 14.435 ( 2.505 -0.000 -2.956) 3.874 18.123 ( -6.785 0.000 37.443) 38.053 18.136 ( 5.031 -0.000 37.628) 37.963 26.640 ( 0.066 -0.000 61.321) 61.321 30.665 ( 0.239 -0.000 16.965) 16.966 32.887 ( -0.244 0.000 -11.105) 11.108 35.744 ( -0.265 0.000 -54.986) 54.987 80.815 ( 0.100 -0.000 36.639) 36.639 84.955 ( -0.191 0.000 -20.558) 20.559 ======================= Grid point 865 (269/511) ======================= q-point: (-0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.179 ( -21.554 -0.689 25.610) 33.480 5.568 ( -5.027 0.908 27.750) 28.216 6.286 ( 9.930 -0.436 11.905) 15.509 6.520 ( -16.572 -0.897 24.842) 29.876 7.506 ( 18.506 1.875 17.019) 25.212 8.468 ( -2.428 -1.202 -17.180) 17.392 9.849 ( 1.534 1.280 1.237) 2.349 9.911 ( 2.690 -1.515 -11.027) 11.451 10.262 ( -5.195 -0.296 23.638) 24.204 10.562 ( -4.091 0.710 16.034) 16.562 11.428 ( -16.245 1.727 -11.974) 20.255 11.820 ( 15.238 -1.525 -6.964) 16.823 12.855 ( -4.824 0.138 -17.011) 17.682 13.037 ( -0.291 -0.299 -21.553) 21.557 13.993 ( -5.653 -0.277 3.622) 6.720 14.453 ( -0.298 0.358 -3.723) 3.753 18.062 ( 0.302 -0.084 37.348) 37.350 18.272 ( 8.688 -0.201 37.738) 38.725 26.650 ( 0.926 0.007 61.318) 61.325 30.619 ( -4.984 0.034 16.766) 17.491 32.814 ( -7.215 -0.035 -11.236) 13.353 35.758 ( 1.624 -0.041 -55.133) 55.157 80.841 ( 2.443 0.000 37.214) 37.294 85.008 ( 5.847 -0.006 -20.668) 21.479 ======================= Grid point 866 (270/511) ======================= q-point: (-0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.665 ( -29.143 -1.385 26.213) 39.222 5.573 ( 2.913 2.866 28.246) 28.540 6.010 ( -23.478 -0.354 14.264) 27.474 6.548 ( 3.296 -4.139 20.882) 21.542 7.766 ( 9.702 5.385 10.028) 14.956 8.452 ( -0.676 -4.066 -16.246) 16.761 9.830 ( -7.685 1.663 16.193) 18.001 9.906 ( -8.505 -1.800 1.427) 8.810 10.123 ( -5.159 -0.042 9.440) 10.758 10.526 ( 4.803 1.185 10.089) 11.237 11.180 ( -7.206 1.788 -9.131) 11.768 12.039 ( 6.010 -1.260 -11.296) 12.857 12.732 ( -8.722 -0.376 -15.040) 17.390 13.060 ( 3.299 0.633 -20.077) 20.356 13.887 ( -4.514 -1.460 4.060) 6.245 14.445 ( 0.767 1.200 -5.221) 5.412 18.124 ( 5.685 0.042 35.247) 35.702 18.460 ( 10.133 -1.353 37.900) 39.254 26.675 ( 1.688 -0.010 61.374) 61.398 30.477 ( -9.476 0.125 16.067) 18.654 32.613 ( -13.484 -0.143 -11.364) 17.634 35.806 ( 3.267 -0.163 -55.450) 55.546 80.908 ( 4.528 -0.186 38.579) 38.844 85.186 ( 12.730 0.287 -21.639) 25.107 ======================= Grid point 867 (271/511) ======================= q-point: (-0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.104 ( -29.706 -2.406 23.320) 37.843 5.445 ( -19.154 8.408 20.947) 29.603 5.722 ( -1.542 -3.933 22.857) 23.245 6.508 ( -11.014 -7.258 17.274) 21.734 7.811 ( -2.696 6.758 1.421) 7.414 8.464 ( -1.079 -4.921 -14.879) 15.709 9.436 ( -26.510 2.818 24.687) 36.334 9.621 ( -18.783 -2.252 11.910) 22.355 10.153 ( 4.852 -0.347 4.143) 6.389 10.750 ( 16.153 0.909 6.479) 17.428 11.135 ( 2.703 2.466 -2.682) 4.536 12.056 ( -4.473 -1.257 -15.928) 16.591 12.487 ( -17.325 0.023 -12.416) 21.315 13.158 ( 7.128 2.766 -17.613) 19.201 13.875 ( 2.444 -3.057 3.028) 4.948 14.505 ( 7.032 1.788 -8.117) 10.888 18.267 ( 9.020 0.887 32.011) 33.270 18.671 ( 10.264 -4.269 38.377) 39.954 26.715 ( 2.449 -0.159 61.477) 61.526 30.261 ( -12.565 0.242 14.990) 19.561 32.304 ( -18.385 -0.318 -11.372) 21.620 35.883 ( 4.492 -0.354 -55.974) 56.155 81.020 ( 6.838 -1.045 40.510) 41.097 85.496 ( 19.688 1.664 -24.147) 31.200 ======================= Grid point 868 (272/511) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.551 ( -28.546 -2.466 20.238) 35.078 4.982 ( -23.332 5.261 18.805) 30.425 5.754 ( 1.136 -0.233 23.896) 23.924 6.189 ( -25.492 -10.131 15.977) 31.745 7.539 ( -23.737 5.142 -4.193) 24.646 8.434 ( -3.977 -1.655 -11.526) 12.304 8.950 ( -19.424 3.263 22.630) 30.001 9.335 ( -9.922 -4.510 16.927) 20.133 10.241 ( 3.216 -0.911 5.096) 6.094 11.043 ( 11.940 1.166 14.411) 18.752 11.212 ( 5.706 4.287 3.458) 7.931 11.921 ( -8.702 -1.724 -22.299) 23.999 12.075 ( -23.574 0.507 -10.969) 26.006 13.281 ( 6.929 4.820 -16.341) 18.392 13.992 ( 7.500 -2.702 1.983) 8.215 14.710 ( 14.582 1.690 -11.248) 18.493 18.450 ( 10.508 2.768 28.930) 30.904 18.904 ( 10.724 -9.265 38.011) 40.567 26.772 ( 3.313 -0.575 61.602) 61.694 30.002 ( -13.771 0.340 13.716) 19.439 31.919 ( -21.303 -0.537 -11.152) 24.051 35.979 ( 5.169 -0.570 -56.715) 56.953 81.188 ( 9.590 -3.155 42.732) 43.909 85.919 ( 25.381 4.955 -28.702) 38.633 ======================= Grid point 869 (273/511) ======================= q-point: (-0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -24.051 -1.416 19.136) 30.768 4.490 ( -26.107 5.106 20.087) 33.333 5.551 ( -30.363 -11.629 12.605) 34.872 5.874 ( -2.697 -2.449 25.996) 26.250 6.883 ( -39.001 4.102 -2.549) 39.299 8.322 ( -7.964 -2.052 -0.334) 8.231 8.720 ( -2.111 6.425 13.815) 15.381 9.294 ( 1.601 -6.522 14.926) 16.367 10.275 ( -0.079 -0.622 5.271) 5.309 11.026 ( -13.836 1.509 17.652) 22.479 11.279 ( -3.209 4.693 5.129) 7.657 11.583 ( -16.334 0.745 -2.542) 16.547 11.924 ( 5.447 -1.706 -26.994) 27.591 13.363 ( 4.338 6.953 -16.785) 18.679 14.169 ( 9.088 -2.238 2.473) 9.681 15.017 ( 17.141 2.133 -12.893) 21.554 18.630 ( 9.815 4.903 27.542) 29.647 19.183 ( 12.020 -15.111 34.717) 39.725 26.850 ( 4.253 -1.400 61.651) 61.813 29.739 ( -12.867 0.389 12.450) 17.908 31.503 ( -21.639 -0.700 -10.575) 24.095 36.083 ( 5.153 -0.735 -57.625) 57.859 81.424 ( 12.288 -6.993 44.721) 46.902 86.404 ( 27.961 10.412 -35.390) 46.289 ======================= Grid point 870 (274/511) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -14.971 -0.231 21.046) 25.828 3.871 ( -35.349 5.695 22.667) 42.376 5.061 ( -22.380 -14.132 17.017) 31.466 5.837 ( -11.678 -7.338 11.661) 18.061 6.139 ( -26.989 6.028 12.611) 30.393 8.207 ( -4.722 -4.580 5.990) 8.897 8.740 ( 7.107 10.773 8.741) 15.587 9.415 ( 6.672 -7.224 12.548) 15.942 10.244 ( -3.591 0.403 4.823) 6.027 10.621 ( -24.055 1.310 8.767) 25.636 10.878 ( -26.275 0.592 0.350) 26.284 11.556 ( 4.645 3.196 12.948) 14.122 12.105 ( 10.441 -0.248 -20.365) 22.887 13.377 ( 1.376 9.415 -18.564) 20.861 14.350 ( 7.864 -3.330 3.821) 9.356 15.314 ( 14.249 3.273 -13.120) 19.644 18.771 ( 7.344 5.988 27.503) 29.090 19.507 ( 12.058 -19.991 28.521) 36.857 26.949 ( 4.818 -2.752 61.374) 61.625 29.514 ( -9.938 0.389 11.394) 15.124 31.111 ( -18.680 -0.589 -9.500) 20.965 36.180 ( 4.278 -0.775 -58.572) 58.733 81.723 ( 13.250 -12.679 45.583) 49.134 86.860 ( 25.289 17.229 -43.479) 53.168 ======================= Grid point 871 (275/511) ======================= q-point: (-0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -4.859 -0.284 25.358) 25.821 3.168 ( -30.439 5.204 28.101) 41.753 4.859 ( -5.537 -10.558 20.803) 23.978 5.333 ( -28.482 -4.136 -0.283) 28.782 6.007 ( 0.773 -3.330 25.070) 25.302 8.184 ( -0.784 -5.541 5.888) 8.123 8.861 ( 10.968 13.162 9.182) 19.438 9.591 ( 6.349 -5.807 12.081) 14.832 10.043 ( -15.862 2.792 -1.836) 16.210 10.275 ( -9.805 -2.506 9.600) 13.949 10.426 ( -18.068 -1.103 5.963) 19.058 11.608 ( 2.403 4.472 15.921) 16.711 12.279 ( 6.795 0.229 -15.336) 16.775 13.332 ( -0.269 11.692 -20.790) 23.853 14.492 ( 4.502 -5.035 4.719) 8.239 15.513 ( 7.921 4.393 -12.768) 15.655 18.850 ( 3.889 6.155 27.229) 28.186 19.818 ( 8.193 -23.591 21.684) 33.074 27.053 ( 3.783 -4.488 60.512) 60.796 29.362 ( -5.408 0.365 10.712) 12.005 30.814 ( -11.468 -0.066 -8.031) 14.001 36.250 ( 2.471 -0.662 -59.302) 59.357 82.032 ( 9.673 -19.214 44.635) 49.548 87.165 ( 15.566 23.699 -50.521) 57.934 ======================= Grid point 872 (276/511) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 0.000 -2.762 29.911) 30.038 2.814 ( -0.000 5.308 32.285) 32.719 4.905 ( 0.000 -4.275 32.933) 33.210 5.005 ( 0.000 -3.636 -5.976) 6.995 6.052 ( 0.000 -9.785 20.598) 22.804 8.204 ( 0.000 -3.225 3.495) 4.756 8.948 ( -0.000 11.532 11.108) 16.012 9.603 ( 0.000 -0.525 8.523) 8.539 9.953 ( 0.000 -0.125 -0.752) 0.762 10.108 ( 0.000 -7.138 10.768) 12.919 10.289 ( -0.000 0.706 9.350) 9.377 11.606 ( -0.000 4.930 16.950) 17.652 12.346 ( -0.000 0.190 -13.328) 13.329 13.265 ( -0.000 13.319 -21.881) 25.616 14.565 ( 0.000 -6.343 4.481) 7.766 15.567 ( -0.000 5.150 -12.358) 13.388 18.859 ( -0.000 5.799 26.382) 27.012 20.024 ( 0.000 -25.198 16.779) 30.273 27.120 ( 0.000 -5.628 59.536) 59.802 29.307 ( -0.000 0.351 10.496) 10.502 30.698 ( -0.000 0.334 -7.180) 7.188 36.277 ( 0.000 -0.462 -59.445) 59.447 82.241 ( 0.000 -23.548 42.899) 48.937 87.192 ( -0.000 27.977 -51.536) 58.640 ======================= Grid point 881 (277/511) ======================= q-point: (-0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.659 ( -29.260 0.000 26.420) 39.423 5.588 ( 4.038 -0.000 28.511) 28.795 6.008 ( -24.451 0.000 14.657) 28.507 6.527 ( 3.091 -0.000 20.585) 20.816 7.794 ( 9.998 -0.000 10.626) 14.591 8.431 ( -1.031 0.000 -16.943) 16.975 9.840 ( -8.262 0.000 19.718) 21.379 9.895 ( -7.552 0.000 -2.303) 7.895 10.123 ( -5.051 0.000 9.472) 10.735 10.532 ( 4.425 -0.000 9.904) 10.848 11.189 ( -7.365 0.000 -9.189) 11.776 12.033 ( 6.222 -0.000 -11.052) 12.683 12.730 ( -8.728 0.000 -15.053) 17.400 13.063 ( 3.657 -0.000 -20.181) 20.510 13.879 ( -4.791 0.000 4.154) 6.341 14.451 ( 0.849 -0.000 -5.334) 5.401 18.124 ( 5.788 -0.000 35.264) 35.736 18.453 ( 9.802 -0.000 38.133) 39.372 26.675 ( 1.674 -0.000 61.366) 61.389 30.478 ( -9.463 0.000 16.076) 18.654 32.612 ( -13.503 0.000 -11.370) 17.652 35.805 ( 3.245 -0.000 -55.462) 55.557 80.907 ( 4.442 -0.000 38.576) 38.831 85.188 ( 12.870 -0.000 -21.670) 25.204 ======================= Grid point 883 (278/511) ======================= q-point: (-0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.088 ( -29.695 -0.838 23.407) 37.820 5.510 ( -24.149 3.976 16.477) 29.504 5.689 ( 3.804 -2.238 28.373) 28.714 6.457 ( -11.579 -2.677 17.189) 20.898 7.859 ( -3.612 2.662 1.787) 4.830 8.428 ( -0.106 -2.106 -15.578) 15.720 9.457 ( -26.126 1.235 24.586) 35.897 9.604 ( -19.408 -0.992 11.225) 22.442 10.151 ( 4.618 -0.103 4.312) 6.319 10.756 ( 16.230 0.303 6.494) 17.484 11.152 ( 2.871 0.880 -2.440) 3.869 12.047 ( -4.495 -0.472 -15.848) 16.480 12.487 ( -17.013 0.029 -12.609) 21.176 13.177 ( 7.640 0.995 -17.974) 19.556 13.854 ( 2.466 -1.105 3.403) 4.346 14.518 ( 6.901 0.629 -8.438) 10.919 18.273 ( 9.473 0.357 31.834) 33.216 18.641 ( 9.238 -1.545 39.391) 40.490 26.714 ( 2.376 -0.055 61.448) 61.494 30.262 ( -12.551 0.085 15.009) 19.565 32.302 ( -18.423 -0.111 -11.361) 21.644 35.880 ( 4.452 -0.125 -56.014) 56.191 81.013 ( 6.465 -0.364 40.452) 40.967 85.507 ( 20.282 0.577 -24.410) 31.742 ======================= Grid point 884 (279/511) ======================= q-point: (-0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.533 ( -27.993 -1.229 19.471) 34.121 5.018 ( -24.687 2.229 16.176) 29.599 5.766 ( 2.799 2.098 27.951) 28.169 6.103 ( -26.637 -6.979 15.686) 31.691 7.578 ( -24.889 2.787 -4.925) 25.524 8.418 ( -2.891 -1.350 -11.746) 12.172 8.979 ( -19.152 2.297 21.531) 28.908 9.298 ( -10.584 -2.714 17.585) 20.703 10.234 ( 3.200 -0.509 5.288) 6.202 11.051 ( 11.499 0.478 15.421) 19.242 11.247 ( 6.641 2.596 4.075) 8.213 11.907 ( -8.207 -0.975 -23.769) 25.165 12.079 ( -24.213 0.226 -10.883) 26.547 13.316 ( 7.086 2.397 -16.699) 18.298 13.973 ( 8.395 -1.223 2.441) 8.827 14.722 ( 14.368 0.855 -11.994) 18.736 18.475 ( 11.652 2.079 27.978) 30.378 18.829 ( 8.695 -5.594 40.772) 42.063 26.768 ( 3.124 -0.306 61.544) 61.624 30.004 ( -13.767 0.184 13.738) 19.449 31.915 ( -21.342 -0.283 -11.069) 24.043 35.975 ( 5.125 -0.317 -56.805) 57.036 81.164 ( 8.708 -1.675 42.543) 43.458 85.956 ( 26.688 2.613 -29.620) 39.955 ======================= Grid point 885 (280/511) ======================= q-point: (-0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( -22.817 -0.124 16.557) 28.192 4.525 ( -26.389 2.063 17.419) 31.687 5.460 ( -34.200 -6.798 13.962) 37.561 5.853 ( -0.633 -1.703 27.152) 27.213 6.918 ( -39.098 2.915 -3.090) 39.329 8.297 ( -9.535 -2.573 2.001) 10.077 8.782 ( 0.144 5.645 10.036) 11.515 9.237 ( 1.163 -4.845 16.892) 17.611 10.270 ( 0.192 -0.498 5.477) 5.503 11.038 ( -13.795 0.781 19.981) 24.293 11.316 ( -5.289 2.675 5.222) 7.899 11.600 ( -15.126 2.468 -4.824) 16.068 11.904 ( 6.196 -2.337 -27.378) 28.167 13.415 ( 4.468 3.641 -16.894) 17.850 14.157 ( 9.627 -0.328 2.922) 10.066 15.033 ( 17.279 1.154 -14.021) 22.281 18.682 ( 11.160 5.480 26.434) 29.212 19.047 ( 9.650 -12.256 38.906) 41.917 26.838 ( 3.887 -0.910 61.592) 61.721 29.742 ( -12.879 0.260 12.459) 17.922 31.497 ( -21.616 -0.442 -10.371) 23.979 36.077 ( 5.124 -0.526 -57.783) 58.012 81.367 ( 10.746 -4.493 44.430) 45.931 86.488 ( 29.886 6.619 -37.484) 48.395 ======================= Grid point 886 (281/511) ======================= q-point: (-0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -13.260 2.541 16.025) 20.954 3.917 ( -35.598 3.618 20.797) 41.386 4.919 ( -23.316 -13.894 15.275) 31.145 5.772 ( -15.798 -5.441 10.592) 19.783 6.207 ( -24.016 6.955 15.573) 29.456 8.155 ( -6.176 -5.371 8.915) 12.102 8.846 ( 9.139 10.328 5.301) 14.775 9.348 ( 6.700 -6.375 14.649) 17.324 10.246 ( -3.014 0.035 5.115) 5.937 10.633 ( -24.281 1.095 10.922) 26.646 10.881 ( -27.825 0.186 -2.478) 27.936 11.590 ( 5.241 3.478 11.599) 13.195 12.100 ( 10.872 -0.761 -19.901) 22.689 13.450 ( 1.565 5.441 -18.591) 19.434 14.331 ( 7.831 -0.626 4.519) 9.063 15.340 ( 14.504 2.010 -14.257) 20.437 18.836 ( 7.989 7.396 28.409) 30.423 19.320 ( 10.403 -17.860 32.164) 38.232 26.925 ( 4.249 -2.002 61.448) 61.627 29.518 ( -9.961 0.297 11.379) 15.126 31.106 ( -18.491 -0.400 -9.221) 20.667 36.172 ( 4.272 -0.695 -58.807) 58.966 81.615 ( 11.174 -9.044 45.520) 47.736 87.005 ( 27.230 12.091 -47.041) 55.683 ======================= Grid point 887 (282/511) ======================= q-point: (-0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -3.591 4.970 18.261) 19.262 3.215 ( -30.545 4.341 26.815) 40.877 4.720 ( -6.049 -16.851 16.719) 24.497 5.276 ( -28.216 -6.380 -3.739) 29.169 6.023 ( -0.354 5.176 31.260) 31.688 8.115 ( -1.767 -7.783 9.663) 12.533 9.003 ( 12.736 14.777 6.540) 20.575 9.534 ( 8.232 -5.773 13.622) 16.931 10.068 ( -16.616 2.411 -2.179) 16.931 10.248 ( -13.265 -2.982 8.699) 16.140 10.417 ( -16.763 -0.785 4.529) 17.382 11.652 ( 2.846 4.312 14.949) 15.816 12.280 ( 6.877 0.004 -15.096) 16.589 13.429 ( -0.116 7.723 -20.846) 22.231 14.457 ( 4.344 -2.130 5.892) 7.623 15.549 ( 8.071 3.019 -13.720) 16.201 18.917 ( 4.115 7.424 29.520) 30.716 19.595 ( 7.195 -21.501 25.544) 34.155 27.014 ( 3.208 -3.502 60.971) 61.156 29.365 ( -5.426 0.309 10.671) 11.976 30.814 ( -11.172 -0.018 -7.856) 13.658 36.243 ( 2.481 -0.775 -59.616) 59.673 81.865 ( 7.889 -14.615 45.411) 48.353 87.370 ( 16.776 17.630 -55.416) 60.524 ======================= Grid point 888 (283/511) ======================= q-point: (-0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -0.000 3.866 22.159) 22.493 2.865 ( -0.000 5.011 30.995) 31.397 4.794 ( 0.000 -17.529 22.323) 28.383 4.969 ( 0.000 -3.493 -5.587) 6.589 6.011 ( -0.000 1.004 28.851) 28.868 8.142 ( 0.000 -8.265 8.278) 11.697 9.096 ( -0.000 17.530 9.061) 19.733 9.598 ( 0.000 -0.479 8.484) 8.498 9.952 ( 0.000 -0.105 -0.771) 0.778 10.027 ( 0.000 -9.160 7.198) 11.650 10.296 ( -0.000 0.635 9.346) 9.367 11.656 ( -0.000 4.967 16.197) 16.942 12.348 ( -0.000 0.176 -13.303) 13.304 13.382 ( -0.000 10.007 -22.044) 24.209 14.514 ( 0.000 -3.790 5.994) 7.091 15.612 ( -0.000 3.869 -13.205) 13.760 18.921 ( -0.000 6.977 28.711) 29.547 19.781 ( 0.000 -23.780 21.842) 32.289 27.068 ( 0.000 -4.675 60.426) 60.607 29.311 ( -0.000 0.325 10.444) 10.449 30.701 ( -0.000 0.308 -7.144) 7.151 36.271 ( 0.000 -0.744 -59.852) 59.856 82.031 ( 0.000 -18.932 44.681) 48.526 87.439 ( -0.000 21.967 -57.641) 61.685 ======================= Grid point 899 (284/511) ======================= q-point: (-0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.526 ( -27.765 0.000 19.201) 33.757 5.029 ( -25.239 0.000 15.214) 29.470 5.780 ( 4.452 -0.000 30.040) 30.368 6.065 ( -28.057 0.000 14.953) 31.793 7.592 ( -25.338 0.000 -5.195) 25.865 8.411 ( -2.514 0.000 -11.758) 12.024 8.991 ( -19.025 0.000 21.055) 28.377 9.284 ( -10.801 0.000 17.868) 20.879 10.231 ( 3.189 -0.000 5.362) 6.239 11.053 ( 11.319 -0.000 15.697) 19.353 11.260 ( 7.006 -0.000 4.429) 8.288 11.903 ( -7.957 0.000 -24.406) 25.670 12.080 ( -24.522 0.000 -10.801) 26.795 13.328 ( 7.060 -0.000 -16.816) 18.238 13.967 ( 8.804 -0.000 2.596) 9.179 14.726 ( 14.276 -0.000 -12.266) 18.822 18.486 ( 12.268 -0.000 27.325) 29.953 18.801 ( 7.769 -0.000 42.063) 42.774 26.766 ( 3.059 -0.000 61.523) 61.599 30.005 ( -13.765 0.000 13.745) 19.453 31.914 ( -21.355 0.000 -11.041) 24.040 35.973 ( 5.109 -0.000 -56.835) 57.064 81.155 ( 8.405 -0.000 42.475) 43.299 85.969 ( 27.135 -0.000 -29.934) 40.402 ======================= Grid point 901 (285/511) ======================= q-point: (-0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( -21.893 0.122 15.080) 26.585 4.535 ( -26.521 0.387 15.933) 30.942 5.416 ( -36.949 -2.111 14.735) 39.834 5.842 ( 0.789 -0.638 27.809) 27.828 6.938 ( -38.951 1.073 -3.408) 39.115 8.278 ( -10.359 -1.100 3.139) 10.880 8.823 ( 1.435 2.315 7.629) 8.101 9.203 ( 0.784 -1.911 18.513) 18.628 10.266 ( 0.329 -0.185 5.596) 5.609 11.042 ( -13.674 0.239 20.981) 25.045 11.332 ( -7.015 0.756 5.797) 9.132 11.623 ( -14.489 1.516 -5.828) 15.691 11.884 ( 7.128 -1.239 -28.099) 29.015 13.437 ( 4.391 1.049 -16.773) 17.370 14.157 ( 10.073 0.146 3.024) 10.518 15.040 ( 17.324 0.354 -14.686) 22.714 18.731 ( 13.184 3.540 23.117) 26.847 18.953 ( 7.090 -5.912 43.889) 44.849 26.832 ( 3.696 -0.315 61.554) 61.665 29.744 ( -12.886 0.091 12.465) 17.929 31.494 ( -21.600 -0.151 -10.268) 23.917 36.074 ( 5.102 -0.191 -57.861) 58.086 81.337 ( 9.955 -1.547 44.254) 45.386 86.532 ( 30.856 2.264 -38.550) 49.430 ======================= Grid point 902 (286/511) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -11.415 2.561 12.275) 16.957 3.942 ( -35.320 1.534 19.442) 40.346 4.805 ( -25.357 -8.480 15.198) 30.755 5.732 ( -18.336 -2.732 9.809) 20.973 6.265 ( -21.759 4.312 16.835) 27.848 8.110 ( -7.117 -3.451 10.509) 13.153 8.933 ( 10.815 6.810 2.337) 12.992 9.293 ( 6.347 -4.400 17.232) 18.884 10.246 ( -2.708 -0.054 5.278) 5.933 10.642 ( -24.278 0.610 12.435) 27.284 10.882 ( -28.732 0.009 -3.952) 29.003 11.619 ( 5.217 2.314 10.204) 11.691 12.092 ( 11.392 -0.674 -19.602) 22.682 13.486 ( 1.589 2.138 -18.183) 18.377 14.332 ( 7.853 0.527 4.653) 9.144 15.354 ( 14.658 0.906 -15.103) 21.066 18.918 ( 8.924 9.159 28.237) 30.997 19.159 ( 8.867 -14.741 35.289) 39.259 26.910 ( 3.896 -1.049 61.460) 61.592 29.520 ( -9.976 0.161 11.369) 15.126 31.103 ( -18.367 -0.200 -9.055) 20.479 36.167 ( 4.251 -0.410 -58.938) 59.093 81.548 ( 9.924 -4.691 45.366) 46.675 87.095 ( 28.334 6.193 -49.140) 57.060 ======================= Grid point 903 (287/511) ======================= q-point: (-0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -1.753 6.910 11.960) 13.923 3.251 ( -30.460 2.834 25.828) 40.037 4.551 ( -8.216 -15.987 15.102) 23.477 5.222 ( -27.184 -4.279 -4.525) 27.889 6.083 ( -1.129 6.037 33.120) 33.685 8.043 ( -2.560 -6.274 11.915) 13.707 9.140 ( 14.801 12.666 4.700) 20.040 9.477 ( 9.403 -5.885 15.837) 19.335 10.090 ( -16.674 2.026 -2.352) 16.961 10.219 ( -17.039 -2.771 7.451) 18.802 10.411 ( -15.472 -0.420 3.952) 15.974 11.690 ( 3.024 3.151 13.776) 14.452 12.279 ( 7.081 -0.101 -14.912) 16.509 13.484 ( -0.062 3.674 -20.321) 20.651 14.448 ( 4.193 0.038 6.378) 7.633 15.572 ( 8.172 1.660 -14.535) 16.757 18.997 ( 4.234 8.944 32.926) 34.381 19.399 ( 6.598 -18.034 26.512) 32.736 26.986 ( 2.824 -2.207 61.184) 61.289 29.368 ( -5.440 0.206 10.640) 11.952 30.814 ( -10.964 0.004 -7.742) 13.422 36.236 ( 2.467 -0.614 -59.791) 59.845 81.748 ( 6.731 -9.093 45.613) 46.995 87.509 ( 17.458 10.746 -58.426) 61.918 ======================= Grid point 904 (288/511) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -0.000 8.595 14.521) 16.874 2.910 ( -0.000 3.915 29.908) 30.163 4.591 ( 0.000 -21.894 16.403) 27.357 4.938 ( 0.000 -2.771 -5.244) 5.931 6.050 ( -0.000 5.724 33.284) 33.773 8.058 ( 0.000 -8.237 11.352) 14.025 9.275 ( -0.000 18.217 10.710) 21.132 9.594 ( 0.000 -0.363 8.451) 8.459 9.930 ( 0.000 -10.597 2.540) 10.897 9.951 ( 0.000 -0.074 -0.789) 0.792 10.301 ( -0.000 0.476 9.344) 9.356 11.701 ( -0.000 4.042 15.090) 15.622 12.350 ( -0.000 0.134 -13.281) 13.282 13.459 ( -0.000 5.633 -21.631) 22.353 14.491 ( 0.000 -1.021 6.916) 6.991 15.642 ( -0.000 2.414 -14.004) 14.211 18.996 ( -0.000 8.231 32.206) 33.242 19.562 ( 0.000 -20.461 23.992) 31.532 27.029 ( 0.000 -3.298 60.899) 60.988 29.314 ( -0.000 0.248 10.399) 10.402 30.704 ( -0.000 0.236 -7.113) 7.117 36.263 ( 0.000 -0.744 -60.084) 60.089 81.873 ( 0.000 -13.143 45.394) 47.258 87.621 ( -0.000 14.867 -61.516) 63.287 ======================= Grid point 917 (289/511) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( -10.585 0.000 10.855) 15.162 3.949 ( -35.103 0.000 18.935) 39.885 4.762 ( -26.422 0.000 15.387) 30.576 5.718 ( -19.125 0.000 9.543) 21.374 6.287 ( -20.975 0.000 17.143) 27.089 8.092 ( -7.448 0.000 11.032) 13.310 8.969 ( 11.642 -0.000 0.605) 11.658 9.270 ( 5.974 -0.000 18.905) 19.826 10.245 ( -2.615 0.000 5.328) 5.935 10.645 ( -24.249 0.000 12.976) 27.503 10.882 ( -29.022 0.000 -4.392) 29.353 11.631 ( 5.108 -0.000 9.626) 10.898 12.089 ( 11.638 -0.000 -19.499) 22.708 13.496 ( 1.577 -0.000 -17.938) 18.008 14.335 ( 7.871 -0.000 4.621) 9.127 15.358 ( 14.708 -0.000 -15.421) 21.310 19.001 ( 12.691 -0.000 16.167) 20.553 19.048 ( 4.903 -0.000 48.382) 48.630 26.905 ( 3.777 -0.000 61.457) 61.573 29.521 ( -9.982 0.000 11.366) 15.127 31.102 ( -18.323 0.000 -9.001) 20.415 36.165 ( 4.240 -0.000 -58.980) 59.132 81.524 ( 9.507 -0.000 45.294) 46.281 87.126 ( 28.689 -0.000 -49.829) 57.498 ======================= Grid point 919 (290/511) ======================= q-point: (-0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -0.210 3.354 8.029) 8.704 3.270 ( -30.336 0.962 25.287) 39.505 4.434 ( -10.203 -6.656 14.965) 19.296 5.194 ( -26.519 -1.428 -4.498) 26.935 6.128 ( -1.392 2.477 33.327) 33.448 7.999 ( -2.994 -2.393 13.019) 13.571 9.240 ( 17.206 6.589 1.096) 18.457 9.424 ( 8.920 -4.102 20.033) 22.310 10.106 ( -15.867 0.994 -2.575) 16.105 10.197 ( -20.107 -1.319 6.731) 21.245 10.408 ( -14.731 -0.128 3.785) 15.210 11.711 ( 3.056 1.162 12.987) 13.392 12.279 ( 7.250 -0.058 -14.807) 16.487 13.506 ( -0.054 0.963 -19.750) 19.773 14.451 ( 4.100 0.337 6.419) 7.624 15.583 ( 8.221 0.513 -15.019) 17.130 19.091 ( 3.757 9.544 41.074) 42.336 19.245 ( 6.854 -12.681 20.630) 25.167 26.971 ( 2.634 -0.752 61.258) 61.320 29.369 ( -5.447 0.072 10.624) 11.939 30.814 ( -10.859 0.004 -7.687) 13.304 36.231 ( 2.453 -0.232 -59.867) 59.918 81.688 ( 6.162 -3.083 45.613) 46.131 87.580 ( 17.759 3.599 -59.839) 62.522 ======================= Grid point 920 (291/511) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -0.000 7.654 8.480) 11.424 2.940 ( -0.000 2.151 29.184) 29.263 4.400 ( 0.000 -15.269 14.822) 21.280 4.916 ( 0.000 -1.538 -5.006) 5.237 6.103 ( -0.000 4.374 34.535) 34.811 7.991 ( 0.000 -5.008 13.086) 14.012 9.442 ( -0.000 14.935 17.392) 22.925 9.591 ( 0.000 -0.195 8.430) 8.432 9.823 ( 0.000 -10.574 -5.411) 11.878 9.950 ( 0.000 -0.038 -0.802) 0.802 10.305 ( -0.000 0.254 9.344) 9.347 11.732 ( -0.000 2.280 14.119) 14.302 12.351 ( -0.000 0.073 -13.267) 13.268 13.496 ( -0.000 2.146 -20.894) 21.004 14.489 ( -0.000 0.302 7.186) 7.193 15.660 ( -0.000 1.104 -14.602) 14.644 19.083 ( -0.000 9.226 38.498) 39.588 19.383 ( 0.000 -15.641 21.207) 26.352 27.004 ( 0.000 -1.697 61.102) 61.126 29.316 ( -0.000 0.134 10.369) 10.370 30.705 ( -0.000 0.128 -7.092) 7.093 36.257 ( 0.000 -0.459 -60.195) 60.197 81.775 ( 0.000 -6.717 45.583) 46.076 87.731 ( -0.000 7.455 -63.606) 64.041 ======================= Grid point 936 (292/511) ======================= q-point: ( 0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -0.000 0.000 6.034) 6.034 2.951 ( -0.000 0.000 28.930) 28.930 4.320 ( -0.000 0.000 14.816) 14.816 4.909 ( -0.000 0.000 -4.921) 4.921 6.126 ( -0.000 0.000 34.700) 34.700 7.965 ( -0.000 0.000 13.665) 13.665 9.532 ( -0.000 0.000 28.301) 28.301 9.590 ( -0.000 0.000 8.422) 8.422 9.755 ( -0.000 0.000 -16.648) 16.648 9.950 ( -0.000 0.000 -0.806) 0.806 10.306 ( -0.000 0.000 9.344) 9.344 11.744 ( -0.000 0.000 13.734) 13.734 12.351 ( -0.000 0.000 -13.262) 13.262 13.505 ( -0.000 0.000 -20.526) 20.526 14.492 ( -0.000 0.000 7.198) 7.198 15.665 ( -0.000 0.000 -14.827) 14.827 19.150 ( 0.000 -0.000 51.406) 51.406 19.284 ( -0.000 0.000 9.487) 9.487 26.996 ( -0.000 0.000 61.156) 61.156 29.316 ( -0.000 0.000 10.358) 10.358 30.706 ( -0.000 0.000 -7.085) 7.085 36.255 ( -0.000 0.000 -60.227) 60.227 81.742 ( -0.000 0.000 45.606) 45.606 87.767 ( -0.000 0.000 -64.261) 64.261 ======================= Grid point 1060 (293/511) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 511 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( 0.000 0.000 29.443) 29.443 3.661 ( 0.000 0.000 44.611) 44.611 4.917 ( 0.000 0.000 -9.998) 9.998 5.481 ( 0.000 0.000 27.877) 27.877 6.691 ( 0.000 0.000 3.364) 3.364 7.839 ( 0.000 0.000 -9.239) 9.239 9.314 ( 0.000 0.000 15.155) 15.155 9.760 ( 0.000 0.000 5.116) 5.116 9.939 ( 0.000 0.000 -0.954) 0.954 10.428 ( 0.000 0.000 -0.728) 0.728 10.532 ( 0.000 0.000 15.503) 15.503 11.917 ( 0.000 0.000 23.003) 23.003 12.033 ( 0.000 0.000 -16.193) 16.193 12.645 ( 0.000 0.000 -1.473) 1.473 14.830 ( 0.000 0.000 3.962) 3.962 15.208 ( 0.000 0.000 -7.507) 7.507 19.153 ( 0.000 0.000 17.364) 17.364 20.499 ( 0.000 0.000 -12.587) 12.587 28.573 ( 0.000 0.000 68.694) 68.694 29.538 ( 0.000 0.000 12.234) 12.234 30.516 ( 0.000 0.000 -9.344) 9.344 34.946 ( 0.000 0.000 -69.859) 69.859 83.600 ( 0.000 0.000 28.982) 28.982 85.823 ( 0.000 0.000 -22.309) 22.309 ======================= Grid point 1061 (294/511) ======================= q-point: ( 0.06 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( 19.207 3.081 29.214) 35.098 3.658 ( 5.013 1.278 39.934) 40.267 5.162 ( 23.519 1.393 -8.152) 24.931 5.576 ( 9.735 -2.330 26.265) 28.108 6.660 ( -1.985 4.400 3.861) 6.181 7.854 ( 0.766 -3.718 -9.352) 10.093 9.144 ( -10.559 1.277 14.663) 18.114 9.833 ( -7.645 0.488 -1.413) 7.790 10.020 ( 19.171 -0.060 5.699) 20.001 10.552 ( 3.055 0.244 14.020) 14.351 10.639 ( 18.200 -0.201 -0.367) 18.204 11.906 ( -1.528 -0.568 22.068) 22.128 11.943 ( -8.511 -0.391 -12.934) 15.488 12.675 ( 1.865 -2.312 -3.346) 4.474 14.772 ( -5.547 1.469 3.554) 6.750 15.143 ( -6.940 -1.387 -7.432) 10.262 19.133 ( -2.307 -0.767 17.729) 17.895 20.428 ( -6.596 2.049 -10.045) 12.191 28.527 ( -4.248 0.715 69.266) 69.400 29.596 ( 5.867 -0.059 12.503) 13.811 30.624 ( 10.777 -0.030 -9.893) 14.629 34.927 ( -1.844 0.235 -69.776) 69.801 83.453 ( -13.465 4.208 31.762) 34.754 85.775 ( -5.919 -3.578 -22.964) 23.983 ======================= Grid point 1062 (295/511) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.705 ( 9.731 9.713 37.713) 40.141 4.147 ( 28.547 -4.238 24.212) 37.671 5.693 ( 30.589 7.357 -2.088) 31.530 5.914 ( 23.148 -7.167 16.092) 29.089 6.590 ( -1.468 6.208 5.752) 8.589 7.910 ( 2.921 -5.165 -9.816) 11.470 9.003 ( -2.479 1.486 15.398) 15.667 9.703 ( -4.763 1.151 -1.390) 5.094 10.311 ( 8.256 -0.702 6.886) 10.774 10.719 ( 15.288 0.487 8.942) 17.718 11.039 ( 21.094 -0.697 -3.311) 21.364 11.737 ( -11.349 -0.305 -5.123) 12.455 11.873 ( -2.137 -0.859 21.232) 21.357 12.714 ( 0.080 -4.262 -6.729) 7.966 14.610 ( -9.670 2.938 2.455) 10.400 14.963 ( -12.316 -2.280 -7.261) 14.478 19.075 ( -4.086 -1.267 18.783) 19.264 20.238 ( -11.178 3.477 -3.811) 12.311 28.421 ( -5.821 1.036 70.539) 70.786 29.759 ( 10.817 -0.146 13.269) 17.120 30.907 ( 17.750 0.087 -11.157) 20.966 34.874 ( -3.390 0.480 -69.520) 69.604 83.086 ( -20.537 5.897 37.189) 42.891 85.632 ( -10.967 -5.018 -24.352) 27.175 ======================= Grid point 1063 (296/511) ======================= q-point: ( 0.19 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.930 ( 18.382 9.449 33.719) 39.549 4.682 ( 23.836 -5.828 22.591) 33.354 6.189 ( 17.496 8.383 4.162) 19.842 6.346 ( 17.066 1.343 3.842) 17.545 6.723 ( 22.901 -3.310 6.887) 24.142 8.025 ( 6.802 -3.516 -11.081) 13.469 9.052 ( 8.536 1.037 16.343) 18.467 9.652 ( 0.696 2.478 -0.067) 2.575 10.396 ( 1.827 -0.977 7.377) 7.663 10.997 ( 8.708 -0.253 4.503) 9.807 11.299 ( -2.886 -4.107 -18.271) 18.948 11.647 ( 9.231 0.833 16.925) 19.297 11.882 ( 5.261 1.164 17.668) 18.471 12.714 ( -2.692 -5.690 -10.973) 12.650 14.390 ( -10.737 4.016 1.161) 11.522 14.709 ( -14.536 -2.386 -6.978) 16.300 18.992 ( -5.030 -1.372 20.369) 21.026 19.979 ( -13.437 3.997 3.545) 14.460 28.305 ( -5.432 0.973 71.709) 71.921 30.004 ( 14.100 -0.256 14.420) 20.169 31.283 ( 20.767 0.255 -12.415) 24.196 34.795 ( -4.392 0.674 -69.114) 69.256 82.650 ( -20.857 5.237 41.062) 46.352 85.410 ( -14.077 -4.460 -25.636) 29.584 ======================= Grid point 1064 (297/511) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.309 ( 24.552 6.950 29.570) 39.058 5.140 ( 21.168 -6.034 21.072) 30.471 6.190 ( -4.302 3.650 8.483) 10.188 6.772 ( 21.967 4.946 0.596) 22.525 7.244 ( 22.473 -5.513 3.855) 23.458 8.194 ( 8.993 -0.074 -13.184) 15.959 9.333 ( 21.053 0.551 17.166) 27.170 9.717 ( 7.493 3.741 1.277) 8.472 10.405 ( -1.586 -0.435 8.571) 8.728 10.980 ( -8.287 -0.592 -0.089) 8.308 11.131 ( -11.833 -5.603 -1.972) 13.240 11.901 ( 11.215 0.037 13.223) 17.339 12.102 ( 16.629 2.535 8.130) 18.683 12.671 ( -4.449 -5.584 -16.201) 17.704 14.188 ( -7.288 3.963 0.728) 8.328 14.453 ( -12.233 -1.783 -6.152) 13.808 18.899 ( -5.103 -1.136 22.190) 22.798 19.692 ( -14.119 3.615 10.313) 17.854 28.206 ( -4.330 0.691 72.440) 72.572 30.293 ( 15.244 -0.352 15.795) 21.955 31.686 ( 20.621 0.380 -13.331) 24.557 34.703 ( -4.718 0.738 -68.646) 68.812 82.256 ( -17.314 3.482 42.272) 45.813 85.146 ( -14.749 -2.987 -26.412) 30.398 ======================= Grid point 1065 (298/511) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.787 ( 27.178 4.110 26.069) 37.883 5.574 ( 20.810 -5.582 19.926) 29.347 6.095 ( -3.831 0.098 9.783) 10.507 7.084 ( 12.373 2.301 1.399) 12.663 7.554 ( 7.461 -2.299 5.986) 9.838 8.334 ( 5.256 2.118 -14.218) 15.306 9.806 ( 18.483 3.014 8.208) 20.447 9.874 ( 15.684 1.513 5.796) 16.789 10.330 ( -5.370 -0.203 11.749) 12.919 10.831 ( -5.491 -1.249 6.638) 8.705 10.948 ( -8.295 -4.458 1.631) 9.557 12.033 ( 2.726 -0.178 7.871) 8.332 12.387 ( 11.549 2.204 -2.356) 11.991 12.605 ( -4.039 -3.730 -19.474) 20.235 14.087 ( -1.478 3.313 2.030) 4.157 14.290 ( -4.633 -1.583 -4.080) 6.373 18.811 ( -4.330 -0.703 23.864) 24.264 19.406 ( -13.795 2.564 15.860) 21.176 28.132 ( -3.109 0.359 72.808) 72.875 30.581 ( 14.100 -0.387 17.217) 22.257 32.059 ( 17.885 0.426 -13.925) 22.671 34.610 ( -4.354 0.657 -68.242) 68.384 81.955 ( -12.464 1.664 41.751) 43.604 84.885 ( -13.137 -1.493 -26.615) 29.718 ======================= Grid point 1066 (299/511) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.293 ( 26.313 2.251 23.387) 35.276 5.927 ( 6.666 -4.979 25.514) 26.837 6.116 ( 11.040 -2.886 3.290) 11.876 7.230 ( 3.860 3.309 7.151) 8.774 7.596 ( -2.268 -2.032 9.753) 10.217 8.360 ( -1.281 3.131 -13.465) 13.884 9.808 ( -5.358 2.723 -3.645) 7.029 10.113 ( -6.295 -0.649 7.837) 10.073 10.494 ( 25.486 0.718 13.806) 28.994 10.773 ( -0.732 -0.486 14.184) 14.212 10.922 ( 3.382 -3.287 2.948) 5.562 12.017 ( -4.642 0.106 2.991) 5.523 12.456 ( -1.005 0.694 -20.792) 20.828 12.615 ( 2.618 -0.395 -12.499) 12.776 14.087 ( 2.749 2.711 4.374) 5.834 14.290 ( 2.728 -1.937 -1.524) 3.677 18.746 ( -2.505 -0.210 25.043) 25.169 19.141 ( -12.392 1.278 20.098) 23.646 28.082 ( -1.970 0.111 72.971) 72.997 30.827 ( 10.828 -0.332 18.490) 21.430 32.359 ( 13.103 0.373 -14.296) 19.396 34.532 ( -3.356 0.473 -67.992) 68.077 81.756 ( -7.723 0.411 40.658) 41.387 84.666 ( -9.745 -0.472 -26.409) 28.154 ======================= Grid point 1067 (300/511) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.753 ( 21.198 1.910 20.233) 29.367 5.958 ( -1.095 -4.529 21.634) 