----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:26:04]------------------------- Compiled with OpenMP support (max 48 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.234434580151995 0.000000000000000 0.000000000000000 b 0.000000000000000 5.566783509999999 0.000000000000000 c -0.669080530451000 0.000000000000000 5.372160759010884 Atomic positions (fractional): *1 O 0.72597674726910 0.44015522348108 0.00898173907310 15.999 2 O 0.27402325273090 0.44015522348108 0.49101826092690 15.999 3 O 0.27402325273090 0.55984477651892 0.99101826092690 15.999 4 O 0.72597674726910 0.55984477651892 0.50898173907310 15.999 *5 O 0.25492722724252 0.90950279136728 0.61108438474158 15.999 6 O 0.74507277275748 0.90950279136728 0.88891561525842 15.999 7 O 0.74507277275748 0.09049720863272 0.38891561525842 15.999 8 O 0.25492722724252 0.09049720863272 0.11108438474158 15.999 *9 Nd 0.00000000000000 0.23564697887458 0.75000000000000 144.242 10 Nd 0.00000000000000 0.76435302112542 0.25000000000000 144.242 *11 Ta 0.50000000000000 0.31352039412255 0.25000000000000 180.948 12 Ta 0.50000000000000 0.68647960587746 0.75000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.234434580151995 0.000000000000000 0.000000000000000 b 0.000000000000000 5.566783509999999 0.000000000000000 c -0.669080530451000 0.000000000000000 5.372160759010884 Atomic positions (fractional): *1 O 0.72597674726910 0.44015522348108 0.00898173907310 15.999 > 1 2 O 0.27402325273090 0.44015522348108 0.49101826092690 15.999 > 2 3 O 0.27402325273090 0.55984477651892 0.99101826092690 15.999 > 3 4 O 0.72597674726910 0.55984477651892 0.50898173907310 15.999 > 4 *5 O 0.25492722724252 0.90950279136728 0.61108438474158 15.999 > 5 6 O 0.74507277275748 0.90950279136728 0.88891561525842 15.999 > 6 7 O 0.74507277275748 0.09049720863272 0.38891561525842 15.999 > 7 8 O 0.25492722724252 0.09049720863272 0.11108438474158 15.999 > 8 *9 Nd 0.00000000000000 0.23564697887458 0.75000000000000 144.242 > 9 10 Nd 0.00000000000000 0.76435302112542 0.25000000000000 144.242 > 10 *11 Ta 0.50000000000000 0.31352039412255 0.25000000000000 180.948 > 11 12 Ta 0.50000000000000 0.68647960587746 0.75000000000000 180.948 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.703303740455986 0.000000000000000 0.000000000000000 b 0.000000000000000 11.133567019999997 0.000000000000000 c -1.338161060902000 0.000000000000000 10.744321518021769 Atomic positions (fractional): *1 O 0.24199224908970 0.22007761174054 0.00449086953655 15.999 > 1 2 O 0.57532558242303 0.22007761174054 0.00449086953655 15.999 > 1 3 O 0.90865891575637 0.22007761174054 0.00449086953655 15.999 > 1 4 O 0.24199224908970 0.72007761174054 0.00449086953655 15.999 > 1 5 O 0.57532558242303 0.72007761174054 0.00449086953655 15.999 > 1 6 O 0.90865891575637 0.72007761174054 0.00449086953655 15.999 > 1 7 O 0.24199224908970 0.22007761174054 0.50449086953655 15.999 > 1 8 O 0.57532558242303 0.22007761174054 0.50449086953655 15.999 > 1 9 O 0.90865891575637 0.22007761174054 0.50449086953655 15.999 > 1 10 O 0.24199224908970 0.72007761174054 0.50449086953655 15.999 > 1 11 O 0.57532558242303 0.72007761174054 0.50449086953655 15.999 > 1 12 O 0.90865891575637 0.72007761174054 0.50449086953655 15.999 > 1 13 O 0.09134108424363 0.22007761174054 0.24550913046345 15.999 > 2 14 O 0.42467441757697 0.22007761174054 0.24550913046345 15.999 > 2 15 O 0.75800775091030 0.22007761174054 0.24550913046345 15.999 > 2 16 O 0.09134108424363 0.72007761174054 0.24550913046345 15.999 > 2 17 O 0.42467441757697 0.72007761174054 0.24550913046345 15.999 > 2 18 O 0.75800775091030 0.72007761174054 0.24550913046345 15.999 > 2 19 O 0.09134108424363 0.22007761174054 0.74550913046345 15.999 > 2 20 O 0.42467441757697 0.22007761174054 0.74550913046345 15.999 > 2 21 O 0.75800775091030 0.22007761174054 0.74550913046345 15.999 > 2 22 O 0.09134108424363 0.72007761174054 0.74550913046345 15.999 > 2 23 O 0.42467441757697 0.72007761174054 0.74550913046345 15.999 > 2 24 O 0.75800775091030 0.72007761174054 0.74550913046345 15.999 > 2 25 O 0.09134108424363 0.27992238825946 0.49550913046345 15.999 > 3 26 O 0.42467441757697 0.27992238825946 0.49550913046345 15.999 > 3 27 O 0.75800775091030 0.27992238825946 0.49550913046345 15.999 > 3 28 O 0.09134108424363 0.77992238825946 0.49550913046345 15.999 > 3 29 O 0.42467441757697 0.77992238825946 0.49550913046345 15.999 > 3 30 O 0.75800775091030 0.77992238825946 0.49550913046345 15.999 > 3 31 O 0.09134108424363 0.27992238825946 0.99550913046345 15.999 > 3 32 O 0.42467441757697 0.27992238825946 0.99550913046345 15.999 > 3 33 O 0.75800775091030 0.27992238825946 0.99550913046345 15.999 > 3 34 O 0.09134108424363 0.77992238825946 0.99550913046345 15.999 > 3 35 O 0.42467441757697 0.77992238825946 0.99550913046345 15.999 > 3 36 O 0.75800775091030 0.77992238825946 0.99550913046345 15.999 > 3 37 O 0.24199224908970 0.27992238825946 0.25449086953655 15.999 > 4 38 O 0.57532558242303 0.27992238825946 0.25449086953655 15.999 > 4 39 O 0.90865891575637 0.27992238825946 0.25449086953655 15.999 > 4 40 O 0.24199224908970 0.77992238825946 0.25449086953655 15.999 > 4 41 O 0.57532558242303 0.77992238825946 0.25449086953655 15.999 > 4 42 O 0.90865891575637 0.77992238825946 0.25449086953655 15.999 > 4 43 O 0.24199224908970 0.27992238825946 0.75449086953655 15.999 > 4 44 O 0.57532558242303 0.27992238825946 0.75449086953655 15.999 > 4 45 O 0.90865891575637 0.27992238825946 0.75449086953655 15.999 > 4 46 O 0.24199224908970 0.77992238825946 0.75449086953655 15.999 > 4 47 O 0.57532558242303 0.77992238825946 0.75449086953655 15.999 > 4 48 O 0.90865891575637 0.77992238825946 0.75449086953655 15.999 > 4 *49 O 0.08497574241417 0.45475139568364 0.30554219237079 15.999 > 5 50 O 0.41830907574751 0.45475139568364 0.30554219237079 15.999 > 5 51 O 0.75164240908084 0.45475139568364 0.30554219237079 15.999 > 5 52 O 0.08497574241417 0.95475139568364 0.30554219237079 15.999 > 5 53 O 0.41830907574751 0.95475139568364 0.30554219237079 15.999 > 5 54 O 0.75164240908084 0.95475139568364 0.30554219237079 15.999 > 5 55 O 0.08497574241417 0.45475139568364 0.80554219237079 15.999 > 5 56 O 0.41830907574751 0.45475139568364 0.80554219237079 15.999 > 5 57 O 0.75164240908084 0.45475139568364 0.80554219237079 15.999 > 5 58 O 0.08497574241417 0.95475139568364 0.80554219237079 15.999 > 5 59 O 0.41830907574751 0.95475139568364 0.80554219237079 15.999 > 5 60 O 0.75164240908084 0.95475139568364 0.80554219237079 15.999 > 5 61 O 0.24835759091916 0.45475139568364 0.44445780762921 15.999 > 6 62 O 0.58169092425249 0.45475139568364 0.44445780762921 15.999 > 6 63 O 0.91502425758583 0.45475139568364 0.44445780762921 15.999 > 6 64 O 0.24835759091916 0.95475139568364 0.44445780762921 15.999 > 6 65 O 0.58169092425249 0.95475139568364 0.44445780762921 15.999 > 6 66 O 0.91502425758583 0.95475139568364 0.44445780762921 15.999 > 6 67 O 0.24835759091916 0.45475139568364 0.94445780762921 15.999 > 6 68 O 0.58169092425249 0.45475139568364 0.94445780762921 15.999 > 6 69 O 0.91502425758583 0.45475139568364 0.94445780762921 15.999 > 6 70 O 0.24835759091916 0.95475139568364 0.94445780762921 15.999 > 6 71 O 0.58169092425249 0.95475139568364 0.94445780762921 15.999 > 6 72 O 0.91502425758583 0.95475139568364 0.94445780762921 15.999 > 6 73 O 0.24835759091916 0.04524860431636 0.19445780762921 15.999 > 7 74 O 0.58169092425249 0.04524860431636 0.19445780762921 15.999 > 7 75 O 0.91502425758583 0.04524860431636 0.19445780762921 15.999 > 7 76 O 0.24835759091916 0.54524860431636 0.19445780762921 15.999 > 7 77 O 0.58169092425249 0.54524860431636 0.19445780762921 15.999 > 7 78 O 0.91502425758583 0.54524860431636 0.19445780762921 15.999 > 7 79 O 0.24835759091916 0.04524860431636 0.69445780762921 15.999 > 7 80 O 0.58169092425249 0.04524860431636 0.69445780762921 15.999 > 7 81 O 0.91502425758583 0.04524860431636 0.69445780762921 15.999 > 7 82 O 0.24835759091916 0.54524860431636 0.69445780762921 15.999 > 7 83 O 0.58169092425249 0.54524860431636 0.69445780762921 15.999 > 7 84 O 0.91502425758583 0.54524860431636 0.69445780762921 15.999 > 7 85 O 0.08497574241417 0.04524860431636 0.05554219237079 15.999 > 8 86 O 0.41830907574751 0.04524860431636 0.05554219237079 15.999 > 8 87 O 0.75164240908084 0.04524860431636 0.05554219237079 15.999 > 8 88 O 0.08497574241417 0.54524860431636 0.05554219237079 15.999 > 8 89 O 0.41830907574751 0.54524860431636 0.05554219237079 15.999 > 8 90 O 0.75164240908084 0.54524860431636 0.05554219237079 15.999 > 8 91 O 0.08497574241417 0.04524860431636 0.55554219237079 15.999 > 8 92 O 0.41830907574751 0.04524860431636 0.55554219237079 15.999 > 8 93 O 0.75164240908084 0.04524860431636 0.55554219237079 15.999 > 8 94 O 0.08497574241417 0.54524860431636 0.55554219237079 15.999 > 8 95 O 0.41830907574751 0.54524860431636 0.55554219237079 15.999 > 8 96 O 0.75164240908084 0.54524860431636 0.55554219237079 15.999 > 8 *97 Nd 0.00000000000000 0.11782348943729 0.37500000000000 144.242 > 9 98 Nd 0.33333333333333 0.11782348943729 0.37500000000000 144.242 > 9 99 Nd 0.66666666666667 0.11782348943729 0.37500000000000 144.242 > 9 100 Nd 0.00000000000000 0.61782348943729 0.37500000000000 144.242 > 9 101 Nd 0.33333333333333 0.61782348943729 0.37500000000000 144.242 > 9 102 Nd 0.66666666666667 0.61782348943729 0.37500000000000 144.242 > 9 103 Nd 0.00000000000000 0.11782348943729 0.87500000000000 144.242 > 9 104 Nd 0.33333333333333 0.11782348943729 0.87500000000000 144.242 > 9 105 Nd 0.66666666666667 0.11782348943729 0.87500000000000 144.242 > 9 106 Nd 0.00000000000000 0.61782348943729 0.87500000000000 144.242 > 9 107 Nd 0.33333333333333 0.61782348943729 0.87500000000000 144.242 > 9 108 Nd 0.66666666666667 0.61782348943729 0.87500000000000 144.242 > 9 109 Nd 0.00000000000000 0.38217651056271 0.12500000000000 144.242 > 10 110 Nd 0.33333333333333 0.38217651056271 0.12500000000000 144.242 > 10 111 Nd 0.66666666666667 0.38217651056271 0.12500000000000 144.242 > 10 112 Nd 0.00000000000000 0.88217651056271 0.12500000000000 144.242 > 10 113 Nd 0.33333333333333 0.88217651056271 0.12500000000000 144.242 > 10 114 Nd 0.66666666666667 0.88217651056271 0.12500000000000 144.242 > 10 115 Nd 0.00000000000000 0.38217651056271 0.62500000000000 144.242 > 10 116 Nd 0.33333333333333 0.38217651056271 0.62500000000000 144.242 > 10 117 Nd 0.66666666666667 0.38217651056271 0.62500000000000 144.242 > 10 118 Nd 0.00000000000000 0.88217651056271 0.62500000000000 144.242 > 10 119 Nd 0.33333333333333 0.88217651056271 0.62500000000000 144.242 > 10 120 Nd 0.66666666666667 0.88217651056271 0.62500000000000 144.242 > 10 *121 Ta 0.16666666666667 0.15676019706127 0.12500000000000 180.948 > 11 122 Ta 0.50000000000000 0.15676019706127 0.12500000000000 180.948 > 11 123 Ta 0.83333333333333 0.15676019706127 0.12500000000000 180.948 > 11 124 Ta 0.16666666666667 0.65676019706127 0.12500000000000 180.948 > 11 125 Ta 0.50000000000000 0.65676019706127 0.12500000000000 180.948 > 11 126 Ta 0.83333333333333 0.65676019706127 0.12500000000000 180.948 > 11 127 Ta 0.16666666666667 0.15676019706127 0.62500000000000 180.948 > 11 128 Ta 0.50000000000000 0.15676019706127 0.62500000000000 180.948 > 11 129 Ta 0.83333333333333 0.15676019706127 0.62500000000000 180.948 > 11 130 Ta 0.16666666666667 0.65676019706127 0.62500000000000 180.948 > 11 131 Ta 0.50000000000000 0.65676019706127 0.62500000000000 180.948 > 11 132 Ta 0.83333333333333 0.65676019706127 0.62500000000000 180.948 > 11 133 Ta 0.16666666666667 0.34323980293873 0.37500000000000 180.948 > 12 134 Ta 0.50000000000000 0.34323980293873 0.37500000000000 180.948 > 12 135 Ta 0.83333333333333 0.34323980293873 0.37500000000000 180.948 > 12 136 Ta 0.16666666666667 0.84323980293873 0.37500000000000 180.948 > 12 137 Ta 0.50000000000000 0.84323980293873 0.37500000000000 180.948 > 12 138 Ta 0.83333333333333 0.84323980293873 0.37500000000000 180.948 > 12 139 Ta 0.16666666666667 0.34323980293873 0.87500000000000 180.948 > 12 140 Ta 0.50000000000000 0.34323980293873 0.87500000000000 180.948 > 12 141 Ta 0.83333333333333 0.34323980293873 0.87500000000000 180.948 > 12 142 Ta 0.16666666666667 0.84323980293873 0.87500000000000 180.948 > 12 143 Ta 0.50000000000000 0.84323980293873 0.87500000000000 180.948 > 12 144 Ta 0.83333333333333 0.84323980293873 0.87500000000000 180.948 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9519561 0.0000000 0.2475069 0.0000000 4.6032361 0.0000000 0.2475070 0.0000000 4.6370094 -------------------------- Born effective charges -------------------------- 1 O -2.6082811 -0.0690705 0.5577497 0.0153767 -2.0737837 0.5232221 0.5777910 0.5167439 -2.6071276 2 O -2.6082811 0.0690705 0.5577497 -0.0153767 -2.0737837 -0.5232221 0.5777910 -0.5167439 -2.6071276 3 O -2.6082811 -0.0690705 0.5577497 0.0153767 -2.0737837 0.5232221 0.5777910 0.5167439 -2.6071276 4 O -2.6082811 0.0690705 0.5577497 -0.0153767 -2.0737837 -0.5232221 0.5777910 -0.5167439 -2.6071276 5 O -2.6479370 1.2302577 -0.8852042 1.2222892 -2.6385895 0.2507091 -0.9809562 0.2859096 -2.1098233 6 O -2.6479370 -1.2302577 -0.8852042 -1.2222892 -2.6385895 -0.2507091 -0.9809562 -0.2859096 -2.1098233 7 O -2.6479370 1.2302577 -0.8852042 1.2222892 -2.6385895 0.2507091 -0.9809562 0.2859096 -2.1098233 8 O -2.6479370 -1.2302577 -0.8852042 -1.2222892 -2.6385895 -0.2507091 -0.9809562 -0.2859096 -2.1098233 9 Nd 4.7815311 0.0000000 0.2085347 0.0000000 4.0346728 0.0000000 0.2234132 0.0000000 4.2096733 10 Nd 4.7815311 0.0000000 0.2085347 0.0000000 4.0346728 0.0000000 0.2234132 0.0000000 4.2096733 11 Ta 5.7309050 0.0000000 0.4463743 0.0000000 5.3900735 0.0000000 0.5829173 0.0000000 5.2242284 12 Ta 5.7309050 0.0000000 0.4463743 0.0000000 5.3900735 0.0000000 0.5829173 0.0000000 5.2242284 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 400 - Time: 0.725 Solver_block: 200 / 400 - Time: 0.715 Solver_block: 300 / 400 - Time: 0.701 Solver_block: 400 / 400 - Time: 0.708 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.913 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:26:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:26:24]------------------------- Compiled with OpenMP support (max 48 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.234434580151995 0.000000000000000 0.000000000000000 b 0.000000000000000 5.566783509999999 0.000000000000000 c -0.669080530451000 0.000000000000000 5.372160759010884 Atomic positions (fractional): 1 O 0.72597674726910 0.44015522348108 0.00898173907310 15.999 2 O 0.27402325273090 0.44015522348108 0.49101826092690 15.999 3 O 0.27402325273090 0.55984477651892 0.99101826092690 15.999 4 O 0.72597674726910 0.55984477651892 0.50898173907310 15.999 5 O 0.25492722724252 0.90950279136728 0.61108438474158 15.999 6 O 0.74507277275748 0.90950279136728 0.88891561525842 15.999 7 O 0.74507277275748 0.09049720863272 0.38891561525842 15.999 8 O 0.25492722724252 0.09049720863272 0.11108438474158 15.999 9 Nd 0.00000000000000 0.23564697887458 0.75000000000000 144.242 10 Nd 0.00000000000000 0.76435302112542 0.25000000000000 144.242 11 Ta 0.50000000000000 0.31352039412255 0.25000000000000 180.948 12 Ta 0.50000000000000 0.68647960587746 0.75000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.703303740455986 0.000000000000000 0.000000000000000 b 0.000000000000000 11.133567019999997 0.000000000000000 c -1.338161060902000 0.000000000000000 10.744321518021769 Atomic positions (fractional): 1 O 0.24199224908970 0.22007761174054 0.00449086953655 15.999 > 1 2 O 0.57532558242303 0.22007761174054 0.00449086953655 15.999 > 1 3 O 0.90865891575637 0.22007761174054 0.00449086953655 15.999 > 1 4 O 0.24199224908970 0.72007761174054 0.00449086953655 15.999 > 1 5 O 0.57532558242303 0.72007761174054 0.00449086953655 15.999 > 1 6 O 0.90865891575637 0.72007761174054 0.00449086953655 15.999 > 1 7 O 0.24199224908970 0.22007761174054 0.50449086953655 15.999 > 1 8 O 0.57532558242303 0.22007761174054 0.50449086953655 15.999 > 1 9 O 0.90865891575637 0.22007761174054 0.50449086953655 15.999 > 1 10 O 0.24199224908970 0.72007761174054 0.50449086953655 15.999 > 1 11 O 0.57532558242303 0.72007761174054 0.50449086953655 15.999 > 1 12 O 0.90865891575637 0.72007761174054 0.50449086953655 15.999 > 1 13 O 0.09134108424363 0.22007761174054 0.24550913046345 15.999 > 13 14 O 0.42467441757697 0.22007761174054 0.24550913046345 15.999 > 13 15 O 0.75800775091030 0.22007761174054 0.24550913046345 15.999 > 13 16 O 0.09134108424363 0.72007761174054 0.24550913046345 15.999 > 13 17 O 0.42467441757697 0.72007761174054 0.24550913046345 15.999 > 13 18 O 0.75800775091030 0.72007761174054 0.24550913046345 15.999 > 13 19 O 0.09134108424363 0.22007761174054 0.74550913046345 15.999 > 13 20 O 0.42467441757697 0.22007761174054 0.74550913046345 15.999 > 13 21 O 0.75800775091030 0.22007761174054 0.74550913046345 15.999 > 13 22 O 0.09134108424363 0.72007761174054 0.74550913046345 15.999 > 13 23 O 0.42467441757697 0.72007761174054 0.74550913046345 15.999 > 13 24 O 0.75800775091030 0.72007761174054 0.74550913046345 15.999 > 13 25 O 0.09134108424363 0.27992238825946 0.49550913046345 15.999 > 25 26 O 0.42467441757697 0.27992238825946 0.49550913046345 15.999 > 25 27 O 0.75800775091030 0.27992238825946 0.49550913046345 15.999 > 25 28 O 0.09134108424363 0.77992238825946 0.49550913046345 15.999 > 25 29 O 0.42467441757697 0.77992238825946 0.49550913046345 15.999 > 25 30 O 0.75800775091030 0.77992238825946 0.49550913046345 15.999 > 25 31 O 0.09134108424363 0.27992238825946 0.99550913046345 15.999 > 25 32 O 0.42467441757697 0.27992238825946 0.99550913046345 15.999 > 25 33 O 0.75800775091030 0.27992238825946 0.99550913046345 15.999 > 25 34 O 0.09134108424363 0.77992238825946 0.99550913046345 15.999 > 25 35 O 0.42467441757697 0.77992238825946 0.99550913046345 15.999 > 25 36 O 0.75800775091030 0.77992238825946 0.99550913046345 15.999 > 25 37 O 0.24199224908970 0.27992238825946 0.25449086953655 15.999 > 37 38 O 0.57532558242303 0.27992238825946 0.25449086953655 15.999 > 37 39 O 0.90865891575637 0.27992238825946 0.25449086953655 15.999 > 37 40 O 0.24199224908970 0.77992238825946 0.25449086953655 15.999 > 37 41 O 0.57532558242303 0.77992238825946 0.25449086953655 15.999 > 37 42 O 0.90865891575637 0.77992238825946 0.25449086953655 15.999 > 37 43 O 0.24199224908970 0.27992238825946 0.75449086953655 15.999 > 37 44 O 0.57532558242303 0.27992238825946 0.75449086953655 15.999 > 37 45 O 0.90865891575637 0.27992238825946 0.75449086953655 15.999 > 37 46 O 0.24199224908970 0.77992238825946 0.75449086953655 15.999 > 37 47 O 0.57532558242303 0.77992238825946 0.75449086953655 15.999 > 37 48 O 0.90865891575637 0.77992238825946 0.75449086953655 15.999 > 37 49 O 0.08497574241417 0.45475139568364 0.30554219237079 15.999 > 49 50 O 0.41830907574751 0.45475139568364 0.30554219237079 15.999 > 49 51 O 0.75164240908084 0.45475139568364 0.30554219237079 15.999 > 49 52 O 0.08497574241417 0.95475139568364 0.30554219237079 15.999 > 49 53 O 0.41830907574751 0.95475139568364 0.30554219237079 15.999 > 49 54 O 0.75164240908084 0.95475139568364 0.30554219237079 15.999 > 49 55 O 0.08497574241417 0.45475139568364 0.80554219237079 15.999 > 49 56 O 0.41830907574751 0.45475139568364 0.80554219237079 15.999 > 49 57 O 0.75164240908084 0.45475139568364 0.80554219237079 15.999 > 49 58 O 0.08497574241417 0.95475139568364 0.80554219237079 15.999 > 49 59 O 0.41830907574751 0.95475139568364 0.80554219237079 15.999 > 49 60 O 0.75164240908084 0.95475139568364 0.80554219237079 15.999 > 49 61 O 0.24835759091916 0.45475139568364 0.44445780762921 15.999 > 61 62 O 0.58169092425249 0.45475139568364 0.44445780762921 15.999 > 61 63 O 0.91502425758583 0.45475139568364 0.44445780762921 15.999 > 61 64 O 0.24835759091916 0.95475139568364 0.44445780762921 15.999 > 61 65 O 0.58169092425249 0.95475139568364 0.44445780762921 15.999 > 61 66 O 0.91502425758583 0.95475139568364 0.44445780762921 15.999 > 61 67 O 0.24835759091916 0.45475139568364 0.94445780762921 15.999 > 61 68 O 0.58169092425249 0.45475139568364 0.94445780762921 15.999 > 61 69 O 0.91502425758583 0.45475139568364 0.94445780762921 15.999 > 61 70 O 0.24835759091916 0.95475139568364 0.94445780762921 15.999 > 61 71 O 0.58169092425249 0.95475139568364 0.94445780762921 15.999 > 61 72 O 0.91502425758583 0.95475139568364 0.94445780762921 15.999 > 61 73 O 0.24835759091916 0.04524860431636 0.19445780762921 15.999 > 73 74 O 0.58169092425249 0.04524860431636 0.19445780762921 15.999 > 73 75 O 0.91502425758583 0.04524860431636 0.19445780762921 15.999 > 73 76 O 0.24835759091916 0.54524860431636 0.19445780762921 15.999 > 73 77 O 0.58169092425249 0.54524860431636 0.19445780762921 15.999 > 73 78 O 0.91502425758583 0.54524860431636 0.19445780762921 15.999 > 73 79 O 0.24835759091916 0.04524860431636 0.69445780762921 15.999 > 73 80 O 0.58169092425249 0.04524860431636 0.69445780762921 15.999 > 73 81 O 0.91502425758583 0.04524860431636 0.69445780762921 15.999 > 73 82 O 0.24835759091916 0.54524860431636 0.69445780762921 15.999 > 73 83 O 0.58169092425249 0.54524860431636 0.69445780762921 15.999 > 73 84 O 0.91502425758583 0.54524860431636 0.69445780762921 15.999 > 73 85 O 0.08497574241417 0.04524860431636 0.05554219237079 15.999 > 85 86 O 0.41830907574751 0.04524860431636 0.05554219237079 15.999 > 85 87 O 0.75164240908084 0.04524860431636 0.05554219237079 15.999 > 85 88 O 0.08497574241417 0.54524860431636 0.05554219237079 15.999 > 85 89 O 0.41830907574751 0.54524860431636 0.05554219237079 15.999 > 85 90 O 0.75164240908084 0.54524860431636 0.05554219237079 15.999 > 85 91 O 0.08497574241417 0.04524860431636 0.55554219237079 15.999 > 85 92 O 0.41830907574751 0.04524860431636 0.55554219237079 15.999 > 85 93 O 0.75164240908084 0.04524860431636 0.55554219237079 15.999 > 85 94 O 0.08497574241417 0.54524860431636 0.55554219237079 15.999 > 85 95 O 0.41830907574751 0.54524860431636 0.55554219237079 15.999 > 85 96 O 0.75164240908084 0.54524860431636 0.55554219237079 15.999 > 85 97 Nd 0.00000000000000 0.11782348943729 0.37500000000000 144.242 > 97 98 Nd 0.33333333333333 0.11782348943729 0.37500000000000 144.242 > 97 99 Nd 0.66666666666667 0.11782348943729 0.37500000000000 144.242 > 97 100 Nd 0.00000000000000 0.61782348943729 0.37500000000000 144.242 > 97 101 Nd 0.33333333333333 0.61782348943729 0.37500000000000 144.242 > 97 102 Nd 0.66666666666667 0.61782348943729 0.37500000000000 144.242 > 97 103 Nd 0.00000000000000 0.11782348943729 0.87500000000000 144.242 > 97 104 Nd 0.33333333333333 0.11782348943729 0.87500000000000 144.242 > 97 105 Nd 0.66666666666667 0.11782348943729 0.87500000000000 144.242 > 97 106 Nd 0.00000000000000 0.61782348943729 0.87500000000000 144.242 > 97 107 Nd 0.33333333333333 0.61782348943729 0.87500000000000 144.242 > 97 108 Nd 0.66666666666667 0.61782348943729 0.87500000000000 144.242 > 97 109 Nd 0.00000000000000 0.38217651056271 0.12500000000000 144.242 > 109 110 Nd 0.33333333333333 0.38217651056271 0.12500000000000 144.242 > 109 111 Nd 0.66666666666667 0.38217651056271 0.12500000000000 144.242 > 109 112 Nd 0.00000000000000 0.88217651056271 0.12500000000000 144.242 > 109 113 Nd 0.33333333333333 0.88217651056271 0.12500000000000 144.242 > 109 114 Nd 0.66666666666667 0.88217651056271 0.12500000000000 144.242 > 109 115 Nd 0.00000000000000 0.38217651056271 0.62500000000000 144.242 > 109 116 Nd 0.33333333333333 0.38217651056271 0.62500000000000 144.242 > 109 117 Nd 0.66666666666667 0.38217651056271 0.62500000000000 144.242 > 109 118 Nd 0.00000000000000 0.88217651056271 0.62500000000000 144.242 > 109 119 Nd 0.33333333333333 0.88217651056271 0.62500000000000 144.242 > 109 120 Nd 0.66666666666667 0.88217651056271 0.62500000000000 144.242 > 109 121 Ta 0.16666666666667 0.15676019706127 0.12500000000000 180.948 > 121 122 Ta 0.50000000000000 0.15676019706127 0.12500000000000 180.948 > 121 123 Ta 0.83333333333333 0.15676019706127 0.12500000000000 180.948 > 121 124 Ta 0.16666666666667 0.65676019706127 0.12500000000000 180.948 > 121 125 Ta 0.50000000000000 0.65676019706127 0.12500000000000 180.948 > 121 126 Ta 0.83333333333333 0.65676019706127 0.12500000000000 180.948 > 121 127 Ta 0.16666666666667 0.15676019706127 0.62500000000000 180.948 > 121 128 Ta 0.50000000000000 0.15676019706127 0.62500000000000 180.948 > 121 129 Ta 0.83333333333333 0.15676019706127 0.62500000000000 180.948 > 121 130 Ta 0.16666666666667 0.65676019706127 0.62500000000000 180.948 > 121 131 Ta 0.50000000000000 0.65676019706127 0.62500000000000 180.948 > 121 132 Ta 0.83333333333333 0.65676019706127 0.62500000000000 180.948 > 121 133 Ta 0.16666666666667 0.34323980293873 0.37500000000000 180.948 > 133 134 Ta 0.50000000000000 0.34323980293873 0.37500000000000 180.948 > 133 135 Ta 0.83333333333333 0.34323980293873 0.37500000000000 180.948 > 133 136 Ta 0.16666666666667 0.84323980293873 0.37500000000000 180.948 > 133 137 Ta 0.50000000000000 0.84323980293873 0.37500000000000 180.948 > 133 138 Ta 0.83333333333333 0.84323980293873 0.37500000000000 180.948 > 133 139 Ta 0.16666666666667 0.34323980293873 0.87500000000000 180.948 > 133 140 Ta 0.50000000000000 0.34323980293873 0.87500000000000 180.948 > 133 141 Ta 0.83333333333333 0.34323980293873 0.87500000000000 180.948 > 133 142 Ta 0.16666666666667 0.84323980293873 0.87500000000000 180.948 > 133 143 Ta 0.50000000000000 0.84323980293873 0.87500000000000 180.948 > 133 144 Ta 0.83333333333333 0.84323980293873 0.87500000000000 180.948 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9519561 0.0000000 0.2475069 0.0000000 4.6032361 0.0000000 0.2475070 0.0000000 4.6370094 -------------------------- Born effective charges -------------------------- 1 O -2.6082811 -0.0690705 0.5577497 0.0153767 -2.0737837 0.5232221 0.5777910 0.5167439 -2.6071276 2 O -2.6082811 0.0690705 0.5577497 -0.0153767 -2.0737837 -0.5232221 0.5777910 -0.5167439 -2.6071276 3 O -2.6082811 -0.0690705 0.5577497 0.0153767 -2.0737837 0.5232221 0.5777910 0.5167439 -2.6071276 4 O -2.6082811 0.0690705 0.5577497 -0.0153767 -2.0737837 -0.5232221 0.5777910 -0.5167439 -2.6071276 5 O -2.6479370 1.2302577 -0.8852042 1.2222892 -2.6385895 0.2507091 -0.9809562 0.2859096 -2.1098233 6 O -2.6479370 -1.2302577 -0.8852042 -1.2222892 -2.6385895 -0.2507091 -0.9809562 -0.2859096 -2.1098233 7 O -2.6479370 1.2302577 -0.8852042 1.2222892 -2.6385895 0.2507091 -0.9809562 0.2859096 -2.1098233 8 O -2.6479370 -1.2302577 -0.8852042 -1.2222892 -2.6385895 -0.2507091 -0.9809562 -0.2859096 -2.1098233 9 Nd 4.7815311 0.0000000 0.2085347 0.0000000 4.0346728 0.0000000 0.2234132 0.0000000 4.2096733 10 Nd 4.7815311 0.0000000 0.2085347 0.0000000 4.0346728 0.0000000 0.2234132 0.0000000 4.2096733 11 Ta 5.7309050 0.0000000 0.4463743 0.0000000 5.3900735 0.0000000 0.5829173 0.0000000 5.2242284 12 Ta 5.7309050 0.0000000 0.4463743 0.0000000 5.3900735 0.0000000 0.5829173 0.0000000 5.2242284 ---------------------------------------------------------------------------- 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 121, 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xyx) -0.00000002 (xyx) -0.00000002 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:26:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:26:45]------------------------- Compiled with OpenMP support (max 48 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.234434580151995 0.000000000000000 0.000000000000000 b 0.000000000000000 5.566783509999999 0.000000000000000 c -0.669080530451000 0.000000000000000 5.372160759010884 Atomic positions (fractional): 1 O 0.72597674726910 0.44015522348108 0.00898173907310 15.999 2 O 0.27402325273090 0.44015522348108 0.49101826092690 15.999 3 O 0.27402325273090 0.55984477651892 0.99101826092690 15.999 4 O 0.72597674726910 0.55984477651892 0.50898173907310 15.999 5 O 0.25492722724252 0.90950279136728 0.61108438474158 15.999 6 O 0.74507277275748 0.90950279136728 0.88891561525842 15.999 7 O 0.74507277275748 0.09049720863272 0.38891561525842 15.999 8 O 0.25492722724252 0.09049720863272 0.11108438474158 15.999 9 Nd 0.00000000000000 0.23564697887458 0.75000000000000 144.242 10 Nd 0.00000000000000 0.76435302112542 0.25000000000000 144.242 11 Ta 0.50000000000000 0.31352039412255 0.25000000000000 180.948 12 Ta 0.50000000000000 0.68647960587746 0.75000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.703303740455986 0.000000000000000 0.000000000000000 b 0.000000000000000 11.133567019999997 0.000000000000000 c -1.338161060902000 0.000000000000000 10.744321518021769 Atomic positions (fractional): 1 O 0.24199224908970 0.22007761174054 0.00449086953655 15.999 > 1 2 O 0.57532558242303 0.22007761174054 0.00449086953655 15.999 > 1 3 O 0.90865891575637 0.22007761174054 0.00449086953655 15.999 > 1 4 O 0.24199224908970 0.72007761174054 0.00449086953655 15.999 > 1 5 O 0.57532558242303 0.72007761174054 0.00449086953655 15.999 > 1 6 O 0.90865891575637 0.72007761174054 0.00449086953655 15.999 > 1 7 O 0.24199224908970 0.22007761174054 0.50449086953655 15.999 > 1 8 O 0.57532558242303 0.22007761174054 0.50449086953655 15.999 > 1 9 O 0.90865891575637 0.22007761174054 0.50449086953655 15.999 > 1 10 O 0.24199224908970 0.72007761174054 0.50449086953655 15.999 > 1 11 O 0.57532558242303 0.72007761174054 0.50449086953655 15.999 > 1 12 O 0.90865891575637 0.72007761174054 0.50449086953655 15.999 > 1 13 O 0.09134108424363 0.22007761174054 0.24550913046345 15.999 > 13 14 O 0.42467441757697 0.22007761174054 0.24550913046345 15.999 > 13 15 O 0.75800775091030 0.22007761174054 0.24550913046345 15.999 > 13 16 O 0.09134108424363 0.72007761174054 0.24550913046345 15.999 > 13 17 O 0.42467441757697 0.72007761174054 0.24550913046345 15.999 > 13 18 O 0.75800775091030 0.72007761174054 0.24550913046345 15.999 > 13 19 O 0.09134108424363 0.22007761174054 0.74550913046345 15.999 > 13 20 O 0.42467441757697 0.22007761174054 0.74550913046345 15.999 > 13 21 O 0.75800775091030 0.22007761174054 0.74550913046345 15.999 > 13 22 O 0.09134108424363 0.72007761174054 0.74550913046345 15.999 > 13 23 O 0.42467441757697 0.72007761174054 0.74550913046345 15.999 > 13 24 O 0.75800775091030 0.72007761174054 0.74550913046345 15.999 > 13 25 O 0.09134108424363 0.27992238825946 0.49550913046345 15.999 > 25 26 O 0.42467441757697 0.27992238825946 0.49550913046345 15.999 > 25 27 O 0.75800775091030 0.27992238825946 0.49550913046345 15.999 > 25 28 O 0.09134108424363 0.77992238825946 0.49550913046345 15.999 > 25 29 O 0.42467441757697 0.77992238825946 0.49550913046345 15.999 > 25 30 O 0.75800775091030 0.77992238825946 0.49550913046345 15.999 > 25 31 O 0.09134108424363 0.27992238825946 0.99550913046345 15.999 > 25 32 O 0.42467441757697 0.27992238825946 0.99550913046345 15.999 > 25 33 O 0.75800775091030 0.27992238825946 0.99550913046345 15.999 > 25 34 O 0.09134108424363 0.77992238825946 0.99550913046345 15.999 > 25 35 O 0.42467441757697 0.77992238825946 0.99550913046345 15.999 > 25 36 O 0.75800775091030 0.77992238825946 0.99550913046345 15.999 > 25 37 O 0.24199224908970 0.27992238825946 0.25449086953655 15.999 > 37 38 O 0.57532558242303 0.27992238825946 0.25449086953655 15.999 > 37 39 O 0.90865891575637 0.27992238825946 0.25449086953655 15.999 > 37 40 O 0.24199224908970 0.77992238825946 0.25449086953655 15.999 > 37 41 O 0.57532558242303 0.77992238825946 0.25449086953655 15.999 > 37 42 O 0.90865891575637 0.77992238825946 0.25449086953655 15.999 > 37 43 O 0.24199224908970 0.27992238825946 0.75449086953655 15.999 > 37 44 O 0.57532558242303 0.27992238825946 0.75449086953655 15.999 > 37 45 O 0.90865891575637 0.27992238825946 0.75449086953655 15.999 > 37 46 O 0.24199224908970 0.77992238825946 0.75449086953655 15.999 > 37 47 O 0.57532558242303 0.77992238825946 0.75449086953655 15.999 > 37 48 O 0.90865891575637 0.77992238825946 0.75449086953655 15.999 > 37 49 O 0.08497574241417 0.45475139568364 0.30554219237079 15.999 > 49 50 O 0.41830907574751 0.45475139568364 0.30554219237079 15.999 > 49 51 O 0.75164240908084 0.45475139568364 0.30554219237079 15.999 > 49 52 O 0.08497574241417 0.95475139568364 0.30554219237079 15.999 > 49 53 O 0.41830907574751 0.95475139568364 0.30554219237079 15.999 > 49 54 O 0.75164240908084 0.95475139568364 0.30554219237079 15.999 > 49 55 O 0.08497574241417 0.45475139568364 0.80554219237079 15.999 > 49 56 O 0.41830907574751 0.45475139568364 0.80554219237079 15.999 > 49 57 O 0.75164240908084 0.45475139568364 0.80554219237079 15.999 > 49 58 O 0.08497574241417 0.95475139568364 0.80554219237079 15.999 > 49 59 O 0.41830907574751 0.95475139568364 0.80554219237079 15.999 > 49 60 O 0.75164240908084 0.95475139568364 0.80554219237079 15.999 > 49 61 O 0.24835759091916 0.45475139568364 0.44445780762921 15.999 > 61 62 O 0.58169092425249 0.45475139568364 0.44445780762921 15.999 > 61 63 O 0.91502425758583 0.45475139568364 0.44445780762921 15.999 > 61 64 O 0.24835759091916 0.95475139568364 0.44445780762921 15.999 > 61 65 O 0.58169092425249 0.95475139568364 0.44445780762921 15.999 > 61 66 O 0.91502425758583 0.95475139568364 0.44445780762921 15.999 > 61 67 O 0.24835759091916 0.45475139568364 0.94445780762921 15.999 > 61 68 O 0.58169092425249 0.45475139568364 0.94445780762921 15.999 > 61 69 O 0.91502425758583 0.45475139568364 0.94445780762921 15.999 > 61 70 O 0.24835759091916 0.95475139568364 0.94445780762921 