22.130 6.409 ( 10.421 -2.994 7.762) 13.334 7.215 ( -0.694 5.586 15.850) 16.820 7.554 ( -3.335 -4.374 12.259) 13.437 8.269 ( -5.446 3.156 -14.430) 15.743 9.710 ( -2.060 1.424 -1.534) 2.937 9.941 ( -9.615 -1.169 4.206) 10.560 10.723 ( 1.205 0.772 7.880) 8.009 10.923 ( 7.348 0.585 17.382) 18.880 11.130 ( 19.246 -2.740 3.900) 19.828 11.845 ( -12.573 0.753 0.428) 12.603 12.458 ( 1.447 0.232 -22.354) 22.402 12.640 ( 0.261 0.653 -16.746) 16.761 14.145 ( 3.470 1.367 6.213) 7.246 14.367 ( 3.324 -1.306 -0.302) 3.584 18.726 ( 0.740 0.192 25.467) 25.478 18.924 ( -9.474 0.234 23.081) 24.950 28.054 ( -0.947 0.004 73.035) 73.042 30.992 ( 5.883 -0.192 19.398) 20.271 32.553 ( 6.909 0.220 -14.504) 16.067 34.480 ( -1.835 0.242 -67.900) 67.925 81.647 ( -3.610 -0.067 39.755) 39.919 84.522 ( -5.168 -0.041 -26.093) 26.600 ======================= Grid point 1068 (301/511) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 782 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.944 ( 0.000 0.000 20.823) 20.823 6.011 ( 0.000 -0.000 16.679) 16.679 6.480 ( 0.000 -0.000 14.188) 14.188 7.216 ( 0.000 0.000 13.349) 13.349 7.518 ( 0.000 -0.000 18.180) 18.180 8.192 ( 0.000 0.000 -16.802) 16.802 9.708 ( 0.000 -0.000 0.394) 0.394 9.824 ( 0.000 0.000 1.932) 1.932 10.731 ( 0.000 -0.000 9.278) 9.278 10.976 ( 0.000 -0.000 12.457) 12.457 11.476 ( -0.000 -0.000 10.288) 10.288 11.586 ( 0.000 0.000 -4.787) 4.787 12.478 ( 0.000 -0.000 -20.376) 20.376 12.637 ( 0.000 0.000 -20.013) 20.013 14.179 ( 0.000 -0.000 6.775) 6.775 14.405 ( 0.000 0.000 -0.048) 0.048 18.776 ( 0.000 0.000 25.246) 25.246 18.786 ( -0.000 -0.000 24.482) 24.482 28.045 ( 0.000 -0.000 73.053) 73.053 31.050 ( 0.000 -0.000 19.732) 19.732 32.619 ( 0.000 -0.000 -14.572) 14.572 34.461 ( 0.000 -0.000 -67.885) 67.885 81.613 ( 0.000 -0.000 39.418) 39.418 84.471 ( 0.000 -0.000 -25.949) 25.949 ======================= Grid point 1078 (302/511) ======================= q-point: ( 0.06 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.756 ( 8.974 -0.000 38.487) 39.520 4.123 ( 28.467 -0.000 24.327) 37.446 5.739 ( 33.233 -0.000 -7.106) 33.984 5.867 ( 21.035 -0.000 22.690) 30.941 6.623 ( -2.250 0.000 4.208) 4.772 7.883 ( 3.515 -0.000 -9.832) 10.441 9.011 ( -2.681 0.000 15.331) 15.564 9.709 ( -4.650 0.000 -1.612) 4.922 10.308 ( 8.125 -0.000 7.000) 10.724 10.721 ( 15.273 -0.000 9.096) 17.777 11.035 ( 20.764 -0.000 -4.160) 21.177 11.736 ( -11.342 0.000 -4.727) 12.287 11.869 ( -1.762 0.000 21.253) 21.326 12.693 ( 0.138 -0.000 -6.359) 6.361 14.626 ( -9.608 0.000 2.120) 9.839 14.951 ( -12.235 0.000 -7.013) 14.103 19.069 ( -4.006 0.000 18.861) 19.282 20.256 ( -11.349 0.000 -4.657) 12.267 28.426 ( -5.920 0.000 70.474) 70.722 29.759 ( 10.808 -0.000 13.273) 17.117 30.907 ( 17.783 -0.000 -11.193) 21.012 34.877 ( -3.390 0.000 -69.437) 69.519 83.116 ( -21.161 0.000 36.706) 42.369 85.606 ( -10.442 0.000 -23.208) 25.449 ======================= Grid point 1079 (303/511) ======================= q-point: ( 0.12 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.999 ( 17.032 3.918 34.572) 38.738 4.638 ( 23.834 -2.668 23.652) 33.683 6.243 ( 11.211 2.590 10.618) 15.657 6.360 ( 27.459 1.127 -5.328) 27.994 6.699 ( 17.489 -1.338 8.548) 19.512 8.000 ( 8.208 -1.377 -10.857) 13.679 9.059 ( 8.233 0.439 16.551) 18.491 9.668 ( 0.983 0.842 -0.595) 1.424 10.389 ( 1.942 -0.384 7.468) 7.726 10.999 ( 8.851 0.284 5.689) 10.526 11.268 ( -3.911 -1.769 -19.854) 20.312 11.653 ( 9.087 0.267 17.487) 19.709 11.890 ( 6.171 0.447 17.259) 18.335 12.675 ( -2.460 -2.033 -10.518) 10.992 14.419 ( -10.794 1.651 0.577) 10.935 14.691 ( -14.316 -1.075 -6.443) 15.736 18.983 ( -4.854 -0.470 20.465) 21.038 20.006 ( -13.833 1.398 2.289) 14.090 28.312 ( -5.602 0.343 71.675) 71.894 30.002 ( 14.087 -0.090 14.429) 20.166 31.285 ( 20.796 0.091 -12.488) 24.257 34.800 ( -4.414 0.233 -69.011) 69.153 82.685 ( -21.881 1.877 40.661) 46.213 85.379 ( -13.211 -1.614 -24.309) 27.714 ======================= Grid point 1080 (304/511) ======================= q-point: ( 0.19 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.366 ( 22.864 4.423 30.201) 38.137 5.087 ( 21.614 -4.168 22.784) 31.680 6.222 ( -5.583 2.483 7.294) 9.515 6.813 ( 19.828 3.203 -4.211) 20.522 7.197 ( 24.315 -3.690 7.335) 25.664 8.192 ( 10.176 -0.209 -12.654) 16.239 9.338 ( 20.958 0.360 17.980) 27.616 9.746 ( 7.622 2.165 0.409) 7.934 10.401 ( -1.326 -0.428 8.729) 8.840 10.987 ( -7.933 1.982 1.202) 8.265 11.077 ( -11.965 -5.210 -3.680) 13.559 11.900 ( 11.145 -0.084 13.421) 17.445 12.123 ( 16.379 1.593 8.332) 18.446 12.627 ( -3.624 -3.205 -15.967) 16.684 14.221 ( -7.802 2.553 0.081) 8.209 14.437 ( -11.875 -1.365 -5.456) 13.140 18.891 ( -4.866 -0.595 22.246) 22.780 19.720 ( -14.713 1.945 9.029) 17.371 28.212 ( -4.517 0.375 72.450) 72.592 30.290 ( 15.243 -0.190 15.811) 21.963 31.689 ( 20.627 0.208 -13.403) 24.600 34.708 ( -4.781 0.395 -68.565) 68.733 82.283 ( -18.353 1.914 42.050) 45.921 85.123 ( -13.880 -1.658 -25.440) 29.027 ======================= Grid point 1081 (305/511) ======================= q-point: ( 0.25 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.823 ( 25.865 3.050 25.995) 36.797 5.525 ( 21.376 -4.235 21.748) 30.787 6.099 ( -5.306 0.641 7.539) 9.241 7.098 ( 11.165 0.636 -2.453) 11.449 7.540 ( 9.330 -0.731 8.996) 12.981 8.349 ( 5.502 0.958 -13.613) 14.714 9.831 ( 24.936 1.925 13.742) 28.537 9.891 ( 9.268 1.747 0.216) 9.434 10.327 ( -5.874 -0.405 11.698) 13.096 10.823 ( -5.598 -0.271 7.294) 9.199 10.907 ( -7.214 -3.718 1.755) 8.304 12.030 ( 2.620 -0.222 7.360) 7.815 12.409 ( 11.889 2.165 -1.748) 12.210 12.571 ( -3.348 -3.096 -19.535) 20.060 14.115 ( -1.911 2.321 1.524) 3.371 14.277 ( -4.658 -1.177 -3.492) 5.939 18.806 ( -4.081 -0.453 23.850) 24.201 19.427 ( -14.480 1.702 14.823) 20.792 28.135 ( -3.262 0.241 72.841) 72.914 30.578 ( 14.125 -0.259 17.238) 22.287 32.063 ( 17.861 0.287 -13.970) 22.677 34.616 ( -4.452 0.436 -68.192) 68.339 81.969 ( -13.251 1.125 41.633) 43.705 84.872 ( -12.490 -1.019 -26.133) 28.982 ======================= Grid point 1082 (306/511) ======================= q-point: ( 0.31 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.315 ( 25.829 2.020 22.401) 34.250 5.884 ( 7.653 -3.694 25.399) 26.783 6.089 ( 9.580 -2.361 2.994) 10.311 7.249 ( 4.759 0.855 2.328) 5.367 7.589 ( -2.693 0.333 14.447) 14.700 8.384 ( -1.253 1.700 -13.149) 13.318 9.839 ( -5.744 3.408 -4.777) 8.211 10.101 ( -7.684 -1.557 8.262) 11.390 10.501 ( 27.086 0.776 12.782) 29.960 10.774 ( -0.088 0.629 14.227) 14.241 10.887 ( 2.919 -3.847 6.105) 7.784 12.018 ( -4.185 0.159 1.933) 4.613 12.464 ( -1.697 0.805 -22.368) 22.447 12.609 ( 3.801 -0.612 -10.601) 11.278 14.111 ( 2.233 2.181 3.987) 5.064 14.273 ( 2.796 -1.565 -1.132) 3.398 18.744 ( -2.280 -0.154 24.959) 25.063 19.152 ( -13.002 0.973 19.456) 23.421 28.083 ( -2.055 0.086 73.003) 73.032 30.824 ( 10.886 -0.255 18.511) 21.476 32.363 ( 13.042 0.287 -14.313) 19.366 34.536 ( -3.472 0.360 -67.969) 68.058 81.760 ( -8.131 0.321 40.586) 41.394 84.662 ( -9.401 -0.371 -26.294) 27.927 ======================= Grid point 1083 (307/511) ======================= q-point: ( 0.38 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.773 ( 21.552 2.160 18.976) 28.797 5.916 ( -0.676 -3.852 20.584) 20.952 6.379 ( 11.180 -3.014 8.765) 14.522 7.263 ( -1.230 3.955 11.939) 12.637 7.520 ( -3.215 -2.500 16.311) 16.812 8.294 ( -6.168 2.049 -14.114) 15.539 9.728 ( -2.447 2.347 -1.774) 3.826 9.925 ( -9.540 -2.001 3.785) 10.457 10.737 ( 1.193 2.063 6.815) 7.219 10.923 ( 5.209 -0.954 15.889) 16.748 11.103 ( 21.622 -2.487 8.942) 23.530 11.853 ( -12.364 0.876 -1.026) 12.437 12.462 ( 1.581 0.523 -22.997) 23.057 12.643 ( 0.049 0.150 -16.091) 16.092 14.158 ( 2.743 1.247 5.982) 6.698 14.354 ( 3.886 -1.148 -0.090) 4.053 18.728 ( 0.871 0.164 25.352) 25.367 18.926 ( -9.859 0.196 22.837) 24.875 28.054 ( -0.967 0.004 73.054) 73.061 30.990 ( 5.969 -0.164 19.411) 20.309 32.555 ( 6.813 0.188 -14.506) 16.027 34.482 ( -1.954 0.204 -67.891) 67.920 81.647 ( -3.673 -0.054 39.717) 39.886 84.521 ( -5.080 -0.038 -26.121) 26.610 ======================= Grid point 1084 (308/511) ======================= q-point: ( 0.44 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.909 ( -2.029 -4.733 20.353) 20.995 6.056 ( 4.718 6.804 16.929) 18.846 6.467 ( 0.301 -2.626 14.475) 14.715 7.216 ( -3.902 -0.058 13.369) 13.927 7.522 ( 3.925 0.849 18.043) 18.485 8.190 ( -2.309 -0.335 -16.748) 16.910 9.712 ( -0.950 0.757 0.392) 1.276 9.820 ( 0.949 -0.650 1.941) 2.256 10.738 ( -0.054 1.430 9.449) 9.557 10.966 ( -0.349 -2.005 12.308) 12.475 11.476 ( 3.669 0.148 9.242) 9.945 11.589 ( -3.031 0.326 -3.765) 4.844 12.481 ( 0.031 0.728 -20.367) 20.380 12.634 ( -0.675 -0.698 -20.030) 20.054 14.179 ( -0.649 0.002 6.758) 6.789 14.405 ( 0.711 0.034 -0.035) 0.712 18.776 ( -2.429 -0.035 25.190) 25.307 18.787 ( 2.240 0.034 24.539) 24.641 28.045 ( 0.008 -0.000 73.052) 73.052 31.050 ( 0.099 -0.002 19.732) 19.732 32.619 ( -0.115 0.002 -14.572) 14.572 34.461 ( -0.121 -0.001 -67.885) 67.886 81.613 ( 0.084 0.000 39.418) 39.418 84.471 ( -0.016 -0.001 -25.949) 25.949 ======================= Grid point 1085 (309/511) ======================= q-point: (-0.50 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.736 ( -20.022 -1.571 21.558) 29.464 6.005 ( 0.332 5.008 22.687) 23.235 6.435 ( -8.771 2.209 6.837) 11.338 7.157 ( -0.773 -6.086 18.580) 19.566 7.604 ( 4.268 5.775 9.374) 11.808 8.232 ( 4.247 -4.306 -14.788) 15.977 9.701 ( 1.929 -0.229 -1.555) 2.488 9.947 ( 9.516 0.211 4.946) 10.727 10.720 ( -1.629 0.247 9.188) 9.335 10.914 ( -7.719 -1.376 17.739) 19.395 11.154 ( -18.137 2.184 -0.812) 18.286 11.839 ( 12.772 -0.459 2.358) 12.996 12.459 ( -1.374 0.427 -21.701) 21.749 12.630 ( -0.480 -1.379 -17.433) 17.494 14.132 ( -4.187 -1.272 6.449) 7.794 14.380 ( -2.771 1.276 -0.527) 3.096 18.724 ( -0.598 -0.190 25.592) 25.599 18.922 ( 9.058 -0.237 23.345) 25.042 28.054 ( 0.926 -0.004 73.014) 73.020 30.994 ( -5.790 0.189 19.384) 20.231 32.550 ( -7.014 -0.217 -14.502) 16.111 34.477 ( 1.706 -0.243 -67.909) 67.931 81.648 ( 3.545 0.069 39.796) 39.954 84.522 ( 5.259 0.036 -26.061) 26.587 ======================= Grid point 1086 (310/511) ======================= q-point: (-0.44 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.272 ( -27.082 -2.052 24.488) 36.569 5.980 ( -5.219 5.821 25.536) 26.706 6.144 ( -12.668 2.866 3.793) 13.531 7.184 ( -2.936 -5.930 12.373) 14.031 7.631 ( 1.775 5.097 4.651) 7.125 8.321 ( 1.197 -4.887 -13.700) 14.594 9.787 ( 4.794 -1.415 -3.091) 5.877 10.115 ( 5.176 -0.149 8.034) 9.558 10.487 ( -23.989 -0.633 14.844) 28.218 10.781 ( 0.746 0.842 13.879) 13.925 10.951 ( -3.043 2.707 -0.428) 4.096 12.016 ( 4.999 -0.053 4.274) 6.577 12.451 ( 0.362 -0.216 -19.090) 19.095 12.616 ( -1.264 -0.114 -14.560) 14.616 14.059 ( -3.445 -2.837 4.868) 6.604 14.310 ( -2.602 2.038 -2.007) 3.867 18.748 ( 2.781 0.241 25.139) 25.293 19.128 ( 11.666 -1.393 20.857) 23.938 28.081 ( 1.870 -0.118 72.931) 72.955 30.830 ( -10.759 0.358 18.465) 21.374 32.355 ( -13.175 -0.401 -14.277) 19.432 34.527 ( 3.218 -0.515 -68.020) 68.098 81.752 ( 7.246 -0.435 40.741) 41.382 84.671 ( 10.142 0.495 -26.540) 28.416 ======================= Grid point 1087 (311/511) ======================= q-point: (-0.38 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.745 ( -28.585 -4.366 26.226) 39.038 5.629 ( -20.897 5.416 16.805) 27.357 6.101 ( 2.683 1.523 13.373) 13.724 7.050 ( -13.426 -4.564 6.107) 15.440 7.587 ( -5.904 4.371 2.313) 7.701 8.306 ( -4.825 -3.658 -14.780) 15.972 9.775 ( -14.083 -3.153 4.480) 15.111 9.862 ( -20.354 -1.014 9.204) 22.362 10.331 ( 4.900 0.014 12.060) 13.017 10.845 ( 6.109 1.352 5.704) 8.467 10.994 ( 9.134 4.898 1.522) 10.476 12.033 ( -3.009 -0.052 8.539) 9.054 12.367 ( -11.552 -1.817 -2.473) 11.953 12.642 ( 5.454 3.833 -20.066) 21.145 14.051 ( 1.131 -3.818 2.621) 4.767 14.307 ( 4.386 1.742 -4.762) 6.704 18.819 ( 4.673 0.874 23.865) 24.334 19.378 ( 12.888 -3.055 17.232) 21.734 28.128 ( 2.911 -0.420 72.763) 72.822 30.585 ( -14.067 0.456 17.190) 22.216 32.055 ( -17.915 -0.497 -13.869) 22.661 34.603 ( 4.222 -0.783 -68.304) 68.439 81.937 ( 11.453 -1.933 41.898) 43.479 84.901 ( 13.957 1.712 -27.229) 30.646 ======================= Grid point 1088 (312/511) ======================= q-point: (-0.31 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.236 ( -26.471 -7.598 28.759) 39.818 5.198 ( -21.129 5.334 17.976) 28.249 6.157 ( 2.094 -2.719 10.878) 11.406 6.719 ( -23.101 -5.784 5.271) 24.391 7.301 ( -21.512 5.857 0.882) 22.313 8.192 ( -7.180 -0.530 -13.841) 15.601 9.328 ( -21.072 -0.416 16.038) 26.484 9.675 ( -7.550 -4.538 2.318) 9.109 10.408 ( 1.963 0.172 8.687) 8.907 10.998 ( 8.902 3.016 -1.460) 9.512 11.186 ( 11.762 5.370 -0.297) 12.933 11.898 ( -11.306 -0.518 13.116) 17.324 12.076 ( -17.176 -2.673 7.847) 19.072 12.733 ( 5.735 6.820 -16.668) 18.901 14.147 ( 6.829 -4.327 1.504) 8.223 14.470 ( 12.489 1.523 -7.029) 14.412 18.913 ( 5.478 1.567 22.076) 22.800 19.650 ( 13.218 -4.778 12.263) 18.653 28.198 ( 4.052 -0.898 72.420) 72.539 30.297 ( -15.246 0.459 15.772) 21.941 31.682 ( -20.608 -0.486 -13.227) 24.493 34.694 ( 4.619 -0.980 -68.763) 68.925 82.216 ( 15.813 -4.450 42.580) 45.639 85.180 ( 15.983 3.760 -27.823) 32.307 ======================= Grid point 1089 (313/511) ======================= q-point: (-0.25 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.825 ( -20.278 -11.379 32.358) 39.846 4.741 ( -24.099 5.716 20.271) 32.006 6.086 ( -21.249 -12.088 1.643) 24.502 6.335 ( -11.318 -1.040 9.267) 14.665 6.761 ( -27.246 4.494 6.124) 28.285 8.064 ( -4.690 4.171 -11.553) 13.148 9.041 ( -8.888 -0.912 15.994) 18.320 9.620 ( -0.327 -3.846 0.842) 3.951 10.407 ( -1.511 1.164 7.438) 7.678 11.009 ( -9.146 2.279 2.988) 9.888 11.343 ( 1.463 4.561 -16.355) 17.042 11.636 ( -9.326 -1.425 16.101) 18.662 11.869 ( -3.662 -1.526 18.344) 18.768 12.783 ( 3.199 8.247 -11.793) 14.742 14.345 ( 10.637 -4.829 2.065) 11.863 14.734 ( 14.935 2.449 -7.830) 17.040 19.010 ( 5.376 2.164 20.160) 20.976 19.929 ( 12.700 -6.043 5.885) 15.246 28.293 ( 5.120 -1.449 71.764) 71.961 30.007 ( -14.123 0.382 14.402) 20.175 31.280 ( -20.711 -0.369 -12.286) 24.084 34.787 ( 4.346 -1.034 -69.295) 69.438 82.586 ( 19.071 -7.567 41.737) 46.507 85.464 ( 15.554 6.334 -27.989) 32.641 ======================= Grid point 1090 (314/511) ======================= q-point: (-0.19 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.584 ( -10.997 -14.081 36.197) 40.366 4.194 ( -29.338 4.805 23.200) 37.710 5.611 ( -28.109 -9.163 -0.067) 29.565 5.975 ( -24.696 3.940 8.007) 26.259 6.522 ( -0.176 -5.907 11.895) 13.282 7.975 ( -1.627 7.545 -9.957) 12.599 8.985 ( 2.031 -1.867 15.543) 15.785 9.685 ( 5.049 -2.479 -0.720) 5.671 10.322 ( -8.477 1.453 6.634) 10.862 10.714 ( -15.565 -0.311 8.558) 17.766 11.046 ( -21.929 0.505 -1.233) 21.970 11.742 ( 11.441 0.674 -6.125) 12.994 11.885 ( 3.070 1.475 21.216) 21.488 12.775 ( 0.111 7.832 -7.736) 11.009 14.572 ( 9.784 -4.537 3.315) 11.283 14.991 ( 12.592 3.322 -7.901) 15.232 19.093 ( 4.322 2.448 18.538) 19.192 20.189 ( 10.694 -6.462 -1.400) 12.573 28.406 ( 5.541 -1.902 70.712) 70.954 29.761 ( -10.841 0.269 13.257) 17.128 30.906 ( -17.658 -0.150 -11.058) 20.835 34.867 ( 3.387 -0.919 -69.749) 69.837 83.005 ( 18.891 -10.373 38.441) 44.070 85.700 ( 12.319 8.666 -27.450) 31.310 ======================= Grid point 1091 (315/511) ======================= q-point: (-0.12 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( -5.560 -11.881 36.916) 39.178 3.653 ( -19.753 0.637 30.571) 36.403 5.138 ( -21.991 -3.272 -7.430) 23.442 5.607 ( -10.826 2.522 21.059) 23.813 6.588 ( 1.668 -8.738 7.604) 11.703 7.919 ( -0.264 8.682 -9.291) 12.719 9.122 ( 10.075 -2.923 15.121) 18.403 9.823 ( 7.321 -1.588 -0.752) 7.529 10.022 ( -18.861 0.466 5.150) 19.558 10.547 ( -3.529 -0.664 13.076) 13.560 10.642 ( -17.812 0.130 1.478) 17.874 11.916 ( 2.905 1.575 17.653) 17.959 11.950 ( 7.239 1.114 -8.701) 11.373 12.720 ( -1.697 6.593 -4.329) 8.068 14.745 ( 5.619 -3.707 4.204) 7.937 15.168 ( 7.059 3.440 -7.818) 11.081 19.148 ( 2.401 2.255 17.523) 17.830 20.389 ( 6.393 -5.845 -8.031) 11.813 28.513 ( 4.092 -2.021 69.513) 69.663 29.597 ( -5.879 0.168 12.495) 13.810 30.625 ( -10.702 0.089 -9.862) 14.553 34.923 ( 1.852 -0.695 -69.993) 70.021 83.374 ( 12.570 -11.362 33.381) 37.435 85.841 ( 6.652 9.504 -26.059) 28.524 ======================= Grid point 1092 (316/511) ======================= q-point: (-0.06 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.366 ( -0.000 1.047 29.264) 29.283 3.608 ( 0.000 -10.518 43.779) 45.025 4.912 ( 0.000 -0.958 -9.914) 9.960 5.497 ( -0.000 2.509 25.708) 25.830 6.648 ( 0.000 -7.918 5.048) 9.390 7.877 ( -0.000 7.251 -9.150) 11.675 9.297 ( 0.000 -3.324 15.533) 15.884 9.759 ( 0.000 -0.211 5.121) 5.126 9.939 ( 0.000 -0.076 -0.960) 0.963 10.425 ( 0.000 -0.598 -0.289) 0.664 10.534 ( -0.000 0.254 15.491) 15.493 11.926 ( -0.000 1.806 23.042) 23.113 12.033 ( -0.000 0.097 -16.187) 16.187 12.669 ( -0.000 4.772 -2.116) 5.220 14.816 ( 0.000 -2.669 4.305) 5.065 15.222 ( -0.000 2.696 -7.692) 8.151 19.161 ( -0.000 1.618 17.253) 17.329 20.478 ( 0.000 -4.229 -11.480) 12.234 28.565 ( 0.000 -1.569 68.856) 68.874 29.539 ( -0.000 0.103 12.230) 12.231 30.517 ( -0.000 0.147 -9.342) 9.343 34.944 ( 0.000 -0.457 -69.984) 69.986 83.554 ( 0.000 -9.050 30.055) 31.388 85.862 ( -0.000 7.623 -24.162) 25.336 ======================= Grid point 1095 (317/511) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 826 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.389 ( 22.145 -0.000 30.455) 37.655 5.066 ( 21.900 -0.000 23.301) 31.977 6.235 ( -5.981 0.000 6.975) 9.188 6.830 ( 18.543 -0.000 -6.596) 19.681 7.178 ( 25.446 -0.000 9.202) 27.059 8.191 ( 10.584 -0.000 -12.451) 16.342 9.340 ( 20.910 -0.000 18.278) 27.773 9.757 ( 7.709 -0.000 0.064) 7.709 10.398 ( -1.242 0.000 8.847) 8.933 11.007 ( -6.050 0.000 5.268) 8.022 11.041 ( -13.794 0.000 -7.941) 15.916 11.900 ( 11.115 -0.000 13.511) 17.495 12.131 ( 16.325 -0.000 8.425) 18.371 12.611 ( -3.352 0.000 -15.918) 16.267 14.234 ( -8.040 0.000 -0.186) 8.042 14.429 ( -11.695 0.000 -5.174) 12.788 18.888 ( -4.786 0.000 22.263) 22.772 19.729 ( -14.920 0.000 8.580) 17.211 28.214 ( -4.582 0.000 72.454) 72.598 30.289 ( 15.242 -0.000 15.817) 21.966 31.690 ( 20.629 -0.000 -13.429) 24.615 34.710 ( -4.802 0.000 -68.536) 68.704 82.292 ( -18.724 0.000 41.969) 45.957 85.115 ( -13.566 0.000 -25.092) 28.525 ======================= Grid point 1096 (318/511) ======================= q-point: ( 0.19 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.844 ( 25.018 1.149 25.975) 36.082 5.495 ( 21.946 -1.594 22.538) 31.498 6.105 ( -6.312 0.323 6.491) 9.060 7.100 ( 10.421 0.043 -4.465) 11.337 7.536 ( 10.529 -0.096 10.535) 14.894 8.355 ( 5.616 0.252 -13.222) 14.367 9.843 ( 28.916 0.604 17.283) 33.693 9.905 ( 5.411 0.837 -3.524) 6.511 10.323 ( -6.206 -0.232 11.812) 13.345 10.825 ( -6.301 0.436 8.167) 10.324 10.878 ( -6.045 -1.861 1.289) 6.455 12.029 ( 2.603 -0.096 7.091) 7.555 12.426 ( 12.686 1.064 -0.561) 12.743 12.547 ( -3.609 -1.375 -20.430) 20.792 14.131 ( -2.252 0.855 1.212) 2.696 14.268 ( -4.565 -0.455 -3.130) 5.554 18.803 ( -3.950 -0.156 23.838) 24.164 19.438 ( -14.848 0.596 14.266) 20.599 28.137 ( -3.344 0.085 72.858) 72.935 30.576 ( 14.138 -0.091 17.249) 22.303 32.065 ( 17.847 0.101 -13.995) 22.680 34.619 ( -4.505 0.152 -68.165) 68.314 81.977 ( -13.681 0.398 41.567) 43.762 84.865 ( -12.132 -0.362 -25.867) 28.573 ======================= Grid point 1097 (319/511) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.331 ( 25.638 1.229 21.707) 33.616 5.856 ( 8.143 -1.999 25.280) 26.634 6.071 ( 8.574 -1.334 2.862) 9.137 7.252 ( 5.287 -0.110 -0.337) 5.299 7.596 ( -2.864 0.813 17.011) 17.270 8.395 ( -1.171 0.701 -12.884) 12.956 9.870 ( -5.914 2.666 -6.424) 9.130 10.085 ( -8.809 -1.618 9.410) 12.991 10.508 ( 28.414 0.572 12.089) 30.884 10.787 ( 0.700 1.986 13.834) 13.994 10.848 ( 2.036 -3.873 8.596) 9.646 12.019 ( -3.808 0.120 1.283) 4.020 12.471 ( -2.348 0.540 -23.734) 23.856 12.604 ( 4.724 -0.454 -9.042) 10.211 14.128 ( 1.935 1.251 3.761) 4.411 14.260 ( 2.811 -0.910 -0.897) 3.087 18.743 ( -2.133 -0.081 24.901) 24.992 19.160 ( -13.407 0.525 19.029) 23.284 28.084 ( -2.112 0.047 73.024) 73.055 30.822 ( 10.925 -0.138 18.525) 21.507 32.365 ( 13.000 0.156 -14.324) 19.345 34.539 ( -3.549 0.194 -67.953) 68.046 81.762 ( -8.406 0.176 40.537) 41.400 84.659 ( -9.167 -0.205 -26.215) 27.772 ======================= Grid point 1098 (320/511) ======================= q-point: ( 0.31 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.795 ( 20.995 2.285 17.990) 27.742 5.882 ( 0.763 -3.170 19.662) 19.930 6.353 ( 11.300 -2.228 9.689) 15.051 7.291 ( -0.944 1.931 7.808) 8.098 7.504 ( -3.771 -0.808 20.521) 20.881 8.310 ( -6.544 1.122 -13.855) 15.364 9.753 ( -2.927 2.576 -2.331) 4.543 9.903 ( -9.336 -2.301 3.862) 10.362 10.764 ( 1.399 3.406 5.334) 6.481 10.902 ( 2.566 -3.255 14.518) 15.098 11.085 ( 24.219 -1.123 13.464) 27.733 11.861 ( -12.262 0.660 -1.910) 12.427 12.467 ( 1.793 0.499 -23.604) 23.678 12.643 ( -0.164 -0.081 -15.501) 15.502 14.168 ( 2.120 0.889 5.799) 6.238 14.345 ( 4.373 -0.800 0.073) 4.446 18.729 ( 0.972 0.110 25.264) 25.282 18.928 ( -10.155 0.130 22.651) 24.824 28.054 ( -0.983 0.003 73.069) 73.075 30.989 ( 6.034 -0.111 19.422) 20.338 32.556 ( 6.738 0.126 -14.508) 15.997 34.484 ( -2.045 0.136 -67.885) 67.915 81.646 ( -3.722 -0.035 39.687) 39.861 84.521 ( -5.011 -0.028 -26.141) 26.617 ======================= Grid point 1099 (321/511) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.867 ( -1.473 -3.653 20.524) 20.898 6.128 ( 7.201 7.594 16.040) 19.152 6.430 ( -0.328 -4.701 15.351) 16.058 7.215 ( -6.798 -0.087 13.415) 15.040 7.533 ( 7.054 1.193 17.722) 19.111 8.186 ( -4.374 -0.487 -16.620) 17.192 9.723 ( -1.922 1.331 0.374) 2.367 9.811 ( 1.942 -1.179 1.973) 3.009 10.759 ( -0.197 2.892 9.991) 10.403 10.937 ( -0.514 -3.880 11.730) 12.366 11.483 ( 7.246 1.302 7.901) 10.799 11.589 ( -6.134 -0.496 -2.421) 6.613 12.491 ( 0.317 1.299 -20.264) 20.308 12.624 ( -1.483 -1.214 -20.121) 20.212 14.179 ( -1.193 0.003 6.719) 6.824 14.406 ( 1.310 0.047 -0.003) 1.311 18.775 ( -4.182 -0.047 25.070) 25.416 18.787 ( 3.834 0.044 24.661) 24.957 28.045 ( 0.014 -0.000 73.052) 73.052 31.050 ( 0.183 -0.003 19.732) 19.733 32.619 ( -0.212 0.003 -14.572) 14.573 34.461 ( -0.223 -0.001 -67.886) 67.886 81.613 ( 0.156 0.000 39.418) 39.418 84.471 ( -0.030 -0.002 -25.948) 25.948 ======================= Grid point 1100 (322/511) ======================= q-point: (-0.56 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.723 ( -18.556 -1.163 22.745) 29.377 6.055 ( -1.218 4.952 23.736) 24.278 6.451 ( -6.226 0.966 6.014) 8.710 7.099 ( -2.887 -5.337 20.247) 21.136 7.665 ( 5.928 6.382 7.698) 11.625 8.185 ( 2.459 -5.119 -15.292) 16.313 9.704 ( 2.028 0.793 -1.838) 2.850 9.945 ( 9.346 -0.568 5.863) 11.047 10.727 ( -2.602 1.111 11.062) 11.418 10.896 ( -6.739 -2.228 16.600) 18.054 11.173 ( -17.828 1.808 -4.576) 18.494 11.835 ( 12.904 -0.322 4.293) 13.603 12.467 ( -1.296 1.412 -20.825) 20.913 12.612 ( -0.724 -2.200 -18.275) 18.421 14.120 ( -4.806 -1.012 6.655) 8.271 14.391 ( -2.288 1.069 -0.733) 2.630 18.722 ( -0.467 -0.160 25.707) 25.712 18.919 ( 8.674 -0.203 23.590) 25.135 28.054 ( 0.906 -0.003 72.994) 73.000 30.995 ( -5.704 0.159 19.371) 20.194 32.548 ( -7.111 -0.183 -14.500) 16.151 34.475 ( 1.586 -0.207 -67.917) 67.936 81.649 ( 3.487 0.061 39.834) 39.986 84.522 ( 5.341 0.026 -26.030) 26.572 ======================= Grid point 1101 (323/511) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.254 ( -27.987 -1.611 25.535) 37.920 6.040 ( -3.479 6.093 25.379) 26.331 6.170 ( -14.204 2.361 4.512) 15.089 7.118 ( -2.425 -7.150 16.188) 17.862 7.694 ( 1.498 7.431 0.943) 7.639 8.264 ( 1.011 -6.636 -13.806) 15.351 9.780 ( 4.028 -0.157 -3.018) 5.036 10.111 ( 4.777 -0.476 8.609) 9.857 10.481 ( -22.826 -0.532 15.657) 27.685 10.787 ( -0.119 0.247 13.159) 13.162 10.976 ( -1.857 2.475 -3.204) 4.454 12.015 ( 5.166 -0.104 5.429) 7.495 12.453 ( -0.380 0.505 -16.942) 16.954 12.612 ( 0.325 -0.743 -16.923) 16.942 14.032 ( -4.220 -2.564 5.388) 7.309 14.329 ( -2.445 1.863 -2.498) 3.961 18.750 ( 3.070 0.237 25.230) 25.417 19.115 ( 10.930 -1.298 21.621) 24.262 28.080 ( 1.770 -0.108 72.891) 72.912 30.834 ( -10.690 0.330 18.442) 21.319 32.352 ( -13.246 -0.367 -14.259) 19.466 34.522 ( 3.078 -0.479 -68.047) 68.118 81.748 ( 6.775 -0.393 40.821) 41.381 84.675 ( 10.530 0.442 -26.664) 28.671 ======================= Grid point 1102 (324/511) ======================= q-point: (-0.44 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.703 ( -29.879 -4.002 26.455) 40.108 5.677 ( -21.884 4.035 12.696) 25.620 6.127 ( 2.442 3.831 17.917) 18.484 6.996 ( -13.967 -6.423 10.334) 18.524 7.639 ( -5.387 6.093 -0.884) 8.181 8.262 ( -4.100 -5.207 -15.108) 16.498 9.746 ( -12.114 -2.580 2.646) 12.665 9.854 ( -22.991 -0.570 10.395) 25.238 10.331 ( 4.597 0.030 12.510) 13.328 10.855 ( 7.326 0.714 4.447) 8.600 11.043 ( 9.735 5.004 1.648) 11.069 12.031 ( -3.480 -0.369 9.203) 9.846 12.351 ( -11.665 -1.300 -2.371) 11.974 12.679 ( 7.151 3.563 -20.895) 22.370 14.013 ( 0.913 -3.808 3.231) 5.077 14.324 ( 3.963 1.683 -5.442) 6.940 18.828 ( 5.073 0.933 23.836) 24.388 19.347 ( 11.886 -3.100 18.745) 22.411 28.124 ( 2.698 -0.417 72.712) 72.763 30.590 ( -14.031 0.455 17.161) 22.171 32.050 ( -17.945 -0.491 -13.810) 22.649 34.595 ( 4.075 -0.791 -68.369) 68.495 81.918 ( 10.380 -1.902 42.049) 43.353 84.917 ( 14.813 1.660 -27.873) 31.609 ======================= Grid point 1103 (325/511) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.163 ( -28.174 -7.030 27.900) 40.270 5.239 ( -21.676 2.947 13.820) 25.875 6.143 ( -0.842 0.128 14.236) 14.261 6.659 ( -22.908 -6.379 9.189) 25.494 7.357 ( -21.621 5.435 -1.258) 22.329 8.183 ( -5.011 -1.402 -14.375) 15.288 9.326 ( -20.897 0.113 14.826) 25.622 9.629 ( -7.868 -4.720 3.226) 9.726 10.409 ( 2.314 -0.012 9.141) 9.429 11.035 ( 10.297 4.225 -3.596) 11.697 11.237 ( 11.386 5.130 1.837) 12.623 11.889 ( -11.522 -1.351 13.311) 17.656 12.051 ( -17.938 -2.181 7.379) 19.519 12.801 ( 7.215 6.916 -17.239) 19.926 14.105 ( 6.658 -3.957 2.220) 8.057 14.482 ( 12.494 1.012 -7.929) 14.832 18.929 ( 5.962 1.830 21.879) 22.751 19.600 ( 12.126 -5.270 14.620) 19.712 28.189 ( 3.726 -0.966 72.390) 72.492 30.301 ( -15.249 0.497 15.745) 21.924 31.677 ( -20.590 -0.514 -13.110) 24.415 34.684 ( 4.495 -1.080 -68.893) 69.048 82.171 ( 14.112 -4.700 42.910) 45.415 85.218 ( 17.346 3.900 -29.424) 34.379 ======================= Grid point 1104 (326/511) ======================= q-point: (-0.31 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.714 ( -22.150 -10.881 30.649) 39.350 4.788 ( -24.354 3.583 16.844) 29.827 5.962 ( -24.219 -12.571 2.889) 27.439 6.324 ( -10.682 -1.295 10.585) 15.093 6.810 ( -28.115 5.263 6.728) 29.384 8.101 ( -2.733 3.224 -12.152) 12.866 9.037 ( -8.922 0.069 15.544) 17.923 9.578 ( -0.038 -4.659 1.897) 5.031 10.418 ( -1.022 0.996 7.826) 7.955 11.043 ( -10.252 4.641 1.175) 11.315 11.385 ( -0.435 3.795 -14.600) 15.092 11.620 ( -8.893 -1.877 15.509) 17.976 11.853 ( -1.715 -1.632 19.029) 19.176 12.871 ( 3.952 9.290 -12.750) 16.263 14.299 ( 10.556 -4.448 2.978) 11.836 14.755 ( 15.409 1.801 -8.789) 17.830 19.034 ( 5.873 2.766 19.805) 20.842 19.863 ( 11.716 -7.268 9.004) 16.467 28.277 ( 4.717 -1.699 71.822) 71.997 30.011 ( -14.154 0.451 14.380) 20.182 31.276 ( -20.636 -0.415 -12.127) 23.939 34.775 ( 4.273 -1.258 -69.516) 69.659 82.505 ( 16.910 -8.568 42.506) 46.542 85.531 ( 17.281 7.008 -30.890) 36.082 ======================= Grid point 1105 (327/511) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( -12.342 -14.626 34.145) 39.142 4.237 ( -30.279 3.934 21.363) 37.265 5.510 ( -25.542 -11.546 0.467) 28.034 5.973 ( -27.015 -4.664 -2.037) 27.491 6.501 ( -1.776 2.261 21.877) 22.065 8.047 ( -0.469 6.606 -10.350) 12.287 8.972 ( 1.767 -0.508 15.562) 15.671 9.655 ( 5.422 -3.636 0.321) 6.536 10.339 ( -8.437 1.982 6.481) 10.823 10.715 ( -16.508 0.530 7.979) 18.343 11.046 ( -22.969 -0.514 1.163) 23.004 11.751 ( 11.649 1.006 -7.296) 13.782 11.901 ( 4.231 1.746 21.272) 21.759 12.864 ( 0.463 10.062 -9.064) 13.550 14.526 ( 9.863 -4.763 4.367) 11.791 15.024 ( 13.061 3.228 -8.724) 16.035 19.122 ( 4.707 3.453 18.096) 19.015 20.114 ( 9.967 -8.569 2.230) 13.332 28.385 ( 5.132 -2.461 70.942) 71.170 29.765 ( -10.878 0.351 13.239) 17.139 30.904 ( -17.520 -0.175 -10.921) 20.646 34.856 ( 3.371 -1.262 -70.065) 70.158 82.889 ( 16.710 -12.725 40.027) 45.203 85.795 ( 14.035 10.335 -31.709) 36.184 ======================= Grid point 1106 (328/511) ======================= q-point: (-0.19 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( -2.834 -16.063 37.313) 40.722 3.667 ( -23.990 1.907 27.076) 36.226 5.100 ( -19.882 -4.365 -6.681) 21.424 5.596 ( -12.688 -6.100 10.605) 17.626 6.520 ( 1.363 -3.763 16.388) 16.870 8.010 ( 0.322 9.048 -9.507) 13.129 9.094 ( 9.452 -2.170 15.678) 18.435 9.802 ( 7.047 -2.591 0.368) 7.517 10.030 ( -18.554 1.163 4.291) 19.079 10.539 ( -4.680 -1.199 11.679) 12.639 10.640 ( -17.014 -0.546 4.392) 17.580 11.934 ( 5.481 1.892 6.098) 8.415 11.965 ( 4.862 1.975 2.584) 5.850 12.802 ( -1.400 9.832 -5.941) 11.573 14.703 ( 5.693 -4.652 5.250) 9.035 15.207 ( 7.310 4.188 -8.442) 11.927 19.177 ( 2.588 3.604 17.090) 17.657 20.316 ( 6.024 -8.815 -4.331) 11.521 28.488 ( 3.814 -2.981 69.929) 70.096 29.599 ( -5.901 0.251 12.481) 13.807 30.626 ( -10.568 0.142 -9.808) 14.419 34.914 ( 1.861 -1.112 -70.365) 70.399 83.239 ( 11.154 -15.657 35.888) 40.712 85.953 ( 7.757 12.706 -31.206) 34.575 ======================= Grid point 1107 (329/511) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 826 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( -0.000 1.966 28.753) 28.820 3.469 ( 0.000 -16.831 41.534) 44.815 4.898 ( 0.000 -1.802 -9.670) 9.836 5.506 ( 0.000 -2.459 18.286) 18.450 6.564 ( 0.000 -7.614 11.329) 13.650 7.966 ( -0.000 10.005 -9.212) 13.600 9.257 ( 0.000 -4.146 16.405) 16.921 9.756 ( 0.000 -0.388 5.135) 5.150 9.938 ( 0.000 -0.137 -0.976) 0.986 10.413 ( 0.000 -2.100 0.968) 2.312 10.537 ( -0.000 0.465 15.456) 15.463 11.951 ( -0.000 3.282 23.110) 23.342 12.035 ( -0.000 0.178 -16.169) 16.170 12.737 ( -0.000 8.773 -3.771) 9.549 14.781 ( 0.000 -4.261 5.204) 6.726 15.257 ( -0.000 4.230 -8.172) 9.202 19.185 ( -0.000 3.142 16.911) 17.201 20.418 ( 0.000 -7.838 -8.354) 11.455 28.543 ( 0.000 -2.859 69.290) 69.349 29.540 ( -0.000 0.191 12.219) 12.220 30.519 ( -0.000 0.272 -9.337) 9.341 34.937 ( 0.000 -0.901 -70.322) 70.328 83.431 ( 0.000 -15.404 32.706) 36.152 85.964 ( -0.000 12.638 -28.983) 31.619 ======================= Grid point 1112 (330/511) ======================= q-point: ( 0.19 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.338 ( 25.606 -0.000 21.455) 33.407 5.846 ( 8.271 -0.000 25.230) 26.552 6.064 ( 8.218 -0.000 2.830) 8.691 7.251 ( 5.451 -0.000 -1.086) 5.558 7.601 ( -2.897 0.000 17.723) 17.958 8.399 ( -1.129 0.000 -12.781) 12.831 9.885 ( -5.916 0.000 -7.471) 9.530 10.075 ( -9.269 0.000 10.278) 13.840 10.511 ( 28.953 -0.000 11.860) 31.288 10.810 ( 2.899 -0.000 21.228) 21.425 10.815 ( -0.274 0.000 1.915) 1.934 12.020 ( -3.664 0.000 1.069) 3.816 12.473 ( -2.638 0.000 -24.324) 24.466 12.602 ( 5.099 -0.000 -8.391) 9.819 14.135 ( 1.841 -0.000 3.694) 4.128 14.256 ( 2.808 -0.000 -0.825) 2.927 18.742 ( -2.082 0.000 24.881) 24.967 19.162 ( -13.549 0.000 18.879) 23.238 28.084 ( -2.133 0.000 73.032) 73.063 30.821 ( 10.938 -0.000 18.530) 21.517 32.366 ( 12.986 -0.000 -14.328) 19.337 34.540 ( -3.576 0.000 -67.947) 68.041 81.763 ( -8.503 0.000 40.520) 41.403 84.658 ( -9.084 0.000 -26.187) 27.718 ======================= Grid point 1113 (331/511) ======================= q-point: ( 0.25 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.817 ( 21.988 1.819 17.232) 27.995 5.855 ( 0.380 -2.085 19.314) 19.430 6.337 ( 11.185 -0.821 10.266) 15.204 7.303 ( -0.508 0.494 5.371) 5.418 7.500 ( -4.339 -0.077 22.988) 23.393 8.317 ( -6.697 