15.999 > 61 71 O 0.58169092425249 0.95475139568364 0.94445780762921 15.999 > 61 72 O 0.91502425758583 0.95475139568364 0.94445780762921 15.999 > 61 73 O 0.24835759091916 0.04524860431636 0.19445780762921 15.999 > 73 74 O 0.58169092425249 0.04524860431636 0.19445780762921 15.999 > 73 75 O 0.91502425758583 0.04524860431636 0.19445780762921 15.999 > 73 76 O 0.24835759091916 0.54524860431636 0.19445780762921 15.999 > 73 77 O 0.58169092425249 0.54524860431636 0.19445780762921 15.999 > 73 78 O 0.91502425758583 0.54524860431636 0.19445780762921 15.999 > 73 79 O 0.24835759091916 0.04524860431636 0.69445780762921 15.999 > 73 80 O 0.58169092425249 0.04524860431636 0.69445780762921 15.999 > 73 81 O 0.91502425758583 0.04524860431636 0.69445780762921 15.999 > 73 82 O 0.24835759091916 0.54524860431636 0.69445780762921 15.999 > 73 83 O 0.58169092425249 0.54524860431636 0.69445780762921 15.999 > 73 84 O 0.91502425758583 0.54524860431636 0.69445780762921 15.999 > 73 85 O 0.08497574241417 0.04524860431636 0.05554219237079 15.999 > 85 86 O 0.41830907574751 0.04524860431636 0.05554219237079 15.999 > 85 87 O 0.75164240908084 0.04524860431636 0.05554219237079 15.999 > 85 88 O 0.08497574241417 0.54524860431636 0.05554219237079 15.999 > 85 89 O 0.41830907574751 0.54524860431636 0.05554219237079 15.999 > 85 90 O 0.75164240908084 0.54524860431636 0.05554219237079 15.999 > 85 91 O 0.08497574241417 0.04524860431636 0.55554219237079 15.999 > 85 92 O 0.41830907574751 0.04524860431636 0.55554219237079 15.999 > 85 93 O 0.75164240908084 0.04524860431636 0.55554219237079 15.999 > 85 94 O 0.08497574241417 0.54524860431636 0.55554219237079 15.999 > 85 95 O 0.41830907574751 0.54524860431636 0.55554219237079 15.999 > 85 96 O 0.75164240908084 0.54524860431636 0.55554219237079 15.999 > 85 97 Nd 0.00000000000000 0.11782348943729 0.37500000000000 144.242 > 97 98 Nd 0.33333333333333 0.11782348943729 0.37500000000000 144.242 > 97 99 Nd 0.66666666666667 0.11782348943729 0.37500000000000 144.242 > 97 100 Nd 0.00000000000000 0.61782348943729 0.37500000000000 144.242 > 97 101 Nd 0.33333333333333 0.61782348943729 0.37500000000000 144.242 > 97 102 Nd 0.66666666666667 0.61782348943729 0.37500000000000 144.242 > 97 103 Nd 0.00000000000000 0.11782348943729 0.87500000000000 144.242 > 97 104 Nd 0.33333333333333 0.11782348943729 0.87500000000000 144.242 > 97 105 Nd 0.66666666666667 0.11782348943729 0.87500000000000 144.242 > 97 106 Nd 0.00000000000000 0.61782348943729 0.87500000000000 144.242 > 97 107 Nd 0.33333333333333 0.61782348943729 0.87500000000000 144.242 > 97 108 Nd 0.66666666666667 0.61782348943729 0.87500000000000 144.242 > 97 109 Nd 0.00000000000000 0.38217651056271 0.12500000000000 144.242 > 109 110 Nd 0.33333333333333 0.38217651056271 0.12500000000000 144.242 > 109 111 Nd 0.66666666666667 0.38217651056271 0.12500000000000 144.242 > 109 112 Nd 0.00000000000000 0.88217651056271 0.12500000000000 144.242 > 109 113 Nd 0.33333333333333 0.88217651056271 0.12500000000000 144.242 > 109 114 Nd 0.66666666666667 0.88217651056271 0.12500000000000 144.242 > 109 115 Nd 0.00000000000000 0.38217651056271 0.62500000000000 144.242 > 109 116 Nd 0.33333333333333 0.38217651056271 0.62500000000000 144.242 > 109 117 Nd 0.66666666666667 0.38217651056271 0.62500000000000 144.242 > 109 118 Nd 0.00000000000000 0.88217651056271 0.62500000000000 144.242 > 109 119 Nd 0.33333333333333 0.88217651056271 0.62500000000000 144.242 > 109 120 Nd 0.66666666666667 0.88217651056271 0.62500000000000 144.242 > 109 121 Ta 0.16666666666667 0.15676019706127 0.12500000000000 180.948 > 121 122 Ta 0.50000000000000 0.15676019706127 0.12500000000000 180.948 > 121 123 Ta 0.83333333333333 0.15676019706127 0.12500000000000 180.948 > 121 124 Ta 0.16666666666667 0.65676019706127 0.12500000000000 180.948 > 121 125 Ta 0.50000000000000 0.65676019706127 0.12500000000000 180.948 > 121 126 Ta 0.83333333333333 0.65676019706127 0.12500000000000 180.948 > 121 127 Ta 0.16666666666667 0.15676019706127 0.62500000000000 180.948 > 121 128 Ta 0.50000000000000 0.15676019706127 0.62500000000000 180.948 > 121 129 Ta 0.83333333333333 0.15676019706127 0.62500000000000 180.948 > 121 130 Ta 0.16666666666667 0.65676019706127 0.62500000000000 180.948 > 121 131 Ta 0.50000000000000 0.65676019706127 0.62500000000000 180.948 > 121 132 Ta 0.83333333333333 0.65676019706127 0.62500000000000 180.948 > 121 133 Ta 0.16666666666667 0.34323980293873 0.37500000000000 180.948 > 133 134 Ta 0.50000000000000 0.34323980293873 0.37500000000000 180.948 > 133 135 Ta 0.83333333333333 0.34323980293873 0.37500000000000 180.948 > 133 136 Ta 0.16666666666667 0.84323980293873 0.37500000000000 180.948 > 133 137 Ta 0.50000000000000 0.84323980293873 0.37500000000000 180.948 > 133 138 Ta 0.83333333333333 0.84323980293873 0.37500000000000 180.948 > 133 139 Ta 0.16666666666667 0.34323980293873 0.87500000000000 180.948 > 133 140 Ta 0.50000000000000 0.34323980293873 0.87500000000000 180.948 > 133 141 Ta 0.83333333333333 0.34323980293873 0.87500000000000 180.948 > 133 142 Ta 0.16666666666667 0.84323980293873 0.87500000000000 180.948 > 133 143 Ta 0.50000000000000 0.84323980293873 0.87500000000000 180.948 > 133 144 Ta 0.83333333333333 0.84323980293873 0.87500000000000 180.948 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9519561 0.0000000 0.2475069 0.0000000 4.6032361 0.0000000 0.2475070 0.0000000 4.6370094 -------------------------- Born effective charges -------------------------- 1 O -2.6082811 -0.0690705 0.5577497 0.0153767 -2.0737837 0.5232221 0.5777910 0.5167439 -2.6071276 2 O -2.6082811 0.0690705 0.5577497 -0.0153767 -2.0737837 -0.5232221 0.5777910 -0.5167439 -2.6071276 3 O -2.6082811 -0.0690705 0.5577497 0.0153767 -2.0737837 0.5232221 0.5777910 0.5167439 -2.6071276 4 O -2.6082811 0.0690705 0.5577497 -0.0153767 -2.0737837 -0.5232221 0.5777910 -0.5167439 -2.6071276 5 O -2.6479370 1.2302577 -0.8852042 1.2222892 -2.6385895 0.2507091 -0.9809562 0.2859096 -2.1098233 6 O -2.6479370 -1.2302577 -0.8852042 -1.2222892 -2.6385895 -0.2507091 -0.9809562 -0.2859096 -2.1098233 7 O -2.6479370 1.2302577 -0.8852042 1.2222892 -2.6385895 0.2507091 -0.9809562 0.2859096 -2.1098233 8 O -2.6479370 -1.2302577 -0.8852042 -1.2222892 -2.6385895 -0.2507091 -0.9809562 -0.2859096 -2.1098233 9 Nd 4.7815311 0.0000000 0.2085347 0.0000000 4.0346728 0.0000000 0.2234132 0.0000000 4.2096733 10 Nd 4.7815311 0.0000000 0.2085347 0.0000000 4.0346728 0.0000000 0.2234132 0.0000000 4.2096733 11 Ta 5.7309050 0.0000000 0.4463743 0.0000000 5.3900735 0.0000000 0.5829173 0.0000000 5.2242284 12 Ta 5.7309050 0.0000000 0.4463743 0.0000000 5.3900735 0.0000000 0.5829173 0.0000000 5.2242284 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xyx) -0.00000002 (xyx) -0.00000002 (xxy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.77, Number of G-points: 295, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/230) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 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 3.262 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.303 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.822 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 7.887 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 9.101 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.721 ( 0.000 0.000 0.000) 0.000 11.075 ( 0.000 0.000 0.000) 0.000 11.944 ( 0.000 0.000 0.000) 0.000 11.944 ( 0.000 0.000 0.000) 0.000 12.121 ( 0.000 0.000 0.000) 0.000 14.582 ( 0.000 0.000 0.000) 0.000 14.696 ( 0.000 0.000 0.000) 0.000 15.502 ( 0.000 0.000 0.000) 0.000 15.553 ( 0.000 0.000 0.000) 0.000 17.883 ( 0.000 0.000 0.000) 0.000 18.875 ( 0.000 0.000 0.000) 0.000 19.180 ( 0.000 0.000 0.000) 0.000 19.450 ( 0.000 0.000 0.000) 0.000 19.970 ( 0.000 0.000 0.000) 0.000 23.286 ( 0.000 0.000 0.000) 0.000 23.801 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/230) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 29.800 0.000 -5.006) 30.217 0.565 ( 27.928 0.000 8.186) 29.103 1.135 ( 56.786 0.000 15.671) 58.909 3.304 ( 2.968 0.000 8.981) 9.458 3.623 ( -0.479 0.000 -2.895) 2.934 3.799 ( 2.244 0.000 1.150) 2.522 4.254 ( -14.208 0.000 1.590) 14.297 4.391 ( 0.819 0.000 -2.269) 2.412 4.594 ( 6.251 0.000 -13.767) 15.120 5.043 ( 6.720 0.000 7.484) 10.058 5.410 ( -3.090 0.000 -1.600) 3.479 5.648 ( 3.756 0.000 8.876) 9.638 6.977 ( 2.113 0.000 -39.635) 39.692 7.095 ( -1.583 0.000 -4.348) 4.627 7.771 ( -0.862 0.000 6.069) 6.130 7.877 ( -0.939 0.000 -0.428) 1.032 7.886 ( 0.149 0.000 -7.456) 7.457 8.139 ( -2.863 0.000 -2.782) 3.992 9.369 ( -11.658 0.000 7.887) 14.075 9.893 ( 12.042 0.000 -7.361) 14.113 10.919 ( -21.751 0.000 173.855) 175.210 11.096 ( 2.349 0.000 -1.128) 2.606 11.980 ( -2.284 0.000 -4.359) 4.921 12.028 ( 8.432 0.000 1.621) 8.586 12.181 ( 8.202 0.000 -29.282) 30.409 14.590 ( 0.743 0.000 -0.067) 0.746 14.683 ( -1.358 0.000 -0.008) 1.358 15.438 ( -6.660 0.000 0.161) 6.662 16.497 ( 16.419 0.000 -101.176) 102.500 17.869 ( -2.178 0.000 6.858) 7.196 18.843 ( -3.594 0.000 0.156) 3.598 19.146 ( -3.303 0.000 -0.467) 3.335 19.905 ( -5.595 0.000 -6.035) 8.229 23.334 ( 4.688 0.000 1.434) 4.903 23.772 ( -4.124 0.000 12.874) 13.518 23.888 ( -1.830 0.000 31.461) 31.514 ======================= Grid point 2 (3/230) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 25.789 0.000 7.361) 26.819 1.112 ( 29.060 0.000 -4.271) 29.372 2.229 ( 53.508 0.000 14.692) 55.488 3.393 ( 2.235 0.000 13.907) 14.086 3.562 ( -5.404 0.000 -6.833) 8.712 3.853 ( 2.108 0.000 2.714) 3.436 3.969 ( -14.034 0.000 -1.619) 14.127 4.431 ( 4.383 0.000 -0.552) 4.418 4.687 ( 7.453 0.000 -13.456) 15.383 5.203 ( 7.573 0.000 6.768) 10.156 5.352 ( -2.797 0.000 -0.573) 2.855 5.731 ( 2.010 0.000 8.978) 9.200 6.902 ( -2.277 0.000 -19.610) 19.741 7.038 ( -2.865 0.000 -7.194) 7.744 7.693 ( -8.151 0.000 6.565) 10.466 7.851 ( -1.660 0.000 -0.114) 1.664 7.890 ( 0.262 0.000 -7.851) 7.855 8.050 ( -5.486 0.000 -3.878) 6.718 9.233 ( -2.847 0.000 5.009) 5.762 10.078 ( 8.367 0.000 -5.833) 10.200 10.919 ( -8.934 0.000 73.443) 73.984 11.157 ( 4.235 0.000 -1.837) 4.616 11.940 ( -3.102 0.000 13.947) 14.288 12.268 ( 15.887 0.000 3.712) 16.315 12.273 ( 8.194 0.000 -24.945) 26.256 14.597 ( -0.749 0.000 -0.417) 0.857 14.644 ( -2.671 0.000 -0.058) 2.672 15.261 ( -11.240 0.000 0.496) 11.251 16.593 ( 11.294 0.000 -43.944) 45.372 17.843 ( -2.564 0.000 10.967) 11.262 18.727 ( -8.889 0.000 1.243) 8.975 19.062 ( -5.034 0.000 -0.654) 5.077 19.758 ( -6.744 0.000 -10.706) 12.653 23.458 ( 7.293 0.000 2.187) 7.614 23.714 ( -4.567 0.000 9.220) 10.290 23.933 ( 1.101 0.000 11.470) 11.523 ======================= Grid point 3 (4/230) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 23.218 0.000 6.675) 24.159 1.644 ( 27.477 0.000 -3.356) 27.681 3.196 ( 33.814 0.000 10.598) 35.436 3.361 ( -11.023 0.000 6.650) 12.873 3.404 ( 1.051 0.000 -7.195) 7.271 3.763 ( -3.898 0.000 8.709) 9.541 3.910 ( 1.455 0.000 -0.626) 1.584 4.565 ( 9.301 0.000 0.657) 9.325 4.824 ( 9.872 0.000 -11.094) 14.850 5.289 ( -4.038 0.000 -0.090) 4.039 5.346 ( 5.672 0.000 4.169) 7.040 5.734 ( -4.825 0.000 8.650) 9.905 6.814 ( -1.968 0.000 -15.036) 15.165 6.956 ( -3.838 0.000 -6.605) 7.639 7.528 ( -9.792 0.000 4.959) 10.976 7.814 ( -6.192 0.000 -4.723) 7.788 7.817 ( -1.866 0.000 1.195) 2.216 7.924 ( -6.226 0.000 -4.248) 7.537 9.301 ( 8.462 0.000 0.766) 8.496 10.173 ( 2.706 0.000 -3.872) 4.724 10.930 ( -3.647 0.000 36.288) 36.471 11.240 ( 4.556 0.000 -1.860) 4.921 11.920 ( -2.689 0.000 13.703) 13.964 12.377 ( 7.798 0.000 -16.811) 18.532 12.644 ( 22.003 0.000 5.724) 22.735 14.501 ( -10.945 0.000 -2.208) 11.165 14.585 ( -3.372 0.000 -0.137) 3.375 15.067 ( -7.313 0.000 1.485) 7.462 16.702 ( 7.956 0.000 -22.443) 23.812 17.830 ( -1.407 0.000 11.040) 11.129 18.519 ( -12.439 0.000 1.737) 12.559 18.966 ( -4.465 0.000 -0.516) 4.495 19.624 ( -4.192 0.000 -11.387) 12.134 23.604 ( 7.025 0.000 2.061) 7.321 23.646 ( -4.145 0.000 5.409) 6.814 23.980 ( 1.619 0.000 5.931) 6.148 ======================= Grid point 4 (5/230) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 19.330 0.000 5.999) 20.239 2.139 ( 24.748 0.000 -2.320) 24.856 3.045 ( -15.367 0.000 -7.348) 17.033 3.053 ( -19.475 0.000 1.162) 19.509 3.797 ( 2.347 0.000 11.788) 12.019 3.913 ( -0.743 0.000 -3.664) 3.739 4.090 ( 35.688 0.000 7.839) 36.539 4.769 ( 11.227 0.000 0.413) 11.235 4.991 ( 8.727 0.000 -6.125) 10.662 5.187 ( -6.687 0.000 -1.017) 6.764 5.429 ( 2.145 0.000 1.705) 2.740 5.570 ( -13.507 0.000 5.561) 14.607 6.770 ( 0.544 0.000 -11.072) 11.086 6.870 ( -3.604 0.000 -2.327) 4.290 7.372 ( -6.803 0.000 3.548) 7.673 7.676 ( -5.997 0.000 -2.793) 6.616 7.789 ( -1.766 0.000 5.015) 5.317 7.813 ( -3.540 0.000 -6.370) 7.287 9.497 ( 10.089 0.000 -0.986) 10.137 10.171 ( -1.545 0.000 -1.767) 2.348 10.949 ( -0.989 0.000 15.521) 15.552 11.310 ( 2.867 0.000 -1.165) 3.094 11.901 ( -1.827 0.000 7.274) 7.500 12.478 ( 5.292 0.000 -7.723) 9.362 13.119 ( 25.666 0.000 6.501) 26.477 14.158 ( -22.607 0.000 -4.271) 23.007 14.525 ( -2.535 0.000 -0.145) 2.539 15.003 ( -0.939 0.000 1.422) 1.704 16.779 ( 3.945 0.000 -9.806) 10.570 17.838 ( -0.283 0.000 7.008) 7.014 18.305 ( -9.076 0.000 0.975) 9.129 18.899 ( -2.355 0.000 -0.244) 2.367 19.546 ( -1.723 0.000 -7.177) 7.381 23.590 ( -2.542 0.000 2.394) 3.492 23.719 ( 4.241 0.000 1.224) 4.414 24.018 ( 1.103 0.000 2.777) 2.988 ======================= Grid point 5 (6/230) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -0.000 0.000 -0.000) 0.000 2.494 ( -0.000 0.000 -0.000) 0.000 2.745 ( 0.000 0.000 -0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 3.864 ( -0.000 0.000 -0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 4.510 ( 0.000 0.000 -0.000) 0.000 4.936 ( 0.000 0.000 -0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 -0.000) 0.000 5.379 ( 0.000 0.000 -0.000) 0.000 5.447 ( 0.000 0.000 -0.000) 0.000 6.768 ( 0.000 0.000 0.000) 0.000 6.827 ( 0.000 0.000 -0.000) 0.000 7.308 ( 0.000 0.000 -0.000) 0.000 7.610 ( 0.000 0.000 -0.000) 0.000 7.768 ( 0.000 0.000 -0.000) 0.000 7.780 ( 0.000 0.000 0.000) 0.000 9.607 ( 0.000 0.000 0.000) 0.000 10.144 ( 0.000 0.000 -0.000) 0.000 10.959 ( 0.000 0.000 -0.000) 0.000 11.337 ( 0.000 0.000 0.000) 0.000 11.891 ( 0.000 0.000 -0.000) 0.000 12.523 ( 0.000 0.000 0.000) 0.000 13.564 ( 0.000 0.000 -0.000) 0.000 13.741 ( -0.000 0.000 -0.000) 0.000 14.498 ( 0.000 0.000 0.000) 0.000 15.000 ( 0.000 0.000 -0.000) 0.000 16.805 ( 0.000 0.000 0.000) 0.000 17.845 ( 0.000 0.000 -0.000) 0.000 18.214 ( 0.000 0.000 -0.000) 0.000 18.876 ( 0.000 0.000 -0.000) 0.000 19.521 ( 0.000 0.000 0.000) 0.000 23.567 ( 0.000 0.000 -0.000) 0.000 23.762 ( 0.000 0.000 -0.000) 0.000 24.032 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/230) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.000 27.299 0.000) 27.299 0.623 ( 0.000 30.762 0.000) 30.762 0.987 ( 0.000 48.286 0.000) 48.286 3.212 ( 0.000 -5.045 0.000) 5.045 3.667 ( 0.000 4.093 0.000) 4.093 3.803 ( 0.000 1.914 0.000) 1.914 4.295 ( 0.000 -5.240 0.000) 5.240 4.616 ( 0.000 8.337 0.000) 8.337 4.704 ( 0.000 -1.525 0.000) 1.525 4.854 ( 0.000 -7.485 0.000) 7.485 5.351 ( 0.000 2.742 0.000) 2.742 5.458 ( 0.000 -0.161 0.000) 0.161 5.957 ( 0.000 12.681 0.000) 12.681 7.160 ( 0.000 4.014 0.000) 4.014 7.883 ( 0.000 0.018 0.000) 0.018 7.890 ( 0.000 -0.893 0.000) 0.893 8.216 ( 0.000 4.962 0.000) 4.962 8.254 ( 0.000 -1.956 0.000) 1.956 9.127 ( 0.000 2.847 0.000) 2.847 9.570 ( 0.000 0.954 0.000) 0.954 9.703 ( 0.000 -1.901 0.000) 1.901 11.600 ( 0.000 -18.555 0.000) 18.555 12.151 ( 0.000 3.195 0.000) 3.195 12.229 ( 0.000 12.709 0.000) 12.709 13.575 ( 0.000 -2.798 0.000) 2.798 14.563 ( 0.000 -1.793 0.000) 1.793 14.723 ( 0.000 2.015 0.000) 2.015 15.508 ( 0.000 -9.936 0.000) 9.936 15.533 ( 0.000 -1.901 0.000) 1.901 18.863 ( 0.000 -1.122 0.000) 1.122 19.229 ( 0.000 4.772 0.000) 4.772 19.468 ( 0.000 1.673 0.000) 1.673 19.966 ( 0.000 -0.363 0.000) 0.363 20.476 ( 0.000 -5.662 0.000) 5.662 23.836 ( 0.000 3.389 0.000) 3.389 24.440 ( 0.000 -1.040 0.000) 1.040 ======================= Grid point 12 (8/230) ======================= q-point: ( 0.10 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 12.047 21.727 8.723) 26.330 0.886 ( 24.420 18.527 8.447) 31.795 1.496 ( 41.727 30.684 3.114) 51.888 3.256 ( 3.052 -4.879 8.862) 10.567 3.636 ( -2.226 2.034 -3.556) 4.663 3.845 ( 3.294 3.054 0.623) 4.535 4.258 ( -8.367 -1.799 -0.601) 8.580 4.453 ( -4.833 6.090 -2.477) 8.160 4.641 ( 2.481 4.484 -9.804) 11.063 4.954 ( 6.379 -7.047 6.625) 11.586 5.416 ( -2.641 0.073 -0.888) 2.788 5.714 ( 8.198 2.474 8.552) 12.102 6.407 ( 29.622 -22.396 -9.090) 38.232 7.136 ( -2.201 3.763 -2.324) 4.940 7.825 ( -5.097 -0.648 3.649) 6.303 7.843 ( -6.328 1.189 2.531) 6.918 8.094 ( -2.559 9.019 -14.463) 17.236 8.200 ( -1.470 5.007 -3.310) 6.179 9.366 ( -10.881 -0.404 8.123) 13.585 9.750 ( 28.958 -25.489 41.690) 56.801 9.913 ( 16.599 -1.790 -1.731) 16.785 11.662 ( 5.330 -16.877 6.890) 18.992 12.093 ( -6.179 4.406 -0.827) 7.634 12.267 ( -0.935 15.398 13.908) 20.771 12.719 ( -42.972 40.974 11.339) 60.449 14.547 ( -1.507 -3.445 -2.166) 4.339 14.704 ( 0.235 1.550 1.602) 2.241 15.386 ( -8.269 -6.093 0.569) 10.288 16.063 ( 31.285 -22.968 -48.132) 61.830 18.389 ( -31.085 27.118 -17.950) 44.987 18.836 ( -5.101 0.598 -0.705) 5.184 19.212 ( -3.144 6.238 -0.245) 6.990 19.898 ( -5.602 -0.619 -5.373) 7.787 22.065 ( 61.549 -60.273 34.044) 92.629 23.822 ( -1.577 3.073 0.184) 3.459 24.275 ( -12.347 8.583 6.363) 16.328 ======================= Grid point 13 (9/230) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 23.689 7.363 4.646) 25.238 1.375 ( 24.677 15.447 3.389) 29.309 2.382 ( 46.660 14.294 10.050) 49.825 3.344 ( 2.201 -4.826 13.430) 14.440 3.563 ( -4.721 0.950 -5.469) 7.288 3.904 ( 2.274 3.556 0.106) 4.222 4.001 ( -14.814 2.407 -2.119) 15.157 4.484 ( 5.667 4.606 -1.424) 7.440 4.684 ( 4.789 0.718 -8.816) 10.059 5.104 ( 7.270 -7.843 4.946) 11.782 5.360 ( -2.908 0.436 -0.631) 3.007 5.824 ( 2.051 6.227 9.362) 11.429 6.711 ( 8.536 -14.229 -15.818) 22.925 7.067 ( -4.257 2.977 -3.150) 6.075 7.705 ( -8.635 -0.134 4.757) 9.860 7.738 ( -4.657 -0.392 5.149) 6.954 8.047 ( -1.775 7.366 -11.980) 14.175 8.159 ( -2.041 7.988 -3.779) 9.069 9.228 ( -3.060 -0.751 4.325) 5.351 10.078 ( 9.742 -0.969 -1.935) 9.980 10.376 ( 18.280 -20.803 32.587) 42.765 11.756 ( -10.034 12.536 18.934) 24.826 11.884 ( -1.056 -0.925 1.478) 2.039 12.194 ( -3.025 12.073 7.138) 14.348 12.518 ( 8.463 12.285 -9.933) 17.922 14.490 ( -4.156 -6.853 -2.718) 8.463 14.721 ( 0.377 3.720 2.184) 4.330 15.182 ( -12.163 -7.722 -0.253) 14.410 16.435 ( 19.822 -11.417 -32.380) 39.645 18.038 ( -9.526 14.762 1.631) 17.644 18.698 ( -9.544 -1.851 1.649) 9.861 19.127 ( -5.642 5.876 -0.391) 8.155 19.750 ( -7.013 -0.721 -10.107) 12.323 22.875 ( 24.980 -39.891 17.050) 50.060 23.779 ( -2.703 2.551 0.039) 3.716 24.105 ( -6.838 8.034 5.757) 12.018 ======================= Grid point 14 (10/230) ======================= q-point: ( 0.30 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 25.464 2.836 4.074) 25.944 1.837 ( 23.074 12.980 0.452) 26.478 3.210 ( 24.851 0.901 6.936) 25.817 3.327 ( -8.240 -3.158 7.632) 11.667 3.458 ( 5.075 5.010 -2.950) 7.718 3.778 ( -5.532 1.454 5.274) 7.781 3.930 ( 0.524 2.353 -1.479) 2.828 4.628 ( 9.226 4.983 -1.781) 10.636 4.795 ( 8.555 -1.983 -5.408) 10.313 5.237 ( 5.146 -8.378 3.704) 10.507 5.298 ( -3.580 0.820 -1.441) 3.945 5.824 ( -4.896 5.602 7.852) 10.817 6.762 ( 2.562 -5.416 -17.039) 18.062 6.965 ( -5.622 1.889 -1.158) 6.043 7.543 ( -9.130 1.458 5.090) 10.554 7.671 ( -3.864 -1.811 5.449) 6.921 7.961 ( -3.563 6.772 -11.389) 13.720 8.079 ( -5.720 10.364 -1.530) 11.936 9.299 ( 9.210 -0.489 0.427) 9.233 10.198 ( 3.186 2.202 -2.845) 4.805 10.708 ( 10.136 -11.862 24.275) 28.857 11.523 ( -10.132 17.059 2.017) 19.944 11.990 ( 0.962 4.149 20.444) 20.883 12.235 ( 8.101 -7.579 -14.243) 18.054 12.744 ( 15.828 6.612 1.291) 17.202 14.353 ( -10.622 -10.416 -2.775) 15.133 14.687 ( -5.284 5.752 0.141) 7.812 14.989 ( -5.868 -7.246 1.148) 9.394 16.699 ( 14.408 0.135 -20.716) 25.234 17.928 ( -4.472 8.679 8.514) 12.954 18.496 ( -11.161 -1.886 1.732) 11.451 19.004 ( -6.691 3.589 0.194) 7.595 19.609 ( -4.753 -1.452 -11.054) 12.120 23.256 ( 12.934 -24.655 10.712) 29.831 23.735 ( -1.136 1.393 -1.293) 2.214 24.019 ( -4.071 2.674 4.005) 6.306 ======================= Grid point 15 (11/230) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 23.358 3.745 5.715) 24.337 2.256 ( 20.825 9.758 -2.429) 23.126 3.041 ( -20.131 -0.819 0.664) 20.158 3.081 ( -13.946 2.835 -4.973) 15.075 3.761 ( 2.478 -4.414 9.184) 10.487 3.896 ( 0.107 -0.376 -1.670) 1.716 4.096 ( 29.108 1.293 6.828) 29.926 4.807 ( 9.565 2.133 -5.211) 11.100 4.961 ( 7.981 -1.963 1.940) 8.445 5.206 ( -5.446 1.998 -4.161) 7.139 5.313 ( 2.328 -7.352 3.893) 8.639 5.669 ( -11.972 4.953 3.169) 13.338 6.765 ( 2.146 -2.690 -15.125) 15.512 6.863 ( -4.882 1.951 3.792) 6.482 7.402 ( -6.209 4.021 4.072) 8.445 7.616 ( -2.702 -0.840 2.951) 4.089 7.880 ( -2.016 5.449 -8.524) 10.315 7.967 ( -4.956 12.152 1.079) 13.168 9.520 ( 11.936 1.842 -1.052) 12.123 10.190 ( -2.845 1.730 -1.577) 3.685 10.897 ( 4.969 -3.488 14.575) 15.789 11.392 ( -3.949 7.175 -2.840) 8.669 12.008 ( -1.523 9.762 10.013) 14.067 12.372 ( 7.083 -10.028 -7.519) 14.397 13.117 ( 21.680 -0.512 5.565) 22.388 14.043 ( -20.380 -10.409 -4.023) 23.235 14.573 ( -4.577 4.036 -0.818) 6.157 14.954 ( 0.030 -4.476 1.502) 4.721 16.877 ( 7.906 9.144 -10.981) 16.331 17.884 ( -2.382 4.626 7.405) 9.050 18.316 ( -7.201 0.995 0.993) 7.337 18.894 ( -4.308 -0.382 0.123) 4.327 19.521 ( -2.225 -2.483 -7.035) 7.785 23.434 ( 3.867 -12.414 5.734) 14.210 23.757 ( 4.175 -2.545 -1.940) 5.261 23.950 ( -4.323 -2.786 2.592) 5.759 ======================= Grid point 16 (12/230) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -0.000 10.176 0.000) 10.176 2.562 ( 0.000 5.525 0.000) 5.525 2.711 ( -0.000 -3.428 0.000) 3.428 2.874 ( 0.000 4.124 0.000) 4.124 3.808 ( -0.000 -6.243 -0.000) 6.243 3.871 ( 0.000 1.032 0.000) 1.032 4.452 ( 0.000 -4.394 0.000) 4.394 4.909 ( -0.000 -4.803 -0.000) 4.803 5.070 ( -0.000 0.341 -0.000) 0.341 5.095 ( 0.000 3.877 0.000) 3.877 5.377 ( 0.000 -0.841 -0.000) 0.841 5.483 ( 0.000 2.444 -0.000) 2.444 6.771 ( 0.000 -4.566 0.000) 4.566 6.816 ( 0.000 4.274 -0.000) 4.274 7.344 ( 0.000 5.340 0.000) 5.340 7.592 ( 0.000 0.105 -0.000) 0.105 7.850 ( 0.000 3.932 -0.000) 3.932 7.918 ( 0.000 13.520 -0.000) 13.520 9.657 ( -0.000 4.438 0.000) 4.438 10.140 ( 0.000 -0.341 -0.000) 0.341 10.963 ( 0.000 0.629 0.000) 0.629 11.350 ( 0.000 2.385 0.000) 2.385 12.004 ( 0.000 9.961 0.000) 9.961 12.434 ( 0.000 -8.672 -0.000) 8.672 13.508 ( 0.000 -5.584 -0.000) 5.584 13.663 ( -0.000 -7.328 -0.000) 7.328 14.528 ( 0.000 3.031 -0.000) 3.031 14.959 ( 0.000 -3.807 -0.000) 3.807 16.940 ( 0.000 12.803 0.000) 12.803 17.869 ( 0.000 2.500 -0.000) 2.500 18.246 ( 0.000 3.177 -0.000) 3.177 18.852 ( 0.000 -2.446 -0.000) 2.446 19.491 ( 0.000 -2.994 0.000) 2.994 23.469 ( 0.000 -7.057 -0.000) 7.057 23.847 ( 0.000 5.797 -0.000) 5.797 23.868 ( -0.000 -15.821 0.000) 15.821 ======================= Grid point 22 (13/230) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.000 26.064 0.000) 26.064 1.219 ( 0.000 28.822 0.000) 28.822 1.901 ( 0.000 42.439 0.000) 42.439 3.063 ( 0.000 -9.798 0.000) 9.798 3.768 ( 0.000 -7.729 0.000) 7.729 3.787 ( 0.000 7.848 0.000) 7.848 4.259 ( 0.000 3.177 0.000) 3.177 4.663 ( 0.000 -2.468 0.000) 2.468 4.730 ( 0.000 -3.748 0.000) 3.748 4.787 ( 0.000 7.822 0.000) 7.822 5.374 ( 0.000 -0.603 0.000) 0.603 5.428 ( 0.000 -3.487 0.000) 3.487 6.273 ( 0.000 17.406 0.000) 17.406 7.250 ( 0.000 4.525 0.000) 4.525 7.887 ( 0.000 0.952 0.000) 0.952 7.900 ( 0.000 1.298 0.000) 1.298 8.204 ( 0.000 -2.391 0.000) 2.391 8.329 ( 0.000 5.564 0.000) 5.564 9.229 ( 0.000 7.770 0.000) 7.770 9.593 ( 0.000 1.177 0.000) 1.177 9.645 ( 0.000 -3.768 0.000) 3.768 11.208 ( 0.000 -20.483 0.000) 20.483 12.259 ( 0.000 7.865 0.000) 7.865 12.449 ( 0.000 9.275 0.000) 9.275 13.507 ( 0.000 -3.851 0.000) 3.851 14.515 ( 0.000 -2.834 0.000) 2.834 14.717 ( 0.000 -4.999 0.000) 4.999 15.282 ( 0.000 -9.934 0.000) 9.934 15.483 ( 0.000 -2.939 0.000) 2.939 18.835 ( 0.000 -1.473 0.000) 1.473 19.359 ( 0.000 7.818 0.000) 7.818 19.510 ( 0.000 2.383 0.000) 2.383 19.956 ( 0.000 -0.622 0.000) 0.622 20.324 ( 0.000 -9.078 0.000) 9.078 23.926 ( 0.000 5.269 0.000) 5.269 24.409 ( 0.000 -2.080 0.000) 2.080 ======================= Grid point 23 (14/230) ======================= q-point: ( 0.10 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 1.592 27.455 6.379) 28.231 1.290 ( 17.064 21.920 9.219) 29.269 2.166 ( 24.771 33.514 -2.067) 41.726 3.111 ( 3.491 -9.493 8.457) 13.184 3.721 ( -3.209 6.133 -3.921) 7.956 3.824 ( 3.515 -6.415 -2.866) 7.856 4.252 ( -4.465 2.657 2.969) 5.984 4.552 ( -2.631 3.932 -10.235) 11.275 4.773 ( -1.403 7.713 3.120) 8.438 4.817 ( 5.647 -5.872 2.988) 8.677 5.393 ( -1.216 -2.882 -1.430) 3.439 5.629 ( 15.411 -8.201 5.996) 18.458 6.367 ( 9.057 10.663 -0.801) 14.013 7.221 ( -2.884 4.399 -0.427) 5.278 7.814 ( -6.065 -0.262 6.498) 8.893 7.887 ( -3.429 3.088 -0.120) 4.616 8.181 ( 1.278 0.803 -10.009) 10.122 8.339 ( -0.096 8.749 -0.331) 8.756 9.345 ( -11.634 -2.105 6.525) 13.504 9.519 ( 21.181 -1.343 19.499) 28.821 9.912 ( 16.207 0.233 -6.206) 17.356 11.284 ( 7.545 -20.261 1.860) 21.700 12.211 ( -4.536 8.155 -0.993) 9.385 12.498 ( 4.016 9.326 2.980) 10.582 13.185 ( -28.141 10.378 11.074) 31.973 14.472 ( -4.376 -4.188 -4.012) 7.265 14.699 ( 0.126 -4.103 4.071) 5.781 15.198 ( -7.739 -9.970 -1.987) 12.777 15.775 ( 26.379 -7.593 -19.532) 33.690 18.638 ( -22.382 0.993 -3.167) 22.627 18.952 ( -15.001 9.567 -17.933) 25.262 19.380 ( -4.189 10.191 1.583) 11.132 19.884 ( -5.797 -0.696 -3.953) 7.051 21.217 ( 52.494 -29.656 28.310) 66.607 23.902 ( -2.411 4.735 -0.322) 5.323 24.334 ( -6.976 -0.244 0.662) 7.011 ======================= Grid point 24 (15/230) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 12.857 19.499 5.084) 23.903 1.695 ( 21.372 16.672 7.504) 28.125 2.722 ( 30.799 17.211 2.751) 35.389 3.205 ( 2.590 -8.942 12.715) 15.759 3.642 ( -3.909 7.757 -3.115) 9.228 3.898 ( 4.368 -5.197 -5.799) 8.929 4.063 ( -12.402 3.257 -0.735) 12.844 4.577 ( 4.969 4.867 -8.421) 10.922 4.759 ( 0.021 6.013 5.452) 8.117 4.950 ( 7.037 -6.568 2.497) 9.945 5.360 ( -1.481 -0.543 -2.184) 2.694 5.841 ( 4.678 -6.230 7.019) 10.486 6.549 ( 9.290 0.055 -7.252) 11.785 7.141 ( -5.334 4.044 0.058) 6.694 7.706 ( -6.563 1.009 7.907) 10.326 7.798 ( -5.333 4.457 3.175) 7.641 8.183 ( -0.482 4.562 -10.562) 11.515 8.326 ( -0.477 10.641 -2.925) 11.046 9.191 ( -3.271 -2.995 2.611) 5.147 9.997 ( 19.311 -4.141 16.642) 25.827 10.210 ( 16.234 -0.223 2.332) 16.403 11.494 ( 13.222 -19.379 3.500) 23.720 12.077 ( -9.344 10.191 -2.985) 14.145 12.554 ( -6.257 15.168 16.325) 23.146 12.764 ( -8.161 11.962 -3.237) 14.838 14.336 ( -8.867 -9.127 -4.302) 13.433 14.742 ( 2.539 -3.515 4.795) 6.465 15.007 ( -10.701 -6.376 -2.909) 12.792 16.258 ( 28.022 -5.634 -20.892) 35.403 18.262 ( -12.827 5.278 -3.223) 14.240 18.714 ( -11.794 4.856 -1.588) 12.853 19.274 ( -7.542 8.501 1.343) 11.443 19.731 ( -7.877 -1.137 -8.745) 11.825 22.116 ( 35.255 -34.172 20.633) 53.258 23.836 ( -4.244 3.153 -1.092) 5.399 24.188 ( -7.703 1.201 1.087) 7.872 ======================= Grid point 25 (16/230) ======================= q-point: ( 0.30 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 20.721 10.352 2.874) 23.341 2.110 ( 20.286 14.158 4.120) 25.079 3.200 ( 5.231 -4.347 3.406) 7.606 3.232 ( 2.161 -4.105 7.182) 8.550 3.585 ( -0.145 5.587 1.959) 5.922 3.844 ( -1.198 6.487 1.039) 6.678 3.998 ( 3.020 3.651 -3.909) 6.143 4.654 ( 6.171 -2.189 -9.719) 11.719 4.830 ( 5.196 4.628 8.171) 10.732 5.078 ( 5.400 -6.298 2.922) 8.796 5.326 ( -1.455 2.109 -4.498) 5.177 5.852 ( -4.786 -3.881 5.325) 8.144 6.661 ( 4.899 -2.691 -11.158) 12.480 7.029 ( -6.108 3.533 1.043) 7.133 7.618 ( -4.509 6.258 9.415) 12.171 7.713 ( -4.464 4.353 4.815) 7.878 8.089 ( -6.072 4.676 -10.724) 13.181 8.297 ( -1.844 12.953 -3.082) 13.442 9.271 ( 10.877 -2.436 -0.382) 11.153 10.239 ( 4.942 1.304 -0.131) 5.113 10.563 ( 16.428 -2.433 16.264) 23.245 11.739 ( 3.953 -6.869 -1.984) 8.169 11.889 ( -1.905 2.985 3.487) 4.970 12.372 ( -9.166 14.980 7.942) 19.274 12.852 ( 10.158 3.769 0.348) 10.840 14.105 ( -14.457 -14.593 -3.378) 20.818 14.789 ( -3.109 4.013 2.046) 5.473 14.820 ( -3.334 -7.942 -1.387) 8.724 16.725 ( 25.228 2.591 -18.474) 31.376 18.107 ( -5.091 6.867 4.127) 9.492 18.478 ( -11.806 1.720 1.158) 11.987 19.098 ( -11.040 5.514 2.397) 12.571 19.568 ( -6.405 -2.614 -10.110) 12.250 22.702 ( 23.061 -29.037 14.201) 39.707 23.738 ( -5.607 -0.474 -2.744) 6.260 24.060 ( -5.878 1.329 1.362) 6.178 ======================= Grid point 26 (17/230) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 23.383 4.117 1.834) 23.814 2.480 ( 17.291 12.024 2.250) 21.181 3.002 ( -17.983 -2.977 1.420) 18.283 3.155 ( -10.290 4.022 -2.874) 11.416 3.620 ( 1.176 -8.625 3.741) 9.475 3.929 ( 0.009 3.371 2.172) 4.010 4.172 ( 17.468 6.659 4.788) 19.298 4.754 ( 4.590 -6.669 -11.654) 14.190 4.969 ( 6.584 0.903 10.747) 12.636 5.176 ( 4.752 -5.555 1.159) 7.401 5.282 ( -1.172 5.462 -5.379) 7.755 5.696 ( -11.844 -2.574 2.172) 12.313 6.698 ( 1.788 -1.904 -8.396) 8.793 6.932 ( -3.798 3.218 1.153) 5.110 7.583 ( -1.549 13.588 8.658) 16.186 7.654 ( -2.651 3.963 3.419) 5.867 7.939 ( -5.979 0.471 -8.566) 10.457 8.257 ( -1.309 16.308 -2.162) 16.503 9.544 ( 15.801 0.018 -0.967) 15.831 10.228 ( -4.935 1.529 -1.868) 5.494 10.863 ( 10.732 0.768 12.858) 16.766 11.575 ( -9.187 10.928 -5.925) 15.457 12.084 ( 9.728 -13.584 7.993) 18.522 12.265 ( -3.503 10.586 -0.541) 11.163 13.088 ( 13.838 -2.538 3.778) 14.567 13.780 ( -17.965 -15.290 -3.675) 23.875 14.666 ( -4.667 5.063 -2.177) 7.222 14.849 ( 1.270 -5.490 2.112) 6.018 17.105 ( 17.538 12.761 -13.677) 25.641 18.021 ( -6.475 8.840 7.650) 13.364 18.332 ( -2.607 0.283 0.923) 2.779 18.890 ( -10.180 0.086 1.506) 10.291 19.450 ( -3.654 -4.497 -6.492) 8.702 23.099 ( 16.012 -21.181 9.846) 28.319 23.601 ( -7.913 -8.637 -4.808) 12.662 23.976 ( -3.051 2.860 1.124) 4.330 ======================= Grid point 27 (18/230) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 0.000 -2.956 0.000) 2.956 2.651 ( -0.000 2.447 0.000) 2.447 2.710 ( 0.000 12.309 0.000) 12.309 2.991 ( 0.000 6.832 0.000) 6.832 3.638 ( 0.000 -10.303 -0.000) 10.303 3.917 ( 0.000 3.644 -0.000) 3.644 4.406 ( 0.000 1.158 0.000) 1.158 4.751 ( 0.000 -9.795 -0.000) 9.795 5.070 ( 0.000 -0.647 -0.000) 0.647 5.205 ( 0.000 2.798 0.000) 2.798 5.338 ( 0.000 -0.545 0.000) 0.545 5.503 ( 0.000 -0.736 -0.000) 0.736 6.703 ( 0.000 -1.027 0.000) 1.027 6.897 ( 0.000 3.084 0.000) 3.084 7.584 ( 0.000 18.907 0.000) 18.907 7.631 ( 0.000 3.282 -0.000) 3.282 7.863 ( 0.000 -3.168 -0.000) 3.168 8.242 ( 0.000 17.551 -0.000) 17.551 9.745 ( -0.000 3.099 0.000) 3.099 10.132 ( 0.000 -0.460 -0.000) 0.460 10.995 ( 0.000 2.946 0.000) 2.946 11.465 ( -0.000 9.290 0.000) 9.290 12.198 ( 0.000 -14.217 0.000) 14.217 12.227 ( 0.000 11.159 -0.000) 11.159 13.344 ( 0.000 -10.751 -0.000) 10.751 13.481 ( -0.000 -10.032 0.000) 10.032 14.618 ( 0.000 5.797 -0.000) 5.797 14.864 ( 0.000 -5.428 -0.000) 5.428 17.272 ( 0.000 19.317 0.000) 19.317 17.946 ( 0.000 5.280 -0.000) 5.280 18.331 ( 0.000 4.845 -0.000) 4.845 18.777 ( 0.000 -5.078 -0.000) 5.078 19.405 ( 0.000 -5.361 0.000) 5.361 23.337 ( 0.000 -5.665 -0.000) 5.665 23.445 ( 0.000 -25.065 0.000) 25.065 23.949 ( 0.000 4.129 -0.000) 4.129 ======================= Grid point 33 (19/230) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.000 23.778 0.000) 23.778 1.761 ( 0.000 24.865 0.000) 24.865 2.638 ( 0.000 30.087 0.000) 30.087 2.826 ( 0.000 -13.698 0.000) 13.698 3.511 ( 0.000 -16.046 0.000) 16.046 3.985 ( 0.000 12.172 0.000) 12.172 4.388 ( 0.000 7.495 0.000) 7.495 4.609 ( 0.000 -2.863 0.000) 2.863 4.696 ( 0.000 0.573 0.000) 0.573 4.932 ( 0.000 6.297 0.000) 6.297 5.297 ( 0.000 -9.715 0.000) 9.715 5.327 ( 0.000 -3.979 0.000) 3.979 6.590 ( 0.000 13.011 0.000) 13.011 7.349 ( 0.000 6.004 0.000) 6.004 7.876 ( 0.000 -4.948 0.000) 4.948 7.938 ( 0.000 4.123 0.000) 4.123 8.202 ( 0.000 2.602 0.000) 2.602 8.420 ( 0.000 3.528 0.000) 3.528 9.419 ( 0.000 8.042 0.000) 8.042 9.579 ( 0.000 0.260 0.000) 0.260 9.613 ( 0.000 0.789 0.000) 0.789 10.793 ( 0.000 -20.721 0.000) 20.721 12.471 ( 0.000 13.225 0.000) 13.225 12.598 ( 0.000 5.643 0.000) 5.643 13.421 ( 0.000 -4.974 0.000) 4.974 14.459 ( 0.000 -2.588 0.000) 2.588 14.475 ( 0.000 -16.975 0.000) 16.975 15.190 ( 0.000 -0.241 0.000) 0.241 15.425 ( 0.000 -2.611 0.000) 2.611 18.809 ( 0.000 -1.112 0.000) 1.112 19.529 ( 0.000 8.988 0.000) 8.988 19.556 ( 0.000 1.995 0.000) 1.995 19.943 ( 0.000 -0.632 0.000) 0.632 20.131 ( 0.000 -9.976 0.000) 9.976 24.035 ( 0.000 5.396 0.000) 5.396 24.359 ( 0.000 -2.938 0.000) 2.938 ======================= Grid point 34 (20/230) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 7.112 21.443 5.233) 23.190 1.774 ( 4.402 24.999 4.750) 25.825 2.744 ( 10.267 22.070 -0.507) 24.347 2.885 ( 4.544 -12.641 8.230) 15.753 3.573 ( 6.805 -14.233 -5.138) 16.592 3.942 ( -3.199 13.736 -2.455) 14.316 4.320 ( -8.747 2.777 -0.507) 9.191 4.608 ( 3.153 -0.159 -6.269) 7.019 4.760 ( 5.886 2.137 1.770) 6.507 4.909 ( -3.559 4.919 4.928) 7.820 5.296 ( 2.064 -6.245 -2.669) 7.098 5.461 ( 9.552 -8.562 5.645) 14.015 6.604 ( 1.405 10.701 -0.566) 10.808 7.316 ( -3.699 5.303 1.091) 6.557 7.798 ( -5.674 -2.279 6.931) 9.243 7.948 ( -2.033 2.927 0.331) 3.579 8.198 ( 2.805 1.840 -6.783) 7.567 8.513 ( 5.351 8.083 4.202) 10.566 9.278 ( -12.965 -4.311 4.102) 14.265 9.614 ( 14.743 9.547 7.680) 19.170 9.914 ( 17.606 -0.011 -5.472) 18.437 10.869 ( 7.694 -20.785 1.915) 22.246 12.424 ( -4.076 12.889 -1.395) 13.590 12.651 ( 4.523 6.047 1.279) 7.658 13.271 ( -15.186 -0.141 6.702) 16.599 14.336 ( -9.558 -11.740 -2.869) 15.408 14.533 ( 3.148 -7.926 2.839) 8.988 15.098 ( -5.950 -0.638 -1.734) 6.230 15.684 ( 23.674 -2.620 -10.951) 26.215 18.611 ( -19.721 -2.073 3.814) 20.193 19.108 ( -13.576 5.630 -24.104) 28.231 19.597 ( -5.051 10.958 3.268) 12.501 19.872 ( -6.080 -0.463 -2.908) 6.755 20.753 ( 40.874 -18.255 23.369) 50.498 24.001 ( -3.475 4.883 -0.736) 6.038 24.303 ( -5.212 -2.406 -0.728) 5.787 ======================= Grid point 35 (21/230) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 4.536 20.554 4.025) 21.430 2.043 ( 17.058 17.855 7.362) 25.768 2.960 ( 8.517 -1.104 4.812) 9.845 3.017 ( 7.925 -3.053 7.676) 11.447 3.702 ( 4.654 -9.214 -5.172) 11.546 3.914 ( 3.876 15.044 -1.681) 15.626 4.094 ( -11.736 0.147 -4.129) 12.442 4.670 ( 2.429 2.361 -6.422) 7.260 4.839 ( -3.199 0.918 6.471) 7.276 4.901 ( 7.427 2.998 2.047) 8.267 5.343 ( 3.011 -0.726 -2.958) 4.282 5.641 ( 6.266 -11.757 5.371) 14.364 6.634 ( 2.070 5.864 -2.987) 6.899 7.213 ( -7.112 2.692 1.106) 7.684 7.738 ( -2.487 1.570 9.981) 10.405 7.877 ( -4.937 2.950 3.256) 6.610 8.247 ( 2.058 3.352 -7.056) 8.078 8.579 ( 1.229 13.237 -0.154) 13.295 9.114 ( -3.141 -4.552 1.058) 5.631 9.992 ( 18.540 3.061 10.292) 21.425 10.231 ( 17.032 1.722 -1.320) 17.170 11.089 ( 14.281 -20.377 3.462) 25.122 12.314 ( -7.082 13.601 -3.024) 15.630 12.759 ( 5.864 6.172 3.427) 9.177 12.948 ( -18.368 6.190 7.390) 20.743 14.093 ( -14.891 -15.295 -2.740) 21.521 14.606 ( 3.701 -6.498 2.002) 7.741 14.983 ( -5.578 1.652 -2.027) 6.161 16.195 ( 32.089 -1.276 -16.081) 35.916 18.271 ( -13.097 -2.266 0.784) 13.315 18.860 ( -10.942 7.711 -10.484) 17.003 19.451 ( -10.942 8.728 4.707) 14.767 19.708 ( -9.205 -1.086 -7.381) 11.849 21.540 ( 34.677 -23.211 19.705) 46.146 23.900 ( -6.742 3.157 -1.751) 7.647 24.182 ( -6.564 -1.320 -0.643) 6.726 ======================= Grid point 36 (22/230) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 11.178 12.382 2.537) 16.873 2.389 ( 16.693 12.912 5.840) 21.897 3.035 ( -1.239 -8.973 8.173) 12.200 3.189 ( 6.280 -2.476 -0.848) 6.804 3.635 ( -9.586 0.825 3.459) 10.225 3.944 ( 0.206 -2.335 -2.109) 3.153 4.126 ( 13.418 12.308 -2.931) 18.443 4.634 ( -2.798 0.637 -0.201) 2.876 4.857 ( 2.721 -1.937 -0.832) 3.442 5.030 ( 5.151 1.026 1.409) 5.438 5.386 ( 2.254 3.676 -3.986) 5.872 5.693 ( -2.173 -10.462 4.382) 11.549 6.671 ( 2.985 3.033 -4.947) 6.525 7.072 ( -7.112 0.455 0.772) 7.168 7.740 ( -0.576 4.036 11.180) 11.900 7.791 ( -4.822 2.422 4.969) 7.336 8.200 ( -4.590 8.654 -8.043) 12.675 8.585 ( 0.164 14.797 -2.070) 14.942 9.200 ( 11.677 -4.765 -0.650) 12.628 10.234 ( 5.307 -1.860 -0.870) 5.690 10.597 ( 18.966 5.340 10.381) 22.271 11.405 ( 16.881 -18.682 2.934) 25.350 12.131 ( -11.206 14.753 -3.108) 18.786 12.647 ( -13.404 10.559 8.956) 19.271 12.896 ( 6.698 1.571 1.285) 6.999 13.773 ( -17.225 -18.103 -2.673) 25.130 14.675 ( 3.049 -5.268 0.345) 6.097 14.878 ( -4.962 3.822 -0.750) 6.308 16.794 ( 33.783 3.942 -17.885) 38.428 18.141 ( -1.519 -2.315 3.541) 4.495 18.605 ( -13.838 9.405 -4.039) 17.212 19.208 ( -15.688 4.959 6.178) 17.575 19.511 ( -8.816 -2.792 -8.284) 12.416 22.164 ( 26.797 -23.354 14.668) 38.453 23.728 ( -10.830 -0.368 -3.422) 11.364 24.075 ( -4.217 0.279 0.064) 4.226 ======================= Grid point 37 (23/230) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 14.193 1.859 0.414) 14.320 2.662 ( 7.447 3.040 7.283) 10.851 2.982 ( -2.286 3.509 -1.519) 4.455 3.213 ( -3.335 0.752 -2.754) 4.390 3.477 ( -5.755 -3.661 4.484) 8.163 3.996 ( 2.318 2.010 1.506) 3.418 4.341 ( 8.954 9.001 6.328) 14.186 4.628 ( 1.050 -3.847 -7.265) 8.287 4.917 ( 4.543 -5.654 4.179) 8.371 5.093 ( 1.808 -3.272 -5.569) 6.708 5.412 ( 1.572 6.250 -2.497) 6.911 5.593 ( -8.260 -6.176 3.733) 10.968 6.721 ( 2.952 4.049 -3.968) 6.392 6.968 ( -3.548 0.403 0.487) 3.604 7.719 ( -3.368 1.722 3.367) 5.064 7.751 ( -1.237 -1.656 8.794) 9.034 8.089 ( -3.803 18.583 -6.685) 20.112 8.581 ( -0.072 15.493 -1.630) 15.579 9.498 ( 17.418 -5.192 -0.009) 18.175 10.225 ( -4.839 -2.078 -3.635) 6.399 10.940 ( 13.268 7.012 10.238) 18.166 11.688 ( 10.148 -10.019 -4.391) 14.922 11.914 ( -8.582 8.224 2.815) 12.216 12.475 ( -6.693 8.684 5.666) 12.341 13.020 ( 5.695 -3.941 0.932) 6.988 13.458 ( -14.004 -16.185 -2.237) 21.519 14.721 ( 2.018 -2.809 -2.391) 4.205 14.796 ( -3.643 3.287 1.959) 5.283 17.358 ( 28.074 11.977 -16.304) 34.604 18.187 ( 1.103 4.108 6.576) 7.832 18.349 ( -8.453 4.439 -0.446) 9.558 18.894 ( -17.801 -0.177 4.750) 18.425 19.354 ( -5.428 -4.532 -5.182) 8.767 22.649 ( 20.952 -21.595 10.280) 31.796 23.474 ( -14.220 -4.199 -5.062) 15.668 24.023 ( -1.505 1.617 0.324) 2.233 ======================= Grid point 38 (24/230) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 0.000 -8.249 0.000) 8.249 2.662 ( -0.000 -0.793 0.000) 0.793 3.047 ( -0.000 17.415 0.000) 17.415 3.103 ( 0.000 3.406 0.000) 3.406 3.436 ( 0.000 -8.412 -0.000) 8.412 4.011 ( 0.000 5.290 -0.000) 5.290 4.506 ( 0.000 8.075 0.000) 8.075 4.561 ( -0.000 -7.939 -0.000) 7.939 5.032 ( 0.000 -3.365 0.000) 3.365 5.069 ( -0.000 -12.372 -0.000) 12.372 5.451 ( -0.000 7.522 0.000) 7.522 5.466 ( 0.000 -2.359 -0.000) 2.359 6.747 ( 0.000 5.147 0.000) 5.147 6.938 ( -0.000 1.219 -0.000) 1.219 7.687 ( 0.000 -1.026 -0.000) 1.026 7.747 ( 0.000 -4.799 -0.000) 4.799 8.045 ( 0.000 24.861 0.000) 24.861 8.578 ( 0.000 15.643 -0.000) 15.643 9.725 ( -0.000 -6.299 0.000) 6.299 10.123 ( 0.000 -0.417 -0.000) 0.417 11.097 ( 0.000 7.563 0.000) 7.563 11.705 ( -0.000 13.941 0.000) 13.941 11.901 ( 0.000 -14.831 -0.000) 14.831 12.416 ( 0.000 7.303 0.000) 7.303 13.093 ( 0.000 -13.668 -0.000) 13.668 13.294 ( 0.000 -8.001 0.000) 8.001 14.743 ( 0.000 6.043 -0.000) 6.043 14.756 ( -0.000 -4.989 0.000) 4.989 17.674 ( 0.000 20.138 0.000) 20.138 18.081 ( 0.000 8.128 -0.000) 8.128 18.409 ( 0.000 1.782 -0.000) 1.782 18.649 ( 0.000 -7.773 -0.000) 7.773 19.294 ( 0.000 -5.162 0.000) 5.162 22.941 ( 0.000 -23.406 0.000) 23.406 23.250 ( 0.000 -3.022 0.000) 3.022 24.010 ( 0.000 2.039 0.000) 2.039 ======================= Grid point 44 (25/230) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 0.000 18.318 0.000) 18.318 2.156 ( 0.000 11.240 0.000) 11.240 2.543 ( 0.000 -12.555 0.000) 12.555 3.050 ( 0.000 10.434 0.000) 10.434 3.210 ( 0.000 -11.126 0.000) 11.126 4.256 ( 0.000 12.781 0.000) 12.781 4.492 ( 0.000 2.397 0.000) 2.397 4.542 ( 0.000 -4.187 0.000) 4.187 4.740 ( 0.000 2.520 0.000) 2.520 5.036 ( 0.000 3.890 0.000) 3.890 5.084 ( 0.000 -8.804 0.000) 8.804 5.232 ( 0.000 -4.424 0.000) 4.424 6.763 ( 0.000 4.273 0.000) 4.273 7.497 ( 0.000 8.213 0.000) 8.213 7.725 ( 0.000 -8.685 0.000) 8.685 8.021 ( 0.000 2.959 0.000) 2.959 8.263 ( 0.000 2.160 0.000) 2.160 8.472 ( 0.000 1.504 0.000) 1.504 9.415 ( 0.000 -2.633 0.000) 2.633 9.623 ( 0.000 0.254 0.000) 0.254 9.772 ( 0.000 11.689 0.000) 11.689 10.419 ( 0.000 -14.335 0.000) 14.335 12.674 ( 0.000 1.895 0.000) 1.895 12.744 ( 0.000 11.359 0.000) 11.359 13.300 ( 0.000 -6.327 0.000) 6.327 14.182 ( 0.000 -9.168 0.000) 9.168 14.421 ( 0.000 -1.050 0.000) 1.050 15.205 ( 0.000 0.775 0.000) 0.775 15.387 ( 0.000 -1.038 0.000) 1.038 18.793 ( 0.000 -0.401 0.000) 0.401 19.584 ( 0.000 0.778 0.000) 0.778 19.706 ( 0.000 8.061 0.000) 8.061 19.933 ( 0.000 -0.279 0.000) 0.279 19.940 ( 0.000 -8.418 0.000) 8.418 24.128 ( 0.000 3.270 0.000) 3.270 24.300 ( 0.000 -2.378 0.000) 2.378 ======================= Grid point 45 (26/230) ======================= q-point: ( 0.10 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 4.076 15.257 4.677) 16.470 2.190 ( 4.528 13.588 -0.280) 14.325 2.613 ( 5.847 -11.855 7.321) 15.111 2.988 ( -3.511 1.288 11.274) 11.878 3.354 ( 12.345 -4.612 -12.871) 18.421 4.245 ( -0.695 13.437 1.115) 13.501 4.350 ( -13.551 0.414 -4.377) 14.246 4.575 ( 5.866 -1.348 -5.362) 8.061 4.772 ( 0.538 -4.484 2.535) 5.179 5.001 ( 0.321 5.522 0.129) 5.533 5.201 ( 7.732 -2.116 1.401) 8.138 5.294 ( 5.099 -7.157 5.309) 10.267 6.752 ( -1.026 3.787 -0.871) 4.019 7.425 ( -7.621 4.659 0.811) 8.969 7.714 ( -0.292 -4.577 4.804) 6.641 8.007 ( -3.496 2.224 3.387) 5.352 8.240 ( 2.565 1.516 -4.958) 5.784 8.642 ( 10.861 4.074 8.765) 14.539 9.194 ( -13.694 -3.118 1.588) 14.134 9.823 ( 13.073 7.206 -2.811) 15.190 9.933 ( 15.858 3.495 -2.123) 16.377 10.495 ( 7.512 -14.272 4.483) 16.740 12.665 ( -1.583 7.457 -1.080) 7.699 12.753 ( 1.508 5.234 -0.253) 5.453 13.216 ( -8.729 -4.174 4.860) 10.828 14.080 ( -10.411 -9.087 -0.073) 13.819 14.454 ( 3.119 -1.426 0.432) 3.457 15.107 ( -5.401 0.580 -1.220) 5.568 15.652 ( 23.517 -0.731 -8.727) 25.095 18.579 ( -20.583 -0.904 5.855) 21.418 19.180 ( -11.217 1.782 -25.492) 27.907 19.783 ( -7.075 6.168 5.759) 11.012 19.867 ( -5.894 0.058 -5.419) 8.007 20.478 ( 37.275 -8.375 22.399) 44.287 24.084 ( -4.442 2.921 -0.971) 5.404 24.253 ( -4.381 -2.100 -1.158) 4.994 ======================= Grid point 46 (27/230) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 0.420 12.695 5.344) 13.780 2.354 ( 10.924 10.264 0.549) 14.999 2.768 ( 7.378 -7.904 10.928) 15.373 3.017 ( 3.408 -3.365 9.190) 10.363 3.557 ( 11.363 -3.493 -11.855) 16.789 4.046 ( -15.791 -1.035 -4.016) 16.326 4.263 ( 2.520 13.037 3.904) 13.840 4.675 ( 3.529 0.234 -4.434) 5.672 4.757 ( -0.518 -7.584 1.933) 7.843 5.050 ( 3.934 8.422 -4.269) 10.229 5.343 ( 6.438 0.540 1.161) 6.564 5.417 ( 5.313 -9.326 6.974) 12.800 6.729 ( -0.581 2.928 -1.478) 3.331 7.242 ( -10.607 0.430 0.297) 10.619 7.745 ( 1.027 -0.488 8.054) 8.134 7.922 ( -5.577 1.498 5.719) 8.128 8.318 ( 5.118 2.639 -4.137) 7.091 8.811 ( 4.071 9.060 4.772) 11.019 9.012 ( -3.599 -5.374 -0.180) 6.471 10.063 ( 10.600 2.356 -3.795) 11.503 10.300 ( 22.634 5.300 1.879) 23.322 10.726 ( 14.703 -13.711 7.921) 21.608 12.591 ( -5.806 12.734 -2.590) 14.233 12.784 ( 0.057 -4.107 -1.349) 4.324 13.044 ( -8.496 3.556 9.044) 12.908 13.801 ( -17.981 -10.450 -0.693) 20.809 14.529 ( 4.259 -1.625 0.585) 4.596 15.016 ( -4.127 1.048 -1.616) 4.554 16.185 ( 34.417 -0.083 -14.752) 37.446 18.227 ( -14.202 -1.395 3.179) 14.620 18.973 ( -7.917 3.053 -15.598) 17.757 19.591 ( -14.389 4.305 7.425) 16.754 19.692 ( -10.344 -0.469 -6.484) 12.217 21.211 ( 33.262 -8.941 18.389) 39.045 23.952 ( -9.133 1.606 -2.216) 9.534 24.154 ( -4.982 -1.090 -1.135) 5.225 ======================= Grid point 47 (28/230) ======================= q-point: ( 0.30 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 1.875 8.306 5.268) 10.013 2.544 ( 7.617 1.012 1.108) 7.764 2.940 ( 8.310 1.323 7.712) 11.414 3.111 ( 3.735 -4.966 2.546) 6.715 3.681 ( -4.283 4.671 0.418) 6.351 3.818 ( 1.347 -8.072 -4.453) 9.316 4.363 ( 6.081 8.340 5.607) 11.746 4.654 ( -3.185 0.912 6.873) 7.630 4.798 ( 3.015 -3.346 -9.586) 10.591 5.084 ( 0.648 3.536 -9.860) 10.494 5.440 ( 2.851 0.162 2.073) 3.529 5.505 ( 2.220 -5.602 5.749) 8.328 6.744 ( 2.987 2.996 -1.554) 4.507 7.056 ( -8.168 -1.270 -0.017) 8.267 7.743 ( -4.103 -1.454 7.013) 8.254 7.837 ( -4.548 1.616 5.766) 7.520 8.388 ( 3.070 6.823 -2.971) 8.050 8.858 ( 1.742 12.113 0.854) 12.268 9.073 ( 9.165 -8.072 -0.195) 12.214 10.181 ( 3.248 -2.368 -6.015) 7.234 10.758 ( 22.412 10.054 6.717) 25.465 11.062 ( 17.625 -14.593 7.578) 24.104 12.418 ( -11.836 12.168 -2.580) 17.170 12.698 ( -7.101 -4.481 1.696) 8.566 13.009 ( 0.915 8.891 6.197) 10.876 13.427 ( -19.327 -14.303 -1.839) 24.114 14.607 ( 3.567 -1.625 0.470) 3.947 14.935 ( -3.955 1.599 -1.195) 4.430 16.859 ( 39.184 2.019 -18.392) 43.333 18.086 ( -1.874 -1.983 4.807) 5.527 18.767 ( -10.529 5.122 -11.029) 16.085 19.274 ( -20.681 1.404 9.174) 22.667 19.471 ( -10.565 -0.893 -4.591) 11.554 21.827 ( 27.343 -9.224 14.021) 32.083 23.724 ( -13.809 -0.083 -3.812) 14.326 24.076 ( -2.783 -0.029 -0.378) 2.809 ======================= Grid point 48 (29/230) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 2.883 0.984 3.466) 4.614 2.632 ( 1.478 -2.506 2.407) 3.776 3.089 ( 3.971 3.614 0.195) 5.372 3.186 ( 6.541 -1.535 -3.265) 7.470 3.498 ( -10.026 3.338 5.120) 11.742 3.978 ( 8.999 -2.654 2.091) 9.612 4.475 ( 2.681 3.945 8.443) 9.697 4.651 ( 2.091 4.155 3.534) 5.842 4.795 ( -0.566 -5.130 -6.838) 8.567 5.024 ( -3.497 -3.103 -13.924) 14.688 5.450 ( -2.029 -2.045 4.742) 5.548 5.547 ( 1.447 1.561 1.583) 2.653 6.830 ( 5.010 5.543 -1.248) 7.575 6.948 ( -2.621 -2.364 0.091) 3.531 7.630 ( -7.645 -4.308 3.282) 9.369 7.781 ( -2.390 1.387 3.568) 4.512 8.428 ( 1.688 10.395 -1.351) 10.618 8.879 ( 0.316 14.019 0.365) 14.028 9.325 ( 14.715 -11.058 0.744) 18.422 10.170 ( -2.445 -2.237 -5.882) 6.751 11.134 ( 14.101 11.871 7.555) 19.921 11.409 ( 16.542 -14.228 3.050) 22.031 12.153 ( -14.243 9.735 -1.355) 17.305 12.578 ( -6.115 1.306 4.588) 7.756 12.960 ( -8.506 -1.096 -3.771) 9.369 13.184 ( -2.969 -9.222 2.124) 9.918 14.662 ( 1.957 -1.817 0.187) 2.677 14.865 ( -2.894 2.156 -0.622) 3.662 17.552 ( 36.722 6.185 -19.117) 41.860 18.157 ( 7.238 -3.054 6.878) 10.441 18.520 ( -13.015 8.077 -7.104) 16.885 18.857 ( -25.095 -3.217 11.691) 27.871 19.293 ( -6.537 -1.347 -3.089) 7.355 22.324 ( 21.303 -9.171 9.696) 25.138 23.423 ( -15.632 -1.165 -4.884) 16.419 24.042 ( -0.907 0.440 0.045) 1.009 ======================= Grid point 49 (30/230) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 0.000 -3.550 0.000) 3.550 2.642 ( -0.000 -0.746 0.000) 0.746 3.110 ( 0.000 -1.396 0.000) 1.396 3.323 ( -0.000 8.377 0.000) 8.377 3.348 ( 0.000 -0.984 -0.000) 0.984 4.079 ( 0.000 0.629 0.000) 0.629 4.511 ( 0.000 3.827 0.000) 3.827 4.678 ( -0.000 7.304 -0.000) 7.304 4.801 ( 0.000 -12.359 0.000) 12.359 4.941 ( -0.000 -4.907 -0.000) 4.907 5.429 ( 0.000 -1.081 -0.000) 1.081 5.563 ( 0.000 3.092 0.000) 3.092 6.866 ( 0.000 4.887 0.000) 4.887 6.953 ( -0.000 0.339 -0.000) 0.339 7.542 ( 0.000 -6.415 -0.000) 6.415 7.763 ( 0.000 1.258 -0.000) 1.258 8.443 ( 0.000 11.302 0.000) 11.302 8.881 ( 0.000 14.277 -0.000) 14.277 9.503 ( 0.000 -13.105 0.000) 13.105 10.116 ( 0.000 -0.176 -0.000) 0.176 11.290 ( 0.000 10.423 0.000) 10.423 11.624 ( 0.000 -12.090 -0.000) 12.090 11.961 ( 0.000 9.133 -0.000) 9.133 12.511 ( 0.000 2.233 0.000) 2.233 12.848 ( 0.000 -8.647 -0.000) 8.647 13.182 ( 0.000 -2.922 0.000) 2.922 14.681 ( 0.000 -2.116 0.000) 2.116 14.834 ( 0.000 2.570 0.000) 2.570 18.037 ( -0.000 14.541 0.000) 14.541 18.263 ( -0.000 9.647 -0.000) 9.647 18.364 ( -0.000 -5.990 0.000) 5.990 18.473 ( 0.000 -9.445 -0.000) 9.445 19.224 ( 0.000 -1.581 0.000) 1.581 22.592 ( 0.000 -9.799 0.000) 9.799 23.213 ( 0.000 -0.855 -0.000) 0.855 24.035 ( 0.000 0.555 0.000) 0.555 ======================= Grid point 99 (31/230) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -8.795 0.000 28.231) 29.569 0.641 ( 9.845 0.000 30.400) 31.954 1.233 ( 5.472 0.000 58.477) 58.732 3.385 ( 8.575 0.000 11.057) 13.992 3.577 ( -2.439 0.000 -4.582) 5.191 3.721 ( 2.084 0.000 -5.628) 6.001 4.230 ( 0.147 0.000 -10.758) 10.759 4.480 ( -11.197 0.000 -7.052) 13.233 4.664 ( -12.647 0.000 8.136) 15.038 5.098 ( 5.867 0.000 11.135) 12.586 5.417 ( 15.995 0.000 0.675) 16.010 5.462 ( 14.705 0.000 1.632) 14.795 5.917 ( -8.424 0.000 7.757) 11.452 7.165 ( -2.130 0.000 3.823) 4.376 7.603 ( 3.279 0.000 -11.032) 11.509 7.874 ( 1.096 0.000 1.523) 1.876 7.976 ( -3.956 0.000 3.132) 5.045 8.317 ( -2.485 0.000 12.713) 12.954 9.395 ( 12.436 0.000 -9.940) 15.920 9.845 ( -11.246 0.000 7.750) 13.658 10.170 ( 74.383 0.000 0.337) 74.383 10.991 ( -0.504 0.000 -7.790) 7.806 11.903 ( 2.235 0.000 -3.955) 4.543 12.031 ( 1.723 0.000 -8.079) 8.260 13.525 ( 41.969 0.000 3.903) 42.151 14.563 ( 0.042 0.000 -1.835) 1.836 14.706 ( -0.151 0.000 0.952) 0.964 15.381 ( 1.779 0.000 -10.992) 11.135 17.805 (-210.264 0.000 -0.081) 210.264 17.905 ( 7.662 0.000 1.827) 7.877 18.899 ( -0.310 0.000 2.161) 2.183 19.176 ( -0.170 0.000 -0.363) 0.401 20.041 ( -7.709 0.000 6.727) 10.231 21.659 ( 153.441 0.000 -3.801) 153.488 23.302 ( 1.460 0.000 1.526) 2.112 23.783 ( 0.507 0.000 -1.697) 1.771 ======================= Grid point 100 (32/230) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 16.687 0.000 19.665) 25.791 1.029 ( 19.005 0.000 26.209) 32.374 1.807 ( 36.611 0.000 44.186) 57.383 3.523 ( -2.464 0.000 -6.042) 6.525 3.597 ( 8.819 0.000 18.553) 20.543 3.756 ( 2.967 0.000 -5.753) 6.473 4.143 ( -6.830 0.000 -10.929) 12.888 4.356 ( -0.913 0.000 -3.130) 3.261 4.490 ( -5.675 0.000 3.739) 6.796 5.244 ( 6.144 0.000 10.757) 12.388 5.382 ( -2.771 0.000 -0.812) 2.887 5.843 ( 5.137 0.000 9.173) 10.514 6.195 ( 22.364 0.000 -23.781) 32.645 7.110 ( -4.433 0.000 2.775) 5.230 7.653 ( 4.344 0.000 -10.884) 11.719 7.862 ( -2.119 0.000 -0.452) 2.167 7.896 ( -5.057 0.000 1.837) 5.380 8.289 ( -3.864 0.000 15.606) 16.077 9.468 ( -6.768 0.000 -0.088) 6.769 9.785 ( 7.531 0.000 -1.486) 7.677 10.983 ( 1.933 0.000 -9.536) 9.730 11.203 ( 35.075 0.000 -26.316) 43.850 11.955 ( -6.881 0.000 -7.922) 10.493 12.023 ( 10.948 0.000 -2.036) 11.136 13.598 ( -49.795 0.000 44.958) 67.088 14.565 ( 0.469 0.000 -2.669) 2.710 14.654 ( -2.031 0.000 -1.650) 2.617 15.334 ( -3.962 0.000 -9.123) 9.946 15.686 ( -9.558 0.000 16.681) 19.225 18.039 ( 4.571 0.000 9.322) 10.383 18.861 ( -3.914 0.000 1.556) 4.212 19.140 ( -3.515 0.000 -0.380) 3.536 19.847 ( -12.809 0.000 0.196) 12.811 23.376 ( 5.493 0.000 2.545) 6.054 23.437 ( 43.440 0.000 -40.863) 59.640 23.789 ( 0.618 0.000 -2.263) 2.345 ======================= Grid point 101 (33/230) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 24.558 0.000 12.009) 27.337 1.457 ( 19.662 0.000 22.555) 29.922 2.676 ( 42.910 0.000 27.758) 51.106 3.423 ( -7.123 0.000 -5.981) 9.301 3.696 ( -4.493 0.000 7.586) 8.817 3.837 ( 4.524 0.000 3.281) 5.589 3.962 ( -7.326 0.000 -1.050) 7.401 4.393 ( 5.497 0.000 -3.563) 6.550 4.491 ( 5.988 0.000 -3.487) 6.929 5.332 ( -2.429 0.000 -1.368) 2.788 5.372 ( 4.632 0.000 8.707) 9.862 5.931 ( 1.530 0.000 9.486) 9.609 6.390 ( 6.134 0.000 -22.747) 23.560 7.022 ( -4.813 0.000 2.485) 5.417 7.668 ( -2.083 0.000 -8.913) 9.154 7.805 ( -3.264 0.000 -1.781) 3.718 7.811 ( -3.334 0.000 0.393) 3.357 8.247 ( -4.777 0.000 19.373) 19.953 9.313 ( -6.057 0.000 2.311) 6.483 9.972 ( 9.960 0.000 -4.202) 10.811 11.020 ( 4.402 0.000 -11.035) 11.880 11.519 ( 0.602 0.000 -4.469) 4.509 11.825 ( 1.858 0.000 -17.075) 17.176 12.303 ( 18.410 0.000 -0.380) 18.414 12.855 ( -31.994 0.000 55.563) 64.116 14.541 ( -3.176 0.000 -5.845) 6.653 14.630 ( -1.425 0.000 -1.913) 2.385 15.206 ( -6.774 0.000 -4.384) 8.069 15.967 ( 22.479 0.000 -14.522) 26.762 18.108 ( -0.617 0.000 14.827) 14.839 18.758 ( -7.521 0.000 1.563) 7.682 19.053 ( -5.085 0.000 -0.388) 5.099 19.595 ( -11.428 0.000 -5.449) 12.660 23.508 ( 7.196 0.000 2.610) 7.655 23.714 ( 0.595 0.000 -8.342) 8.363 23.840 ( 6.894 0.000 -14.369) 15.938 ======================= Grid point 102 (34/230) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 25.574 0.000 9.134) 27.156 1.882 ( 19.404 0.000 19.401) 27.439 3.218 ( -12.558 0.000 -4.641) 13.388 3.487 ( -16.582 0.000 5.480) 17.464 3.516 ( 38.296 0.000 14.728) 41.030 3.829 ( -2.501 0.000 -6.722) 7.173 3.937 ( 0.037 0.000 5.112) 5.112 4.542 ( 10.648 0.000 -2.987) 11.059 4.695 ( 14.430 0.000 1.074) 14.470 5.270 ( -3.932 0.000 -1.912) 4.372 5.455 ( 2.154 0.000 5.698) 6.091 5.901 ( -8.163 0.000 6.131) 10.209 6.409 ( 3.215 0.000 -18.477) 18.754 6.961 ( -1.967 0.000 4.570) 4.976 7.543 ( -8.028 0.000 -3.698) 8.838 7.740 ( -4.664 0.000 -1.926) 5.047 7.740 ( -2.881 0.000 -1.332) 3.174 8.202 ( -5.041 0.000 22.660) 23.214 9.306 ( 5.119 0.000 -0.461) 5.140 10.110 ( 5.064 0.000 -2.292) 5.559 11.091 ( 5.595 0.000 -12.017) 13.256 11.339 ( -13.344 0.000 4.082) 13.954 11.890 ( 3.697 0.000 -15.837) 16.263 12.605 ( -7.559 0.000 34.566) 35.383 12.709 ( 23.637 0.000 0.318) 23.640 14.363 ( -14.118 0.000 -11.289) 18.077 14.587 ( -2.605 0.000 0.055) 2.606 15.098 ( -3.609 0.000 1.986) 4.120 16.329 ( 18.313 0.000 -12.567) 22.211 18.080 ( -5.668 0.000 12.929) 14.116 18.573 ( -12.147 0.000 3.636) 12.680 18.958 ( -4.396 0.000 -0.417) 4.416 19.444 ( -2.053 0.000 -6.191) 6.522 23.646 ( 6.201 0.000 1.883) 6.481 23.652 ( -4.032 0.000 -4.008) 5.685 23.905 ( 3.401 0.000 -12.069) 12.539 ======================= Grid point 103 (35/230) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 24.155 0.000 8.387) 25.570 2.273 ( 15.348 0.000 17.441) 23.232 2.953 ( -12.473 0.000 -1.812) 12.604 3.148 ( -19.991 0.000 8.025) 21.542 3.735 ( -4.675 0.000 -12.904) 13.725 3.942 ( -0.213 0.000 1.451) 1.466 4.138 ( 22.521 0.000 -1.870) 22.599 4.786 ( 15.511 0.000 0.245) 15.513 4.984 ( 13.440 0.000 5.941) 14.695 5.167 ( -6.205 0.000 -0.980) 6.282 5.479 ( -0.657 0.000 2.695) 2.774 5.641 ( -18.544 0.000 1.055) 18.574 6.471 ( 7.036 0.000 -12.416) 14.271 6.973 ( 1.345 0.000 8.769) 8.872 7.372 ( -8.391 0.000 -3.498) 9.091 7.653 ( -3.125 0.000 0.610) 3.184 7.698 ( -1.334 0.000 0.738) 1.525 8.168 ( -4.336 0.000 24.587) 24.966 9.461 ( 9.614 0.000 -2.545) 9.945 10.160 ( 0.858 0.000 0.443) 0.966 11.095 ( -12.437 0.000 -1.707) 12.554 11.165 ( 4.858 0.000 -12.237) 13.166 11.857 ( -2.908 0.000 -8.562) 9.043 12.644 ( 2.408 0.000 20.182) 20.325 13.189 ( 26.037 0.000 -0.199) 26.037 13.966 ( -23.132 0.000 -13.536) 26.801 14.541 ( -2.088 0.000 1.576) 2.616 15.062 ( -1.705 0.000 3.896) 4.253 16.606 ( 13.254 0.000 -6.405) 14.721 17.965 ( -8.141 0.000 4.904) 9.504 18.356 ( -10.118 0.000 3.978) 10.872 18.892 ( -2.241 0.000 -0.533) 2.303 19.476 ( 5.135 0.000 0.629) 5.173 23.564 ( -3.738 0.000 -5.072) 6.301 23.739 ( 3.000 0.000 0.699) 3.080 23.920 ( 1.149 0.000 -11.112) 11.172 ======================= Grid point 104 (36/230) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -12.115 0.000 9.333) 15.293 2.625 ( 7.392 0.000 11.675) 13.819 2.806 ( -8.321 0.000 5.895) 10.198 2.927 ( 11.950 0.000 8.198) 14.492 3.608 ( -4.525 0.000 -15.679) 16.319 3.934 ( -0.680 0.000 -1.357) 1.518 4.269 ( -7.378 0.000 -17.109) 18.632 5.007 ( -6.091 0.000 -3.641) 7.096 5.131 ( 9.296 0.000 10.822) 14.267 5.177 ( 3.560 0.000 8.153) 8.897 5.319 ( -7.354 0.000 -4.205) 8.471 5.459 ( -1.222 0.000 1.262) 1.757 6.606 ( 9.153 0.000 -7.284) 11.698 7.045 ( 3.299 0.000 12.897) 13.312 7.242 ( -3.043 0.000 -5.613) 6.385 7.648 ( 2.248 0.000 3.041) 3.781 7.697 ( 0.862 0.000 3.058) 3.177 8.158 ( -2.746 0.000 25.061) 25.211 9.583 ( 1.884 0.000 -2.582) 3.196 10.176 ( 1.354 0.000 2.847) 3.152 10.843 ( -12.838 0.000 -10.626) 16.665 11.211 ( 2.773 0.000 -11.503) 11.833 11.776 ( -3.061 0.000 -7.373) 7.983 12.731 ( 1.487 0.000 15.900) 15.969 13.449 ( -25.761 0.000 -11.542) 28.229 13.691 ( 25.318 0.000 -3.947) 25.624 14.525 ( 0.055 0.000 2.575) 2.575 15.035 ( -2.112 0.000 2.902) 3.589 16.815 ( 9.643 0.000 1.174) 9.714 17.813 ( -7.528 0.000 -3.078) 8.133 18.247 ( -1.583 0.000 2.900) 3.304 18.872 ( 0.312 0.000 -0.510) 0.598 19.610 ( 7.121 0.000 8.749) 11.280 23.489 ( -2.497 0.000 -8.771) 9.119 23.756 ( -1.292 0.000 -0.580) 1.417 23.899 ( -0.543 0.000 -11.017) 11.031 ======================= Grid point 105 (37/230) ======================= q-point: (-0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -21.066 0.000 7.308) 22.297 2.306 ( -24.872 0.000 13.236) 28.175 3.069 ( 14.308 0.000 1.106) 14.351 3.243 ( 14.288 0.000 10.997) 18.030 3.523 ( 0.922 0.000 -12.283) 12.318 3.834 ( -30.404 0.000 -14.923) 33.869 3.911 ( -1.081 0.000 -2.898) 3.093 4.750 ( -14.775 0.000 -2.800) 15.038 5.161 ( -5.644 0.000 8.157) 9.920 5.215 ( 3.396 0.000 1.616) 3.761 5.429 ( -3.494 0.000 2.388) 4.232 5.461 ( 10.800 0.000 -3.042) 11.220 6.766 ( 8.354 0.000 -2.833) 8.821 7.149 ( 3.815 0.000 15.183) 15.655 7.247 ( 5.006 0.000 -7.972) 9.413 7.743 ( 2.888 0.000 4.244) 5.134 7.746 ( 6.834 0.000 3.516) 7.685 8.184 ( -0.639 0.000 24.078) 24.086 9.497 ( -9.442 0.000 -1.278) 9.528 10.231 ( 2.755 0.000 3.741) 4.646 10.541 ( -15.278 0.000 -20.787) 25.797 11.213 ( 0.107 0.000 -9.844) 9.845 11.717 ( -0.924 0.000 -8.180) 8.232 12.769 ( -1.275 0.000 16.409) 16.459 12.930 ( -24.474 0.000 -11.665) 27.112 14.145 ( 22.127 0.000 -4.907) 22.665 14.554 ( 2.071 0.000 2.816) 3.496 15.002 ( -1.338 0.000 0.870) 1.596 16.994 ( 8.030 0.000 10.698) 13.377 17.681 ( -4.468 0.000 -8.253) 9.385 18.311 ( 7.319 0.000 1.452) 7.461 18.903 ( 2.935 0.000 -0.001) 2.935 19.772 ( 6.572 0.000 14.732) 16.131 23.414 ( -2.773 0.000 -17.320) 17.541 23.690 ( -5.196 0.000 -1.575) 5.430 23.854 ( -1.357 0.000 -9.539) 9.635 ======================= Grid point 106 (38/230) ======================= q-point: (-0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -23.606 0.000 8.628) 25.134 1.841 ( -27.024 0.000 14.808) 30.815 3.005 ( -41.664 0.000 -5.460) 42.020 3.192 ( 1.301 0.000 -8.972) 9.065 3.585 ( 7.380 0.000 8.551) 11.295 3.634 ( 9.590 0.000 -5.153) 10.887 3.902 ( 2.075 0.000 0.506) 2.136 4.509 ( -8.581 0.000 -5.140) 10.002 5.054 ( -6.773 0.000 9.208) 11.431 5.292 ( 3.974 0.000 0.705) 4.036 5.319 ( -8.471 0.000 2.636) 8.872 5.588 ( 3.391 0.000 -4.599) 5.714 6.899 ( 5.843 0.000 -0.195) 5.847 7.252 ( 2.921 0.000 14.478) 14.769 7.366 ( 8.645 0.000 -10.216) 13.383 7.815 ( 3.203 0.000 3.063) 4.432 7.904 ( 8.051 0.000 3.526) 8.789 8.243 ( 0.769 0.000 21.405) 21.419 9.277 ( -11.428 0.000 -1.704) 11.555 10.146 ( -20.060 0.000 -30.893) 36.835 10.261 ( -1.259 0.000 4.223) 4.406 11.171 ( -2.177 0.000 -7.868) 8.163 11.711 ( 2.499 0.000 -8.158) 8.532 12.482 ( -19.372 0.000 -9.815) 21.717 12.773 ( -2.389 0.000 18.963) 19.113 14.471 ( 11.999 0.000 -4.720) 12.894 14.607 ( 2.620 0.000 2.380) 3.539 15.020 ( 4.625 0.000 -3.141) 5.591 17.201 ( 10.461 0.000 24.363) 26.514 17.616 ( 0.219 0.000 -10.010) 10.012 18.503 ( 11.526 0.000 0.226) 11.528 18.982 ( 5.036 0.000 0.942) 5.123 19.924 ( 5.176 0.000 17.759) 18.498 23.267 ( -7.555 0.000 -33.879) 34.711 23.563 ( -7.300 0.000 -1.930) 7.551 23.811 ( -1.033 0.000 -5.957) 6.046 ======================= Grid point 107 (39/230) ======================= q-point: (-0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -24.886 0.000 10.596) 27.047 1.354 ( -27.652 0.000 17.527) 32.739 2.142 ( -46.288 0.000 8.941) 47.143 3.185 ( 1.256 0.000 -5.793) 5.927 3.672 ( -0.422 0.000 3.240) 3.268 3.714 ( 1.392 0.000 -9.685) 9.785 4.040 ( 9.517 0.000 4.537) 10.543 4.420 ( -0.062 0.000 -2.304) 2.304 4.971 ( -4.163 0.000 11.784) 12.498 5.134 ( -10.965 0.000 1.823) 11.116 5.368 ( 3.802 0.000 1.533) 4.100 5.581 ( -2.490 0.000 -5.400) 5.946 6.980 ( 2.062 0.000 -3.313) 3.903 7.307 ( -1.339 0.000 7.797) 7.911 7.495 ( 7.059 0.000 -12.008) 13.930 7.856 ( 0.277 0.000 -2.467) 2.483 8.029 ( 2.939 0.000 4.902) 5.715 8.300 ( 0.083 0.000 17.000) 17.001 9.124 ( -2.152 0.000 -5.283) 5.705 9.622 ( -25.958 0.000 -30.435) 40.001 10.196 ( -6.572 0.000 5.117) 8.329 11.102 ( -2.967 0.000 -6.533) 7.175 11.782 ( 6.903 0.000 -6.909) 9.767 12.152 ( -12.972 0.000 -7.591) 15.030 12.786 ( -0.692 0.000 22.941) 22.951 14.578 ( 1.510 0.000 -2.120) 2.603 14.658 ( 2.016 0.000 1.676) 2.622 15.163 ( 10.319 0.000 -8.639) 13.458 17.589 ( 24.930 0.000 46.366) 52.643 17.645 ( 4.967 0.000 -8.524) 9.865 18.714 ( 9.728 0.000 0.110) 9.729 19.088 ( 5.351 0.000 2.137) 5.762 20.046 ( 2.968 0.000 17.186) 17.441 22.878 ( -25.214 0.000 -62.913) 67.778 23.420 ( -6.689 0.000 -1.407) 6.835 23.788 ( -0.346 0.000 -3.011) 3.031 ======================= Grid point 108 (40/230) ======================= q-point: (-0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -22.334 0.000 15.633) 27.262 0.889 ( -24.942 0.000 22.458) 33.563 1.397 ( -32.951 0.000 38.167) 50.423 3.238 ( 4.946 0.000 2.286) 5.449 3.630 ( -2.706 0.000 -1.812) 3.257 3.708 ( 0.937 0.000 -7.798) 7.854 4.195 ( 5.416 0.000 -2.535) 5.980 4.468 ( 5.204 0.000 1.130) 5.325 4.891 ( -12.144 0.000 10.686) 16.176 4.996 ( 1.135 0.000 6.018) 6.124 5.439 ( 2.539 0.000 1.408) 2.903 5.467 ( -8.832 0.000 -8.276) 12.103 6.695 ( -43.626 0.000 -37.680) 57.645 7.200 ( -4.923 0.000 2.241) 5.409 7.569 ( 3.840 0.000 -12.168) 12.759 7.834 ( 0.684 0.000 -0.366) 0.776 8.034 ( -2.882 0.000 5.315) 6.046 8.321 ( -1.254 0.000 12.493) 12.556 9.188 ( 9.771 0.000 -9.147) 13.384 9.261 ( 3.733 0.000 18.000) 18.383 10.045 ( -10.448 0.000 6.725) 12.425 11.035 ( -2.203 0.000 -6.520) 6.883 11.929 ( 9.237 0.000 -6.846) 11.498 11.953 ( -6.024 0.000 -5.709) 8.300 12.922 ( 12.117 0.000 27.613) 30.154 14.574 ( -0.612 0.000 -1.518) 1.637 14.691 ( 1.140 0.000 1.176) 1.638 15.318 ( 7.443 0.000 -10.978) 13.263 17.755 ( 7.815 0.000 -4.396) 8.966 18.607 ( 73.471 0.000 64.664) 97.875 18.855 ( 4.671 0.000 1.275) 4.842 19.200 ( 8.271 0.000 9.461) 12.567 20.102 ( -1.357 0.000 12.997) 13.068 21.656 ( -97.248 0.000 -103.699) 142.164 23.319 ( -3.335 0.000 -0.067) 3.335 23.781 ( 0.158 0.000 -1.938) 1.945 ======================= Grid point 109 (41/230) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 9.287 22.341 18.576) 30.503 0.899 ( 3.778 19.544 24.296) 31.409 1.529 ( -3.057 27.137 43.861) 51.668 3.336 ( 8.356 -5.007 11.043) 14.725 3.604 ( -3.816 3.197 -5.628) 7.514 3.780 ( 2.457 4.570 -2.842) 5.915 4.235 ( -0.035 -3.514 -12.953) 13.421 4.338 ( -5.387 -2.280 -3.816) 6.985 4.774 ( -7.387 4.573 4.159) 9.632 5.086 ( 1.510 -3.616 11.675) 12.315 5.391 ( 9.899 -0.743 1.938) 10.114 5.477 ( 5.307 1.298 2.343) 5.944 6.025 ( -2.100 10.762 5.977) 12.489 7.196 ( -2.093 3.162 2.984) 4.825 7.711 ( 3.419 5.134 -15.261) 16.460 7.874 ( 0.693 1.558 0.829) 1.896 8.071 ( -6.876 5.599 0.438) 8.878 8.346 ( -2.327 3.268 10.969) 11.680 9.412 ( 13.500 1.530 -9.004) 16.299 9.692 ( 32.765 -18.738 22.693) 44.041 9.827 ( -11.089 -2.877 7.194) 13.528 11.379 ( 6.615 2.527 -16.371) 17.837 11.985 ( 6.442 15.025 -12.605) 20.642 12.108 ( -0.123 5.697 -5.902) 8.204 13.482 ( 27.825 -3.270 0.404) 28.020 14.528 ( -1.635 -2.874 -2.923) 4.413 14.737 ( 2.096 1.995 1.272) 3.161 15.323 ( 1.000 -5.794 -10.972) 12.449 16.439 ( -60.559 -49.210 43.092) 89.140 18.718 ( -37.030 10.824 -25.256) 46.111 18.922 ( -20.588 5.597 -3.439) 21.610 19.272 ( -4.867 8.419 -2.456) 10.030 20.052 ( -7.269 1.095 7.904) 10.794 21.039 ( 84.924 -27.888 23.072) 92.315 23.820 ( 0.280 3.559 -1.518) 3.879 23.983 ( 8.171 27.396 -23.870) 37.244 ======================= Grid point 110 (42/230) ======================= q-point: ( 0.10 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 7.611 21.005 17.214) 28.204 1.206 ( 17.083 15.971 20.754) 31.267 1.962 ( 32.744 15.321 37.747) 52.266 3.525 ( -2.933 1.421 -6.800) 7.540 3.542 ( 8.584 -5.472 17.876) 20.572 3.812 ( 1.468 3.004 -3.703) 4.989 4.145 ( -7.809 0.345 -13.123) 15.274 4.271 ( 1.764 -2.915 -4.195) 5.405 4.660 ( -4.400 11.516 4.472) 13.114 5.142 ( 3.229 -7.881 10.175) 13.269 5.409 ( -2.154 0.802 0.276) 2.315 5.853 ( 14.695 -3.949 2.541) 15.427 6.158 ( 12.767 3.562 -7.533) 15.245 7.146 ( -3.756 3.855 2.721) 6.031 7.729 ( 1.963 5.747 -11.982) 13.433 7.856 ( -2.443 0.698 0.443) 2.579 7.964 ( -4.727 4.769 1.081) 6.801 8.319 ( -3.281 3.286 13.707) 14.472 9.474 ( -9.229 0.069 1.018) 9.285 9.774 ( 10.109 -1.001 -3.181) 10.645 10.359 ( 26.246 -28.302 10.957) 40.124 11.515 ( 11.572 -2.423 -16.054) 19.938 11.995 ( -7.313 7.888 -9.964) 14.662 12.152 ( 11.078 12.092 -6.858) 17.775 13.513 ( -33.009 -5.773 28.712) 44.128 14.477 ( -2.425 -5.945 -4.535) 7.860 14.735 ( -1.016 4.954 1.290) 5.219 15.268 ( -4.259 -7.473 -10.318) 13.433 15.672 ( -4.526 -1.592 12.709) 13.584 18.190 ( -7.695 11.094 -3.187) 13.872 18.848 ( -3.561 -1.217 1.196) 3.949 19.207 ( -3.854 6.376 -0.408) 7.462 19.866 ( -12.702 1.877 1.912) 12.981 22.409 ( 48.089 -46.817 2.958) 67.180 23.800 ( -1.750 3.467 -2.496) 4.616 24.048 ( 3.198 16.660 -18.196) 24.877 ======================= Grid point 111 (43/230) ======================= q-point: ( 0.20 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 17.913 9.792 13.959) 24.731 1.600 ( 18.862 12.649 17.553) 28.703 2.757 ( 39.635 7.306 24.957) 47.404 3.433 ( -5.490 2.270 -5.806) 8.307 3.673 ( -3.115 -3.454 13.631) 14.403 3.832 ( 2.420 -1.025 -1.866) 3.223 3.958 ( -6.991 0.003 -3.848) 7.980 4.332 ( 5.919 -1.552 -9.478) 11.282 4.660 ( 4.073 12.318 3.294) 13.386 5.237 ( 4.019 -8.632 6.137) 11.328 5.363 ( -2.621 -0.269 1.655) 3.112 6.003 ( 1.769 2.865 6.368) 7.204 6.334 ( 7.520 -2.287 -16.499) 18.275 7.071 ( -4.457 4.710 3.041) 7.162 7.705 ( -3.109 3.974 -6.399) 8.149 7.793 ( -3.545 0.884 0.916) 3.767 7.892 ( -3.081 5.774 -2.070) 6.864 8.292 ( -3.306 4.227 16.428) 17.282 9.295 ( -6.507 -2.113 1.741) 7.060 9.990 ( 11.003 1.479 -4.877) 12.126 10.751 ( 14.408 -16.491 5.321) 22.535 11.727 ( 13.681 -3.180 -16.175) 21.423 11.761 ( -14.072 7.374 -8.086) 17.826 12.395 ( 14.905 9.377 -2.889) 17.845 12.906 ( -29.561 4.819 42.941) 52.355 14.407 ( -4.508 -9.030 -5.855) 11.668 14.733 ( -0.946 6.098 -1.875) 6.450 15.123 ( -7.212 -8.381 -3.897) 11.723 15.946 ( 22.504 -1.550 -11.943) 25.525 18.140 ( -1.278 2.491 7.448) 7.957 18.735 ( -8.660 -1.692 1.722) 8.990 19.126 ( -4.505 6.598 0.321) 7.996 19.611 ( -12.388 1.694 -3.755) 13.055 23.042 ( 22.550 -32.611 0.464) 39.651 23.742 ( -3.478 1.893 -3.667) 5.397 24.031 ( -0.816 8.703 -10.015) 13.294 ======================= Grid point 112 (44/230) ======================= q-point: ( 0.30 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 