0.354 -13.706) 15.259 9.774 ( -3.179 1.347 -3.195) 4.704 9.884 ( -9.241 -1.245 4.481) 10.345 10.800 ( 1.892 3.523 0.696) 4.059 10.864 ( 1.061 -3.678 17.622) 18.033 11.079 ( 25.330 -0.187 15.830) 29.870 11.865 ( -12.259 0.236 -2.324) 12.480 12.471 ( 1.976 0.207 -23.994) 24.076 12.643 ( -0.318 -0.063 -15.127) 15.130 14.175 ( 1.747 0.325 5.699) 5.969 14.339 ( 4.670 -0.290 0.160) 4.682 18.730 ( 1.026 0.039 25.216) 25.237 18.929 ( -10.316 0.045 22.550) 24.798 28.054 ( -0.992 0.001 73.076) 73.083 30.988 ( 6.070 -0.039 19.428) 20.354 32.557 ( 6.698 0.045 -14.509) 15.980 34.485 ( -2.094 0.048 -67.881) 67.913 81.646 ( -3.749 -0.012 39.671) 39.847 84.521 ( -4.973 -0.010 -26.152) 26.620 ======================= Grid point 1114 (332/511) ======================= q-point: ( 0.31 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.840 ( -1.023 -1.923 20.731) 20.845 6.201 ( 11.386 6.883 14.276) 19.515 6.378 ( -3.456 -5.482 17.054) 18.244 7.214 ( -8.390 -0.065 13.460) 15.861 7.544 ( 9.001 0.840 17.414) 19.620 8.182 ( -5.862 -0.354 -16.493) 17.507 9.737 ( -3.183 1.360 0.284) 3.473 9.799 ( 3.240 -1.252 2.074) 4.045 10.794 ( -0.517 4.193 11.155) 11.928 10.893 ( -0.363 -4.990 10.431) 11.569 11.500 ( 12.696 2.076 8.230) 15.272 11.579 ( -11.337 -1.437 -2.688) 11.740 12.505 ( 0.952 1.227 -20.000) 20.061 12.612 ( -2.443 -1.138 -20.330) 20.508 14.179 ( -1.550 0.002 6.680) 6.858 14.406 ( 1.707 0.033 0.029) 1.707 18.775 ( -5.140 -0.031 24.966) 25.490 18.787 ( 4.684 0.029 24.766) 25.205 28.045 ( 0.018 -0.000 73.051) 73.051 31.050 ( 0.239 -0.002 19.733) 19.734 32.619 ( -0.277 0.002 -14.572) 14.575 34.461 ( -0.292 -0.001 -67.886) 67.886 81.613 ( 0.204 0.000 39.418) 39.418 84.471 ( -0.039 -0.001 -25.947) 25.947 ======================= Grid point 1115 (333/511) ======================= q-point: (-0.62 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.713 ( -17.298 -0.711 23.630) 29.293 6.099 ( -3.067 3.913 24.779) 25.273 6.455 ( -3.251 -0.091 5.258) 6.183 7.055 ( -5.076 -3.573 21.131) 22.024 7.725 ( 8.241 5.647 7.262) 12.351 8.135 ( 0.061 -4.835 -16.200) 16.906 9.715 ( 2.206 1.151 -2.339) 3.415 9.938 ( 9.227 -0.855 6.808) 11.498 10.742 ( -4.132 1.775 13.793) 14.508 10.870 ( -5.014 -2.826 13.710) 14.869 11.190 ( -17.861 1.480 -6.780) 19.162 11.832 ( 13.035 -0.319 5.700) 14.231 12.486 ( -1.162 2.385 -19.345) 19.526 12.587 ( -0.999 -2.851 -19.591) 19.823 14.112 ( -5.260 -0.644 6.804) 8.624 14.400 ( -1.929 0.711 -0.888) 2.240 18.721 ( -0.367 -0.106 25.795) 25.798 18.918 ( 8.381 -0.137 23.779) 25.213 28.054 ( 0.892 -0.002 72.979) 72.984 30.997 ( -5.637 0.105 19.361) 20.166 32.547 ( -7.185 -0.121 -14.499) 16.182 34.473 ( 1.494 -0.139 -67.924) 67.940 81.649 ( 3.443 0.042 39.862) 40.010 84.522 ( 5.401 0.016 -26.005) 26.560 ======================= Grid point 1116 (334/511) ======================= q-point: (-0.56 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.241 ( -28.827 -1.077 26.388) 39.096 6.098 ( -1.537 5.526 25.029) 25.677 6.189 ( -15.623 1.455 5.379) 16.587 7.049 ( -2.389 -6.490 18.493) 19.743 7.774 ( 1.448 8.619 -1.118) 8.811 8.192 ( 0.767 -7.885 -13.970) 16.060 9.782 ( 3.090 0.542 -3.266) 4.529 10.107 ( 5.140 -0.416 9.329) 10.660 10.477 ( -22.113 -0.366 16.219) 27.426 10.785 ( -1.286 -0.572 11.796) 11.880 11.000 ( -0.465 2.230 -4.680) 5.205 12.014 ( 5.197 -0.206 6.150) 8.055 12.461 ( -1.485 1.128 -13.981) 14.105 12.602 ( 2.232 -1.211 -19.829) 19.991 14.010 ( -4.934 -1.934 5.844) 7.890 14.346 ( -2.297 1.422 -2.916) 3.975 18.752 ( 3.327 0.192 25.302) 25.520 19.103 ( 10.297 -1.001 22.274) 24.560 28.079 ( 1.687 -0.081 72.856) 72.875 30.837 ( -10.631 0.252 18.422) 21.271 32.348 ( -13.306 -0.279 -14.245) 19.495 34.518 ( 2.958 -0.368 -68.069) 68.134 81.744 ( 6.378 -0.295 40.886) 41.382 84.679 ( 10.852 0.328 -26.764) 28.882 ======================= Grid point 1117 (335/511) ======================= q-point: (-0.50 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.667 ( -30.950 -3.182 26.712) 41.007 5.708 ( -23.380 2.326 8.852) 25.107 6.175 ( 3.108 5.602 22.154) 23.062 6.928 ( -14.259 -7.140 13.410) 20.836 7.704 ( -6.039 6.944 -3.104) 9.712 8.205 ( -2.910 -6.247 -15.198) 16.688 9.725 ( -11.254 -1.782 1.621) 11.509 9.850 ( -24.807 -0.231 10.655) 26.999 10.332 ( 4.460 0.152 12.953) 13.700 10.858 ( 8.810 0.009 3.150) 9.356 11.090 ( 10.195 4.447 1.900) 11.284 12.026 ( -4.045 -0.590 9.704) 10.530 12.341 ( -11.794 -0.811 -2.169) 12.020 12.711 ( 8.762 2.929 -21.696) 23.581 13.978 ( 0.801 -3.258 3.800) 5.069 14.339 ( 3.486 1.409 -6.044) 7.118 18.837 ( 5.477 0.848 23.772) 24.409 19.318 ( 10.931 -2.674 20.180) 23.105 28.120 ( 2.501 -0.351 72.662) 72.706 30.594 ( -13.998 0.386 17.135) 22.129 32.045 ( -17.970 -0.411 -13.759) 22.636 34.588 ( 3.936 -0.677 -68.427) 68.543 81.901 ( 9.406 -1.589 42.180) 43.245 84.932 ( 15.577 1.369 -28.450) 32.464 ======================= Grid point 1118 (336/511) ======================= q-point: (-0.44 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.100 ( -29.463 -5.737 27.096) 40.438 5.255 ( -22.711 0.379 9.679) 24.690 6.162 ( -4.142 3.635 17.456) 18.305 6.593 ( -21.663 -6.974 12.413) 25.923 7.406 ( -22.460 4.589 -2.753) 23.088 8.165 ( -2.825 -2.097 -14.619) 15.036 9.331 ( -20.518 0.901 13.720) 24.699 9.584 ( -8.323 -4.515 3.836) 10.216 10.409 ( 2.538 -0.036 9.763) 10.088 11.076 ( 12.338 3.954 -6.179) 14.354 11.287 ( 10.874 5.037 4.125) 12.674 11.872 ( -12.127 -2.182 13.819) 18.515 12.034 ( -18.656 -1.432 6.747) 19.890 12.866 ( 8.561 6.004 -17.718) 20.574 14.070 ( 6.885 -3.100 2.751) 8.036 14.489 ( 12.227 0.505 -8.748) 15.043 18.948 ( 6.512 1.855 21.583) 22.620 19.549 ( 10.984 -5.002 17.074) 20.909 28.180 ( 3.401 -0.888 72.354) 72.439 30.306 ( -15.251 0.459 15.718) 21.906 31.672 ( -20.568 -0.464 -13.000) 24.337 34.673 ( 4.363 -1.015 -69.017) 69.162 82.126 ( 12.479 -4.245 43.207) 45.173 85.255 ( 18.621 3.458 -30.960) 36.293 ======================= Grid point 1119 (337/511) ======================= q-point: (-0.38 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.615 ( -23.646 -8.969 28.719) 38.267 4.809 ( -24.302 0.601 12.785) 27.466 5.847 ( -28.304 -10.494 5.558) 30.694 6.310 ( -12.054 -1.578 10.544) 16.093 6.863 ( -26.482 5.477 7.939) 28.184 8.124 ( -1.532 1.316 -12.590) 12.751 9.045 ( -8.369 1.564 14.971) 17.223 9.531 ( 0.153 -4.820 2.851) 5.602 10.426 ( -0.524 0.698 8.457) 8.502 11.098 ( -11.680 6.397 -1.073) 13.360 11.415 ( -3.499 2.267 -13.047) 13.697 11.601 ( -7.135 -1.911 15.500) 17.170 11.837 ( 0.268 -1.646 19.519) 19.591 12.961 ( 4.808 8.726 -13.513) 16.789 14.260 ( 10.564 -3.262 3.625) 11.635 14.768 ( 15.851 0.913 -9.709) 18.611 19.063 ( 6.492 3.085 19.262) 20.560 19.789 ( 10.600 -7.510 12.515) 18.038 28.261 ( 4.286 -1.687 71.867) 72.014 30.016 ( -14.187 0.451 14.356) 20.188 31.272 ( -20.550 -0.395 -11.968) 23.784 34.763 ( 4.181 -1.297 -69.738) 69.875 82.422 ( 14.745 -8.240 43.219) 46.403 85.598 ( 18.939 6.567 -33.835) 39.327 ======================= Grid point 1120 (338/511) ======================= q-point: (-0.31 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( -13.573 -12.638 31.468) 36.526 4.270 ( -30.596 2.604 19.052) 36.137 5.382 ( -23.613 -14.350 0.899) 27.646 5.900 ( -30.402 -8.717 -6.925) 32.377 6.558 ( -2.673 8.271 27.373) 28.720 8.097 ( -0.035 3.306 -10.585) 11.090 8.980 ( 2.197 2.307 15.095) 15.428 9.616 ( 5.828 -4.219 1.509) 7.352 10.359 ( -7.927 2.024 6.652) 10.544 10.726 ( -18.273 1.730 7.156) 19.701 11.035 ( -23.962 -1.814 3.157) 24.237 11.761 ( 11.856 1.135 -8.214) 14.468 11.918 ( 5.412 1.696 21.376) 22.115 12.967 ( 0.953 10.512 -10.239) 14.706 14.482 ( 9.868 -3.954 5.233) 11.849 15.053 ( 13.647 2.473 -9.550) 16.840 19.160 ( 5.229 4.180 17.402) 18.645 20.024 ( 9.086 -9.561 6.612) 14.754 28.359 ( 4.661 -2.635 71.172) 71.373 29.768 ( -10.921 0.380 13.218) 17.150 30.902 ( -17.359 -0.165 -10.774) 20.432 34.843 ( 3.334 -1.440 -70.404) 70.498 82.761 ( 14.449 -12.947 41.558) 45.864 85.898 ( 15.707 10.165 -36.264) 40.805 ======================= Grid point 1121 (339/511) ======================= q-point: (-0.25 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( -3.147 -15.640 34.760) 38.246 3.688 ( -24.941 2.424 25.342) 35.638 5.050 ( -16.985 -5.992 -5.763) 18.910 5.480 ( -15.863 -16.613 -0.232) 22.971 6.527 ( 1.034 4.821 25.624) 26.094 8.084 ( 0.621 5.540 -9.671) 11.163 9.089 ( 9.281 1.460 15.614) 18.223 9.773 ( 7.304 -3.071 1.551) 8.074 10.045 ( -18.727 1.769 3.553) 19.143 10.522 ( -7.324 -2.262 9.948) 12.559 10.632 ( -15.162 -1.043 7.791) 17.078 11.951 ( 7.391 1.355 -7.461) 10.589 11.990 ( 3.205 2.906 15.873) 16.452 12.908 ( -1.021 11.405 -7.574) 13.729 14.657 ( 5.717 -4.472 6.304) 9.614 15.247 ( 7.664 3.905 -9.119) 12.536 19.218 ( 2.864 4.710 16.382) 17.285 20.219 ( 5.542 -10.622 0.517) 11.992 28.456 ( 3.467 -3.456 70.399) 70.569 29.602 ( -5.929 0.296 12.462) 13.803 30.628 ( -10.402 0.180 -9.745) 14.255 34.901 ( 1.861 -1.416 -70.801) 70.840 83.076 ( 9.612 -16.951 38.482) 43.135 86.082 ( 8.873 13.220 -37.090) 40.363 ======================= Grid point 1122 (340/511) ======================= q-point: (-0.19 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 0.000 -18.049 38.237) 42.283 3.404 ( -0.000 2.632 27.980) 28.104 4.877 ( 0.000 -2.420 -9.294) 9.604 5.423 ( 0.000 -14.762 7.047) 16.358 6.526 ( -0.000 0.492 21.250) 21.256 8.058 ( -0.000 7.971 -9.481) 12.386 9.228 ( 0.000 -1.070 17.025) 17.059 9.751 ( 0.000 -0.503 5.156) 5.180 9.936 ( 0.000 -0.173 -1.002) 1.017 10.381 ( 0.000 -4.400 2.805) 5.218 10.543 ( -0.000 0.598 15.406) 15.418 11.988 ( -0.000 4.085 23.112) 23.470 12.037 ( -0.000 0.233 -16.142) 16.144 12.837 ( -0.000 11.314 -5.758) 12.695 14.736 ( 0.000 -4.665 6.322) 7.857 15.301 ( -0.000 4.515 -8.775) 9.868 19.223 ( -0.000 4.474 16.306) 16.908 20.327 ( 0.000 -10.367 -3.710) 11.011 28.511 ( 0.000 -3.661 69.863) 69.959 29.542 ( -0.000 0.250 12.202) 12.204 30.522 ( -0.000 0.356 -9.329) 9.336 34.926 ( 0.000 -1.281 -70.779) 70.791 83.263 ( 0.000 -18.262 35.854) 40.237 86.100 ( -0.000 14.409 -35.238) 38.070 ======================= Grid point 1129 (341/511) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 826 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.830 ( -0.865 0.000 20.809) 20.827 6.245 ( 18.517 -0.000 11.726) 21.918 6.341 ( -10.240 0.000 19.583) 22.099 7.214 ( -8.874 0.000 13.478) 16.137 7.548 ( 9.658 -0.000 17.290) 19.804 8.180 ( -6.413 0.000 -16.441) 17.648 9.745 ( -4.372 0.000 0.137) 4.374 9.791 ( 4.447 -0.000 2.226) 4.973 10.834 ( -2.280 0.000 18.486) 18.627 10.849 ( 1.351 -0.000 3.022) 3.310 11.514 ( 19.406 -0.000 9.994) 21.828 11.568 ( -17.978 0.000 -4.416) 18.513 12.511 ( 1.420 -0.000 -19.807) 19.858 12.606 ( -3.019 0.000 -20.489) 20.711 14.179 ( -1.674 0.000 6.664) 6.872 14.406 ( 1.845 -0.000 0.042) 1.846 18.775 ( -5.436 0.000 24.927) 25.513 18.787 ( 4.943 -0.000 24.806) 25.293 28.045 ( 0.020 -0.000 73.051) 73.051 31.050 ( 0.259 -0.000 19.733) 19.735 32.619 ( -0.299 0.000 -14.572) 14.575 34.461 ( -0.316 0.000 -67.886) 67.886 81.613 ( 0.220 -0.000 39.418) 39.419 84.471 ( -0.042 0.000 -25.947) 25.947 ======================= Grid point 1130 (342/511) ======================= q-point: (-0.69 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.709 ( -16.585 -0.239 24.102) 29.258 6.127 ( -4.474 1.550 25.572) 26.007 6.452 ( -1.039 -0.242 4.684) 4.804 7.031 ( -6.502 -1.243 21.479) 22.476 7.768 ( 10.541 2.504 7.847) 13.378 8.098 ( -2.288 -2.228 -17.427) 17.718 9.724 ( 2.316 0.555 -2.804) 3.679 9.931 ( 9.195 -0.421 7.492) 11.868 10.758 ( -6.044 1.246 17.425) 18.486 10.846 ( -2.985 -1.699 9.677) 10.269 11.201 ( -17.964 0.612 -7.651) 19.535 11.829 ( 13.156 -0.157 6.382) 14.624 12.511 ( -0.869 2.290 -16.259) 16.442 12.559 ( -1.372 -2.434 -22.508) 22.681 14.108 ( -5.500 -0.220 6.881) 8.812 14.405 ( -1.737 0.249 -0.972) 2.006 18.720 ( -0.312 -0.037 25.843) 25.845 18.917 ( 8.223 -0.048 23.881) 25.257 28.054 ( 0.884 -0.001 72.970) 72.975 30.997 ( -5.601 0.037 19.356) 20.151 32.546 ( -7.225 -0.042 -14.499) 16.199 34.472 ( 1.444 -0.049 -67.927) 67.942 81.650 ( 3.421 0.015 39.877) 40.023 84.523 ( 5.433 0.005 -25.992) 26.553 ======================= Grid point 1131 (343/511) ======================= q-point: (-0.62 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.233 ( -29.415 -0.533 26.941) 39.892 6.144 ( 1.241 3.774 25.030) 25.344 6.198 ( -17.809 0.294 5.756) 18.718 6.996 ( -2.619 -3.935 19.685) 20.244 7.858 ( 1.614 7.907 -1.235) 8.164 8.114 ( 0.440 -7.506 -14.970) 16.752 9.788 ( 2.229 0.516 -3.590) 4.256 10.103 ( 5.829 -0.204 9.937) 11.522 10.474 ( -21.807 -0.171 16.577) 27.393 10.778 ( -2.055 -0.670 10.389) 10.612 11.018 ( 0.441 1.389 -5.146) 5.349 12.012 ( 5.189 -0.188 6.430) 8.265 12.473 ( -3.018 1.084 -10.405) 10.888 12.590 ( 4.327 -1.076 -23.195) 23.619 13.995 ( -5.440 -1.038 6.156) 8.281 14.357 ( -2.192 0.770 -3.195) 3.950 18.754 ( 3.506 0.108 25.347) 25.588 19.095 ( 9.869 -0.545 22.713) 24.771 28.078 ( 1.631 -0.044 72.832) 72.850 30.839 ( -10.591 0.136 18.409) 21.239 32.346 ( -13.345 -0.151 -14.236) 19.514 34.515 ( 2.878 -0.200 -68.083) 68.144 81.742 ( 6.116 -0.158 40.929) 41.384 84.682 ( 11.064 0.174 -26.829) 29.021 ======================= Grid point 1132 (344/511) ======================= q-point: (-0.56 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.642 ( -31.721 -2.039 26.934) 41.663 5.724 ( -24.730 1.057 6.320) 25.547 6.231 ( 4.329 5.397 25.077) 26.014 6.861 ( -14.751 -6.070 15.240) 22.061 7.771 ( -7.771 6.424 -4.297) 10.961 8.143 ( -1.032 -6.030 -15.274) 16.454 9.711 ( -10.805 -1.012 0.961) 10.895 9.849 ( -26.204 -0.045 10.660) 28.289 10.334 ( 4.408 0.202 13.292) 14.005 10.857 ( 10.149 -0.303 2.117) 10.372 11.128 ( 10.560 3.095 2.132) 11.208 12.021 ( -4.547 -0.550 9.984) 10.984 12.335 ( -11.909 -0.422 -1.954) 12.076 12.735 ( 9.998 1.942 -22.310) 24.525 13.951 ( 0.755 -2.205 4.252) 4.849 14.351 ( 3.085 0.939 -6.494) 7.251 18.844 ( 5.816 0.602 23.690) 24.401 19.296 ( 10.174 -1.816 21.310) 23.684 28.117 ( 2.351 -0.233 72.623) 72.661 30.597 ( -13.972 0.258 17.115) 22.095 32.042 ( -17.989 -0.273 -13.721) 22.626 34.583 ( 3.828 -0.455 -68.470) 68.578 81.888 ( 8.671 -1.050 42.275) 43.168 84.944 ( 16.145 0.895 -28.880) 33.099 ======================= Grid point 1133 (345/511) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.052 ( -30.296 -4.017 26.440) 40.411 5.251 ( -23.966 -1.012 6.639) 24.889 6.212 ( -7.439 6.381 19.419) 21.752 6.522 ( -19.712 -7.583 15.070) 25.946 7.446 ( -23.594 3.393 -3.777) 24.134 8.143 ( -0.939 -2.157 -14.577) 14.765 9.344 ( -20.115 1.578 12.911) 23.954 9.542 ( -8.670 -3.957 4.084) 10.369 10.408 ( 2.632 -0.001 10.346) 10.675 11.110 ( 14.330 2.735 -8.333) 16.801 11.335 ( 10.794 4.562 5.804) 13.077 11.848 ( -13.255 -2.438 14.441) 19.753 12.023 ( -19.159 -0.795 6.163) 20.141 12.917 ( 9.534 4.342 -17.989) 20.817 14.045 ( 7.436 -2.020 3.042) 8.284 14.493 ( 11.787 0.150 -9.402) 15.078 18.965 ( 7.052 1.566 21.211) 22.408 19.504 ( 9.952 -3.954 19.272) 22.048 28.172 ( 3.127 -0.676 72.318) 72.389 30.310 ( -15.253 0.352 15.695) 21.889 31.668 ( -20.547 -0.348 -12.911) 24.269 34.664 ( 4.246 -0.788 -69.117) 69.251 82.089 ( 11.140 -3.190 43.435) 44.954 85.285 ( 19.639 2.557 -32.214) 37.815 ======================= Grid point 1134 (346/511) ======================= q-point: (-0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( -24.568 -6.379 26.792) 36.906 4.802 ( -24.112 -1.900 8.927) 25.782 5.760 ( -32.869 -7.045 8.406) 34.651 6.294 ( -13.783 -1.547 10.290) 17.270 6.915 ( -23.966 4.899 9.082) 26.093 8.128 ( -1.214 -0.425 -12.676) 12.742 9.066 ( -7.303 2.756 14.322) 16.311 9.485 ( 0.294 -4.388 3.515) 5.629 10.432 ( -0.150 0.425 9.114) 9.125 11.166 ( -12.994 7.154 -3.802) 15.313 11.427 ( -8.386 0.100 -11.128) 13.935 11.584 ( -3.440 -1.310 15.705) 16.131 11.821 ( 2.075 -1.563 19.790) 19.960 13.038 ( 5.573 6.837 -13.825) 16.399 14.235 ( 10.698 -1.763 3.826) 11.498 14.773 ( 16.185 0.138 -10.488) 19.286 19.093 ( 7.183 2.986 18.511) 20.079 19.718 ( 9.475 -6.679 15.993) 19.752 28.245 ( 3.891 -1.422 71.893) 72.012 30.020 ( -14.217 0.382 14.333) 20.192 31.269 ( -20.467 -0.319 -11.831) 23.643 34.751 ( 4.084 -1.130 -69.927) 70.056 82.347 ( 12.873 -6.764 43.786) 46.137 85.657 ( 20.310 5.261 -36.397) 42.011 ======================= Grid point 1135 (347/511) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( -14.353 -9.133 28.338) 33.053 4.288 ( -29.982 0.936 16.390) 34.182 5.235 ( -24.068 -15.102 1.874) 28.476 5.819 ( -33.503 -7.391 -7.349) 35.087 6.647 ( -2.606 9.167 28.559) 30.107 8.111 ( -0.451 -0.319 -10.255) 10.270 9.017 ( 3.473 5.014 13.997) 15.268 9.574 ( 6.213 -4.196 2.573) 7.926 10.377 ( -7.030 1.634 7.167) 10.172 10.749 ( -20.622 2.979 6.155) 21.726 11.011 ( -24.752 -2.984 4.445) 25.324 11.772 ( 11.960 1.015 -8.674) 14.809 11.934 ( 6.504 1.403 21.423) 22.432 13.065 ( 1.501 9.166 -10.827) 14.265 14.450 ( 9.799 -2.514 5.593) 11.560 15.072 ( 14.247 1.477 -10.261) 17.619 19.203 ( 5.865 4.485 16.377) 17.964 19.930 ( 8.135 -9.320 11.254) 16.724 28.334 ( 4.203 -2.410 71.359) 71.523 29.772 ( -10.965 0.351 13.197) 17.161 30.901 ( -17.200 -0.131 -10.642) 20.226 34.829 ( 3.279 -1.394 -70.708) 70.798 82.640 ( 12.427 -11.355 42.810) 46.001 85.991 ( 17.101 8.613 -40.405) 44.713 ======================= Grid point 1136 (348/511) ======================= q-point: (-0.31 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( -3.685 -12.042 30.940) 33.405 3.713 ( -24.994 2.423 23.935) 34.691 4.973 ( -12.251 -10.371 -4.383) 16.638 5.300 ( -21.698 -17.972 -6.257) 28.861 6.598 ( 0.796 8.906 30.061) 31.363 8.113 ( 0.435 0.417 -9.072) 9.092 9.127 ( 10.062 6.310 14.293) 18.584 9.743 ( 8.142 -3.074 2.559) 9.071 10.064 ( -19.468 2.252 3.196) 19.857 10.492 ( -11.741 -3.832 8.290) 14.874 10.622 ( -12.058 -0.877 10.818) 16.224 11.961 ( 7.564 0.888 -12.676) 14.788 12.019 ( 3.286 3.013 20.844) 21.316 13.019 ( -0.613 10.996 -8.616) 13.983 14.618 ( 5.670 -3.451 6.965) 9.622 15.281 ( 8.057 3.004 -9.712) 12.971 19.268 ( 3.222 5.446 15.310) 16.566 20.111 ( 5.000 -11.119 5.923) 13.554 28.422 ( 3.110 -3.397 70.824) 70.973 29.605 ( -5.959 0.296 12.441) 13.798 30.630 ( -10.230 0.192 -9.685) 14.089 34.887 ( 1.846 -1.520 -71.216) 71.256 82.913 ( 8.193 -15.747 40.684) 44.387 86.206 ( 9.805 11.759 -42.663) 45.327 ======================= Grid point 1137 (349/511) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 826 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 0.000 -15.165 34.051) 37.275 3.432 ( -0.000 2.939 27.055) 27.215 4.852 ( 0.000 -2.712 -8.835) 9.242 5.223 ( 0.000 -24.831 -1.241) 24.862 6.568 ( -0.000 7.314 28.411) 29.337 8.112 ( -0.000 2.772 -9.190) 9.599 9.248 ( -0.000 5.303 16.395) 17.231 9.746 ( 0.000 -0.539 5.178) 5.206 9.935 ( 0.000 -0.180 -1.035) 1.051 10.326 ( 0.000 -6.910 4.845) 8.439 10.549 ( -0.000 0.636 15.351) 15.365 12.029 ( -0.000 4.085 22.993) 23.353 12.039 ( -0.000 0.251 -16.111) 16.113 12.953 ( -0.000 11.914 -7.319) 13.983 14.693 ( 0.000 -4.098 7.243) 8.322 15.343 ( -0.000 3.908 -9.343) 10.128 19.272 ( -0.000 5.498 15.365) 16.320 20.218 ( 0.000 -11.587 1.812) 11.728 28.473 ( 0.000 -3.878 70.434) 70.540 29.545 ( -0.000 0.270 12.182) 12.185 30.526 ( -0.000 0.385 -9.320) 9.328 34.912 ( 0.000 -1.510 -71.252) 71.268 83.082 ( 0.000 -18.089 38.717) 42.734 86.239 ( -0.000 13.630 -41.565) 43.743 ======================= Grid point 1146 (350/511) ======================= q-point: (-0.69 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.230 ( -29.626 0.000 27.133) 40.173 6.165 ( 5.232 -0.000 26.542) 27.053 6.198 ( -21.527 0.000 4.389) 21.970 6.976 ( -2.764 0.000 20.047) 20.237 7.906 ( 1.942 -0.000 0.693) 2.062 8.068 ( 0.060 -0.000 -17.235) 17.235 9.791 ( 1.867 -0.000 -3.734) 4.175 10.103 ( 6.172 -0.000 10.177) 11.903 10.473 ( -21.740 0.000 16.709) 27.419 10.774 ( -2.292 0.000 9.804) 10.069 11.025 ( 0.727 -0.000 -5.223) 5.273 12.011 ( 5.186 -0.000 6.482) 8.301 12.479 ( -3.965 0.000 -8.377) 9.268 12.584 ( 5.473 -0.000 -25.110) 25.699 13.990 ( -5.623 0.000 6.267) 8.420 14.361 ( -2.154 0.000 -3.292) 3.934 18.754 ( 3.570 -0.000 25.362) 25.612 19.093 ( 9.717 -0.000 22.868) 24.847 28.078 ( 1.612 -0.000 72.823) 72.841 30.839 ( -10.577 0.000 18.404) 21.227 32.345 ( -13.359 0.000 -14.233) 19.520 34.514 ( 2.849 -0.000 -68.088) 68.148 81.741 ( 6.024 -0.000 40.944) 41.385 84.683 ( 11.138 -0.000 -26.851) 29.070 ======================= Grid point 1148 (351/511) ======================= q-point: (-0.62 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.628 ( -32.126 -0.702 27.062) 42.011 5.730 ( -25.497 0.290 5.172) 26.018 6.271 ( 5.482 2.352 26.565) 27.226 6.817 ( -15.408 -2.527 15.977) 22.339 7.821 ( -10.069 3.077 -4.496) 11.449 8.096 ( 1.275 -2.955 -15.615) 15.944 9.704 ( -10.580 -0.325 0.609) 10.602 9.849 ( -27.020 0.003 10.641) 29.039 10.335 ( 4.384 0.095 13.474) 14.169 10.854 ( 10.951 -0.165 1.548) 11.061 11.149 ( 10.775 1.112 2.264) 11.066 12.017 ( -4.840 -0.225 10.090) 11.193 12.332 ( -11.979 -0.129 -1.815) 12.117 12.749 ( 10.665 0.682 -22.642) 25.037 13.936 ( 0.740 -0.781 4.507) 4.634 14.357 ( 2.859 0.330 -6.736) 7.325 18.848 ( 6.013 0.219 23.630) 24.384 19.283 ( 9.753 -0.645 21.937) 24.016 28.116 ( 2.270 -0.082 72.601) 72.636 30.599 ( -13.958 0.090 17.104) 22.077 32.040 ( -17.998 -0.095 -13.700) 22.619 34.579 ( 3.769 -0.161 -68.493) 68.597 81.880 ( 8.277 -0.367 42.325) 43.129 84.950 ( 16.447 0.311 -29.108) 33.435 ======================= Grid point 1149 (352/511) ======================= q-point: (-0.56 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.022 ( -30.733 -2.060 26.009) 40.315 5.240 ( -25.009 -0.943 4.974) 25.517 6.283 ( -10.428 7.856 19.916) 23.815 6.444 ( -17.439 -8.094 17.164) 25.773 7.472 ( -24.568 1.833 -4.401) 25.026 8.125 ( 0.372 -1.381 -14.412) 14.483 9.360 ( -20.030 1.508 12.619) 23.722 9.508 ( -8.637 -2.663 3.935) 9.857 10.409 ( 2.648 0.015 10.745) 11.067 11.130 ( 15.621 1.321 -9.527) 18.345 11.373 ( 11.354 2.894 6.517) 13.408 11.827 ( -14.580 -1.691 14.970) 20.965 12.017 ( -19.449 -0.349 5.787) 20.294 12.950 ( 10.068 2.252 -18.073) 20.811 14.031 ( 8.023 -0.959 3.140) 8.669 14.493 ( 11.375 0.001 -9.825) 15.030 18.977 ( 7.470 0.917 20.869) 22.184 19.473 ( 9.211 -2.203 20.835) 22.886 28.167 ( 2.944 -0.365 72.292) 72.353 30.313 ( -15.255 0.190 15.680) 21.877 31.665 ( -20.531 -0.186 -12.854) 24.224 34.658 ( 4.165 -0.430 -69.181) 69.307 82.065 ( 10.266 -1.707 43.577) 44.802 85.304 ( 20.289 1.353 -33.029) 38.787 ======================= Grid point 1150 (353/511) ======================= q-point: (-0.50 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( -24.945 -3.682 25.191) 35.643 4.778 ( -24.159 -2.572 6.157) 25.064 5.708 ( -36.571 -3.681 10.518) 38.231 6.280 ( -15.122 -1.129 10.138) 18.241 6.957 ( -21.746 3.439 9.864) 24.125 8.119 ( -1.439 -1.078 -12.511) 12.640 9.095 ( -6.163 2.778 13.805) 15.371 9.446 ( 0.410 -3.296 3.815) 5.058 10.435 ( 0.070 0.219 9.624) 9.627 11.235 ( -13.666 6.742 -7.319) 16.905 11.417 ( -13.921 -2.154 -7.584) 15.999 11.576 ( 0.796 -0.446 15.233) 15.260 11.807 ( 3.522 -1.211 19.917) 20.262 13.093 ( 6.104 4.211 -13.706) 15.584 14.224 ( 10.919 -0.577 3.639) 11.524 14.772 ( 16.381 -0.246 -11.049) 19.760 19.120 ( 7.845 2.284 17.639) 19.440 19.661 ( 8.497 -4.723 18.941) 21.290 28.233 ( 3.591 -0.946 71.903) 71.999 30.023 ( -14.241 0.255 14.316) 20.195 31.266 ( -20.402 -0.206 -11.733) 23.536 34.741 ( 4.002 -0.770 -70.063) 70.182 82.291 ( 11.509 -4.419 44.168) 45.856 85.700 ( 21.271 3.372 -38.265) 43.909 ======================= Grid point 1151 (354/511) ======================= q-point: (-0.44 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -14.507 -5.289 25.212) 29.565 4.288 ( -28.601 -0.699 13.566) 31.663 5.098 ( -26.886 -12.122 3.723) 29.726 5.759 ( -35.279 -4.845 -6.665) 36.229 6.730 ( -2.170 7.381 28.359) 29.384 8.097 ( -1.304 -2.243 -9.573) 9.918 9.072 ( 5.132 5.814 12.731) 14.907 9.535 ( 6.491 -3.645 3.326) 8.154 10.391 ( -6.066 1.061 7.823) 9.956 10.783 ( -23.056 3.956 5.178) 23.959 10.977 ( -25.202 -3.835 5.093) 25.996 11.781 ( 11.963 0.727 -8.731) 14.828 11.946 ( 7.404 0.965 21.360) 22.627 13.143 ( 1.997 6.514 -10.709) 12.692 14.433 ( 9.685 -1.054 5.362) 11.120 15.082 ( 14.764 0.610 -10.782) 18.292 19.246 ( 6.570 4.111 14.985) 16.870 19.845 ( 7.195 -7.727 15.666) 18.892 28.313 ( 3.823 -1.830 71.487) 71.613 29.775 ( -11.001 0.268 13.179) 17.169 30.900 ( -17.066 -0.088 -10.539) 20.058 34.816 ( 3.220 -1.107 -70.942) 71.023 82.542 ( 10.852 -8.367 43.698) 45.796 86.064 ( 18.115 6.160 -43.647) 47.657 ======================= Grid point 1152 (355/511) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( -3.756 -6.995 26.522) 27.685 3.734 ( -24.613 1.918 22.633) 33.492 4.837 ( -8.852 -16.900 -3.186) 19.342 5.160 ( -27.055 -9.997 -8.118) 29.963 6.688 ( 0.736 8.747 31.135) 32.349 8.098 ( -0.108 -3.136 -7.865) 8.467 9.206 ( 11.744 9.163 12.135) 19.213 9.714 ( 9.328 -2.847 3.342) 10.310 10.089 ( -20.477 2.721 3.285) 20.917 10.448 ( -16.557 -5.097 7.233) 18.773 10.615 ( -9.090 -0.462 12.664) 15.596 11.969 ( 7.326 0.579 -13.974) 15.788 12.047 ( 3.743 2.438 21.924) 22.375 13.118 ( -0.229 8.814 -8.760) 12.429 14.591 ( 5.562 -2.018 6.987) 9.156 15.305 ( 8.422 1.889 -10.143) 13.319 19.323 ( 3.651 5.595 13.746) 15.283 20.005 ( 4.435 -10.228 11.371) 15.924 28.391 ( 2.794 -2.839 71.146) 71.257 29.607 ( -5.988 0.251 12.422) 13.792 30.631 ( -10.080 0.171 -9.635) 13.945 34.872 ( 1.820 -1.365 -71.552) 71.588 82.773 ( 7.035 -12.625 42.314) 44.714 86.309 ( 10.493 9.055 -47.249) 49.240 ======================= Grid point 1153 (356/511) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 0.000 -9.763 29.145) 30.737 3.461 ( -0.000 2.809 26.115) 26.265 4.825 ( 0.000 -2.601 -8.355) 8.751 4.959 ( 0.000 -27.840 -4.581) 28.214 6.653 ( -0.000 9.158 31.109) 32.429 8.113 ( 0.000 -2.274 -7.965) 8.283 9.333 ( -0.000 11.770 14.300) 18.521 9.741 ( 0.000 -0.494 5.199) 5.223 9.933 ( 0.000 -0.161 -1.070) 1.082 10.246 ( 0.000 -9.257 6.766) 11.466 10.555 ( -0.000 0.577 15.300) 15.311 12.041 ( -0.000 0.232 -16.080) 16.082 12.066 ( -0.000 3.436 22.763) 23.021 13.065 ( -0.000 10.516 -7.954) 13.185 14.658 ( 0.000 -2.867 7.609) 8.131 15.376 ( -0.000 2.819 -9.778) 10.177 19.329 ( -0.000 6.053 13.965) 15.220 20.104 ( 0.000 -11.428 7.621) 13.735 28.436 ( 0.000 -3.513 70.903) 70.990 29.548 ( -0.000 0.250 12.162) 12.164 30.529 ( -0.000 0.355 -9.311) 9.318 34.897 ( 0.000 -1.501 -71.661) 71.677 82.915 ( 0.000 -15.579 40.950) 43.813 86.362 ( -0.000 11.209 -47.067) 48.383 ======================= Grid point 1164 (357/511) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 826 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.011 ( -30.865 0.000 25.859) 40.266 5.235 ( -25.416 0.000 4.463) 25.805 6.361 ( 2.108 -0.000 24.491) 24.581 6.366 ( -30.194 0.000 13.405) 33.036 7.481 ( -24.957 0.000 -4.614) 25.380 8.118 ( 0.850 -0.000 -14.328) 14.353 9.368 ( -20.206 0.000 12.702) 23.867 9.494 ( -8.403 0.000 3.684) 9.175 10.409 ( 2.646 -0.000 10.886) 11.203 11.136 ( 16.045 -0.000 -9.878) 18.842 11.388 ( 11.767 -0.000 6.649) 13.516 11.818 ( -15.229 0.000 15.193) 21.512 12.016 ( -19.545 0.000 5.660) 20.349 12.961 ( 10.230 -0.000 -18.080) 20.774 14.026 ( 8.277 -0.000 3.154) 8.858 14.493 ( 11.205 -0.000 -9.971) 14.999 18.982 ( 7.631 -0.000 20.724) 22.084 19.462 ( 8.937 -0.000 21.408) 23.199 28.165 ( 2.880 -0.000 72.283) 72.340 30.314 ( -15.255 0.000 15.675) 21.873 31.664 ( -20.525 0.000 -12.835) 24.208 34.656 ( 4.136 -0.000 -69.203) 69.326 82.056 ( 9.963 -0.000 43.625) 44.748 85.311 ( 20.512 -0.000 -33.311) 39.120 ======================= Grid point 1166 (358/511) ======================= q-point: (-0.56 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( -25.014 -1.184 24.269) 34.872 4.758 ( -24.364 -1.156 4.820) 24.863 5.685 ( -38.544 -1.094 11.540) 40.249 6.273 ( -15.817 -0.413 10.090) 18.766 6.980 ( -20.486 1.245 10.242) 22.938 8.111 ( -1.715 -0.529 -12.344) 12.474 9.116 ( -5.453 1.213 13.583) 14.687 9.423 ( 0.485 -1.290 3.845) 4.084 10.436 ( 0.165 0.067 9.896) 9.898 11.291 ( -12.770 3.955 -12.737) 18.465 11.391 ( -18.236 -2.414 -1.727) 18.476 11.574 ( 3.102 -0.043 14.555) 14.882 11.798 ( 4.360 -0.470 19.966) 20.442 13.120 ( 6.362 1.400 -13.481) 14.972 14.222 ( 11.095 -0.072 3.387) 11.600 14.770 ( 16.461 -0.156 -11.340) 19.990 19.136 ( 8.284 0.880 16.982) 18.915 19.629 ( 7.893 -1.731 20.720) 22.240 28.227 ( 3.430 -0.332 71.905) 71.987 30.025 ( -14.254 0.090 14.307) 20.196 31.265 ( -20.366 -0.071 -11.682) 23.479 34.736 ( 3.956 -0.273 -70.134) 70.246 82.262 ( 10.793 -1.534 44.358) 45.678 85.722 ( 21.762 1.159 -39.245) 44.889 ======================= Grid point 1167 (359/511) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( -14.239 -2.174 22.809) 26.976 4.278 ( -27.205 -1.191 11.239) 29.459 5.005 ( -30.021 -6.447 5.739) 31.238 5.723 ( -36.058 -2.368 -6.066) 36.641 6.787 ( -1.776 4.100 27.940) 28.295 8.075 ( -2.049 -1.879 -9.004) 9.424 9.123 ( 6.511 3.987 11.868) 14.111 9.505 ( 6.596 -2.329 3.708) 7.917 10.398 ( -5.365 0.501 8.343) 9.932 10.824 ( -25.210 4.133 4.336) 25.912 10.938 ( -25.053 -4.006 5.471) 25.954 11.786 ( 11.930 0.371 -8.606) 14.715 11.953 ( 8.001 0.481 21.247) 22.709 13.191 ( 2.338 3.295 -10.234) 11.003 14.427 ( 9.578 -0.197 4.851) 10.738 15.086 ( 15.118 0.129 -11.085) 18.747 19.281 ( 7.213 2.643 13.475) 15.511 19.783 ( 6.411 -4.571 19.172) 20.726 28.299 ( 3.574 -0.986 71.558) 71.654 29.777 ( -11.026 0.145 13.167) 17.174 30.899 ( -16.977 -0.043 -10.476) 19.949 34.808 ( 3.175 -0.613 -71.086) 71.160 82.479 ( 9.856 -4.425 44.219) 45.520 86.110 ( 18.723 3.193 -45.693) 49.484 ======================= Grid point 1168 (360/511) ======================= q-point: (-0.44 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( -3.296 -2.603 22.374) 22.764 3.749 ( -23.978 1.062 21.474) 32.206 4.671 ( -10.641 -15.161 -2.338) 18.669 5.093 ( -27.626 -4.231 -7.843) 29.028 6.763 ( 0.773 6.204 30.977) 31.602 8.062 ( -0.683 -3.617 -6.802) 7.734 9.295 ( 13.700 8.217 10.149) 18.926 9.688 ( 10.556 -2.381 3.917) 11.508 10.117 ( -21.198 2.908 3.775) 21.727 10.396 ( -20.696 -5.058 6.534) 22.284 10.612 ( -7.223 -0.183 13.510) 15.320 11.973 ( 7.128 0.331 -14.240) 15.928 12.066 ( 4.102 1.537 22.016) 22.447 13.189 ( 0.074 5.529 -8.226) 9.912 14.578 ( 5.434 -0.787 6.490) 8.501 15.319 ( 8.705 0.917 -10.395) 13.589 19.375 ( 4.117 4.682 11.660) 13.222 19.915 ( 3.885 -7.692 16.361) 18.492 28.368 ( 2.561 -1.877 71.351) 71.422 29.609 ( -6.009 0.168 12.407) 13.787 30.633 ( -9.970 0.118 -9.601) 13.841 34.861 ( 1.794 -0.949 -71.782) 71.811 82.670 ( 6.221 -8.131 43.361) 44.553 86.382 ( 10.936 5.653 -50.462) 51.942 ======================= Grid point 1169 (361/511) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 826 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 0.000 -4.040 24.049) 24.386 3.486 ( -0.000 2.219 25.302) 25.400 4.697 ( 0.000 -24.266 -4.971) 24.770 4.802 ( 0.000 -2.061 -7.931) 8.195 6.738 ( -0.000 7.732 31.521) 32.455 8.077 ( 0.000 -4.357 -6.562) 7.877 9.469 ( -0.000 15.238 11.683) 19.201 9.737 ( 0.000 -0.375 5.216) 5.230 9.931 ( 0.000 -0.119 -1.100) 1.107 10.145 ( 0.000 -11.164 8.484) 14.022 10.560 ( -0.000 0.435 15.259) 15.266 12.043 ( -0.000 0.177 -16.054) 16.055 12.095 ( -0.000 2.409 22.490) 22.619 13.155 ( -0.000 7.586 -7.656) 10.778 14.637 ( 0.000 -1.478 7.332) 7.480 15.398 ( -0.000 1.653 -10.044) 10.179 19.388 ( -0.000 5.802 11.953) 13.287 19.998 ( 0.000 -9.762 13.250) 16.458 28.406 ( 0.000 -2.648 71.230) 71.280 29.550 ( -0.000 0.191 12.145) 12.146 30.533 ( -0.000 0.272 -9.304) 9.308 34.884 ( 0.000 -1.213 -71.965) 71.976 82.781 ( 0.000 -11.349 42.486) 43.976 86.457 ( -0.000 7.851 -51.233) 51.831 ======================= Grid point 1182 (362/511) ======================= q-point: (-0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -14.052 0.000 21.892) 26.013 4.271 ( -26.646 0.000 10.329) 28.578 4.973 ( -31.336 0.000 6.616) 32.027 5.712 ( -36.271 0.000 -5.847) 36.739 6.808 ( -1.623 0.000 27.757) 27.804 8.065 ( -2.337 0.000 -8.796) 9.101 9.143 ( 7.060 -0.000 11.592) 13.573 9.493 ( 6.594 -0.000 3.801) 7.611 10.401 ( -5.113 0.000 8.538) 9.952 10.852 ( -26.850 0.000 3.536) 27.082 10.911 ( -24.128 0.000 6.067) 24.879 11.788 ( 11.912 -0.000 -8.532) 14.652 11.955 ( 8.210 -0.000 21.193) 22.728 13.207 ( 2.459 -0.000 -9.982) 10.280 14.427 ( 9.534 -0.000 4.592) 10.582 15.086 ( 15.244 -0.000 -11.182) 18.905 19.294 ( 7.500 -0.000 12.733) 14.778 19.760 ( 6.077 -0.000 20.612) 21.490 28.294 ( 3.487 -0.000 71.581) 71.665 29.778 ( -11.034 0.000 13.163) 17.176 30.899 ( -16.946 0.000 -10.454) 19.911 34.805 ( 3.158 -0.000 -71.135) 71.205 82.457 ( 9.516 -0.000 44.389) 45.398 86.126 ( 18.925 -0.000 -46.391) 50.102 ======================= Grid point 1184 (363/511) ======================= q-point: (-0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( -2.751 -0.419 19.744) 19.939 3.756 ( -23.420 0.281 20.705) 31.262 4.563 ( -12.772 -5.885 -1.452) 14.137 5.068 ( -27.269 -1.224 -7.503) 28.309 6.805 ( 0.820 2.246 30.681) 30.774 8.035 ( -1.037 -1.536 -6.253) 6.521 9.355 ( 15.037 3.410 8.977) 17.842 9.670 ( 11.380 -1.077 4.266) 12.201 10.141 ( -21.161 1.559 4.380) 21.666 10.357 ( -23.588 -2.428 5.964) 24.451 10.611 ( -6.384 -0.045 13.821) 15.224 11.975 ( 7.030 0.108 -14.264) 15.902 12.076 ( 4.285 0.520 21.938) 22.359 13.226 ( 0.242 1.858 -7.667) 7.892 14.573 ( 5.346 -0.152 5.991) 8.031 15.324 ( 8.860 0.253 -10.498) 13.739 19.409 ( 4.487 1.972 9.732) 10.896 19.861 ( 3.476 -3.013 19.839) 20.365 28.355 ( 2.438 -0.656 71.449) 71.493 29.611 ( -6.021 0.059 12.400) 13.784 30.634 ( -9.911 0.042 -9.583) 13.787 34.854 ( 1.777 -0.340 -71.898) 71.921 82.615 ( 5.801 -2.804 43.866) 44.337 86.419 ( 11.151 1.917 -52.107) 53.321 ======================= Grid point 1185 (364/511) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 824 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 0.000 -0.519 19.899) 19.906 3.503 ( -0.000 1.228 24.751) 24.782 4.502 ( 0.000 -14.506 -4.199) 15.102 4.786 ( 0.000 -1.143 -7.638) 7.723 6.798 ( -0.000 4.399 31.266) 31.574 8.038 ( 0.000 -3.184 -5.648) 6.484 9.618 ( -0.000 13.986 9.118) 16.696 9.734 ( 0.000 -0.202 5.227) 5.231 9.931 ( 0.000 -0.063 -1.121) 1.123 10.032 ( 0.000 -11.155 10.299) 15.182 10.563 ( -0.000 0.233 15.233) 15.235 12.045 ( -0.000 0.096 -16.036) 16.037 12.113 ( -0.000 1.225 22.269) 22.303 13.211 ( -0.000 3.890 -6.960) 7.973 14.628 ( 0.000 -0.489 6.756) 6.774 15.409 ( -0.000 0.704 -10.162) 10.187 19.438 ( -0.000 3.984 9.494) 10.296 19.918 ( 0.000 -6.074 18.073) 19.067 28.385 ( 0.000 -1.420 71.416) 71.430 29.551 ( -0.000 0.103 12.133) 12.134 30.535 ( -0.000 0.147 -9.299) 9.300 34.874 ( 0.000 -0.678 -72.149) 72.152 82.695 ( 0.000 -5.967 43.368) 43.776 86.515 ( -0.000 4.020 -53.806) 53.956 ======================= Grid point 1201 (365/511) ======================= q-point: ( 0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 447 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -0.000 0.000 18.239) 18.239 3.509 ( -0.000 0.000 24.556) 24.556 4.428 ( -0.000 0.000 -3.707) 3.707 4.780 ( -0.000 0.000 -7.533) 7.533 6.821 ( -0.000 0.000 31.109) 31.109 8.021 ( -0.000 0.000 -5.352) 5.352 9.703 ( -0.000 0.000 7.080) 7.080 9.733 ( -0.000 0.000 5.231) 5.231 9.930 ( -0.000 0.000 -1.129) 1.129 9.961 ( -0.000 0.000 12.066) 12.066 10.564 ( -0.000 0.000 15.225) 15.225 12.045 ( -0.000 0.000 -16.030) 16.030 12.119 ( -0.000 0.000 22.185) 22.185 13.231 ( -0.000 0.000 -6.611) 6.611 14.625 ( -0.000 0.000 6.467) 6.467 15.413 ( -0.000 0.000 -10.191) 10.191 19.459 ( -0.000 0.000 8.115) 8.115 19.887 ( -0.000 0.000 20.272) 20.272 28.378 ( -0.000 0.000 71.475) 71.475 29.552 ( -0.000 0.000 12.129) 12.129 30.535 ( -0.000 0.000 -9.297) 9.297 34.871 ( -0.000 0.000 -72.210) 72.210 82.666 ( -0.000 0.000 43.653) 43.653 86.535 ( -0.000 0.000 -54.674) 54.674 ======================= Grid point 1325 (366/511) ======================= q-point: ( 0.00 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.910 ( 0.000 0.000 23.472) 23.472 4.542 ( 0.000 0.000 39.547) 39.547 4.672 ( 0.000 0.000 -13.721) 13.721 5.696 ( 0.000 0.000 -8.007) 8.007 6.866 ( 0.000 0.000 15.284) 15.284 7.590 ( 0.000 0.000 -14.550) 14.550 9.616 ( 0.000 0.000 14.151) 14.151 9.839 ( 0.000 0.000 2.808) 2.808 9.916 ( 0.000 0.000 -1.265) 1.265 10.240 ( 0.000 0.000 -14.364) 14.364 10.892 ( 0.000 0.000 18.596) 18.596 11.675 ( 0.000 0.000 -18.101) 18.101 12.387 ( 0.000 0.000 20.063) 20.063 12.706 ( 0.000 0.000 3.569) 3.569 14.923 ( 0.000 0.000 4.466) 4.466 15.084 ( 0.000 0.000 -4.573) 4.573 19.487 ( 0.000 0.000 15.544) 15.544 20.182 ( 0.000 0.000 -17.052) 17.052 29.799 ( 0.000 0.000 12.720) 12.720 30.102 ( 0.000 0.000 77.467) 77.467 30.303 ( 0.000 0.000 -11.059) 11.059 33.404 ( 0.000 0.000 -77.740) 77.740 84.206 ( 0.000 0.000 28.921) 28.921 85.333 ( 0.000 0.000 -24.868) 24.868 ======================= Grid point 1326 (367/511) ======================= q-point: ( 0.06 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.105 ( 18.707 0.247 21.343) 28.382 4.415 ( -2.345 4.479 26.302) 26.783 5.023 ( 26.745 2.287 -0.645) 26.850 5.765 ( 8.478 4.346 -8.543) 12.796 6.857 ( -1.037 -1.410 16.559) 16.652 7.603 ( 0.342 -4.181 -14.726) 15.312 9.408 ( -11.082 0.738 11.045) 15.663 9.763 ( -9.735 0.152 -5.303) 11.087 10.136 ( 19.699 0.112 5.712) 20.511 10.483 ( 18.196 -0.402 -10.965) 21.248 10.893 ( 0.764 -0.192 17.943) 17.961 11.642 ( -2.752 -0.055 -16.204) 16.436 12.374 ( -1.568 -0.810 20.224) 20.301 12.706 ( -0.534 -1.313 2.885) 3.214 14.857 ( -6.495 0.735 4.210) 7.775 15.018 ( -6.868 -0.866 -4.684) 8.359 19.472 ( -1.646 -0.514 15.704) 15.798 20.150 ( -3.188 0.453 -15.806) 16.131 29.863 ( 6.453 -0.055 12.986) 14.501 30.030 ( -5.073 0.479 67.887) 68.078 30.435 ( 11.309 0.032 -1.701) 11.436 33.387 ( -1.604 0.414 -77.636) 77.653 84.100 ( -9.880 2.606 30.422) 32.092 85.270 ( -6.589 -0.833 -25.611) 26.458 ======================= Grid point 1327 (368/511) ======================= q-point: ( 0.12 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.408 ( 9.284 11.021 27.562) 31.102 4.578 ( 23.196 -2.706 16.630) 28.670 5.595 ( 32.661 4.413 -2.904) 33.086 5.990 ( 17.269 5.915 -9.739) 20.689 6.861 ( 1.195 -3.709 19.755) 20.136 7.649 ( 2.075 -5.763 -15.136) 16.328 9.265 ( -2.717 1.203 10.338) 10.757 9.617 ( -4.741 0.567 -6.411) 7.994 10.450 ( 10.386 -0.531 6.516) 12.272 10.808 ( 12.512 -0.342 -11.461) 16.971 10.986 ( 10.008 -1.388 14.296) 17.506 11.622 ( 2.733 0.053 -10.368) 10.723 12.334 ( -2.931 -0.961 20.462) 20.693 12.686 ( -2.834 -2.442 1.550) 4.050 14.675 ( -11.319 1.566 3.486) 11.947 14.836 ( -12.133 -1.181 -4.972) 13.165 19.431 ( -2.924 -0.871 16.111) 16.397 20.059 ( -5.792 0.820 -12.467) 13.771 29.932 ( -4.617 0.776 69.845) 70.001 30.042 ( 11.881 -0.129 13.725) 18.154 30.702 ( 16.032 0.102 -4.269) 16.591 33.340 ( -2.938 0.738 -77.319) 77.378 83.823 ( -16.388 3.932 33.813) 37.780 85.094 ( -11.831 -1.136 -27.396) 29.864 ======================= Grid point 1328 (369/511) ======================= q-point: ( 0.19 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.588 ( 15.506 10.809 28.064) 33.836 5.031 ( 21.542 -0.627 9.628) 23.604 6.156 ( 24.645 7.281 -2.616) 25.831 6.322 ( 17.500 -0.976 -6.622) 18.736 7.004 ( 13.361 -4.141 18.103) 22.878 7.746 ( 5.639 -3.750 -15.430) 16.851 9.305 ( 7.827 1.509 8.795) 11.870 9.585 ( 2.079 1.328 -5.423) 5.958 10.553 ( 1.972 -1.074 7.517) 7.845 10.918 ( -0.528 -0.899 -11.919) 11.964 11.218 ( 9.014 -3.015 11.418) 14.857 11.788 ( 12.784 -0.178 -6.231) 14.223 12.295 ( -0.096 0.163 19.179) 19.180 12.614 ( -6.002 -3.081 0.911) 6.808 14.429 ( -12.352 2.308 2.510) 12.814 14.583 ( -13.907 -0.830 -5.171) 14.860 19.371 ( -3.689 -0.993 16.564) 16.999 19.924 ( -7.614 0.991 -7.926) 11.035 29.845 ( -3.993 0.853 73.678) 73.791 30.311 ( 15.478 -0.204 14.755) 21.385 31.040 ( 18.702 0.161 -8.930) 20.725 33.270 ( -3.818 0.903 -76.810) 76.910 83.461 ( -18.387 3.742 37.050) 41.530 84.839 ( -14.722 -0.979 -29.338) 32.839 ======================= Grid point 1329 (370/511) ======================= q-point: ( 0.25 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.895 ( 20.790 7.933 25.584) 33.907 5.421 ( 19.569 0.989 4.571) 20.120 6.362 ( 2.657 -1.247 8.720) 9.200 6.709 ( 18.301 -2.603 -5.961) 19.422 7.372 ( 19.753 -1.137 8.545) 21.552 7.897 ( 8.562 0.325 -14.837) 17.133 9.554 ( 18.169 2.121 5.357) 19.061 9.683 ( 8.533 1.767 -2.974) 9.207 10.587 ( 1.757 -0.591 8.382) 8.584 10.878 ( -2.005 -0.930 -6.788) 7.138 11.261 ( -6.822 -4.335 13.234) 15.507 12.001 ( 5.990 -1.647 -12.047) 13.555 12.357 ( 5.966 1.768 13.668) 15.017 12.500 ( -6.165 -2.430 3.597) 7.540 14.215 ( -7.574 2.410 1.817) 8.153 14.342 ( -10.329 -0.201 -4.520) 11.277 19.301 ( -3.992 -0.907 16.779) 17.271 19.760 ( -8.756 0.885 -3.059) 9.318 29.770 ( -3.289 0.705 76.411) 76.485 30.627 ( 16.767 -0.259 15.935) 23.132 31.407 ( 18.961 0.236 -12.556) 22.743 33.187 ( -4.182 0.883 -76.220) 76.340 83.101 ( -16.750 2.578 38.946) 42.473 84.552 ( -14.976 -0.677 -30.736) 34.197 ======================= Grid point 1330 (371/511) ======================= q-point: ( 0.31 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.296 ( 23.146 3.724 21.832) 32.035 5.789 ( 18.976 0.658 0.566) 18.996 6.389 ( -0.452 -6.044 18.040) 19.031 7.004 ( 10.895 -3.994 -8.430) 14.343 7.678 ( 11.158 1.828 5.850) 12.731 8.044 ( 6.733 2.841 -12.999) 14.913 9.803 ( 5.741 2.208 0.643) 6.185 9.972 ( 20.922 1.246 -1.754) 21.033 10.642 ( 4.113 0.397 15.703) 16.238 10.910 ( 5.870 0.600 0.497) 5.921 11.059 ( -13.406 -3.983 10.839) 17.694 11.988 ( -7.255 -2.913 -23.555) 24.818 12.366 ( -4.395 1.074 10.580) 11.506 12.493 ( 2.734 0.174 4.186) 5.003 14.134 ( 0.157 2.089 2.367) 3.161 14.224 ( -1.406 -0.346 -2.423) 2.822 19.229 ( -3.800 -0.682 16.501) 16.947 19.582 ( -9.222 0.539 1.547) 9.366 29.712 ( -2.482 0.442 78.041) 78.082 30.945 ( 15.629 -0.268 17.202) 23.244 31.754 ( 16.735 0.294 -14.999) 22.475 33.103 ( -4.042 0.721 -75.785) 75.896 82.802 ( -13.041 1.192 39.460) 41.576 84.282 ( -12.969 -0.420 -31.330) 33.911 ======================= Grid point 1331 (372/511) ======================= q-point: ( 0.38 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.728 ( 21.779 0.100 17.568) 27.981 6.121 ( 13.094 -2.756 -2.210) 13.562 6.446 ( 4.931 -5.004 23.333) 24.368 7.187 ( 6.622 -3.333 -9.538) 12.081 7.787 ( 2.277 3.837 7.627) 8.836 8.105 ( 0.670 3.426 -10.584) 11.145 9.830 ( -0.759 0.982 6.422) 6.540 10.260 ( 6.410 0.926 -2.455) 6.926 10.643 ( -7.243 -3.380 14.244) 16.334 11.004 ( 10.959 1.519 8.246) 13.799 11.059 ( 8.381 2.070 4.878) 9.915 11.857 ( -4.483 -1.759 -28.569) 28.973 12.241 ( -7.886 0.209 9.652) 12.466 12.485 ( -3.274 0.788 -2.651) 4.286 14.181 ( 4.954 1.572 4.312) 6.753 14.274 ( 4.916 -0.966 -0.449) 5.030 19.166 ( -2.750 -0.376 15.595) 15.841 19.405 ( -8.659 0.127 5.608) 10.317 29.671 ( -1.634 0.200 78.926) 78.943 31.218 ( 12.199 -0.222 18.596) 22.241 32.037 ( 12.396 0.283 -16.518) 20.654 33.027 ( -3.360 0.489 -75.795) 75.871 82.590 ( -8.600 0.199 39.144) 40.078 84.066 ( -9.385 -0.242 -31.277) 32.655 ======================= Grid point 1332 (373/511) ======================= q-point: ( 0.44 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.100 ( 15.369 -0.921 12.701) 19.959 6.273 ( 1.695 -5.724 6.498) 8.824 6.641 ( 10.927 -1.039 16.350) 19.693 7.298 ( 3.773 -0.880 -7.072) 8.064 7.774 ( -0.389 2.398 8.370) 8.715 8.031 ( -6.042 3.212 -7.986) 10.517 9.827 ( 2.127 0.771 12.584) 12.786 10.180 ( -10.930 -0.861 16.583) 19.880 10.617 ( 3.581 -2.102 -11.150) 11.899 11.031 ( -5.094 1.649 -5.458) 7.646 11.370 ( 19.485 2.461 11.544) 22.782 11.864 ( 0.875 -0.642 -11.746) 11.796 12.093 ( -5.148 -0.507 0.113) 5.174 12.382 ( -6.239 0.815 -8.388) 10.486 14.275 ( 4.525 0.725 5.773) 7.371 14.375 ( 4.161 -0.793 0.539) 4.270 19.135 ( -0.358 -0.053 14.042) 14.047 19.256 ( -6.587 -0.147 9.044) 11.190 29.646 ( -0.804 0.058 79.350) 79.354 31.405 ( 6.767 -0.127 19.966) 21.082 32.220 ( 6.575 0.176 -17.340) 18.546 32.973 ( -1.995 0.242 -76.271) 76.297 82.467 ( -4.196 -0.140 38.640) 38.867 83.928 ( -4.892 -0.112 -30.975) 31.359 ======================= Grid point 1333 (374/511) ======================= q-point: (-0.50 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 780 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.275 ( -0.000 -0.000 8.823) 8.823 6.288 ( 0.000 0.000 10.757) 10.757 6.763 ( 0.000 -0.000 14.575) 14.575 7.338 ( 0.000 0.000 -3.885) 3.885 7.784 ( 0.000 -0.000 7.285) 7.285 7.922 ( 0.000 0.000 -7.281) 7.281 9.887 ( 0.000 -0.000 16.148) 16.148 10.022 ( 0.000 0.000 16.673) 16.673 10.690 ( 0.000 -0.000 -10.565) 10.565 10.940 ( 0.000 -0.000 -14.475) 14.475 11.641 ( -0.000 -0.000 7.116) 7.116 11.775 ( 0.000 0.000 12.876) 12.876 12.099 ( 0.000 -0.000 -13.478) 13.478 12.291 ( 0.000 0.000 -12.393) 12.393 14.321 ( 0.000 -0.000 6.193) 6.193 14.420 ( 0.000 0.000 0.847) 0.847 19.160 ( 0.000 0.000 11.948) 11.948 19.162 ( -0.000 -0.000 11.761) 11.761 29.639 ( 0.000 -0.000 79.474) 79.474 31.472 ( 0.000 -0.000 20.608) 20.608 32.284 ( 0.000 -0.000 -17.600) 17.600 32.952 ( 0.000 -0.000 -76.605) 76.605 82.427 ( 0.000 -0.000 38.415) 38.415 83.881 ( 0.000 -0.000 -30.820) 30.820 ======================= Grid point 1343 (375/511) ======================= q-point: ( 0.06 0.06 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.473 ( 7.000 -0.000 27.872) 28.737 4.554 ( 25.211 -0.000 16.679) 30.229 5.618 ( 32.773 -0.000 -2.753) 32.888 6.019 ( 16.128 -0.000 -7.973) 17.991 6.844 ( 1.089 -0.000 18.033) 18.066 7.619 ( 2.748 -0.000 -15.375) 15.619 9.272 ( -2.752 0.000 10.233) 10.597 9.620 ( -4.662 0.000 -6.457) 7.965 10.447 ( 10.206 -0.000 6.492) 12.096 10.806 ( 12.683 -0.000 -12.407) 17.743 10.979 ( 9.607 -0.000 15.219) 17.997 11.623 ( 2.784 -0.000 -10.529) 10.891 12.329 ( -2.709 0.000 20.429) 20.607 12.674 ( -2.780 0.000 1.956) 3.399 14.683 ( -11.255 0.000 3.139) 11.685 14.830 ( -12.016 0.000 -4.670) 12.891 19.427 ( -2.878 0.000 16.208) 16.462 20.063 ( -5.818 0.000 -12.904) 14.155 29.936 ( -4.662 0.000 69.710) 69.866 30.042 ( 11.879 -0.000 13.723) 18.150 30.703 ( 16.034 -0.000 -4.160) 16.565 33.343 ( -2.963 0.000 -77.275) 77.332 83.843 ( -16.729 0.000 33.317) 37.281 85.088 ( -11.705 0.000 -26.614) 29.074 ======================= Grid point 1344 (376/511) ======================= q-point: ( 0.12 0.06 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.667 ( 14.001 4.520 27.973) 31.606 5.020 ( 22.108 -1.005 12.021) 25.185 6.216 ( 26.967 4.039 -4.857) 27.697 6.307 ( 11.487 -1.643 -5.337) 12.772 6.977 ( 14.502 -1.434 17.423) 22.714 7.719 ( 7.300 -1.493 -15.769) 17.440 9.316 ( 7.827 0.603 8.821) 11.808 9.593 ( 2.219 0.435 -5.604) 6.043 10.546 ( 2.073 -0.366 7.459) 7.750 10.912 ( -0.700 -0.322 -12.788) 12.811 11.198 ( 8.779 -1.083 12.582) 15.381 11.787 ( 12.471 -0.070 -6.969) 14.286 12.297 ( 0.512 0.064 18.924) 18.932 12.593 ( -5.742 -1.068 1.980) 6.166 14.445 ( -12.341 0.938 1.909) 12.523 14.576 ( -13.683 -0.430 -4.624) 14.450 19.364 ( -3.588 -0.345 16.697) 17.081 19.930 ( -7.703 0.348 -8.615) 11.562 29.851 ( -4.096 0.299 73.589) 73.704 30.309 ( 15.475 -0.072 14.778) 21.398 31.041 ( 18.709 0.058 -8.886) 20.712 33.276 ( -3.886 0.316 -76.761) 76.860 83.486 ( -19.046 1.330 36.465) 41.161 84.832 ( -14.529 -0.362 -28.353) 31.861 ======================= Grid point 1345 (377/511) ======================= q-point: ( 0.19 0.06 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.961 ( 18.679 5.011 25.621) 32.100 5.423 ( 19.708 -0.408 7.705) 21.165 6.357 ( -0.318 0.045 6.660) 6.668 6.685 ( 17.941 -1.901 -7.543) 19.555 7.364 ( 21.085 -0.577 9.139) 22.988 7.899 ( 10.042 0.117 -14.978) 18.033 9.571 ( 18.564 1.295 5.605) 19.435 9.696 ( 8.106 0.880 -3.466) 8.860 10.583 ( 2.214 -0.292 8.325) 8.620 10.871 ( -1.634 -0.497 -7.018) 7.222 11.228 ( -6.769 -2.398 14.063) 15.790 11.988 ( 5.318 -0.968 -13.256) 14.316 12.371 ( 6.535 1.145 13.056) 14.645 12.480 ( -5.646 -1.460 5.508) 8.022 14.235 ( -7.867 1.491 1.209) 8.098 14.339 ( -10.139 -0.304 -3.943) 10.883 19.294 ( -3.853 -0.485 16.883) 17.324 19.767 ( -8.923 0.478 -3.783) 9.704 29.776 ( -3.436 0.381 76.392) 76.470 30.625 ( 16.773 -0.140 15.985) 23.171 31.409 ( 18.972 0.129 -12.579) 22.764 33.194 ( -4.292 0.476 -76.192) 76.314 83.121 ( -17.507 1.408 38.502) 42.319 84.547 ( -14.806 -0.383 -29.972) 33.432 ======================= Grid point 1346 (378/511) ======================= q-point: ( 0.25 0.06 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.329 ( 21.069 2.793 21.577) 30.287 5.793 ( 18.424 0.116 2.454) 18.587 6.341 ( -1.109 -3.690 16.625) 17.066 6.969 ( 10.890 -2.952 -9.697) 14.877 7.695 ( 12.343 1.361 6.283) 13.916 8.066 ( 6.969 1.679 -12.911) 14.767 9.822 ( 4.845 1.675 -0.128) 5.128 9.982 ( 21.104 0.809 -1.756) 21.193 10.646 ( 4.064 0.315 16.366) 16.866 10.915 ( 6.605 0.325 0.881) 6.672 11.025 ( -12.292 -2.737 11.200) 16.853 11.963 ( -7.032 -1.975 -23.672) 24.773 12.375 ( -4.712 0.816 10.337) 11.390 12.494 ( 3.240 -0.002 4.549) 5.585 14.151 ( -0.074 1.431 1.854) 2.343 14.221 ( -1.693 -0.262 -1.960) 2.604 19.223 ( -3.644 -0.451 16.534) 16.937 19.586 ( -9.432 0.359 0.969) 9.488 29.715 ( -2.624 0.295 78.066) 78.111 30.943 ( 15.652 -0.179 17.271) 23.309 31.756 ( 16.732 0.198 -15.054) 22.508 33.109 ( -4.173 0.480 -75.781) 75.897 82.812 ( -13.654 0.803 39.208) 41.526 84.279 ( -12.853 -0.289 -30.940) 33.505 ======================= Grid point 1347 (379/511) ======================= q-point: ( 0.31 0.06 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.729 ( 20.616 0.234 16.670) 26.513 6.096 ( 10.502 -2.298 -1.929) 10.922 6.403 ( 7.362 -3.586 23.545) 24.928 7.158 ( 7.587 -2.605 -10.257) 13.021 7.822 ( 2.490 3.106 7.828) 8.782 8.132 ( 0.494 2.185 -10.477) 10.714 9.840 ( -0.917 1.109 5.720) 5.898 10.269 ( 5.998 0.891 -2.649) 6.617 10.611 ( -8.150 -2.907 14.438) 16.833 11.020 ( 13.116 1.769 9.408) 16.238 11.073 ( 7.802 0.784 5.316) 9.473 11.842 ( -3.493 -1.225 -28.252) 28.494 12.244 ( -8.385 0.271 9.255) 12.492 12.491 ( -3.208 0.414 -2.732) 4.234 14.195 ( 4.580 1.350 3.750) 6.071 14.265 ( 4.798 -0.856 0.001) 4.873 19.163 ( -2.586 -0.284 15.547) 15.764 19.406 ( -8.834 0.095 5.273) 10.289 29.672 ( -1.731 0.153 78.964) 78.984 31.216 ( 12.240 -0.170 18.661) 22.317 32.039 ( 12.360 0.218 -16.574) 20.676 33.032 ( -3.490 0.373 -75.801) 75.882 82.592 ( -8.914 0.155 39.043) 40.048 84.064 ( -9.309 -0.189 -31.188) 32.548 ======================= Grid point 1348 (380/511) ======================= q-point: ( 0.38 0.06 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.093 ( 15.958 -0.391 11.426) 19.631 6.220 ( 2.484 -4.954 7.021) 8.944 6.630 ( 11.563 -1.088 16.549) 20.218 7.288 ( 4.779 -1.037 -7.936) 9.322 7.799 ( -1.756 2.547 9.281) 9.783 8.058 ( -6.623 2.280 -8.105) 10.712 9.837 ( 2.319 1.219 12.043) 12.324 10.170 ( -11.578 -1.100 17.659) 21.145 10.601 ( 4.817 -1.269 -11.901) 12.902 11.042 ( -5.909 0.751 -5.134) 7.863 11.392 ( 19.289 1.906 11.770) 22.676 11.859 ( 0.625 -0.241 -10.514) 10.535 12.089 ( -4.803 -0.261 -0.663) 4.856 12.388 ( -6.554 0.421 -8.681) 10.886 14.282 ( 4.101 0.671 5.427) 6.836 14.367 ( 4.478 -0.695 0.809) 4.603 19.135 ( -0.217 -0.044 13.944) 13.946 19.254 ( -6.658 -0.126 8.949) 11.154 29.647 ( -0.848 0.049 79.376) 79.381 31.404 ( 6.824 -0.109 20.003) 21.135 32.222 ( 6.500 0.151 -17.375) 18.551 32.975 ( -2.116 0.204 -76.275) 76.304 82.466 ( -4.211 -0.118 38.617) 38.846 83.927 ( -4.833 -0.097 -31.005) 31.379 ======================= Grid point 1349 (381/511) ======================= q-point: ( 0.44 0.06 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.246 ( -1.063 -3.226 11.177) 11.682 6.321 ( 5.886 3.940 8.057) 10.728 6.757 ( -0.112 -1.072 14.956) 14.994 7.337 ( -0.089 -0.043 -3.905) 3.906 7.786 ( 0.054 0.363 7.191) 7.201 7.921 ( -3.059 -0.101 -7.216) 7.838 9.892 ( -1.122 0.973 16.239) 16.306 10.018 ( 1.457 -0.792 16.615) 16.698 10.696 ( 1.835 1.178 -10.634) 10.856 10.933 ( -1.754 -1.341 -14.401) 14.570 11.638 ( -4.362 -0.359 7.708) 8.864 11.776 ( 3.380 0.059 12.066) 12.531 12.105 ( 0.511 1.202 -13.299) 13.363 12.287 ( -0.879 -0.846 -12.381) 12.441 14.321 ( -0.347 -0.041 6.194) 6.204 14.420 ( 0.473 0.074 0.848) 0.973 19.159 ( -2.822 -0.131 11.948) 12.277 19.163 ( 2.938 0.132 11.762) 12.124 29.639 ( -0.021 -0.000 79.474) 79.474 31.472 ( 0.065 -0.002 20.608) 20.608 32.284 ( -0.093 0.002 -17.600) 17.600 32.952 ( -0.120 -0.001 -76.605) 76.605 82.427 ( 0.115 0.000 38.415) 38.415 83.881 ( 0.054 -0.000 -30.820) 30.820 ======================= Grid point 1350 (382/511) ======================= q-point: (-0.50 0.06 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.110 ( -14.419 1.156 13.980) 20.117 6.331 ( -1.422 6.079 5.713) 8.462 6.649 ( -9.702 0.552 16.469) 19.122 7.304 ( -2.753 0.321 -5.459) 6.122 7.756 ( -1.072 -1.264 6.430) 6.640 7.995 ( 5.174 -4.072 -7.588) 10.046 9.823 ( -1.984 -0.076 12.975) 13.126 10.187 ( 10.424 0.453 15.774) 18.913 10.642 ( -2.576 2.856 -10.708) 11.378 11.010 ( 4.543 -2.580 -5.771) 7.785 11.345 ( -19.763 -2.614 11.599) 23.064 11.871 ( -1.050 0.593 -13.063) 13.118 12.101 ( 5.339 1.299 0.684) 5.537 12.371 ( 5.941 -1.405 -7.950) 10.023 14.268 ( -4.902 -0.669 6.127) 7.875 14.383 ( -3.894 0.781 0.260) 3.980 19.136 ( 0.512 0.056 14.148) 14.157 19.257 ( 6.510 0.146 9.148) 11.229 29.646 ( 0.756 -0.059 79.320) 79.324 31.406 ( -6.705 0.125 19.926) 21.024 32.219 ( -6.655 -0.174 -17.303) 18.539 32.970 ( 1.863 -0.243 -76.267) 76.290 82.468 ( 4.180 0.142 38.664) 38.890 83.929 ( 4.953 0.110 -30.941) 31.336 ======================= Grid point 1351 (383/511) ======================= q-point: (-0.44 0.06 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.728 ( -23.242 0.095 18.517) 29.717 6.148 ( -15.749 2.746 -2.462) 16.175 6.500 ( -2.236 5.921 23.071) 23.923 7.221 ( -5.528 3.251 -7.998) 10.252 7.750 ( -2.065 -3.481 6.587) 7.731 8.065 ( -0.903 -4.674 -10.484) 11.514 9.822 ( 0.462 -0.517 6.974) 7.008 10.252 ( -6.808 -0.681 -2.133) 7.167 10.675 ( 5.497 3.017 14.079) 15.412 10.993 ( -8.292 -0.646 6.820) 10.756 11.032 ( -8.352 -3.333 4.468) 10.041 11.876 ( 5.439 1.865 -28.861) 29.428 12.241 ( 7.390 0.273 9.919) 12.372 12.475 ( 3.319 -1.332 -2.442) 4.330 14.165 ( -5.437 -1.581 4.953) 7.523 14.283 ( -5.019 0.974 -0.964) 5.203 19.170 ( 2.946 0.412 15.650) 15.930 19.404 ( 8.451 -0.141 6.006) 10.369 29.668 ( 1.520 -0.216 78.880) 78.895 31.221 ( -12.150 0.239 18.520) 22.151 32.034 ( -12.440 -0.304 -16.452) 20.628 33.022 ( 3.205 -0.531 -75.788) 75.857 82.588 ( 8.232 -0.211 39.261) 40.115 84.068 ( 9.472 0.256 -31.378) 32.778 ======================= Grid point 1352 (384/511) ======================= q-point: (-0.38 0.06 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.258 ( -25.475 -3.889 22.109) 33.955 5.780 ( -20.332 -1.184 -1.212) 20.402 6.458 ( 0.137 7.871 19.203) 20.754 7.043 ( -11.378 3.872 -6.274) 13.558 7.661 ( -9.518 -1.610 4.768) 10.766 8.010 ( -6.297 -3.970 -12.951) 14.937 9.780 ( -6.794 -2.264 1.388) 7.295 9.959 ( -20.949 -1.436 -1.745) 21.071 10.638 ( -3.914 -0.319 14.994) 15.500 10.902 ( -4.745 -1.064 -0.106) 4.864 11.102 ( 14.599 4.727 10.501) 18.594 12.019 ( 7.436 3.253 -23.313) 24.685 12.356 ( 4.019 -0.903 10.760) 11.522 12.490 ( -2.035 -0.529 3.717) 4.271 14.111 ( -0.429 -2.432 3.023) 3.904 14.228 ( 0.980 0.387 -3.000) 3.180 19.236 ( 4.010 0.817 16.452) 16.953 19.576 ( 8.948 -0.641 2.307) 9.262 29.707 ( 2.296 -0.521 78.008) 78.044 30.948 ( -15.599 0.316 17.112) 23.157 31.751 ( -16.738 -0.344 -14.927) 22.430 33.095 ( 3.869 -0.855 -75.791) 75.894 82.789 ( 12.247 -1.393 39.782) 41.647 84.287 ( 13.111 0.477 -31.831) 34.429 ======================= Grid point 1353 (385/511) ======================= q-point: (-0.31 0.06 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.812 ( -23.342 -8.829 25.411) 35.616 5.400 ( -20.116 -3.302 0.835) 20.402 6.385 ( -6.555 3.351 11.022) 13.254 6.733 ( -19.032 2.166 -3.679) 19.505 7.386 ( -17.968 1.617 7.636) 19.590 7.892 ( -6.401 -0.642 -14.513) 15.875 9.531 ( -17.631 -2.285 5.017) 18.472 9.662 ( -9.087 -2.543 -2.371) 9.729 10.594 ( -1.128 0.854 8.528) 8.644 10.889 ( 2.582 1.171 -6.814) 7.380 11.311 ( 6.944 5.606 12.321) 15.214 12.018 ( -6.993 1.830 -10.141) 12.454 12.338 ( -5.605 -2.018 14.316) 15.506 12.527 ( 7.442 3.051 0.941) 8.098 14.189 ( 7.316 -2.767 2.525) 8.219 14.342 ( 10.413 -0.153 -5.197) 11.638 19.312 ( 4.205 1.208 16.613) 17.180 19.750 ( 8.506 -1.160 -1.968) 8.808 29.762 ( 3.069 -0.924 76.439) 76.506 30.630 ( -16.757 0.338 15.859) 23.074 31.404 ( -18.942 -0.304 -12.522) 22.709 33.177 ( 4.016 -1.161 -76.261) 76.375 83.072 ( 15.639 -3.325 39.592) 42.699 84.560 ( 15.205 0.831 -31.857) 35.310 ======================= Grid point 1354 (386/511) ======================= q-point: (-0.25 0.06 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.466 ( -17.590 -13.414 28.016) 35.696 5.023 ( -21.023 -2.344 5.486) 21.853 6.082 ( -26.282 -7.558 0.261) 27.348 6.325 ( -22.466 -0.399 -7.263) 23.614 7.056 ( -11.068 6.124 18.876) 22.722 7.788 ( -3.268 4.435 -14.835) 15.825 9.289 ( -7.725 -1.692 8.670) 11.735 9.567 ( -1.840 -2.187 -5.038) 5.793 10.566 ( -1.763 1.637 7.629) 7.999 10.929 ( 0.177 1.317 -10.889) 10.970 11.255 ( -9.507 4.356 9.810) 14.338 11.790 ( -13.283 0.202 -4.910) 14.163 12.293 ( 1.185 -0.218 19.654) 19.691 12.653 ( 6.543 4.740 -0.965) 8.137 14.403 ( 12.380 -2.878 3.374) 13.151 14.590 ( 14.285 0.576 -5.971) 15.493 19.384 ( 3.882 1.521 16.307) 16.832 19.911 ( 7.450 -1.487 -6.644) 10.092 29.834 ( 3.799 -1.283 73.838) 73.947 30.313 ( -15.486 0.304 14.711) 21.362 31.038 ( -18.686 -0.234 -9.008) 20.745 33.258 ( 3.690 -1.361 -76.898) 76.999 83.415 ( 17.209 -5.489 38.089) 42.155 84.851 ( 15.035 1.338 -31.111) 34.579 ======================= Grid point 1355 (387/511) ======================= q-point: (-0.19 0.06 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.275 ( -9.733 -15.504 28.607) 33.963 4.593 ( -23.379 0.380 14.129) 27.320 5.537 ( -32.004 -7.310 -3.106) 32.975 5.904 ( -21.050 -11.041 -12.538) 26.875 6.919 ( -1.011 7.907 22.709) 24.067 7.721 ( -0.662 8.147 -14.535) 16.675 9.251 ( 2.672 -1.624 10.546) 10.999 9.608 ( 4.963 -1.217 -6.211) 8.043 10.458 ( -10.837 1.164 6.534) 12.708 10.812 ( -12.219 0.304 -9.177) 15.285 11.005 ( -11.024 2.491 12.149) 16.593 11.622 ( -2.575 -0.001 -9.950) 10.278 12.347 ( 3.559 1.757 20.596) 20.975 12.721 ( 3.015 4.700 0.417) 5.599 14.655 ( 11.468 -2.446 4.334) 12.501 14.851 ( 12.479 1.609 -5.717) 13.820 19.444 ( 3.057 1.647 15.825) 16.201 20.047 ( 5.717 -1.520 -11.213) 12.678 29.921 ( 4.487 -1.446 70.225) 70.383 30.044 ( -11.891 0.235 13.724) 18.161 30.701 ( -16.023 -0.177 -4.571) 16.663 33.329 ( 2.864 -1.376 -77.441) 77.506 83.768 ( 15.461 -7.069 35.163) 39.057 85.109 ( 12.147 1.885 -29.559) 32.013 ======================= Grid point 1356 (388/511) ======================= q-point: (-0.12 0.06 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.098 ( -16.794 -1.582 21.629) 27.429 4.332 ( -0.254 -11.878 28.017) 30.433 4.985 ( -26.310 -4.791 -3.766) 27.007 5.676 ( -9.414 -13.894 -12.561) 20.963 6.891 ( 0.911 5.895 20.432) 21.285 7.674 ( 0.178 9.439 -14.307) 17.141 9.395 ( 10.994 -1.686 11.500) 15.999 9.760 ( 9.807 -0.526 -5.176) 11.101 10.134 ( -19.898 -0.119 5.769) 20.717 10.490 ( -18.235 0.821 -10.783) 21.201 10.896 ( -0.965 0.564 17.833) 17.868 11.643 ( 2.780 0.181 -16.148) 16.386 12.390 ( 1.777 2.303 20.239) 20.447 12.732 ( 0.600 3.878 2.224) 4.510 14.844 ( 6.570 -1.834 4.868) 8.380 15.034 ( 7.034 2.105 -5.234) 9.017 19.482 ( 1.699 1.492 15.466) 15.631 20.141 ( 3.167 -1.294 -14.824) 15.214 29.864 ( -6.458 0.157 12.990) 14.508 30.021 ( 4.967 -1.380 68.518) 68.712 30.434 ( -11.251 -0.078 -2.255) 11.475 33.379 ( 1.578 -1.187 -77.752) 77.777 84.051 ( 9.449 -7.212 31.743) 33.895 85.285 ( 6.766 2.150 -27.594) 28.493 ======================= Grid point 1357 (389/511) ======================= q-point: (-0.06 0.06 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.912 ( -0.000 0.395 23.334) 23.338 4.474 ( 0.000 -13.380 39.004) 41.235 4.669 ( 0.000 -0.575 -13.622) 13.634 5.649 ( 0.000 -9.893 -10.610) 14.507 6.880 ( -0.000 3.256 17.786) 18.081 7.633 ( -0.000 7.989 -14.340) 16.415 9.606 ( 0.000 -1.812 14.555) 14.667 9.838 ( 0.000 -0.180 2.817) 2.822 9.916 ( 0.000 -0.106 -1.273) 1.278 10.244 ( -0.000 0.687 -14.346) 14.362 10.893 ( -0.000 0.202 18.584) 18.585 11.676 ( -0.000 0.125 -18.093) 18.094 12.396 ( -0.000 1.795 20.060) 20.140 12.719 ( -0.000 2.681 3.246) 4.210 14.916 ( 0.000 -1.285 4.821) 4.989 15.093 ( -0.000 1.767 -4.862) 5.173 19.493 ( -0.000 1.070 15.417) 15.454 20.178 ( 0.000 -0.909 -16.530) 16.555 29.800 ( -0.000 0.101 12.722) 12.723 30.096 ( 0.000 -1.194 77.514) 77.524 30.304 ( -0.000 0.143 -11.062) 11.063 33.400 ( 0.000 -0.839 -77.806) 77.811 84.178 ( 0.000 -5.506 29.697) 30.203 85.342 ( -0.000 1.765 -25.999) 26.059 ======================= Grid point 1360 (390/511) ======================= q-point: ( 0.12 0.12 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.987 ( 17.793 -0.000 25.613) 31.187 5.419 ( 19.918 -0.000 8.926) 21.826 6.358 ( -1.504 0.000 5.865) 6.055 6.675 ( 17.914 -0.000 -8.129) 19.672 7.361 ( 21.579 -0.000 9.344) 23.515 7.900 ( 10.568 -0.000 -15.012) 18.359 9.577 ( 18.720 -0.000 5.707) 19.571 9.701 ( 7.937 -0.000 -3.666) 8.743 10.582 ( 2.380 -0.000 8.317) 8.651 10.869 ( -1.502 0.000 -7.170) 7.326 11.216 ( -6.757 0.000 14.417) 15.922 11.983 ( 5.084 -0.000 -13.667) 14.582 12.377 ( 6.904 -0.000 12.775) 14.522 12.473 ( -5.637 0.000 6.235) 8.406 14.242 ( -8.006 0.000 0.954) 8.063 14.337 ( -10.033 0.000 -3.701) 10.694 19.292 ( -3.806 0.000 16.919) 17.341 19.769 ( -8.982 0.000 -4.037) 9.847 29.778 ( -3.487 0.000 76.385) 76.465 30.624 ( 16.775 -0.000 16.003) 23.184 31.409 ( 18.976 -0.000 -12.587) 22.772 33.196 ( -4.330 0.000 -76.182) 76.305 83.128 ( -17.776 0.000 38.343) 42.263 84.545 ( -14.742 0.000 -29.701) 33.159 ======================= Grid point 1361 (391/511) ======================= q-point: ( 0.19 0.12 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.348 ( 19.781 1.056 21.414) 29.171 5.793 ( 18.410 -0.052 3.738) 18.786 6.317 ( -1.684 -1.218 15.611) 15.749 6.948 ( 11.034 -1.086 -10.280) 15.120 7.704 ( 12.952 0.497 6.408) 14.459 8.077 ( 7.069 0.552 -12.817) 14.648 9.834 ( 4.297 0.636 -0.644) 4.391 9.988 ( 21.305 0.272 -1.736) 21.378 10.648 ( 3.941 0.117 16.789) 17.246 10.917 ( 7.052 0.131 0.885) 7.108 11.006 ( -11.686 -1.008 11.594) 16.492 11.950 ( -6.879 -0.694 -23.735) 24.722 12.381 ( -4.915 0.302 10.192) 11.319 12.493 ( 3.525 -0.022 4.748) 5.913 14.161 ( -0.214 0.516 1.566) 1.662 14.219 ( -1.829 -0.105 -1.696) 2.496 19.220 ( -3.560 -0.157 16.550) 16.929 19.588 ( -9.545 0.126 0.656) 9.569 29.717 ( -2.701 0.104 78.080) 78.126 30.942 ( 15.665 -0.063 17.309) 23.345 31.758 ( 16.730 0.070 -15.084) 22.526 33.112 ( -4.244 0.168 -75.778) 75.897 82.818 ( -13.988 0.283 39.071) 41.500 84.277 ( -12.787 -0.103 -30.727) 33.282 ======================= Grid point 1362 (392/511) ======================= q-point: ( 0.25 0.12 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.732 ( 19.909 0.198 16.011) 25.549 6.077 ( 8.556 -1.330 -1.683) 8.821 6.376 ( 9.086 -1.862 23.671) 25.423 7.138 ( 8.240 -1.407 -10.557) 13.466 7.846 ( 2.648 1.711 7.751) 8.367 8.148 ( 0.385 1.047 -10.326) 10.386 9.850 ( -0.983 0.742 5.106) 5.252 10.276 ( 5.677 0.544 -2.692) 6.306 10.588 ( -8.507 -1.676 14.579) 16.963 11.036 ( 15.088 1.297 10.390) 18.365 11.076 ( 6.575 -0.021 5.413) 8.517 11.833 ( -2.726 -0.589 -28.061) 28.199 12.246 ( -8.772 0.151 8.985) 12.558 12.494 ( -3.145 0.175 -2.753) 4.183 14.206 ( 4.354 0.855 3.366) 5.569 14.258 ( 4.696 -0.577 0.309) 4.742 19.161 ( -2.477 -0.153 15.514) 15.711 19.407 ( -8.951 0.051 5.049) 10.277 29.673 ( -1.796 0.083 78.990) 79.010 31.215 ( 12.267 -0.092 18.704) 22.368 32.041 ( 12.335 0.118 -16.611) 20.690 33.035 ( -3.577 0.201 -75.805) 75.890 82.593 ( -9.125 0.085 38.975) 40.029 84.062 ( -9.257 -0.104 -31.127) 32.474 ======================= Grid point 1363 (393/511) ======================= q-point: ( 0.31 0.12 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.093 ( 16.369 0.300 10.288) 19.336 6.176 ( 3.232 -3.770 7.477) 8.976 6.621 ( 11.822 -0.789 