23.143 2.625 10.312) 25.472 1.997 ( 18.367 10.090 14.514) 25.491 3.244 ( -9.400 1.520 -2.097) 9.750 3.466 ( -10.394 -1.859 2.838) 10.934 3.564 ( 27.436 4.699 14.143) 31.222 3.850 ( -2.194 0.572 -3.791) 4.417 3.898 ( 0.721 -1.775 3.143) 3.681 4.465 ( 10.424 -4.814 -9.433) 14.860 4.825 ( 11.202 10.062 5.261) 15.950 5.264 ( -2.933 -1.540 -1.542) 3.654 5.358 ( 1.683 -7.203 6.603) 9.915 5.952 ( -8.713 2.094 3.100) 9.483 6.404 ( 5.084 0.567 -14.620) 15.489 7.006 ( -3.092 3.995 5.042) 7.137 7.585 ( -7.737 4.817 -2.170) 9.368 7.726 ( -4.127 0.929 0.453) 4.255 7.829 ( -2.563 6.518 -1.280) 7.120 8.261 ( -4.404 5.222 18.920) 20.115 9.291 ( 6.119 -1.639 -1.240) 6.455 10.137 ( 5.082 2.197 -3.177) 6.383 10.977 ( 8.786 -6.939 2.417) 11.453 11.459 ( -14.470 7.863 -7.358) 18.037 11.907 ( 7.422 -0.056 -15.856) 17.507 12.567 ( -5.082 0.475 28.543) 28.996 12.789 ( 15.387 5.034 4.481) 16.798 14.235 ( -12.733 -10.500 -9.166) 18.878 14.655 ( -5.582 4.548 -2.689) 7.686 15.032 ( -2.129 -6.146 3.093) 7.203 16.339 ( 20.839 1.149 -12.671) 24.415 18.115 ( -4.236 2.992 9.253) 10.607 18.544 ( -10.948 -2.365 2.794) 11.544 19.024 ( -6.801 6.103 1.900) 9.334 19.438 ( -3.317 -0.568 -5.822) 6.725 23.372 ( 12.759 -21.672 0.734) 25.159 23.657 ( -3.738 -0.419 -6.448) 7.465 23.984 ( -2.105 4.046 -6.038) 7.566 ======================= Grid point 113 (45/230) ======================= q-point: ( 0.40 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 24.257 -0.349 7.619) 25.428 2.347 ( 13.341 7.254 11.982) 19.343 3.011 ( -11.713 5.251 -0.026) 12.836 3.156 ( -18.832 0.189 8.045) 20.480 3.731 ( -5.395 -1.251 -10.769) 12.109 3.888 ( 1.277 -4.091 -0.209) 4.290 4.161 ( 19.068 2.436 -0.255) 19.225 4.675 ( 13.517 -8.627 -5.176) 16.850 5.054 ( 8.262 4.878 3.054) 10.069 5.189 ( -2.059 1.779 3.926) 4.777 5.395 ( 0.230 -5.858 3.856) 7.017 5.705 ( -15.996 3.511 0.419) 16.382 6.489 ( 7.216 1.874 -10.471) 12.854 6.985 ( -0.709 1.190 8.363) 8.477 7.417 ( -8.528 5.364 -3.026) 10.519 7.648 ( -3.696 1.427 1.580) 4.266 7.812 ( 0.904 8.568 2.114) 8.871 8.225 ( -4.074 5.388 21.389) 22.430 9.473 ( 11.432 0.961 -3.401) 11.966 10.172 ( -0.320 0.984 -0.387) 1.105 11.069 ( -4.012 -1.315 1.510) 4.484 11.230 ( -2.716 5.803 -11.912) 13.526 11.919 ( -1.592 4.635 -11.453) 12.457 12.595 ( 1.382 -3.760 21.358) 21.731 13.184 ( 22.833 -0.734 0.479) 22.850 13.873 ( -21.491 -8.782 -12.067) 26.164 14.565 ( -2.999 2.144 0.306) 3.699 15.018 ( -1.122 -4.058 4.167) 5.924 16.671 ( 16.455 6.136 -8.179) 19.373 18.006 ( -8.554 3.891 3.927) 10.185 18.369 ( -7.578 1.164 4.057) 8.674 18.901 ( -5.191 1.110 0.487) 5.330 19.452 ( 4.456 -2.325 0.598) 5.062 23.493 ( -2.221 -6.793 -0.096) 7.147 23.640 ( 6.368 -11.239 -10.172) 16.442 23.920 ( -3.370 1.501 -4.016) 5.453 ======================= Grid point 114 (46/230) ======================= q-point: (-0.50 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -12.407 3.896 4.680) 13.820 2.674 ( 21.777 -2.434 5.592) 22.615 2.790 ( -20.735 5.075 9.576) 23.396 2.986 ( 9.486 4.000 9.732) 14.167 3.600 ( -4.425 -0.997 -14.300) 15.002 3.893 ( -0.295 -3.581 -2.835) 4.577 4.256 ( -7.433 -0.891 -13.603) 15.527 4.878 ( 3.315 -9.829 -7.824) 12.993 5.095 ( 2.431 -1.590 9.931) 10.348 5.283 ( 3.040 6.466 9.088) 11.560 5.318 ( -9.785 0.105 -3.316) 10.332 5.510 ( 1.124 3.300 2.509) 4.295 6.629 ( 9.303 2.003 -6.188) 11.351 7.015 ( 1.082 -2.092 11.686) 11.921 7.284 ( -3.272 4.724 -5.144) 7.712 7.601 ( -1.755 0.332 2.405) 2.996 7.874 ( 4.634 10.878 4.928) 12.810 8.215 ( -2.331 5.795 22.456) 23.309 9.617 ( 2.008 3.078 -3.908) 5.364 10.170 ( 1.466 -0.484 2.689) 3.101 10.847 ( -13.646 0.684 -10.723) 17.369 11.273 ( 4.853 6.243 -7.129) 10.647 11.839 ( -3.299 5.355 -10.162) 11.951 12.659 ( -0.376 -6.554 15.741) 17.055 13.400 ( -22.956 -4.767 -10.353) 25.630 13.635 ( 22.916 -5.516 -2.375) 23.690 14.546 ( 0.667 2.112 1.758) 2.828 14.995 ( -2.165 -3.687 3.011) 5.230 16.929 ( 11.659 10.847 -0.624) 15.936 17.838 ( -8.232 2.498 -3.020) 9.117 18.285 ( -1.875 3.782 3.267) 5.338 18.850 ( -0.074 -2.214 -0.298) 2.235 19.579 ( 7.035 -3.129 8.649) 11.579 23.392 ( -6.090 -8.219 -9.167) 13.736 23.745 ( 5.336 -11.055 -8.464) 14.911 23.841 ( -3.662 3.167 -1.794) 5.163 ======================= Grid point 115 (47/230) ======================= q-point: (-0.40 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -21.747 2.602 6.417) 22.823 2.378 ( -23.862 4.817 8.111) 25.659 3.045 ( 13.462 -2.237 0.249) 13.649 3.258 ( 12.404 1.027 10.372) 16.202 3.528 ( 1.203 -0.088 -11.090) 11.156 3.792 ( -16.488 -2.340 -11.019) 19.969 3.969 ( -8.368 5.072 -3.933) 10.546 4.767 ( -10.022 0.347 -5.971) 11.671 5.053 ( -6.771 -5.080 5.562) 10.129 5.258 ( 0.614 -6.667 0.172) 6.697 5.334 ( 0.996 5.004 7.131) 8.768 5.610 ( 5.901 6.270 -1.096) 8.680 6.800 ( 8.995 2.951 -2.734) 9.854 7.067 ( 1.160 -6.026 12.698) 14.103 7.289 ( 4.891 2.638 -5.722) 7.976 7.591 ( 0.080 -2.073 2.401) 3.173 8.006 ( 7.500 12.105 5.772) 15.366 8.243 ( -0.378 6.027 21.757) 22.580 9.511 ( -10.692 1.077 -2.139) 10.957 10.242 ( 3.336 1.113 3.335) 4.847 10.529 ( -15.962 -0.299 -18.623) 24.530 11.340 ( 3.797 11.451 -7.534) 14.223 11.760 ( -2.138 3.659 -10.349) 11.183 12.619 ( -8.520 -11.304 9.719) 17.171 12.987 ( -15.481 2.653 -4.715) 16.399 14.050 ( 20.227 -8.873 -2.869) 22.273 14.593 ( 3.647 3.477 1.388) 5.226 14.957 ( -1.902 -4.121 1.338) 4.732 17.098 ( 4.099 9.874 10.067) 14.685 17.716 ( -1.713 3.617 -8.648) 9.529 18.323 ( 5.231 1.024 1.443) 5.523 18.894 ( 4.528 -0.759 -0.017) 4.591 19.744 ( 7.012 -2.774 14.636) 16.464 23.205 ( -10.743 -17.225 -18.228) 27.283 23.754 ( -2.103 -1.602 -1.866) 3.236 23.828 ( 2.937 2.514 -6.989) 7.987 ======================= Grid point 116 (48/230) ======================= q-point: (-0.30 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -23.732 2.240 10.600) 26.088 1.912 ( -26.700 5.507 5.955) 27.905 3.089 ( -33.479 7.107 -2.096) 34.289 3.154 ( 0.699 -3.864 -8.664) 9.512 3.560 ( 6.009 -1.227 3.461) 7.042 3.692 ( 10.022 4.971 -2.069) 11.377 3.949 ( 2.726 4.103 1.211) 5.072 4.558 ( -8.751 4.686 -6.437) 11.831 4.964 ( -4.265 -7.384 7.896) 11.621 5.212 ( -5.471 -6.839 1.075) 8.824 5.362 ( 0.710 4.320 5.281) 6.860 5.678 ( 1.583 5.974 -5.041) 7.975 6.922 ( 2.819 2.044 0.383) 3.503 7.126 ( 2.238 -10.237 10.177) 14.607 7.410 ( 8.409 0.848 -7.123) 11.053 7.617 ( 2.230 -3.280 2.170) 4.521 8.169 ( 7.481 12.079 5.043) 15.076 8.296 ( 0.524 5.270 19.284) 19.998 9.276 ( -11.513 -0.294 -1.854) 11.665 10.097 ( -20.168 -2.672 -21.283) 29.443 10.301 ( -2.486 3.220 0.330) 4.081 11.375 ( 1.920 17.124 -11.006) 20.446 11.729 ( 1.944 1.598 -7.902) 8.294 12.377 ( -14.618 -7.673 -2.433) 16.688 12.828 ( -4.161 3.652 10.800) 12.137 14.364 ( 12.662 -8.865 -1.794) 15.560 14.666 ( 2.687 3.750 -0.926) 4.705 14.965 ( 4.088 -4.963 -1.576) 6.621 17.119 ( -4.578 -5.014 17.446) 18.721 17.782 ( 10.761 12.969 -4.611) 17.472 18.477 ( 10.041 -2.158 -0.053) 10.270 19.011 ( 7.140 2.716 0.796) 7.681 19.906 ( 5.675 -1.784 17.714) 18.686 22.868 ( -19.656 -28.327 -28.205) 44.546 23.724 ( -0.287 4.948 -2.133) 5.396 23.863 ( 2.459 6.099 -8.265) 10.562 ======================= Grid point 117 (49/230) ======================= q-point: (-0.20 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -22.198 4.051 16.921) 28.204 1.388 ( -28.877 6.309 3.518) 29.767 2.392 ( -37.231 20.551 11.453) 44.041 3.145 ( 1.042 -4.076 -5.392) 6.839 3.641 ( 2.164 -0.329 0.454) 2.236 3.809 ( 1.354 6.995 -6.245) 9.475 4.066 ( 8.046 0.739 3.083) 8.648 4.436 ( -2.525 2.505 -4.616) 5.827 4.932 ( -1.569 -3.105 11.801) 12.303 5.074 ( -8.800 -5.214 2.665) 10.570 5.397 ( 1.932 2.404 3.389) 4.583 5.649 ( -2.886 4.803 -7.100) 9.044 6.851 ( -12.283 -12.740 -1.021) 17.726 7.187 ( 1.748 -4.453 5.311) 7.148 7.551 ( 8.169 0.633 -10.644) 13.432 7.690 ( 4.862 -0.656 2.795) 5.646 8.276 ( 1.570 10.001 3.394) 10.677 8.339 ( -0.634 3.786 14.757) 15.248 9.134 ( -0.992 0.585 -4.638) 4.779 9.606 ( -23.864 -0.108 -19.548) 30.849 10.213 ( -7.603 1.473 3.908) 8.674 11.359 ( 0.178 15.272 -15.314) 21.628 11.811 ( 7.911 6.004 -6.017) 11.612 12.135 ( -8.815 0.098 -4.575) 9.932 12.826 ( 0.613 3.297 17.128) 17.453 14.525 ( 4.737 -4.564 0.324) 6.586 14.676 ( -0.304 0.676 -1.416) 1.599 15.108 ( 10.378 -5.097 -7.098) 13.567 17.058 ( -5.874 -24.826 21.670) 33.473 18.123 ( 25.370 19.389 10.759) 33.695 18.677 ( 10.445 -1.672 -0.210) 10.580 19.151 ( 6.734 5.420 2.451) 8.985 20.035 ( 3.147 -1.025 17.231) 17.546 22.256 ( -38.480 -39.552 -42.468) 69.632 23.735 ( 2.278 9.128 -4.871) 10.594 23.885 ( 2.182 12.276 -9.659) 15.772 ======================= Grid point 118 (50/230) ======================= q-point: (-0.10 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -18.727 9.851 16.998) 27.142 0.932 ( -13.794 14.716 18.296) 27.232 1.793 ( -28.774 29.845 28.175) 50.125 3.193 ( 4.642 -4.555 2.565) 6.990 3.662 ( -0.347 3.460 -1.008) 3.620 3.770 ( -1.216 5.538 -7.038) 9.038 4.203 ( 5.695 -2.524 -5.105) 8.054 4.408 ( -0.959 -0.905 -2.663) 2.972 4.906 ( -7.878 -2.942 2.352) 8.732 4.967 ( 1.485 0.923 15.938) 16.034 5.446 ( 1.961 0.618 2.242) 3.042 5.526 ( -9.522 2.634 -8.747) 13.195 6.382 ( -32.564 -12.312 -5.434) 35.235 7.211 ( -0.284 1.689 3.496) 3.893 7.659 ( 5.977 1.679 -14.610) 15.874 7.806 ( 5.681 2.745 2.747) 6.881 8.221 ( -6.966 6.858 -2.431) 10.073 8.350 ( -1.017 3.465 10.593) 11.192 9.210 ( 7.314 1.553 -9.717) 12.260 9.282 ( 0.190 2.226 13.026) 13.217 10.041 ( -11.274 -0.391 6.210) 12.877 11.337 ( 2.116 8.848 -16.521) 18.860 11.932 ( 4.202 11.428 -11.878) 17.010 12.063 ( 3.309 6.393 -3.650) 8.071 12.988 ( 14.651 5.604 17.438) 23.455 14.557 ( -0.592 -1.627 -1.343) 2.191 14.689 ( 1.969 -0.563 0.633) 2.143 15.267 ( 7.409 -5.047 -10.453) 13.770 16.974 ( -12.189 -47.205 28.956) 56.704 18.720 ( 16.680 -4.480 3.939) 17.714 19.000 ( 33.362 13.888 11.230) 37.842 19.302 ( 13.777 8.217 14.790) 21.819 20.088 ( -2.250 -1.244 12.454) 12.716 21.055 ( -74.867 -31.813 -52.150) 96.626 23.785 ( 3.777 8.427 -4.770) 10.394 23.908 ( 3.924 22.196 -15.686) 27.461 ======================= Grid point 119 (51/230) ======================= q-point: ( 0.00 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 5.078 21.814 17.436) 28.384 1.364 ( 8.630 26.432 13.223) 30.789 2.161 ( -6.237 32.576 24.055) 40.973 3.187 ( 7.797 -9.746 11.077) 16.688 3.713 ( -5.361 6.572 -5.303) 10.002 3.794 ( -1.884 -4.727 1.431) 5.286 4.204 ( 6.673 4.755 -7.637) 11.201 4.367 ( -6.995 2.397 -11.942) 14.046 4.804 ( 1.259 -2.002 4.873) 5.417 5.036 ( -2.008 0.846 12.499) 12.687 5.357 ( 1.100 -3.645 -0.816) 3.894 5.487 ( 4.196 -1.016 4.537) 6.263 6.302 ( 0.504 15.463 2.394) 15.655 7.275 ( -0.540 4.548 2.380) 5.162 7.781 ( 6.581 3.111 -8.607) 11.273 7.949 ( -1.107 5.419 0.325) 5.541 8.113 ( -6.729 -1.109 1.210) 6.926 8.448 ( -0.747 6.098 8.598) 10.567 9.447 ( 14.888 1.420 -8.308) 17.108 9.510 ( 15.884 -1.042 19.542) 25.205 9.759 ( -15.251 -4.064 5.369) 16.672 11.168 ( 2.583 -16.842 -3.935) 17.488 12.234 ( 0.290 8.759 -2.574) 9.134 12.320 ( 3.348 13.317 -12.307) 18.440 13.419 ( 13.587 -2.975 -3.920) 14.451 14.464 ( -3.307 -3.440 -4.329) 6.443 14.721 ( 4.692 -5.924 0.272) 7.562 15.178 ( -0.834 -6.609 -9.050) 11.238 15.819 ( -25.660 -18.269 25.566) 40.569 18.730 ( 1.471 -2.734 -15.217) 15.530 19.041 ( -32.941 4.238 -13.102) 35.703 19.439 ( -4.588 7.382 -5.790) 10.444 20.083 ( -5.507 1.939 10.958) 12.416 20.654 ( 47.392 -13.796 19.841) 53.198 23.914 ( -0.148 5.492 -1.116) 5.606 24.266 ( 1.989 5.562 -11.298) 12.749 ======================= Grid point 120 (52/230) ======================= q-point: ( 0.10 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 3.066 22.982 15.439) 27.856 1.580 ( 12.560 20.102 15.829) 28.502 2.372 ( 21.233 23.496 22.172) 38.659 3.383 ( 8.407 -10.227 16.622) 21.250 3.617 ( -3.035 7.823 -5.692) 10.139 3.765 ( -0.562 -7.701 -2.313) 8.061 4.165 ( -10.249 1.411 -13.112) 16.702 4.320 ( 6.045 7.482 -5.408) 11.035 4.863 ( 2.840 5.385 4.839) 7.777 4.999 ( -2.375 -2.863 10.554) 11.191 5.377 ( -0.897 -4.385 -0.331) 4.488 5.709 ( 14.686 -7.524 1.713) 16.590 6.356 ( 3.540 12.510 0.003) 13.001 7.250 ( -2.737 6.028 3.164) 7.338 7.851 ( 1.903 6.474 -6.597) 9.437 7.907 ( -2.903 4.642 0.515) 5.499 8.023 ( -2.391 0.116 1.709) 2.942 8.438 ( -2.395 8.793 9.906) 13.461 9.443 ( -14.516 -3.513 2.455) 15.135 9.755 ( 15.317 -0.691 -6.450) 16.634 9.997 ( 26.324 -9.060 19.773) 34.147 11.274 ( 9.027 -16.909 -3.022) 19.404 12.155 ( -6.552 8.675 -5.409) 12.142 12.423 ( 9.104 12.093 -8.427) 17.324 13.424 ( -15.323 -3.231 9.213) 18.169 14.361 ( -6.032 -5.657 -6.482) 10.507 14.778 ( 1.671 -3.541 3.210) 5.063 15.073 ( -6.785 -8.283 -8.883) 13.912 15.625 ( 4.587 -2.814 5.993) 8.055 18.371 ( -16.628 6.509 -16.508) 24.318 18.819 ( -2.790 -1.545 0.273) 3.201 19.363 ( -3.932 8.348 -2.648) 9.601 19.921 ( -12.370 3.577 6.279) 14.325 21.649 ( 45.501 -29.943 12.980) 55.995 23.881 ( -3.010 4.625 -1.725) 5.782 24.226 ( -3.081 3.438 -9.265) 10.352 ======================= Grid point 121 (53/230) ======================= q-point: ( 0.20 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 7.669 17.459 13.774) 23.524 1.901 ( 16.400 16.525 12.242) 26.304 2.910 ( 25.935 6.618 14.105) 30.255 3.523 ( 0.106 -7.639 16.365) 18.061 3.587 ( 0.821 10.611 -0.755) 10.669 3.771 ( 2.216 -6.354 -5.713) 8.828 3.948 ( -7.446 -0.350 -8.379) 11.215 4.387 ( 2.617 6.510 -9.318) 11.664 4.914 ( 2.026 11.404 7.756) 13.939 5.051 ( 4.996 -8.549 6.182) 11.673 5.338 ( -2.855 -2.606 -0.063) 3.866 5.915 ( 5.421 -9.339 -0.553) 10.813 6.416 ( 3.206 8.257 -4.165) 9.788 7.185 ( -4.955 5.787 4.098) 8.651 7.826 ( -3.052 7.281 2.123) 8.176 7.850 ( -2.799 5.331 -0.234) 6.026 8.004 ( -1.353 4.224 -2.886) 5.291 8.421 ( -2.009 9.187 11.980) 15.230 9.223 ( -6.765 -4.933 0.199) 8.374 10.016 ( 12.410 0.781 -6.612) 14.083 10.511 ( 21.597 -7.254 16.972) 28.409 11.473 ( 11.583 -15.950 -5.504) 20.466 11.982 ( -9.076 11.032 -7.318) 16.051 12.606 ( 11.224 9.461 -5.182) 15.567 13.031 ( -23.863 6.910 21.529) 32.874 14.213 ( -8.238 -10.422 -7.660) 15.334 14.832 ( 2.354 1.010 2.744) 3.753 14.900 ( -8.397 -10.058 -5.950) 14.390 15.922 ( 23.165 -0.689 -9.271) 24.961 18.179 ( -3.030 0.976 -4.172) 5.247 18.711 ( -8.903 -0.552 0.697) 8.948 19.280 ( -4.126 7.924 -0.687) 8.961 19.665 ( -14.568 3.897 1.575) 15.162 22.388 ( 30.161 -31.057 6.040) 43.712 23.791 ( -5.764 2.830 -3.223) 7.184 24.129 ( -4.633 1.888 -5.883) 7.723 ======================= Grid point 122 (54/230) ======================= q-point: ( 0.30 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 15.993 8.434 9.220) 20.295 2.244 ( 16.461 13.932 8.945) 23.347 3.226 ( 2.880 -3.698 1.002) 4.793 3.409 ( -15.256 -4.984 5.115) 16.845 3.639 ( 3.075 0.774 5.117) 6.019 3.866 ( 6.607 0.864 -5.879) 8.886 3.929 ( 9.497 7.126 5.669) 13.157 4.409 ( 3.908 0.192 -13.489) 14.045 5.007 ( 5.461 3.475 6.698) 9.314 5.165 ( 4.029 -4.159 4.143) 7.120 5.284 ( -1.812 -0.383 1.912) 2.662 5.909 ( -5.513 -5.850 -0.152) 8.040 6.468 ( 4.009 5.567 -6.477) 9.435 7.090 ( -5.673 3.563 5.011) 8.366 7.761 ( -5.317 12.937 0.030) 13.987 7.784 ( -4.143 4.717 2.448) 6.739 7.950 ( -2.484 3.546 0.889) 4.420 8.406 ( -2.737 10.016 13.333) 16.899 9.241 ( 8.870 -3.265 -2.364) 9.743 10.171 ( 5.008 0.648 -5.612) 7.550 10.885 ( 13.665 -2.046 13.591) 19.382 11.553 ( -4.837 -1.743 -12.759) 13.756 11.886 ( 3.974 2.219 -5.765) 7.345 12.674 ( -10.953 8.725 17.511) 22.421 12.876 ( 10.671 3.508 3.177) 11.674 13.983 ( -14.131 -14.438 -8.578) 21.949 14.716 ( -7.016 0.371 -4.574) 8.384 14.900 ( 1.699 -5.064 4.715) 7.125 16.379 ( 26.167 2.790 -13.258) 29.466 18.166 ( 0.376 1.172 1.360) 1.834 18.508 ( -11.142 -0.577 1.634) 11.276 19.177 ( -9.138 8.439 5.347) 13.540 19.427 ( -7.625 -0.132 -4.040) 8.630 22.872 ( 20.428 -26.796 2.234) 33.769 23.646 ( -8.315 -0.602 -5.899) 10.213 24.035 ( -3.965 1.314 -3.320) 5.336 ======================= Grid point 123 (55/230) ======================= q-point: ( 0.40 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 19.495 0.278 4.472) 20.003 2.550 ( 12.370 12.577 4.730) 18.264 3.086 ( -17.077 -2.513 6.251) 18.358 3.161 ( -7.885 3.261 2.756) 8.967 3.630 ( -3.505 -7.871 -2.134) 8.876 3.859 ( -0.555 0.942 -7.920) 7.996 4.250 ( 11.122 6.680 0.262) 12.977 4.504 ( 10.282 -7.346 -10.152) 16.209 5.076 ( -0.769 -4.827 -5.949) 7.700 5.231 ( 5.271 -0.503 12.669) 13.731 5.331 ( 3.734 3.680 5.920) 7.908 5.730 ( -12.429 -1.068 1.504) 12.565 6.551 ( 6.224 4.527 -5.298) 9.343 7.012 ( -3.519 1.180 6.388) 7.389 7.606 ( -8.550 12.554 -6.939) 16.698 7.714 ( -4.158 4.870 4.155) 7.633 7.953 ( 1.380 4.196 8.227) 9.338 8.395 ( -1.566 12.275 14.609) 19.146 9.490 ( 15.539 0.425 -4.004) 16.052 10.183 ( -2.056 -0.346 -2.635) 3.360 11.063 ( -0.286 0.768 4.810) 4.880 11.390 ( -3.017 9.665 -9.598) 13.951 11.959 ( 2.371 -1.605 -10.470) 10.854 12.567 ( -4.673 2.416 19.222) 19.929 13.146 ( 15.546 -3.484 1.627) 16.015 13.645 ( -18.162 -13.359 -9.515) 24.472 14.616 ( -2.525 2.759 -1.886) 4.189 14.923 ( -0.495 -4.848 4.214) 6.443 16.831 ( 23.796 9.372 -11.592) 28.080 18.107 ( -8.484 5.712 0.435) 10.237 18.386 ( -0.882 0.015 3.798) 3.899 18.950 ( -13.438 4.049 4.098) 14.621 19.387 ( 2.446 -3.989 0.618) 4.720 23.208 ( 14.954 -21.872 -0.533) 26.501 23.443 ( -11.127 -5.981 -8.945) 15.479 23.965 ( -2.643 2.298 -2.076) 4.072 ======================= Grid point 124 (56/230) ======================= q-point: (-0.50 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -5.110 6.816 -2.695) 8.935 2.544 ( 0.633 -6.015 1.590) 6.254 2.932 ( -4.543 5.983 10.815) 13.168 3.066 ( 4.735 4.263 7.011) 9.474 3.538 ( -3.621 -6.064 -8.956) 11.406 3.843 ( 0.269 -0.013 -7.206) 7.211 4.254 ( -6.000 0.551 -9.449) 11.206 4.679 ( 5.870 -8.873 -11.252) 15.486 5.062 ( 1.582 -2.411 5.608) 6.306 5.316 ( -6.099 -0.732 1.400) 6.300 5.410 ( 2.396 6.480 10.063) 12.207 5.544 ( -0.702 0.081 4.400) 4.457 6.679 ( 7.941 3.346 -1.559) 8.757 6.988 ( -1.119 -0.683 7.681) 7.792 7.448 ( -5.182 10.814 -8.912) 14.941 7.652 ( -2.995 3.932 2.944) 5.753 8.028 ( 4.048 4.269 10.598) 12.122 8.417 ( -0.162 14.228 15.614) 21.125 9.683 ( 1.535 2.652 -5.633) 6.412 10.159 ( 2.907 -0.563 2.432) 3.831 10.882 ( -13.831 3.021 -10.609) 17.691 11.457 ( 7.596 11.862 -0.254) 14.088 11.919 ( -2.963 0.428 -12.855) 13.199 12.526 ( -5.295 -4.699 14.179) 15.848 13.270 ( -15.528 -7.835 -6.812) 18.679 13.479 ( 16.561 -9.761 -0.059) 19.223 14.609 ( 1.941 4.088 -0.419) 4.545 14.903 ( -2.307 -5.050 3.171) 6.394 17.214 ( 17.292 16.691 -4.525) 24.456 17.909 ( -9.780 4.535 -3.462) 11.322 18.390 ( -2.658 6.344 4.457) 8.196 18.785 ( -1.762 -4.266 0.612) 4.656 19.489 ( 6.617 -5.694 8.352) 12.081 23.163 ( -14.667 -16.186 -15.485) 26.775 23.462 ( 11.210 -12.665 0.742) 16.930 23.924 ( -1.000 3.711 -2.345) 4.502 ======================= Grid point 125 (57/230) ======================= q-point: (-0.40 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -22.034 6.003 4.351) 23.248 2.449 ( -16.974 3.177 -0.950) 17.295 2.990 ( 6.486 -2.932 -1.383) 7.251 3.273 ( 9.662 0.607 7.548) 12.276 3.473 ( -0.816 -5.899 -9.608) 11.304 3.802 ( -2.837 3.702 -7.361) 8.714 4.104 ( -5.048 7.843 -2.255) 9.595 4.679 ( -0.545 -9.092 -11.656) 14.792 5.044 ( -13.278 3.873 8.431) 16.199 5.144 ( -1.328 -3.678 2.180) 4.477 5.444 ( -0.304 5.222 7.319) 8.996 5.665 ( 6.792 -1.066 0.845) 6.927 6.839 ( 8.203 -0.015 3.306) 8.845 6.981 ( -2.064 -1.215 6.728) 7.141 7.382 ( 0.630 7.258 -9.447) 11.930 7.625 ( -0.080 3.741 1.795) 4.150 8.155 ( 6.395 3.450 9.838) 12.231 8.455 ( 0.055 14.352 15.545) 21.157 9.523 ( -13.462 -0.319 -2.879) 13.770 10.274 ( 3.825 1.892 2.741) 5.072 10.560 ( -15.452 3.804 -15.388) 22.137 11.619 ( 8.905 15.551 -1.855) 18.016 11.800 ( -5.673 -2.217 -12.744) 14.124 12.419 ( -7.811 -6.022 7.002) 12.096 13.007 ( -9.848 -0.547 -3.103) 10.340 13.814 ( 17.559 -14.361 0.043) 22.684 14.675 ( 4.374 4.215 -1.052) 6.165 14.859 ( -2.519 -5.015 2.511) 6.148 17.349 ( -7.642 14.100 9.152) 18.465 17.831 ( 6.601 8.017 -9.795) 14.275 18.339 ( -0.068 0.278 1.294) 1.326 18.878 ( 9.146 -0.694 0.123) 9.174 19.663 ( 8.299 -5.263 14.321) 17.368 22.792 ( -20.051 -23.022 -20.172) 36.592 23.647 ( 7.866 -5.862 0.317) 9.815 23.922 ( 1.808 4.250 -3.886) 6.036 ======================= Grid point 126 (58/230) ======================= q-point: (-0.30 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -20.952 8.972 7.857) 24.109 2.050 ( -22.960 9.044 -2.316) 24.786 3.038 ( 0.381 -7.456 -7.651) 10.690 3.205 ( -17.345 2.661 0.652) 17.560 3.552 ( 8.581 -0.039 -1.913) 8.792 3.822 ( 7.405 7.874 -0.415) 10.817 4.056 ( -2.150 6.597 1.728) 7.150 4.645 ( -1.723 -0.175 -9.306) 9.466 4.831 ( -6.606 -1.956 7.196) 9.963 5.099 ( -5.617 -3.466 4.596) 8.043 5.444 ( -1.199 3.423 6.133) 7.125 5.739 ( 0.891 -1.058 -3.896) 4.135 6.878 ( -8.295 -7.293 8.625) 14.014 7.030 ( 7.974 3.192 1.078) 8.656 7.422 ( 5.512 2.260 -9.257) 11.008 7.667 ( 4.060 4.725 1.600) 6.432 8.296 ( 5.219 1.868 7.435) 9.274 8.485 ( -0.715 12.588 13.796) 18.690 9.258 ( -11.776 -1.613 -1.340) 11.962 10.091 ( -19.824 2.409 -12.182) 23.393 10.375 ( -3.932 3.986 -1.333) 5.756 11.571 ( -9.794 -5.601 -13.107) 17.295 11.865 ( 12.450 16.155 -1.563) 20.456 12.300 ( -4.652 2.406 -2.114) 5.648 12.879 ( -3.758 1.158 3.660) 5.372 14.133 ( 15.490 -14.393 -0.427) 21.149 14.711 ( -1.358 -0.521 -3.600) 3.883 14.874 ( 4.799 -2.081 1.876) 5.557 17.066 ( -20.868 0.043 12.836) 24.500 18.019 ( 12.340 7.889 -3.711) 15.109 18.461 ( 12.397 2.823 -0.458) 12.723 19.077 ( 10.726 3.451 0.378) 11.273 19.856 ( 7.438 -3.161 17.655) 19.417 22.282 ( -28.330 -28.755 -26.200) 48.123 23.763 ( 4.538 0.761 -0.032) 4.601 23.983 ( 5.556 4.464 -5.510) 9.009 ======================= Grid point 127 (59/230) ======================= q-point: (-0.20 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -15.135 15.980 10.169) 24.245 1.608 ( -21.456 14.774 -0.212) 26.051 2.800 ( -23.659 17.272 9.540) 30.807 3.023 ( 0.249 -7.951 -4.461) 9.120 3.688 ( 5.921 5.119 0.370) 7.835 3.959 ( -0.368 6.338 -3.775) 7.387 4.021 ( 3.600 -3.384 1.313) 5.112 4.539 ( -4.396 7.004 -8.524) 11.875 4.873 ( 5.086 -3.420 11.846) 13.338 4.965 ( -8.593 -3.729 3.531) 10.011 5.437 ( -0.646 0.965 5.028) 5.160 5.680 ( -5.716 -3.138 -6.970) 9.545 6.661 ( -15.079 -3.118 3.361) 15.761 7.172 ( 5.774 1.745 2.572) 6.558 7.531 ( 7.776 -0.558 -9.277) 12.117 7.779 ( 6.808 5.736 2.518) 9.251 8.347 ( -1.978 -0.337 3.775) 4.275 8.485 ( -2.580 9.167 10.890) 14.467 9.131 ( -0.039 -0.986 -3.058) 3.213 9.660 ( -20.371 5.901 -8.037) 22.681 10.246 ( -9.793 1.663 2.307) 10.197 11.351 ( -9.283 -12.516 -9.759) 18.386 12.106 ( 11.236 15.672 -2.063) 19.394 12.240 ( 0.529 12.690 -11.565) 17.177 12.888 ( 4.004 2.318 7.606) 8.903 14.388 ( 10.790 -10.124 0.593) 14.807 14.648 ( -3.140 -3.877 -4.140) 6.483 15.008 ( 8.182 -3.211 -2.601) 9.166 16.678 ( -22.962 -12.987 17.591) 31.707 18.291 ( 16.686 -2.084 -0.532) 16.824 18.773 ( 19.925 11.741 2.983) 23.319 19.268 ( 8.717 5.637 2.226) 10.617 20.012 ( 4.073 -1.033 17.569) 18.065 21.553 ( -41.396 -29.877 -32.312) 60.418 23.838 ( 3.615 4.223 -0.839) 5.622 24.092 ( 7.081 6.283 -7.089) 11.827 ======================= Grid point 128 (60/230) ======================= q-point: (-0.10 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -2.812 25.318 10.372) 27.505 1.305 ( -9.621 20.827 10.900) 25.400 2.396 ( -20.866 28.102 18.650) 39.660 3.057 ( 3.798 -8.985 3.082) 10.231 3.773 ( 1.990 7.642 0.873) 7.945 3.857 ( -6.251 -0.940 -0.364) 6.332 4.115 ( 5.076 -0.470 -8.580) 9.980 4.473 ( -1.688 5.001 -9.253) 10.652 4.826 ( -5.456 -3.597 4.457) 7.911 4.989 ( 2.744 0.524 14.214) 14.486 5.445 ( 0.059 -1.993 2.759) 3.405 5.493 ( -10.820 -4.654 -4.952) 12.777 6.389 ( -11.063 9.451 1.682) 14.647 7.255 ( 2.268 2.681 2.395) 4.251 7.661 ( 7.885 0.095 -9.112) 12.050 7.910 ( 5.058 5.930 2.646) 8.231 8.253 ( -7.169 -1.326 -0.488) 7.307 8.450 ( -2.487 5.417 8.816) 10.641 9.225 ( 9.836 -0.301 -7.047) 12.103 9.378 ( -6.338 8.021 8.384) 13.221 10.028 ( -13.592 -0.974 4.616) 14.388 11.197 ( -4.264 -15.628 -6.504) 17.456 12.202 ( 2.088 9.472 -3.208) 10.216 12.293 ( 5.001 16.270 -13.469) 21.706 13.096 ( 16.136 4.288 2.326) 16.857 14.512 ( 0.340 -2.908 -0.524) 2.974 14.624 ( 3.798 -7.681 -2.741) 8.997 15.141 ( 6.074 -5.843 -6.869) 10.873 16.271 ( -25.460 -23.323 24.294) 42.218 18.590 ( 13.231 -7.108 -5.513) 15.999 19.224 ( 18.631 9.289 -2.080) 20.921 19.457 ( 13.924 6.508 13.755) 20.626 20.063 ( -3.860 -1.023 11.295) 11.980 20.602 ( -42.525 -15.955 -24.932) 51.813 23.895 ( 2.330 5.459 -1.034) 6.025 24.206 ( 6.413 7.213 -9.749) 13.718 ======================= Grid point 129 (61/230) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 4.551 21.550 13.445) 25.805 1.884 ( 4.071 24.888 10.709) 27.398 2.706 ( -2.000 18.057 7.945) 19.829 2.963 ( 6.822 -11.228 12.104) 17.864 3.563 ( -5.852 -12.215 4.200) 14.181 3.949 ( -3.422 13.618 -2.402) 14.246 4.369 ( 7.425 8.878 -4.623) 12.463 4.412 ( -8.809 2.136 -10.925) 14.195 4.751 ( 1.515 -1.355 4.911) 5.315 5.091 ( 0.939 3.359 10.141) 10.724 5.234 ( -1.061 -8.515 -2.821) 9.033 5.414 ( 3.730 -6.321 5.316) 9.062 6.584 ( -0.121 11.595 -0.760) 11.621 7.385 ( 0.975 6.788 3.387) 7.648 7.843 ( 9.324 1.594 -3.046) 9.938 8.023 ( -3.231 -0.632 6.106) 6.937 8.106 ( -5.239 4.085 -3.893) 7.700 8.556 ( 4.115 4.427 9.520) 11.277 9.438 ( 14.873 -2.176 -5.020) 15.848 9.611 ( 6.688 8.913 12.068) 16.426 9.684 ( -17.252 -2.251 2.828) 17.627 10.803 ( 2.252 -18.746 0.744) 18.895 12.452 ( -1.497 13.081 -1.927) 13.307 12.522 ( 2.670 7.224 -7.297) 10.609 13.355 ( 7.522 -3.861 -4.689) 9.668 14.368 ( -4.063 -9.122 -6.636) 11.990 14.496 ( 4.955 -10.897 0.097) 11.972 15.125 ( -0.257 0.397 -6.086) 6.104 15.579 ( -14.204 -7.534 13.551) 21.027 18.676 ( 8.439 -2.299 -16.922) 19.049 19.101 ( -32.396 2.094 -14.702) 35.638 19.560 ( 0.034 4.749 -8.577) 9.804 20.128 ( -2.155 2.539 14.627) 15.002 20.431 ( 30.279 -9.068 19.080) 36.921 24.027 ( -0.638 5.580 -0.730) 5.664 24.304 ( -0.233 -0.633 -4.819) 4.866 ======================= Grid point 130 (62/230) ======================= q-point: ( 0.10 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 4.501 21.039 13.593) 25.449 1.985 ( 6.557 19.978 13.433) 24.951 2.796 ( 9.085 16.541 6.494) 19.958 3.146 ( 7.905 -13.006 15.785) 21.928 3.512 ( 0.223 -13.515 -1.045) 13.557 3.897 ( -0.484 17.387 -0.801) 17.412 4.189 ( -11.483 0.959 -10.950) 15.896 4.478 ( 4.814 5.657 -4.864) 8.879 4.834 ( 5.119 -1.200 4.868) 7.165 5.073 ( -4.188 2.084 8.772) 9.942 5.257 ( 2.901 -4.972 -1.517) 5.954 5.560 ( 9.041 -8.089 3.787) 12.708 6.584 ( 0.130 9.598 -1.434) 9.706 7.374 ( -3.395 6.295 4.333) 8.362 7.953 ( -3.425 -3.803 7.491) 9.072 8.003 ( 6.032 6.084 0.833) 8.608 8.026 ( -1.781 6.037 -4.660) 7.832 8.644 ( 1.339 10.942 8.058) 13.654 9.345 ( -16.204 -5.886 1.565) 17.311 9.743 ( 16.576 -0.670 -5.581) 17.503 9.938 ( 21.949 1.864 16.500) 27.522 10.918 ( 9.128 -17.626 2.432) 19.998 12.367 ( -5.509 12.457 -4.442) 14.327 12.609 ( 6.750 6.817 -4.789) 10.723 13.362 ( -6.848 -3.660 1.860) 7.984 14.224 ( -9.401 -9.370 -7.857) 15.424 14.576 ( 3.493 -11.166 1.186) 11.760 15.030 ( -6.143 1.239 -4.865) 7.934 15.571 ( 10.449 -2.403 1.282) 10.798 18.460 ( -19.582 2.758 -21.488) 29.203 18.792 ( -1.355 -1.035 -1.555) 2.308 19.512 ( -3.380 6.073 -6.957) 9.834 20.006 ( -11.348 4.780 10.936) 16.469 21.172 ( 37.108 -18.598 15.779) 44.406 23.976 ( -4.421 4.732 -1.555) 6.660 24.242 ( -4.523 -1.094 -4.720) 6.628 ======================= Grid point 131 (63/230) ======================= q-point: ( 0.20 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 1.075 19.547 12.607) 23.285 2.231 ( 13.626 15.800 9.619) 22.975 3.008 ( 9.647 3.539 2.546) 10.586 3.285 ( 1.103 -13.524 15.313) 20.460 3.578 ( 7.469 -11.815 -6.471) 15.403 3.909 ( -7.444 10.464 -4.013) 13.454 3.991 ( 3.264 11.683 0.627) 12.147 4.518 ( 0.747 4.559 -8.452) 9.632 4.915 ( 0.918 -2.258 2.268) 3.329 5.043 ( 0.387 -3.487 9.059) 9.715 5.311 ( 3.144 2.994 -0.465) 4.366 5.719 ( 5.711 -9.677 2.325) 11.474 6.582 ( 0.286 7.744 -1.935) 7.987 7.273 ( -7.806 2.707 4.361) 9.342 7.939 ( -0.621 2.103 8.295) 8.580 7.972 ( -2.895 4.336 4.536) 6.911 8.093 ( 1.709 7.946 -5.507) 9.818 8.657 ( -0.918 13.464 7.545) 15.461 9.115 ( -5.954 -5.380 -1.170) 8.109 10.008 ( 11.856 -1.798 -6.984) 13.877 10.445 ( 24.244 0.091 19.311) 30.995 11.143 ( 13.183 -16.054 0.832) 20.790 12.230 ( -7.410 13.978 -5.537) 16.761 12.738 ( 7.282 3.675 -3.200) 8.762 13.143 ( -15.147 3.795 9.334) 18.193 13.980 ( -13.822 -13.128 -8.233) 20.765 14.636 ( 2.317 -9.165 0.722) 9.481 14.926 ( -3.526 2.781 -3.222) 5.527 15.915 ( 25.204 -0.154 -9.160) 26.818 18.178 ( -6.092 -0.782 -9.497) 11.310 18.713 ( -6.798 0.642 -3.090) 7.495 19.410 ( -5.332 4.606 -4.729) 8.486 19.771 ( -15.348 6.442 8.618) 18.744 21.846 ( 29.896 -22.518 9.608) 38.641 23.849 ( -8.456 2.813 -3.173) 9.459 24.134 ( -5.104 -0.908 -3.618) 6.321 ======================= Grid point 132 (64/230) ======================= q-point: ( 0.30 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 6.609 12.876 8.555) 16.813 2.520 ( 14.384 12.450 6.009) 19.950 3.128 ( 1.671 -5.248 -0.270) 5.514 3.240 ( -7.515 -10.234 7.756) 14.879 3.653 ( -4.464 -0.052 -1.065) 4.589 3.781 ( 4.288 -5.661 -10.919) 13.025 4.216 ( 14.290 17.551 8.728) 24.258 4.462 ( -3.448 3.564 -13.147) 14.051 4.912 ( -0.227 -6.453 -1.416) 6.611 5.090 ( 1.239 -7.433 8.496) 11.356 5.387 ( 4.474 8.584 3.311) 10.230 5.767 ( -1.454 -7.434 2.894) 8.109 6.601 ( 2.545 7.283 -1.918) 7.950 7.128 ( -7.662 0.194 4.481) 8.878 7.890 ( -4.922 5.061 4.185) 8.207 7.934 ( -6.282 -4.049 2.564) 7.901 8.073 ( 0.229 16.607 0.936) 16.634 8.662 ( -0.529 14.429 8.347) 16.678 9.168 ( 11.631 -3.989 -1.839) 12.433 10.146 ( 4.217 -3.301 -6.565) 8.472 10.889 ( 16.546 2.262 16.520) 23.491 11.381 ( 11.012 -11.975 -5.413) 17.145 12.071 ( -7.425 13.930 -3.703) 16.213 12.812 ( -4.694 1.754 5.747) 7.625 12.947 ( -1.544 5.607 5.272) 7.850 13.672 ( -15.848 -16.276 -7.433) 23.902 14.660 ( 0.392 -3.928 -1.605) 4.262 14.876 ( -1.658 1.128 0.362) 2.038 16.442 ( 31.753 3.277 -14.256) 34.961 18.149 ( 3.595 -2.398 -3.234) 5.397 18.530 ( -10.998 2.327 -2.156) 11.447 19.301 ( -5.943 2.414 1.627) 6.618 19.473 ( -16.697 5.753 4.633) 18.258 22.365 ( 23.061 -22.422 4.643) 32.498 23.635 ( -12.776 -0.435 -5.372) 13.866 24.047 ( -3.100 0.126 -2.479) 3.972 ======================= Grid point 133 (65/230) ======================= q-point: ( 0.40 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 9.701 3.054 3.756) 10.841 2.804 ( 14.081 9.649 3.184) 17.364 2.961 ( -15.671 -5.802 2.500) 16.896 3.190 ( -0.915 -2.725 0.809) 2.986 3.531 ( -6.977 0.133 0.758) 7.019 3.857 ( 3.927 -2.422 -11.972) 12.830 4.344 ( -4.171 0.287 -15.224) 15.788 4.492 ( 10.249 8.208 0.980) 13.167 4.911 ( 1.823 -9.426 -3.960) 10.385 5.158 ( 3.993 -5.542 12.697) 14.417 5.480 ( 3.354 7.780 6.579) 10.727 5.683 ( -7.887 -2.947 4.866) 9.724 6.675 ( 5.312 7.749 -0.793) 9.428 7.022 ( -4.335 -0.251 4.764) 6.446 7.751 ( -9.172 -2.009 -7.438) 11.979 7.806 ( -5.456 3.734 5.394) 8.533 8.112 ( 1.763 15.373 6.909) 16.946 8.682 ( 0.343 14.881 10.080) 17.976 9.476 ( 18.144 -2.279 -1.542) 18.351 10.147 ( -2.050 -3.303 -3.719) 5.380 11.101 ( 1.505 3.156 2.447) 4.267 11.529 ( 7.669 0.949 -5.166) 9.296 11.954 ( -4.422 5.465 -1.514) 7.191 12.668 ( -9.571 6.010 11.847) 16.373 13.030 ( 5.844 -8.309 0.640) 10.178 13.377 ( -12.024 -12.249 -5.971) 18.173 14.660 ( 0.665 1.091 -2.694) 2.981 14.850 ( -1.669 -1.828 2.531) 3.541 17.023 ( 31.823 9.294 -14.426) 36.155 18.210 ( -3.602 3.731 -4.893) 7.130 18.366 ( 0.957 -1.261 3.132) 3.509 19.059 ( -21.158 6.122 9.816) 24.115 19.305 ( -0.665 -3.710 0.448) 3.795 22.750 ( 15.599 -21.599 -1.236) 26.671 23.357 ( -13.292 -2.963 -5.312) 14.618 24.000 ( -1.345 1.211 -2.335) 2.954 ======================= Grid point 134 (66/230) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 1.739 -7.422 0.470) 7.637 2.672 ( -11.768 3.216 0.381) 12.206 3.060 ( 9.541 8.341 1.035) 12.715 3.137 ( -3.571 1.694 2.266) 4.556 3.400 ( -5.386 -5.039 -3.689) 8.247 3.878 ( 1.487 1.351 -9.995) 10.195 4.236 ( -2.446 -2.061 -13.672) 14.041 4.568 ( 0.246 -2.806 -13.863) 14.147 5.002 ( 5.744 -2.208 9.699) 11.487 5.270 ( 1.624 -4.014 9.485) 10.426 5.509 ( -3.624 0.311 4.517) 5.799 5.562 ( -1.626 4.728 8.859) 10.173 6.780 ( 4.837 6.726 2.608) 8.685 6.980 ( -1.635 -0.247 4.088) 4.410 7.588 ( -4.935 -0.276 -9.877) 11.045 7.728 ( -3.610 3.510 3.170) 5.950 8.167 ( 2.468 12.330 7.149) 14.464 8.717 ( 0.287 14.364 12.081) 18.772 9.683 ( -1.046 -3.479 -3.189) 4.834 10.152 ( 6.371 -0.107 2.592) 6.879 10.971 ( -11.441 5.813 -12.242) 17.735 11.700 ( 9.817 7.420 1.018) 12.347 11.851 ( -6.385 -1.416 -3.821) 7.575 12.510 ( -8.494 1.928 6.467) 10.848 13.095 ( -3.219 -9.770 -0.479) 10.298 13.273 ( 5.897 -9.623 -0.989) 11.329 14.684 ( 2.394 2.073 -2.601) 4.098 14.820 ( -1.974 -2.085 3.068) 4.202 17.558 ( 25.526 16.828 -8.868) 31.834 18.013 ( -10.747 5.505 -5.563) 13.295 18.509 ( 0.367 4.362 6.142) 7.542 18.690 ( -9.980 -4.597 3.757) 11.612 19.366 ( 5.581 -6.046 7.620) 11.215 22.769 ( -13.917 -20.320 -14.886) 28.779 23.300 ( 9.949 -4.611 3.334) 11.461 23.980 ( -0.191 1.862 -2.874) 3.430 ======================= Grid point 135 (67/230) ======================= q-point: (-0.40 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -14.897 -0.467 2.340) 15.087 2.555 ( -6.907 6.390 -3.015) 9.881 2.954 ( -6.933 0.444 -4.808) 