16.810) 20.566 7.279 ( 5.508 -0.795 -8.306) 9.998 7.822 ( -2.748 1.865 9.585) 10.144 8.076 ( -6.945 1.352 -8.098) 10.753 9.849 ( 2.545 1.143 11.461) 11.796 10.160 ( -12.195 -0.985 18.728) 22.371 10.592 ( 5.926 -0.553 -12.688) 14.015 11.046 ( -6.733 0.069 -4.796) 8.266 11.408 ( 19.285 1.325 12.088) 22.799 11.858 ( 0.139 -0.073 -9.662) 9.663 12.087 ( -4.266 -0.110 -1.312) 4.465 12.391 ( -6.853 0.178 -8.861) 11.203 14.288 ( 3.692 0.488 5.147) 6.353 14.361 ( 4.801 -0.487 1.028) 4.934 19.134 ( -0.109 -0.028 13.869) 13.869 19.253 ( -6.711 -0.085 8.877) 11.128 29.647 ( -0.881 0.033 79.397) 79.402 31.403 ( 6.867 -0.073 20.031) 21.175 32.223 ( 6.443 0.102 -17.400) 18.555 32.977 ( -2.209 0.136 -76.278) 76.310 82.465 ( -4.223 -0.078 38.598) 38.829 83.926 ( -4.788 -0.065 -31.027) 31.394 ======================= Grid point 1364 (394/511) ======================= q-point: ( 0.38 0.12 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.218 ( 0.637 -2.354 12.437) 12.674 6.358 ( 8.605 3.465 5.842) 10.963 6.743 ( -0.604 -1.607 15.991) 16.083 7.337 ( -0.100 -0.067 -3.951) 3.953 7.790 ( 0.259 0.524 6.967) 6.991 7.920 ( -5.814 -0.158 -7.058) 9.146 9.906 ( -2.508 1.751 16.517) 16.798 10.007 ( 3.118 -1.509 16.408) 16.769 10.712 ( 4.010 2.153 -10.833) 11.750 10.914 ( -3.880 -2.476 -14.106) 14.838 11.639 ( -7.749 0.670 8.650) 11.633 11.771 ( 5.664 -1.335 10.360) 11.883 12.123 ( 1.818 2.581 -12.659) 13.046 12.275 ( -2.200 -1.731 -12.397) 12.709 14.320 ( -0.627 -0.056 6.197) 6.229 14.421 ( 0.861 0.103 0.848) 1.213 19.158 ( -3.009 -0.109 11.981) 12.354 19.164 ( 3.223 0.110 11.730) 12.165 29.639 ( -0.039 -0.001 79.474) 79.474 31.472 ( 0.121 -0.003 20.608) 20.608 32.284 ( -0.172 0.003 -17.599) 17.600 32.952 ( -0.221 -0.002 -76.606) 76.606 82.427 ( 0.213 0.000 38.415) 38.416 83.881 ( 0.100 -0.001 -30.819) 30.820 ======================= Grid point 1365 (395/511) ======================= q-point: (-0.56 0.12 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.122 ( -13.301 1.090 15.118) 20.166 6.390 ( -1.871 5.883 4.365) 7.561 6.651 ( -7.774 -0.297 17.269) 18.940 7.304 ( -2.136 -0.335 -3.202) 3.863 7.752 ( -2.152 0.576 3.356) 4.028 7.952 ( 4.072 -4.714 -6.715) 9.159 9.825 ( -1.903 0.511 13.184) 13.330 10.189 ( 10.177 0.036 15.316) 18.389 10.673 ( -2.125 3.436 -10.755) 11.489 10.980 ( 4.327 -3.572 -5.719) 8.011 11.322 ( -19.982 -1.883 11.706) 23.234 11.873 ( -0.948 -0.245 -13.725) 13.760 12.120 ( 5.187 2.677 0.361) 5.849 12.354 ( 5.724 -2.122 -7.336) 9.544 14.263 ( -5.203 -0.529 6.437) 8.294 14.390 ( -3.687 0.660 0.012) 3.746 19.136 ( 0.655 0.049 14.245) 14.260 19.258 ( 6.438 0.122 9.244) 11.266 29.645 ( 0.712 -0.050 79.293) 79.296 31.408 ( -6.648 0.105 19.889) 20.971 32.217 ( -6.730 -0.145 -17.267) 18.533 32.968 ( 1.742 -0.208 -76.264) 76.284 82.470 ( 4.167 0.121 38.686) 38.910 83.930 ( 5.009 0.092 -30.910) 31.313 ======================= Grid point 1366 (396/511) ======================= q-point: (-0.50 0.12 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.729 ( -24.758 0.237 19.370) 31.436 6.174 ( -18.063 2.370 -2.672) 18.412 6.560 ( 0.391 6.109 22.807) 23.614 7.248 ( -4.556 2.095 -5.127) 7.171 7.724 ( -1.865 -1.670 3.980) 4.702 8.014 ( -1.188 -5.739 -10.013) 11.602 9.820 ( 0.012 -0.007 7.278) 7.278 10.247 ( -7.095 -0.304 -1.783) 7.322 10.700 ( 2.930 2.124 13.933) 14.396 10.988 ( -5.719 -1.638 4.217) 7.292 10.999 ( -7.270 -1.953 5.380) 9.253 11.892 ( 6.242 1.361 -28.728) 29.430 12.248 ( 6.945 1.250 9.533) 11.861 12.459 ( 3.345 -1.984 -2.031) 4.388 14.150 ( -5.954 -1.393 5.576) 8.275 14.293 ( -5.096 0.878 -1.469) 5.376 19.174 ( 3.145 0.387 15.701) 16.017 19.403 ( 8.242 -0.134 6.405) 10.439 29.666 ( 1.405 -0.200 78.834) 78.847 31.223 ( -12.101 0.221 18.444) 22.061 32.031 ( -12.483 -0.279 -16.385) 20.600 33.017 ( 3.050 -0.493 -75.781) 75.844 82.586 ( 7.866 -0.191 39.375) 40.153 84.071 ( 9.556 0.231 -31.477) 32.896 ======================= Grid point 1367 (397/511) ======================= q-point: (-0.44 0.12 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.221 ( -27.693 -3.492 22.370) 35.770 5.767 ( -22.226 -1.394 -2.573) 22.418 6.541 ( 0.255 8.845 19.840) 21.724 7.075 ( -12.426 2.469 -3.039) 13.029 7.650 ( -7.757 -0.470 2.683) 8.221 7.966 ( -5.567 -4.936 -12.674) 14.697 9.759 ( -7.863 -2.002 1.956) 8.346 9.945 ( -21.242 -1.331 -1.788) 21.359 10.636 ( -3.475 -0.111 14.349) 14.764 10.889 ( -3.269 -1.515 -0.624) 3.657 11.150 ( 15.613 4.853 10.085) 19.210 12.049 ( 7.490 2.811 -22.649) 24.020 12.350 ( 3.538 -0.159 10.492) 11.074 12.482 ( -1.103 -1.031 3.224) 3.560 14.087 ( -0.710 -2.423 3.735) 4.508 14.231 ( 0.479 0.387 -3.608) 3.660 19.244 ( 4.243 0.832 16.389) 16.949 19.569 ( 8.650 -0.648 3.135) 9.224 29.702 ( 2.093 -0.521 77.971) 78.001 30.951 ( -15.566 0.316 17.014) 23.063 31.747 ( -16.740 -0.341 -14.850) 22.380 33.087 ( 3.680 -0.860 -75.795) 75.889 82.776 ( 11.397 -1.380 40.123) 41.733 84.291 ( 13.253 0.458 -32.363) 34.974 ======================= Grid point 1368 (398/511) ======================= q-point: (-0.38 0.12 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.726 ( -25.872 -8.351 25.096) 36.999 5.358 ( -21.465 -4.970 -2.305) 22.153 6.427 ( -10.923 5.071 12.490) 17.350 6.749 ( -19.572 1.126 -0.962) 19.628 7.403 ( -16.187 1.913 6.555) 17.568 7.884 ( -3.945 -0.983 -13.957) 14.537 9.511 ( -16.958 -1.844 4.552) 17.655 9.634 ( -9.706 -3.074 -1.750) 10.330 10.604 ( -0.493 1.007 8.745) 8.817 10.900 ( 3.328 1.151 -7.139) 7.960 11.369 ( 7.153 6.165 11.501) 14.881 12.035 ( -8.118 1.479 -7.763) 11.329 12.318 ( -5.493 -2.022 14.866) 15.977 12.559 ( 9.204 3.370 -2.034) 10.010 14.162 ( 7.202 -2.692 3.162) 8.313 14.339 ( 10.289 -0.513 -5.827) 11.836 19.324 ( 4.468 1.341 16.400) 17.051 19.738 ( 8.210 -1.264 -0.668) 8.334 29.753 ( 2.806 -1.004 76.468) 76.526 30.634 ( -16.747 0.366 15.769) 23.005 31.401 ( -18.918 -0.323 -12.481) 22.667 33.165 ( 3.817 -1.266 -76.307) 76.412 83.038 ( 14.358 -3.548 40.330) 42.956 84.568 ( 15.440 0.834 -33.146) 36.575 ======================= Grid point 1369 (399/511) ======================= q-point: (-0.31 0.12 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.332 ( -19.901 -13.593 27.580) 36.626 4.983 ( -20.724 -5.784 0.769) 21.530 6.013 ( -29.885 -6.153 3.540) 30.717 6.317 ( -26.616 -1.110 -7.306) 27.623 7.121 ( -8.251 6.926 19.282) 22.088 7.829 ( -1.153 3.696 -14.033) 14.557 9.275 ( -7.383 -1.094 8.327) 11.182 9.542 ( -1.541 -2.857 -4.463) 5.519 10.584 ( -1.476 1.893 7.796) 8.157 10.943 ( -0.286 1.536 -10.351) 10.469 11.301 ( -10.330 4.974 8.466) 14.252 11.792 ( -13.763 0.131 -3.284) 14.150 12.291 ( 2.575 -0.262 20.315) 20.479 12.705 ( 7.345 5.810 -3.222) 9.904 14.374 ( 12.413 -2.867 4.178) 13.407 14.593 ( 14.724 0.007 -6.772) 16.206 19.400 ( 4.150 1.853 15.945) 16.580 19.895 ( 7.233 -1.766 -4.946) 8.939 29.820 ( 3.541 -1.525 74.040) 74.140 30.317 ( -15.496 0.358 14.653) 21.330 31.036 ( -18.662 -0.265 -9.105) 20.766 33.243 ( 3.518 -1.621 -77.009) 77.107 83.356 ( 15.737 -6.326 39.376) 42.874 84.864 ( 15.371 1.404 -33.342) 36.742 ======================= Grid point 1370 (400/511) ======================= q-point: (-0.25 0.12 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.111 ( -10.671 -17.494 29.027) 35.531 4.584 ( -22.922 -2.220 10.447) 25.288 5.453 ( -30.762 -9.654 -2.729) 32.357 5.788 ( -27.245 -11.783 -13.434) 32.582 7.010 ( -0.319 10.117 24.316) 26.339 7.799 ( 0.604 7.240 -13.701) 15.508 9.237 ( 2.771 -0.911 10.577) 10.972 9.593 ( 5.298 -1.838 -5.771) 8.047 10.473 ( -11.339 1.779 6.464) 13.173 10.814 ( -12.264 0.006 -6.856) 14.050 11.033 ( -12.253 2.934 10.214) 16.219 11.623 ( -2.314 0.188 -9.430) 9.712 12.367 ( 4.482 2.245 20.899) 21.492 12.777 ( 3.356 6.515 -1.209) 7.427 14.629 ( 11.619 -2.742 5.316) 13.068 14.866 ( 13.012 1.391 -6.626) 14.668 19.463 ( 3.269 2.233 15.365) 15.867 20.030 ( 5.600 -2.002 -9.313) 11.050 29.904 ( 4.287 -1.913 70.779) 70.935 30.047 ( -11.909 0.305 13.708) 18.161 30.699 ( -16.002 -0.210 -4.997) 16.766 33.313 ( 2.750 -1.821 -77.617) 77.687 83.688 ( 14.168 -8.920 37.041) 40.649 85.130 ( 12.519 2.111 -32.634) 35.016 ======================= Grid point 1371 (401/511) ======================= q-point: (-0.19 0.12 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.053 ( -8.086 -9.484 25.216) 28.128 4.212 ( -10.376 -9.883 25.436) 29.194 4.936 ( -24.883 -5.000 -6.866) 26.293 5.497 ( -11.610 -21.679 -16.301) 29.504 6.972 ( 0.944 10.026 23.973) 26.002 7.772 ( 0.762 9.701 -13.599) 16.722 9.379 ( 10.925 -1.316 12.048) 16.316 9.752 ( 9.966 -0.971 -4.855) 11.128 10.135 ( -20.254 0.288 5.773) 21.063 10.497 ( -18.313 0.411 -10.204) 20.968 10.904 ( -1.365 0.875 17.639) 17.714 11.646 ( 2.792 0.337 -16.066) 16.310 12.418 ( 2.171 3.410 20.349) 20.747 12.782 ( 0.748 6.206 1.020) 6.333 14.823 ( 6.674 -2.386 5.894) 9.218 15.057 ( 7.348 2.500 -6.115) 9.881 19.501 ( 1.804 2.314 15.002) 15.286 20.125 ( 3.126 -1.954 -12.991) 13.504 29.866 ( -6.469 0.235 12.998) 14.521 30.003 ( 4.765 -2.107 69.585) 69.780 30.434 ( -11.138 -0.083 -3.187) 11.586 33.364 ( 1.528 -1.801 -77.959) 77.995 83.963 ( 8.721 -10.324 33.988) 36.576 85.310 ( 7.022 2.712 -31.046) 31.946 ======================= Grid point 1372 (402/511) ======================= q-point: (-0.12 0.12 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.917 ( -0.000 0.747 22.938) 22.950 4.296 ( 0.000 -21.728 37.561) 43.393 4.661 ( 0.000 -1.078 -13.337) 13.381 5.499 ( 0.000 -20.285 -15.479) 25.516 6.937 ( -0.000 8.293 22.279) 23.773 7.729 ( -0.000 10.661 -13.788) 17.429 9.585 ( 0.000 -2.166 15.494) 15.644 9.836 ( 0.000 -0.332 2.841) 2.860 9.914 ( 0.000 -0.194 -1.298) 1.312 10.251 ( -0.000 0.614 -14.106) 14.119 10.896 ( -0.000 0.371 18.552) 18.555 11.677 ( -0.000 0.231 -18.072) 18.074 12.421 ( -0.000 3.315 20.090) 20.361 12.758 ( -0.000 5.244 2.333) 5.740 14.899 ( 0.000 -2.058 5.727) 6.085 15.116 ( -0.000 2.727 -5.610) 6.238 19.508 ( -0.000 2.036 15.039) 15.177 20.165 ( 0.000 -1.691 -15.033) 15.128 29.801 ( -0.000 0.187 12.730) 12.732 30.079 ( 0.000 -2.212 77.646) 77.678 30.306 ( -0.000 0.264 -11.073) 11.076 33.388 ( 0.000 -1.569 -77.989) 78.005 84.102 ( 0.000 -9.738 31.760) 33.220 85.365 ( -0.000 2.800 -29.063) 29.198 ======================= Grid point 1377 (403/511) ======================= q-point: ( 0.19 0.19 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.733 ( 19.680 -0.000 15.766) 25.216 6.071 ( 7.826 -0.000 -1.581) 7.984 6.367 ( 9.712 -0.000 23.711) 25.623 7.131 ( 8.471 -0.000 -10.638) 13.599 7.855 ( 2.706 -0.000 7.694) 8.156 8.153 ( 0.349 -0.000 -10.259) 10.265 9.854 ( -0.998 0.000 4.858) 4.959 10.279 ( 5.552 -0.000 -2.681) 6.166 10.579 ( -8.588 0.000 14.624) 16.959 11.043 ( 16.390 -0.000 10.989) 19.732 11.075 ( 5.484 -0.000 5.195) 7.554 11.831 ( -2.438 0.000 -28.001) 28.107 12.247 ( -8.919 0.000 8.895) 12.597 12.495 ( -3.118 0.000 -2.754) 4.160 14.211 ( 4.279 -0.000 3.234) 5.364 14.254 ( 4.657 -0.000 0.413) 4.675 19.160 ( -2.439 0.000 15.502) 15.693 19.407 ( -8.992 0.000 4.971) 10.275 29.674 ( -1.819 0.000 78.999) 79.020 31.215 ( 12.277 -0.000 18.719) 22.385 32.041 ( 12.326 -0.000 -16.624) 20.695 33.036 ( -3.607 0.000 -75.806) 75.892 82.593 ( -9.199 0.000 38.951) 40.022 84.062 ( -9.238 0.000 -31.105) 32.448 ======================= Grid point 1378 (404/511) ======================= q-point: ( 0.25 0.19 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.098 ( 17.432 0.515 9.467) 19.843 6.148 ( 2.824 -1.718 7.905) 8.568 6.615 ( 11.897 -0.285 16.976) 20.731 7.273 ( 5.879 -0.294 -8.429) 10.281 7.834 ( -3.260 0.677 9.646) 10.204 8.085 ( -7.078 0.447 -8.068) 10.742 9.858 ( 2.724 0.474 11.054) 11.395 10.153 ( -12.589 -0.407 19.416) 23.144 10.589 ( 6.586 -0.129 -13.193) 14.747 11.046 ( -7.251 -0.081 -4.521) 8.546 11.417 ( 19.394 0.510 12.279) 22.960 11.858 ( -0.394 -0.041 -9.226) 9.235 12.087 ( -3.765 -0.013 -1.697) 4.130 12.392 ( -7.054 0.044 -8.946) 11.393 14.292 ( 3.419 0.181 4.988) 6.050 14.358 ( 5.026 -0.178 1.153) 5.159 19.134 ( -0.051 -0.010 13.828) 13.829 19.253 ( -6.739 -0.030 8.838) 11.114 29.648 ( -0.900 0.011 79.408) 79.413 31.403 ( 6.890 -0.026 20.046) 21.197 32.224 ( 6.413 0.036 -17.414) 18.557 32.978 ( -2.259 0.048 -76.280) 76.314 82.464 ( -4.230 -0.027 38.588) 38.820 83.926 ( -4.763 -0.023 -31.039) 31.402 ======================= Grid point 1379 (405/511) ======================= q-point: ( 0.31 0.19 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.200 ( 1.733 -1.233 13.183) 13.354 6.387 ( 10.888 2.111 3.915) 11.761 6.729 ( -1.419 -1.222 17.251) 17.352 7.336 ( -0.050 -0.051 -3.995) 3.996 7.795 ( 0.577 0.380 6.744) 6.779 7.919 ( -7.835 -0.124 -6.901) 10.442 9.925 ( -4.980 1.945 17.046) 17.865 9.990 ( 5.767 -1.783 15.935) 17.039 10.735 ( 6.921 2.196 -11.116) 13.277 10.888 ( -6.779 -2.485 -13.614) 15.410 11.652 ( -11.792 1.701 9.364) 15.153 11.752 ( 8.789 -2.283 8.676) 12.559 12.152 ( 4.492 2.938 -11.726) 12.896 12.255 ( -4.669 -2.154 -12.598) 13.607 14.320 ( -0.802 -0.038 6.200) 6.252 14.422 ( 1.109 0.072 0.849) 1.399 19.157 ( -3.023 -0.060 12.009) 12.384 19.165 ( 3.302 0.060 11.703) 12.160 29.639 ( -0.050 -0.000 79.473) 79.473 31.472 ( 0.158 -0.002 20.608) 20.608 32.284 ( -0.225 0.002 -17.598) 17.599 32.952 ( -0.289 -0.001 -76.607) 76.608 82.427 ( 0.278 0.000 38.415) 38.416 83.881 ( 0.131 -0.000 -30.819) 30.819 ======================= Grid point 1380 (406/511) ======================= q-point: (-0.62 0.19 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.131 ( -12.326 0.769 15.971) 20.189 6.444 ( -3.071 4.795 2.078) 6.062 6.644 ( -5.274 -1.072 19.181) 19.922 7.299 ( -2.108 -0.595 -1.010) 2.412 7.767 ( -2.558 2.385 -0.456) 3.527 7.904 ( 2.953 -4.887 -5.068) 7.635 9.832 ( -1.892 0.672 13.243) 13.395 10.188 ( 10.171 -0.196 15.128) 18.231 10.708 ( -2.436 3.525 -11.483) 12.256 10.941 ( 4.523 -3.980 -4.755) 7.675 11.309 ( -20.068 -0.774 11.521) 23.153 11.867 ( -0.448 -0.848 -13.550) 13.584 12.152 ( 4.575 3.435 -0.919) 5.795 12.330 ( 5.723 -2.564 -6.552) 9.070 14.258 ( -5.414 -0.336 6.664) 8.593 14.395 ( -3.546 0.442 -0.174) 3.577 19.137 ( 0.765 0.034 14.320) 14.340 19.259 ( 6.382 0.081 9.318) 11.295 29.645 ( 0.679 -0.033 79.272) 79.275 31.408 ( -6.603 0.069 19.861) 20.930 32.216 ( -6.787 -0.096 -17.239) 18.528 32.966 ( 1.648 -0.139 -76.263) 76.281 82.471 ( 4.157 0.081 38.703) 38.925 83.931 ( 5.051 0.061 -30.885) 31.295 ======================= Grid point 1381 (407/511) ======================= q-point: (-0.56 0.19 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.732 ( -26.062 0.262 20.029) 32.871 6.194 ( -19.816 1.728 -2.841) 20.093 6.617 ( 2.714 5.282 22.578) 23.346 7.260 ( -3.992 0.352 -1.124) 4.162 7.721 ( -1.558 1.208 -0.317) 1.997 7.954 ( -1.561 -6.332 -8.976) 11.095 9.821 ( -0.525 0.286 7.370) 7.394 10.246 ( -7.216 0.008 -1.504) 7.371 10.717 ( 0.147 1.284 13.754) 13.814 10.952 ( -6.139 -3.915 3.683) 8.160 11.003 ( -3.084 1.179 4.688) 5.734 11.901 ( 6.878 0.581 -27.913) 28.754 12.266 ( 6.582 2.276 8.169) 10.734 12.436 ( 3.353 -2.517 -1.371) 4.411 14.138 ( -6.411 -1.035 6.096) 8.907 14.300 ( -5.147 0.670 -1.892) 5.525 19.178 ( 3.317 0.300 15.742) 16.090 19.401 ( 8.063 -0.105 6.746) 10.514 29.665 ( 1.308 -0.153 78.795) 78.806 31.225 ( -12.059 0.169 18.380) 21.983 32.028 ( -12.520 -0.212 -16.328) 20.577 33.013 ( 2.918 -0.379 -75.775) 75.832 82.584 ( 7.557 -0.144 39.470) 40.187 84.073 ( 9.624 0.173 -31.557) 32.993 ======================= Grid point 1382 (408/511) ======================= q-point: (-0.50 0.19 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.191 ( -29.562 -2.721 22.589) 37.304 5.754 ( -24.167 -1.252 -3.509) 24.452 6.628 ( 0.771 8.726 19.997) 21.832 7.089 ( -13.789 0.208 0.988) 13.826 7.654 ( -6.574 1.441 -0.308) 6.737 7.914 ( -4.404 -5.580 -12.161) 14.086 9.742 ( -8.807 -1.554 2.318) 9.239 9.933 ( -21.740 -1.012 -1.906) 21.847 10.636 ( -2.955 0.118 13.825) 14.137 10.873 ( -1.675 -1.670 -0.935) 2.544 11.195 ( 16.403 4.258 9.620) 19.487 12.072 ( 7.401 1.747 -21.159) 22.484 12.354 ( 2.805 1.038 9.294) 9.763 12.469 ( 0.149 -1.609 2.806) 3.238 14.065 ( -0.969 -2.055 4.403) 4.954 14.235 ( -0.010 0.336 -4.161) 4.174 19.252 ( 4.464 0.719 16.321) 16.936 19.563 ( 8.373 -0.555 3.908) 9.257 29.697 ( 1.905 -0.442 77.936) 77.960 30.954 ( -15.536 0.268 16.923) 22.975 31.744 ( -16.742 -0.286 -14.778) 22.333 33.079 ( 3.505 -0.732 -75.799) 75.883 82.763 ( 10.619 -1.160 40.432) 41.819 84.295 ( 13.374 0.373 -32.844) 35.465 ======================= Grid point 1383 (409/511) ======================= q-point: (-0.44 0.19 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.650 ( -28.093 -6.962 24.704) 38.052 5.307 ( -23.312 -5.284 -4.431) 24.310 6.481 ( -15.669 5.796 12.732) 21.005 6.755 ( -19.209 -0.085 1.950) 19.308 7.422 ( -14.747 1.921 5.482) 15.850 7.873 ( -1.594 -1.195 -13.209) 13.358 9.497 ( -16.121 -0.972 3.911) 16.617 9.602 ( -10.384 -3.301 -1.115) 10.953 10.614 ( 0.012 0.990 8.978) 9.033 10.911 ( 4.154 0.929 -7.590) 8.702 11.429 ( 7.459 5.948 10.762) 14.382 12.046 ( -9.108 0.775 -5.242) 10.537 12.299 ( -5.643 -1.779 15.241) 16.350 12.592 ( 11.055 3.263 -4.854) 12.507 14.137 ( 7.258 -2.284 3.639) 8.434 14.332 ( 9.960 -0.720 -6.334) 11.825 19.337 ( 4.746 1.274 16.163) 16.893 19.726 ( 7.911 -1.179 0.652) 8.025 29.743 ( 2.541 -0.930 76.494) 76.542 30.637 ( -16.736 0.338 15.678) 22.935 31.398 ( -18.892 -0.293 -12.440) 22.622 33.153 ( 3.615 -1.178 -76.350) 76.444 83.004 ( 13.106 -3.235 41.042) 43.205 84.576 ( 15.642 0.715 -34.401) 37.797 ======================= Grid point 1384 (410/511) ======================= q-point: (-0.38 0.19 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.205 ( -22.154 -12.077 26.771) 36.788 4.914 ( -20.989 -8.011 -3.311) 22.709 5.963 ( -33.798 -4.087 6.501) 34.660 6.305 ( -29.745 -1.252 -6.983) 30.579 7.188 ( -5.655 6.601 19.237) 21.110 7.858 ( 0.212 2.215 -13.040) 13.228 9.269 ( -6.727 0.018 7.670) 10.202 9.512 ( -1.211 -3.241 -3.766) 5.114 10.602 ( -1.178 1.789 8.016) 8.297 10.959 ( -0.728 1.531 -10.456) 10.593 11.351 ( -11.544 4.895 7.641) 14.683 11.792 ( -14.027 0.001 -1.670) 14.126 12.288 ( 4.072 -0.314 21.121) 21.513 12.764 ( 8.315 6.064 -5.406) 11.624 14.348 ( 12.426 -2.460 4.721) 13.519 14.590 ( 15.139 -0.566 -7.429) 16.873 19.419 ( 4.462 1.926 15.510) 16.254 19.878 ( 6.991 -1.788 -3.073) 7.843 29.805 ( 3.255 -1.537 74.248) 74.335 30.320 ( -15.507 0.357 14.589) 21.294 31.033 ( -18.631 -0.254 -9.205) 20.783 33.227 ( 3.327 -1.638 -77.124) 77.213 83.294 ( 14.211 -6.188 40.692) 43.544 84.877 ( 15.659 1.239 -35.663) 38.969 ======================= Grid point 1385 (411/511) ======================= q-point: (-0.31 0.19 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.940 ( -12.213 -16.944 28.446) 35.291 4.548 ( -21.224 -5.167 5.642) 22.561 5.350 ( -30.887 -10.939 -0.981) 32.781 5.686 ( -33.270 -8.638 -12.491) 36.572 7.110 ( 0.472 9.927 24.437) 26.380 7.857 ( 1.293 4.552 -12.603) 13.462 9.236 ( 3.184 0.698 10.113) 10.625 9.573 ( 5.703 -2.293 -5.111) 7.994 10.492 ( -11.628 2.179 6.300) 13.403 10.812 ( -12.944 -0.303 -5.447) 14.047 11.061 ( -13.386 2.651 9.497) 16.626 11.626 ( -1.994 0.445 -8.974) 9.204 12.390 ( 5.541 2.350 21.411) 22.241 12.847 ( 3.873 7.539 -2.986) 8.986 14.602 ( 11.700 -2.656 6.134) 13.475 14.877 ( 13.651 0.844 -7.495) 15.596 19.487 ( 3.541 2.534 14.765) 15.394 20.009 ( 5.455 -2.202 -7.023) 9.162 29.884 ( 4.041 -2.101 71.399) 71.544 30.050 ( -11.933 0.327 13.678) 18.154 30.697 ( -15.968 -0.202 -5.465) 16.878 33.294 ( 2.610 -1.999 -77.815) 77.884 83.597 ( 12.750 -9.333 39.077) 42.150 85.150 ( 12.843 1.919 -36.056) 38.323 ======================= Grid point 1386 (412/511) ======================= q-point: (-0.25 0.19 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.902 ( -1.482 -18.998 29.648) 35.244 4.159 ( -18.219 -2.329 19.508) 26.794 4.885 ( -22.262 -5.656 -8.529) 24.502 5.267 ( -15.767 -23.961 -17.509) 33.605 7.078 ( 1.108 11.088 25.318) 27.662 7.855 ( 1.118 6.816 -12.592) 14.362 9.374 ( 11.061 0.493 12.092) 16.396 9.741 ( 10.233 -1.357 -4.342) 11.199 10.141 ( -20.720 1.000 5.657) 21.501 10.496 ( -18.477 -0.701 -9.065) 20.593 10.913 ( -1.904 1.046 17.438) 17.572 11.650 ( 2.735 0.483 -15.989) 16.228 12.455 ( 2.687 3.920 20.657) 21.197 12.852 ( 1.001 7.961 -0.497) 8.039 14.798 ( 6.755 -2.595 6.948) 10.032 15.081 ( 7.760 2.259 -7.094) 10.754 19.527 ( 1.953 2.871 14.334) 14.749 20.104 ( 3.068 -2.344 -10.549) 11.234 29.868 ( -6.483 0.278 13.011) 14.539 29.980 ( 4.491 -2.545 70.806) 70.994 30.433 ( -10.984 -0.050 -4.243) 11.775 33.345 ( 1.460 -2.160 -78.218) 78.262 83.854 ( 7.865 -11.631 36.625) 39.224 85.336 ( 7.257 2.598 -35.231) 36.064 ======================= Grid point 1387 (413/511) ======================= q-point: (-0.19 0.19 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.926 ( -0.000 1.010 22.332) 22.355 4.065 ( 0.000 -24.521 35.444) 43.100 4.648 ( 0.000 -1.443 -12.899) 12.980 5.261 ( 0.000 -27.342 -18.783) 33.172 7.035 ( -0.000 11.077 24.968) 27.315 7.827 ( -0.000 8.843 -12.957) 15.687 9.571 ( 0.000 -0.389 16.267) 16.272 9.832 ( 0.000 -0.432 2.877) 2.909 9.912 ( 0.000 -0.250 -1.334) 1.358 10.253 ( 0.000 -0.407 -13.282) 13.289 10.901 ( -0.000 0.481 18.504) 18.510 11.680 ( -0.000 0.301 -18.041) 18.043 12.459 ( -0.000 4.268 20.257) 20.702 12.821 ( -0.000 7.448 0.990) 7.514 14.877 ( 0.000 -2.441 6.849) 7.271 15.144 ( -0.000 2.870 -6.582) 7.181 19.532 ( -0.000 2.785 14.428) 14.694 20.145 ( 0.000 -2.242 -12.759) 12.954 29.803 ( -0.000 0.245 12.742) 12.744 30.053 ( 0.000 -2.902 77.836) 77.890 30.309 ( -0.000 0.344 -11.089) 11.094 33.369 ( 0.000 -2.085 -78.253) 78.281 83.993 ( 0.000 -12.083 34.529) 36.582 85.394 ( -0.000 2.967 -33.304) 33.436 ======================= Grid point 1394 (414/511) ======================= q-point: ( 0.25 0.25 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.194 ( 2.110 -0.000 13.433) 13.598 6.397 ( 11.846 -0.000 3.083) 12.240 6.722 ( -1.867 0.000 17.864) 17.961 7.336 ( -0.019 0.000 -4.013) 4.013 7.797 ( 0.742 -0.000 6.653) 6.694 7.918 ( -8.599 0.000 -6.836) 10.985 9.937 ( -8.527 0.000 17.695) 19.643 9.978 ( 9.375 -0.000 15.305) 17.948 10.748 ( 9.104 -0.000 -11.287) 14.501 10.874 ( -8.963 0.000 -13.327) 16.061 11.663 ( -16.033 0.000 9.877) 18.831 11.737 ( 12.683 -0.000 7.734) 14.855 12.170 ( 7.534 -0.000 -11.060) 13.382 12.241 ( -7.608 0.000 -12.961) 15.029 14.320 ( -0.861 0.000 6.202) 6.261 14.422 ( 1.194 -0.000 0.849) 1.465 19.157 ( -3.021 0.000 12.020) 12.394 19.165 ( 3.323 -0.000 11.694) 12.157 29.639 ( -0.055 0.000 79.473) 79.473 31.472 ( 0.171 -0.000 20.608) 20.608 32.284 ( -0.244 0.000 -17.597) 17.599 32.952 ( -0.313 0.000 -76.607) 76.608 82.427 ( 0.301 -0.000 38.415) 38.416 83.881 ( 0.142 -0.000 -30.819) 30.819 ======================= Grid point 1395 (415/511) ======================= q-point: (-0.69 0.25 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.136 ( -11.764 0.277 16.429) 20.208 6.479 ( -4.575 2.066 -0.810) 5.085 6.633 ( -2.971 -0.761 21.887) 22.101 7.294 ( -2.325 -0.283 0.294) 2.360 7.795 ( -2.928 2.712 -5.034) 6.424 7.860 ( 2.597 -3.536 -1.790) 4.738 9.837 ( -1.918 0.307 13.236) 13.378 10.186 ( 10.253 -0.120 15.078) 18.234 10.737 ( -3.382 1.866 -12.859) 13.426 10.909 ( 5.257 -2.117 -3.072) 6.447 11.305 ( -20.089 -0.135 11.236) 23.018 11.859 ( 0.015 -0.452 -13.226) 13.234 12.181 ( 3.823 1.919 -2.180) 4.801 12.308 ( 6.025 -1.513 -5.799) 8.498 14.256 ( -5.523 -0.115 6.784) 8.749 14.398 ( -3.473 0.156 -0.274) 3.487 19.137 ( 0.825 0.012 14.360) 14.384 19.260 ( 6.352 0.028 9.359) 11.311 29.645 ( 0.661 -0.012 79.261) 79.264 31.409 ( -6.579 0.024 19.846) 20.908 32.215 ( -6.818 -0.034 -17.224) 18.525 32.965 ( 1.598 -0.049 -76.262) 76.278 82.471 ( 4.152 0.029 38.711) 38.934 83.931 ( 5.073 0.021 -30.871) 31.285 ======================= Grid point 1396 (416/511) ======================= q-point: (-0.62 0.25 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.734 ( -26.939 0.167 20.441) 33.817 6.207 ( -20.903 0.908 -2.953) 21.130 6.659 ( 4.435 3.177 22.415) 23.069 7.258 ( -3.910 -0.522 2.344) 4.589 7.745 ( -0.922 3.328 -5.207) 6.248 7.893 ( -2.177 -5.743 -6.988) 9.304 9.824 ( -0.984 0.257 7.356) 7.426 10.246 ( -7.209 0.105 -1.346) 7.335 10.726 ( -2.065 0.678 13.620) 13.792 10.920 ( -4.985 -2.519 3.671) 6.684 11.015 ( -1.368 0.945 3.980) 4.313 11.904 ( 7.309 0.089 -26.886) 27.862 12.290 ( 6.415 2.336 6.384) 9.347 12.412 ( 3.275 -2.311 -0.551) 4.046 14.130 ( -6.726 -0.550 6.439) 9.327 14.306 ( -5.176 0.364 -2.174) 5.626 19.180 ( 3.432 0.164 15.767) 16.138 19.401 ( 7.943 -0.058 6.975) 10.571 29.663 ( 1.244 -0.083 78.768) 78.778 31.226 ( -12.030 0.091 18.337) 21.931 32.027 ( -12.544 -0.114 -16.290) 20.560 33.010 ( 2.830 -0.206 -75.771) 75.824 82.583 ( 7.351 -0.077 39.533) 40.211 84.074 ( 9.668 0.092 -31.610) 33.056 ======================= Grid point 1397 (417/511) ======================= q-point: (-0.56 0.25 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.169 ( -30.909 -1.718 22.749) 38.417 5.743 ( -25.710 -0.850 -4.091) 26.047 6.708 ( 1.730 7.063 19.866) 21.155 7.081 ( -15.195 -1.582 4.694) 15.982 7.678 ( -6.891 3.238 -3.295) 8.297 7.859 ( -2.484 -5.623 -11.511) 13.050 9.729 ( -9.502 -0.986 2.515) 9.878 9.925 ( -22.274 -0.606 -2.055) 22.377 10.638 ( -2.544 0.222 13.462) 13.702 10.858 ( -0.287 -1.339 -1.076) 1.741 11.231 ( 16.963 2.939 9.215) 19.527 12.084 ( 7.240 0.696 -19.129) 20.466 12.370 ( 1.487 2.089 7.393) 7.825 12.450 ( 1.930 -2.122 2.561) 3.845 14.048 ( -1.171 -1.377 4.924) 5.245 14.238 ( -0.397 0.230 -4.581) 4.604 19.258 ( 4.639 0.487 16.261) 16.917 19.559 ( 8.160 -0.375 4.505) 9.329 29.693 ( 1.762 -0.296 77.908) 77.928 30.956 ( -15.512 0.179 16.854) 22.907 31.742 ( -16.742 -0.190 -14.723) 22.296 33.072 ( 3.370 -0.491 -75.801) 75.877 82.753 ( 10.028 -0.770 40.664) 41.890 84.298 ( 13.460 0.242 -33.206) 35.832 ======================= Grid point 1398 (418/511) ======================= q-point: (-0.50 0.25 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.591 ( -29.804 -4.961 24.329) 38.792 5.259 ( -25.151 -4.300 -5.682) 26.141 6.537 ( -20.938 5.429 11.899) 24.687 6.748 ( -17.315 -1.131 4.865) 18.021 7.440 ( -13.781 1.580 4.585) 14.609 7.862 ( 0.318 -1.119 -12.421) 12.475 9.492 ( -15.127 0.114 3.095) 15.440 9.570 ( -11.150 -3.218 -0.426) 11.612 10.623 ( 0.334 0.788 9.174) 9.214 10.918 ( 4.920 0.620 -7.990) 9.403 11.483 ( 7.848 4.835 10.084) 13.662 12.050 ( -9.790 0.085 -2.947) 10.224 12.284 ( -6.016 -1.298 15.400) 16.584 12.621 ( 12.629 2.615 -7.099) 14.722 14.118 ( 7.438 -1.638 3.932) 8.571 14.325 ( 9.521 -0.691 -6.686) 11.655 19.349 ( 4.994 1.001 15.938) 16.733 19.715 ( 7.652 -0.914 1.791) 7.912 29.735 ( 2.314 -0.714 76.514) 76.553 30.640 ( -16.728 0.258 15.601) 22.875 31.395 ( -18.869 -0.221 -12.405) 22.583 33.142 ( 3.441 -0.907 -76.384) 76.467 82.976 ( 12.064 -2.450 41.628) 43.410 84.582 ( 15.788 0.513 -35.441) 38.802 ======================= Grid point 1399 (419/511) ======================= q-point: (-0.44 0.25 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.098 ( -24.051 -9.356 25.778) 36.476 4.833 ( -21.917 -8.066 -6.083) 24.134 5.932 ( -36.941 -2.280 8.583) 37.993 6.293 ( -31.887 -1.062 -6.523) 32.565 7.248 ( -3.652 5.413 18.882) 19.979 7.872 ( 0.781 0.773 -11.944) 11.994 9.275 ( -5.848 1.159 6.741) 9.000 9.480 ( -0.887 -3.299 -3.041) 4.574 10.618 ( -0.934 1.410 8.256) 8.428 10.973 ( -1.044 1.298 -10.971) 11.097 11.396 ( -13.059 4.170 7.247) 15.506 11.792 ( -13.977 -0.122 -0.333) 13.981 12.285 ( 5.479 -0.342 21.987) 22.663 12.821 ( 9.298 5.344 -7.169) 12.900 14.326 ( 12.409 -1.806 4.932) 13.475 14.583 ( 15.470 -0.898 -7.877) 17.383 19.437 ( 4.774 1.701 15.057) 15.887 19.861 ( 6.757 -1.543 -1.296) 7.051 29.791 ( 2.986 -1.313 74.431) 74.502 30.323 ( -15.518 0.302 14.528) 21.259 31.031 ( -18.599 -0.206 -9.292) 20.792 33.212 ( 3.146 -1.402 -77.224) 77.301 83.237 ( 12.853 -5.152 41.845) 44.076 84.888 ( 15.867 0.935 -37.730) 40.941 ======================= Grid point 1400 (420/511) ======================= q-point: (-0.38 0.25 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( -13.827 -14.219 27.108) 33.588 4.484 ( -19.110 -7.773 0.265) 20.632 5.249 ( -33.644 -9.176 2.429) 34.958 5.618 ( -36.664 -5.325 -11.134) 38.685 7.201 ( 1.078 8.307 23.708) 25.144 7.887 ( 1.347 1.623 -11.218) 11.414 9.251 ( 3.943 2.430 9.025) 10.144 9.549 ( 6.120 -2.557 -4.335) 7.924 10.514 ( -11.483 2.243 6.120) 13.204 10.808 ( -14.279 -0.512 -5.074) 15.162 11.083 ( -14.278 1.944 10.005) 17.542 11.631 ( -1.694 0.625 -8.673) 8.859 12.412 ( 6.569 2.084 22.091) 23.141 12.921 ( 4.514 7.423 -4.574) 9.819 14.578 ( 11.674 -2.276 6.620) 13.612 14.882 ( 14.296 0.255 -8.201) 16.483 19.512 ( 3.842 2.471 14.081) 14.803 19.987 ( 5.297 -2.087 -4.659) 7.356 29.864 ( 3.783 -1.969 71.979) 72.105 30.053 ( -11.958 0.301 13.642) 18.144 30.695 ( -15.925 -0.164 -5.895) 16.982 33.275 ( 2.465 -1.873 -78.003) 78.065 83.509 ( 11.417 -8.383 40.957) 43.337 85.167 ( 13.074 1.494 -39.294) 41.439 ======================= Grid point 1401 (421/511) ======================= q-point: (-0.31 0.25 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( -2.262 -18.527 28.937) 34.434 4.142 ( -17.522 -1.633 16.322) 24.002 4.812 ( -17.680 -10.390 -9.597) 22.641 5.055 ( -23.187 -17.539 -15.677) 33.031 7.182 ( 1.258 9.835 25.040) 26.932 7.903 ( 1.156 2.882 -11.157) 11.581 9.391 ( 11.549 2.955 11.128) 16.308 9.726 ( 10.620 -1.633 -3.738) 11.377 10.155 ( -21.219 1.865 5.437) 21.984 10.482 ( -18.842 -2.097 -7.424) 20.361 10.924 ( -2.453 1.022 17.325) 17.528 11.655 ( 2.592 0.557 -15.927) 16.147 12.493 ( 3.231 3.779 21.201) 21.776 12.935 ( 1.352 8.666 -2.024) 9.001 14.772 ( 6.780 -2.535 7.775) 10.623 15.100 ( 8.204 1.660 -8.005) 11.582 19.557 ( 2.133 3.051 13.511) 14.015 20.080 ( 2.997 -2.415 -7.820) 8.716 29.871 ( -6.497 0.278 13.029) 14.562 29.954 ( 4.187 -2.603 71.934) 72.103 30.433 ( -10.813 -0.007 -5.209) 12.002 33.323 ( 1.382 -2.199 -78.484) 78.527 83.740 ( 7.016 -11.186 39.196) 41.360 85.360 ( 7.429 2.095 -39.439) 40.187 ======================= Grid point 1402 (422/511) ======================= q-point: (-0.25 0.25 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.828 ( 0.000 -23.068 32.721) 40.035 3.937 ( -0.000 1.142 21.600) 21.630 4.633 ( 0.000 -1.610 -12.364) 12.468 4.977 ( 0.000 -29.721 -19.903) 35.770 7.144 ( -0.000 10.779 25.478) 27.664 7.896 ( -0.000 4.873 -11.721) 12.693 9.583 ( -0.000 3.117 16.055) 16.355 9.827 ( 0.000 -0.465 2.919) 2.956 9.910 ( 0.000 -0.267 -1.379) 1.404 10.241 ( 0.000 -2.138 -11.662) 11.856 10.905 ( -0.000 0.515 18.449) 18.457 11.683 ( -0.000 0.325 -18.004) 18.007 12.503 ( -0.000 4.475 20.659) 21.138 12.902 ( -0.000 8.844 -0.525) 8.860 14.852 ( 0.000 -2.572 7.880) 8.290 15.170 ( -0.000 2.443 -7.579) 7.963 19.562 ( -0.000 3.199 13.616) 13.987 20.122 ( 0.000 -2.491 -10.003) 10.309 29.806 ( -0.000 0.265 12.756) 12.758 30.023 ( 0.000 -3.157 78.047) 78.111 30.313 ( -0.000 0.372 -11.108) 11.114 33.348 ( 0.000 -2.300 -78.548) 78.582 83.870 ( 0.000 -12.481 37.432) 39.458 85.421 ( -0.000 2.550 -37.905) 37.991 ======================= Grid point 1411 (423/511) ======================= q-point: (-0.69 0.31 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.735 ( -27.247 0.000 20.581) 34.146 6.212 ( -21.270 0.000 -2.992) 21.480 6.675 ( 5.099 -0.000 22.353) 22.928 7.254 ( -3.974 0.000 3.654) 5.398 7.769 ( -0.043 0.000 -8.820) 8.820 7.857 ( -3.029 0.000 -4.472) 5.401 9.826 ( -1.167 0.000 7.338) 7.430 10.247 ( -7.186 0.000 -1.298) 7.302 10.730 ( -2.958 0.000 13.591) 13.909 10.907 ( -4.406 0.000 3.643) 5.717 11.020 ( -0.827 0.000 3.753) 3.843 11.905 ( 7.464 -0.000 -26.433) 27.466 12.304 ( 6.475 -0.000 5.485) 8.486 12.398 ( 3.128 -0.000 -0.085) 3.129 14.127 ( -6.838 0.000 6.558) 9.475 14.307 ( -5.185 0.000 -2.273) 5.661 19.181 ( 3.473 -0.000 15.776) 16.154 19.400 ( 7.901 -0.000 7.055) 10.592 29.663 ( 1.221 -0.000 78.759) 78.768 31.227 ( -12.020 0.000 18.322) 21.913 32.026 ( -12.552 0.000 -16.277) 20.555 33.009 ( 2.798 -0.000 -75.770) 75.822 82.583 ( 7.279 -0.000 39.555) 40.219 84.075 ( 9.684 -0.000 -31.628) 33.077 ======================= Grid point 1413 (424/511) ======================= q-point: (-0.62 0.31 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.157 ( -31.615 -0.586 22.834) 39.003 5.738 ( -26.555 -0.299 -4.372) 26.914 6.759 ( 2.904 2.954 19.716) 20.146 7.065 ( -16.467 -1.138 6.826) 17.862 7.711 ( -9.825 2.869 -4.990) 11.387 7.810 ( 1.172 -3.618 -11.142) 11.774 9.722 ( -9.865 -0.338 2.597) 10.207 9.921 ( -22.622 -0.199 -2.159) 22.726 10.640 ( -2.342 0.112 13.284) 13.489 10.849 ( 0.542 -0.518 -1.126) 1.353 11.251 ( 17.260 1.053 8.979) 19.485 12.087 ( 7.121 0.140 -17.696) 19.076 12.392 ( -1.685 1.990 6.147) 6.678 12.429 ( 5.372 -1.924 2.307) 6.155 14.038 ( -1.284 -0.484 5.211) 5.389 14.239 ( -0.611 0.082 -4.808) 4.847 19.262 ( 4.736 0.173 16.226) 16.904 19.556 ( 8.044 -0.133 4.831) 9.384 29.691 ( 1.684 -0.104 77.893) 77.911 30.957 ( -15.500 0.063 16.816) 22.870 31.741 ( -16.742 -0.067 -14.693) 22.275 33.069 ( 3.296 -0.173 -75.802) 75.874 82.748 ( 9.710 -0.269 40.788) 41.929 84.300 ( 13.505 0.084 -33.400) 36.027 ======================= Grid point 1414 (425/511) ======================= q-point: (-0.56 0.31 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.554 ( -30.875 -2.574 24.063) 39.229 5.225 ( -26.488 -2.388 -6.315) 27.335 6.584 ( -26.834 3.735 10.366) 29.008 6.735 ( -13.529 -1.443 7.557) 15.563 7.452 ( -13.262 0.900 3.988) 13.878 7.853 ( 1.559 -0.687 -11.812) 11.935 9.499 ( -14.031 1.207 2.163) 14.248 9.540 ( -12.038 -2.829 0.360) 12.371 10.629 ( 0.495 0.436 9.302) 9.325 10.923 ( 5.465 0.303 -8.247) 9.897 11.521 ( 8.219 2.765 9.552) 12.901 12.049 ( -10.163 -0.192 -1.282) 10.246 12.274 ( -6.423 -0.669 15.397) 16.696 12.642 ( 13.669 1.460 -8.511) 16.168 14.105 ( 7.631 -0.850 4.072) 8.691 14.320 ( 9.141 -0.422 -6.886) 11.452 19.356 ( 5.168 0.552 15.774) 16.608 19.708 ( 7.476 -0.500 2.564) 7.919 29.729 ( 2.161 -0.387 76.527) 76.558 30.642 ( -16.722 0.140 15.549) 22.834 31.394 ( -18.853 -0.118 -12.381) 22.555 33.135 ( 3.324 -0.493 -76.406) 76.480 82.957 ( 11.378 -1.317 42.010) 43.544 84.586 ( 15.875 0.266 -36.124) 39.459 ======================= Grid point 1415 (426/511) ======================= q-point: (-0.50 0.31 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.023 ( -25.379 -5.869 24.873) 36.017 4.762 ( -23.086 -5.904 -7.594) 25.010 5.916 ( -38.976 -1.059 9.761) 40.194 6.285 ( -33.200 -0.695 -6.108) 33.764 7.293 ( -2.318 3.576 18.446) 18.932 7.875 ( 0.816 -0.052 -10.965) 10.996 9.290 ( -5.021 1.723 5.784) 7.851 9.449 ( -0.601 -2.848 -2.409) 3.778 10.630 ( -0.776 0.883 8.462) 8.543 10.984 ( -1.212 0.869 -11.551) 11.647 11.431 ( -14.555 2.839 7.097) 16.440 11.790 ( -13.686 -0.162 0.581) 13.699 12.282 ( 6.589 -0.282 22.753) 23.690 12.866 ( 10.108 3.677 -8.341) 13.611 14.312 ( 12.373 -1.061 4.886) 13.345 14.574 ( 15.689 -0.819 -8.116) 17.683 19.452 ( 5.033 1.178 14.667) 15.551 19.848 ( 6.568 -1.052 0.104) 6.652 29.780 ( 2.775 -0.882 74.564) 74.621 30.326 ( -15.526 0.202 14.481) 21.232 31.029 ( -18.573 -0.133 -9.355) 20.796 33.200 ( 3.005 -0.944 -77.298) 77.362 83.195 ( 11.840 -3.400 42.692) 44.433 84.896 ( 15.995 0.572 -39.266) 42.403 ======================= Grid point 1416 (427/511) ======================= q-point: (-0.44 0.31 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( -15.087 -10.013 25.470) 31.251 4.403 ( -17.877 -8.153 -4.128) 20.078 5.175 ( -36.805 -5.682 6.033) 37.726 5.577 ( -38.092 -3.065 -10.116) 39.531 7.271 ( 1.466 5.978 22.709) 23.529 7.893 ( 0.977 -0.324 -9.760) 9.814 9.281 ( 4.858 3.333 7.566) 9.589 9.523 ( 6.475 -2.568 -3.574) 7.829 10.535 ( -10.863 1.900 6.015) 12.562 10.802 ( -16.027 -0.558 -5.404) 16.923 11.099 ( -14.875 1.172 11.156) 18.631 11.637 ( -1.478 0.609 -8.526) 8.675 12.430 ( 7.419 1.534 22.804) 24.030 12.988 ( 5.155 5.983 -5.740) 9.763 14.558 ( 11.559 -1.657 6.756) 13.491 14.883 ( 14.850 -0.134 -8.685) 17.203 19.534 ( 4.126 1.994 13.410) 14.171 19.969 ( 5.146 -1.650 -2.570) 5.984 29.847 ( 3.555 -1.525 72.438) 72.541 30.056 ( -11.979 0.230 13.611) 18.133 30.693 ( -15.881 -0.112 -6.234) 17.061 33.258 ( 2.337 -1.450 -78.156) 78.204 83.436 ( 10.336 -6.286 42.451) 44.141 85.179 ( 13.215 0.988 -41.919) 43.964 ======================= Grid point 1417 (428/511) ======================= q-point: (-0.38 0.31 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.550 ( -3.403 -14.332 26.703) 30.496 4.121 ( -14.704 -2.890 12.339) 19.412 4.678 ( -17.202 -15.249 -9.200) 24.760 4.940 ( -28.005 -6.645 -12.201) 31.262 7.268 ( 1.345 7.567 24.004) 25.204 7.914 ( 0.928 -0.283 -9.392) 9.442 9.430 ( 12.314 4.678 9.197) 16.066 9.709 ( 11.120 -1.825 -3.150) 11.701 10.177 ( -21.581 2.730 5.103) 22.344 10.455 ( -19.539 -3.302 -5.487) 20.562 10.933 ( -2.893 0.825 17.336) 17.595 11.660 ( 2.397 0.518 -15.881) 16.069 12.528 ( 3.715 3.086 21.900) 22.427 13.018 ( 1.747 7.900 -3.283) 8.732 14.749 ( 6.743 -2.176 8.254) 10.878 15.113 ( 8.609 0.978 -8.737) 12.305 19.586 ( 2.322 2.761 12.620) 13.125 20.057 ( 2.919 -2.134 -5.181) 6.318 29.873 ( -6.510 0.237 13.052) 14.588 29.930 ( 3.903 -2.249 72.824) 72.963 30.433 ( -10.653 0.024 -5.965) 12.209 33.302 ( 1.306 -1.894 -78.717) 78.751 83.639 ( 6.282 -9.210 41.369) 42.845 85.377 ( 7.533 1.459 -43.092) 43.770 ======================= Grid point 1418 (429/511) ======================= q-point: (-0.31 0.31 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( 0.000 -18.632 29.484) 34.878 3.948 ( -0.000 1.105 20.844) 20.873 4.617 ( 0.000 -1.538 -11.806) 11.906 4.690 ( 0.000 -27.852 -19.474) 33.985 7.242 ( -0.000 8.838 24.717) 26.250 7.923 ( -0.000 0.865 -10.001) 10.038 9.633 ( -0.000 6.931 14.378) 15.961 9.823 ( 0.000 -0.426 2.960) 2.991 9.907 ( 0.000 -0.243 -1.424) 1.444 10.210 ( 0.000 -4.210 -9.277) 10.188 10.910 ( -0.000 0.470 18.397) 18.403 11.686 ( -0.000 0.299 -17.968) 17.970 12.545 ( -0.000 3.977 21.289) 21.658 12.991 ( -0.000 8.895 -1.916) 9.099 14.827 ( 0.000 -2.431 8.617) 8.954 15.191 ( -0.000 1.728 -8.456) 8.631 19.594 ( -0.000 3.163 12.671) 13.060 20.098 ( 0.000 -2.397 -7.132) 7.524 29.808 ( -0.000 0.245 12.769) 12.772 29.993 ( 0.000 -2.933 78.247) 78.302 30.316 ( -0.000 0.344 -11.127) 11.132 33.325 ( 0.000 -2.165 -78.828) 78.857 83.753 ( 0.000 -11.117 40.047) 41.561 85.443 ( -0.000 1.884 -42.178) 42.220 ======================= Grid point 1429 (430/511) ======================= q-point: (-0.62 0.38 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.541 ( -31.239 0.000 23.966) 39.373 5.213 ( -26.975 0.000 -6.506) 27.748 6.604 ( -30.599 0.000 9.317) 31.986 6.726 ( -10.482 0.000 8.975) 13.799 7.457 ( -13.104 0.000 3.778) 13.638 7.849 ( 1.989 -0.000 -11.582) 11.752 9.515 ( -8.999 0.000 -0.068) 8.999 9.516 ( -16.987 0.000 2.528) 17.174 10.631 ( 0.541 -0.000 9.346) 9.362 10.924 ( 5.662 -0.000 -8.333) 10.075 11.535 ( 8.381 -0.000 9.342) 12.550 12.048 ( -10.284 0.000 -0.662) 10.306 12.271 ( -6.599 0.000 15.371) 16.728 12.649 ( 14.030 -0.000 -8.987) 16.662 14.101 ( 7.714 -0.000 4.111) 8.741 14.318 ( 8.990 -0.000 -6.949) 11.363 19.359 ( 5.231 -0.000 15.713) 16.561 19.706 ( 7.413 -0.000 2.839) 7.938 29.728 ( 2.108 -0.000 76.531) 76.560 30.643 ( -16.720 0.000 15.530) 22.820 31.393 ( -18.847 0.000 -12.373) 22.545 33.133 ( 3.283 -0.000 -76.413) 76.484 82.950 ( 11.138 -0.000 42.143) 43.590 84.587 ( 15.904 -0.000 -36.362) 39.688 ======================= Grid point 1431 (431/511) ======================= q-point: (-0.56 0.38 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.984 ( -26.047 -1.993 24.331) 35.699 4.722 ( -23.878 -2.158 -8.212) 25.342 5.910 ( -39.952 -0.298 10.263) 41.250 6.280 ( -33.820 -0.240 -5.867) 34.326 7.317 ( -1.648 1.257 18.158) 18.275 7.874 ( 0.694 -0.130 -10.382) 10.406 9.305 ( -4.576 0.956 5.196) 6.990 9.427 ( -0.375 -1.294 -2.059) 2.460 10.635 ( -0.703 0.299 8.579) 8.613 10.989 ( -1.274 0.305 -11.916) 11.987 11.450 ( -15.522 1.013 7.052) 17.079 11.789 ( -13.406 -0.075 1.033) 13.446 12.280 ( 7.206 -0.111 23.213) 24.306 12.891 ( 10.568 1.311 -8.906) 13.883 14.306 ( 12.343 -0.343 4.777) 13.239 14.568 ( 15.796 -0.332 -8.204) 17.802 19.460 ( 5.181 0.423 14.435) 15.343 19.841 ( 6.461 -0.374 0.881) 6.531 29.774 ( 2.660 -0.311 74.634) 74.682 30.327 ( -15.531 0.071 14.455) 21.217 31.028 ( -18.557 -0.046 -9.388) 20.797 33.194 ( 2.928 -0.333 -77.336) 77.393 83.172 ( 11.301 -1.186 43.138) 44.610 84.899 ( 16.054 0.191 -40.082) 43.178 ======================= Grid point 1432 (432/511) ======================= q-point: (-0.50 0.38 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( -15.814 -5.095 24.112) 29.282 4.335 ( -17.715 -5.223 -6.551) 19.596 5.135 ( -38.705 -2.524 8.327) 39.671 5.556 ( -38.655 -1.420 -9.515) 39.834 7.317 ( 1.693 3.172 21.899) 22.192 7.886 ( 0.532 -0.741 -8.641) 8.689 9.312 ( 5.610 2.626 6.304) 8.838 9.500 ( 6.693 -1.915 -2.991) 7.577 10.550 ( -10.065 1.115 6.009) 11.775 10.798 ( -17.630 -0.378 -5.943) 18.608 11.107 ( -15.196 0.525 12.231) 19.514 11.642 ( -1.362 0.373 -8.476) 8.593 12.442 ( 7.980 0.807 23.354) 24.693 13.035 ( 5.633 3.349 -6.411) 9.168 14.546 ( 11.427 -0.869 6.690) 13.269 14.881 ( 15.226 -0.194 -8.946) 17.661 19.549 ( 4.334 1.124 12.898) 13.653 19.956 ( 5.034 -0.919 -1.114) 5.237 29.835 ( 3.398 -0.831 72.729) 72.813 30.058 ( -11.993 0.124 13.590) 18.125 30.693 ( -15.849 -0.056 -6.447) 17.110 33.247 ( 2.249 -0.790 -78.254) 78.290 83.388 ( 9.633 -3.361 43.406) 44.589 85.186 ( 13.286 0.484 -43.618) 45.599 ======================= Grid point 1433 (433/511) ======================= q-point: (-0.44 0.38 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( -4.058 -8.675 24.270) 26.092 4.086 ( -11.181 -4.044 7.012) 13.803 4.547 ( -22.107 -10.216 -4.610) 24.786 4.899 ( -28.005 -2.554 -10.712) 30.092 7.330 ( 1.398 4.853 22.891) 23.442 7.903 ( 0.595 -1.537 -7.758) 7.931 9.477 ( 13.045 4.544 7.014) 15.492 9.691 ( 11.666 -1.800 -2.654) 12.098 10.207 ( -21.539 3.139 4.605) 22.248 10.419 ( -20.600 -3.692 -3.557) 21.229 10.939 ( -3.176 0.524 17.416) 17.711 11.665 ( 2.213 0.366 -15.847) 16.005 12.553 ( 4.073 2.004 22.564) 23.016 13.085 ( 2.093 5.563 -4.121) 7.233 14.731 ( 6.672 -1.490 8.419) 10.846 15.120 ( 8.917 0.438 -9.230) 12.841 19.609 ( 2.485 1.957 11.815) 12.231 20.039 ( 2.846 -1.493 -3.047) 4.429 29.875 ( -6.524 0.161 13.061) 14.601 29.911 ( 3.689 -1.524 73.433) 73.542 30.433 ( -10.532 0.029 -6.469) 12.360 33.287 ( 1.246 -1.281 -78.888) 78.908 83.563 ( 5.744 -6.038 42.928) 43.729 85.388 ( 7.586 0.837 -45.762) 46.394 ======================= Grid point 1434 (434/511) ======================= q-point: (-0.38 0.38 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( 0.000 -12.476 26.087) 28.916 3.958 ( -0.000 0.883 20.183) 20.202 4.442 ( 0.000 -22.011 -18.185) 28.552 4.603 ( 0.000 -1.214 -11.312) 11.377 7.316 ( -0.000 6.301 23.521) 24.351 7.918 ( 0.000 -1.530 -8.120) 8.263 9.715 ( -0.000 9.342 11.460) 14.785 9.819 ( 0.000 -0.324 2.995) 3.013 9.905 ( 0.000 -0.184 -1.463) 1.474 10.159 ( 0.000 -6.116 -6.333) 8.804 10.915 ( -0.000 0.357 18.354) 18.357 11.689 ( -0.000 0.228 -17.938) 17.939 12.579 ( -0.000 2.942 22.005) 22.200 13.072 ( -0.000 7.275 -2.959) 7.853 14.805 ( 0.000 -1.942 9.003) 9.210 15.204 ( -0.000 0.995 -9.119) 9.173 19.622 ( -0.000 2.592 11.718) 12.001 20.076 ( 0.000 -1.931 -4.559) 4.951 29.811 ( -0.000 0.188 12.781) 12.782 29.967 ( 0.000 -2.255 78.406) 78.439 30.319 ( -0.000 0.263 -11.143) 11.146 33.306 ( 0.000 -1.682 -79.053) 79.071 83.656 ( 0.000 -8.295 42.089) 42.899 85.458 ( -0.000 1.192 -45.595) 45.610 ======================= Grid point 1447 (435/511) ======================= q-point: (-0.56 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( -16.038 0.000 23.581) 28.518 4.308 ( -17.813 0.000 -7.257) 19.235 5.123 ( -39.286 0.000 9.058) 40.316 5.549 ( -38.807 0.000 -9.316) 39.909 7.332 ( 1.773 -0.000 21.591) 21.664 7.882 ( 0.337 -0.000 -8.223) 8.230 9.326 ( 5.909 -0.000 5.814) 8.290 9.490 ( 6.756 -0.000 -2.776) 7.304 10.556 ( -9.683 0.000 6.028) 11.406 10.796 ( -18.303 0.000 -6.199) 19.324 11.109 ( -15.294 0.000 12.662) 19.855 11.644 ( -1.327 0.000 -8.467) 8.570 12.446 ( 8.176 -0.000 23.561) 24.940 13.052 ( 5.810 -0.000 -6.624) 8.811 14.541 ( 11.369 -0.000 6.633) 13.162 14.880 ( 15.360 -0.000 -9.025) 17.815 19.555 ( 4.412 -0.000 12.703) 13.447 19.951 ( 4.991 -0.000 -0.588) 5.025 29.831 ( 3.342 -0.000 72.828) 72.905 30.058 ( -11.997 0.000 13.582) 18.122 30.692 ( -15.838 0.000 -6.519) 17.127 33.243 ( 2.217 -0.000 -78.288) 78.319 83.371 ( 9.390 -0.000 43.733) 44.730 85.188 ( 13.307 -0.000 -44.206) 46.165 ======================= Grid point 1449 (436/511) ======================= q-point: (-0.50 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1536 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( -4.280 -2.840 22.665) 23.240 4.052 ( -9.079 -2.106 3.009) 9.794 4.482 ( -25.374 -3.167 -0.403) 25.574 4.883 ( -27.722 -0.734 -10.222) 29.555 7.362 ( 1.436 1.703 22.200) 22.312 7.890 ( 0.354 -0.805 -6.786) 6.842 9.511 ( 13.441 2.025 5.566) 14.689 9.676 ( 12.069 -0.913 -2.347) 12.329 10.233 ( -21.035 1.754 4.088) 21.500 10.389 ( -21.737 -1.977 -2.183) 21.935 10.943 ( -3.307 0.178 17.483) 17.794 11.667 ( 2.102 0.132 -15.829) 15.969 12.566 ( 4.264 0.693 22.970) 23.373 13.123 ( 2.294 2.008 -4.520) 5.452 14.721 ( 6.617 -0.533 8.428) 10.729 15.123 ( 9.083 0.112 -9.471) 13.123 19.623 ( 2.582 0.713 11.318) 11.631 20.029 ( 2.800 -0.541 -1.833) 3.390 29.876 ( -6.541 0.058 13.015) 14.567 29.901 ( 3.583 -0.540 73.787) 73.876 30.433 ( -10.467 0.013 -6.718) 12.438 33.278 ( 1.212 -0.453 -78.977) 78.988 83.523 ( 5.459 -2.101 43.739) 44.128 85.394 ( 7.607 0.270 -47.167) 47.777 ======================= Grid point 1450 (437/511) ======================= q-point: (-0.44 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 816 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.376 ( 0.000 -5.988 23.314) 24.071 3.965 ( -0.000 0.492 19.729) 19.736 4.270 ( 0.000 -12.367 -16.811) 20.870 4.594 ( 0.000 -0.671 -10.972) 10.992 7.364 ( -0.000 3.370 22.524) 22.774 7.901 ( 0.000 -1.631 -6.672) 6.868 9.807 ( -0.000 8.611 8.138) 11.848 9.817 ( 0.000 -0.175 3.018) 3.023 9.904 ( 0.000 -0.099 -1.489) 1.492 10.094 ( 0.000 -6.482 -3.255) 7.254 10.917 ( -0.000 0.192 18.326) 18.327 11.691 ( -0.000 0.123 -17.917) 17.918 12.602 ( -0.000 1.558 22.575) 22.629 13.129 ( -0.000 4.107 -3.567) 5.440 14.790 ( 0.000 -1.092 9.126) 9.191 15.211 ( -0.000 0.420 -9.521) 9.531 19.643 ( -0.000 1.480 10.969) 11.068 20.061 ( 0.000 -1.095 -2.733) 2.945 29.812 ( -0.000 0.102 12.789) 12.789 29.950 ( 0.000 -1.224 78.508) 78.518 30.321 ( -0.000 0.142 -11.153) 11.154 33.293 ( 0.000 -0.919 -79.198) 79.203 83.593 ( 0.000 -4.423 43.380) 43.605 85.467 ( -0.000 0.566 -47.790) 47.793 ======================= Grid point 1466 (438/511) ======================= q-point: ( 0.50 -0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( -0.000 0.000 22.211) 22.211 3.967 ( -0.000 0.000 19.568) 19.568 4.208 ( -0.000 0.000 -16.209) 16.209 4.591 ( -0.000 0.000 -10.850) 10.850 7.381 ( -0.000 0.000 22.143) 22.143 7.892 ( -0.000 0.000 -6.134) 6.134 9.816 ( -0.000 0.000 3.026) 3.026 9.858 ( -0.000 0.000 6.276) 6.276 9.903 ( -0.000 0.000 -1.498) 1.498 10.054 ( -0.000 0.000 -1.523) 1.523 10.918 ( -0.000 0.000 18.316) 18.316 11.691 ( -0.000 0.000 -17.910) 17.910 12.609 ( -0.000 0.000 22.793) 22.793 13.149 ( -0.000 0.000 -3.761) 3.761 14.785 ( -0.000 0.000 9.141) 9.141 15.213 ( -0.000 0.000 -9.654) 9.654 19.650 ( -0.000 0.000 10.678) 10.678 20.055 ( -0.000 0.000 -2.065) 2.065 29.813 ( -0.000 0.000 12.791) 12.791 29.943 ( -0.000 0.000 78.543) 78.543 30.322 ( -0.000 0.000 -11.157) 11.157 33.289 ( -0.000 0.000 -79.248) 79.248 83.571 ( -0.000 0.000 43.821) 43.821 85.470 ( -0.000 0.000 -48.545) 48.545 ======================= Grid point 1590 (439/511) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.341 ( 0.000 0.000 -18.198) 18.198 4.341 ( 0.000 0.000 18.198) 18.198 5.272 ( 0.000 0.000 -29.625) 29.625 5.272 ( 0.000 0.000 29.625) 29.625 7.242 ( 0.000 0.000 -18.548) 18.548 7.242 ( 0.000 0.000 18.548) 18.548 9.885 ( 0.000 0.000 -1.775) 1.775 9.885 ( 0.000 0.000 1.775) 1.775 9.920 ( 0.000 0.000 -15.366) 15.366 9.920 ( 0.000 0.000 15.366) 15.366 11.287 ( 0.000 0.000 -19.065) 19.065 11.287 ( 0.000 0.000 19.065) 19.065 12.681 ( 0.000 0.000 -7.412) 7.412 12.681 ( 0.000 0.000 7.412) 7.412 15.005 ( 0.000 0.000 -3.510) 3.510 15.005 ( 0.000 0.000 3.510) 3.510 19.823 ( 0.000 0.000 -16.957) 16.957 19.823 ( 0.000 0.000 16.957) 16.957 30.060 ( 0.000 0.000 -12.254) 12.254 30.060 ( 0.000 0.000 12.254) 12.254 31.752 ( 0.000 0.000 -80.398) 80.398 31.752 ( 0.000 0.000 80.398) 80.398 84.791 ( 0.000 0.000 -27.232) 27.232 84.791 ( 0.000 0.000 27.232) 27.232 ======================= Grid point 1592 (440/511) ======================= q-point: ( 0.06 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.473 ( 12.495 0.681 -13.052) 18.081 4.473 ( 12.495 0.681 13.052) 18.081 5.370 ( 12.318 6.539 -25.266) 28.860 5.370 ( 12.318 6.539 25.266) 28.860 7.249 ( -0.155 -4.131 -18.962) 19.408 7.249 ( -0.155 -4.131 18.962) 19.408 9.614 ( -11.663 0.255 -8.778) 14.600 9.614 ( -11.663 0.255 8.778) 14.600 10.276 ( 19.657 -0.146 -8.253) 21.320 10.276 ( 19.657 -0.146 8.253) 21.320 11.277 ( -0.413 -0.123 -18.511) 18.516 11.277 ( -0.413 -0.123 18.511) 18.516 12.673 ( -1.130 -0.893 -7.672) 7.806 12.673 ( -1.130 -0.893 7.672) 7.806 14.937 ( -6.909 -0.096 -3.571) 7.778 14.937 ( -6.909 -0.096 3.571) 7.778 19.806 ( -1.730 -0.226 -16.596) 16.688 19.806 ( -1.730 -0.226 16.596) 16.688 30.127 ( 6.750 -0.058 -12.117) 13.870 30.127 ( 6.750 -0.058 12.117) 13.870 31.739 ( -1.126 0.505 -79.930) 79.940 31.739 ( -1.126 0.505 79.930) 79.940 84.711 ( -7.836 1.064 -28.217) 29.305 84.711 ( -7.836 1.064 28.217) 29.305 ======================= Grid point 1594 (441/511) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.745 ( 15.513 4.291 -3.770) 16.531 4.745 ( 15.513 4.291 3.770) 16.531 5.698 ( 24.485 6.874 -13.397) 28.745 5.698 ( 24.485 6.874 13.397) 28.745 7.286 ( 1.672 -6.288 -19.584) 20.636 7.286 ( 1.672 -6.288 19.584) 20.636 9.458 ( -4.101 0.716 -8.527) 9.489 9.458 ( -4.101 0.716 8.527) 9.489 10.598 ( 11.451 -0.811 -8.264) 14.145 10.598 ( 11.451 -0.811 8.264) 14.145 11.324 ( 6.651 -0.468 -16.679) 17.962 11.324 ( 6.651 -0.468 16.679) 17.962 12.640 ( -2.890 -1.326 -8.058) 8.662 12.640 ( -2.890 -1.326 8.058) 8.662 14.749 ( -12.109 0.149 -3.683) 12.657 14.749 ( -12.109 0.149 3.683) 12.657 19.760 ( -3.197 -0.373 -15.538) 15.868 19.760 ( -3.197 -0.373 15.538) 15.868 30.313 ( 12.191 -0.093 -11.318) 16.635 30.313 ( 12.191 -0.093 11.318) 16.635 31.706 ( -1.850 0.857 -78.214) 78.240 31.706 ( -1.850 0.857 78.214) 78.240 84.492 ( -13.615 1.691 -30.591) 33.527 84.492 ( -13.615 1.691 30.591) 33.527 ======================= Grid point 1596 (442/511) ======================= q-point: ( 0.19 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.020 ( 16.362 7.539 -11.537) 21.393 5.020 ( 16.362 7.539 11.537) 21.393 6.174 ( 24.466 1.704 -5.152) 25.061 6.174 ( 24.466 1.704 5.152) 25.061 7.393 ( 6.973 -4.740 -18.336) 20.182 7.393 ( 6.973 -4.740 18.336) 20.182 9.457 ( 4.724 1.295 -6.526) 8.160 9.457 ( 4.724 1.295 6.526) 8.160 10.712 ( 1.569 -1.293 -8.229) 8.477 10.712 ( 1.569 -1.293 8.229) 8.477 11.520 ( 10.215 -1.631 -15.944) 19.006 11.520 ( 10.215 -1.631 15.944) 19.006 12.582 ( -3.160 -0.833 -7.126) 7.839 12.582 ( -3.160 -0.833 7.126) 7.839 14.492 ( -13.423 0.696 -3.638) 13.924 14.492 ( -13.423 0.696 3.638) 13.924 19.689 ( -4.324 -0.427 -13.848) 14.513 19.689 ( -4.324 -0.427 13.848) 14.513 30.583 ( 15.230 -0.085 -8.407) 17.397 30.583 ( 15.230 -0.085 8.407) 17.397 31.665 ( -1.820 0.966 -73.994) 74.022 31.665 ( -1.820 0.966 73.994) 74.022 84.190 ( -16.230 1.682 -33.150) 36.949 84.190 ( -16.230 1.682 33.150) 36.949 ======================= Grid point 1598 (443/511) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.318 ( 18.303 6.682 -13.788) 23.869 5.318 ( 18.303 6.682 13.788) 23.869 6.550 ( 13.222 -4.225 -8.836) 16.455 6.550 ( 13.222 -4.225 8.836) 16.455 7.600 ( 12.313 -0.388 -13.149) 18.018 7.600 ( 12.313 -0.388 13.149) 18.018 9.624 ( 12.710 1.766 -2.639) 13.101 9.624 ( 12.710 1.766 2.639) 13.101 10.742 ( 2.483 -0.768 -6.641) 7.132 10.742 ( 2.483 -0.768 6.641) 7.132 11.618 ( -2.974 -3.181 -19.949) 20.418 11.618 ( -2.974 -3.181 19.949) 20.418 12.550 ( -0.298 0.368 -3.168) 3.203 12.550 ( -0.298 0.368 3.168) 3.203 14.264 ( -8.624 1.070 -2.989) 9.190 14.264 ( -8.624 1.070 2.989) 9.190 19.599 ( -5.150 -0.431 -11.632) 12.728 19.599 ( -5.150 -0.431 11.632) 12.728 30.880 ( 14.939 -0.028 -0.819) 14.961 30.880 ( 14.939 -0.028 0.819) 14.961 31.634 ( -0.556 0.839 -63.460) 63.468 31.634 ( -0.556 0.839 63.460) 63.468 83.870 ( -15.759 1.159 -34.955) 38.361 83.870 ( -15.759 1.159 34.955) 38.361 ======================= Grid point 1600 (444/511) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.658 ( 19.063 2.846 -12.379) 22.907 5.658 ( 19.063 2.846 12.379) 22.907 6.752 ( 6.200 -6.262 -15.458) 17.794 6.752 ( 6.200 -6.262 15.458) 17.794 7.819 ( 9.736 2.545 -8.441) 13.135 7.819 ( 9.736 2.545 8.441) 13.135 9.875 ( 12.188 1.231 -5.548) 13.447 9.875 ( 12.188 1.231 5.548) 13.447 10.862 ( 10.788 1.222 -5.367) 12.111 10.862 ( 10.788 1.222 5.367) 12.111 11.447 ( -14.683 -3.257 -25.079) 29.243 11.447 ( -14.683 -3.257 25.079) 29.243 12.528 ( -2.909 0.684 -2.812) 4.103 12.528 ( -2.909 0.684 2.812) 4.103 14.180 ( 0.517 0.814 -2.049) 2.265 14.180 ( 0.517 0.814 2.049) 2.265 19.497 ( -5.554 -0.415 -9.021) 10.602 19.497 ( -5.554 -0.415 9.021) 10.602 31.131 ( 10.326 0.067 -25.530) 27.539 31.131 ( 10.326 0.067 25.530) 27.539 31.649 ( 2.833 0.557 -37.288) 37.400 31.649 ( 2.833 0.557 37.288) 37.400 83.585 ( -13.035 0.467 -35.712) 38.019 83.585 ( -13.035 0.467 35.712) 38.019 ======================= Grid point 1602 (445/511) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.006 ( 16.553 -1.689 -9.204) 19.015 6.006 ( 16.553 -1.689 9.204) 19.015 6.886 ( 5.547 -4.361 -18.546) 19.843 6.886 ( 5.547 -4.361 18.546) 19.843 7.927 ( 2.925 3.652 -6.852) 8.297 7.927 ( 2.925 3.652 6.852) 8.297 10.047 ( 6.535 0.182 -12.939) 14.496 10.047 ( 6.535 0.182 12.939) 14.496 11.026 ( -7.267 1.140 -8.549) 11.278 11.026 ( -7.267 1.140 8.549) 11.278 11.258 ( 8.078 -0.477 -23.037) 24.417 11.258 ( 8.078 -0.477 23.037) 24.417 12.417 ( -7.948 0.346 -5.518) 9.682 12.417 ( -7.948 0.346 5.518) 9.682 14.251 ( 5.903 0.221 -2.183) 6.298 14.251 ( 5.903 0.221 2.183) 6.298 19.394 ( -5.072 -0.354 -6.147) 7.977 19.394 ( -5.072 -0.354 6.147) 7.977 31.264 ( 3.821 0.118 -60.559) 60.680 31.264 ( 3.821 0.118 60.559) 60.680 31.740 ( 6.162 0.282 -1.494) 6.347 31.740 ( 6.162 0.282 1.494) 6.347 83.369 ( -9.058 -0.033 -35.670) 36.802 83.369 ( -9.058 -0.033 35.670) 36.802 ======================= Grid point 1604 (446/511) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.278 ( 9.400 -3.507 -4.516) 11.003 6.278 ( 9.400 -3.507 4.516) 11.003 7.018 ( 6.258 -1.398 -17.651) 18.780 7.018 ( 6.258 -1.398 17.651) 18.780 7.907 ( -2.521 3.040 -5.182) 6.515 7.907 ( -2.521 3.040 5.182) 6.515 10.166 ( 6.568 -0.101 -17.149) 18.364 10.166 ( 6.568 -0.101 17.149) 18.364 10.737 ( -15.490 -0.365 -20.127) 25.401 10.737 ( -15.490 -0.365 20.127) 25.401 11.572 ( 17.299 1.798 -10.413) 20.271 11.572 ( 17.299 1.798 10.413) 20.271 12.238 ( -10.016 -0.212 -7.134) 12.299 12.238 ( -10.016 -0.212 7.134) 12.299 14.362 ( 4.768 -0.082 -2.270) 5.281 14.362 ( 4.768 -0.082 2.270) 5.281 19.314 ( -3.161 -0.212 -3.114) 4.442 19.314 ( -3.161 -0.212 3.114) 4.442 31.304 ( 0.876 0.067 -77.038) 77.043 31.304 ( 0.876 0.067 77.038) 77.043 31.849 ( 4.493 0.123 -15.995) 16.615 31.849 ( 4.493 0.123 15.995) 16.615 83.238 ( -4.586 -0.158 -35.333) 35.630 83.238 ( -4.586 -0.158 35.333) 35.630 ======================= Grid point 1606 (447/511) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 456 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.380 ( 0.000 -0.000 -1.024) 1.024 6.380 ( 0.000 -0.000 1.024) 1.024 7.096 ( 0.000 -0.000 -16.150) 16.150 7.096 ( 0.000 -0.000 16.150) 16.150 7.859 ( 0.000 -0.000 -1.417) 1.417 7.859 ( 0.000 0.000 1.417) 1.417 10.267 ( 0.000 -0.000 -12.998) 12.998 10.267 ( 0.000 -0.000 12.998) 12.998 10.545 ( 0.000 -0.000 -15.957) 15.957 10.545 ( 0.000 -0.000 15.957) 15.957 11.782 ( 0.000 -0.000 -6.777) 6.777 11.782 ( 0.000 -0.000 6.777) 6.777 12.098 ( 0.000 0.000 -7.830) 7.830 12.098 ( 0.000 0.000 7.830) 7.830 14.411 ( 0.000 -0.000 -2.209) 2.209 14.411 ( 0.000 0.000 2.209) 2.209 19.282 ( 0.000 -0.000 -0.011) 0.011 19.282 ( 0.000 -0.000 0.011) 0.011 31.311 ( 0.000 -0.000 -80.589) 80.589 31.311 ( 0.000 -0.000 80.589) 80.589 31.894 ( 0.000 -0.000 -19.771) 19.771 31.894 ( 0.000 -0.000 19.771) 19.771 83.194 ( 0.000 -0.000 -35.159) 35.159 83.194 ( 0.000 -0.000 35.159) 35.159 ======================= Grid point 1626 (448/511) ======================= q-point: ( 0.06 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.766 ( 16.140 -0.000 -0.948) 16.168 4.766 ( 16.140 -0.000 0.948) 16.168 5.733 ( 22.909 -0.000 -14.048) 26.873 5.733 ( 22.909 -0.000 14.048) 26.873 7.254 ( 2.222 -0.000 -19.456) 19.582 7.254 ( 2.222 -0.000 19.456) 19.582 9.461 ( -4.046 0.000 -8.409) 9.332 9.461 ( -4.046 0.000 8.409) 9.332 10.594 ( 11.342 -0.000 -8.162) 13.973 10.594 ( 11.342 -0.000 8.162) 13.973 11.322 ( 6.554 -0.000 -16.766) 18.001 11.322 ( 6.554 -0.000 16.766) 18.001 12.634 ( -2.735 0.000 -7.908) 8.368 12.634 ( -2.735 0.000 7.908) 8.368 14.750 ( -12.016 0.000 -3.322) 12.467 14.750 ( -12.016 0.000 3.322) 12.467 19.758 ( -3.176 0.000 -15.705) 16.023 19.758 ( -3.176 0.000 15.705) 16.023 30.312 ( 12.198 -0.000 -11.333) 16.650 30.312 ( 12.198 -0.000 11.333) 16.650 31.710 ( -1.894 0.000 -78.202) 78.225 31.710 ( -1.894 0.000 78.202) 78.225 84.500 ( -13.740 0.000 -29.991) 32.988 84.500 ( -13.740 0.000 29.991) 32.988 ======================= Grid point 1628 (449/511) ======================= q-point: ( 0.12 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.071 ( 16.117 2.669 -8.759) 18.536 5.071 ( 16.117 2.669 8.759) 18.536 6.187 ( 21.941 0.713 -3.228) 22.189 6.187 ( 21.941 0.713 3.228) 22.189 7.359 ( 8.747 -1.818 -18.461) 20.509 7.359 ( 8.747 -1.818 18.461) 20.509 9.466 ( 4.813 0.475 -6.383) 8.008 9.466 ( 4.813 0.475 6.383) 8.008 10.703 ( 1.671 -0.474 -8.129) 8.313 10.703 ( 1.671 -0.474 8.129) 8.313 11.509 ( 9.797 -0.568 -16.211) 18.950 11.509 ( 9.797 -0.568 16.211) 18.950 12.577 ( -2.702 -0.277 -6.684) 7.214 12.577 ( -2.702 -0.277 6.684) 7.214 14.497 ( -13.301 0.235 -3.078) 13.654 14.497 ( -13.301 0.235 3.078) 13.654 19.686 ( -4.286 -0.148 -14.120) 14.757 19.686 ( -4.286 -0.148 14.120) 14.757 30.582 ( 15.250 -0.030 -8.484) 17.452 30.582 ( 15.250 -0.030 8.484) 17.452 31.671 ( -1.925 0.339 -74.027) 74.053 31.671 ( -1.925 0.339 74.027) 74.053 84.201 ( -16.511 0.590 -32.384) 36.355 84.201 ( -16.511 0.590 32.384) 36.355 ======================= Grid point 1630 (450/511) ======================= q-point: ( 0.19 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.370 ( 16.786 3.831 -12.313) 21.168 5.370 ( 16.786 3.831 12.313) 21.168 6.516 ( 11.692 -2.499 -8.354) 14.586 6.516 ( 11.692 -2.499 8.354) 14.586 7.597 ( 13.995 -0.210 -13.367) 19.354 7.597 ( 13.995 -0.210 13.367) 19.354 9.638 ( 12.625 0.974 -2.243) 12.860 9.638 ( 12.625 0.974 2.243) 12.860 10.736 ( 3.038 -0.430 -6.514) 7.201 10.736 ( 3.038 -0.430 6.514) 7.201 11.594 ( -3.103 -1.721 -20.204) 20.513 11.594 ( -3.103 -1.721 20.204) 20.513 12.553 ( 0.026 0.196 -2.533) 2.541 12.553 ( 0.026 0.196 2.533) 2.541 14.272 ( -8.669 0.572 -2.476) 9.034 14.272 ( -8.669 0.572 2.476) 9.034 19.596 ( -5.113 -0.231 -11.917) 12.970 19.596 ( -5.113 -0.231 11.917) 12.970 30.880 ( 14.972 -0.016 -0.513) 14.981 30.880 ( 14.972 -0.016 0.513) 14.981 31.641 ( -0.710 0.454 -63.634) 63.639 31.641 ( -0.710 0.454 63.634) 63.639 83.879 ( -16.118 0.627 -34.348) 37.947 83.879 ( -16.118 0.627 34.348) 37.947 ======================= Grid point 1632 (451/511) ======================= q-point: ( 0.25 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.682 ( 16.890 2.053 -11.824) 20.719 5.682 ( 16.890 2.053 11.824) 20.719 6.700 ( 6.770 -4.229 -15.950) 17.836 6.700 ( 6.770 -4.229 15.950) 17.836 7.839 ( 10.318 1.602 -8.597) 13.526 7.839 ( 10.318 1.602 8.597) 13.526 9.885 ( 11.647 0.842 -5.390) 12.862 9.885 ( 11.647 0.842 5.390) 12.862 10.872 ( 11.832 0.840 -5.245) 12.969 10.872 ( 11.832 0.840 5.245) 12.969 11.420 ( -14.313 -2.212 -25.344) 29.190 11.420 ( -14.313 -2.212 25.344) 29.190 12.534 ( -3.016 0.433 -2.562) 3.981 12.534 ( -3.016 0.433 2.563) 3.981 14.187 ( 0.242 0.550 -1.544) 1.657 14.187 ( 0.242 0.550 1.544) 1.657 19.493 ( -5.518 -0.276 -9.231) 10.758 19.493 ( -5.518 -0.276 9.231) 10.758 31.132 ( 10.363 0.044 -25.045) 27.105 31.132 ( 10.363 0.044 25.045) 27.105 31.654 ( 2.666 0.373 -37.703) 37.799 31.654 ( 2.666 0.373 37.703) 37.799 83.589 ( -13.340 0.312 -35.385) 37.818 83.589 ( -13.340 0.312 35.385) 37.818 ======================= Grid point 1634 (452/511) ======================= q-point: ( 0.31 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.991 ( 14.813 -1.321 -8.522) 17.140 5.991 ( 14.813 -1.321 8.522) 17.140 6.849 ( 7.165 -3.127 -18.802) 20.363 6.849 ( 7.165 -3.127 18.802) 20.363 7.958 ( 2.900 2.584 -6.585) 7.645 7.958 ( 2.900 2.584 6.585) 7.645 10.050 ( 6.316 0.295 -12.868) 14.338 10.050 ( 6.316 0.295 12.868) 14.338 11.032 ( -10.500 0.251 -11.638) 15.676 11.032 ( -10.500 0.251 11.638) 15.676 11.257 ( 12.057 0.151 -20.701) 23.957 11.257 ( 12.057 0.151 20.701) 23.957 12.420 ( -8.200 0.224 -5.666) 9.969 12.420 ( -8.200 0.224 5.666) 9.969 14.253 ( 5.661 0.180 -1.580) 5.881 14.253 ( 5.661 0.180 1.580) 5.881 19.391 ( -5.014 -0.271 -6.233) 8.003 19.391 ( -5.014 -0.271 6.233) 8.003 31.265 ( 3.811 0.090 -60.191) 60.311 31.265 ( 3.811 0.090 60.191) 60.311 31.742 ( 6.056 0.216 -1.653) 6.281 31.742 ( 6.056 0.216 1.653) 6.281 83.369 ( -9.202 -0.025 -35.576) 36.747 83.369 ( -9.202 -0.025 35.576) 36.747 ======================= Grid point 1636 (453/511) ======================= q-point: ( 0.38 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.246 ( 9.950 -2.928 -3.351) 10.900 6.246 ( 9.950 -2.928 3.351) 10.900 7.005 ( 7.258 -1.184 -17.518) 18.999 7.005 ( 7.258 -1.184 17.518) 18.999 7.934 ( -3.392 2.463 -5.001) 6.526 7.934 ( -3.392 2.463 5.001) 6.526 10.167 ( 6.755 0.305 -17.006) 18.301 10.167 ( 6.755 0.305 17.006) 18.301 10.731 ( -15.517 -0.725 -21.537) 26.554 10.731 ( -15.517 -0.725 21.537) 26.554 11.590 ( 17.087 1.686 -9.741) 19.741 11.590 ( 17.087 1.686 9.741) 19.741 12.235 ( -10.323 -0.277 -7.549) 12.792 12.235 ( -10.323 -0.277 7.549) 12.792 14.362 ( 4.739 -0.056 -1.903) 5.107 14.362 ( 4.739 -0.056 1.903) 5.107 19.312 ( -3.069 -0.179 -3.082) 4.353 19.312 ( -3.069 -0.179 3.082) 4.353 31.304 ( 0.842 0.056 -76.924) 76.929 31.304 ( 0.842 0.056 76.924) 76.929 31.850 ( 4.429 0.104 -15.906) 16.511 31.850 ( 4.429 0.104 15.906) 16.511 83.237 ( -4.558 -0.134 -35.340) 35.633 83.237 ( -4.558 -0.134 35.340) 35.633 ======================= Grid point 1638 (454/511) ======================= q-point: ( 0.44 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.380 ( 2.460 0.008 -2.035) 3.193 6.380 ( 2.460 0.008 2.035) 3.193 7.095 ( 0.429 -0.202 -16.227) 16.234 7.095 ( 0.429 -0.202 16.227) 16.234 7.860 ( -1.868 0.112 -1.374) 2.322 7.860 ( -1.868 0.112 1.374) 2.322 10.271 ( 0.303 0.871 -12.469) 12.503 10.271 ( 0.303 0.871 12.469) 12.503 10.541 ( -0.017 -0.828 -15.372) 15.394 10.541 ( -0.017 -0.828 15.372) 15.394 11.783 ( -1.578 0.155 -6.633) 6.820 11.783 ( -1.578 0.155 6.633) 6.820 12.097 ( 0.653 -0.151 -7.470) 7.500 12.097 ( 0.653 -0.151 7.470) 7.500 14.412 ( 0.088 0.019 -2.233) 2.234 14.412 ( 0.088 0.019 2.233) 2.234 19.282 ( 0.112 0.001 -0.083) 0.140 19.282 ( 0.112 0.001 0.083) 0.140 31.311 ( -0.032 -0.001 -80.588) 80.588 31.311 ( -0.032 -0.001 80.588) 80.588 31.894 ( -0.060 0.000 -19.769) 19.769 31.894 ( -0.060 0.000 19.769) 19.769 83.194 ( 0.106 -0.000 -35.159) 35.159 83.194 ( 0.106 -0.000 35.159) 35.159 ======================= Grid point 1640 (455/511) ======================= q-point: (-0.50 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.313 ( -8.839 3.577 -5.658) 11.087 6.313 ( -8.839 3.577 5.658) 11.087 7.031 ( -4.948 1.399 -17.811) 18.539 7.031 ( -4.948 1.399 17.811) 18.539 7.876 ( 1.392 -3.194 -5.140) 6.209 7.876 ( 1.392 -3.194 5.140) 6.209 10.170 ( -6.522 0.597 -17.261) 18.462 10.170 ( -6.522 0.597 17.262) 18.462 10.738 ( 15.512 -0.169 -18.370) 24.044 10.738 ( 15.512 -0.169 18.370) 24.044 11.555 ( -17.470 -1.599 -11.271) 20.852 11.555 ( -17.470 -1.599 11.271) 20.852 12.239 ( 9.725 0.101 -6.497) 11.696 12.239 ( 9.725 0.101 6.497) 11.696 14.363 ( -4.801 0.100 -2.648) 5.483 14.363 ( -4.801 0.100 2.648) 5.483 19.316 ( 3.261 0.212 -3.147) 4.537 19.316 ( 3.261 0.212 3.147) 4.537 31.303 ( -0.914 -0.068 -77.159) 77.165 31.303 ( -0.914 -0.068 77.159) 77.165 31.848 ( -4.562 -0.122 -16.086) 16.721 31.848 ( -4.562 -0.122 16.086) 16.721 83.240 ( 4.616 0.158 -35.324) 35.625 83.240 ( 4.616 0.158 35.324) 35.625 ======================= Grid point 1642 (456/511) ======================= q-point: (-0.44 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.023 ( -18.568 1.784 -9.895) 21.116 6.023 ( -18.568 1.784 9.895) 21.116 6.933 ( -3.591 5.155 -18.184) 19.239 6.933 ( -3.591 5.155 18.184) 19.239 7.888 ( -3.007 -4.388 -6.995) 8.787 7.888 ( -3.007 -4.388 6.995) 8.787 10.046 ( -6.900 0.058 -12.986) 14.705 10.046 ( -6.900 0.058 12.986) 14.705 11.010 ( 3.733 -2.072 -5.931) 7.308 11.010 ( 3.733 -2.072 5.931) 7.308 11.267 ( -3.600 1.179 -25.121) 25.405 11.267 ( -3.600 1.179 25.121) 25.405 12.413 ( 7.664 -0.439 -5.190) 9.266 12.413 ( 7.664 -0.439 5.190) 9.266 14.248 ( -6.187 -0.221 -2.808) 6.798 14.248 ( -6.187 -0.221 2.808) 6.798 19.398 ( 5.140 0.384 -6.044) 7.943 19.398 ( 5.140 0.384 6.044) 7.943 31.263 ( -3.833 -0.130 -60.993) 61.113 31.263 ( -3.833 -0.130 60.993) 61.113 31.737 ( -6.286 -0.304 -1.278) 6.422 31.737 ( -6.286 -0.304 1.278) 6.422 83.370 ( 8.886 0.035 -35.779) 36.866 83.370 ( 8.886 0.035 35.779) 36.866 ======================= Grid point 1644 (457/511) ======================= q-point: (-0.38 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.628 ( -21.684 -3.075 -12.945) 25.440 5.628 ( -21.684 -3.075 12.945) 25.440 6.820 ( -5.758 7.411 -14.667) 17.412 6.820 ( -5.758 7.411 14.667) 17.412 7.790 ( -8.870 -3.286 -8.121) 12.467 7.790 ( -8.870 -3.286 8.121) 12.467 9.862 ( -12.939 -1.413 -5.699) 14.209 9.862 ( -12.939 -1.413 5.699) 14.209 10.849 ( -9.423 -1.395 -5.321) 10.911 10.849 ( -9.423 -1.395 5.321) 10.911 11.482 ( 15.206 3.776 -24.735) 29.279 11.482 ( 15.206 3.776 24.735) 29.279 12.520 ( 2.764 -0.865 -2.983) 4.158 12.520 ( 2.764 -0.865 2.983) 4.158 14.171 ( -0.885 -0.947 -2.688) 2.984 14.171 ( -0.885 -0.947 2.688) 2.984 19.501 ( 5.604 0.492 -8.743) 10.396 19.501 ( 5.604 0.492 8.743) 10.396 31.131 ( -10.276 -0.081 -26.170) 28.116 31.131 ( -10.276 -0.081 26.170) 28.116 31.643 ( -3.051 -0.656 -36.732) 36.864 31.643 ( -3.051 -0.656 36.732) 36.864 83.580 ( 12.636 -0.552 -36.133) 38.283 83.580 ( 12.636 -0.552 36.133) 38.283 ======================= Grid point 1646 (458/511) ======================= q-point: (-0.31 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.244 ( -20.524 -8.128 -15.110) 26.751 5.244 ( -20.524 -8.128 15.110) 26.751 6.596 ( -15.546 4.928 -8.843) 18.552 6.596 ( -15.546 4.928 8.843) 18.552 7.605 ( -9.841 0.504 -12.772) 16.131 7.605 ( -9.841 0.504 12.772) 16.131 9.604 ( -12.799 -2.251 -2.939) 13.324 9.604 ( -12.799 -2.251 2.939) 13.324 10.751 ( -1.708 0.957 -6.716) 6.996 10.751 ( -1.708 0.957 6.716) 6.996 11.655 ( 2.791 4.162 -19.505) 20.138 11.655 ( 2.791 4.162 19.505) 20.138 12.546 ( 0.832 -0.491 -4.027) 4.141 12.546 ( 0.832 -0.491 4.027) 4.141 14.252 ( 8.534 -1.426 -3.584) 9.365 14.252 ( 8.534 -1.426 3.584) 9.365 19.604 ( 5.207 0.571 -11.202) 12.366 19.604 ( 5.207 0.571 11.202) 12.366 30.881 ( -14.888 0.035 -1.195) 14.936 30.881 ( -14.888 0.035 1.195) 14.936 31.625 ( 0.324 -1.097 -63.191) 63.202 31.625 ( 0.324 -1.097 63.191) 63.202 83.856 ( 15.222 -1.517 -35.848) 38.976 83.856 ( 15.222 -1.517 35.848) 38.976 ======================= Grid point 1648 (459/511) ======================= q-point: (-0.25 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.927 ( -17.157 -11.093 -14.649) 25.140 4.927 ( -17.157 -11.093 14.649) 25.140 6.156 ( -28.185 -1.872 -7.019) 29.106 6.156 ( -28.185 -1.872 7.019) 29.106 7.447 ( -4.370 6.095 -17.928) 19.434 7.447 ( -4.370 6.095 17.928) 19.434 9.441 ( -4.521 -1.787 -6.636) 8.226 9.441 ( -4.521 -1.787 6.636) 8.226 10.728 ( -1.413 1.789 -8.313) 8.620 10.728 ( -1.413 1.789 8.313) 8.620 11.540 ( -10.962 2.468 -15.400) 19.064 11.540 ( -10.962 2.468 15.400) 19.064 12.593 ( 4.042 1.373 -7.978) 9.048 12.593 ( 4.042 1.373 7.978) 9.048 14.483 ( 13.628 -1.118 -4.426) 14.372 14.483 ( 13.628 -1.118 4.426) 14.372 19.694 ( 4.396 0.653 -13.341) 14.062 19.694 ( 4.396 0.653 13.341) 14.062 30.584 ( -15.193 0.127 -8.260) 17.294 30.584 ( -15.193 0.127 8.260) 17.294 31.652 ( 1.623 -1.450 -73.928) 73.960 31.652 ( 1.623 -1.450 73.928) 73.960 84.169 ( 15.711 -2.521 -34.532) 38.021 84.169 ( 15.711 -2.521 34.532) 38.021 ======================= Grid point 1650 (460/511) ======================= q-point: (-0.19 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.680 ( -14.006 -8.893 -8.156) 18.487 4.680 ( -14.006 -8.893 8.156) 18.487 5.611 ( -28.411 -9.888 -11.612) 32.245 5.611 ( -28.411 -9.888 11.612) 32.245 7.367 ( -0.437 9.522 -19.559) 21.758 7.367 ( -0.437 9.522 19.559) 21.758 9.448 ( 4.272 -1.146 -8.754) 9.808 9.448 ( 4.272 -1.146 8.754) 9.808 10.609 ( -11.747 1.378 -8.450) 14.536 10.609 ( -11.747 1.378 8.450) 14.536 11.331 ( -6.928 0.935 -16.420) 17.846 11.331 ( -6.928 0.935 16.420) 17.846 12.660 ( 3.342 2.582 -8.517) 9.507 12.660 ( 3.342 2.582 8.517) 9.507 14.747 ( 12.362 -0.368 -4.543) 13.176 14.747 ( 12.362 -0.368 4.543) 13.176 19.765 ( 3.260 0.705 -15.057) 15.422 19.765 ( 3.260 0.705 15.057) 15.422 30.314 ( -12.171 0.172 -11.274) 16.591 30.314 ( -12.171 0.172 11.274) 16.591 31.694 ( 1.725 -1.590 -78.245) 78.280 31.694 ( 1.725 -1.590 78.245) 78.280 84.468 ( 13.256 -3.128 -32.252) 35.010 84.468 ( 13.256 -3.128 32.252) 35.010 ======================= Grid point 1652 (461/511) ======================= q-point: (-0.12 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.459 ( -11.176 -2.387 -11.854) 16.466 4.459 ( -11.176 -2.387 11.854) 16.466 5.252 ( -14.442 -16.596 -24.349) 32.816 5.252 ( -14.442 -16.596 24.349) 32.816 7.322 ( 0.517 9.977 -19.466) 21.880 7.322 ( 0.517 9.977 19.466) 21.880 9.610 ( 11.803 -0.622 -9.046) 14.883 9.610 ( 11.803 -0.622 9.046) 14.883 10.278 ( -19.915 0.414 -8.569) 21.684 10.278 ( -19.915 0.414 8.569) 21.684 11.279 ( 0.336 0.366 -18.457) 18.463 11.279 ( 0.336 0.366 18.457) 18.463 12.691 ( 1.283 2.633 -7.864) 8.392 12.691 ( 1.283 2.633 7.864) 8.392 14.939 ( 7.035 0.204 -4.308) 8.251 14.939 ( 7.035 0.204 4.308) 8.251 19.811 ( 1.759 0.655 -16.233) 16.341 19.811 ( 1.759 0.655 16.233) 16.341 30.128 ( -6.743 0.166 -12.117) 13.868 30.128 ( -6.743 0.166 12.117) 13.868 31.729 ( 1.078 -1.443 -79.988) 80.008 31.729 ( 1.078 -1.443 79.988) 80.008 84.690 ( 7.691 -3.032 -29.722) 30.850 84.690 ( 7.691 -3.032 29.722) 30.850 ======================= Grid point 1654 (462/511) ======================= q-point: (-0.06 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.341 ( 0.000 -0.129 -18.084) 18.084 4.341 ( 0.000 -0.129 18.084) 18.084 5.199 ( 0.000 -14.363 -29.866) 33.140 5.199 ( 0.000 -14.363 29.866) 33.140 7.283 ( -0.000 7.935 -19.012) 20.602 7.283 ( -0.000 7.935 19.012) 20.602 9.885 ( 0.000 -0.143 -1.785) 1.790 9.885 ( 0.000 -0.143 1.785) 1.790 9.919 ( 0.000 -0.162 -15.755) 15.756 9.919 ( 0.000 -0.162 15.755) 15.756 11.288 ( -0.000 0.159 -19.056) 19.057 11.288 ( -0.000 0.159 19.056) 19.057 12.690 ( -0.000 1.928 -7.486) 7.731 12.690 ( -0.000 1.928 7.486) 7.731 15.006 ( -0.000 0.301 -3.929) 3.940 15.006 ( -0.000 0.301 3.929) 3.940 19.825 ( -0.000 0.476 -16.767) 16.774 19.825 ( -0.000 0.476 16.767) 16.774 30.061 ( -0.000 0.121 -12.260) 12.260 30.061 ( -0.000 0.121 12.260) 12.260 31.746 ( 0.000 -1.041 -80.434) 80.441 31.746 ( 0.000 -1.041 80.434) 80.441 84.780 ( 0.000 -2.235 -28.084) 28.173 84.780 ( 0.000 -2.235 28.084) 28.173 ======================= Grid point 1660 (463/511) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.390 ( 16.247 -0.000 -11.599) 19.962 5.390 ( 16.247 -0.000 11.599) 19.962 6.503 ( 11.160 -0.000 -8.031) 13.749 6.503 ( 11.160 -0.000 8.031) 13.749 7.596 ( 14.591 -0.000 -13.437) 19.836 7.596 ( 14.591 -0.000 13.437) 19.836 9.642 ( 12.590 -0.000 -2.046) 12.755 9.642 ( 12.590 -0.000 2.046) 12.755 10.734 ( 3.241 -0.000 -6.451) 7.220 10.734 ( 3.241 -0.000 6.451) 7.220 11.585 ( -3.151 0.000 -20.287) 20.531 11.585 ( -3.151 0.000 20.287) 20.531 12.554 ( 0.133 -0.000 -2.287) 2.291 12.554 ( 0.133 -0.000 2.287) 2.291 14.275 ( -8.682 0.000 -2.261) 8.972 14.275 ( -8.682 0.000 2.261) 8.972 19.594 ( -5.101 0.000 -12.017) 13.055 19.594 ( -5.101 0.000 12.017) 13.055 30.880 ( 14.984 -0.000 -0.373) 14.989 30.880 ( 14.984 -0.000 0.373) 14.989 31.643 ( -0.764 0.000 -63.694) 63.698 31.643 ( -0.764 0.000 63.694) 63.698 83.882 ( -16.244 0.000 -34.132) 37.800 83.882 ( -16.244 0.000 34.132) 37.800 ======================= Grid point 1662 (464/511) ======================= q-point: ( 0.19 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.696 ( 15.636 0.755 -11.459) 19.400 5.696 ( 15.636 0.755 11.459) 19.400 6.671 ( 7.175 -1.501 -16.184) 17.767 6.671 ( 7.175 -1.501 16.184) 17.767 7.850 ( 10.609 0.546 -8.659) 13.704 7.850 ( 10.609 0.546 8.659) 13.704 9.891 ( 11.368 0.300 -5.283) 12.539 9.891 ( 11.368 0.300 5.283) 12.539 10.878 ( 12.398 0.300 -5.114) 13.415 10.878 ( 12.398 0.300 5.114) 13.415 11.405 ( -14.125 -0.785 -25.496) 29.158 11.405 ( -14.125 -0.785 25.496) 29.158 12.536 ( -3.073 0.148 -2.385) 3.892 12.536 ( -3.073 0.148 2.385) 3.892 14.191 ( 0.095 0.194 -1.257) 1.275 14.191 ( 0.095 0.194 1.257) 1.275 19.491 ( -5.498 -0.097 -9.345) 10.843 19.491 ( -5.498 -0.097 9.345) 10.843 31.132 ( 10.384 0.015 -24.784) 26.872 31.132 ( 10.384 0.015 24.784) 26.872 31.656 ( 2.576 0.131 -37.924) 38.012 31.656 ( 2.576 0.131 37.924) 38.012 83.591 ( -13.504 0.109 -35.207) 37.708 83.591 ( -13.504 0.109 35.207) 37.708 ======================= Grid point 1664 (465/511) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.981 ( 13.637 -0.725 -8.004) 15.828 5.981 ( 13.637 -0.725 8.004) 15.829 6.825 ( 8.234 -1.626 -18.955) 20.730 6.825 ( 8.234 -1.626 18.955) 20.730 7.978 ( 2.897 1.332 -6.353) 7.108 7.978 ( 2.897 1.332 6.353) 7.108 10.052 ( 6.216 0.217 -12.803) 14.233 10.052 ( 6.216 0.217 12.803) 14.233 11.032 ( -12.449 -0.102 -13.901) 18.661 11.032 ( -12.449 -0.102 13.901) 18.661 11.260 ( 14.477 0.281 -19.055) 23.932 11.260 ( 14.477 0.281 19.055) 23.932 12.422 ( -8.375 0.106 -5.727) 10.147 12.422 ( -8.375 0.106 5.727) 10.147 14.254 ( 5.499 0.102 -1.080) 5.605 14.254 ( 5.499 0.102 1.080) 5.605 19.389 ( -4.975 -0.147 -6.289) 8.020 19.389 ( -4.975 -0.147 6.289) 8.020 31.266 ( 3.805 0.048 -59.944) 60.064 31.266 ( 3.805 0.048 59.944) 60.064 31.744 ( 5.984 0.117 -1.750) 6.236 31.744 ( 5.984 0.117 1.750) 6.236 83.369 ( -9.299 -0.014 -35.512) 36.709 83.369 ( -9.299 -0.014 35.512) 36.709 ======================= Grid point 1666 (466/511) ======================= q-point: ( 0.31 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.222 ( 10.385 -1.937 -2.232) 10.797 6.222 ( 10.385 -1.937 2.232) 10.797 6.995 ( 7.912 -0.789 -17.420) 19.149 6.995 ( 7.912 -0.789 17.420) 19.149 7.954 ( -3.967 1.590 -4.765) 6.401 7.954 ( -3.967 1.590 4.765) 6.401 10.171 ( 7.001 0.412 -16.886) 18.284 10.171 ( 7.001 0.412 16.886) 18.284 10.724 ( -15.585 -0.703 -22.498) 27.378 10.724 ( -15.585 -0.703 22.498) 27.378 11.604 ( 16.901 1.213 -9.270) 19.314 11.604 ( 16.901 1.213 9.270) 19.314 12.233 ( -10.587 -0.241 -7.815) 13.162 12.233 ( -10.587 -0.241 7.815) 13.162 14.361 ( 4.717 -0.030 -1.604) 4.983 14.361 ( 4.717 -0.030 1.604) 4.983 19.310 ( -2.998 -0.119 -3.057) 4.283 19.310 ( -2.998 -0.119 3.057) 4.283 31.305 ( 0.815 0.037 -76.836) 76.840 31.305 ( 0.815 0.037 76.836) 76.840 31.851 ( 4.380 0.070 -15.834) 16.429 31.851 ( 4.380 0.070 15.834) 16.429 83.235 ( -4.537 -0.090 -35.345) 35.635 83.235 ( -4.537 -0.090 35.345) 35.635 ======================= Grid point 1668 (467/511) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.380 ( 4.556 0.011 -3.410) 5.691 6.380 ( 4.556 0.011 3.410) 5.691 7.092 ( 0.765 -0.284 -16.411) 16.432 7.092 ( 0.765 -0.284 16.411) 16.432 7.861 ( -3.434 0.157 -1.265) 3.663 7.861 ( -3.434 0.157 1.265) 3.663 10.283 ( 0.587 1.338 -10.574) 10.675 10.283 ( 0.587 1.338 10.574) 10.675 10.530 ( -0.059 -1.278 -13.364) 13.425 10.530 ( -0.059 -1.278 13.364) 13.425 11.785 ( -2.945 0.221 -5.774) 6.485 11.785 ( -2.945 0.221 5.774) 6.485 12.095 ( 1.235 -0.215 -6.232) 6.357 12.095 ( 1.235 -0.215 6.232) 6.357 14.412 ( 0.162 0.027 -2.287) 2.293 14.412 ( 0.162 0.027 2.287) 2.293 19.282 ( 0.207 0.002 -0.152) 0.257 19.282 ( 0.207 0.002 0.152) 0.257 31.310 ( -0.060 -0.001 -80.587) 80.587 31.310 ( -0.060 -0.001 80.587) 80.587 31.894 ( -0.111 0.000 -19.764) 19.765 31.894 ( -0.111 0.000 19.764) 19.765 83.194 ( 0.196 -0.000 -35.159) 35.160 83.194 ( 0.196 -0.000 35.159) 35.160 ======================= Grid point 1670 (468/511) ======================= q-point: (-0.56 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.347 ( -8.365 3.099 -6.695) 11.154 6.347 ( -8.365 3.099 6.695) 11.154 7.044 ( -3.473 1.184 -17.987) 18.357 7.044 ( -3.473 1.184 17.987) 18.358 7.845 ( 0.135 -2.838 -4.744) 5.529 7.845 ( 0.135 -2.838 4.744) 5.529 10.177 ( -6.627 0.910 -17.284) 18.534 10.177 ( -6.627 0.910 17.284) 18.534 10.734 ( 15.576 -0.580 -16.400) 22.625 10.734 ( 15.576 -0.580 16.400) 22.625 11.541 ( -17.559 -1.207 -12.052) 21.332 11.541 ( -17.559 -1.207 12.052) 21.332 12.240 ( 9.487 0.007 -5.505) 10.969 12.240 ( 9.487 0.007 5.505) 10.969 14.364 ( -4.833 0.099 -2.984) 5.681 14.364 ( -4.833 0.099 2.984) 5.681 19.318 ( 3.353 0.181 -3.177) 4.622 19.318 ( 3.353 0.181 3.177) 4.622 31.302 ( -0.948 -0.058 -77.270) 77.276 31.302 ( -0.948 -0.058 77.270) 77.276 31.847 ( -4.625 -0.104 -16.165) 16.813 31.847 ( -4.625 -0.104 16.165) 16.813 83.241 ( 4.644 0.134 -35.316) 35.620 83.241 ( 4.644 0.134 35.316) 35.620 ======================= Grid point 1672 (469/511) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.040 ( -20.540 1.608 -10.487) 23.118 6.040 ( -20.540 1.608 10.487) 23.118 6.985 ( -1.546 5.293 -17.713) 18.551 6.985 ( -1.546 5.293 17.713) 18.551 7.843 ( -3.190 -4.585 -6.820) 8.815 7.843 ( -3.190 -4.585 6.820) 8.815 10.048 ( -7.385 0.288 -13.003) 14.957 10.048 ( -7.385 0.288 13.003) 14.957 10.987 ( 1.060 -2.471 -4.312) 5.081 10.987 ( 1.060 -2.471 4.312) 5.081 11.280 ( 0.097 1.481 -26.287) 26.329 11.280 ( 0.097 1.481 26.287) 26.329 12.409 ( 7.391 -0.464 -4.563) 8.698 12.409 ( 7.391 -0.464 4.563) 8.698 14.246 ( -6.469 -0.188 -3.391) 7.306 14.246 ( -6.469 -0.188 3.391) 7.306 19.402 ( 5.208 0.355 -5.939) 7.907 19.402 ( 5.208 0.355 5.939) 7.907 31.262 ( -3.845 -0.121 -61.426) 61.546 31.262 ( -3.845 -0.121 61.426) 61.546 31.734 ( -6.410 -0.280 -1.012) 6.496 31.734 ( -6.410 -0.280 1.012) 6.496 83.370 ( 8.715 0.032 -35.886) 36.929 83.370 ( 8.715 0.032 35.886) 36.929 ======================= Grid point 1674 (470/511) ======================= q-point: (-0.44 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.599 ( -24.312 -2.832 -13.424) 27.916 5.599 ( -24.312 -2.832 13.424) 27.916 6.895 ( -5.638 7.610 -13.509) 16.498 6.895 ( -5.638 7.610 13.509) 16.498 7.755 ( -7.756 -3.703 -7.519) 11.419 7.755 ( -7.756 -3.703 7.519) 11.419 9.848 ( -13.810 -1.379 -5.825) 15.051 9.848 ( -13.810 -1.379 5.825) 15.051 10.835 ( -7.941 -1.352 -5.030) 9.497 10.835 ( -7.941 -1.352 5.030) 9.497 11.519 ( 15.818 3.724 -24.323) 29.252 11.519 ( 15.818 3.724 24.323) 29.252 12.511 ( 2.596 -0.935 -2.933) 4.027 12.511 ( 2.596 -0.935 2.933) 4.027 14.162 ( -1.293 -0.933 -3.370) 3.728 14.162 ( -1.293 -0.933 3.370) 3.728 19.506 ( 5.659 0.494 -8.440) 10.173 19.506 ( 5.659 0.494 8.440) 10.173 31.130 ( -10.222 -0.084 -26.872) 28.751 31.130 ( -10.222 -0.084 26.872) 28.751 31.637 ( -3.287 -0.654 -36.110) 36.266 31.637 ( -3.287 -0.654 36.110) 36.266 83.574 ( 12.204 -0.554 -36.582) 38.568 83.574 ( 12.204 -0.554 36.582) 38.568 ======================= Grid point 1676 (471/511) ======================= q-point: (-0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.162 ( -23.085 -8.216 -15.968) 29.247 5.162 ( -23.085 -8.216 15.968) 29.247 6.644 ( -18.323 4.768 -8.237) 20.647 6.644 ( -18.323 4.768 8.237) 20.647 7.610 ( -6.999 0.541 -12.242) 14.112 7.610 ( -6.999 0.541 12.242) 14.112 9.581 ( -12.849 -2.374 -2.972) 13.401 9.581 ( -12.849 -2.374 2.972) 13.401 10.761 ( -0.866 0.986 -6.669) 6.797 10.761 ( -0.866 0.986 6.669) 6.797 11.698 ( 2.575 4.517 -18.854) 19.558 11.698 ( 2.575 4.517 18.854) 19.558 12.540 ( 1.551 -0.548 -4.998) 5.262 12.540 ( 1.551 -0.548 4.998) 5.262 14.237 ( 8.390 -1.581 -4.125) 9.482 14.237 ( 8.390 -1.581 4.125) 9.482 19.610 ( 5.280 0.628 -10.691) 11.940 19.610 ( 5.280 0.628 10.691) 11.940 30.881 ( -14.828 0.036 -1.604) 14.914 30.881 ( -14.828 0.036 1.604) 14.914 31.613 ( 0.049 -1.189 -62.860) 62.872 31.613 ( 0.049 -1.189 62.860) 62.872 83.841 ( 14.587 -1.645 -36.878) 39.692 83.841 ( 14.587 -1.645 36.878) 39.692 ======================= Grid point 1678 (472/511) ======================= q-point: (-0.31 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.808 ( -18.661 -12.780 -16.890) 28.228 4.808 ( -18.661 -12.780 16.890) 28.228 6.139 ( -31.770 -1.504 -8.275) 32.864 6.139 ( -31.770 -1.504 8.275) 32.864 7.508 ( -1.913 5.976 -17.141) 18.253 7.508 ( -1.913 5.976 17.141) 18.253 9.423 ( -4.176 -1.893 -6.495) 7.951 9.423 ( -4.176 -1.893 6.495) 7.951 10.746 ( -1.271 1.909 -8.279) 8.591 10.746 ( -1.271 1.909 8.279) 8.591 11.567 ( -11.886 2.937 -14.584) 19.042 11.567 ( -11.886 2.937 14.584) 19.042 12.609 ( 5.263 1.826 -9.177) 10.735 12.609 ( 5.263 1.826 9.177) 10.735 14.471 ( 13.854 -1.445 -5.165) 14.856 14.471 ( 13.854 -1.445 5.165) 14.856 19.701 ( 4.496 0.791 -12.673) 13.470 19.701 ( 4.496 0.791 12.673) 13.470 30.585 ( -15.144 0.148 -8.062) 17.157 30.585 ( -15.144 0.148 8.062) 17.157 31.637 ( 1.364 -1.718 -73.835) 73.868 31.637 ( 1.364 -1.718 73.835) 73.868 84.142 ( 15.031 -2.979 -36.273) 39.377 84.142 ( 15.031 -2.979 36.273) 39.377 ======================= Grid point 1680 (473/511) ======================= q-point: (-0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.571 ( -12.689 -13.165 -12.936) 22.398 4.571 ( -12.689 -13.165 12.936) 22.398 5.516 ( -32.854 -8.986 -9.907) 35.473 5.516 ( -32.854 -8.986 9.907) 35.473 7.463 ( 0.792 9.561 -18.933) 21.225 7.463 ( 0.792 9.561 18.933) 21.225 9.436 ( 4.569 -1.163 -8.808) 9.990 9.436 ( 4.569 -1.163 8.808) 9.990 10.624 ( -12.148 1.582 -8.477) 14.897 10.624 ( -12.148 1.582 8.477) 14.897 11.342 ( -7.341 1.348 -16.006) 17.661 11.342 ( -7.341 1.348 16.006) 17.661 12.691 ( 4.048 3.636 -9.305) 10.779 12.691 ( 4.048 3.636 9.305) 10.779 14.742 ( 12.711 -0.669 -5.559) 13.890 14.742 ( 12.711 -0.669 5.559) 13.890 19.773 ( 3.358 0.951 -14.327) 14.746 19.773 ( 3.358 0.951 14.327) 14.746 30.316 ( -12.139 0.224 -11.207) 16.523 30.316 ( -12.139 0.224 11.207) 16.523 31.676 ( 1.535 -2.089 -78.289) 78.332 31.676 ( 1.535 -2.089 78.289) 78.332 84.432 ( 12.719 -4.094 -34.621) 37.110 84.432 ( 12.719 -4.094 34.621) 37.110 ======================= Grid point 1682 (474/511) ======================= q-point: (-0.19 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.422 ( -8.137 -5.410 -9.280) 13.476 4.422 ( -8.137 -5.410 9.280) 13.476 5.066 ( -18.818 -20.078 -21.031) 34.635 5.066 ( -18.818 -20.078 21.031) 34.635 7.431 ( 0.982 11.416 -19.441) 22.567 7.431 ( 0.982 11.416 19.441) 22.567 9.603 ( 12.043 -0.649 -9.309) 15.235 9.603 ( 12.043 -0.649 9.309) 15.235 10.284 ( -20.317 0.623 -8.934) 22.203 10.284 ( -20.317 0.623 8.934) 22.203 11.284 ( 0.167 0.587 -18.357) 18.367 11.284 ( 0.167 0.587 18.357) 18.367 12.725 ( 1.582 4.193 -8.300) 9.433 12.725 ( 1.582 4.193 8.300) 9.433 14.940 ( 7.253 0.111 -5.449) 9.072 14.940 ( 7.253 0.111 5.449) 9.072 19.819 ( 1.814 1.010 -15.552) 15.690 19.819 ( 1.814 1.010 15.552) 15.690 30.130 ( -6.730 0.248 -12.118) 13.864 30.130 ( -6.730 0.248 12.118) 13.864 31.711 ( 0.987 -2.174 -80.093) 80.129 31.711 ( 0.987 -2.174 80.093) 80.129 84.652 ( 7.423 -4.546 -32.353) 33.504 84.652 ( 7.423 -4.546 32.353) 33.504 ======================= Grid point 1684 (475/511) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.339 ( 0.000 -0.239 -17.753) 17.755 4.339 ( 0.000 -0.239 17.753) 17.755 5.006 ( 0.000 -23.962 -30.052) 38.436 5.006 ( 0.000 -23.962 30.052) 38.436 7.384 ( -0.000 11.637 -19.492) 22.701 7.384 ( -0.000 11.637 19.492) 22.701 9.883 ( 0.000 -0.263 -1.811) 1.830 9.883 ( 0.000 -0.263 1.811) 1.830 9.918 ( 0.000 -0.052 -16.617) 16.617 9.918 ( 0.000 -0.052 16.617) 16.617 11.290 ( -0.000 0.294 -19.030) 19.033 11.290 ( -0.000 0.294 19.030) 19.033 12.718 ( -0.000 3.748 -7.741) 8.600 12.718 ( -0.000 3.748 7.741) 8.600 15.010 ( -0.000 0.413 -4.966) 4.983 15.010 ( -0.000 0.413 4.966) 4.983 19.832 ( -0.000 0.902 -16.221) 16.246 19.832 ( -0.000 0.902 16.221) 16.246 30.062 ( -0.000 0.224 -12.276) 12.278 30.062 ( -0.000 0.224 12.276) 12.278 31.732 ( 0.000 -1.934 -80.536) 80.559 31.732 ( 0.000 -1.934 80.536) 80.559 84.748 ( 0.000 -4.135 -30.403) 30.683 84.748 ( 0.000 -4.135 30.403) 30.683 ======================= Grid point 1694 (476/511) ======================= q-point: ( 0.19 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.977 ( 13.221 -0.000 -7.808) 15.354 5.977 ( 13.221 -0.000 7.808) 15.354 6.817 ( 8.608 -0.000 -19.006) 20.865 6.817 ( 8.608 -0.000 19.006) 20.865 7.984 ( 2.898 -0.000 -6.263) 6.901 7.984 ( 2.898 -0.000 6.263) 6.901 10.053 ( 6.189 -0.000 -12.775) 14.196 10.053 ( 6.189 -0.000 12.775) 14.196 11.032 ( -13.054 0.000 -14.686) 19.649 11.032 ( -13.054 0.000 14.686) 19.649 11.261 ( 15.242 -0.000 -18.493) 23.965 11.261 ( 15.242 -0.000 18.493) 23.965 12.422 ( -8.438 0.000 -5.744) 10.208 12.422 ( -8.438 0.000 5.744) 10.208 14.255 ( 5.442 -0.000 -0.856) 5.509 14.255 ( 5.442 -0.000 0.856) 5.509 19.388 ( -4.962 0.000 -6.309) 8.026 19.388 ( -4.962 0.000 6.309) 8.026 31.266 ( 3.803 -0.000 -59.857) 59.978 31.266 ( 3.803 -0.000 59.857) 59.978 31.745 ( 5.959 -0.000 -1.782) 6.220 31.745 ( 5.959 -0.000 1.782) 6.220 83.369 ( -9.333 0.000 -35.490) 36.696 83.369 ( -9.333 0.000 35.490) 36.696 ======================= Grid point 1696 (477/511) ======================= q-point: ( 0.25 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.209 ( 10.625 -0.677 -1.352) 10.732 6.209 ( 10.625 -0.677 1.352) 10.732 6.990 ( 8.231 -0.277 -17.368) 19.221 6.990 ( 8.231 -0.277 17.368) 19.221 7.965 ( -4.249 0.548 -4.610) 6.293 7.965 ( -4.249 0.548 4.610) 6.293 10.174 ( 7.176 0.186 -16.818) 18.286 10.174 ( 7.176 0.186 16.818) 18.286 10.719 ( -15.646 -0.290 -22.976) 27.799 10.719 ( -15.646 -0.290 22.976) 27.799 11.612 ( 16.796 0.443 -8.986) 19.054 11.612 ( 16.796 0.443 8.986) 19.054 12.231 ( -10.743 -0.096 -7.945) 13.362 12.231 ( -10.743 -0.096 7.945) 13.362 14.361 ( 4.706 -0.009 -1.430) 4.919 14.361 ( 4.706 -0.009 1.430) 4.919 19.309 ( -2.959 -0.042 -3.044) 4.245 19.309 ( -2.959 -0.042 3.044) 4.245 31.305 ( 0.801 0.013 -76.788) 76.792 31.305 ( 0.801 0.013 76.788) 76.792 31.852 ( 4.354 0.025 -15.794) 16.383 31.852 ( 4.354 0.025 15.794) 16.383 83.235 ( -4.525 -0.032 -35.348) 35.636 83.235 ( -4.525 -0.032 35.348) 35.636 ======================= Grid point 1698 (478/511) ======================= q-point: ( 0.31 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.380 ( 5.965 0.008 -4.374) 7.397 6.380 ( 5.965 0.008 4.374) 7.397 7.090 ( 0.964 -0.200 -16.592) 16.621 7.090 ( 0.964 -0.200 16.592) 16.621 7.863 ( -4.463 0.110 -1.144) 4.608 7.863 ( -4.463 0.110 1.144) 4.608 10.295 ( 0.813 1.045 -6.585) 6.717 10.295 ( 0.813 1.045 6.585) 6.717 10.518 ( -0.124 -1.003 -9.588) 9.641 10.518 ( -0.124 -1.003 9.588) 9.641 11.787 ( -3.887 0.158 -3.718) 5.382 11.787 ( -3.887 0.158 3.718) 5.382 12.093 ( 1.652 -0.154 -4.044) 4.371 12.093 ( 1.652 -0.154 4.044) 4.371 14.412 ( 0.211 0.019 -2.340) 2.349 14.412 ( 0.211 0.019 2.340) 2.349 19.282 ( 0.271 0.001 -0.199) 0.336 19.282 ( 0.271 0.001 0.199) 0.336 31.310 ( -0.078 -0.001 -80.586) 80.586 31.310 ( -0.078 -0.001 80.586) 80.586 31.894 ( -0.145 0.000 -19.760) 19.760 31.894 ( -0.145 0.000 19.760) 19.760 83.194 ( 0.256 -0.000 -35.159) 35.160 83.194 ( 0.256 -0.000 35.159) 35.160 ======================= Grid point 1700 (479/511) ======================= q-point: (-0.62 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.373 ( -8.042 2.110 -7.512) 11.205 6.373 ( -8.042 2.110 7.512) 11.205 7.054 ( -2.128 0.790 -18.148) 18.290 7.054 ( -2.128 0.790 18.148) 18.290 7.821 ( -0.998 -1.967 -4.020) 4.586 7.821 ( -0.998 -1.967 4.020) 4.586 10.186 ( -6.817 0.830 -17.202) 18.522 10.186 ( -6.817 0.830 17.202) 18.522 10.728 ( 15.663 -0.627 -14.459) 21.326 10.728 ( 15.663 -0.627 14.459) 21.326 11.532 ( -17.577 -0.733 -12.477) 21.568 11.532 ( -17.577 -0.733 12.477) 21.568 12.240 ( 9.322 -0.031 -4.133) 10.197 12.240 ( 9.322 -0.031 4.133) 10.197 14.365 ( -4.859 0.073 -3.236) 5.838 14.365 ( -4.859 0.073 3.236) 5.838 19.319 ( 3.423 0.121 -3.199) 4.687 19.319 ( 3.423 0.121 3.199) 4.687 31.302 ( -0.975 -0.039 -77.354) 77.360 31.302 ( -0.975 -0.039 77.354) 77.360 31.846 ( -4.673 -0.069 -16.221) 16.881 31.846 ( -4.673 -0.069 16.221) 16.881 83.242 ( 4.666 0.090 -35.309) 35.616 83.242 ( 4.666 0.090 35.309) 35.616 ======================= Grid point 1702 (480/511) ======================= q-point: (-0.56 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.054 ( -22.175 1.206 -10.924) 24.749 6.054 ( -22.175 1.206 10.924) 24.749 7.034 ( 0.319 4.525 -17.152) 17.741 7.034 ( 0.320 4.525 17.152) 17.741 7.800 ( -3.489 -3.983 -6.150) 8.116 7.800 ( -3.489 -3.983 6.150) 8.116 10.052 ( -7.898 0.376 -13.002) 15.217 10.052 ( -7.898 0.376 13.002) 15.217 10.963 ( -0.484 -2.155 -3.128) 3.829 10.963 ( -0.484 -2.155 3.128) 3.829 11.294 ( 2.582 1.286 -26.636) 26.791 11.294 ( 2.582 1.286 26.636) 26.791 12.405 ( 7.165 -0.391 -3.577) 8.018 12.405 ( 7.165 -0.391 3.577) 8.018 14.245 ( -6.706 -0.133 -3.868) 7.743 14.245 ( -6.706 -0.133 3.868) 7.743 19.405 ( 5.266 0.272 -5.848) 7.874 19.405 ( 5.266 0.272 5.848) 7.874 31.261 ( -3.857 -0.094 -61.791) 61.912 31.261 ( -3.857 -0.094 61.791) 61.912 31.731 ( -6.515 -0.213 -0.711) 6.557 31.731 ( -6.515 -0.213 0.711) 6.557 83.370 ( 8.569 0.024 -35.974) 36.981 83.370 ( 8.569 0.024 35.974) 36.981 ======================= Grid point 1704 (481/511) ======================= q-point: (-0.50 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.574 ( -26.593 -2.245 -13.784) 30.037 5.574 ( -26.593 -2.245 13.784) 30.037 6.967 ( -5.887 6.787 -11.897) 14.908 6.967 ( -5.887 6.787 11.897) 14.908 7.719 ( -6.489 -3.611 -6.434) 9.826 7.719 ( -6.489 -3.611 6.434) 9.826 9.835 ( -14.664 -1.148 -5.931) 15.859 9.835 ( -14.664 -1.148 5.931) 15.859 10.823 ( -6.564 -1.116 -4.527) 8.051 10.823 ( -6.564 -1.116 4.527) 8.051 11.554 ( 16.427 3.129 -23.864) 29.140 11.554 ( 16.427 3.129 23.864) 29.140 12.503 ( 2.425 -0.852 -2.553) 3.623 12.503 ( 2.425 -0.852 2.553) 3.623 14.153 ( -1.679 -0.779 -4.000) 4.407 14.153 ( -1.679 -0.779 4.000) 4.407 19.511 ( 5.712 0.420 -8.156) 9.966 19.511 ( 5.712 0.420 8.156) 9.966 31.129 ( -10.173 -0.073 -27.529) 29.348 31.129 ( -10.173 -0.073 27.529) 29.348 31.631 ( -3.506 -0.553 -35.519) 35.695 31.631 ( -3.506 -0.553 35.519) 35.695 83.569 ( 11.804 -0.470 -36.990) 38.831 83.569 ( 11.804 -0.470 36.990) 38.831 ======================= Grid point 1706 (482/511) ======================= q-point: (-0.44 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.086 ( -25.594 -7.177 -16.413) 31.240 5.086 ( -25.594 -7.177 16.413) 31.240 6.688 ( -21.124 4.007 -7.178) 22.667 6.688 ( -21.124 4.007 7.178) 22.667 7.615 ( -4.240 0.493 -11.612) 12.372 7.615 ( -4.240 0.493 11.612) 12.372 9.558 ( -12.843 -2.145 -2.678) 13.294 9.558 ( -12.843 -2.145 2.678) 13.294 10.770 ( -0.094 0.873 -6.508) 6.567 10.770 ( -0.094 0.873 6.508) 6.567 11.741 ( 2.339 4.190 -18.016) 18.644 11.741 ( 2.339 4.190 18.016) 18.644 12.535 ( 2.380 -0.525 -5.985) 6.462 12.535 ( 2.380 -0.525 5.985) 6.462 14.222 ( 8.204 -1.497 -4.545) 9.497 14.222 ( 8.204 -1.497 4.545) 9.497 19.616 ( 5.358 0.589 -10.174) 11.514 19.616 ( 5.358 0.589 10.174) 11.514 30.881 ( -14.767 0.031 -2.004) 14.902 30.881 ( -14.767 0.031 2.004) 14.902 31.602 ( -0.228 -1.099 -62.513) 62.523 31.602 ( -0.228 -1.099 62.513) 62.523 83.825 ( 13.950 -1.523 -37.883) 40.399 83.825 ( 13.950 -1.523 37.883) 40.399 ======================= Grid point 1708 (483/511) ======================= q-point: (-0.38 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.682 ( -20.665 -12.466 -18.103) 30.169 4.682 ( -20.665 -12.466 18.103) 30.169 6.127 ( -34.607 -0.995 -8.945) 35.759 6.127 ( -34.607 -0.995 8.945) 35.759 7.562 ( -0.093 4.930 -16.022) 16.764 7.562 ( -0.093 4.930 16.022) 16.764 9.405 ( -3.706 -1.677 -5.954) 7.211 9.405 ( -3.706 -1.677 5.954) 7.211 10.764 ( -1.190 1.719 -8.120) 8.384 10.764 ( -1.190 1.719 8.120) 8.384 11.596 ( -12.823 2.943 -13.550) 18.886 11.596 ( -12.823 2.943 13.550) 18.886 12.628 ( 6.671 2.069 -10.609) 12.702 12.628 ( 6.671 2.069 10.609) 12.702 14.456 ( 14.041 -1.590 -5.719) 15.244 14.456 ( 14.041 -1.590 5.719) 15.244 19.709 ( 4.611 0.814 -11.938) 12.824 19.709 ( 4.611 0.814 11.938) 12.824 30.587 ( -15.091 0.147 -7.838) 17.005 30.587 ( -15.091 0.147 7.838) 17.005 31.620 ( 1.080 -1.725 -73.726) 73.754 31.620 ( 1.080 -1.725 73.726) 73.754 84.112 ( 14.293 -2.985 -38.089) 40.792 84.112 ( 14.293 -2.985 38.089) 40.792 ======================= Grid point 1710 (484/511) ======================= q-point: (-0.31 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.428 ( -12.558 -15.565 -16.686) 26.046 4.428 ( -12.558 -15.565 16.686) 26.046 5.440 ( -36.257 -6.443 -9.593) 38.054 5.440 ( -36.257 -6.443 9.593) 38.054 7.549 ( 1.624 7.742 -17.695) 19.383 7.549 ( 1.624 7.742 17.695) 19.383 9.426 ( 4.981 -0.853 -8.417) 9.817 9.426 ( 4.981 -0.853 8.417) 9.817 10.639 ( -12.556 1.465 -8.166) 15.049 10.639 ( -12.556 1.465 8.166) 15.049 11.357 ( -7.825 1.604 -15.493) 17.431 11.357 ( -7.825 1.604 15.493) 17.431 12.730 ( 4.924 4.286 -10.408) 12.285 12.730 ( 4.924 4.286 10.408) 12.285 14.733 ( 13.074 -0.978 -6.518) 14.641 14.733 ( 13.074 -0.978 6.518) 14.641 19.783 ( 3.480 1.067 -13.449) 13.933 19.783 ( 3.480 1.067 13.449) 13.933 30.318 ( -12.102 0.241 -11.124) 16.440 30.318 ( -12.102 0.241 11.124) 16.440 31.654 ( 1.306 -2.277 -78.335) 78.379 31.654 ( 1.306 -2.277 78.335) 78.379 84.389 ( 12.084 -4.441 -37.266) 39.427 84.389 ( 12.084 -4.441 37.266) 39.427 ======================= Grid point 1712 (485/511) ======================= q-point: (-0.25 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.344 ( -3.660 -10.861 -8.689) 14.383 4.344 ( -3.660 -10.861 8.689) 14.383 4.881 ( -24.881 -16.428 -14.223) 33.034 4.881 ( -24.881 -16.428 14.223) 33.034 7.537 ( 1.322 9.756 -18.547) 20.998 7.537 ( 1.322 9.756 18.547) 20.998 9.598 ( 12.325 -0.346 -9.194) 15.380 9.598 ( 12.325 -0.346 9.194) 15.380 10.290 ( -20.701 0.759 -8.999) 22.585 10.290 ( -20.701 0.759 8.999) 22.585 11.290 ( -0.100 0.747 -18.230) 18.245 11.290 ( -0.100 0.747 18.230) 18.245 12.772 ( 1.999 5.338 -9.051) 10.697 12.772 ( 1.999 5.338 9.051) 10.697 14.940 ( 7.511 -0.179 -6.710) 10.074 14.940 ( 7.511 -0.179 6.710) 10.074 19.830 ( 1.889 1.238 -14.641) 14.814 19.830 ( 1.889 1.238 14.641) 14.814 30.132 ( -6.712 0.292 -12.119) 13.857 30.132 ( -6.712 0.292 12.119) 13.857 31.688 ( 0.866 -2.586 -80.228) 80.274 31.688 ( 0.866 -2.586 80.228) 80.274 84.603 ( 7.071 -5.374 -35.562) 36.654 84.603 ( 7.071 -5.374 35.562) 36.654 ======================= Grid point 1714 (486/511) ======================= q-point: (-0.19 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.336 ( 0.000 -0.313 -17.246) 17.249 4.336 ( 0.000 -0.313 17.246) 17.249 4.745 ( 0.000 -28.151 -29.563) 40.822 4.745 ( 0.000 -28.151 29.563) 40.822 7.498 ( -0.000 11.154 -19.096) 22.115 7.498 ( -0.000 