8.448 3.291 ( 0.443 -1.277 3.105) 3.387 3.337 ( 7.468 -3.482 -7.783) 11.335 3.878 ( 1.469 1.305 -5.318) 5.670 4.231 ( 3.881 3.795 -5.972) 8.070 4.495 ( -3.113 -6.913 -13.778) 15.726 5.103 ( 0.433 1.253 14.252) 14.313 5.154 ( -11.400 4.385 3.581) 12.728 5.518 ( 0.429 -0.327 0.193) 0.573 5.597 ( 2.603 -2.545 9.325) 10.010 6.842 ( -0.818 1.400 7.480) 7.653 6.985 ( 2.724 0.538 1.468) 3.141 7.519 ( -0.158 3.967 -11.248) 11.928 7.696 ( 0.035 2.894 1.509) 3.264 8.245 ( 3.906 7.606 5.960) 10.423 8.742 ( -0.914 13.223 12.600) 18.288 9.482 ( -15.104 -4.077 -0.856) 15.668 10.303 ( 3.641 0.691 3.970) 5.431 10.683 ( -13.726 8.335 -14.672) 21.752 11.616 ( -13.718 -13.634 -7.687) 20.812 11.948 ( 12.679 16.251 3.692) 20.940 12.421 ( -1.029 4.259 -0.585) 4.420 12.980 ( -6.288 -1.514 -2.758) 7.031 13.495 ( 14.533 -17.024 1.870) 22.462 14.707 ( -0.760 -2.468 -2.485) 3.584 14.817 ( 2.086 2.290 2.635) 4.067 17.621 ( -20.811 12.656 7.391) 25.454 18.016 ( 7.310 8.200 -8.827) 14.092 18.341 ( 2.851 1.486 -0.487) 3.252 18.863 ( 14.040 -1.262 1.009) 14.133 19.543 ( 9.881 -6.294 13.570) 17.927 22.342 ( -24.180 -20.397 -19.075) 36.940 23.553 ( 13.087 -3.424 2.653) 13.785 23.984 ( 1.652 2.022 -3.431) 4.312 ======================= Grid point 136 (68/230) ======================= q-point: (-0.30 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -12.058 10.016 3.661) 16.097 2.294 ( -17.372 14.964 -3.561) 23.204 2.869 ( -1.803 -8.872 -7.057) 11.479 3.173 ( -8.283 -5.970 -2.432) 10.496 3.560 ( 12.571 2.037 -2.327) 12.946 3.951 ( 6.774 2.510 0.217) 7.227 4.200 ( -9.079 7.302 1.081) 11.701 4.508 ( 8.760 -8.237 -9.031) 15.038 4.934 ( -10.655 7.895 2.216) 13.445 5.093 ( -5.147 2.756 10.044) 11.618 5.483 ( -3.565 -0.152 1.557) 3.893 5.640 ( -1.231 -7.468 2.619) 8.009 6.789 ( -5.233 -1.449 5.759) 7.915 7.094 ( 7.063 2.118 2.679) 7.846 7.507 ( 1.589 5.313 -10.415) 11.800 7.744 ( 4.534 2.361 0.845) 5.181 8.326 ( 2.631 2.571 3.123) 4.826 8.733 ( -3.207 11.265 11.049) 16.102 9.208 ( -11.623 -3.461 0.883) 12.160 10.185 ( -15.297 6.344 -4.447) 17.147 10.458 ( -7.683 4.704 -3.729) 9.750 11.303 ( -16.061 -17.666 -6.302) 24.693 12.205 ( 11.808 16.116 3.534) 20.289 12.459 ( 5.833 11.198 -8.869) 15.430 12.873 ( -3.623 -1.500 -0.813) 4.005 13.799 ( 16.444 -18.375 0.237) 24.659 14.649 ( -4.005 -3.925 -1.939) 5.933 14.898 ( 5.029 2.821 0.741) 5.813 17.112 ( -32.097 3.949 11.566) 34.345 18.036 ( 3.521 -4.301 -5.938) 8.134 18.643 ( 20.539 13.554 -1.253) 24.640 19.129 ( 13.184 1.188 -0.152) 13.238 19.783 ( 10.622 -3.915 17.521) 20.860 21.772 ( -30.465 -21.206 -22.701) 43.510 23.776 ( 9.424 0.610 1.329) 9.537 24.038 ( 5.106 1.417 -3.461) 6.329 ======================= Grid point 137 (69/230) ======================= q-point: (-0.20 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -5.330 19.119 5.123) 20.499 1.961 ( -15.246 20.546 -0.394) 25.588 2.829 ( -0.852 -10.955 -3.482) 11.526 2.993 ( -10.165 0.259 2.362) 10.439 3.771 ( 7.720 -0.016 1.235) 7.818 3.986 ( -9.777 6.308 3.535) 12.160 4.108 ( 7.723 5.474 -1.438) 9.574 4.639 ( 2.589 -0.702 -10.722) 11.052 4.800 ( -2.004 0.924 5.411) 5.843 4.988 ( -6.188 4.880 8.858) 11.856 5.408 ( -4.261 -4.513 0.258) 6.212 5.551 ( -7.863 -7.879 0.573) 11.146 6.693 ( -5.481 3.925 2.358) 7.142 7.234 ( 6.177 3.810 3.068) 7.880 7.547 ( 5.408 2.208 -8.331) 10.175 7.860 ( 6.867 1.668 2.106) 7.374 8.329 ( -2.985 -0.355 -0.082) 3.007 8.662 ( -6.721 7.855 8.004) 13.074 9.096 ( 0.405 -2.364 -0.443) 2.439 9.845 ( -16.823 12.517 -1.756) 21.043 10.273 ( -12.168 1.041 1.218) 12.273 11.012 ( -12.235 -19.704 -4.327) 23.594 12.363 ( 4.467 12.876 1.484) 13.710 12.556 ( 4.248 14.935 -12.789) 20.116 12.902 ( 8.436 -1.015 0.766) 8.531 14.101 ( 14.768 -17.616 -1.629) 23.045 14.559 ( -4.572 -3.834 -2.413) 6.436 14.997 ( 5.197 1.188 -0.911) 5.408 16.516 ( -32.421 -4.269 13.881) 35.525 18.183 ( 13.160 -6.350 -6.831) 16.130 19.034 ( 20.352 12.747 2.150) 24.110 19.356 ( 10.427 2.729 0.719) 10.802 19.999 ( 6.561 -0.290 18.211) 19.359 21.066 ( -37.168 -18.970 -24.720) 48.501 23.921 ( 5.849 3.986 0.229) 7.082 24.154 ( 7.145 0.661 -3.282) 7.890 ======================= Grid point 138 (70/230) ======================= q-point: (-0.10 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -4.798 20.822 8.122) 22.859 1.804 ( 0.243 27.475 6.232) 28.174 2.800 ( -7.098 2.748 4.464) 8.824 2.856 ( 0.676 -4.147 6.650) 7.866 3.707 ( -9.937 -8.872 6.696) 14.910 3.978 ( 2.068 12.379 1.157) 12.604 4.236 ( 7.333 8.508 -7.255) 13.371 4.568 ( -4.823 4.533 -9.747) 11.782 4.766 ( -3.986 -2.697 4.708) 6.732 5.008 ( 4.201 2.053 10.404) 11.406 5.315 ( -5.362 -9.287 -4.520) 11.638 5.410 ( -4.840 -5.113 5.226) 8.769 6.610 ( -2.937 10.314 0.032) 10.724 7.333 ( 3.554 5.497 2.719) 7.088 7.674 ( 9.003 0.679 -5.500) 10.572 7.993 ( 5.071 1.268 4.429) 6.851 8.231 ( -6.195 0.376 -2.727) 6.779 8.543 ( -5.599 3.677 7.406) 9.986 9.201 ( 10.183 -1.925 -3.907) 11.075 9.605 ( -7.778 14.324 6.564) 17.571 10.004 ( -16.150 -1.200 2.938) 16.458 10.834 ( -5.391 -19.698 -1.915) 20.512 12.425 ( 2.788 12.588 -2.117) 13.066 12.548 ( -1.157 9.700 -7.645) 12.404 13.142 ( 14.307 0.276 -4.210) 14.916 14.336 ( 9.835 -17.207 -3.075) 20.056 14.472 ( -3.605 -2.961 -2.597) 5.339 15.085 ( 4.322 -0.209 -3.239) 5.405 15.969 ( -27.732 -8.894 15.465) 32.975 18.460 ( 16.051 -5.565 -10.636) 20.043 19.390 ( 11.488 7.392 -7.418) 15.546 19.554 ( 9.969 3.089 7.986) 13.141 20.053 ( -8.217 0.136 8.807) 12.046 20.353 ( -22.062 -9.643 -7.459) 25.207 24.006 ( 2.942 5.432 -0.263) 6.183 24.267 ( 4.947 0.140 -3.964) 6.341 ======================= Grid point 139 (71/230) ======================= q-point: ( 0.00 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 3.681 17.199 10.542) 20.506 2.307 ( -1.423 13.947 12.989) 19.112 2.647 ( 7.058 -11.193 8.916) 15.956 2.897 ( 7.514 -4.675 -3.608) 9.557 3.412 ( -10.780 -1.683 10.298) 15.003 4.224 ( 0.292 11.232 -1.650) 11.356 4.397 ( -3.543 -2.873 -10.475) 11.425 4.561 ( -4.609 10.413 1.981) 11.558 4.746 ( 1.094 -3.096 3.262) 4.628 5.060 ( 1.236 -5.750 -1.790) 6.147 5.151 ( 2.214 2.673 7.910) 8.638 5.261 ( 3.538 -7.500 2.958) 8.805 6.740 ( -0.570 3.883 -2.234) 4.516 7.550 ( 1.075 9.280 4.860) 10.530 7.760 ( 4.341 -8.380 3.220) 9.972 8.047 ( 1.587 2.263 1.072) 2.965 8.192 ( -3.958 2.740 -2.680) 5.509 8.622 ( 9.194 1.944 10.652) 14.204 9.378 ( 9.871 -2.579 -3.263) 10.711 9.637 ( -13.290 -0.697 0.728) 13.328 9.844 ( -0.597 9.879 6.982) 12.112 10.468 ( 4.116 -12.498 4.462) 13.894 12.613 ( 0.744 2.298 -5.458) 5.969 12.722 ( -0.799 11.043 -2.107) 11.270 13.253 ( 4.977 -5.552 -3.720) 8.332 14.121 ( 0.514 -9.057 -5.975) 10.862 14.408 ( 0.733 -1.283 -1.130) 1.861 15.143 ( 0.394 0.730 -5.785) 5.844 15.484 ( -11.119 -2.277 8.928) 14.441 18.644 ( 11.531 -0.836 -18.485) 21.803 19.129 ( -32.972 0.677 -15.616) 36.489 19.626 ( 2.853 1.732 -11.551) 12.024 20.186 ( 1.251 3.297 16.722) 17.090 20.285 ( 21.307 -5.539 20.797) 30.284 24.123 ( -0.960 3.441 -0.434) 3.599 24.270 ( -0.914 -1.942 -2.704) 3.452 ======================= Grid point 140 (72/230) ======================= q-point: ( 0.10 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 4.989 14.193 12.252) 19.402 2.327 ( 1.488 11.691 12.548) 17.215 2.846 ( 9.666 -10.309 13.442) 19.504 3.023 ( 5.702 0.869 -5.216) 7.776 3.286 ( -2.979 -6.130 5.367) 8.674 4.176 ( -8.916 1.725 -9.000) 12.785 4.292 ( 1.116 14.182 1.884) 14.350 4.536 ( 0.681 3.755 -0.586) 3.861 4.768 ( 1.222 -11.210 0.097) 11.277 5.044 ( -2.776 1.923 2.428) 4.159 5.265 ( 7.268 2.434 3.896) 8.599 5.391 ( 7.739 -7.484 4.072) 11.510 6.720 ( -0.895 3.616 -2.132) 4.292 7.493 ( -8.515 4.723 5.380) 11.125 7.832 ( 3.297 -5.422 6.032) 8.755 8.117 ( -0.572 2.482 -4.838) 5.468 8.132 ( 3.634 4.241 6.732) 8.747 8.838 ( 7.147 7.004 8.294) 12.997 9.225 ( -15.619 -5.025 1.025) 16.440 9.732 ( 14.269 -0.311 -5.796) 15.404 10.019 ( 17.015 4.361 11.142) 20.801 10.623 ( 10.463 -9.855 7.161) 16.059 12.598 ( -1.854 7.598 -5.067) 9.319 12.715 ( 1.274 4.396 -3.098) 5.527 13.270 ( -2.601 -4.657 0.165) 5.336 14.016 ( -9.683 -7.788 -6.229) 13.900 14.451 ( 3.650 -2.194 -0.592) 4.299 15.054 ( -5.530 0.752 -4.131) 6.943 15.536 ( 13.065 -0.925 -1.162) 13.149 18.493 ( -21.245 0.743 -22.178) 30.721 18.779 ( 0.091 -0.316 -3.537) 3.552 19.595 ( -3.353 2.106 -9.814) 10.582 20.092 ( -10.014 2.976 12.758) 16.490 20.907 ( 32.043 -7.326 17.566) 37.270 24.058 ( -5.716 2.869 -1.591) 6.590 24.206 ( -4.481 -1.786 -2.985) 5.673 ======================= Grid point 141 (73/230) ======================= q-point: ( 0.20 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -1.295 14.820 12.268) 19.283 2.470 ( 7.995 5.274 9.353) 13.387 3.020 ( 4.113 -6.403 11.246) 13.579 3.077 ( 1.851 -0.884 -1.593) 2.598 3.358 ( 9.690 -7.975 -6.010) 13.914 3.946 ( -11.295 0.020 -5.105) 12.395 4.394 ( 6.907 20.130 7.105) 22.437 4.547 ( 0.439 0.216 -6.172) 6.191 4.801 ( 2.390 -15.154 0.251) 15.343 4.974 ( -4.764 2.801 -0.964) 5.610 5.413 ( 6.810 5.106 4.065) 9.433 5.542 ( 6.236 -7.437 5.201) 11.011 6.704 ( 0.014 3.735 -0.933) 3.850 7.299 ( -11.625 0.319 4.794) 12.579 7.902 ( 0.869 -2.266 6.354) 6.802 8.057 ( -4.383 2.615 4.818) 7.019 8.254 ( 5.837 5.412 0.281) 7.965 8.898 ( -0.686 9.191 3.990) 10.043 9.018 ( -3.984 -4.369 -0.459) 5.930 9.954 ( 9.495 -2.509 -5.997) 11.507 10.486 ( 25.537 2.768 16.056) 30.292 10.882 ( 14.163 -8.441 5.815) 17.483 12.516 ( -5.415 13.040 -4.705) 14.883 12.736 ( 0.777 -4.303 -2.721) 5.151 13.188 ( -5.263 1.088 4.433) 6.966 13.736 ( -17.524 -8.563 -5.834) 20.359 14.531 ( 4.466 -2.052 -0.351) 4.927 14.963 ( -3.333 0.938 -3.447) 4.886 15.914 ( 27.104 -0.041 -9.795) 28.819 18.162 ( -8.567 -0.564 -10.434) 13.512 18.726 ( -4.808 0.440 -6.473) 8.075 19.465 ( -7.483 1.222 -6.514) 9.996 19.886 ( -14.497 3.783 11.528) 18.904 21.523 ( 28.302 -8.822 11.320) 31.733 23.894 ( -10.909 1.368 -3.355) 11.495 24.112 ( -4.151 -0.867 -2.554) 4.950 ======================= Grid point 142 (74/230) ======================= q-point: ( 0.30 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -1.234 11.587 9.374) 14.955 2.643 ( 7.402 -2.098 7.515) 10.755 3.057 ( -0.836 0.125 2.684) 2.814 3.099 ( 0.416 -3.364 -0.776) 3.477 3.562 ( 12.225 -5.709 -12.270) 18.237 3.755 ( -7.649 0.938 0.715) 7.739 4.498 ( -3.377 0.312 -11.514) 12.003 4.567 ( 8.443 16.397 5.794) 19.332 4.828 ( -3.399 -5.177 -8.991) 10.917 4.899 ( 1.296 -8.292 10.290) 13.279 5.533 ( 4.284 5.566 5.489) 8.914 5.635 ( 1.710 -5.529 6.185) 8.470 6.733 ( 3.419 4.689 0.354) 5.814 7.109 ( -8.835 -1.395 4.716) 10.112 7.840 ( -8.376 -3.334 1.872) 9.208 7.970 ( -5.971 2.178 6.382) 9.007 8.346 ( 4.034 8.501 -0.852) 9.448 8.922 ( 0.979 10.054 4.177) 10.931 9.080 ( 11.368 -4.806 1.544) 12.438 10.060 ( 3.208 -3.773 -5.149) 7.144 10.973 ( 19.289 5.880 13.614) 24.331 11.157 ( 13.758 -9.495 1.033) 16.748 12.365 ( -9.491 13.272 -2.833) 16.561 12.728 ( -0.618 -7.758 1.702) 7.966 13.107 ( -6.187 9.118 3.228) 11.482 13.366 ( -17.145 -13.217 -4.343) 22.080 14.608 ( 3.501 -1.163 -0.364) 3.707 14.898 ( -2.876 0.704 -2.426) 3.828 16.494 ( 35.748 1.518 -15.064) 38.822 18.103 ( 3.420 -1.534 -4.051) 5.519 18.573 ( -9.288 1.360 -6.310) 11.311 19.309 ( -7.247 -0.287 -0.886) 7.307 19.592 ( -19.055 4.009 10.247) 22.004 22.037 ( 23.323 -9.098 6.071) 25.761 23.629 ( -15.345 -0.144 -5.191) 16.200 24.046 ( -2.115 -0.074 -2.233) 3.076 ======================= Grid point 143 (75/230) ======================= q-point: ( 0.40 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -1.459 3.704 5.130) 6.493 2.739 ( -0.761 -6.235 7.400) 9.706 3.060 ( 3.794 6.138 -3.636) 8.081 3.109 ( 1.145 -3.024 -1.688) 3.647 3.601 ( -6.802 4.879 2.195) 8.654 3.762 ( 8.185 -5.730 -15.646) 18.564 4.377 ( -4.915 2.909 -15.146) 16.187 4.595 ( -5.036 -1.862 -19.502) 20.227 4.840 ( 7.565 5.975 14.320) 17.262 5.014 ( 5.745 -8.729 14.410) 17.800 5.582 ( -1.956 1.704 7.235) 7.686 5.645 ( -0.852 -0.095 6.526) 6.582 6.833 ( 6.086 6.691 1.223) 9.127 6.997 ( -3.829 -2.154 4.596) 6.358 7.643 ( -10.537 -4.722 -1.815) 11.689 7.869 ( -5.820 1.774 5.116) 7.950 8.403 ( 2.293 9.502 -2.561) 10.104 8.941 ( 0.242 9.542 5.171) 10.856 9.390 ( 16.257 -5.256 5.851) 18.060 10.075 ( 0.604 -2.698 -2.969) 4.057 11.182 ( 2.385 3.968 -6.763) 8.196 11.456 ( 14.850 -4.722 6.397) 16.845 12.154 ( -11.432 9.801 0.627) 15.071 12.740 ( -2.658 -1.215 10.913) 11.297 12.859 ( -12.133 -4.641 -6.013) 14.314 13.200 ( -2.796 -4.881 -0.993) 5.712 14.658 ( 1.817 -0.561 -0.497) 1.966 14.846 ( -1.860 0.530 -1.225) 2.289 17.169 ( 37.905 4.341 -16.255) 41.471 18.227 ( 7.253 -0.990 -4.016) 8.350 18.372 ( -7.683 1.206 -2.046) 8.042 19.142 ( -20.261 1.377 14.738) 25.092 19.268 ( -7.489 0.165 -0.253) 7.495 22.426 ( 14.997 -9.109 -0.237) 17.548 23.319 ( -13.687 -0.906 -4.569) 14.458 24.015 ( -0.733 0.325 -2.526) 2.650 ======================= Grid point 144 (76/230) ======================= q-point: (-0.50 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -3.791 -2.986 1.633) 5.095 2.683 ( -4.225 -0.538 3.220) 5.339 3.116 ( -0.399 -2.121 -0.325) 2.183 3.194 ( 8.643 2.975 -6.275) 11.087 3.439 ( -9.879 7.269 1.461) 12.352 3.808 ( 0.694 -6.940 -17.206) 18.566 4.284 ( -0.145 7.387 -15.019) 16.739 4.467 ( -2.174 -8.169 -18.257) 20.119 5.033 ( 7.293 5.216 16.361) 18.657 5.161 ( 5.267 -6.546 14.368) 16.644 5.496 ( -7.076 -0.522 5.867) 9.207 5.649 ( -1.211 2.615 7.122) 7.683 6.919 ( 1.661 5.614 4.520) 7.396 6.975 ( -0.946 -0.261 2.337) 2.535 7.493 ( -2.700 -5.315 -4.347) 7.378 7.782 ( -3.941 1.527 2.655) 4.991 8.425 ( 0.939 9.058 -3.797) 9.866 8.956 ( -0.395 8.455 7.477) 11.294 9.557 ( -3.044 -6.847 5.565) 9.334 10.152 ( 8.350 0.038 3.076) 8.899 11.094 ( -7.375 5.050 -17.850) 19.963 11.613 ( -4.051 -6.023 0.806) 7.303 12.030 ( 2.226 9.010 5.991) 11.047 12.545 ( -8.381 0.775 0.178) 8.419 12.903 ( 7.245 -7.238 6.298) 12.023 13.141 ( -3.110 -3.246 -3.669) 5.803 14.675 ( -0.027 -1.246 -0.558) 1.365 14.831 ( 0.703 1.335 -0.305) 1.539 17.832 ( 33.946 8.675 -13.446) 37.529 18.106 ( -9.634 3.021 -9.466) 13.840 18.514 ( 13.078 -2.493 6.210) 14.690 18.648 ( -30.557 -0.032 12.192) 32.900 19.275 ( 4.333 -2.436 6.113) 7.879 22.458 ( -12.116 -8.858 -12.243) 19.369 23.246 ( 8.331 -1.188 2.733) 8.848 24.002 ( 0.096 0.505 -3.091) 3.134 ======================= Grid point 145 (77/230) ======================= q-point: (-0.40 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -4.711 -0.993 0.702) 4.866 2.628 ( -2.310 0.997 0.962) 2.693 3.018 ( -10.405 4.516 -7.737) 13.730 3.166 ( -8.666 -5.912 -5.795) 11.985 3.445 ( 10.433 8.807 -0.005) 13.653 3.779 ( 1.726 -9.352 -8.770) 12.936 4.304 ( 5.354 4.716 -13.192) 14.998 4.410 ( -1.434 -3.641 -11.273) 11.933 5.157 ( -0.280 3.222 19.265) 19.535 5.224 ( -2.322 2.287 6.831) 7.568 5.409 ( -1.258 -5.936 0.729) 6.111 5.621 ( -3.714 1.498 7.981) 8.929 6.884 ( -6.197 1.798 3.384) 7.286 6.993 ( 3.775 0.326 4.442) 5.839 7.522 ( 5.037 -1.694 -6.454) 8.360 7.739 ( -0.810 1.244 0.392) 1.535 8.424 ( -0.040 7.018 -3.872) 8.015 8.953 ( -2.029 7.099 8.010) 10.894 9.373 ( -14.392 -5.364 5.833) 16.429 10.303 ( 3.524 -0.349 6.439) 7.348 10.865 ( -11.018 8.058 -18.329) 22.854 11.349 ( -19.388 -10.410 -1.477) 22.055 12.226 ( 13.071 9.326 5.640) 17.019 12.504 ( 3.763 2.784 -3.644) 5.932 12.981 ( -3.655 2.843 -3.294) 5.683 13.172 ( 10.765 -13.678 2.995) 17.662 14.652 ( -2.209 -1.779 -0.704) 2.922 14.871 ( 3.308 1.801 -0.048) 3.767 17.852 ( -24.203 10.510 4.516) 26.770 18.029 ( -15.504 -6.107 -1.489) 16.730 18.477 ( 25.534 9.327 -9.824) 28.904 18.803 ( 14.832 -4.587 5.484) 16.465 19.441 ( 10.463 -3.068 12.173) 16.342 22.042 ( -24.697 -8.281 -17.144) 31.184 23.510 ( 15.160 -1.018 3.460) 15.583 24.008 ( 1.490 0.527 -3.356) 3.710 ======================= Grid point 146 (78/230) ======================= q-point: (-0.30 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -1.873 6.046 2.168) 6.690 2.568 ( -5.697 7.327 1.204) 9.359 2.755 ( -11.426 2.765 -9.827) 15.322 2.979 ( -9.067 -12.611 -7.296) 17.160 3.668 ( 10.988 8.600 0.087) 13.954 3.867 ( 8.360 -9.498 1.749) 12.773 4.319 ( -5.542 3.842 -2.385) 7.153 4.413 ( 8.112 -1.723 -13.173) 15.566 5.067 ( -9.326 4.094 9.600) 13.997 5.197 ( -3.497 7.576 6.700) 10.702 5.383 ( -3.200 -9.162 -3.158) 10.206 5.544 ( -6.399 -1.398 8.587) 10.800 6.789 ( -3.603 0.522 2.339) 4.327 7.116 ( 7.611 0.393 5.398) 9.339 7.586 ( 2.617 1.932 -7.294) 7.986 7.761 ( 3.246 -0.007 -0.781) 3.338 8.402 ( -1.509 3.473 -3.568) 5.203 8.905 ( -5.150 5.313 6.425) 9.800 9.131 ( -10.368 -3.357 5.703) 12.300 10.290 ( -5.725 2.825 3.847) 7.454 10.602 ( -13.228 10.024 -9.632) 19.190 10.947 ( -20.692 -16.057 -2.200) 26.284 12.481 ( 10.731 10.420 3.674) 15.402 12.634 ( 10.601 2.516 -4.736) 11.880 12.865 ( -5.567 2.748 -7.127) 9.452 13.455 ( 16.693 -13.201 1.144) 21.313 14.591 ( -3.829 -1.578 -1.043) 4.271 14.945 ( 4.175 1.415 -0.375) 4.424 17.190 ( -39.949 2.816 12.593) 41.981 17.940 ( 3.319 -3.471 -8.655) 9.898 18.915 ( 20.321 12.170 -3.834) 23.995 19.098 ( 14.946 -4.878 0.918) 15.749 19.715 ( 13.670 -2.285 17.155) 22.054 21.474 ( -30.082 -7.893 -19.529) 36.723 23.786 ( 12.479 0.312 2.280) 12.690 24.052 ( 4.033 0.194 -2.919) 4.982 ======================= Grid point 147 (79/230) ======================= q-point: (-0.20 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -0.118 12.144 4.701) 13.023 2.400 ( -9.076 21.774 1.535) 23.640 2.607 ( -3.909 -9.573 -3.851) 11.034 2.822 ( -4.795 -15.494 -4.950) 16.957 3.764 ( -3.451 0.405 7.069) 7.877 4.099 ( 13.767 1.721 1.027) 13.912 4.230 ( -1.138 6.482 -0.088) 6.581 4.542 ( 7.787 -5.067 -10.692) 14.165 4.905 ( -9.419 5.428 6.776) 12.810 5.116 ( -5.494 6.971 5.521) 10.453 5.268 ( -6.748 -7.984 -6.380) 12.247 5.418 ( -8.575 -4.694 7.558) 12.357 6.757 ( -0.615 1.879 0.904) 2.173 7.296 ( 9.347 1.899 5.327) 10.925 7.599 ( 1.371 2.022 -5.582) 6.094 7.853 ( 6.368 -1.217 -0.524) 6.504 8.344 ( -3.620 1.159 -3.189) 4.961 8.776 ( -9.626 3.207 3.997) 10.905 9.049 ( 0.941 -1.795 2.662) 3.346 10.125 ( -11.720 12.374 2.674) 17.252 10.308 ( -16.042 4.770 0.286) 16.738 10.609 ( -12.957 -19.561 -2.770) 23.627 12.615 ( 3.247 10.980 -1.194) 11.512 12.761 ( -2.832 1.511 -4.298) 5.364 12.874 ( 13.819 1.154 -4.788) 14.671 13.776 ( 16.169 -11.548 -2.843) 20.072 14.508 ( -4.279 -1.293 -1.338) 4.666 15.023 ( 4.083 0.881 -1.170) 4.338 16.472 ( -37.198 -0.733 12.378) 39.211 18.085 ( 13.776 -2.809 -9.856) 17.170 19.251 ( 15.823 8.397 2.593) 18.100 19.363 ( 12.750 -2.287 -2.681) 13.228 19.998 ( 10.309 0.085 18.480) 21.161 20.803 ( -34.981 -6.989 -19.752) 40.776 23.986 ( 7.979 2.112 1.160) 8.335 24.145 ( 6.008 -0.789 -2.107) 6.415 ======================= Grid point 148 (80/230) ======================= q-point: (-0.10 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -1.558 16.251 6.782) 17.678 2.312 ( -2.178 20.980 8.948) 22.913 2.563 ( 0.201 -12.202 2.524) 12.462 2.794 ( 2.989 -11.811 -3.206) 12.598 3.613 ( -12.059 -0.920 10.420) 15.964 4.219 ( 1.109 9.088 -0.717) 9.183 4.358 ( 8.943 2.867 -3.714) 10.099 4.635 ( 2.872 0.154 -9.129) 9.572 4.752 ( -7.154 3.363 9.995) 12.743 5.056 ( -1.712 -1.088 4.431) 4.873 5.144 ( -3.009 -2.943 -5.274) 6.747 5.283 ( -6.157 -6.492 6.484) 11.050 6.751 ( -0.240 3.511 -1.011) 3.662 7.466 ( 6.306 6.701 4.569) 10.273 7.650 ( 5.296 -3.428 -1.263) 6.433 7.985 ( 6.171 -0.552 0.891) 6.260 8.264 ( -3.406 1.651 -3.027) 4.847 8.594 ( -8.086 1.382 5.343) 9.789 9.162 ( 9.983 -1.452 -1.796) 10.247 9.901 ( -11.795 11.178 4.866) 16.963 10.000 ( -15.920 3.040 3.131) 16.508 10.452 ( -3.381 -16.522 0.291) 16.867 12.622 ( -0.264 4.500 -5.565) 7.162 12.735 ( -0.119 9.277 -1.400) 9.382 13.106 ( 11.017 -3.334 -4.654) 12.415 14.027 ( 10.271 -10.181 -5.044) 15.317 14.433 ( -2.817 -1.003 -1.453) 3.325 15.095 ( 3.963 0.522 -2.765) 4.860 15.864 ( -28.594 -2.339 11.360) 30.857 18.381 ( 18.320 -2.097 -13.504) 22.855 19.512 ( 8.895 4.555 -9.855) 14.036 19.577 ( 7.377 -0.687 2.189) 7.725 20.070 ( -20.287 1.328 0.669) 20.342 20.208 ( -3.419 -4.611 10.712) 12.153 24.098 ( 3.568 3.242 0.363) 4.835 24.244 ( 4.071 -1.597 -2.047) 4.829 ======================= Grid point 189 (81/230) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -8.041 0.000 26.383) 27.581 1.245 ( 7.118 0.000 27.702) 28.602 2.385 ( 7.690 0.000 51.437) 52.009 3.450 ( -3.759 0.000 -6.637) 7.627 3.506 ( 4.945 0.000 -11.399) 12.425 3.679 ( 13.268 0.000 11.237) 17.387 4.117 ( -5.211 0.000 1.905) 5.548 4.301 ( -3.027 0.000 -9.499) 9.970 4.838 ( -12.229 0.000 8.374) 14.821 5.334 ( 4.706 0.000 10.651) 11.645 5.423 ( 2.723 0.000 -0.605) 2.789 5.525 ( 9.276 0.000 4.197) 10.181 6.103 ( -6.717 0.000 9.271) 11.449 7.244 ( -2.156 0.000 4.086) 4.620 7.345 ( 4.959 0.000 -13.709) 14.579 7.985 ( -5.458 0.000 -2.336) 5.937 7.999 ( -4.246 0.000 9.920) 10.790 8.636 ( 1.462 0.000 17.703) 17.763 9.180 ( 13.077 0.000 -10.751) 16.928 9.982 ( -11.037 0.000 4.751) 12.016 10.182 ( 33.330 0.000 0.882) 33.342 10.777 ( -2.385 0.000 -12.193) 12.424 11.785 ( 5.208 0.000 -7.183) 8.873 11.823 ( 1.329 0.000 -11.139) 11.218 13.624 ( 17.770 0.000 5.409) 18.575 14.499 ( -1.383 0.000 -4.869) 5.062 14.733 ( -1.261 0.000 1.566) 2.010 15.105 ( 4.556 0.000 -13.829) 14.561 17.809 (-102.833 0.000 0.568) 102.835 17.945 ( 15.151 0.000 1.681) 15.244 18.953 ( -0.122 0.000 2.772) 2.775 19.164 ( -0.234 0.000 -0.883) 0.914 20.236 ( -15.799 0.000 11.712) 19.667 21.542 ( 78.161 0.000 -7.540) 78.524 23.346 ( 2.650 0.000 2.682) 3.770 23.733 ( 0.359 0.000 -3.081) 3.102 ======================= Grid point 190 (82/230) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 8.211 0.000 24.410) 25.754 1.531 ( 15.072 0.000 22.154) 26.794 2.790 ( 20.804 0.000 47.942) 52.262 3.387 ( -1.715 0.000 -6.809) 7.022 3.547 ( 2.571 0.000 -13.807) 14.045 3.912 ( 3.590 0.000 -1.923) 4.072 4.084 ( 4.486 0.000 18.878) 19.404 4.243 ( -0.302 0.000 -7.317) 7.323 4.620 ( -11.637 0.000 7.306) 13.740 5.373 ( -4.010 0.000 -0.856) 4.100 5.450 ( 4.495 0.000 8.469) 9.587 5.833 ( 15.582 0.000 -7.894) 17.468 6.081 ( 0.523 0.000 7.214) 7.233 7.192 ( -4.149 0.000 5.533) 6.916 7.413 ( 5.190 0.000 -12.244) 13.299 7.879 ( -4.861 0.000 -3.172) 5.805 7.921 ( -5.296 0.000 6.103) 8.080 8.700 ( -0.083 0.000 23.147) 23.147 9.370 ( 5.847 0.000 -7.628) 9.612 9.807 ( -4.587 0.000 0.898) 4.674 10.728 ( 0.729 0.000 -14.131) 14.149 10.820 ( 32.039 0.000 -12.372) 34.345 11.742 ( -6.670 0.000 -11.967) 13.700 11.948 ( 13.100 0.000 -5.035) 14.035 13.902 ( 4.629 0.000 2.831) 5.426 14.451 ( -2.495 0.000 -9.167) 9.500 14.657 ( -7.477 0.000 0.614) 7.502 15.133 ( 1.498 0.000 -8.400) 8.533 16.281 ( -51.198 0.000 28.684) 58.686 18.240 ( 13.664 0.000 9.719) 16.768 18.900 ( -5.677 0.000 2.092) 6.050 19.127 ( -3.427 0.000 -0.913) 3.546 19.899 ( -20.691 0.000 4.478) 21.170 22.717 ( 46.611 0.000 -28.865) 54.825 23.436 ( 5.633 0.000 3.082) 6.421 23.726 ( -0.369 0.000 -3.915) 3.933 ======================= Grid point 191 (83/230) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 18.390 0.000 19.764) 26.996 1.889 ( 17.025 0.000 17.854) 24.670 3.290 ( 2.987 0.000 9.500) 9.958 3.379 ( 17.789 0.000 22.334) 28.553 3.530 ( -1.021 0.000 -14.480) 14.516 3.864 ( -3.692 0.000 -5.301) 6.460 4.181 ( -7.948 0.000 17.971) 19.650 4.271 ( 5.594 0.000 -8.344) 10.046 4.568 ( 9.014 0.000 9.911) 13.397 5.292 ( -3.945 0.000 -3.004) 4.958 5.533 ( 2.148 0.000 6.180) 6.543 5.996 ( 3.591 0.000 -10.797) 11.379 6.119 ( 1.702 0.000 3.715) 4.086 7.133 ( -3.051 0.000 8.593) 9.119 7.462 ( 1.987 0.000 -10.339) 10.528 7.788 ( -3.939 0.000 -2.616) 4.728 7.843 ( -3.952 0.000 5.369) 6.666 8.741 ( -1.891 0.000 27.110) 27.176 9.319 ( -5.761 0.000 -1.613) 5.982 9.883 ( 9.874 0.000 -5.704) 11.403 10.735 ( 3.553 0.000 -15.146) 15.557 11.306 ( 21.468 0.000 -11.763) 24.479 11.531 ( -11.315 0.000 -13.019) 17.249 12.249 ( 19.275 0.000 -4.962) 19.904 13.677 ( -26.324 0.000 24.307) 35.830 14.329 ( -8.068 0.000 -14.208) 16.339 14.572 ( 0.141 0.000 -2.923) 2.926 15.138 ( 0.598 0.000 -1.704) 1.806 15.965 ( 3.894 0.000 11.502) 12.143 18.452 ( 1.514 0.000 18.050) 18.113 18.784 ( -4.656 0.000 0.952) 4.752 19.040 ( -5.084 0.000 -1.016) 5.185 19.517 ( -17.242 0.000 -2.351) 17.402 23.248 ( 18.931 0.000 -28.172) 33.942 23.561 ( 6.457 0.000 2.453) 6.907 23.698 ( -1.305 0.000 -4.788) 4.963 ======================= Grid point 192 (84/230) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 22.124 0.000 16.089) 27.356 2.262 ( 17.874 0.000 15.179) 23.450 3.161 ( -10.089 0.000 -0.694) 10.113 3.443 ( -4.476 0.000 -12.809) 13.569 3.742 ( -10.011 0.000 -0.573) 10.027 3.867 ( 18.328 0.000 18.232) 25.852 4.000 ( -9.069 0.000 5.044) 10.377 4.434 ( 13.956 0.000 -7.214) 15.710 4.868 ( 15.891 0.000 13.137) 20.618 5.206 ( -4.076 0.000 -4.587) 6.137 5.557 ( -0.788 0.000 3.621) 3.706 5.915 ( -9.595 0.000 -5.061) 10.848 6.181 ( 5.085 0.000 -2.251) 5.561 7.135 ( 0.778 0.000 11.978) 12.004 7.416 ( -4.796 0.000 -7.552) 8.946 7.716 ( -2.958 0.000 -0.866) 3.082 7.803 ( -1.724 0.000 6.922) 7.134 8.759 ( -3.274 0.000 29.934) 30.112 9.273 ( 2.535 0.000 -3.022) 3.945 10.053 ( 8.189 0.000 -4.309) 9.254 10.785 ( 5.265 0.000 -16.025) 16.867 11.238 ( -14.450 0.000 -11.521) 18.481 11.611 ( 11.410 0.000 -9.888) 15.098 12.644 ( 23.115 0.000 -6.999) 24.151 13.275 ( -19.220 0.000 26.919) 33.077 14.062 ( -15.966 0.000 -16.364) 22.862 14.582 ( 0.489 0.000 -0.449) 0.664 15.148 ( 0.118 0.000 2.342) 2.345 16.207 ( 16.344 0.000 0.774) 16.362 18.322 ( -14.871 0.000 8.646) 17.202 18.690 ( -10.973 0.000 8.349) 13.788 18.942 ( -4.565 0.000 -1.365) 4.765 19.372 ( 4.711 0.000 -0.075) 4.712 23.382 ( 2.863 0.000 -23.477) 23.651 23.676 ( 0.944 0.000 -6.683) 6.749 23.679 ( 4.986 0.000 1.239) 5.137 ======================= Grid point 193 (85/230) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 21.999 0.000 13.139) 25.624 2.627 ( 14.204 0.000 14.236) 20.110 2.946 ( -9.747 0.000 0.561) 9.763 3.303 ( -8.446 0.000 -3.736) 9.236 3.477 ( -15.284 0.000 -1.395) 15.348 3.902 ( -2.571 0.000 -3.210) 4.112 4.079 ( 1.902 0.000 -2.815) 3.397 4.737 ( 15.815 0.000 -5.208) 16.650 5.142 ( -0.114 0.000 -1.309) 1.314 5.180 ( 12.675 0.000 10.978) 16.769 5.526 ( -2.689 0.000 1.641) 3.150 5.646 ( -16.631 0.000 0.636) 16.643 6.309 ( 9.059 0.000 -3.170) 9.598 7.212 ( 3.713 0.000 13.886) 14.374 7.261 ( -8.550 0.000 -6.353) 10.652 7.684 ( -0.229 0.000 2.110) 2.123 7.810 ( 0.375 0.000 9.434) 9.441 8.762 ( -3.986 0.000 31.596) 31.847 9.379 ( 8.082 0.000 -5.871) 9.989 10.166 ( 4.456 0.000 -0.915) 4.549 10.852 ( 5.602 0.000 -16.175) 17.118 10.919 ( -15.787 0.000 -13.156) 20.550 11.707 ( 0.965 0.000 -5.363) 5.450 13.072 ( 22.536 0.000 -12.752) 25.893 13.089 ( -6.845 0.000 20.230) 21.356 13.668 ( -19.867 0.000 -12.634) 23.544 14.587 ( 0.025 0.000 2.881) 2.881 15.141 ( -1.746 0.000 3.119) 3.575 16.533 ( 17.274 0.000 -0.280) 17.276 18.021 ( -16.674 0.000 0.173) 16.675 18.458 ( -11.896 0.000 5.340) 13.040 18.869 ( -2.392 0.000 -1.893) 3.050 19.593 ( 13.714 0.000 11.239) 17.731 23.301 ( -4.460 0.000 -22.207) 22.651 23.691 ( 1.901 0.000 -7.762) 7.991 23.746 ( 1.672 0.000 -0.127) 1.677 ======================= Grid point 194 (86/230) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -17.221 0.000 7.558) 18.806 2.846 ( 15.296 0.000 5.378) 16.214 3.042 ( -19.954 0.000 18.537) 27.236 3.104 ( 18.448 0.000 6.602) 19.593 3.281 ( -1.255 0.000 -14.036) 14.092 3.857 ( -1.244 0.000 -4.753) 4.913 3.944 ( -13.472 0.000 -11.914) 17.985 4.862 ( -2.402 0.000 -9.586) 9.883 5.229 ( 4.097 0.000 -0.731) 4.161 5.342 ( 0.181 0.000 6.231) 6.233 5.383 ( -5.568 0.000 9.489) 11.002 5.505 ( 1.429 0.000 3.459) 3.743 6.504 ( 11.585 0.000 -2.156) 11.784 7.107 ( -4.904 0.000 -7.019) 8.562 7.329 ( 4.618 0.000 14.154) 14.888 7.719 ( 3.048 0.000 3.666) 4.767 7.855 ( 1.431 0.000 11.163) 11.254 8.759 ( -4.206 0.000 31.501) 31.780 9.483 ( 2.864 0.000 -7.558) 8.083 10.235 ( 3.170 0.000 1.645) 3.571 10.572 ( -17.256 0.000 -13.719) 22.045 10.916 ( 4.868 0.000 -14.820) 15.599 11.657 ( -3.900 0.000 -4.078) 5.642 13.064 ( -1.326 0.000 14.886) 14.945 13.092 ( -19.264 0.000 -22.288) 29.460 13.608 ( 19.231 0.000 -3.689) 19.582 14.605 ( 0.936 0.000 5.094) 5.180 15.094 ( -3.726 0.000 2.184) 4.319 16.863 ( 17.007 0.000 3.675) 17.399 17.717 ( -13.683 0.000 -6.205) 15.024 18.321 ( -3.010 0.000 4.172) 5.144 18.848 ( 0.756 0.000 -2.073) 2.206 19.889 ( 12.880 0.000 18.163) 22.266 23.122 ( -8.269 0.000 -26.970) 28.209 23.706 ( 1.435 0.000 -5.991) 6.161 23.737 ( -2.378 0.000 -1.286) 2.703 ======================= Grid point 195 (87/230) ======================= q-point: (-0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -21.036 0.000 6.144) 21.915 2.637 ( -23.924 0.000 16.879) 29.279 3.014 ( 2.056 0.000 -6.283) 6.611 3.380 ( 9.951 0.000 -1.660) 10.089 3.461 ( 13.266 0.000 8.605) 15.813 3.557 ( -20.630 0.000 -9.955) 22.906 3.851 ( 2.536 0.000 -1.054) 2.747 4.634 ( -15.780 0.000 -7.475) 17.461 5.247 ( 2.821 0.000 1.915) 3.409 5.280 ( -5.589 0.000 3.737) 6.723 5.486 ( 6.113 0.000 4.288) 7.467 5.530 ( -1.998 0.000 6.199) 6.513 6.720 ( 10.751 0.000 -0.900) 10.789 7.062 ( 2.237 0.000 -9.532) 9.791 7.439 ( 3.126 0.000 12.507) 12.892 7.814 ( 5.976 0.000 3.051) 6.710 7.903 ( 0.543 0.000 10.369) 10.384 8.748 ( -4.580 0.000 28.373) 28.740 9.422 ( -7.246 0.000 -6.602) 9.803 10.197 ( -18.784 0.000 -10.638) 21.587 10.298 ( 2.528 0.000 1.312) 2.848 10.962 ( 3.148 0.000 -12.019) 12.425 11.575 ( -2.664 0.000 -5.507) 6.117 12.636 ( -21.202 0.000 -16.978) 27.162 13.085 ( -0.215 0.000 13.274) 13.275 13.995 ( 20.632 0.000 -8.489) 22.310 14.645 ( 1.729 0.000 6.001) 6.245 15.017 ( -4.385 0.000 0.018) 4.385 17.215 ( 18.682 0.000 10.651) 21.505 17.492 ( -7.293 0.000 -10.027) 12.399 18.361 ( 5.754 0.000 3.389) 6.678 18.891 ( 4.264 0.000 -1.269) 4.449 20.155 ( 9.703 0.000 22.188) 24.217 22.843 ( -13.796 0.000 -35.593) 38.173 23.654 ( -5.685 0.000 -1.893) 5.992 23.719 ( 1.126 0.000 -3.872) 4.032 ======================= Grid point 196 (88/230) ======================= q-point: (-0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -22.578 0.000 6.143) 23.399 2.205 ( -25.484 0.000 18.932) 31.747 3.040 ( -28.038 0.000 8.274) 29.233 3.043 ( 3.687 0.000 -4.546) 5.854 3.488 ( 2.398 0.000 -8.551) 8.881 3.720 ( 6.455 0.000 3.996) 7.592 3.981 ( 9.086 0.000 6.668) 11.270 4.351 ( -9.054 0.000 -9.133) 12.860 5.182 ( -5.301 0.000 4.412) 6.897 5.333 ( 4.728 0.000 3.215) 5.718 5.453 ( -7.283 0.000 8.413) 11.127 5.558 ( 0.629 0.000 1.090) 1.258 6.886 ( 5.983 0.000 -0.244) 5.988 7.124 ( 6.169 0.000 -12.813) 14.221 7.473 ( -3.358 0.000 5.443) 6.396 7.917 ( -1.122 0.000 9.062) 9.131 7.952 ( 7.518 0.000 1.116) 7.600 8.710 ( -5.770 0.000 21.348) 22.114 9.213 ( -11.790 0.000 -5.208) 12.889 9.828 ( -17.264 0.000 -0.172) 17.265 10.319 ( -0.830 0.000 0.332) 0.894 10.973 ( 0.476 0.000 -9.049) 9.062 11.552 ( 2.158 0.000 -6.827) 7.160 12.235 ( -16.458 0.000 -14.303) 21.805 13.119 ( 0.517 0.000 13.894) 13.904 14.325 ( 15.469 0.000 -8.612) 17.705 14.691 ( 1.449 0.000 5.763) 5.942 14.941 ( -2.413 0.000 -4.470) 5.080 17.405 ( 0.919 0.000 -10.593) 10.633 17.662 ( 25.603 0.000 19.524) 32.198 18.530 ( 10.300 0.000 2.404) 10.577 19.001 ( 7.066 0.000 0.759) 7.107 20.356 ( 5.337 0.000 23.767) 24.359 22.388 ( -25.032 0.000 -46.856) 53.123 23.525 ( -6.923 0.000 -1.665) 7.120 23.729 ( 0.723 0.000 -2.687) 2.783 ======================= Grid point 197 (89/230) ======================= q-point: (-0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -19.422 0.000 12.058) 22.861 1.767 ( -24.835 0.000 21.001) 32.524 2.568 ( -24.241 0.000 26.907) 36.216 3.152 ( 8.165 0.000 2.109) 8.433 3.487 ( 1.132 0.000 -11.262) 11.319 3.699 ( -6.954 0.000 0.226) 6.957 4.149 ( 5.359 0.000 6.090) 8.112 4.297 ( 3.816 0.000 -9.647) 10.374 5.110 ( -3.404 0.000 4.792) 5.878 5.318 ( -8.494 0.000 11.878) 14.602 5.428 ( 4.050 0.000 4.077) 5.747 5.516 ( -4.919 0.000 -0.874) 4.996 6.863 ( -12.627 0.000 -5.455) 13.755 7.213 ( 6.216 0.000 -14.984) 16.222 7.322 ( -8.697 0.000 -2.029) 8.930 7.943 ( 1.483 0.000 13.983) 14.061 8.077 ( 4.259 0.000 -0.398) 4.278 8.633 ( -6.037 0.000 14.268) 15.493 9.010 ( -6.159 0.000 -6.197) 8.737 9.600 ( -6.691 0.000 14.707) 16.157 10.268 ( -4.553 0.000 1.235) 4.718 10.937 ( -2.085 0.000 -7.684) 7.962 11.626 ( 6.967 0.000 -7.407) 10.168 11.946 ( -10.336 0.000 -12.543) 16.253 13.182 ( 2.929 0.000 15.048) 15.331 14.514 ( 5.279 0.000 -3.802) 6.506 14.723 ( 0.558 0.000 4.684) 4.717 14.933 ( 4.313 0.000 -12.740) 13.450 17.474 ( 8.426 0.000 -8.319) 11.841 18.334 ( 39.428 0.000 24.098) 46.209 18.734 ( 9.821 0.000 1.852) 9.994 19.167 ( 10.490 0.000 5.815) 11.994 20.460 ( -0.508 0.000 22.495) 22.501 21.585 ( -48.466 0.000 -56.416) 74.375 23.400 ( -5.418 0.000 -0.510) 5.442 23.733 ( 0.347 0.000 -2.400) 2.425 ======================= Grid point 198 (90/230) ======================= q-point: (-0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -7.410 0.000 24.535) 25.629 1.382 ( -20.152 0.000 23.900) 31.262 2.300 ( -11.032 0.000 43.313) 44.696 3.355 ( 11.216 0.000 5.723) 12.591 3.505 ( 3.981 0.000 -8.831) 9.687 3.559 ( -6.133 0.000 -4.104) 7.379 4.190 ( -1.932 0.000 2.799) 3.401 4.347 ( 2.112 0.000 -10.864) 11.067 5.026 ( -8.339 0.000 6.028) 10.289 5.250 ( -0.287 0.000 13.274) 13.277 5.390 ( -5.804 0.000 0.656) 5.841 5.491 ( 1.091 0.000 3.647) 3.807 6.395 ( -25.990 0.000 0.387) 25.993 7.257 ( -0.673 0.000 3.016) 3.090 7.285 ( 5.148 0.000 -15.081) 15.935 8.009 ( 0.386 0.000 14.945) 14.950 8.082 ( -3.311 0.000 -0.925) 3.437 8.588 ( -1.266 0.000 12.890) 12.952 8.998 ( 6.811 0.000 -9.311) 11.536 9.691 ( 13.259 0.000 17.020) 21.575 10.155 ( -7.879 0.000 3.537) 8.636 10.862 ( -3.437 0.000 -9.097) 9.725 11.754 ( 7.421 0.000 -8.999) 11.664 11.787 ( -3.175 0.000 -10.296) 10.775 13.328 ( 9.652 0.000 13.808) 16.847 14.534 ( -1.053 0.000 -2.247) 2.481 14.736 ( -0.076 0.000 3.189) 3.190 15.023 ( 7.391 0.000 -16.244) 17.847 17.672 ( 13.298 0.000 -4.142) 13.928 18.892 ( 5.742 0.000 2.183) 6.143 18.986 ( 11.953 0.000 -1.598) 12.059 19.505 ( -5.883 0.000 -1.954) 6.199 20.430 ( -8.053 0.000 18.190) 19.893 20.438 ( -18.719 0.000 -18.339) 26.205 23.331 ( -1.642 0.000 1.233) 2.054 23.733 ( 0.309 0.000 -2.585) 2.603 ======================= Grid point 199 (91/230) ======================= q-point: ( 0.00 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 2.327 13.187 22.241) 25.961 1.431 ( 1.635 15.365 25.942) 30.195 2.491 ( 4.124 10.354 44.521) 45.895 3.456 ( -4.481 2.968 -5.891) 7.974 3.604 ( 10.960 -0.895 7.920) 13.552 3.650 ( 6.378 5.449 -6.864) 10.839 4.081 ( -5.283 -3.957 1.551) 6.780 4.240 ( -2.477 -3.771 -6.458) 7.878 4.893 ( -7.531 3.855 6.578) 10.717 5.307 ( 0.844 -3.412 8.805) 9.481 5.409 ( 3.611 -1.197 0.487) 3.835 5.554 ( 5.434 2.705 4.884) 7.791 6.169 ( -3.754 6.715 7.197) 10.534 7.261 ( -1.296 2.249 2.372) 3.516 7.416 ( 5.104 6.067 -12.178) 14.532 7.936 ( -3.029 -0.117 2.394) 3.863 8.130 ( -6.906 7.342 5.679) 11.569 8.625 ( 1.496 -0.393 15.098) 15.177 9.213 ( 13.324 2.880 -9.529) 16.632 9.938 ( -11.296 -5.386 2.803) 12.824 9.995 ( 22.018 -9.178 9.469) 25.665 11.043 ( 4.105 12.887 -15.680) 20.707 11.734 ( 5.594 4.014 -11.361) 13.285 11.965 ( 0.918 8.437 -7.939) 11.621 13.562 ( 15.223 -5.694 5.723) 17.231 14.453 ( -3.193 -3.997 -4.633) 6.903 14.760 ( 0.974 1.657 0.755) 2.065 15.046 ( 3.518 -5.558 -14.028) 15.494 17.067 ( -42.226 -41.732 20.962) 62.960 18.292 ( -26.520 7.532 -15.037) 31.403 18.939 ( -4.775 -0.134 2.060) 5.202 19.224 ( 0.446 4.835 -2.395) 5.414 20.267 ( -14.672 2.971 12.274) 19.358 21.275 ( 62.936 -18.831 2.592) 65.744 23.677 ( 4.293 23.140 -7.648) 24.747 23.776 ( 0.151 4.103 -2.673) 4.899 ======================= Grid point 200 (92/230) ======================= q-point: ( 0.10 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 5.418 15.748 20.500) 26.412 1.649 ( 13.371 11.228 20.966) 27.284 2.831 ( 18.960 3.805 41.049) 45.376 3.378 ( -2.062 2.459 -5.457) 6.330 3.669 ( 0.734 8.664 -10.537) 13.661 3.845 ( 6.184 -6.690 -0.499) 9.124 4.018 ( -0.048 -5.128 11.530) 12.619 4.202 ( -0.437 -1.943 -1.036) 2.245 4.762 ( -6.501 11.004 5.015) 13.729 5.314 ( -1.518 -6.140 3.822) 7.390 5.439 ( 0.498 -0.820 3.834) 3.952 5.789 ( 13.721 -3.409 -4.548) 14.852 6.174 ( 1.208 8.187 4.569) 9.453 7.229 ( -2.832 3.825 5.045) 6.936 7.481 ( 4.616 6.352 -11.397) 13.840 7.873 ( -3.508 1.379 -0.285) 3.780 8.013 ( -6.262 6.816 4.861) 10.455 8.685 ( 0.289 -0.785 20.250) 20.267 9.401 ( 3.721 2.689 -6.377) 7.858 9.745 ( -3.197 -6.077 -1.764) 7.090 10.459 ( 21.049 -10.426 2.067) 23.581 11.140 ( 10.927 11.782 -18.807) 24.737 11.743 ( -4.687 3.665 -12.742) 14.063 12.037 ( 11.201 7.984 -5.701) 14.890 13.790 ( 2.609 -9.992 5.529) 11.714 14.360 ( -5.380 -7.096 -7.522) 11.656 14.728 ( -4.413 5.141 -2.546) 7.238 15.065 ( 1.535 -7.003 -7.740) 10.550 16.165 ( -37.605 -10.158 26.844) 47.307 18.190 ( 6.380 -4.506 2.232) 8.124 18.875 ( -4.410 -1.887 1.246) 4.956 19.195 ( -2.922 5.488 -0.745) 6.262 19.953 ( -19.820 5.092 5.897) 21.296 22.304 ( 43.195 -28.653 -11.177) 53.026 23.703 ( -0.552 11.535 -5.896) 12.966 23.799 ( 3.361 10.417 -5.839) 12.406 ======================= Grid point 201 (93/230) ======================= q-point: ( 0.20 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 13.327 8.311 17.858) 23.782 1.981 ( 15.908 8.398 17.340) 24.986 3.274 ( 7.717 -6.366 3.880) 10.730 3.373 ( 8.879 7.409 14.793) 18.776 3.627 ( -0.534 5.981 -3.777) 7.094 3.848 ( -0.749 -1.996 -4.898) 5.342 4.132 ( 3.944 -8.415 13.285) 16.213 4.156 ( -4.857 -2.278 -1.765) 5.648 4.754 ( 5.949 13.658 5.371) 15.836 5.273 ( -2.589 -3.146 -2.215) 4.637 5.468 ( 0.826 -4.631 6.717) 8.200 5.952 ( 4.429 -3.968 -8.503) 10.375 6.207 ( 1.123 7.525 1.933) 7.850 7.187 ( -2.845 4.865 7.890) 9.696 7.523 ( 1.641 5.915 -9.581) 11.379 7.808 ( -3.115 3.074 -0.002) 4.376 7.924 ( -4.100 6.930 5.100) 9.532 8.731 ( -1.167 -0.545 23.959) 23.994 9.294 ( -7.429 -2.891 -1.758) 8.163 9.867 ( 11.598 -1.341 -7.563) 13.910 10.756 ( 10.660 2.025 -2.900) 11.232 11.369 ( 15.985 2.215 -16.805) 23.298 11.539 ( -11.739 3.813 -12.394) 17.492 12.318 ( 18.147 6.765 -5.081) 20.023 13.592 ( -22.717 -7.444 22.444) 32.791 14.222 ( -7.348 -8.909 -12.179) 16.784 14.643 ( -2.255 5.136 -5.513) 7.865 15.077 ( 1.017 -6.037 -0.472) 6.141 15.951 ( 5.092 -1.342 10.547) 11.788 18.323 ( 3.090 -10.520 9.693) 14.634 18.761 ( -7.553 -1.686 0.641) 7.765 19.144 ( -1.433 7.537 1.641) 7.845 19.575 ( -19.027 5.813 -0.237) 19.897 22.898 ( 24.033 -25.089 -14.371) 37.597 23.643 ( -4.061 3.279 -4.735) 7.047 23.844 ( 2.417 10.290 -6.582) 12.452 ======================= Grid point 202 (94/230) ======================= q-point: ( 0.30 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 18.886 0.800 14.051) 23.553 2.327 ( 15.992 5.610 15.145) 22.729 3.202 ( -7.655 3.786 -1.766) 8.721 3.413 ( -5.187 -3.063 -9.313) 11.091 3.733 ( -2.163 -1.257 -4.312) 4.985 3.917 ( -2.238 3.086 14.797) 15.280 3.989 ( 3.544 1.115 7.471) 8.344 4.308 ( 12.485 -10.453 -5.291) 17.121 4.948 ( 9.679 5.875 5.201) 12.460 5.231 ( 0.177 1.941 -0.805) 2.109 5.489 ( -0.448 -5.232 5.349) 7.496 5.917 ( -6.363 -0.571 -4.515) 7.823 6.243 ( 3.561 5.916 -1.640) 7.097 7.170 ( -0.950 2.948 10.346) 10.800 7.471 ( -5.303 5.347 -7.405) 10.562 7.757 ( -2.567 4.750 2.377) 5.900 7.889 ( -0.772 7.787 6.644) 10.266 8.748 ( -3.155 -0.974 25.494) 25.707 9.247 ( 3.743 -2.340 -2.781) 5.217 10.048 ( 8.347 -0.538 -5.753) 10.152 10.900 ( 6.702 10.320 -7.889) 14.617 11.243 ( -14.564 0.663 -13.037) 19.558 11.623 ( 11.328 1.140 -10.803) 15.695 12.682 ( 20.822 3.786 -5.665) 21.909 13.237 ( -17.486 -3.344 24.719) 30.463 13.975 ( -15.210 -8.291 -14.895) 22.846 14.606 ( -1.101 1.960 -1.725) 2.834 15.099 ( 0.600 -4.668 2.833) 5.493 16.209 ( 17.584 0.379 0.323) 17.591 18.281 ( -9.586 -4.124 5.900) 11.987 18.609 ( -8.332 -4.895 3.311) 10.215 19.091 ( -9.664 11.653 4.431) 15.774 19.366 ( 2.943 -0.545 -0.449) 3.027 23.203 ( 12.244 -17.427 -18.444) 28.175 23.541 ( -4.687 -2.302 -2.644) 5.853 23.857 ( 0.486 6.812 -5.018) 8.474 ======================= Grid point 203 (95/230) ======================= q-point: ( 0.40 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 19.745 -4.295 10.006) 22.548 2.630 ( 9.477 0.660 13.024) 16.121 3.038 ( -6.267 7.942 1.662) 10.252 3.279 ( -7.084 -2.677 -3.819) 8.481 3.517 ( -15.192 3.249 -3.000) 15.822 3.826 ( -2.520 -6.413 -3.157) 7.579 4.123 ( 0.873 3.177 -3.184) 4.582 4.577 ( 13.240 -13.092 -5.111) 19.309 5.067 ( 4.665 -2.456 0.299) 5.281 5.340 ( 8.119 8.643 8.052) 14.334 5.471 ( -2.663 -2.940 3.606) 5.361 5.717 ( -12.478 4.396 1.405) 13.304 6.354 ( 8.582 4.496 -2.642) 10.042 7.202 ( 1.377 -0.936 12.101) 12.215 7.307 ( -8.758 4.643 -6.547) 11.879 7.721 ( -2.013 4.154 5.164) 6.926 7.928 ( 2.669 10.221 8.510) 13.565 8.744 ( -3.376 -1.491 26.098) 26.358 9.382 ( 9.345 0.603 -4.819) 10.532 10.156 ( 4.221 -1.025 -1.726) 4.674 10.921 ( -15.345 1.346 -13.719) 20.627 10.995 ( 5.325 12.298 -10.413) 16.971 11.726 ( 1.655 1.554 -6.406) 6.796 12.996 ( 1.708 -4.458 7.712) 9.070 13.132 ( 11.200 1.496 0.648) 11.318 13.602 ( -18.615 -6.527 -11.606) 22.887 14.591 ( -0.358 0.426 2.258) 2.325 15.100 ( -1.501 -3.946 3.138) 5.260 16.568 ( 19.469 3.439 -1.330) 19.815 18.036 ( -15.104 1.341 -1.002) 15.196 18.463 ( -7.641 0.274 4.386) 8.815 18.904 ( -7.339 3.630 -0.655) 8.214 19.568 ( 12.946 -2.406 11.145) 17.251 23.230 ( -4.080 -7.970 -24.173) 25.778 23.528 ( 4.048 -9.781 -0.726) 10.610 23.840 ( -1.277 4.207 -3.426) 5.574 ======================= Grid point 204 (96/230) ======================= q-point: (-0.50 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -13.323 -0.805 7.707) 15.413 2.766 ( 9.180 -7.730 3.453) 12.488 3.034 ( -10.788 1.946 11.929) 16.201 3.173 ( 7.163 1.769 2.044) 7.656 3.319 ( 0.657 4.151 -7.341) 8.459 3.759 ( -4.478 -6.600 -7.530) 10.969 4.024 ( -7.910 4.970 -7.646) 12.072 4.702 ( 2.062 -13.530 -9.278) 16.535 5.189 ( 4.292 -2.131 0.471) 4.815 5.354 ( -7.777 0.166 5.687) 9.636 5.457 ( -1.150 7.339 7.291) 10.409 5.595 ( 1.973 5.932 5.591) 8.387 6.545 ( 11.415 4.029 -1.590) 12.209 7.142 ( -5.369 3.558 -6.341) 9.039 7.283 ( 3.195 -3.916 12.068) 13.084 7.706 ( -1.065 1.401 7.203) 7.415 8.018 ( 4.322 12.063 8.460) 15.355 8.744 ( -3.285 -0.897 26.028) 26.250 9.500 ( 2.671 1.820 -6.665) 7.407 10.228 ( 3.945 -0.649 1.915) 4.433 10.579 ( -16.898 1.058 -13.129) 21.425 11.069 ( 4.922 13.991 -11.683) 18.880 11.684 ( -3.706 2.238 -4.611) 6.325 12.913 ( -11.116 -9.567 0.211) 14.667 13.149 ( -10.372 0.822 -5.819) 11.921 13.577 ( 18.742 -3.205 -2.934) 19.240 14.606 ( 1.137 0.263 4.219) 4.378 15.056 ( -3.570 -3.582 2.260) 5.539 16.938 ( 19.158 7.289 1.956) 20.591 17.743 ( -13.802 2.478 -6.191) 15.328 18.362 ( -3.317 3.998 3.961) 6.533 18.832 ( 0.005 -1.521 -1.676) 2.263 19.855 ( 12.827 -3.302 18.062) 22.398 23.012 ( -11.504 -10.548 -26.854) 31.060 23.618 ( 4.968 -6.548 -3.189) 8.816 23.793 ( -2.777 3.425 -2.772) 5.208 ======================= Grid point 205 (97/230) ======================= q-point: (-0.40 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -19.624 2.308 7.107) 20.999 2.566 ( -23.829 -6.321 10.426) 26.767 2.986 ( 1.536 -2.767 -5.830) 6.634 3.342 ( 8.986 -3.234 -5.227) 10.887 3.487 ( 1.981 0.131 9.013) 9.229 3.584 ( -3.323 3.305 -7.376) 8.738 3.914 ( -0.225 6.314 -0.662) 6.353 4.612 ( -9.172 -3.411 -8.275) 12.815 5.130 ( -4.017 -4.636 3.545) 7.085 5.317 ( -2.209 -2.275 3.641) 4.828 5.467 ( 1.081 4.094 5.667) 7.074 5.658 ( 1.243 6.817 4.985) 8.537 6.760 ( 10.718 3.968 -0.469) 11.438 7.086 ( 1.231 2.455 -8.186) 8.635 7.364 ( 1.557 -7.633 10.221) 12.851 7.716 ( 0.207 -1.471 8.918) 9.041 8.124 ( 4.857 12.870 5.403) 14.779 8.737 ( -3.753 -0.184 23.353) 23.654 9.430 ( -7.868 0.853 -5.095) 9.412 10.214 ( -18.175 1.920 -9.227) 20.473 10.310 ( 3.249 1.210 1.387) 3.734 11.122 ( 3.262 14.521 -11.606) 18.874 11.604 ( -2.482 2.625 -4.902) 6.090 12.565 ( -18.942 -6.238 -12.832) 23.715 13.070 ( -1.496 -1.608 9.969) 10.208 13.945 ( 19.528 -5.043 -6.605) 21.222 14.649 ( 1.957 0.443 4.317) 4.761 14.983 ( -4.136 -3.125 0.586) 5.217 17.289 ( 13.082 7.089 8.316) 17.045 17.527 ( -2.773 3.561 -9.454) 10.476 18.370 ( 3.382 0.739 3.106) 4.651 18.887 ( 5.759 -0.326 -0.849) 5.831 20.126 ( 10.170 -2.882 22.144) 24.537 22.661 ( -18.269 -16.286 -33.056) 41.130 23.694 ( 3.571 -2.135 -2.922) 5.084 23.725 ( -3.267 5.415 -3.544) 7.250 ======================= Grid point 206 (98/230) ======================= q-point: (-0.30 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -20.759 5.254 6.607) 22.410 2.104 ( -26.202 -7.321 15.074) 31.102 3.013 ( 3.375 -2.939 -4.151) 6.104 3.154 ( -20.855 7.883 6.664) 23.270 3.480 ( 3.393 -0.616 -7.688) 8.426 3.754 ( 6.701 3.391 3.903) 8.464 4.003 ( 7.252 2.248 4.453) 8.801 4.389 ( -9.202 3.665 -8.626) 13.134 5.120 ( 0.394 -5.950 7.746) 9.775 5.251 ( -4.588 -4.826 2.160) 7.001 5.487 ( -0.397 3.105 5.307) 6.162 5.653 ( -2.806 6.352 2.755) 7.471 6.917 ( 3.999 3.000 0.077) 4.999 7.133 ( 5.358 0.770 -9.463) 10.902 7.357 ( -4.212 -10.866 2.479) 11.914 7.765 ( 2.636 -1.840 10.921) 11.385 8.223 ( 4.470 12.891 0.890) 13.673 8.702 ( -5.235 0.113 17.556) 18.321 9.221 ( -11.614 0.664 -3.249) 12.078 9.859 ( -16.880 3.127 0.356) 17.170 10.335 ( -1.140 1.477 0.355) 1.899 11.125 ( -0.070 12.462 -11.722) 17.109 11.594 ( 2.878 4.913 -5.063) 7.619 12.211 ( -14.233 -1.718 -11.948) 18.663 13.088 ( 0.417 -3.016 12.080) 12.458 14.270 ( 15.773 -5.670 -6.888) 18.122 14.685 ( 0.419 -0.704 3.078) 3.185 14.919 ( -1.661 -1.844 -2.803) 3.744 17.293 ( -3.874 -6.698 -1.698) 7.922 17.816 ( 24.633 10.603 8.321) 28.079 18.496 ( 8.591 -2.888 1.856) 9.252 19.034 ( 9.230 3.126 1.358) 9.839 20.337 ( 5.839 -1.846 23.661) 24.440 22.128 ( -29.379 -21.866 -40.630) 54.699 23.653 ( -2.699 8.679 -4.169) 10.000 23.748 ( 2.504 2.574 -3.037) 4.703 ======================= Grid point 207 (99/230) ======================= q-point: (-0.20 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -18.144 7.771 10.694) 22.449 1.689 ( -20.768 -3.586 22.791) 31.042 2.771 ( -21.123 15.838 21.148) 33.827 3.122 ( 7.940 -3.167 2.828) 9.004 3.511 ( 3.096 2.731 -10.503) 11.286 3.757 ( -6.118 5.441 0.188) 8.189 4.135 ( 4.121 -1.794 4.382) 6.277 4.292 ( 0.631 0.495 -9.168) 9.203 5.104 ( -5.185 -0.597 5.922) 7.894 5.220 ( 1.036 -6.759 9.255) 11.507 5.489 ( -0.559 2.240 2.970) 3.762 5.567 ( -6.067 5.051 1.530) 8.041 6.797 ( -18.014 -5.507 -1.944) 18.937 7.229 ( 5.850 1.099 -4.994) 7.770 7.282 ( -0.258 -1.993 -8.274) 8.515 7.865 ( 4.400 -0.742 11.727) 12.547 8.278 ( 0.479 10.647 -0.051) 10.658 8.627 ( -5.523 0.520 12.121) 13.330 9.029 ( -5.723 1.551 -4.901) 7.692 9.623 ( -8.071 2.657 13.151) 15.658 10.273 ( -5.306 0.284 1.274) 5.465 11.079 ( -1.262 9.497 -11.811) 15.208 11.662 ( 4.401 5.798 -7.414) 10.390 11.986 ( -5.969 4.214 -9.639) 12.095 13.149 ( 3.221 -3.130 13.353) 14.088 14.489 ( 7.216 -2.933 -3.584) 8.575 14.682 ( -0.195 -4.287 1.256) 4.471 14.923 ( 3.515 -0.566 -9.302) 9.960 17.266 ( 1.199 -16.808 1.137) 16.889 18.392 ( 30.619 0.477 11.385) 32.670 18.692 ( 12.309 -0.361 1.421) 12.396 19.245 ( 12.812 6.446 6.581) 15.780 20.446 ( -0.667 -1.314 21.847) 21.896 21.300 ( -47.181 -22.317 -44.829) 68.802 23.611 ( -0.327 14.718 -5.239) 15.626 23.777 ( 1.190 4.922 -2.834) 5.803 ======================= Grid point 208 (100/230) ======================= q-point: (-0.10 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -7.762 9.442 22.049) 25.211 1.452 ( -9.804 7.469 25.945) 28.724 2.492 ( -13.348 16.681 34.836) 40.865 3.328 ( 11.712 -3.588 9.005) 15.204 3.564 ( 4.663 6.568 -11.261) 13.846 3.609 ( -7.021 5.118 -3.259) 9.279 4.158 ( -2.289 -3.847 2.015) 4.909 4.291 ( -0.020 -3.268 -8.713) 9.305 5.006 ( -6.071 -1.954 6.152) 8.862 5.264 ( 0.094 0.452 12.534) 12.542 5.413 ( -4.958 0.889 -2.228) 5.508 5.525 ( -0.221 3.175 5.340) 6.216 6.372 ( -20.133 -0.318 3.762) 20.484 7.269 ( -0.005 1.255 0.990) 1.598 7.338 ( 6.291 4.414 -13.293) 15.354 7.951 ( 1.000 -0.404 8.245) 8.315 8.234 ( -4.949 8.128 4.373) 10.473 8.582 ( -1.320 0.363 10.869) 10.955 9.026 ( 6.965 2.306 -8.256) 11.045 9.649 ( 7.705 -2.024 16.710) 18.512 10.142 ( -9.028 -1.659 3.073) 9.680 11.038 ( 0.345 9.933 -12.707) 16.132 11.690 ( 1.843 3.099 -11.491) 12.044 11.947 ( 2.352 9.625 -7.291) 12.302 13.295 ( 9.345 -3.205 12.167) 15.673 14.514 ( -2.036 -1.828 -2.305) 3.578 14.718 ( 2.681 -2.796 1.504) 4.156 14.990 ( 5.728 -2.702 -14.893) 16.184 17.315 ( 0.660 -30.517 7.972) 31.548 18.714 ( 2.173 -14.122 -2.834) 14.567 19.037 ( 12.928 4.063 -2.233) 13.734 19.509 ( -13.130 -0.016 -5.991) 14.433 20.301 ( -1.349 -5.781 1.128) 6.042 20.491 ( -9.448 1.330 8.372) 12.693 23.620 ( 2.745 20.676 -6.231) 21.768 23.782 ( 0.180 5.385 -2.703) 6.028 ======================= Grid point 209 (101/230) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 5.037 19.486 15.772) 25.570 1.782 ( 4.767 19.341 23.368) 30.706 2.757 ( -1.795 14.353 28.071) 31.579 3.440 ( 9.686 -8.793 9.659) 16.261 3.625 ( -4.521 10.580 1.086) 11.557 3.833 ( -0.288 4.423 -1.261) 4.609 3.981 ( -1.058 -0.963 -5.363) 5.550 4.214 ( -1.133 1.333 -6.251) 6.491 4.932 ( -0.044 -0.860 6.478) 6.535 5.241 ( -3.266 -1.776 5.481) 6.623 5.353 ( 1.456 -4.647 2.288) 5.381 5.599 ( 2.541 0.555 6.119) 6.649 6.351 ( -0.977 10.579 2.023) 10.815 7.337 ( 0.456 5.306 2.154) 5.744 7.561 ( 6.554 8.075 -9.444) 14.048 7.983 ( -2.086 4.624 2.045) 5.469 8.232 ( -6.294 1.679 8.588) 10.779 8.655 ( 1.549 3.793 10.480) 11.253 9.274 ( 14.162 2.740 -7.868) 16.431 9.802 ( -10.114 -5.747 2.172) 11.833 9.901 ( 11.150 -2.229 13.512) 17.660 11.049 ( 4.495 -9.013 -7.340) 12.462 12.004 ( 5.557 18.238 -15.626) 24.651 12.150 ( -0.779 10.427 -5.696) 11.907 13.428 ( 10.775 -7.063 4.043) 13.503 14.357 ( -5.795 -5.644 -6.036) 10.093 14.714 ( 6.828 -8.940 -1.217) 11.315 14.945 ( -1.038 -1.763 -11.973) 12.147 16.351 ( -26.338 -28.571 24.176) 45.766 18.286 ( -12.619 -5.082 -21.733) 25.639 18.957 ( -12.085 1.391 0.024) 12.165 19.318 ( 1.747 4.067 -5.575) 7.118 20.343 ( -11.862 4.269 13.244) 18.285 20.954 ( 44.085 -12.747 8.791) 46.725 23.883 ( -0.338 6.145 -1.827) 6.420 24.041 ( 1.728 12.286 -9.294) 15.502 ======================= Grid point 210 (102/230) ======================= q-point: ( 0.10 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 3.893 19.648 14.542) 24.752 1.942 ( 8.082 17.311 19.154) 27.053 2.922 ( 10.843 4.855 23.336) 26.186 3.523 ( 1.109 7.540 0.598) 7.645 3.671 ( 3.727 -3.550 3.762) 6.376 3.807 ( -0.552 -1.828 3.934) 4.373 3.910 ( -4.108 -2.088 -1.451) 4.831 4.229 ( 1.978 5.249 -3.666) 6.701 4.967 ( 2.264 7.114 4.581) 8.759 5.170 ( -4.387 -5.626 3.559) 7.972 5.386 ( 0.394 -5.027 2.687) 5.713 5.727 ( 8.623 -3.104 1.046) 9.224 6.361 ( 0.901 9.736 0.138) 9.779 7.337 ( -1.469 6.493 4.218) 7.881 7.642 ( 4.441 9.058 -9.889) 14.126 7.952 ( -1.720 6.635 2.396) 7.261 8.139 ( -4.980 4.396 7.769) 10.222 8.704 ( 0.416 3.402 14.209) 14.617 9.437 ( -9.211 -1.066 -2.902) 9.716 9.610 ( 8.640 -4.878 -6.982) 12.132 10.336 ( 24.437 -2.872 13.211) 27.928 11.152 ( 7.929 -7.829 -8.748) 14.167 11.945 ( -7.111 13.728 -14.036) 20.882 12.249 ( 11.804 12.595 -7.163) 18.689 13.570 ( 0.473 -10.675 6.042) 12.275 14.205 ( -8.352 -8.311 -8.827) 14.722 14.817 ( 1.994 0.426 -0.662) 2.144 14.863 ( -2.349 -9.628 -9.329) 13.610 15.940 ( -16.462 -11.156 21.124) 29.012 18.087 ( -2.005 -5.212 -10.769) 12.131 18.839 ( -4.384 -1.660 1.105) 4.816 19.304 ( -1.850 4.941 -2.732) 5.941 20.083 ( -17.375 7.398 8.418) 20.676 21.775 ( 38.186 -23.155 0.106) 44.658 23.833 ( -4.247 5.464 -2.779) 7.458 24.033 ( -0.251 8.614 -8.102) 11.828 ======================= Grid point 211 (103/230) ======================= q-point: ( 0.20 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 4.760 15.674 14.401) 21.811 2.188 ( 12.420 11.730 14.903) 22.671 3.157 ( 7.522 -4.759 5.232) 10.325 3.566 ( -1.303 9.451 -3.320) 10.101 3.647 ( -2.197 -6.363 -3.591) 7.630 3.854 ( 8.340 6.433 6.629) 12.445 3.927 ( 1.261 -11.131 14.918) 18.656 4.198 ( -4.435 5.879 -6.277) 9.676 5.025 ( 1.057 10.888 1.026) 10.988 5.141 ( 2.969 -7.288 1.915) 8.099 5.390 ( -0.511 -4.034 5.973) 7.226 5.863 ( 4.791 -4.605 -2.341) 7.045 6.374 ( 0.625 8.764 -0.818) 8.824 7.295 ( -4.078 5.134 5.851) 8.788 7.678 ( 1.209 8.817 -9.548) 13.053 7.936 ( -0.836 9.956 5.242) 11.283 8.074 ( -3.628 6.674 6.920) 10.276 8.741 ( -0.891 2.053 16.401) 16.553 9.200 ( -8.108 -5.877 -1.954) 10.203 9.850 ( 13.195 -0.126 -8.434) 15.661 10.804 ( 19.627 2.361 11.457) 22.848 11.287 ( 7.504 -8.356 -11.751) 16.255 11.747 ( -8.126 14.437 -14.753) 22.184 12.497 ( 15.109 10.163 -5.158) 18.925 13.433 ( -15.688 -7.344 16.230) 23.738 14.010 ( -9.638 -12.005 -11.969) 19.500 14.722 ( -4.759 1.289 -7.507) 8.981 14.918 ( 3.723 -8.135 2.376) 9.257 15.916 ( 8.789 -2.053 8.186) 12.185 18.108 ( 3.974 -9.953 -2.404) 10.983 18.725 ( -8.292 -1.836 0.458) 8.505 19.271 ( -0.179 4.803 0.188) 4.810 19.740 ( -19.610 10.116 4.622) 22.544 22.385 ( 26.670 -24.946 -5.859) 36.985 23.709 ( -7.727 3.431 -4.277) 9.475 23.998 ( -1.581 4.929 -5.877) 7.831 ======================= Grid point 212 (104/230) ======================= q-point: ( 0.30 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 10.899 6.965 11.498) 17.307 2.462 ( 12.434 7.774 11.438) 18.598 3.232 ( 0.901 -3.955 -1.431) 4.301 3.391 ( -11.408 3.753 -4.245) 12.737 3.660 ( 1.835 -6.306 -8.173) 10.485 3.871 ( -12.474 -7.833 10.015) 17.812 4.115 ( 3.419 -4.501 -14.228) 15.310 4.144 ( 12.953 10.704 12.765) 21.102 4.995 ( -1.440 -3.611 -4.618) 6.037 5.297 ( 9.847 6.494 6.588) 13.510 5.406 ( 0.381 -2.989 8.474) 8.994 5.886 ( -2.120 -2.258 -0.549) 3.146 6.394 ( 2.436 8.769 -1.343) 9.200 7.224 ( -4.417 1.942 7.437) 8.865 7.615 ( -5.832 8.574 -8.715) 13.545 7.912 ( -3.964 10.167 7.547) 13.268 8.065 ( 1.390 8.013 7.657) 11.170 8.732 ( -2.732 0.348 13.744) 14.018 9.204 ( 7.789 -1.300 0.899) 7.948 10.035 ( 7.907 -0.690 -6.538) 10.283 11.087 ( 6.083 4.808 2.589) 8.175 11.285 ( -4.179 3.903 -9.539) 11.121 11.680 ( 5.244 6.525 -12.720) 15.228 12.786 ( 15.605 5.955 -2.818) 16.939 13.166 ( -14.332 -3.182 18.632) 23.721 13.751 ( -14.503 -13.593 -13.195) 23.858 14.637 ( -2.770 0.682 -2.729) 3.948 14.981 ( 1.914 -6.343 2.796) 7.191 16.228 ( 21.045 1.532 -0.784) 21.115 18.167 ( 0.870 -6.853 -1.016) 6.983 18.540 ( -9.624 -2.120 1.263) 9.936 19.322 ( 2.441 5.537 8.139) 10.142 19.377 ( -16.332 7.028 -0.711) 17.794 22.785 ( 17.492 -22.676 -10.897) 30.642 23.526 ( -9.869 -0.121 -4.638) 10.905 23.951 ( -1.999 2.857 -4.263) 5.508 ======================= Grid point 213 (105/230) ======================= q-point: ( 0.40 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 13.934 -1.519 7.259) 15.785 2.676 ( 5.241 4.299 7.033) 9.768 3.174 ( -7.330 -4.146 -2.265) 8.720 3.218 ( -3.522 5.147 3.415) 7.111 3.565 ( -14.497 0.414 -5.638) 15.561 3.680 ( -0.909 -7.188 -4.715) 8.645 4.133 ( 1.188 -5.588 -9.517) 11.099 4.359 ( 6.112 -4.413 -5.960) 9.609 5.026 ( 5.839 -1.948 2.471) 6.633 5.424 ( 0.503 0.029 5.042) 5.067 5.505 ( 7.806 6.235 10.756) 14.680 5.780 ( -8.666 1.822 3.543) 9.538 6.485 ( 7.462 8.364 -1.112) 11.264 7.179 ( -2.215 -1.307 9.185) 9.539 7.439 ( -9.202 7.932 -8.164) 14.637 7.841 ( -4.927 7.055 8.071) 11.798 8.135 ( 3.234 7.817 8.300) 11.852 8.740 ( -0.027 3.042 14.494) 14.809 9.417 ( 12.053 2.995 -0.771) 12.443 10.129 ( 3.735 -1.543 -2.115) 4.561 10.938 ( -13.857 0.390 -13.677) 19.474 11.322 ( 5.547 18.679 -0.558) 19.493 11.750 ( 2.286 0.741 -8.147) 8.494 12.921 ( -7.847 -2.657 11.595) 14.250 13.142 ( 13.342 -0.712 -1.727) 13.472 13.421 ( -15.411 -11.047 -9.551) 21.231 14.604 ( -0.499 0.804 0.773) 1.221 14.998 ( -0.894 -5.833 2.571) 6.436 16.668 ( 24.798 6.436 -3.523) 25.861 18.063 ( -10.939 1.036 -4.055) 11.712 18.456 ( 0.609 -1.117 2.623) 2.916 19.018 ( -17.085 7.620 1.404) 18.760 19.505 ( 10.328 -3.519 11.435) 15.805 22.958 ( 1.330 -18.301 -21.399) 28.189 23.376 ( -1.752 -5.349 1.024) 5.721 23.902 ( -2.046 2.234 -3.695) 4.779 ======================= Grid point 214 (106/230) ======================= q-point: (-0.50 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 2.011 -1.902 3.109) 4.162 2.614 ( -8.486 -3.182 4.978) 10.340 3.054 ( -12.790 -1.203 1.328) 12.915 3.163 ( 3.553 -1.374 -5.574) 6.751 3.398 ( 0.641 1.165 2.437) 2.776 3.654 ( -0.155 -1.821 -9.216) 9.396 4.097 ( -2.224 0.667 -5.739) 6.191 4.408 ( 3.334 -13.863 -13.078) 19.347 5.167 ( 5.100 0.310 4.720) 6.956 5.399 ( -5.696 3.730 5.477) 8.738 5.580 ( -4.495 4.528 6.905) 9.401 5.695 ( 2.752 3.917 8.633) 9.871 6.661 ( 10.552 7.411 0.184) 12.896 7.174 ( -1.244 -3.587 8.938) 9.711 7.270 ( -5.568 5.833 -7.410) 10.951 7.774 ( -3.833 4.626 8.720) 10.589 8.217 ( 3.497 5.372 7.111) 9.573 8.782 ( 0.090 6.645 15.983) 17.310 9.561 ( 1.474 4.127 -3.867) 5.844 10.215 ( 6.142 -0.507 2.424) 6.623 10.616 ( -15.891 2.438 -12.842) 20.576 11.417 ( 4.789 19.540 -6.068) 21.014 11.719 ( -3.009 0.605 -4.393) 5.359 12.727 ( -13.903 -8.221 1.565) 16.227 13.123 ( -8.703 -2.970 -3.700) 9.912 13.475 ( 16.363 -7.069 -0.452) 17.830 14.620 ( 1.706 1.144 1.757) 2.703 14.964 ( -2.938 -5.214 2.164) 6.364 17.137 ( 24.415 12.046 -1.982) 27.297 17.806 ( -13.308 3.502 -6.533) 15.233 18.473 ( -3.184 6.662 3.289) 8.084 18.792 ( -3.343 -2.299 -0.323) 4.070 19.761 ( 12.321 -5.896 17.930) 22.540 22.726 ( -16.253 -17.290 -26.063) 35.247 23.477 ( 8.670 -6.838 0.936) 11.081 23.856 ( -1.721 2.662 -4.111) 5.191 ======================= Grid point 215 (107/230) ======================= q-point: (-0.40 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -17.466 4.671 8.609) 20.025 2.436 ( -19.321 -4.581 0.390) 19.861 2.907 ( -0.582 -4.949 -5.883) 7.710 3.256 ( 6.205 -5.356 -8.614) 11.891 3.435 ( -1.210 -3.922 5.420) 6.799 3.693 ( 7.288 6.744 -3.300) 10.463 4.062 ( -0.091 6.876 -1.889) 7.131 4.447 ( 3.430 -12.990 -10.136) 16.830 5.120 ( -10.345 3.204 3.630) 11.422 5.309 ( -3.724 2.800 8.591) 9.773 5.544 ( -1.059 2.217 3.758) 4.490 5.765 ( 1.145 3.737 7.125) 8.126 6.869 ( 10.538 6.504 1.192) 12.440 7.145 ( -3.165 -1.246 3.497) 4.878 7.205 ( -0.941 -2.198 -3.672) 4.381 7.747 ( -0.912 3.233 9.473) 10.051 8.302 ( 3.874 3.247 4.166) 6.550 8.805 ( -1.809 8.301 14.910) 17.160 9.458 ( -9.887 1.909 -1.688) 10.210 10.277 ( -16.231 4.261 -6.939) 18.159 10.344 ( 4.482 2.160 0.140) 4.978 11.429 ( -2.763 10.920 -13.874) 17.871 11.693 ( 3.156 8.999 0.700) 9.562 12.440 ( -13.920 -4.821 -5.787) 15.827 13.017 ( -3.256 -3.633 4.476) 6.620 13.790 ( 16.561 -10.471 -2.312) 19.730 14.662 ( 1.719 0.657 0.558) 1.923 14.909 ( -2.807 -3.734 1.628) 4.947 17.466 ( -5.880 9.318 1.268) 11.091 17.644 ( 13.426 8.617 -6.956) 17.404 18.378 ( -3.074 -0.373 2.300) 3.857 18.887 ( 10.004 0.551 0.581) 10.036 20.042 ( 11.539 -5.447 22.093) 25.513 22.272 ( -24.165 -21.066 -29.404) 43.501 23.641 ( 7.684 -2.766 -0.381) 8.175 23.826 ( 0.160 4.120 -5.227) 6.657 ======================= Grid point 216 (108/230) ======================= q-point: (-0.30 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -17.305 4.116 14.636) 23.035 2.017 ( -21.401 4.938 0.285) 21.965 2.924 ( 3.099 -5.963 -2.815) 7.286 3.235 ( -7.544 -0.999 1.334) 7.726 3.478 ( 6.266 0.901 -4.611) 7.831 3.848 ( 6.839 5.547 1.233) 8.891 4.069 ( 0.583 3.983 -0.420) 4.048 4.454 ( -2.091 0.437 -7.226) 7.535 4.982 ( -2.094 -4.985 6.863) 8.737 5.227 ( -6.888 2.423 7.170) 10.233 5.528 ( -1.660 0.042 2.056) 2.643 5.757 ( -3.573 3.586 5.284) 7.317 6.976 ( -7.529 -0.348 1.690) 7.724 7.109 ( 4.932 -2.073 6.252) 8.229 7.218 ( 4.149 1.148 -10.298) 11.161 7.794 ( 3.385 3.045 9.602) 10.627 8.372 ( 2.259 1.023 0.704) 2.577 8.778 ( -4.181 8.342 11.522) 14.826 9.237 ( -11.747 0.912 0.380) 11.789 9.956 ( -15.544 6.744 1.076) 16.978 10.371 ( -2.098 1.955 -0.641) 2.938 11.278 ( -7.640 -0.482 -14.592) 16.478 11.820 ( 8.290 18.216 -1.673) 20.083 12.209 ( -8.013 2.590 -6.968) 10.930 13.003 ( 0.169 -5.379 7.438) 9.180 14.091 ( 15.512 -12.339 -3.600) 20.146 14.658 ( -2.454 -2.116 -1.156) 3.440 14.890 ( 0.876 -0.648 -0.323) 1.136 17.210 ( -14.913 -1.158 0.892) 14.984 17.976 ( 16.225 3.235 -0.262) 16.547 18.461 ( 11.937 1.244 0.457) 12.011 19.113 ( 12.580 4.350 2.874) 13.618 20.286 ( 7.704 -3.159 23.497) 24.929 21.657 ( -32.742 -23.180 -32.825) 51.835 23.745 ( 3.446 2.236 -1.704) 4.448 23.860 ( 4.840 6.064 -5.620) 9.581 ======================= Grid point 217 (109/230) ======================= q-point: (-0.20 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -13.843 10.759 11.452) 20.941 1.757 ( -11.412 10.888 16.587) 22.889 3.020 ( 6.484 -5.743 4.661) 9.836 3.050 ( -12.051 8.240 11.235) 18.422 3.605 ( 8.432 6.649 -8.036) 13.411 3.887 ( -3.276 6.212 -1.853) 7.264 4.082 ( -0.388 -2.181 3.755) 4.360 4.350 ( -4.410 5.292 -8.246) 10.745 5.029 ( -1.520 -7.866 3.892) 8.906 5.145 ( 1.254 0.886 11.920) 12.018 5.481 ( -3.761 -3.270 -1.826) 5.307 5.665 ( -6.557 3.577 6.432) 9.857 6.712 ( -16.896 -1.741 2.263) 17.135 7.244 ( 4.908 2.014 4.370) 6.873 7.303 ( 7.749 2.924 -11.951) 14.541 7.909 ( 5.659 3.844 8.476) 10.892 8.369 ( -2.789 -1.582 0.719) 3.286 8.714 ( -4.989 7.782 9.244) 13.073 9.060 ( -5.047 1.351 -2.678) 5.871 9.722 ( -9.601 7.510 11.006) 16.423 10.274 ( -7.550 -0.172 -0.070) 7.552 11.113 ( -5.482 -6.406 -12.319) 14.928 11.929 ( 3.251 18.463 -10.620) 21.546 12.128 ( 1.265 10.573 -3.398) 11.178 13.062 ( 4.248 -5.440 8.688) 11.096 14.356 ( 12.803 -11.647 -3.717) 17.703 14.579 ( -4.696 -4.582 -2.400) 6.987 14.924 ( 2.747 0.657 -4.727) 5.506 16.943 ( -13.903 -13.552 7.933) 20.973 18.252 ( 13.009 -11.795 -2.811) 17.784 18.793 ( 20.812 8.003 -1.019) 22.321 19.377 ( 14.082 6.021 6.912) 16.803 20.416 ( -1.483 -1.467 19.441) 19.553 20.880 ( -37.826 -17.866 -29.044) 50.927 23.801 ( 3.483 5.816 -2.853) 7.355 23.947 ( 4.954 9.088 -5.937) 11.932 ======================= Grid point 218 (110/230) ======================= q-point: (-0.10 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -2.379 19.119 17.260) 25.867 1.675 ( -1.339 14.373 22.541) 26.767 2.843 ( -11.788 15.651 21.094) 28.790 3.209 ( 10.486 -7.898 10.280) 16.673 3.754 ( 7.667 11.494 -6.418) 15.235 3.761 ( -7.107 9.060 -3.840) 12.138 4.037 ( -4.375 -6.180 3.071) 8.171 4.278 ( -2.129 1.669 -9.575) 9.950 4.952 ( -4.076 -3.239 6.534) 8.355 5.254 ( 1.876 -1.262 11.409) 11.631 5.373 ( -4.716 -5.265 -3.996) 8.119 5.589 ( -2.747 2.181 7.977) 8.714 6.440 ( -10.184 6.994 3.061) 12.728 7.311 ( 2.001 3.262 1.071) 3.974 7.439 ( 8.284 5.505 -9.130) 13.502 8.000 ( 0.928 4.536 4.464) 6.431 8.308 ( -3.747 -1.145 6.754) 7.809 8.640 ( -3.516 5.012 8.497) 10.473 9.073 ( 7.435 2.185 -6.740) 10.270 9.669 ( 1.403 4.589 15.934) 16.641 10.089 ( -11.870 -3.381 0.783) 12.367 11.028 ( -0.539 -9.034 -9.044) 12.794 11.943 ( 3.316 17.676 -14.851) 23.324 12.167 ( 1.584 12.894 -4.227) 13.662 13.211 ( 9.248 -4.822 7.400) 12.788 14.467 ( -4.526 -2.978 -2.959) 6.174 14.569 ( 8.808 -12.497 -3.684) 15.727 14.957 ( 2.115 -0.120 -9.463) 9.698 16.700 ( -15.894 -27.025 16.876) 35.606 18.420 ( 4.487 -14.439 -11.160) 18.793 19.126 ( 10.517 4.565 -5.096) 12.547 19.496 ( -17.616 -1.270 -10.337) 20.464 20.235 ( 9.959 -1.103 6.893) 12.162 20.512 ( -5.538 0.889 13.370) 14.499 23.860 ( 2.903 6.717 -2.364) 7.690 24.012 ( 3.439 12.220 -7.858) 14.930 ======================= Grid point 219 (111/230) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 4.380 17.993 11.345) 21.718 2.199 ( 6.133 21.971 19.456) 29.981 2.966 ( -1.862 3.553 14.580) 15.122 3.248 ( 8.115 -8.949 12.208) 17.174 3.653 ( -6.188 -8.979 5.499) 12.213 3.970 ( -4.332 15.594 6.477) 17.432 4.105 ( -3.511 6.398 -13.456) 15.307 4.311 ( 4.128 8.746 -5.527) 11.140 4.886 ( 0.842 -2.084 6.696) 7.063 5.178 ( 0.449 -7.456 -2.646) 7.924 5.284 ( -0.258 0.087 8.372) 8.377 5.542 ( 0.360 -6.408 7.167) 9.621 6.554 ( -0.807 8.834 -1.959) 9.084 7.475 ( 1.757 8.666 4.046) 9.724 7.720 ( 7.762 7.134 -7.331) 12.841 8.106 ( -0.219 6.962 2.744) 7.487 8.187 ( -4.431 -5.485 9.510) 11.839 8.752 ( 3.993 4.947 8.601) 10.695 9.308 ( 14.418 0.413 -6.407) 15.783 9.695 ( -18.250 -4.987 -2.001) 19.025 9.928 ( 10.482 4.962 16.312) 20.015 10.813 ( 4.693 -12.941 0.115) 13.766 12.321 ( 3.385 12.330 -10.730) 16.692 12.391 ( -1.763 13.741 -4.085) 14.444 13.297 ( 7.994 -6.033 -0.200) 10.017 14.194 ( -5.200 -12.108 -10.072) 16.586 14.485 ( 5.590 -9.566 -0.876) 11.114 14.958 ( -0.995 1.454 -9.415) 9.579 15.925 ( -17.863 -14.767 18.878) 29.892 18.169 ( -3.374 -5.548 -26.711) 27.489 18.982 ( -15.502 1.052 -1.140) 15.579 19.380 ( 3.467 2.155 -8.113) 9.081 20.426 ( -8.611 3.899 13.669) 16.619 20.758 ( 30.779 -7.248 11.732) 33.727 24.007 ( -1.024 5.986 -1.182) 6.187 24.187 ( -0.262 3.224 -5.890) 6.720 ======================= Grid point 220 (112/230) ======================= q-point: ( 0.10 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 5.907 17.649 9.129) 20.729 2.315 ( 1.732 19.268 18.535) 26.792 3.007 ( 2.814 2.818 11.076) 11.770 3.392 ( 4.433 -10.319 1.653) 11.352 3.598 ( -1.801 -13.849 14.319) 20.002 3.939 ( -8.115 7.906 -9.723) 14.930 3.975 ( 2.883 15.881 7.127) 17.644 4.373 ( 1.851 7.338 -5.576) 9.400 4.934 ( 1.655 -5.685 3.640) 6.951 5.212 ( 3.003 2.681 -2.476) 4.726 5.253 ( -2.937 -4.857 8.144) 9.927 5.634 ( 6.602 -6.584 4.078) 10.177 6.545 ( 0.176 8.295 -2.149) 8.571 7.476 ( -3.301 7.450 4.644) 9.379 7.812 ( 4.453 7.282 -9.956) 13.114 8.089 ( -1.546 1.117 5.156) 5.497 8.186 ( 1.074 5.384 10.917) 12.220 8.823 ( 0.603 7.669 8.290) 11.309 9.335 ( -17.342 -6.711 -2.401) 18.750 9.595 ( 15.855 1.198 -7.003) 17.374 10.316 ( 24.308 0.389 17.388) 29.889 10.943 ( 8.230 -11.385 -0.681) 14.064 12.227 ( -6.814 14.338 -9.032) 18.264 12.488 ( 9.225 10.208 -5.886) 14.965 13.387 ( 0.548 -7.831 1.823) 8.059 14.018 ( -10.277 -10.615 -11.800) 18.908 14.583 ( 4.257 -11.527 -0.407) 12.294 14.894 ( -2.719 2.301 -7.792) 8.568 15.749 ( -3.562 -7.661 14.964) 17.185 17.999 ( -4.860 -3.386 -20.641) 21.474 18.810 ( -5.627 -1.149 1.404) 5.912 19.384 ( -1.020 3.027 -5.245) 6.141 20.228 ( -14.254 6.686 9.845) 18.568 21.392 ( 31.231 -15.123 5.807) 35.183 23.939 ( -5.771 4.954 -1.964) 7.856 24.134 ( -3.356 2.116 -5.105) 6.465 ======================= Grid point 221 (113/230) ======================= q-point: ( 0.20 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -0.341 18.194 10.789) 21.155 2.437 ( 7.833 12.963 11.948) 19.291 3.090 ( 3.020 -2.137 4.425) 5.768 3.440 ( 2.112 -11.075 -6.178) 12.857 3.597 ( -4.241 -14.221 10.990) 18.466 3.770 ( -6.127 4.173 -3.902) 8.378 4.121 ( 8.408 15.832 5.757) 18.828 4.338 ( -3.236 6.955 -6.004) 9.742 4.916 ( -3.432 -8.744 -2.146) 9.636 5.251 ( 1.980 -3.501 10.486) 11.231 5.314 ( 6.592 6.090 0.788) 9.009 5.764 ( 5.307 -5.498 2.757) 8.124 6.549 ( 0.849 8.520 -1.284) 8.657 7.375 ( -7.656 2.931 4.993) 9.599 7.849 ( 1.416 7.734 -9.963) 12.692 8.107 ( 0.545 -0.776 6.180) 6.252 8.198 ( -2.741 11.648 10.450) 15.887 8.830 ( -1.898 6.786 6.527) 9.604 9.093 ( -4.432 -4.313 0.881) 6.247 9.853 ( 12.185 0.084 -6.656) 13.885 10.843 ( 23.663 1.596 