11.154 19.096) 22.115 9.880 ( 0.000 -0.342 -1.850) 1.882 9.880 ( 0.000 -0.342 1.850) 1.882 9.919 ( -0.000 0.418 -17.229) 17.234 9.919 ( -0.000 0.418 17.229) 17.234 11.293 ( -0.000 0.381 -18.993) 18.996 11.293 ( -0.000 0.381 18.993) 18.996 12.763 ( -0.000 5.256 -8.260) 9.790 12.763 ( -0.000 5.256 8.260) 9.790 15.013 ( -0.000 0.254 -6.283) 6.288 15.013 ( -0.000 0.254 6.283) 6.288 19.843 ( -0.000 1.221 -15.385) 15.433 19.843 ( -0.000 1.221 15.385) 15.433 30.065 ( -0.000 0.292 -12.301) 12.305 30.065 ( -0.000 0.292 12.301) 12.305 31.709 ( 0.000 -2.547 -80.687) 80.727 31.709 ( 0.000 -2.547 80.687) 80.727 84.700 ( 0.000 -5.413 -33.636) 34.069 84.700 ( 0.000 -5.413 33.636) 34.069 ======================= Grid point 1728 (487/511) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.380 ( 6.463 -0.000 -4.717) 8.001 6.380 ( 6.463 -0.000 4.717) 8.001 7.089 ( 1.028 -0.000 -16.666) 16.697 7.089 ( 1.028 -0.000 16.666) 16.697 7.863 ( -4.820 0.000 -1.089) 4.941 7.863 ( -4.820 0.000 1.089) 4.941 10.301 ( 0.907 -0.000 -1.786) 2.003 10.301 ( 0.907 -0.000 1.786) 2.003 10.513 ( -0.160 0.000 -6.526) 6.528 10.513 ( -0.160 0.000 6.526) 6.528 11.788 ( -4.226 0.000 -1.741) 4.570 11.788 ( -4.226 0.000 1.741) 4.570 12.093 ( 1.806 -0.000 -2.305) 2.929 12.093 ( 1.806 -0.000 2.306) 2.929 14.412 ( 0.229 -0.000 -2.361) 2.372 14.412 ( 0.229 -0.000 2.361) 2.372 19.282 ( 0.293 -0.000 -0.215) 0.364 19.282 ( 0.293 -0.000 0.215) 0.364 31.310 ( -0.085 0.000 -80.585) 80.585 31.310 ( -0.085 0.000 80.585) 80.585 31.894 ( -0.157 0.000 -19.758) 19.759 31.894 ( -0.157 0.000 19.758) 19.759 83.194 ( 0.277 -0.000 -35.159) 35.160 83.194 ( 0.277 -0.000 35.159) 35.160 ======================= Grid point 1730 (488/511) ======================= q-point: (-0.69 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.387 ( -7.885 0.750 -7.971) 11.237 6.387 ( -7.885 0.750 7.971) 11.237 7.059 ( -1.307 0.277 -18.249) 18.297 7.059 ( -1.307 0.277 18.249) 18.297 7.808 ( -1.685 -0.705 -3.336) 3.803 7.808 ( -1.685 -0.705 3.336) 3.803 10.192 ( -6.967 0.337 -17.100) 18.468 10.192 ( -6.967 0.337 17.100) 18.468 10.723 ( 15.731 -0.269 -13.120) 20.486 10.723 ( 15.731 -0.269 13.120) 20.486 11.527 ( -17.567 -0.244 -12.581) 21.609 11.527 ( -17.567 -0.244 12.581) 21.609 12.239 ( 9.238 -0.018 -2.811) 9.656 12.239 ( 9.238 -0.018 2.811) 9.656 14.365 ( -4.873 0.027 -3.370) 5.925 14.365 ( -4.873 0.027 3.370) 5.925 19.320 ( 3.461 0.043 -3.211) 4.721 19.320 ( 3.461 0.043 3.211) 4.721 31.301 ( -0.990 -0.014 -77.399) 77.406 31.301 ( -0.990 -0.014 77.399) 77.406 31.845 ( -4.699 -0.024 -16.251) 16.917 31.845 ( -4.699 -0.024 16.251) 16.917 83.243 ( 4.677 0.031 -35.305) 35.613 83.243 ( 4.677 0.031 35.305) 35.613 ======================= Grid point 1732 (489/511) ======================= q-point: (-0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.063 ( -23.248 0.644 -11.187) 25.808 6.063 ( -23.248 0.644 11.187) 25.808 7.071 ( 1.689 2.682 -16.616) 16.915 7.071 ( 1.689 2.682 16.616) 16.915 7.768 ( -3.818 -2.388 -5.051) 6.768 7.768 ( -3.818 -2.388 5.051) 6.768 10.055 ( -8.297 0.261 -12.996) 15.421 10.055 ( -8.297 0.261 12.996) 15.421 10.946 ( -1.197 -1.244 -1.995) 2.638 10.946 ( -1.197 -1.244 1.995) 2.638 11.304 ( 3.967 0.731 -26.592) 26.896 11.304 ( 3.967 0.731 26.592) 26.896 12.401 ( 7.016 -0.224 -2.361) 7.406 12.401 ( 7.016 -0.224 2.361) 7.406 14.244 ( -6.864 -0.068 -4.181) 8.038 14.244 ( -6.864 -0.068 4.181) 8.038 19.407 ( 5.305 0.147 -5.786) 7.851 19.407 ( 5.305 0.147 5.786) 7.851 31.260 ( -3.865 -0.051 -62.035) 62.155 31.260 ( -3.865 -0.051 62.035) 62.155 31.730 ( -6.584 -0.115 -0.396) 6.597 31.730 ( -6.584 -0.115 0.396) 6.597 83.371 ( 8.472 0.013 -36.032) 37.015 83.371 ( 8.472 0.013 36.032) 37.015 ======================= Grid point 1734 (490/511) ======================= q-point: (-0.56 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.555 ( -28.262 -1.432 -14.020) 31.581 5.555 ( -28.262 -1.432 14.020) 31.581 7.025 ( -6.381 4.831 -9.851) 12.693 7.025 ( -6.381 4.831 9.851) 12.693 7.687 ( -5.277 -2.766 -4.600) 7.527 7.687 ( -5.277 -2.766 4.600) 7.527 9.826 ( -15.349 -0.759 -6.016) 16.503 9.826 ( -15.349 -0.759 6.016) 16.503 10.814 ( -5.505 -0.731 -3.952) 6.816 10.814 ( -5.505 -0.731 3.952) 6.816 11.579 ( 16.924 2.083 -23.438) 28.984 11.579 ( 16.924 2.083 23.438) 28.984 12.495 ( 2.281 -0.603 -1.824) 2.982 12.495 ( 2.281 -0.603 1.824) 2.982 14.147 ( -1.981 -0.515 -4.483) 4.928 14.147 ( -1.981 -0.515 4.483) 4.928 19.514 ( 5.755 0.282 -7.936) 9.807 19.514 ( 5.755 0.282 7.936) 9.807 31.128 ( -10.135 -0.050 -28.037) 29.813 31.128 ( -10.135 -0.050 28.037) 29.813 31.626 ( -3.675 -0.369 -35.054) 35.248 31.626 ( -3.675 -0.369 35.054) 35.248 83.565 ( 11.497 -0.315 -37.298) 39.031 83.565 ( 11.497 -0.315 37.298) 39.031 ======================= Grid point 1736 (491/511) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.024 ( -27.687 -5.275 -16.591) 32.706 5.024 ( -27.687 -5.275 16.591) 32.706 6.722 ( -23.508 2.861 -5.931) 24.412 6.722 ( -23.508 2.861 5.931) 24.413 7.619 ( -1.968 0.373 -10.987) 11.169 7.619 ( -1.968 0.373 10.987) 11.169 9.540 ( -12.797 -1.614 -2.073) 13.064 9.540 ( -12.797 -1.614 2.073) 13.064 10.777 ( 0.513 0.646 -6.302) 6.355 10.777 ( 0.513 0.646 6.302) 6.355 11.778 ( 2.107 3.223 -17.100) 17.529 11.778 ( 2.107 3.223 17.100) 17.529 12.530 ( 3.186 -0.417 -6.865) 7.580 12.530 ( 3.186 -0.417 6.865) 7.580 14.208 ( 8.011 -1.171 -4.827) 9.426 14.208 ( 8.011 -1.171 4.827) 9.426 19.621 ( 5.428 0.456 -9.730) 11.152 19.621 ( 5.428 0.456 9.730) 11.152 30.882 ( -14.715 0.023 -2.344) 14.901 30.882 ( -14.715 0.023 2.344) 14.901 31.592 ( -0.466 -0.842 -62.205) 62.213 31.592 ( -0.466 -0.842 62.205) 62.213 83.811 ( 13.410 -1.168 -38.718) 40.992 83.811 ( 13.410 -1.168 38.718) 40.992 ======================= Grid point 1738 (492/511) ======================= q-point: (-0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.568 ( -22.735 -10.348 -18.542) 31.109 4.568 ( -22.735 -10.348 18.542) 31.109 6.120 ( -36.606 -0.564 -9.219) 37.753 6.120 ( -36.606 -0.564 9.219) 37.753 7.603 ( 1.023 3.502 -14.743) 15.187 7.603 ( 1.023 3.502 14.743) 15.187 9.391 ( -3.186 -1.264 -4.979) 6.045 9.391 ( -3.186 -1.264 4.979) 6.045 10.779 ( -1.176 1.327 -7.901) 8.097 10.779 ( -1.176 1.327 7.901) 8.097 11.623 ( -13.629 2.484 -12.436) 18.616 11.623 ( -13.629 2.484 12.436) 18.616 12.649 ( 8.052 1.960 -12.076) 14.647 12.649 ( 8.052 1.960 12.076) 14.647 14.440 ( 14.157 -1.472 -6.051) 15.466 14.440 ( 14.157 -1.472 6.051) 15.466 19.717 ( 4.725 0.708 -11.248) 12.221 19.717 ( 4.725 0.708 11.248) 12.221 30.588 ( -15.042 0.123 -7.621) 16.863 30.588 ( -15.042 0.123 7.621) 16.863 31.604 ( 0.815 -1.468 -73.615) 73.634 31.604 ( 0.815 -1.468 73.615) 73.634 84.084 ( 13.610 -2.535 -39.710) 42.055 84.084 ( 13.610 -2.535 39.710) 42.055 ======================= Grid point 1740 (493/511) ======================= q-point: (-0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.275 ( -13.570 -15.063 -18.671) 27.562 4.275 ( -13.570 -15.063 18.671) 27.562 5.389 ( -38.276 -4.048 -10.074) 39.786 5.389 ( -38.276 -4.048 10.074) 39.786 7.613 ( 1.997 5.338 -16.040) 17.023 7.613 ( 1.997 5.338 16.040) 17.023 9.420 ( 5.459 -0.439 -7.452) 9.248 9.420 ( 5.459 -0.439 7.452) 9.248 10.652 ( -12.896 1.154 -7.499) 14.963 10.652 ( -12.896 1.154 7.499) 14.963 11.373 ( -8.304 1.595 -14.966) 17.189 11.373 ( -8.304 1.595 14.966) 17.189 12.773 ( 5.844 4.299 -11.718) 13.782 12.773 ( 5.844 4.299 11.718) 13.782 14.723 ( 13.383 -1.155 -7.310) 15.293 14.723 ( 13.383 -1.155 7.310) 15.293 19.794 ( 3.609 1.021 -12.549) 13.097 19.794 ( 3.609 1.021 12.549) 13.097 30.321 ( -12.065 0.222 -11.039) 16.355 30.321 ( -12.065 0.222 11.039) 16.355 31.632 ( 1.073 -2.118 -78.376) 78.412 31.632 ( 1.073 -2.118 78.376) 78.412 84.347 ( 11.446 -4.112 -39.780) 41.598 84.347 ( 11.446 -4.112 39.780) 41.598 ======================= Grid point 1742 (494/511) ======================= q-point: (-0.31 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.208 ( -1.080 -16.168 -14.780) 21.932 4.208 ( -1.080 -16.168 14.780) 21.932 4.754 ( -29.083 -9.253 -9.336) 31.915 4.754 ( -29.083 -9.253 9.336) 31.915 7.619 ( 1.454 6.865 -16.952) 18.347 7.619 ( 1.454 6.865 16.952) 18.347 9.597 ( 12.587 0.076 -8.439) 15.154 9.597 ( 12.587 0.076 8.439) 15.154 10.298 ( -20.941 0.804 -8.489) 22.610 10.298 ( -20.941 0.804 8.489) 22.610 11.298 ( -0.444 0.797 -18.095) 18.118 11.298 ( -0.444 0.797 18.095) 18.118 12.827 ( 2.479 5.771 -10.127) 11.917 12.827 ( 2.479 5.771 10.127) 11.917 14.937 ( 7.758 -0.532 -7.917) 11.098 14.937 ( 7.758 -0.532 7.917) 11.098 19.843 ( 1.975 1.289 -13.623) 13.825 19.843 ( 1.975 1.289 13.623) 13.825 30.135 ( -6.694 0.292 -12.119) 13.848 30.135 ( -6.694 0.292 12.119) 13.848 31.662 ( 0.732 -2.610 -80.371) 80.416 31.662 ( 0.732 -2.610 80.371) 80.416 84.549 ( 6.690 -5.386 -38.810) 39.749 84.549 ( 6.690 -5.386 38.810) 39.749 ======================= Grid point 1744 (495/511) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.333 ( 0.000 -0.339 -16.628) 16.631 4.333 ( 0.000 -0.339 16.628) 16.631 4.466 ( 0.000 -28.028 -28.273) 39.812 4.466 ( 0.000 -28.028 28.273) 39.812 7.596 ( -0.000 8.466 -17.818) 19.727 7.596 ( -0.000 8.466 17.818) 19.727 9.876 ( 0.000 -0.368 -1.897) 1.932 9.876 ( 0.000 -0.368 1.897) 1.932 9.927 ( -0.000 1.062 -16.825) 16.858 9.927 ( -0.000 1.062 16.825) 16.858 11.297 ( -0.000 0.410 -18.949) 18.953 11.297 ( -0.000 0.410 18.949) 18.953 12.820 ( -0.000 6.148 -9.121) 11.000 12.820 ( -0.000 6.148 9.121) 11.000 15.014 ( 0.000 -0.102 -7.651) 7.652 15.014 ( 0.000 -0.102 7.651) 7.652 19.856 ( -0.000 1.377 -14.367) 14.433 19.856 ( -0.000 1.377 14.367) 14.433 30.068 ( -0.000 0.316 -12.330) 12.334 30.068 ( -0.000 0.316 12.330) 12.334 31.683 ( 0.000 -2.784 -80.862) 80.910 31.683 ( 0.000 -2.784 80.862) 80.910 84.644 ( 0.000 -5.872 -37.172) 37.633 84.644 ( 0.000 -5.872 37.172) 37.633 ======================= Grid point 1762 (496/511) ======================= q-point: (-0.69 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.066 ( -23.621 0.000 -11.274) 26.174 6.066 ( -23.621 0.000 11.274) 26.174 7.084 ( 2.206 -0.000 -16.376) 16.524 7.084 ( 2.206 -0.000 16.376) 16.524 7.756 ( -3.972 0.000 -4.377) 5.911 7.756 ( -3.972 0.000 4.377) 5.911 10.056 ( -8.449 0.000 -12.994) 15.499 10.056 ( -8.449 0.000 12.994) 15.499 10.940 ( -1.395 0.000 -1.338) 1.933 10.940 ( -1.395 0.000 1.338) 1.933 11.308 ( 4.409 -0.000 -26.528) 26.892 11.308 ( 4.409 -0.000 26.528) 26.892 12.400 ( 6.963 -0.000 -1.621) 7.150 12.400 ( 6.963 -0.000 1.621) 7.150 14.244 ( -6.919 0.000 -4.290) 8.142 14.244 ( -6.919 0.000 4.290) 8.142 19.407 ( 5.319 -0.000 -5.764) 7.843 19.407 ( 5.319 -0.000 5.764) 7.843 31.260 ( -3.868 0.000 -62.121) 62.241 31.260 ( -3.868 0.000 62.121) 62.241 31.729 ( -6.609 0.000 -0.185) 6.611 31.729 ( -6.609 0.000 0.185) 6.611 83.371 ( 8.438 -0.000 -36.053) 37.027 83.371 ( 8.438 -0.000 36.053) 37.027 ======================= Grid point 1766 (497/511) ======================= q-point: (-0.62 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.546 ( -29.142 -0.491 -14.135) 32.393 5.546 ( -29.142 -0.491 14.135) 32.393 7.058 ( -6.802 1.779 -8.022) 10.667 7.058 ( -6.802 1.779 8.022) 10.667 7.667 ( -4.485 -1.063 -2.024) 5.034 7.667 ( -4.485 -1.063 2.024) 5.034 9.821 ( -15.730 -0.265 -6.066) 16.862 9.821 ( -15.730 -0.265 6.066) 16.862 10.809 ( -4.930 -0.254 -3.547) 6.078 10.809 ( -4.930 -0.254 3.547) 6.078 11.593 ( 17.205 0.730 -23.172) 28.870 11.593 ( 17.205 0.730 23.172) 28.870 12.491 ( 2.196 -0.218 -0.933) 2.396 12.491 ( 2.196 -0.218 0.933) 2.396 14.143 ( -2.147 -0.180 -4.745) 5.211 14.143 ( -2.147 -0.180 4.745) 5.211 19.516 ( 5.778 0.099 -7.817) 9.721 19.516 ( 5.778 0.099 7.817) 9.721 31.128 ( -10.114 -0.018 -28.315) 30.067 31.128 ( -10.114 -0.018 28.315) 30.067 31.623 ( -3.766 -0.129 -34.798) 35.001 31.623 ( -3.766 -0.129 34.798) 35.001 83.563 ( 11.331 -0.111 -37.464) 39.140 83.563 ( 11.331 -0.111 37.464) 39.140 ======================= Grid point 1768 (498/511) ======================= q-point: (-0.56 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.984 ( -29.072 -2.787 -16.638) 33.612 4.984 ( -29.072 -2.787 16.638) 33.612 6.743 ( -25.103 1.485 -4.849) 25.610 6.743 ( -25.103 1.485 4.849) 25.610 7.622 ( -0.485 0.200 -10.517) 10.531 7.622 ( -0.485 0.200 10.517) 10.531 9.527 ( -12.746 -0.865 -1.271) 12.838 9.527 ( -12.746 -0.865 1.271) 12.838 10.782 ( 0.898 0.343 -6.132) 6.207 10.782 ( 0.898 0.343 6.132) 6.207 11.803 ( 1.926 1.751 -16.349) 16.555 11.803 ( 1.926 1.751 16.349) 16.555 12.527 ( 3.786 -0.232 -7.487) 8.393 12.527 ( 3.786 -0.232 7.487) 8.393 14.199 ( 7.862 -0.643 -4.983) 9.330 14.199 ( 7.862 -0.643 4.983) 9.330 19.625 ( 5.477 0.249 -9.431) 10.909 19.625 ( 5.477 0.249 9.431) 10.909 30.882 ( -14.681 0.012 -2.573) 14.905 30.882 ( -14.681 0.012 2.573) 14.905 31.586 ( -0.625 -0.456 -61.993) 61.998 31.586 ( -0.625 -0.456 61.993) 61.998 83.802 ( 13.049 -0.633 -39.268) 41.384 83.802 ( 13.049 -0.633 39.268) 41.384 ======================= Grid point 1770 (499/511) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.483 ( -24.417 -6.813 -18.562) 31.419 4.483 ( -24.417 -6.813 18.562) 31.419 6.116 ( -37.855 -0.266 -9.287) 38.979 6.116 ( -37.855 -0.266 9.287) 38.979 7.631 ( 1.588 2.038 -13.580) 13.823 7.631 ( 1.589 2.038 13.580) 13.823 9.381 ( -2.736 -0.769 -3.706) 4.670 9.381 ( -2.736 -0.769 3.706) 4.670 10.790 ( -1.202 0.827 -7.705) 7.842 10.790 ( -1.202 0.827 7.705) 7.842 11.644 ( -14.209 1.647 -11.460) 18.328 11.644 ( -14.209 1.647 11.460) 18.328 12.666 ( 9.160 1.422 -13.304) 16.215 12.666 ( 9.160 1.422 13.304) 16.215 14.428 ( 14.205 -1.051 -6.200) 15.535 14.428 ( 14.205 -1.051 6.200) 15.535 19.723 ( 4.817 0.482 -10.711) 11.754 19.723 ( 4.817 0.482 10.711) 11.754 30.589 ( -15.004 0.082 -7.449) 16.751 30.589 ( -15.004 0.082 7.449) 16.751 31.591 ( 0.609 -0.984 -73.525) 73.534 31.591 ( 0.609 -0.984 73.525) 73.534 84.063 ( 13.087 -1.696 -40.919) 42.994 84.063 ( 13.087 -1.696 40.919) 42.994 ======================= Grid point 1772 (500/511) ======================= q-point: (-0.44 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.141 ( -14.994 -11.771 -19.250) 27.091 4.141 ( -14.994 -11.771 19.250) 27.091 5.358 ( -39.327 -2.288 -10.493) 40.767 5.358 ( -39.327 -2.288 10.493) 40.767 7.655 ( 2.047 3.134 -14.281) 14.763 7.655 ( 2.047 3.134 14.281) 14.763 9.417 ( 5.907 -0.127 -6.014) 8.431 9.417 ( 5.907 -0.127 6.014) 8.431 10.661 ( -13.135 0.771 -6.625) 14.732 10.661 ( -13.135 0.771 6.625) 14.732 11.387 ( -8.702 1.283 -14.518) 16.975 11.387 ( -8.702 1.283 14.518) 16.975 12.812 ( 6.658 3.523 -13.006) 15.030 12.812 ( 6.658 3.523 13.006) 15.030 14.712 ( 13.600 -1.061 -7.888) 15.758 14.712 ( 13.600 -1.061 7.888) 15.758 19.803 ( 3.725 0.805 -11.765) 12.367 19.803 ( 3.725 0.805 11.765) 12.367 30.323 ( -12.033 0.169 -10.963) 16.279 30.323 ( -12.033 0.169 10.963) 16.279 31.613 ( 0.873 -1.631 -78.407) 78.428 31.613 ( 0.873 -1.631 78.407) 78.428 84.311 ( 10.905 -3.153 -41.825) 43.338 84.311 ( 10.905 -3.153 41.825) 43.338 ======================= Grid point 1774 (501/511) ======================= q-point: (-0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.044 ( -1.744 -16.248 -18.692) 24.828 4.044 ( -1.744 -16.248 18.692) 24.828 4.690 ( -29.890 -4.358 -10.363) 31.934 4.690 ( -29.890 -4.358 10.363) 31.934 7.672 ( 1.415 4.069 -14.963) 15.570 7.672 ( 1.415 4.069 14.963) 15.570 9.599 ( 12.782 0.358 -7.048) 14.601 9.599 ( 12.782 0.358 7.048) 14.601 10.306 ( -21.005 0.730 -7.294) 22.247 10.306 ( -21.005 0.730 7.294) 22.247 11.306 ( -0.804 0.710 -17.975) 18.007 11.306 ( -0.804 0.710 17.975) 18.007 12.882 ( 2.948 5.245 -11.383) 12.875 12.882 ( 2.948 5.245 11.383) 12.875 14.930 ( 7.956 -0.746 -8.949) 11.997 14.930 ( 7.956 -0.746 8.949) 11.997 19.855 ( 2.058 1.133 -12.649) 12.865 19.855 ( 2.058 1.133 12.649) 12.865 30.138 ( -6.676 0.247 -12.118) 13.837 30.138 ( -6.676 0.247 12.118) 13.837 31.638 ( 0.606 -2.231 -80.499) 80.532 31.638 ( 0.606 -2.231 80.499) 80.532 84.500 ( 6.336 -4.575 -41.647) 42.374 84.500 ( 6.336 -4.575 41.647) 42.374 ======================= Grid point 1776 (502/511) ======================= q-point: (-0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.205 ( 0.000 -24.500 -26.329) 35.965 4.205 ( 0.000 -24.500 26.329) 35.965 4.330 ( 0.000 -0.313 -15.985) 15.988 4.330 ( 0.000 -0.313 15.985) 15.988 7.664 ( -0.000 5.338 -15.927) 16.798 7.664 ( -0.000 5.338 15.927) 16.798 9.873 ( 0.000 -0.337 -1.944) 1.973 9.873 ( 0.000 -0.337 1.944) 1.973 9.940 ( -0.000 1.513 -14.935) 15.011 9.940 ( -0.000 1.513 14.935) 15.011 11.301 ( -0.000 0.377 -18.906) 18.910 11.301 ( -0.000 0.377 18.906) 18.910 12.881 ( -0.000 6.112 -10.283) 11.962 12.881 ( -0.000 6.112 10.283) 11.962 15.011 ( 0.000 -0.463 -8.913) 8.925 15.011 ( 0.000 -0.463 8.913) 8.925 19.869 ( -0.000 1.324 -13.311) 13.377 19.869 ( -0.000 1.324 13.311) 13.377 30.071 ( -0.000 0.292 -12.359) 12.363 30.071 ( -0.000 0.292 12.359) 12.363 31.656 ( 0.000 -2.597 -81.034) 81.076 31.656 ( 0.000 -2.597 81.034) 81.076 84.588 ( 0.000 -5.438 -40.479) 40.843 84.588 ( 0.000 -5.438 40.479) 40.843 ======================= Grid point 1798 (503/511) ======================= q-point: (-0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.970 ( -29.556 0.000 -16.643) 33.920 4.970 ( -29.556 0.000 16.643) 33.920 6.750 ( -25.663 0.000 -4.396) 26.037 6.750 ( -25.663 0.000 4.396) 26.037 7.623 ( 0.029 -0.000 -10.341) 10.341 7.623 ( 0.029 -0.000 10.341) 10.341 9.523 ( -12.724 0.000 -0.723) 12.744 9.523 ( -12.724 0.000 0.723) 12.744 10.784 ( 1.029 -0.000 -6.068) 6.154 10.784 ( 1.029 -0.000 6.068) 6.154 11.812 ( 1.856 -0.000 -16.052) 16.159 11.812 ( 1.856 -0.000 16.052) 16.159 12.526 ( 4.009 -0.000 -7.713) 8.693 12.526 ( 4.009 -0.000 7.713) 8.693 14.196 ( 7.806 -0.000 -5.033) 9.287 14.196 ( 7.806 -0.000 5.033) 9.287 19.626 ( 5.495 -0.000 -9.325) 10.824 19.626 ( 5.495 -0.000 9.325) 10.824 30.882 ( -14.668 0.000 -2.655) 14.907 30.882 ( -14.668 0.000 2.655) 14.907 31.584 ( -0.681 0.000 -61.917) 61.920 31.584 ( -0.681 0.000 61.917) 61.920 83.799 ( 12.922 -0.000 -39.459) 41.521 83.799 ( 12.922 -0.000 39.459) 41.521 ======================= Grid point 1802 (504/511) ======================= q-point: (-0.56 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.437 ( -25.354 -2.375 -18.479) 31.463 4.437 ( -25.354 -2.375 18.479) 31.463 6.114 ( -38.453 -0.076 -9.287) 39.559 6.114 ( -38.453 -0.076 9.287) 39.559 7.644 ( 1.806 0.663 -12.870) 13.013 7.644 ( 1.806 0.663 12.870) 13.013 9.376 ( -2.474 -0.256 -2.588) 3.590 9.376 ( -2.474 -0.256 2.588) 3.590 10.795 ( -1.228 0.280 -7.592) 7.696 10.795 ( -1.228 0.280 7.592) 7.696 11.655 ( -14.509 0.575 -10.880) 18.144 11.655 ( -14.509 0.575 10.880) 18.144 12.675 ( 9.779 0.522 -14.009) 17.092 12.675 ( 9.779 0.522 14.009) 17.092 14.420 ( 14.216 -0.383 -6.244) 15.531 14.420 ( 14.216 -0.383 6.244) 15.531 19.726 ( 4.868 0.171 -10.416) 11.499 19.726 ( 4.868 0.171 10.416) 11.499 30.589 ( -14.983 0.029 -7.353) 16.690 30.589 ( -14.983 0.029 7.353) 16.690 31.585 ( 0.497 -0.346 -73.473) 73.476 31.585 ( 0.497 -0.346 73.473) 73.476 84.052 ( 12.803 -0.596 -41.562) 43.493 84.052 ( 12.803 -0.596 41.562) 43.493 ======================= Grid point 1804 (505/511) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 898 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.050 ( -16.133 -6.426 -19.171) 25.867 4.050 ( -16.133 -6.426 19.171) 25.867 5.342 ( -39.819 -1.023 -10.692) 41.242 5.342 ( -39.819 -1.023 10.692) 41.242 7.677 ( 1.969 1.397 -12.874) 13.099 7.677 ( 1.969 1.397 12.874) 13.099 9.417 ( 6.225 0.001 -4.499) 7.681 9.417 ( 6.225 0.001 4.499) 7.681 10.667 ( -13.270 0.381 -5.844) 14.505 10.667 ( -13.270 0.381 5.844) 14.505 11.397 ( -8.963 0.713 -14.222) 16.826 11.397 ( -8.963 0.713 14.222) 16.826 12.840 ( 7.220 1.995 -13.962) 15.845 12.840 ( 7.220 1.995 13.962) 15.845 14.703 ( 13.721 -0.642 -8.236) 16.016 14.703 ( 13.721 -0.642 8.236) 16.016 19.809 ( 3.805 0.444 -11.228) 11.864 19.809 ( 3.805 0.444 11.228) 11.864 30.324 ( -12.012 0.091 -10.911) 16.228 30.324 ( -12.012 0.091 10.911) 16.228 31.601 ( 0.737 -0.886 -78.424) 78.433 31.601 ( 0.737 -0.886 78.424) 78.433 84.286 ( 10.543 -1.708 -43.153) 44.455 84.286 ( 10.543 -1.708 43.153) 44.455 ======================= Grid point 1806 (506/511) ======================= q-point: (-0.44 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.905 ( -3.165 -11.505 -19.418) 22.791 3.905 ( -3.165 -11.505 19.418) 22.791 4.661 ( -29.604 -1.933 -11.468) 31.806 4.661 ( -29.604 -1.933 11.468) 31.806 7.701 ( 1.303 1.975 -13.031) 13.244 7.701 ( 1.303 1.975 13.031) 13.244 9.603 ( 12.897 0.370 -5.340) 13.964 9.603 ( 12.897 0.370 5.340) 13.964 10.312 ( -20.953 0.518 -5.573) 21.688 10.312 ( -20.953 0.518 5.573) 21.688 11.312 ( -1.104 0.490 -17.886) 17.927 11.312 ( -1.104 0.490 17.886) 17.927 12.927 ( 3.320 3.692 -12.524) 13.472 12.927 ( 3.320 3.692 12.524) 13.472 14.923 ( 8.086 -0.660 -9.708) 12.652 14.923 ( 8.086 -0.660 9.708) 12.652 19.865 ( 2.125 0.778 -11.877) 12.091 19.865 ( 2.125 0.778 11.877) 12.091 30.140 ( -6.662 0.165 -12.116) 13.828 30.140 ( -6.662 0.165 12.116) 13.828 31.619 ( 0.507 -1.500 -80.595) 80.611 31.619 ( 0.507 -1.500 80.595) 80.611 84.462 ( 6.065 -3.062 -43.731) 44.256 84.462 ( 6.065 -3.062 43.731) 44.256 ======================= Grid point 1808 (507/511) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 481 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.993 ( 0.000 -18.174 -24.085) 30.173 3.993 ( 0.000 -18.174 24.085) 30.173 4.327 ( 0.000 -0.240 -15.420) 15.422 4.327 ( 0.000 -0.240 15.420) 15.422 7.703 ( -0.000 2.796 -13.809) 14.089 7.703 ( -0.000 2.796 13.809) 14.089 9.870 ( 0.000 -0.256 -1.983) 2.000 9.870 ( 0.000 -0.256 1.983) 2.000 9.955 ( -0.000 1.475 -11.602) 11.695 9.955 ( -0.000 1.475 11.602) 11.695 11.305 ( -0.000 0.287 -18.871) 18.873 11.305 ( -0.000 0.287 18.871) 18.873 12.936 ( -0.000 4.967 -11.517) 12.543 12.936 ( -0.000 4.967 11.517) 12.543 15.006 ( 0.000 -0.609 -9.941) 9.959 15.006 ( 0.000 -0.609 9.941) 9.959 19.881 ( -0.000 1.047 -12.380) 12.424 19.881 ( -0.000 1.047 12.380) 12.424 30.074 ( -0.000 0.223 -12.384) 12.386 30.074 ( -0.000 0.223 12.384) 12.386 31.633 ( 0.000 -2.004 -81.178) 81.203 31.633 ( 0.000 -2.004 81.178) 81.203 84.540 ( 0.000 -4.170 -43.142) 43.343 84.540 ( 0.000 -4.170 43.142) 43.343 ======================= Grid point 1834 (508/511) ======================= q-point: (-0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.018 ( -16.560 0.000 -19.064) 25.252 4.018 ( -16.560 0.000 19.064) 25.252 5.337 ( -39.963 0.000 -10.745) 41.382 5.337 ( -39.963 0.000 10.745) 41.382 7.683 ( 1.924 -0.000 -12.324) 12.473 7.683 ( 1.924 -0.000 12.324) 12.473 9.417 ( 6.340 -0.000 -3.760) 7.371 9.417 ( 6.340 -0.000 3.760) 7.371 10.669 ( -13.313 0.000 -5.520) 14.412 10.669 ( -13.313 0.000 5.520) 14.412 11.401 ( -9.054 0.000 -14.120) 16.773 11.401 ( -9.054 0.000 14.120) 16.773 12.850 ( 7.421 -0.000 -14.317) 16.126 12.850 ( 7.421 -0.000 14.317) 16.126 14.700 ( 13.759 -0.000 -8.352) 16.096 14.700 ( 13.759 -0.000 8.352) 16.096 19.811 ( 3.834 -0.000 -11.037) 11.684 19.811 ( 3.834 -0.000 11.037) 11.684 30.324 ( -12.005 0.000 -10.892) 16.209 30.324 ( -12.005 0.000 10.892) 16.209 31.596 ( 0.689 -0.000 -78.430) 78.433 31.596 ( 0.689 -0.000 78.430) 78.433 84.278 ( 10.415 -0.000 -43.613) 44.840 84.278 ( 10.415 -0.000 43.613) 44.840 ======================= Grid point 1838 (509/511) ======================= q-point: (-0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 896 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.826 ( -4.037 -4.115 -19.165) 20.014 3.826 ( -4.037 -4.115 19.165) 20.014 4.649 ( -29.354 -0.556 -11.857) 31.664 4.649 ( -29.354 -0.556 11.857) 31.664 7.713 ( 1.218 0.568 -11.784) 11.860 7.713 ( 1.218 0.568 11.784) 11.860 9.605 ( 12.945 0.152 -3.983) 13.544 9.605 ( 12.945 0.152 3.983) 13.544 10.316 ( -20.890 0.188 -4.008) 21.271 10.316 ( -20.890 0.188 4.008) 21.271 11.315 ( -1.274 0.175 -17.840) 17.886 11.315 ( -1.274 0.175 17.840) 17.886 12.952 ( 3.527 1.333 -13.208) 13.735 12.952 ( 3.527 1.333 13.208) 13.735 14.918 ( 8.149 -0.264 -10.113) 12.991 14.918 ( 8.149 -0.264 10.113) 12.991 19.870 ( 2.163 0.277 -11.448) 11.654 19.870 ( 2.163 0.277 11.448) 11.654 30.141 ( -6.655 0.058 -12.115) 13.823 30.141 ( -6.655 0.058 12.115) 13.823 31.609 ( 0.453 -0.529 -80.647) 80.650 31.609 ( 0.453 -0.529 80.647) 80.650 84.441 ( 5.918 -1.076 -44.832) 45.233 84.441 ( 5.918 -1.076 44.832) 45.233 ======================= Grid point 1840 (510/511) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( 0.000 -9.695 -22.182) 24.209 3.855 ( 0.000 -9.695 22.182) 24.209 4.325 ( 0.000 -0.130 -15.030) 15.030 4.325 ( 0.000 -0.130 15.030) 15.030 7.721 ( -0.000 1.113 -12.041) 12.092 7.721 ( -0.000 1.113 12.041) 12.092 9.868 ( 0.000 -0.138 -2.010) 2.015 9.868 ( 0.000 -0.138 2.010) 2.015 9.967 ( -0.000 0.903 -7.534) 7.588 9.967 ( -0.000 0.903 7.534) 7.588 11.307 ( -0.000 0.155 -18.847) 18.848 11.307 ( -0.000 0.155 18.847) 18.848 12.975 ( -0.000 2.797 -12.472) 12.782 12.975 ( -0.000 2.797 12.472) 12.782 15.000 ( 0.000 -0.428 -10.618) 10.627 15.000 ( 0.000 -0.428 10.618) 10.627 19.889 ( -0.000 0.579 -11.736) 11.750 19.889 ( -0.000 0.579 11.736) 11.750 30.075 ( -0.000 0.121 -12.400) 12.401 30.075 ( -0.000 0.121 12.400) 12.401 31.618 ( 0.000 -1.090 -81.274) 81.281 31.618 ( 0.000 -1.090 81.274) 81.281 84.508 ( 0.000 -2.260 -44.862) 44.919 84.508 ( 0.000 -2.260 44.862) 44.919 ======================= Grid point 1872 (511/511) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.807 ( -0.000 0.000 -21.414) 21.414 3.807 ( -0.000 0.000 21.414) 21.414 4.324 ( -0.000 0.000 -14.891) 14.891 4.324 ( -0.000 0.000 14.891) 14.891 7.727 ( -0.000 0.000 -11.328) 11.328 7.727 ( -0.000 0.000 11.328) 11.328 9.867 ( -0.000 0.000 -2.019) 2.019 9.867 ( -0.000 0.000 2.019) 2.019 9.971 ( -0.000 0.000 -5.101) 5.101 9.971 ( -0.000 0.000 5.101) 5.101 11.307 ( -0.000 0.000 -18.839) 18.839 11.307 ( -0.000 0.000 18.839) 18.839 12.989 ( -0.000 0.000 -12.833) 12.833 12.989 ( -0.000 0.000 12.833) 12.833 14.998 ( -0.000 0.000 -10.856) 10.856 14.998 ( -0.000 0.000 10.856) 10.856 19.892 ( -0.000 0.000 -11.504) 11.504 19.892 ( -0.000 0.000 11.504) 11.504 30.076 ( -0.000 0.000 -12.406) 12.406 30.076 ( -0.000 0.000 12.406) 12.406 31.612 ( -0.000 0.000 -81.307) 81.307 31.612 ( -0.000 0.000 81.307) 81.307 84.497 ( -0.000 0.000 -45.455) 45.455 84.497 ( -0.000 0.000 45.455) 45.455 =================== 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 3/73728 10.0 2706.693 9370.965 3037.342 0.000 0.000 -0.000 3/73728 20.0 3325.216 1647.809 2393.652 0.000 0.000 -0.000 3/73728 30.0 2103.713 747.657 1486.918 0.000 0.000 -0.000 3/73728 40.0 1234.883 387.484 893.855 0.000 0.000 -0.000 3/73728 50.0 759.207 222.364 558.346 0.000 0.000 -0.000 3/73728 60.0 494.647 140.157 368.737 0.000 0.000 -0.000 3/73728 70.0 341.767 95.580 257.979 0.000 0.000 -0.000 3/73728 80.0 249.123 69.432 190.116 0.000 0.000 -0.000 3/73728 90.0 190.138 53.025 146.439 0.000 0.000 -0.000 3/73728 100.0 150.786 42.132 117.022 0.000 0.000 -0.000 3/73728 110.0 123.406 34.553 96.397 0.000 0.000 -0.000 3/73728 120.0 103.638 29.068 81.421 0.000 0.000 -0.000 3/73728 130.0 88.900 24.967 70.209 0.000 0.000 -0.000 3/73728 140.0 77.602 21.812 61.592 0.000 0.000 -0.000 3/73728 150.0 68.730 19.328 54.814 0.000 0.000 -0.000 3/73728 160.0 61.617 17.331 49.375 0.000 0.000 -0.000 3/73728 170.0 55.809 15.697 44.933 0.000 0.000 -0.000 3/73728 180.0 50.991 14.338 41.248 0.000 0.000 -0.000 3/73728 190.0 46.937 13.194 38.149 0.000 0.000 -0.000 3/73728 200.0 43.485 12.217 35.510 0.000 0.000 -0.000 3/73728 210.0 40.514 11.376 33.240 0.000 0.000 -0.000 3/73728 220.0 37.930 10.643 31.266 0.000 0.000 -0.000 3/73728 230.0 35.666 10.000 29.536 0.000 0.000 -0.000 3/73728 240.0 33.665 9.431 28.007 0.000 0.000 -0.000 3/73728 250.0 31.885 8.925 26.646 0.000 0.000 -0.000 3/73728 260.0 30.291 8.471 25.427 0.000 0.000 -0.000 3/73728 270.0 28.856 8.062 24.327 0.000 0.000 -0.000 3/73728 280.0 27.557 7.692 23.331 0.000 0.000 -0.000 3/73728 290.0 26.375 7.354 22.424 0.000 0.000 -0.000 3/73728 300.0 25.296 7.046 21.593 0.000 0.000 -0.000 3/73728 310.0 24.307 6.763 20.830 0.000 0.000 -0.000 3/73728 320.0 23.396 6.503 20.126 0.000 0.000 -0.000 3/73728 330.0 22.555 6.262 19.474 0.000 0.000 -0.000 3/73728 340.0 21.775 6.039 18.868 0.000 0.000 -0.000 3/73728 350.0 21.051 5.832 18.304 0.000 0.000 -0.000 3/73728 360.0 20.376 5.639 17.776 0.000 0.000 -0.000 3/73728 370.0 19.746 5.458 17.281 0.000 0.000 -0.000 3/73728 380.0 19.155 5.289 16.817 0.000 0.000 -0.000 3/73728 390.0 18.601 5.131 16.379 0.000 0.000 -0.000 3/73728 400.0 18.080 4.982 15.966 0.000 0.000 -0.000 3/73728 410.0 17.588 4.841 15.576 0.000 0.000 -0.000 3/73728 420.0 17.125 4.709 15.206 0.000 0.000 -0.000 3/73728 430.0 16.686 4.583 14.854 0.000 0.000 -0.000 3/73728 440.0 16.270 4.464 14.520 0.000 0.000 -0.000 3/73728 450.0 15.876 4.352 14.202 0.000 0.000 -0.000 3/73728 460.0 15.501 4.245 13.899 0.000 0.000 -0.000 3/73728 470.0 15.144 4.143 13.609 0.000 0.000 -0.000 3/73728 480.0 14.804 4.046 13.332 0.000 0.000 -0.000 3/73728 490.0 14.480 3.954 13.067 0.000 0.000 -0.000 3/73728 500.0 14.170 3.866 12.813 0.000 0.000 -0.000 3/73728 510.0 13.873 3.782 12.569 0.000 0.000 -0.000 3/73728 520.0 13.589 3.701 12.335 0.000 0.000 -0.000 3/73728 530.0 13.318 3.624 12.110 0.000 0.000 -0.000 3/73728 540.0 13.057 3.550 11.893 0.000 0.000 -0.000 3/73728 550.0 12.806 3.479 11.684 0.000 0.000 -0.000 3/73728 560.0 12.565 3.411 11.483 0.000 0.000 -0.000 3/73728 570.0 12.334 3.345 11.289 0.000 0.000 -0.000 3/73728 580.0 12.111 3.282 11.101 0.000 0.000 -0.000 3/73728 590.0 11.896 3.221 10.920 0.000 0.000 -0.000 3/73728 600.0 11.689 3.163 10.745 0.000 0.000 -0.000 3/73728 610.0 11.489 3.107 10.576 0.000 0.000 -0.000 3/73728 620.0 11.296 3.052 10.412 0.000 0.000 -0.000 3/73728 630.0 11.109 3.000 10.253 0.000 0.000 -0.000 3/73728 640.0 10.929 2.949 10.099 0.000 0.000 -0.000 3/73728 650.0 10.755 2.900 9.949 0.000 0.000 -0.000 3/73728 660.0 10.586 2.853 9.804 0.000 0.000 -0.000 3/73728 670.0 10.423 2.807 9.664 0.000 0.000 -0.000 3/73728 680.0 10.264 2.762 9.527 0.000 0.000 -0.000 3/73728 690.0 10.111 2.719 9.394 0.000 0.000 -0.000 3/73728 700.0 9.962 2.678 9.265 0.000 0.000 -0.000 3/73728 710.0 9.817 2.637 9.140 0.000 0.000 -0.000 3/73728 720.0 9.676 2.598 9.017 0.000 0.000 -0.000 3/73728 730.0 9.540 2.560 8.899 0.000 0.000 -0.000 3/73728 740.0 9.408 2.523 8.783 0.000 0.000 -0.000 3/73728 750.0 9.279 2.487 8.670 0.000 0.000 -0.000 3/73728 760.0 9.153 2.452 8.560 0.000 0.000 -0.000 3/73728 770.0 9.031 2.418 8.453 0.000 0.000 -0.000 3/73728 780.0 8.913 2.385 8.349 0.000 0.000 -0.000 3/73728 790.0 8.797 2.353 8.247 0.000 0.000 -0.000 3/73728 800.0 8.684 2.322 8.147 0.000 0.000 -0.000 3/73728 810.0 8.575 2.291 8.050 0.000 0.000 -0.000 3/73728 820.0 8.468 2.262 7.955 0.000 0.000 -0.000 3/73728 830.0 8.363 2.233 7.863 0.000 0.000 -0.000 3/73728 840.0 8.261 2.205 7.773 0.000 0.000 -0.000 3/73728 850.0 8.162 2.177 7.684 0.000 0.000 -0.000 3/73728 860.0 8.065 2.150 7.598 0.000 0.000 -0.000 3/73728 870.0 7.970 2.124 7.513 0.000 0.000 -0.000 3/73728 880.0 7.878 2.099 7.431 0.000 0.000 -0.000 3/73728 890.0 7.788 2.074 7.350 0.000 0.000 -0.000 3/73728 900.0 7.699 2.050 7.271 0.000 0.000 -0.000 3/73728 910.0 7.613 2.026 7.194 0.000 0.000 -0.000 3/73728 920.0 7.529 2.003 7.118 0.000 0.000 -0.000 3/73728 930.0 7.446 1.980 7.044 0.000 0.000 -0.000 3/73728 940.0 7.366 1.958 6.971 0.000 0.000 -0.000 3/73728 950.0 7.287 1.936 6.900 0.000 0.000 -0.000 3/73728 960.0 7.209 1.915 6.830 0.000 0.000 -0.000 3/73728 970.0 7.134 1.894 6.762 0.000 0.000 -0.000 3/73728 980.0 7.060 1.874 6.695 0.000 0.000 -0.000 3/73728 990.0 6.987 1.854 6.629 0.000 0.000 -0.000 3/73728 1000.0 6.916 1.835 6.565 0.000 0.000 -0.000 3/73728 Thermal conductivity related properties were written into "kappa-m161612.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:32:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|