17.014) 29.188 11.094 ( 7.921 -9.962 -5.630) 13.917 12.067 ( -6.957 17.146 -10.281) 21.168 12.669 ( 10.507 5.819 -2.915) 12.360 13.317 ( -8.566 -4.584 7.720) 12.410 13.757 ( -13.448 -12.649 -12.939) 22.544 14.629 ( 0.754 -7.767 -1.366) 7.923 14.857 ( 0.657 0.546 -3.320) 3.428 15.875 ( 13.737 -1.865 5.739) 15.004 17.945 ( 3.039 -6.238 -11.486) 13.419 18.692 ( -7.785 -1.404 -0.063) 7.910 19.341 ( -1.862 2.418 -1.887) 3.588 19.945 ( -17.262 9.602 7.488) 21.124 21.941 ( 25.243 -18.716 -0.134) 31.425 23.774 ( -10.696 2.886 -3.814) 11.717 24.054 ( -3.627 1.141 -3.693) 5.300 ======================= Grid point 222 (114/230) ======================= q-point: ( 0.30 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 1.861 12.321 9.613) 15.738 2.633 ( 9.816 9.085 5.880) 14.610 3.120 ( -1.089 -5.100 -0.442) 5.233 3.393 ( -8.226 -8.680 3.998) 12.609 3.548 ( 2.736 -8.127 -7.709) 11.531 3.674 ( -5.863 -1.852 2.052) 6.481 4.124 ( -5.897 3.438 -18.089) 19.334 4.357 ( 3.456 7.349 0.555) 8.140 4.874 ( 1.702 -4.365 3.012) 5.569 5.330 ( 3.061 -5.299 12.028) 13.495 5.471 ( 8.412 9.244 4.217) 13.191 5.831 ( 0.582 -3.261 3.592) 4.887 6.581 ( 3.051 9.649 -0.220) 10.122 7.242 ( -6.944 -0.037 6.125) 9.260 7.779 ( -7.020 6.577 -8.802) 13.039 8.066 ( -5.746 0.591 8.226) 10.051 8.186 ( -0.390 7.887 4.719) 9.199 8.821 ( 1.713 8.790 4.826) 10.173 9.197 ( 11.789 0.134 6.453) 13.441 10.018 ( 6.524 -1.139 -4.643) 8.088 11.075 ( -1.083 -4.086 -7.032) 8.205 11.345 ( 16.840 1.627 9.844) 19.574 11.932 ( -4.396 17.301 -10.009) 20.465 12.867 ( 10.340 0.434 0.966) 10.395 13.131 ( -12.545 0.020 10.597) 16.422 13.463 ( -13.539 -14.160 -12.390) 23.180 14.624 ( -0.351 -1.689 -1.502) 2.287 14.879 ( 1.193 -3.574 -0.416) 3.791 16.267 ( 25.777 2.248 -1.788) 25.937 18.031 ( 6.933 -6.224 -6.980) 11.641 18.514 ( -9.777 -0.662 -0.072) 9.799 19.326 ( 0.427 -0.673 1.552) 1.744 19.612 ( -19.117 11.456 7.380) 23.477 22.354 ( 18.579 -19.135 -5.697) 27.273 23.524 ( -13.696 -0.093 -4.691) 14.478 23.985 ( -2.688 0.869 -3.239) 4.298 ======================= Grid point 223 (115/230) ======================= q-point: ( 0.40 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 4.736 3.025 6.148) 8.329 2.802 ( 4.354 7.977 -0.307) 9.093 3.024 ( -6.472 -8.074 0.326) 10.353 3.273 ( -4.803 -4.049 5.319) 8.231 3.490 ( -10.979 -4.901 -4.357) 12.788 3.630 ( 4.888 0.999 -7.934) 9.372 3.983 ( -2.524 -4.708 -18.507) 19.263 4.326 ( -3.410 -3.331 -12.797) 13.656 5.020 ( 9.524 2.497 11.367) 15.039 5.415 ( 2.759 -1.515 10.702) 11.155 5.628 ( 5.932 5.863 7.489) 11.209 5.795 ( -5.369 -0.164 5.817) 7.918 6.676 ( 6.800 10.360 0.680) 12.410 7.152 ( -4.195 -1.413 7.226) 8.474 7.576 ( -10.515 4.102 -8.462) 14.107 7.963 ( -7.006 4.092 10.003) 12.880 8.199 ( 1.369 1.143 -0.796) 1.953 8.908 ( 4.168 11.908 9.925) 16.053 9.487 ( 14.791 3.494 3.751) 15.654 10.095 ( 3.246 -1.828 -0.640) 3.780 10.929 ( -10.083 -1.321 -14.773) 17.935 11.626 ( 9.920 6.418 10.215) 15.619 11.836 ( -4.003 12.941 -9.358) 16.464 12.881 ( -15.435 -2.695 6.169) 16.839 13.073 ( 10.113 -7.184 3.757) 12.961 13.218 ( -8.775 -6.599 -7.671) 13.394 14.623 ( 0.724 1.117 -0.711) 1.509 14.886 ( -0.513 -4.934 0.742) 5.015 16.810 ( 30.978 7.275 -5.454) 32.285 18.067 ( -4.843 -0.705 -7.779) 9.190 18.426 ( 3.898 -1.517 2.136) 4.697 19.178 ( -20.687 7.166 0.545) 21.900 19.446 ( 3.887 -1.686 13.707) 14.347 22.575 ( 4.010 -18.171 -15.354) 24.125 23.297 ( -6.025 -2.804 -0.225) 6.649 23.933 ( -1.855 0.985 -3.933) 4.458 ======================= Grid point 224 (116/230) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 0.496 -6.340 3.424) 7.223 2.683 ( -11.010 4.851 1.226) 12.094 3.002 ( -3.834 -2.239 -6.587) 7.944 3.148 ( -5.397 -0.510 -6.266) 8.285 3.337 ( -1.620 -4.272 2.040) 5.003 3.713 ( 5.530 4.409 -5.486) 8.950 3.964 ( 4.584 -11.114 -12.053) 17.024 4.239 ( -1.494 -4.656 -15.047) 15.822 5.207 ( 5.775 3.425 9.376) 11.532 5.470 ( -0.249 2.534 8.561) 8.931 5.636 ( -8.206 1.489 7.865) 11.463 5.760 ( 2.272 2.811 9.232) 9.914 6.831 ( 8.597 9.249 2.162) 12.811 7.102 ( -3.600 -2.920 7.304) 8.650 7.384 ( -6.382 3.641 -9.375) 11.911 7.862 ( -5.586 3.599 9.779) 11.823 8.234 ( 2.603 -1.161 -1.689) 3.313 8.995 ( 1.700 12.146 12.721) 17.671 9.648 ( -0.975 4.116 0.744) 4.295 10.210 ( 9.404 -0.001 2.531) 9.739 10.663 ( -13.142 1.949 -14.312) 19.528 11.675 ( -8.022 -1.976 -7.758) 11.334 11.831 ( 7.453 18.634 4.970) 20.675 12.601 ( -13.370 -4.841 0.959) 14.252 13.054 ( -6.739 -3.255 -2.029) 7.754 13.300 ( 11.557 -10.070 3.120) 15.643 14.647 ( 1.713 1.306 -0.750) 2.281 14.868 ( -1.371 -3.981 1.297) 4.406 17.390 ( 30.219 12.471 -6.224) 33.278 17.871 ( -11.085 2.698 -7.922) 13.890 18.594 ( 5.639 4.106 2.506) 7.412 18.761 ( -16.849 0.275 2.012) 16.971 19.633 ( 10.681 -6.433 18.081) 21.963 22.370 ( -17.986 -16.857 -23.057) 33.753 23.365 ( 10.163 -4.182 3.030) 11.400 23.895 ( -0.893 1.299 -5.116) 5.353 ======================= Grid point 225 (117/230) ======================= q-point: (-0.40 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -12.853 -3.045 5.284) 14.227 2.516 ( -10.602 8.718 -1.411) 13.799 2.805 ( -5.883 -4.535 -7.745) 10.731 3.136 ( 1.341 -6.284 -8.166) 10.391 3.383 ( 4.909 -0.357 3.128) 5.832 3.822 ( 6.701 4.663 -1.815) 8.363 4.101 ( 11.358 -9.344 -5.616) 15.743 4.192 ( -0.246 -4.232 -14.396) 15.007 5.214 ( -8.199 5.560 4.829) 11.020 5.424 ( -5.359 7.543 12.537) 15.582 5.539 ( -3.232 -2.616 3.441) 5.398 5.809 ( -0.202 0.772 9.446) 9.479 7.001 ( 8.282 6.337 4.107) 11.208 7.020 ( -6.603 -5.682 5.067) 10.078 7.306 ( 0.156 6.196 -9.268) 11.149 7.811 ( -1.792 2.620 9.508) 10.024 8.285 ( 2.882 -2.814 -2.143) 4.563 9.023 ( -2.035 11.240 12.280) 16.771 9.498 ( -12.646 1.857 2.590) 13.041 10.366 ( -5.341 3.408 -0.279) 6.342 10.401 ( -1.750 4.244 -7.966) 9.194 11.440 ( -13.613 -6.054 -9.653) 17.752 12.013 ( 10.514 18.967 2.955) 21.886 12.408 ( -6.628 1.330 -1.861) 7.012 12.936 ( -5.007 -4.092 -0.320) 6.474 13.538 ( 12.710 -14.168 1.959) 19.134 14.661 ( -0.697 -0.953 -1.534) 1.936 14.858 ( 0.632 -0.977 1.019) 1.547 17.626 ( -13.950 6.730 -6.137) 16.660 17.864 ( 15.748 11.867 -5.544) 20.483 18.351 ( -7.433 -1.978 1.347) 7.809 18.909 ( 14.119 1.386 2.947) 14.490 19.917 ( 13.305 -6.655 22.195) 26.720 21.877 ( -26.429 -17.169 -25.344) 40.442 23.594 ( 11.732 -1.838 1.589) 11.981 23.884 ( 1.447 1.786 -6.072) 6.493 ======================= Grid point 226 (118/230) ======================= q-point: (-0.30 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -10.309 7.100 7.451) 14.567 2.248 ( -14.274 13.285 0.197) 19.500 2.777 ( 2.019 -8.537 -1.192) 8.853 3.128 ( -1.045 -8.668 -1.035) 8.791 3.532 ( 10.336 4.768 -1.354) 11.464 3.948 ( 6.003 3.466 -1.564) 7.106 4.132 ( -2.402 1.538 -8.466) 8.934 4.339 ( 12.291 -9.953 -4.762) 16.517 5.002 ( -11.925 5.668 4.660) 14.002 5.333 ( -7.822 7.472 10.468) 15.053 5.476 ( -4.441 -4.903 1.764) 6.846 5.785 ( -4.569 -0.792 8.426) 9.618 6.883 ( -8.433 -4.654 3.089) 10.115 7.170 ( 8.412 3.990 3.920) 10.102 7.317 ( 2.637 7.749 -7.626) 11.187 7.849 ( 3.419 1.764 8.933) 9.727 8.318 ( 0.689 -4.459 -2.861) 5.343 8.974 ( -5.643 9.414 9.636) 14.605 9.252 ( -12.487 0.480 3.682) 13.028 10.126 ( -12.331 10.006 0.963) 15.909 10.408 ( -3.364 1.703 -2.205) 4.368 11.142 ( -14.113 -11.098 -9.267) 20.204 12.225 ( 9.436 19.756 -3.769) 22.215 12.330 ( -0.313 9.421 -1.338) 9.520 12.879 ( -0.657 -6.899 1.762) 7.151 13.792 ( 13.524 -16.916 -0.984) 21.680 14.608 ( -4.109 -2.523 -1.650) 5.096 14.896 ( 2.780 0.954 -1.136) 3.151 17.247 ( -24.739 4.612 1.531) 25.212 17.915 ( 1.157 -7.755 -5.317) 9.474 18.570 ( 20.995 8.078 -4.523) 22.945 19.192 ( 14.291 3.285 5.000) 15.492 20.214 ( 11.112 -3.875 23.532) 26.311 21.259 ( -31.582 -15.816 -26.001) 43.859 23.787 ( 7.868 2.060 -0.313) 8.139 23.939 ( 6.071 1.956 -5.652) 8.522 ======================= Grid point 227 (119/230) ======================= q-point: (-0.20 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -2.373 17.660 11.391) 21.148 2.031 ( -8.776 15.369 7.389) 19.179 2.854 ( 5.310 -9.799 5.748) 12.540 3.092 ( -3.127 -5.053 6.496) 8.804 3.752 ( 12.130 6.820 -3.077) 14.252 3.960 ( -3.904 3.102 -5.722) 7.590 4.111 ( 1.191 4.073 -0.869) 4.331 4.448 ( -1.515 1.484 -4.858) 5.301 4.891 ( 0.182 -3.571 2.929) 4.622 5.202 ( -6.412 3.983 9.566) 12.186 5.373 ( -6.674 -6.237 1.115) 9.202 5.685 ( -7.428 -1.863 8.999) 11.817 6.725 ( -8.109 1.994 0.883) 8.397 7.333 ( 5.748 5.867 6.362) 10.390 7.377 ( 7.333 5.041 -8.657) 12.415 7.974 ( 6.914 1.504 8.164) 10.804 8.286 ( -3.250 -5.033 -2.075) 6.340 8.866 ( -8.181 6.338 9.503) 14.050 9.080 ( -4.578 0.609 -0.713) 4.673 9.925 ( -9.382 12.593 8.615) 17.911 10.269 ( -10.178 -0.135 -1.806) 10.338 10.895 ( -8.954 -14.084 -6.727) 17.994 12.256 ( 0.589 13.728 -11.306) 17.794 12.429 ( 4.865 18.101 0.715) 18.757 12.938 ( 6.493 -6.858 2.583) 9.791 14.039 ( 12.532 -18.618 -4.205) 22.833 14.513 ( -5.021 -2.346 -1.836) 5.839 14.944 ( 2.659 1.121 -4.098) 5.012 16.753 ( -26.908 -5.648 9.074) 28.953 18.006 ( 9.347 -11.589 -10.098) 17.991 18.948 ( 18.772 6.909 -6.900) 21.160 19.468 ( 12.232 2.967 5.854) 13.881 20.396 ( -2.686 -0.337 15.530) 15.764 20.605 ( -24.249 -10.016 -14.221) 29.843 23.907 ( 5.523 5.021 -1.792) 7.676 24.063 ( 7.111 2.633 -4.766) 8.957 ======================= Grid point 228 (120/230) ======================= q-point: (-0.10 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -1.590 17.605 11.160) 20.904 2.032 ( 5.159 22.377 17.336) 28.773 2.969 ( 1.272 -7.387 11.320) 13.577 3.082 ( 2.950 -2.082 12.787) 13.287 3.784 ( -7.226 -4.623 -0.028) 8.578 4.014 ( 7.756 13.625 -1.351) 15.736 4.084 ( -2.087 8.503 -2.869) 9.213 4.350 ( -4.547 5.691 -8.868) 11.476 4.890 ( -2.279 -2.465 5.410) 6.367 5.197 ( 1.807 -7.273 1.683) 7.681 5.254 ( -4.020 -2.369 6.034) 7.628 5.578 ( -5.389 -3.564 9.611) 11.581 6.602 ( -4.343 7.743 -0.783) 8.912 7.414 ( 3.218 7.358 3.318) 8.689 7.553 ( 10.592 5.590 -5.055) 13.000 8.101 ( 2.531 4.542 3.789) 6.434 8.223 ( -2.115 -6.257 4.759) 8.140 8.731 ( -5.767 3.392 9.307) 11.462 9.105 ( 7.386 0.875 -4.973) 8.947 9.830 ( -2.675 10.771 13.504) 17.479 10.022 ( -15.063 -2.732 -1.673) 15.400 10.783 ( -1.600 -14.220 -2.611) 14.546 12.263 ( 3.291 13.852 -11.343) 18.204 12.454 ( -1.560 14.722 -2.172) 14.963 13.114 ( 10.259 -4.706 1.071) 11.337 14.220 ( 6.338 -19.178 -7.571) 21.570 14.431 ( -1.679 -2.142 -1.369) 3.046 14.971 ( 1.479 1.079 -7.299) 7.525 16.292 ( -24.019 -14.048 15.403) 31.804 18.164 ( 8.587 -10.674 -17.876) 22.522 19.213 ( 8.520 4.020 -7.863) 12.271 19.461 ( -17.288 -2.123 -11.622) 20.939 20.238 ( 10.926 0.842 10.695) 15.312 20.528 ( -2.401 0.701 15.792) 15.989 23.989 ( 3.075 6.139 -1.445) 7.016 24.163 ( 4.158 3.445 -5.458) 7.678 ======================= Grid point 229 (121/230) ======================= q-point: ( 0.00 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 5.116 11.549 5.734) 13.872 2.618 ( 1.592 17.518 16.439) 24.076 2.885 ( 5.318 -5.456 15.035) 16.855 3.050 ( 6.627 -13.557 14.899) 21.206 3.546 ( -10.909 -1.078 2.899) 11.339 4.111 ( -4.704 0.928 -12.095) 13.011 4.301 ( 2.153 8.124 5.122) 9.842 4.508 ( -0.524 9.376 -4.916) 10.600 4.871 ( -2.160 -1.856 4.234) 5.103 5.028 ( 3.948 -3.564 -0.856) 5.387 5.299 ( 2.857 0.376 7.683) 8.205 5.377 ( -2.510 -7.676 7.817) 11.240 6.677 ( -0.698 3.219 -3.436) 4.760 7.675 ( 2.628 10.533 6.421) 12.612 7.805 ( 6.749 -0.069 -2.037) 7.050 8.036 ( -4.931 -6.814 1.015) 8.472 8.237 ( 3.396 4.102 6.067) 8.073 8.827 ( 8.288 2.160 8.277) 11.910 9.294 ( 11.854 -1.090 -4.604) 12.763 9.622 ( -16.805 -1.941 -2.655) 17.124 10.055 ( 2.946 5.655 12.837) 14.333 10.586 ( 6.562 -7.987 6.395) 12.155 12.484 ( 1.547 4.019 -5.863) 7.275 12.662 ( -1.881 10.824 -3.516) 11.535 13.181 ( 5.768 -5.140 -2.709) 8.187 13.937 ( -0.113 -9.328 -11.555) 14.851 14.383 ( 1.321 -1.870 -0.989) 2.494 14.979 ( -0.623 0.595 -9.584) 9.622 15.736 ( -14.822 -4.562 15.052) 21.611 18.090 ( 1.235 -2.131 -29.786) 29.888 18.997 ( -16.886 0.386 -1.517) 16.958 19.407 ( 4.620 0.629 -9.444) 10.533 20.490 ( -6.948 2.078 13.180) 15.043 20.656 ( 24.126 -2.903 13.945) 28.017 24.109 ( -1.780 3.772 -0.948) 4.277 24.201 ( -0.735 -1.015 -3.694) 3.901 ======================= Grid point 230 (122/230) ======================= q-point: ( 0.10 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 6.136 11.212 3.972) 13.384 2.654 ( -1.280 11.389 17.502) 20.920 3.005 ( 3.266 -0.483 9.201) 9.776 3.204 ( 5.181 -10.628 12.792) 17.419 3.364 ( -8.205 -5.591 4.403) 10.862 3.975 ( -6.152 0.521 -9.590) 11.405 4.374 ( 3.214 15.654 4.108) 16.501 4.472 ( -1.395 2.966 -4.408) 5.493 4.829 ( -1.477 -6.065 4.095) 7.465 5.087 ( -1.318 -4.441 2.316) 5.179 5.331 ( 4.686 3.911 2.312) 6.527 5.487 ( 8.024 -6.506 6.149) 12.022 6.668 ( 0.520 3.451 -2.593) 4.348 7.627 ( -9.785 6.582 6.883) 13.654 7.909 ( 5.250 1.657 -4.283) 6.975 7.990 ( 1.696 -5.467 -1.044) 5.818 8.342 ( 4.150 5.613 11.752) 13.669 8.960 ( 2.016 4.702 3.927) 6.449 9.224 ( -15.377 -3.711 -1.198) 15.863 9.612 ( 13.887 0.362 -5.535) 14.954 10.337 ( 22.170 1.133 17.224) 28.098 10.757 ( 9.197 -5.809 4.936) 11.945 12.476 ( -1.627 8.051 -5.917) 10.123 12.645 ( 1.587 5.618 -3.269) 6.691 13.243 ( 1.288 -6.048 -1.923) 6.476 13.821 ( -8.687 -6.661 -12.349) 16.502 14.437 ( 4.026 -3.201 -0.558) 5.174 14.923 ( -2.428 0.671 -8.295) 8.669 15.643 ( 1.787 -2.734 11.435) 11.892 17.954 ( -5.251 -1.103 -25.625) 26.181 18.794 ( -6.624 -0.406 1.640) 6.836 19.425 ( -0.511 1.007 -6.795) 6.888 20.330 ( -11.950 2.977 9.945) 15.829 21.181 ( 26.335 -5.653 8.934) 28.378 24.019 ( -7.353 2.612 -2.062) 8.071 24.143 ( -3.861 -0.500 -2.815) 4.804 ======================= Grid point 231 (123/230) ======================= q-point: ( 0.20 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 0.107 10.656 4.369) 11.518 2.687 ( 2.116 10.466 13.655) 17.334 3.060 ( 1.130 -0.754 5.253) 5.426 3.256 ( -0.978 -5.758 -3.656) 6.891 3.283 ( -2.333 -13.624 9.876) 16.988 3.854 ( -4.619 2.692 -3.661) 6.480 4.375 ( -4.376 6.985 -11.182) 13.892 4.439 ( -0.441 2.393 -4.029) 4.706 4.852 ( 1.372 4.358 5.874) 7.442 5.061 ( 1.145 -11.349 9.489) 14.838 5.480 ( 8.405 6.815 2.108) 11.024 5.648 ( 6.791 -5.581 5.519) 10.379 6.687 ( 1.991 4.243 -0.758) 4.748 7.417 ( -12.045 1.273 6.002) 13.518 7.961 ( -0.052 2.792 -4.737) 5.499 8.030 ( 1.103 -3.515 -1.944) 4.166 8.404 ( -1.554 6.383 11.064) 12.867 8.963 ( -1.014 4.791 1.440) 5.104 9.030 ( -1.266 -2.028 3.648) 4.362 9.847 ( 10.779 -0.460 -4.037) 11.519 10.869 ( 24.427 1.175 17.150) 29.870 10.933 ( 9.508 -5.163 -0.329) 10.824 12.401 ( -4.255 14.465 -5.946) 16.208 12.693 ( 3.382 -3.706 -1.133) 5.143 13.231 ( -1.872 -3.570 0.295) 4.042 13.561 ( -15.157 -5.441 -10.693) 19.330 14.520 ( 4.478 -2.672 -0.525) 5.241 14.868 ( -1.487 0.254 -5.774) 5.968 15.848 ( 17.281 -0.761 4.318) 17.829 17.862 ( 1.717 -2.077 -16.106) 16.330 18.672 ( -7.299 -0.518 -0.527) 7.337 19.372 ( -3.147 0.762 -2.815) 4.291 20.091 ( -15.241 4.215 8.088) 17.761 21.672 ( 23.216 -7.335 3.160) 24.551 23.817 ( -12.959 1.188 -3.874) 13.578 24.061 ( -3.801 -0.040 -2.141) 4.363 ======================= Grid point 232 (124/230) ======================= q-point: ( 0.30 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -4.454 9.470 6.162) 12.144 2.797 ( 6.053 6.096 7.329) 11.292 3.069 ( -2.428 0.281 0.510) 2.496 3.160 ( -6.522 -10.914 5.324) 13.784 3.324 ( 5.351 -8.696 -8.156) 13.068 3.767 ( -4.562 4.508 -1.051) 6.499 4.207 ( -8.539 4.624 -17.304) 19.843 4.350 ( -6.274 -5.744 -16.532) 18.592 4.933 ( 6.007 7.992 11.828) 15.487 5.190 ( 7.143 -7.895 15.876) 19.115 5.631 ( 6.328 6.251 3.488) 9.554 5.757 ( 2.882 -3.969 5.809) 7.603 6.748 ( 4.514 5.563 0.810) 7.210 7.230 ( -8.688 -0.811 6.382) 10.810 7.827 ( -11.579 -1.102 -2.610) 11.921 8.042 ( 0.389 -0.036 -2.517) 2.547 8.336 ( -5.876 4.679 1.326) 7.627 9.005 ( 4.323 7.028 6.141) 10.285 9.188 ( 14.580 -1.154 7.009) 16.219 9.993 ( 5.188 -1.064 -1.043) 5.398 10.993 ( 0.625 -2.795 -9.707) 10.121 11.366 ( 19.231 0.576 15.309) 24.587 12.289 ( -6.188 15.859 -4.335) 17.566 12.758 ( 3.225 -9.958 0.387) 10.474 13.161 ( -9.950 2.655 2.768) 10.664 13.246 ( -10.187 -6.790 -6.848) 14.028 14.596 ( 3.425 -0.738 -0.698) 3.572 14.834 ( -1.015 -1.115 -3.728) 4.021 16.305 ( 29.530 1.146 -2.204) 29.635 17.939 ( 8.598 -2.563 -10.069) 13.487 18.507 ( -9.100 -0.127 -1.211) 9.181 19.316 ( -2.070 -0.292 1.398) 2.515 19.784 ( -19.012 4.900 8.000) 21.200 22.073 ( 18.262 -7.808 -2.591) 20.029 23.522 ( -15.927 -0.078 -4.661) 16.595 23.994 ( -2.632 0.156 -2.652) 3.739 ======================= Grid point 233 (125/230) ======================= q-point: ( 0.40 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -4.904 3.419 4.707) 7.609 2.893 ( -6.229 -4.083 5.757) 9.413 2.965 ( 3.136 7.052 -3.848) 8.624 3.126 ( -0.457 -6.977 1.604) 7.174 3.395 ( 2.862 -4.193 -10.775) 11.911 3.656 ( -6.084 0.799 -4.576) 7.655 4.012 ( -5.444 6.854 -19.206) 21.107 4.190 ( -4.660 -9.255 -16.673) 19.631 5.110 ( 8.309 4.564 12.936) 16.038 5.362 ( 6.209 -3.013 16.195) 17.604 5.727 ( 1.458 3.694 6.258) 7.411 5.779 ( -1.261 -1.417 6.180) 6.464 6.864 ( 7.052 6.855 1.472) 9.944 7.121 ( -4.452 -1.508 6.662) 8.154 7.578 ( -12.352 -2.132 -3.793) 13.096 8.005 ( -5.104 0.937 7.229) 8.899 8.247 ( -1.145 2.370 -11.776) 12.066 9.109 ( 3.628 6.200 11.345) 13.428 9.538 ( 17.190 1.359 6.064) 18.279 10.061 ( 3.202 -1.221 2.060) 3.998 10.898 ( -6.796 -1.138 -16.474) 17.858 11.658 ( 7.152 0.079 8.259) 10.925 12.164 ( -4.996 14.548 0.970) 15.412 12.717 ( -10.464 -11.385 -7.048) 16.994 12.984 ( -0.649 -0.664 11.311) 11.349 13.149 ( -3.979 -1.627 -3.202) 5.360 14.644 ( 1.816 0.749 -0.756) 2.105 14.814 ( -0.266 -2.032 -1.893) 2.790 16.927 ( 35.589 3.517 -6.512) 36.351 18.044 ( 0.206 -1.075 -10.003) 10.063 18.406 ( 2.839 -0.455 2.056) 3.535 19.259 ( -11.342 1.129 -0.878) 11.432 19.455 ( -10.762 1.592 15.558) 18.985 22.301 ( 4.440 -7.723 -11.778) 14.767 23.260 ( -7.509 -0.924 -0.769) 7.605 23.945 ( -1.678 0.254 -4.046) 4.387 ======================= Grid point 234 (126/230) ======================= q-point: (-0.50 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -5.060 -2.361 4.087) 6.920 2.733 ( -7.523 0.426 0.779) 7.575 3.001 ( -4.539 1.074 -10.056) 11.085 3.118 ( -0.448 -2.010 -3.174) 3.783 3.358 ( -1.088 7.647 -4.953) 9.175 3.591 ( 2.465 -13.419 -6.518) 15.121 3.953 ( 2.790 7.245 -13.748) 15.788 4.125 ( 1.734 -6.940 -14.485) 16.155 5.278 ( 5.583 2.683 10.459) 12.156 5.487 ( 2.772 -0.301 12.993) 13.289 5.655 ( -8.773 0.535 9.730) 13.112 5.803 ( 0.544 1.268 6.972) 7.107 6.992 ( 4.564 4.831 2.262) 7.020 7.073 ( -3.137 0.546 6.258) 7.022 7.387 ( -4.746 -2.221 -5.375) 7.506 7.908 ( -6.176 1.097 10.161) 11.942 8.231 ( 2.205 0.593 -14.412) 14.592 9.182 ( 0.622 5.291 13.501) 14.514 9.707 ( -3.228 1.539 6.244) 7.195 10.213 ( 12.256 0.143 2.030) 12.424 10.688 ( -9.814 0.572 -17.097) 19.722 11.621 ( -11.017 -1.899 -1.842) 11.331 12.179 ( 5.288 13.899 7.071) 16.467 12.496 ( -7.792 -6.220 -3.043) 10.424 13.019 ( -5.417 0.309 -1.478) 5.623 13.112 ( 5.593 -7.291 6.541) 11.280 14.661 ( -0.003 0.077 -0.709) 0.714 14.819 ( 1.306 -0.941 -0.939) 1.863 17.590 ( 34.446 6.132 -9.236) 36.186 17.903 ( -8.601 0.527 -9.881) 13.110 18.618 ( 14.828 -0.305 3.985) 15.357 18.804 ( -29.930 2.215 2.565) 30.122 19.531 ( 8.478 -3.043 18.432) 20.516 22.116 ( -17.792 -7.156 -20.178) 27.838 23.311 ( 10.546 -1.318 3.431) 11.168 23.911 ( -0.594 0.333 -5.597) 5.639 ======================= Grid point 235 (127/230) ======================= q-point: (-0.40 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -3.548 -0.577 5.791) 6.816 2.625 ( -3.982 0.828 -1.852) 4.469 2.783 ( -12.403 2.572 -12.468) 17.773 3.029 ( -5.568 -3.627 -5.210) 8.443 3.455 ( 9.750 8.123 0.313) 12.694 3.704 ( 9.250 -14.252 -1.059) 17.023 4.016 ( 6.487 2.743 -12.023) 13.934 4.162 ( 4.595 -1.701 -12.937) 13.833 5.330 ( -4.652 5.664 5.937) 9.432 5.456 ( -7.316 -5.029 4.312) 9.870 5.556 ( -3.450 4.380 15.807) 16.762 5.804 ( -2.639 -0.746 8.610) 9.036 6.945 ( -7.319 -1.839 2.425) 7.926 7.103 ( 4.227 3.166 4.745) 7.099 7.393 ( 4.634 2.063 -5.508) 7.488 7.841 ( -3.044 0.478 10.117) 10.576 8.245 ( 2.250 -0.817 -12.072) 12.307 9.190 ( -3.315 4.589 13.577) 14.710 9.524 ( -14.774 0.677 5.702) 15.850 10.402 ( 3.085 0.795 2.129) 3.832 10.492 ( -4.828 3.260 -13.253) 14.477 11.311 ( -19.268 -4.635 -3.412) 20.109 12.342 ( 9.987 11.976 2.370) 15.773 12.444 ( 2.116 0.536 0.386) 2.217 12.876 ( -7.360 -1.352 -4.326) 8.644 13.275 ( 8.932 -9.764 5.323) 14.264 14.636 ( -2.409 -0.993 -0.724) 2.705 14.859 ( 2.906 0.379 -1.306) 3.208 17.731 ( -6.467 3.249 -9.838) 12.213 18.038 ( -9.147 4.205 -4.729) 11.123 18.328 ( 4.144 0.162 -2.028) 4.616 18.929 ( 15.692 0.429 5.749) 16.717 19.805 ( 14.377 -3.521 22.470) 26.907 21.632 ( -26.064 -6.587 -22.136) 34.824 23.570 ( 14.032 -0.575 2.556) 14.275 23.904 ( 1.674 0.399 -6.583) 6.805 ======================= Grid point 236 (128/230) ======================= q-point: (-0.30 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 0.524 8.025 8.698) 11.846 2.503 ( -9.699 10.270 -6.658) 15.616 2.603 ( -1.351 -7.475 -2.085) 7.877 2.934 ( -3.816 -8.827 2.266) 9.880 3.676 ( 12.299 9.534 0.134) 15.562 3.899 ( 10.200 -9.433 0.544) 13.904 4.124 ( 6.818 -0.370 -13.033) 14.713 4.221 ( 5.002 -1.172 -8.080) 9.575 5.126 ( -13.575 5.267 1.938) 14.689 5.356 ( -6.517 -5.128 2.116) 8.558 5.492 ( -7.182 6.218 14.832) 17.613 5.736 ( -6.703 -3.223 9.025) 11.695 6.827 ( -4.938 -1.235 1.290) 5.251 7.224 ( 7.581 1.422 2.945) 8.257 7.468 ( 3.748 5.473 -3.590) 7.542 7.849 ( 1.410 -1.246 10.117) 10.291 8.250 ( 0.703 -1.713 -9.313) 9.496 9.113 ( -7.922 4.003 11.877) 14.827 9.252 ( -13.184 -0.355 4.116) 13.816 10.314 ( -6.573 6.473 -0.367) 9.232 10.445 ( -3.794 2.321 -4.195) 6.114 10.914 ( -20.285 -9.155 -2.480) 22.393 12.493 ( 3.891 9.351 -5.787) 11.665 12.586 ( 12.380 8.513 3.085) 15.338 12.749 ( -4.294 -3.766 -2.589) 6.271 13.474 ( 11.147 -12.057 0.413) 16.425 14.570 ( -4.174 -1.083 -0.853) 4.396 14.914 ( 3.174 0.617 -2.701) 4.213 17.365 ( -34.932 5.555 4.254) 35.626 17.745 ( 0.360 -7.149 -9.856) 12.181 18.709 ( 22.024 4.373 -10.553) 24.810 19.235 ( 14.590 1.000 7.234) 16.316 20.147 ( 14.264 -2.215 23.804) 27.839 21.046 ( -29.314 -5.308 -21.129) 36.524 23.822 ( 11.271 1.116 1.179) 11.387 23.954 ( 5.351 0.004 -6.336) 8.294 ======================= Grid point 237 (129/230) ======================= q-point: (-0.20 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -1.920 11.505 7.057) 13.632 2.378 ( 1.150 17.772 2.296) 17.956 2.642 ( 4.234 -10.738 7.862) 13.966 2.889 ( -2.220 -12.377 8.098) 14.957 3.835 ( 1.075 1.686 -0.123) 2.004 4.085 ( 10.594 7.368 -2.733) 13.191 4.187 ( 3.332 4.164 -8.138) 9.730 4.348 ( 8.216 -9.469 -4.364) 13.274 4.912 ( -7.044 3.091 -1.874) 7.917 5.198 ( -9.569 -3.848 0.162) 10.314 5.370 ( -8.736 5.484 15.319) 18.468 5.603 ( -8.968 -5.177 9.476) 14.037 6.758 ( -2.719 0.962 -0.759) 2.982 7.406 ( 10.582 1.700 2.249) 10.951 7.523 ( 3.114 6.831 -0.996) 7.574 7.937 ( 4.910 -4.004 9.713) 11.596 8.226 ( -0.975 -0.738 -6.537) 6.651 8.951 ( -11.674 2.136 10.814) 16.056 9.085 ( -3.959 0.021 0.217) 3.965 10.176 ( -8.917 8.258 1.181) 12.211 10.302 ( -10.273 6.893 0.721) 12.392 10.588 ( -11.531 -15.851 -0.105) 19.601 12.501 ( -0.559 10.095 -7.798) 12.768 12.711 ( -0.077 2.564 -0.088) 2.567 12.834 ( 12.235 1.816 -0.342) 12.373 13.694 ( 11.945 -12.719 -4.972) 18.143 14.481 ( -4.610 -0.844 -1.095) 4.813 14.961 ( 2.614 0.522 -4.752) 5.449 16.694 ( -34.916 -1.029 9.290) 36.145 17.832 ( 10.233 -4.889 -14.453) 18.371 19.050 ( 16.352 2.878 -11.081) 19.961 19.500 ( 9.715 0.495 4.549) 10.739 20.405 ( -0.948 1.269 13.830) 13.920 20.465 ( -17.179 -4.317 -5.130) 18.441 23.996 ( 7.155 3.584 -0.641) 8.028 24.070 ( 7.305 -1.311 -4.477) 8.667 ======================= Grid point 238 (130/230) ======================= q-point: (-0.10 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 0.407 11.171 5.115) 12.293 2.498 ( 6.433 22.631 12.536) 26.659 2.766 ( 4.231 -9.046 15.796) 18.688 2.910 ( 3.117 -15.695 11.617) 19.774 3.738 ( -8.980 -0.213 1.022) 9.041 4.191 ( -0.498 2.493 -9.987) 10.305 4.253 ( 4.219 7.772 1.381) 8.951 4.466 ( 5.721 3.815 -5.367) 8.723 4.869 ( 0.859 0.039 -0.037) 0.860 5.040 ( -5.111 -5.514 -1.375) 7.643 5.267 ( -4.357 2.464 14.046) 14.911 5.465 ( -7.382 -6.126 9.762) 13.687 6.710 ( -1.877 2.763 -2.731) 4.315 7.582 ( 4.704 7.711 5.606) 10.630 7.637 ( 10.633 2.002 -1.764) 10.962 8.050 ( 3.280 -6.377 6.460) 9.652 8.202 ( 0.137 2.202 -1.658) 2.760 8.772 ( -6.721 0.900 9.988) 12.072 9.111 ( 6.632 -0.064 -3.206) 7.366 9.949 ( -15.018 -0.503 -2.060) 15.167 10.105 ( -9.077 11.149 8.148) 16.525 10.499 ( 0.557 -12.706 4.089) 13.359 12.476 ( 0.397 6.364 -6.926) 9.414 12.702 ( -1.143 8.196 -1.835) 8.476 13.040 ( 9.455 -2.110 -1.899) 9.872 13.879 ( 8.302 -11.728 -9.003) 16.957 14.402 ( -2.845 -0.758 -1.291) 3.215 14.988 ( 1.592 0.489 -7.362) 7.548 16.116 ( -27.532 -4.139 13.021) 30.735 18.014 ( 11.476 -3.940 -21.560) 24.740 19.278 ( 9.445 2.158 -10.401) 14.214 19.421 ( -18.357 -1.532 -10.657) 21.282 20.254 ( 9.460 0.552 12.348) 15.565 20.538 ( -0.489 0.267 16.870) 16.879 24.096 ( 3.242 4.233 -0.803) 5.392 24.176 ( 4.236 -1.366 -3.994) 5.981 ======================= Grid point 279 (131/230) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -6.292 0.000 22.821) 23.673 1.771 ( 3.166 0.000 22.567) 22.788 3.045 ( 9.297 0.000 0.008) 9.297 3.223 ( 2.602 0.000 -14.246) 14.482 3.603 ( -2.021 0.000 33.471) 33.532 3.816 ( 6.629 0.000 2.482) 7.079 4.112 ( 0.063 0.000 -8.364) 8.364 4.353 ( 2.482 0.000 18.196) 18.365 4.967 ( -10.270 0.000 2.525) 10.576 5.355 ( -1.001 0.000 -6.519) 6.596 5.519 ( 1.736 0.000 7.191) 7.398 5.626 ( 3.788 0.000 4.795) 6.111 6.279 ( -7.201 0.000 7.871) 10.668 7.042 ( 7.040 0.000 -15.356) 16.893 7.368 ( -1.184 0.000 8.330) 8.414 7.893 ( -5.449 0.000 -6.040) 8.134 8.231 ( -9.856 0.000 11.432) 15.094 8.948 ( 13.289 0.000 -11.764) 17.748 9.038 ( 8.209 0.000 20.736) 22.302 10.010 ( -12.109 0.000 -2.956) 12.465 10.207 ( 18.596 0.000 1.579) 18.663 10.524 ( -5.346 0.000 -11.270) 12.474 11.610 ( -1.549 0.000 -8.534) 8.674 11.627 ( 8.677 0.000 -7.390) 11.397 13.743 ( 10.763 0.000 6.102) 12.373 14.334 ( -5.540 0.000 -11.053) 12.363 14.766 ( -3.783 0.000 1.527) 4.080 14.886 ( 8.826 0.000 -6.400) 10.902 17.834 ( -65.339 0.000 1.857) 65.366 17.962 ( 22.960 0.000 -0.190) 22.960 19.008 ( 0.060 0.000 2.567) 2.568 19.139 ( -0.184 0.000 -1.490) 1.502 20.508 ( -23.769 0.000 14.184) 27.680 21.350 ( 53.249 0.000 -10.871) 54.347 23.410 ( 3.258 0.000 3.466) 4.756 23.659 ( -0.619 0.000 -3.947) 3.996 ======================= Grid point 280 (132/230) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 5.609 0.000 23.021) 23.694 1.938 ( 9.264 0.000 16.896) 19.268 3.198 ( 6.574 0.000 -8.101) 10.433 3.227 ( 1.253 0.000 -16.548) 16.596 3.758 ( 8.773 0.000 39.999) 40.949 3.837 ( -2.657 0.000 -2.465) 3.625 4.084 ( -0.848 0.000 -6.321) 6.378 4.548 ( 11.525 0.000 21.472) 24.369 4.747 ( -13.194 0.000 4.210) 13.849 5.282 ( -4.445 0.000 -9.192) 10.210 5.575 ( 2.270 0.000 3.632) 4.283 5.750 ( 6.994 0.000 -0.211) 6.997 6.214 ( -2.105 0.000 5.631) 6.012 7.149 ( 7.501 0.000 -13.188) 15.172 7.362 ( -1.449 0.000 11.020) 11.115 7.789 ( -3.844 0.000 -4.898) 6.226 8.086 ( -7.365 0.000 9.147) 11.744 9.190 ( 12.834 0.000 -9.609) 16.033 9.213 ( 4.180 0.000 25.532) 25.872 9.737 ( -12.269 0.000 -8.646) 15.010 10.453 ( 0.181 0.000 -11.307) 11.308 10.640 ( 25.578 0.000 -5.767) 26.220 11.496 ( -7.874 0.000 -10.856) 13.411 11.824 ( 13.365 0.000 -6.714) 14.957 13.959 ( 9.019 0.000 3.759) 9.771 14.195 ( -6.305 0.000 -14.223) 15.558 14.657 ( -8.160 0.000 -0.715) 8.191 15.020 ( 6.426 0.000 -3.113) 7.140 16.778 ( -43.915 0.000 20.045) 48.273 18.427 ( 24.253 0.000 8.096) 25.568 18.948 ( -7.137 0.000 2.669) 7.619 19.100 ( -3.524 0.000 -1.708) 3.916 20.020 ( -29.038 0.000 6.889) 29.844 22.188 ( 37.283 0.000 -23.337) 43.985 23.500 ( 5.038 0.000 3.104) 5.918 23.632 ( -1.192 0.000 -5.031) 5.171 ======================= Grid point 281 (133/230) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 14.292 0.000 20.723) 25.173 2.189 ( 13.106 0.000 11.483) 17.425 3.183 ( -1.516 0.000 -18.468) 18.530 3.249 ( -0.008 0.000 -3.139) 3.139 3.762 ( -3.670 0.000 -3.732) 5.234 4.053 ( 5.520 0.000 -10.784) 12.115 4.086 ( 9.627 0.000 32.147) 33.558 4.480 ( -15.560 0.000 9.480) 18.220 4.851 ( 14.003 0.000 16.203) 21.415 5.166 ( -4.742 0.000 -9.789) 10.877 5.608 ( 0.308 0.000 1.011) 1.057 5.844 ( 2.820 0.000 -2.992) 4.111 6.200 ( -0.919 0.000 3.680) 3.793 7.248 ( 4.991 0.000 -10.301) 11.447 7.376 ( -0.052 0.000 14.257) 14.257 7.724 ( -1.975 0.000 -3.124) 3.696 8.005 ( -3.308 0.000 9.749) 10.295 9.257 ( -4.832 0.000 -4.258) 6.440 9.324 ( 1.015 0.000 28.129) 28.147 9.671 ( 9.890 0.000 -15.576) 18.451 10.459 ( 2.927 0.000 -10.533) 10.932 11.097 ( 22.195 0.000 -8.037) 23.605 11.272 ( -11.754 0.000 -11.467) 16.421 12.096 ( 16.873 0.000 -9.844) 19.535 13.988 ( -10.691 0.000 9.117) 14.051 14.009 ( -9.785 0.000 -15.229) 18.101 14.526 ( -1.280 0.000 -1.568) 2.024 15.118 ( 4.305 0.000 -0.954) 4.410 16.310 ( -11.289 0.000 19.331) 22.386 18.746 ( -14.645 0.000 2.559) 14.866 18.897 ( 19.480 0.000 17.740) 26.348 19.006 ( -5.423 0.000 -2.261) 5.876 19.487 ( -24.317 0.000 -0.729) 24.328 22.659 ( 19.001 0.000 -28.375) 34.149 23.593 ( -1.334 0.000 -5.149) 5.319 23.606 ( 5.170 0.000 1.855) 5.493 ======================= Grid point 282 (134/230) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 17.951 0.000 16.945) 24.685 2.484 ( 15.260 0.000 7.003) 16.790 3.090 ( -3.037 0.000 -18.890) 19.133 3.172 ( -7.834 0.000 0.918) 7.888 3.689 ( -3.222 0.000 -3.553) 4.797 4.066 ( 1.028 0.000 -7.486) 7.556 4.200 ( -16.124 0.000 11.734) 19.942 4.397 ( 12.653 0.000 10.133) 16.211 5.086 ( -0.567 0.000 -5.674) 5.703 5.145 ( 12.748 0.000 12.268) 17.692 5.590 ( -2.073 0.000 -0.425) 2.117 5.828 ( -4.340 0.000 -2.097) 4.820 6.212 ( 2.271 0.000 3.889) 4.504 7.256 ( -2.484 0.000 -7.563) 7.960 7.430 ( 1.924 0.000 15.571) 15.689 7.703 ( 0.373 0.000 -0.426) 0.567 8.005 ( 0.384 0.000 12.305) 12.311 9.168 ( -0.579 0.000 -7.642) 7.663 9.389 ( -1.334 0.000 29.562) 29.592 9.876 ( 12.551 0.000 -13.300) 18.287 10.510 ( 4.862 0.000 -9.110) 10.326 10.972 ( -14.793 0.000 -11.694) 18.857 11.454 ( 14.644 0.000 -6.088) 15.859 12.405 ( 18.001 0.000 -16.237) 24.242 13.691 ( -18.612 0.000 13.982) 23.279 13.751 ( -13.242 0.000 -12.463) 18.184 14.581 ( 4.500 0.000 0.741) 4.560 15.174 ( 1.516 0.000 -0.274) 1.540 16.337 ( 7.874 0.000 10.816) 13.378 18.405 ( -21.075 0.000 0.040) 21.075 18.876 ( -19.924 0.000 7.137) 21.164 18.896 ( -5.150 0.000 -3.156) 6.040 19.503 ( 20.224 0.000 14.315) 24.778 22.806 ( 4.450 0.000 -30.459) 30.783 23.571 ( 0.470 0.000 -4.086) 4.113 23.695 ( 3.527 0.000 0.313) 3.541 ======================= Grid point 283 (135/230) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 13.304 0.000 7.055) 15.059 2.796 ( 14.928 0.000 2.720) 15.173 2.966 ( -12.459 0.000 0.717) 12.480 3.019 ( 1.707 0.000 -12.185) 12.304 3.609 ( -5.560 0.000 3.201) 6.415 3.936 ( -13.409 0.000 9.223) 16.275 4.018 ( -5.608 0.000 -3.956) 6.863 4.584 ( 7.104 0.000 -9.266) 11.676 5.143 ( 6.133 0.000 2.334) 6.562 5.376 ( 7.936 0.000 6.787) 10.442 5.543 ( -1.818 0.000 0.296) 1.842 5.680 ( -9.826 0.000 1.999) 10.027 6.325 ( 8.275 0.000 4.263) 9.309 7.129 ( -8.073 0.000 -6.280) 10.228 7.517 ( 3.177 0.000 14.705) 15.044 7.734 ( 2.355 0.000 2.524) 3.452 8.065 ( 2.005 0.000 14.852) 14.987 9.200 ( 5.182 0.000 -11.814) 12.900 9.412 ( -3.745 0.000 29.220) 29.459 10.052 ( 8.677 0.000 -11.278) 14.229 10.600 ( 6.382 0.000 -6.273) 8.949 10.658 ( -14.998 0.000 -9.405) 17.703 11.620 ( 3.781 0.000 -3.313) 5.027 12.648 ( 9.905 0.000 -26.331) 28.132 13.431 ( -11.270 0.000 12.541) 16.861 13.503 ( -7.597 0.000 -4.158) 8.660 14.663 ( 3.314 0.000 4.495) 5.585 15.170 ( -1.813 0.000 -0.639) 1.922 16.598 ( 16.400 0.000 6.413) 17.610 17.972 ( -22.559 0.000 -4.716) 23.046 18.562 ( -12.937 0.000 4.772) 13.789 18.808 ( -2.794 0.000 -4.092) 4.955 19.947 ( 20.025 0.000 22.696) 30.267 22.713 ( -5.653 0.000 -32.535) 33.022 23.591 ( 2.278 0.000 -2.774) 3.590 23.733 ( 0.423 0.000 -1.064) 1.145 ======================= Grid point 284 (136/230) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -18.186 0.000 0.120) 18.187 2.799 ( 2.085 0.000 -8.392) 8.647 3.117 ( 3.431 0.000 -2.409) 4.192 3.133 ( 16.323 0.000 -2.896) 16.578 3.485 ( -8.988 0.000 22.382) 24.120 3.791 ( -0.988 0.000 -0.669) 1.193 3.834 ( -12.259 0.000 0.027) 12.259 4.632 ( -0.146 0.000 -12.509) 12.510 5.252 ( 2.853 0.000 2.985) 4.129 5.412 ( -3.198 0.000 1.016) 3.356 5.543 ( -3.085 0.000 5.487) 6.295 5.588 ( 4.081 0.000 3.573) 5.424 6.528 ( 11.313 0.000 4.368) 12.127 6.962 ( -6.706 0.000 -6.879) 9.607 7.609 ( 2.583 0.000 12.243) 12.512 7.795 ( 3.169 0.000 3.550) 4.759 8.134 ( 1.014 0.000 15.564) 15.597 9.256 ( 2.707 0.000 -14.565) 14.814 9.375 ( -7.221 0.000 25.102) 26.120 10.158 ( 5.385 0.000 -10.140) 11.481 10.372 ( -12.905 0.000 -2.641) 13.172 10.716 ( 6.585 0.000 -2.998) 7.235 11.602 ( -4.089 0.000 -1.079) 4.229 12.563 ( -10.628 0.000 -27.810) 29.772 13.316 ( -4.015 0.000 9.253) 10.086 13.546 ( 11.756 0.000 -2.327) 11.984 14.733 ( 2.647 0.000 7.130) 7.606 15.104 ( -4.741 0.000 -1.547) 4.987 16.974 ( 20.987 0.000 7.073) 22.147 17.559 ( -18.110 0.000 -8.907) 20.182 18.419 ( -3.300 0.000 5.308) 6.250 18.781 ( 1.339 0.000 -4.356) 4.557 20.354 ( 16.136 0.000 26.497) 31.024 22.452 ( -13.015 0.000 -35.934) 38.218 23.634 ( 2.503 0.000 -1.529) 2.933 23.704 ( -3.095 0.000 -1.929) 3.647 ======================= Grid point 285 (137/230) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -19.492 0.000 1.876) 19.582 2.819 ( -0.915 0.000 -1.829) 2.045 2.983 ( -11.347 0.000 3.903) 12.000 3.363 ( 3.759 0.000 -7.854) 8.707 3.415 ( -4.106 0.000 7.014) 8.127 3.628 ( -4.303 0.000 5.086) 6.662 3.914 ( 11.116 0.000 6.951) 13.110 4.493 ( -11.498 0.000 -5.575) 12.779 5.304 ( 3.617 0.000 3.305) 4.899 5.338 ( -4.381 0.000 1.864) 4.761 5.568 ( 2.084 0.000 2.640) 3.363 5.637 ( -0.160 0.000 3.630) 3.633 6.753 ( 10.447 0.000 4.168) 11.247 6.862 ( -1.583 0.000 -9.724) 9.852 7.646 ( -2.172 0.000 7.436) 7.747 7.869 ( 3.875 0.000 2.078) 4.397 8.170 ( -0.741 0.000 15.360) 15.378 9.205 ( -4.473 0.000 -14.517) 15.191 9.251 ( -10.874 0.000 17.905) 20.948 10.161 ( -10.005 0.000 7.893) 12.744 10.219 ( 3.460 0.000 -8.770) 9.428 10.822 ( 4.647 0.000 -1.064) 4.767 11.507 ( -4.429 0.000 -0.232) 4.436 12.228 ( -16.130 0.000 -21.907) 27.205 13.301 ( -0.060 0.000 7.576) 7.576 13.833 ( 17.555 0.000 -6.621) 18.763 14.796 ( 1.903 0.000 8.288) 8.504 14.987 ( -6.804 0.000 -3.061) 7.461 17.268 ( -9.110 0.000 -11.510) 14.679 17.434 ( 25.219 0.000 10.500) 27.317 18.451 ( 4.776 0.000 5.219) 7.074 18.845 ( 6.344 0.000 -3.226) 7.117 20.680 ( 10.943 0.000 28.281) 30.324 22.040 ( -20.929 0.000 -40.263) 45.378 23.613 ( -5.589 0.000 -1.999) 5.936 23.673 ( 1.684 0.000 -0.840) 1.882 ======================= Grid point 286 (138/230) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -16.022 0.000 9.205) 18.478 2.556 ( -21.537 0.000 12.910) 25.110 3.017 ( 8.730 0.000 1.833) 8.921 3.195 ( -13.277 0.000 2.148) 13.450 3.345 ( -2.978 0.000 -2.909) 4.163 3.742 ( 8.067 0.000 -1.863) 8.279 4.151 ( 9.944 0.000 9.373) 13.665 4.232 ( -13.109 0.000 0.504) 13.118 5.260 ( -4.200 0.000 2.570) 4.924 5.407 ( 5.669 0.000 3.242) 6.530 5.581 ( -1.519 0.000 0.063) 1.520 5.608 ( -3.673 0.000 6.175) 7.185 6.848 ( 2.669 0.000 -13.553) 13.813 6.911 ( 3.773 0.000 2.799) 4.698 7.527 ( -10.999 0.000 2.637) 11.311 7.952 ( 4.542 0.000 -1.158) 4.688 8.211 ( 1.776 0.000 17.512) 17.602 9.032 ( -9.356 0.000 -12.733) 15.801 9.067 ( -11.767 0.000 13.234) 17.709 10.014 ( -8.287 0.000 14.108) 16.362 10.247 ( 1.320 0.000 -6.442) 6.576 10.877 ( 0.971 0.000 -0.033) 0.971 11.467 ( 0.705 0.000 0.041) 0.706 11.885 ( -13.978 0.000 -19.205) 23.754 13.340 ( 2.148 0.000 7.764) 8.055 14.150 ( 17.000 0.000 -7.679) 18.654 14.835 ( -7.814 0.000 -5.721) 9.685 14.838 ( 0.310 0.000 8.037) 8.043 17.172 ( 2.118 0.000 -12.014) 12.199 17.999 ( 31.032 0.000 13.169) 33.711 18.601 ( 9.019 0.000 4.377) 10.025 19.008 ( 11.224 0.000 -0.137) 11.225 20.895 ( 4.259 0.000 28.124) 28.444 21.440 ( -32.071 0.000 -43.404) 53.967 23.496 ( -5.873 0.000 -1.108) 5.976 23.692 ( 0.537 0.000 -0.963) 1.103 ======================= Grid point 287 (139/230) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -8.167 0.000 19.713) 21.338 2.171 ( -21.541 0.000 16.758) 27.292 2.981 ( -9.001 0.000 6.897) 11.340 3.186 ( 5.172 0.000 -3.342) 6.158 3.349 ( 6.926 0.000 2.828) 7.481 3.776 ( -6.444 0.000 8.989) 11.060 4.090 ( 0.210 0.000 -6.702) 6.706 4.304 ( 3.441 0.000 9.271) 9.889 5.194 ( -3.480 0.000 1.929) 3.978 5.508 ( -5.451 0.000 -1.300) 5.604 5.514 ( 4.140 0.000 3.641) 5.513 5.542 ( -4.734 0.000 9.439) 10.560 6.815 ( -15.146 0.000 0.792) 15.167 6.887 ( 4.909 0.000 -16.116) 16.847 7.365 ( -3.954 0.000 6.250) 7.396 8.022 ( 2.688 0.000 -4.554) 5.288 8.320 ( 3.775 0.000 20.460) 20.805 8.836 ( -6.510 0.000 -11.235) 12.985 8.885 ( -9.118 0.000 10.157) 13.649 9.925 ( -3.874 0.000 14.159) 14.679 10.236 ( -1.234 0.000 -3.849) 4.042 10.847 ( -4.537 0.000 -0.515) 4.567 11.523 ( 4.572 0.000 -1.231) 4.735 11.630 ( -7.334 0.000 -17.674) 19.135 13.420 ( 4.248 0.000 8.641) 9.629 14.429 ( 12.739 0.000 -4.529) 13.521 14.675 ( -5.762 0.000 -11.109) 12.514 14.844 ( -1.500 0.000 6.603) 6.771 17.285 ( 12.049 0.000 -10.355) 15.888 18.627 ( 27.817 0.000 6.813) 28.640 18.789 ( 9.089 0.000 3.373) 9.694 19.309 ( 21.210 0.000 6.729) 22.252 20.603 ( -43.290 0.000 -39.288) 58.460 20.961 ( -4.438 0.000 25.625) 26.007 23.401 ( -3.625 0.000 0.625) 3.679 23.690 ( -0.260 0.000 -1.684) 1.704 ======================= Grid point 288 (140/230) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -1.781 0.000 24.968) 25.032 1.844 ( -16.398 0.000 20.110) 25.948 2.919 ( 1.196 0.000 7.991) 8.080 3.209 ( 1.787 0.000 -11.359) 11.499 3.591 ( 13.392 0.000 8.515) 15.870 3.646 ( -8.244 0.000 20.257) 21.871 4.113 ( 2.306 0.000 -10.367) 10.621 4.335 ( -1.908 0.000 11.486) 11.643 5.116 ( -5.719 0.000 1.049) 5.814 5.399 ( -4.110 0.000 -1.636) 4.424 5.496 ( -1.925 0.000 10.311) 10.489 5.578 ( 1.569 0.000 4.086) 4.377 6.484 ( -16.343 0.000 6.332) 17.527 6.954 ( 6.120 0.000 -16.556) 17.651 7.361 ( -0.127 0.000 7.421) 7.423 8.002 ( -3.462 0.000 -6.218) 7.117 8.366 ( -5.789 0.000 17.847) 18.762 8.789 ( 4.983 0.000 -11.286) 12.337 8.850 ( 4.346 0.000 12.803) 13.520 9.962 ( 5.565 0.000 9.959) 11.409 10.174 ( -4.963 0.000 -1.982) 5.344 10.699 ( -9.269 0.000 -6.245) 11.176 11.543 ( 1.960 0.000 -12.335) 12.490 11.602 ( 3.574 0.000 -4.732) 5.930 13.550 ( 7.351 0.000 8.538) 11.266 14.467 ( -5.827 0.000 -5.648) 8.115 14.713 ( 10.940 0.000 -11.245) 15.689 14.817 ( -2.538 0.000 4.339) 5.027 17.566 ( 18.960 0.000 -6.483) 20.037 18.879 ( -13.342 0.000 -7.720) 15.415 18.943 ( 5.798 0.000 2.732) 6.409 19.279 ( -32.591 0.000 -10.814) 34.338 20.357 ( 42.612 0.000 -0.404) 42.614 20.836 ( -14.577 0.000 20.734) 25.345 23.369 ( 0.048 0.000 2.507) 2.507 23.677 ( -0.488 0.000 -2.724) 2.767 ======================= Grid point 289 (141/230) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 0.254 8.169 21.003) 22.537 1.935 ( -1.209 13.715 21.901) 25.869 3.003 ( 5.108 -1.262 -1.263) 5.411 3.366 ( 4.809 10.877 -14.106) 18.451 3.655 ( -1.088 3.765 26.950) 27.233 3.774 ( 4.291 -2.156 7.883) 9.230 4.080 ( -0.497 -1.890 -6.783) 7.059 4.327 ( 3.071 -3.468 17.957) 18.545 4.989 ( -7.162 1.904 1.019) 7.480 5.305 ( -1.351 -4.865 -6.702) 8.391 5.523 ( 0.526 0.043 7.470) 7.489 5.666 ( 2.242 3.481 5.103) 6.572 6.308 ( -5.815 3.047 6.732) 9.403 7.082 ( 6.784 3.982 -14.742) 16.709 7.427 ( -0.213 5.619 8.287) 10.014 7.909 ( -4.494 2.113 -4.059) 6.414 8.312 ( -9.928 6.938 10.222) 15.849 8.872 ( 9.856 -4.623 0.952) 10.928 9.101 ( 10.963 3.933 6.259) 13.222 9.919 ( -12.908 -8.088 -5.083) 16.058 10.156 ( 14.803 -1.247 6.851) 16.359 10.736 ( -0.693 13.538 -13.800) 19.344 11.550 ( 4.608 1.821 -5.598) 7.476 11.786 ( 1.630 9.671 -8.933) 13.266 13.692 ( 10.056 -5.046 6.698) 13.094 14.303 ( -6.467 -3.277 -10.380) 12.661 14.761 ( -3.580 -0.359 -0.762) 3.677 14.828 ( 9.012 -5.793 -5.605) 12.091 17.406 ( -28.510 -29.554 13.183) 43.128 18.043 ( -8.161 -2.377 -10.055) 13.166 18.989 ( -3.817 -1.081 2.633) 4.761 19.171 ( 2.383 2.273 -2.806) 4.326 20.538 ( -21.854 2.808 13.479) 25.829 21.227 ( 47.529 -9.918 -6.083) 48.932 23.596 ( 2.975 15.339 -1.166) 15.668 23.714 ( -0.650 5.174 -3.172) 6.104 ======================= Grid point 290 (142/230) ======================= q-point: ( 0.10 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 4.134 10.294 20.568) 23.369 2.047 ( 8.097 10.416 16.825) 21.381 3.092 ( 4.654 -3.479 -8.520) 10.313 3.394 ( 1.133 8.890 -13.700) 16.371 3.752 ( 1.828 -1.319 15.887) 16.046 3.816 ( 2.106 -1.610 11.812) 12.106 4.049 ( -0.913 -0.421 1.698) 1.973 4.513 ( 8.650 -4.729 21.529) 23.678 4.831 ( -8.189 7.750 0.376) 11.281 5.243 ( -3.257 -4.538 -9.295) 10.844 5.552 ( 0.896 -1.758 4.778) 5.169 5.761 ( 5.854 1.130 1.642) 6.184 6.259 ( -1.495 4.240 4.139) 6.111 7.182 ( 6.861 3.505 -11.835) 14.122 7.435 ( -0.915 6.473 8.882) 11.029 7.831 ( -2.540 4.663 -2.904) 6.052 8.166 ( -7.260 7.206 8.800) 13.493 9.062 ( 8.029 -7.016 9.234) 14.105 9.303 ( 6.262 4.118 2.806) 8.002 9.645 ( -9.928 -8.126 -7.692) 14.959 10.497 ( 15.040 3.407 1.327) 15.478 10.773 ( 10.922 10.620 -15.695) 21.873 11.506 ( -7.390 2.545 -9.545) 12.337 11.905 ( 12.566 7.739 -6.857) 16.273 13.887 ( 7.346 -6.964 4.781) 11.195 14.145 ( -7.635 -5.121 -12.444) 15.472 14.657 ( -6.714 0.182 -3.243) 7.458 14.970 ( 6.741 -5.044 -2.443) 8.767 16.664 ( -36.808 -10.647 21.076) 43.731 18.255 ( 17.510 -15.219 3.676) 23.489 18.900 ( -6.461 -2.555 1.268) 7.063 19.177 ( -0.730 4.777 -0.980) 4.931 20.091 ( -26.676 6.492 7.068) 28.350 22.008 ( 35.627 -15.109 -16.469) 42.057 23.624 ( -0.707 8.567 -2.061) 8.840 23.710 ( 1.744 8.348 -3.394) 9.179 ======================= Grid point 291 (143/230) ======================= q-point: ( 0.20 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 9.586 4.640 18.177) 21.067 2.293 ( 13.130 8.810 12.948) 20.437 3.127 ( 1.276 -1.875 -11.329) 11.553 3.342 ( -3.704 5.154 -8.921) 10.949 3.715 ( -3.338 -4.262 -2.163) 5.829 3.928 ( 3.976 -8.715 -8.293) 12.670 4.135 ( 6.473 4.349 25.363) 26.534 4.515 ( -12.178 -0.805 14.455) 18.918 4.869 ( 9.509 3.011 5.635) 11.457 5.169 ( -0.599 -0.383 -6.980) 7.016 5.571 ( -0.027 -2.542 2.694) 3.704 5.855 ( 3.263 0.842 -0.737) 3.450 6.250 ( -0.572 4.668 2.573) 5.361 7.274 ( 4.627 2.896 -7.182) 9.021 7.434 ( -1.535 4.607 7.832) 9.215 7.803 ( -0.176 8.215 0.158) 8.219 8.085 ( -3.344 7.355 9.674) 12.604 9.176 ( -6.481 -11.054 8.356) 15.298 9.247 ( 1.109 -1.860 3.860) 4.426 9.694 ( 11.868 1.334 -5.889) 13.315 10.643 ( 4.711 15.765 -8.522) 18.529 11.096 ( 19.948 -0.417 -8.113) 21.539 11.284 ( -11.182 2.112 -11.420) 16.122 12.174 ( 16.573 7.599 -8.956) 20.313 13.904 ( -9.875 -7.952 9.861) 16.062 13.936 ( -10.363 -7.004 -13.929) 18.720 14.553 ( -1.007 2.274 -3.014) 3.907 15.073 ( 4.344 -4.594 -0.696) 6.361 16.277 ( -9.058 -3.034 18.753) 21.045 18.512 ( 2.535 -21.467 7.814) 22.985 18.761 ( -6.389 -1.838 -0.516) 6.668 19.208 ( 6.608 7.292 5.016) 11.046 19.590 ( -25.732 10.077 1.630) 27.683 22.499 ( 20.862 -14.192 -22.672) 33.921 23.570 ( -3.436 1.672 -2.634) 4.641 23.750 ( 2.507 8.595 -2.893) 9.409 ======================= Grid point 292 (144/230) ======================= q-point: ( 0.30 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 14.119 -2.132 13.920) 19.941 2.585 ( 14.008 6.410 9.802) 18.259 3.091 ( -1.252 1.318 -13.882) 14.001 3.208 ( -8.696 2.660 -3.679) 9.810 3.643 ( -3.637 -4.386 -3.623) 6.752 3.968 ( 2.557 -8.946 -9.100) 13.015 4.167 ( -11.155 -2.197 6.001) 12.856 4.418 ( 1.564 -0.109 14.228) 14.314 4.993 ( 4.154 -3.512 0.836) 5.503 5.272 ( 10.249 6.660 3.982) 12.855 5.562 ( -1.298 -1.143 1.878) 2.553 5.866 ( -2.423 2.788 -0.351) 3.710 6.263 ( 2.108 4.954 3.224) 6.275 7.298 ( -1.763 4.028 -6.715) 8.027 7.417 ( -1.233 -0.751 10.411) 10.510 7.814 ( 0.640 10.183 3.094) 10.661 8.087 ( 0.721 7.479 11.965) 14.129 9.039 ( -3.333 -11.618 -4.700) 12.969 9.360 ( 4.091 -0.950 18.022) 18.505 9.913 ( 11.347 2.185 -5.536) 12.813 10.706 ( 4.555 17.075 -10.393) 20.501 10.975 ( -14.593 1.128 -10.533) 18.032 11.458 ( 15.042 0.306 -5.727) 16.098 12.471 ( 16.788 6.543 -14.661) 23.229 13.624 ( -16.950 -6.397 9.564) 20.486 13.694 ( -13.139 -5.683 -7.498) 16.160 14.591 ( 3.567 0.876 0.399) 3.695 15.129 ( 1.585 -4.411 -0.257) 4.694 16.333 ( 9.123 -0.262 10.643) 14.020 18.340 ( -16.747 -7.012 -0.063) 18.156 18.663 ( -6.109 -8.495 1.446) 10.562 19.148 ( -19.278 12.690 -0.016) 23.080 19.500 ( 18.520 0.179 14.563) 23.560 22.704 ( 6.927 -9.911 -27.805) 30.321 23.511 ( -1.549 -3.091 -0.946) 3.584 23.779 ( 1.121 5.411 -2.784) 6.188 ======================= Grid point 293 (145/230) ======================= q-point: ( 0.40 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 13.404 -6.442 7.533) 16.671 2.818 ( 5.008 -0.471 2.736) 5.726 2.993 ( -8.464 1.192 -9.507) 12.784 3.097 ( 5.116 8.153 -1.877) 9.807 3.536 ( -8.231 -6.827 0.079) 10.694 3.874 ( -11.781 -6.065 7.135) 15.049 4.024 ( -2.080 -0.474 -6.409) 6.755 4.460 ( 1.781 -10.733 -5.725) 12.294 5.120 ( 7.661 -0.284 5.173) 9.248 5.444 ( 3.495 2.720 1.379) 4.638 5.562 ( 2.605 4.937 4.978) 7.479 5.761 ( -7.801 5.851 2.264) 10.011 6.370 ( 8.127 4.566 3.945) 10.122 7.169 ( -8.443 3.936 -6.554) 11.390 7.460 ( 2.195 -4.133 12.281) 13.143 7.834 ( 0.447 8.159 4.995) 9.577 8.153 ( 2.482 7.936 13.025) 15.453 9.025 ( 1.951 -12.820 -5.393) 14.045 9.468 ( 2.346 3.718 17.133) 17.688 10.086 ( 8.045 1.993 -4.793) 9.574 10.664 ( -13.777 0.608 -10.004) 17.037 10.783 ( 4.632 17.153 -7.392) 19.244 11.637 ( 4.532 1.554 -2.819) 5.559 12.682 ( 6.967 3.365 -24.261) 25.465 13.382 ( -9.466 -4.774 10.287) 14.772 13.461 ( -7.341 -4.000 -1.607) 8.513 14.659 ( 2.812 -0.404 4.221) 5.088 15.128 ( -1.585 -4.083 -0.648) 4.427 16.620 ( 17.879 2.219 6.129) 19.030 17.971 ( -20.104 -0.244 -5.099) 20.742 18.540 ( -6.565 -1.947 3.043) 7.494 18.867 ( -9.454 5.475 -2.795) 11.277 19.915 ( 19.261 -2.934 22.063) 29.434 22.639 ( -5.760 -7.377 -31.724) 33.076 23.522 ( 2.565 -5.302 0.144) 5.891 23.775 ( -0.914 2.777 -2.900) 4.118 ======================= Grid point 294 (146/230) ======================= q-point: (-0.50 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -15.741 -0.327 0.742) 15.762 2.759 ( 2.428 -3.883 -5.225) 6.948 3.010 ( 6.539 -4.199 -4.388) 8.924 3.254 ( 0.135 2.494 -5.510) 6.049 3.359 ( -1.425 -6.505 15.444) 16.819 3.716 ( -5.812 -5.402 2.855) 8.433 3.943 ( -4.510 6.127 -0.346) 7.616 4.489 ( 2.830 -13.306 -11.396) 17.746 5.238 ( 1.697 0.464 4.318) 4.663 5.425 ( -2.863 1.057 1.282) 3.310 5.597 ( -3.716 6.133 5.880) 9.273 5.700 ( 3.129 7.635 3.573) 8.992 6.572 ( 11.358 4.374 4.136) 12.855 6.998 ( -6.802 3.437 -7.115) 10.426 7.535 ( 1.938 -6.065 11.625) 13.255 7.858 ( 0.686 4.860 5.996) 7.748 8.222 ( 1.298 7.603 11.494) 13.842 9.044 ( 0.322 -12.282 -3.898) 12.890 9.507 ( -2.570 6.609 11.950) 13.896 10.199 ( 5.022 2.706 -6.080) 8.337 10.393 ( -12.156 1.994 -1.991) 12.478 10.870 ( 5.470 14.612 -5.896) 16.679 11.635 ( -3.258 3.218 -0.154) 4.582 12.551 ( -12.150 -1.079 -24.495) 27.364 13.281 ( -4.257 -3.372 8.504) 10.090 13.522 ( 12.401 -2.349 -2.325) 12.834 14.720 ( 2.253 -1.251 6.569) 7.056 15.068 ( -4.281 -3.404 -1.362) 5.636 17.021 ( 22.180 4.615 6.059) 23.451 17.585 ( -17.630 2.422 -8.935) 19.913 18.450 ( -3.291 3.089 4.708) 6.523 18.775 ( 0.529 -0.584 -3.860) 3.940 20.316 ( 16.280 -3.667 26.158) 31.028 22.359 ( -14.834 -8.957 -34.741) 38.822 23.589 ( 3.961 -3.628 -0.011) 5.371 23.730 ( -2.954 1.801 -3.220) 4.726 ======================= Grid point 295 (147/230) ======================= q-point: (-0.40 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -18.382 2.233 1.480) 18.576 2.756 ( -7.865 -6.759 3.812) 11.048 2.909 ( -6.116 -5.396 1.269) 8.254 3.264 ( 3.268 -6.277 -1.867) 7.319 3.458 ( -0.471 1.544 -3.902) 4.222 3.654 ( 0.573 0.980 6.130) 6.234 3.948 ( 5.846 2.869 2.646) 7.029 4.467 ( -4.119 -3.613 -4.982) 7.406 5.224 ( -1.319 -3.602 5.135) 6.410 5.370 ( -3.692 1.535 1.472) 4.261 5.575 ( -0.450 2.811 4.379) 5.223 5.753 ( 0.778 7.698 3.326) 8.422 6.798 ( 10.486 4.405 4.099) 12.089 6.897 ( -1.597 3.296 -9.643) 10.315 7.557 ( -3.155 -8.132 8.647) 12.283 7.893 ( 1.638 1.970 5.654) 6.207 8.256 ( 0.217 7.303 8.832) 11.463 9.002 ( -3.980 -9.689 -2.756) 10.831 9.415 ( -9.125 7.315 6.983) 13.621 10.173 ( -8.625 1.975 3.012) 9.347 10.275 ( 1.427 3.867 -2.434) 4.787 10.943 ( 2.835 10.754 -5.063) 12.220 11.565 ( -2.912 6.100 1.953) 7.036 12.218 ( -15.446 -0.679 -19.456) 24.852 13.257 ( -0.464 -4.330 7.103) 8.332 13.807 ( 17.017 -2.621 -6.150) 18.283 14.771 ( 1.084 -2.370 7.100) 7.564 14.966 ( -5.697 -2.001 -2.331) 6.473 17.285 ( -10.436 1.862 -10.607) 14.996 17.489 ( 24.897 5.155 7.820) 26.601 18.449 ( 2.197 -0.286 4.433) 4.956 18.856 ( 8.195 1.178 -2.143) 8.552 20.648 ( 11.397 -3.101 28.035) 30.421 21.911 ( -23.090 -11.962 -37.838) 45.913 23.650 ( -2.284 2.944 -2.824) 4.675 23.664 ( 1.666 -0.634 -0.941) 2.015 ======================= Grid point 296 (148/230) ======================= q-point: (-0.30 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -14.829 4.137 8.632) 17.651 2.453 ( -19.973 -8.041 15.371) 26.455 2.993 ( 9.191 -2.174 1.928) 9.639 3.232 ( -6.583 1.739 -1.237) 6.921 3.354 ( -4.385 1.077 -3.203) 5.536 3.762 ( 6.838 1.983 -2.692) 7.612 4.102 ( 6.699 -4.077 2.589) 8.259 4.322 ( -8.955 7.390 5.653) 12.914 5.269 ( 4.223 -9.570 4.368) 11.336 5.288 ( -4.941 2.004 2.391) 5.843 5.562 ( -2.111 0.614 2.157) 3.079 5.742 ( -2.763 7.748 4.404) 9.331 6.883 ( 2.610 3.385 -12.662) 13.364 6.949 ( 2.357 3.326 2.331) 4.696 7.443 ( -9.097 -7.532 6.198) 13.338 7.950 ( 3.096 0.197 3.787) 4.895 8.299 ( 2.628 7.200 8.891) 11.739 8.885 ( -7.137 -6.468 -2.932) 10.068 9.216 ( -12.506 7.390 5.454) 15.516 10.025 ( -8.399 1.811 12.115) 14.852 10.283 ( -0.094 2.570 -4.678) 5.338 10.946 ( -0.788 5.209 -4.996) 7.260 11.556 ( 0.628 9.240 2.407) 9.569 11.909 ( -11.363 2.859 -16.740) 20.433 13.290 ( 2.071 -4.963 7.377) 9.129 14.115 ( 16.531 -3.679 -7.357) 18.464 14.760 ( -4.685 -4.606 1.526) 6.745 14.872 ( -2.542 0.748 0.489) 2.694 17.148 ( -1.004 -1.884 -10.326) 10.544 18.018 ( 28.154 1.184 9.397) 29.705 18.550 ( 6.911 -4.277 3.159) 8.719 19.063 ( 13.480 4.975 1.374) 14.434 20.867 ( 3.831 -2.696 26.741) 27.148 21.289 ( -32.312 -13.355 -38.366) 51.907 23.575 ( -2.997 6.356 -3.194) 7.719 23.711 ( 1.971 2.109 -0.831) 3.004 ======================= Grid point 297 (149/230) ======================= q-point: (-0.20 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -7.844 5.762 18.386) 20.803 2.142 ( -16.023 -1.549 19.823) 25.536 3.059 ( -8.491 6.482 2.544) 10.981 3.208 ( 9.618 1.126 1.137) 9.750 3.333 ( 3.977 -0.271 -1.951) 4.438 3.817 ( -2.615 2.960 5.153) 6.492 4.112 ( -2.310 2.073 -4.163) 5.193 4.283 ( 1.091 -0.989 10.212) 10.318 5.190 ( -5.199 -1.560 1.448) 5.618 5.382 ( 4.656 -5.712 4.608) 8.691 5.499 ( -4.528 -0.910 1.012) 4.728 5.685 ( -3.845 7.547 6.212) 10.504 6.803 ( -16.539 -1.105 2.487) 16.762 6.926 ( 4.947 3.578 -15.842) 16.977 7.363 ( -0.293 0.391 8.109) 8.124 8.013 ( 2.117 -0.171 0.223) 2.135 8.399 ( 4.427 6.064 12.966) 14.983 8.748 ( -5.059 -3.606 -3.380) 7.073 8.994 ( -10.601 6.285 3.842) 12.909 9.925 ( -4.723 1.103 14.017) 14.833 10.245 ( -2.898 -0.099 -4.190) 5.096 10.904 ( -2.580 3.398 -4.281) 6.043 11.530 ( -3.575 4.290 -6.302) 8.420 11.767 ( 0.306 11.306 -9.219) 14.592 13.371 ( 4.444 -4.937 8.329) 10.653 14.393 ( 13.793 -3.971 -5.652) 15.426 14.628 ( -6.932 -4.190 -6.720) 10.525 14.848 ( -1.501 0.266 3.000) 3.365 17.194 ( 7.675 -8.217 -7.140) 13.319 18.549 ( 20.203 -12.521 4.751) 24.238 18.718 ( 11.821 -0.740 0.887) 11.877 19.386 ( 18.733 5.834 5.738) 20.443 20.464 ( -38.290 -10.820 -31.633) 50.832 20.959 ( -4.452 -0.720 23.465) 23.894 23.534 ( -0.457 10.771 -2.346) 11.033 23.733 ( 0.654 4.371 -1.524) 4.675 ======================= Grid point 298 (150/230) ======================= q-point: (-0.10 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -4.436 5.260 21.785) 22.846 1.965 ( -7.666 9.450 23.267) 26.257 2.957 ( -1.893 4.136 3.842) 5.955 3.303 ( 4.551 8.644 -11.465) 15.063 3.536 ( 11.675 -4.864 8.329) 15.144 3.732 ( -6.662 7.681 20.146) 22.567 4.092 ( 0.900 -1.313 -9.257) 9.393 4.301 ( -1.813 -3.545 11.848) 12.499 5.097 ( -4.964 -1.821 1.118) 5.405 5.366 ( -4.321 -3.056 -3.533) 6.363 5.490 ( 1.167 -0.354 9.104) 9.186 5.648 ( -1.285 5.561 5.612) 8.004 6.485 ( -14.824 0.501 6.710) 16.279 6.995 ( 6.127 3.979 -16.076) 17.658 7.400 ( 0.988 3.810 8.014) 8.929 8.000 ( -3.134 0.421 -3.136) 4.454 8.451 ( -5.224 6.748 14.677) 16.978 8.725 ( 4.150 -3.147 -1.638) 5.460 8.920 ( 4.127 4.196 2.518) 6.402 9.937 ( 3.383 -0.622 11.571) 12.072 10.143 ( -7.116 -3.704 -3.504) 8.754 10.820 ( -4.348 8.020 -8.087) 12.191 11.481 ( 1.967 1.804 -8.104) 8.532 11.786 ( 1.799 12.180 -7.233) 14.279 13.503 ( 7.420 -4.631 8.483) 12.185 14.451 ( -6.773 -1.789 -5.646) 8.998 14.646 ( 11.311 -6.550 -8.712) 15.708 14.817 ( -2.272 -0.073 1.062) 2.509 17.383 ( 11.814 -17.107 -0.798) 20.805 18.604 ( -16.711 -21.576 -7.471) 28.295 18.989 ( 9.597 2.153 -1.766) 9.993 19.291 ( -26.020 0.299 -8.982) 27.528 20.347 ( 37.603 -0.137 1.799) 37.646 20.842 ( -13.455 0.464 19.492) 23.690 23.547 ( 2.098 14.514 -1.438) 14.735 23.731 ( -0.282 5.347 -2.283) 5.821 ======================= Grid point 299 (151/230) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 2.748 14.469 17.474) 22.852 2.252 ( 0.754 17.268 20.830) 27.067 3.034 ( 0.440 4.334 -1.547) 4.623 3.517 ( 2.559 -3.197 -6.299) 7.513 3.667 ( 5.277 6.620 -1.944) 8.686 3.906 ( -5.197 12.090 20.700) 24.529 4.072 ( 2.252 1.790 -2.524) 3.827 4.201 ( 2.646 -8.451 17.390) 19.515 5.014 ( -0.493 -0.598 0.174) 0.794 5.188 ( -3.828 -5.605 -7.935) 10.442 5.507 ( -0.841 -1.680 9.024) 9.217 5.727 ( 0.044 1.495 5.402) 5.605 6.402 ( -3.656 6.189 4.126) 8.288 7.200 ( 6.403 7.882 -13.262) 16.703 7.567 ( 1.185 7.635 7.558) 10.808 7.991 ( -1.524 6.148 -1.531) 6.517 8.439 ( -8.472 3.836 10.537) 14.054 8.818 ( 6.913 0.170 2.971) 7.526 9.170 ( 12.480 2.797 0.200) 12.791 9.742 ( -15.703 -8.762 -6.859) 19.246 10.173 ( 13.967 2.680 12.227) 18.756 10.873 ( 2.388 -0.236 -9.550) 9.847 11.755 ( 4.172 17.587 -7.187) 19.451 12.005 ( -0.960 12.403 -7.979) 14.779 13.548 ( 8.576 -9.014 7.152) 14.351 14.193 ( -8.287 -8.190 -10.368) 15.596 14.663 ( 8.552 -10.040 -3.045) 13.536 14.758 ( -2.531 0.108 -5.245) 5.825 16.805 ( -19.980 -28.320 19.984) 40.007 17.884 ( -5.905 -11.586 -17.575) 21.863 18.980 ( -7.843 0.083 1.935) 8.078 19.210 ( 4.715 1.481 -4.955) 6.998 20.607 ( -17.672 3.812 11.972) 21.683 21.038 ( 36.640 -8.013 0.067) 37.506 23.844 ( -0.312 7.261 -1.730) 7.470 23.895 ( 0.937 12.709 -4.894) 13.650 ======================= Grid point 300 (152/230) ======================= q-point: ( 0.10 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 3.019 13.732 15.760) 21.121 2.328 ( 3.889 17.046 16.886) 24.307 3.073 ( 3.511 1.267 -3.793) 5.321 3.497 ( -2.068 -1.664 -10.716) 11.039 3.676 ( -3.418 -1.636 -0.645) 3.844 3.873 ( -1.413 6.223 3.322) 7.194 4.114 ( 2.295 5.659 17.775) 18.794 4.370 ( 5.918 -8.001 18.048) 20.610 5.004 ( -1.317 8.686 -3.038) 9.296 5.096 ( -1.934 -9.398 -7.923) 12.443 5.511 ( -0.344 -2.804 7.079) 7.622 5.781 ( 4.017 0.195 3.907) 5.607 6.372 ( -0.754 6.908 2.102) 7.260 7.289 ( 5.724 7.039 -10.452) 13.840 7.576 ( -1.790 6.763 4.562) 8.352 7.987 ( 1.326 10.472 0.878) 10.592 8.323 ( -5.890 7.032 9.304) 13.066 8.950 ( 4.831 -3.422 7.232) 9.346 9.355 ( -6.792 -0.682 -4.291) 8.063 9.485 ( 5.160 -4.963 -3.427) 7.937 10.562 ( 22.522 2.966 8.873) 24.388 10.915 ( 4.908 1.676 -13.867) 14.805 11.675 ( -9.275 14.823 -10.206) 20.246 12.115 ( 12.765 12.818 -6.008) 19.061 13.699 ( 4.328 -11.270 6.498) 13.709 13.992 ( -10.201 -10.011 -11.248) 18.188 14.661 ( -3.836 -0.524 -7.001) 8.000 14.827 ( 7.040 -8.262 -0.806) 10.885 16.401 ( -21.860 -14.369 22.128) 34.263 17.914 ( 8.932 -17.004 -6.254) 20.200 18.862 ( -6.079 -1.443 1.253) 6.372 19.252 ( 1.293 2.770 -2.311) 3.832 20.246 ( -21.825 8.290 7.004) 24.375 21.690 ( 31.174 -15.251 -7.629) 35.533 23.774 ( -5.555 6.957 -2.683) 9.299 23.910 ( 0.841 9.327 -3.906) 10.147 ======================= Grid point 301 (153/230) ======================= q-point: ( 0.20 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 3.124 10.902 13.948) 17.977 2.492 ( 8.615 10.774 14.032) 19.678 3.127 ( 2.822 1.230 -5.560) 6.355 3.404 ( -4.671 0.362 -10.401) 11.408 3.593 ( -4.175 -6.635 -1.458) 7.974 3.834 ( -1.243 -0.105 -11.027) 11.098 4.212 ( -0.434 0.300 15.048) 15.057 4.413 ( -4.678 -5.579 18.979) 20.328 4.937 ( -1.674 0.577 -5.805) 6.069 5.170 ( 9.432 3.326 -0.093) 10.001 5.532 ( 0.834 -1.905 6.146) 6.488 5.868 ( 3.585 0.154 2.549) 4.402 6.373 ( 0.333 7.492 1.407) 7.630 7.356 ( 2.649 4.748 -3.918) 6.701 7.531 ( -3.041 5.239 -0.838) 6.115 8.038 ( 2.576 13.723 3.774) 14.464 8.252 ( -3.894 7.872 9.642) 13.042 8.947 ( -8.360 -9.817 -0.129) 12.895 9.214 ( 2.556 -1.306 5.176) 5.918 9.724 ( 13.421 1.839 -1.867) 13.675 10.918 ( 6.311 7.196 -7.560) 12.197 11.073 ( 19.391 -0.942 -1.887) 19.505 11.439 ( -10.907 15.384 -12.806) 22.795 12.380 ( 15.539 12.336 -6.512) 20.882 13.701 ( -6.764 -11.631 9.180) 16.289 13.743 ( -12.717 -11.945 -11.713) 21.014 14.597 ( -0.659 1.593 -4.384) 4.711 14.940 ( 4.783 -8.177 -0.347) 9.480 16.202 ( -3.241 -4.125 17.684) 18.446 18.082 ( 7.258 -20.353 -0.269) 21.611 18.726 ( -8.550 -1.832 -0.302) 8.750 19.293 ( 4.239 2.371 1.982) 5.246 19.834 ( -21.875 12.909 4.231) 25.750 22.171 ( 21.689 -17.185 -14.227) 31.115 23.633 ( -8.153 3.886 -2.702) 9.427 23.902 ( -0.720 6.169 -3.379) 7.070 ======================= Grid point 302 (154/230) ======================= q-point: ( 0.30 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 7.221 4.146 11.517) 14.212 2.688 ( 8.068 4.329 9.630) 13.288 3.126 ( -2.137 0.274 -8.337) 8.611 3.292 ( -3.767 6.926 -5.552) 9.643 3.515 ( -3.865 -8.395 -4.415) 10.242 3.795 ( 0.303 -6.646 -13.207) 14.788 4.059 ( -13.651 -10.008 2.808) 17.158 4.370 ( -5.199 -4.072 7.968) 10.349 4.985 ( 6.703 2.648 6.088) 9.434 5.376 ( 9.853 4.603 0.990) 10.920 5.577 ( 2.777 1.814 6.921) 7.675 5.912 ( -0.105 1.478 2.577) 2.972 6.400 ( 2.611 8.543 2.164) 9.191 7.373 ( -0.442 0.998 4.476) 4.607 7.445 ( -5.996 5.521 -5.353) 9.751 8.059 ( -1.946 12.771 4.473) 13.670 8.236 ( 0.046 4.234 9.033) 9.976 8.820 ( -1.714 -6.224 -3.061) 7.145 9.365 ( 8.536 0.990 11.406) 14.281 9.948 ( 10.139 1.540 -0.794) 10.286 10.890 ( -5.918 -0.764 -13.897) 15.124 11.226 ( -3.549 24.249 -6.087) 25.252 11.467 ( 15.845 0.742 -3.729) 16.295 12.651 ( 14.029 10.799 -10.541) 20.604 13.445 ( -14.998 -11.611 -1.455) 19.022 13.539 ( -11.094 -8.979 3.703) 14.745 14.608 ( 1.771 0.651 -0.069) 1.888 15.005 ( 2.109 -7.598 -0.578) 7.907 16.336 ( 12.610 0.804 10.364) 16.342 18.135 ( -2.571 -12.314 -1.948) 12.729 18.553 ( -7.778 -3.270 -0.006) 8.437 19.337 ( -11.557 4.428 -1.563) 12.475 19.564 ( 3.326 8.011 13.638) 16.163 22.440 ( 10.318 -15.407 -21.365) 28.290 23.475 ( -6.926 -0.840 -0.429) 6.990 23.870 ( -1.731 3.523 -3.418) 5.205 ======================= Grid point 303 (155/230) ======================= q-point: ( 0.40 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 8.935 -2.968 7.494) 12.034 2.802 ( 0.610 -0.247 3.316) 3.380 3.005 ( -6.003 0.047 -10.382) 11.992 3.287 ( 3.031 8.578 2.227) 9.366 3.372 ( -10.171 -7.317 -8.352) 15.058 3.703 ( -8.765 -10.540 1.298) 13.770 3.934 ( 3.825 -9.798 -8.689) 13.643 4.247 ( -6.970 -8.850 -3.240) 11.722 5.163 ( 8.293 4.599 9.270) 13.261 5.488 ( 1.805 2.901 1.194) 3.619 5.692 ( 6.411 6.077 6.677) 11.074 5.864 ( -5.326 4.006 4.026) 7.786 6.504 ( 7.761 8.647 3.012) 12.003 7.274 ( -9.404 6.030 -7.053) 13.211 7.382 ( -0.276 -3.393 9.691) 10.272 8.009 ( -3.709 8.415 5.491) 10.710 8.276 ( 1.767 -0.096 6.111) 6.362 8.856 ( 4.450 0.594 -1.832) 4.849 9.545 ( 6.452 3.853 10.870) 13.215 10.112 ( 7.352 0.813 0.521) 7.415 10.673 ( -11.753 0.134 -9.624) 15.191 11.204 ( 1.985 22.670 -9.912) 24.821 11.679 ( 6.258 2.992 0.421) 6.949 12.772 ( -1.912 4.914 -19.125) 19.839 13.250 ( -2.675 -8.077 5.367) 10.059 13.357 ( -6.897 -5.905 4.079) 9.953 14.647 ( 1.738 -0.685 3.341) 3.828 15.016 ( -0.742 -6.780 -0.903) 6.880 16.690 ( 21.516 4.820 5.351) 22.690 17.956 ( -13.884 -1.427 -6.001) 15.193 18.495 ( 1.360 -2.375 1.201) 2.989 19.005 ( -17.304 7.810 -2.080) 19.098 19.845 ( 16.039 -3.554 20.700) 26.426 22.429 ( -5.596 -13.000 -28.595) 31.906 23.416 ( 1.188 -4.880 2.721) 5.712 23.821 ( -2.441 1.735 -4.008) 5.003 ======================= Grid point 304 (156/230) ======================= q-point: (-0.50 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -2.016 -3.870 1.791) 4.717 2.687 ( -7.492 -0.959 -0.429) 7.565 2.954 ( -2.280 -1.938 -7.227) 7.822 3.073 ( -9.852 -11.629 1.167) 15.285 3.446 ( 8.774 7.258 -3.291) 11.853 3.578 ( -4.169 -8.024 3.774) 9.799 4.015 ( 1.422 0.059 -2.453) 2.836 4.163 ( 3.533 -17.487 -10.330) 20.615 5.290 ( 1.505 4.491 6.875) 8.349 5.485 ( -2.106 4.853 2.466) 5.837 5.722 ( -5.856 5.591 6.559) 10.419 5.840 ( 3.352 5.756 4.750) 8.181 6.697 ( 11.079 7.959 3.419) 14.063 7.091 ( -7.086 5.541 -7.834) 11.928 7.398 ( -1.205 -7.163 10.708) 12.939 7.958 ( -2.799 4.671 5.855) 7.996 8.322 ( 1.586 -1.160 4.767) 5.156 8.927 ( 2.566 3.881 -2.203) 5.148 9.621 ( -1.616 4.870 8.554) 9.975 10.239 ( 5.812 1.438 -1.459) 6.163 10.444 ( -10.287 2.856 -0.949) 10.718 11.215 ( 0.859 16.939 -11.222) 20.338 11.732 ( 0.273 7.187 4.038) 8.248 12.530 ( -14.478 -0.782 -16.488) 21.956 13.192 ( -5.176 -5.220 6.860) 10.055 13.454 ( 12.998 -4.329 -1.624) 13.796 14.688 ( 1.398 -1.721 4.760) 5.250 14.977 ( -2.878 -5.396 -1.104) 6.214 17.150 ( 24.755 8.024 3.334) 26.236 17.644 ( -15.647 3.086 -8.943) 18.285 18.536 ( -2.133 5.163 3.142) 6.409 18.762 ( -2.860 -0.489 -2.501) 3.830 20.215 ( 16.157 -6.208 25.413) 30.748 22.120 ( -18.099 -14.081 -31.674) 39.104 23.508 ( 6.632 -4.163 2.193) 8.132 23.761 ( -2.577 1.159 -4.934) 5.686 ======================= Grid point 305 (157/230) ======================= q-point: (-0.40 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -15.986 3.710 -0.423) 16.417 2.583 ( -13.785 -8.324 10.460) 19.202 2.810 ( 1.250 -4.829 -2.299) 5.493 3.144 ( 7.043 -5.742 -1.669) 9.239 3.447 ( -3.672 -2.501 -4.518) 6.337 3.678 ( 9.102 2.298 2.223) 9.647 3.980 ( -0.722 -0.661 -7.529) 7.592 4.311 ( 9.843 -11.799 -2.274) 15.532 5.226 ( -8.342 3.748 6.045) 10.962 5.438 ( -3.615 5.602 3.886) 7.717 5.645 ( -3.701 3.329 5.685) 7.556 5.891 ( 0.418 5.602 4.373) 7.119 6.915 ( 9.415 6.465 2.771) 11.753 6.988 ( -0.977 5.978 -8.888) 10.756 7.361 ( -5.524 -10.377 10.059) 15.472 7.937 ( -0.625 2.189 5.322) 5.788 8.361 ( 1.525 0.405 4.197) 4.484 8.927 ( -1.919 4.191 -3.543) 5.814 9.532 ( -9.010 4.513 8.320) 13.068 10.241 ( -7.126 4.444 -0.001) 8.398 10.343 ( 0.397 3.071 3.137) 4.407 11.151 ( -4.851 7.458 -12.347) 15.219 11.768 ( 2.765 14.381 6.728) 16.116 12.227 ( -12.529 2.235 -13.275) 18.390 13.138 ( -1.922 -7.235 5.845) 9.498 13.721 ( 14.875 -6.225 -4.161) 16.653 14.712 ( -0.556 -3.200 4.139) 5.261 14.913 ( -3.082 -3.070 -1.238) 4.523 17.346 ( -12.550 4.183 -10.428) 16.845 17.621 ( 22.879 7.593 2.856) 24.275 18.431 ( -4.272 -1.714 2.713) 5.343 18.898 ( 12.644 3.135 0.517) 13.037 20.560 ( 12.770 -5.596 27.546) 30.874 21.617 ( -26.092 -16.088 -32.891) 44.960 23.643 ( 5.937 -1.030 0.499) 6.046 23.712 ( -0.263 2.480 -5.463) 6.005 ======================= Grid point 306 (158/230) ======================= q-point: (-0.30 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -11.771 6.350 7.442) 15.306 2.327 ( -14.135 -2.887 16.117) 21.631 2.931 ( 9.470 -4.132 3.249) 10.831 3.233 ( 1.743 -1.835 -1.347) 2.868 3.384 ( -0.865 2.230 -4.771) 5.338 3.811 ( 4.222 2.575 -4.488) 6.678 3.999 ( 4.579 -5.870 -5.927) 9.516 4.443 ( 1.523 1.566 5.489) 5.908 5.097 ( -4.306 -4.744 4.317) 7.725 5.366 ( -4.370 5.080 5.149) 8.451 5.581 ( -4.653 0.990 3.581) 5.954 5.876 ( -3.021 5.175 4.878) 7.727 6.962 ( 1.644 2.492 -11.310) 11.698 7.021 ( -4.320 4.017 1.850) 6.182 7.298 ( 0.499 -4.440 10.502) 11.413 7.965 ( 2.373 1.199 3.928) 4.743 8.405 ( 1.958 1.027 5.020) 5.485 8.847 ( -4.781 4.035 -4.348) 7.618 9.341 ( -12.719 4.985 8.837) 16.270 10.099 ( -8.073 5.437 9.244) 13.423 10.327 ( -2.889 1.913 -2.261) 4.138 11.005 ( -6.120 -0.228 -10.569) 12.215 11.821 ( -1.245 15.412 0.710) 15.478 12.037 ( -2.513 11.229 -7.588) 13.784 13.148 ( 1.538 -9.073 6.019) 10.996 13.991 ( 14.466 -9.048 -5.711) 17.993 14.666 ( -5.009 -4.451 1.376) 6.840 14.871 ( -1.137 -0.704 -0.923) 1.625 17.127 ( -7.862 0.491 -8.052) 11.265 17.996 ( 14.719 -4.663 1.805) 15.545 18.479 ( 9.631 -1.580 1.262) 9.841 19.182 ( 15.999 6.319 3.472) 17.548 20.795 ( 1.437 -4.293 21.229) 21.706 20.994 ( -27.518 -14.450 -26.094) 40.583 23.679 ( 1.413 3.538 -4.746) 6.086 23.783 ( 5.502 4.466 -1.535) 7.251 ======================= Grid point 307 (159/230) ======================= q-point: (-0.20 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -5.155 10.880 15.931) 19.969 2.159 ( -6.998 3.743 20.826) 22.286 3.161 ( 12.517 -4.864 8.282) 15.777 3.189 ( -5.234 4.928 0.377) 7.199 3.416 ( 5.544 8.447 -9.480) 13.855 3.845 ( 1.318 -0.638 -2.294) 2.721 4.082 ( 3.830 -5.318 -3.725) 7.538 4.373 ( -9.317 9.360 11.809) 17.717 5.076 ( -0.869 -8.921 0.177) 8.965 5.334 ( 0.193 -0.218 3.317) 3.330 5.485 ( -5.485 -0.047 4.621) 7.172 5.812 ( -4.479 4.702 6.016) 8.852 6.774 ( -15.589 -1.560 4.032) 16.178 7.025 ( 5.367 6.405 -13.217) 15.637 7.400 ( 4.981 3.371 9.381) 11.143 8.029 ( 2.564 1.704 1.460) 3.407 8.460 ( 2.179 -1.575 8.732) 9.136 8.764 ( -1.774 5.702 -4.059) 7.220 9.108 ( -12.532 4.852 6.681) 15.007 9.994 ( -5.240 5.641 13.461) 15.507 10.220 ( -7.244 -1.871 -5.389) 9.221 10.901 ( -2.491 -3.673 -6.365) 7.760 11.730 ( -3.983 14.283 -9.138) 17.418 12.060 ( 2.560 17.882 -2.067) 18.182 13.226 ( 5.025 -9.387 6.947) 12.714 14.240 ( 12.958 -11.865 -7.136) 18.964 14.544 ( -7.123 -3.439 -1.175) 7.996 14.849 ( -1.111 -0.182 -1.776) 2.103 17.011 ( -3.311 -8.757 -1.395) 9.465 18.187 ( 5.481 -20.994 -3.249) 21.940 18.757 ( 16.901 3.010 -1.920) 17.274 19.484 ( 10.470 3.265 2.221) 11.190 20.289 ( -24.507 -5.134 -19.227) 31.569 20.930 ( -2.329 -1.985 22.099) 22.310 23.721 ( 4.003 7.039 -4.415) 9.223 23.865 ( 3.402 7.854 -2.207) 8.840 ======================= Grid point 308 (160/230) ======================= q-point: (-0.10 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -2.169 13.601 17.822) 22.523 2.172 ( 1.253 11.240 24.316) 26.817 3.081 ( -4.883 7.619 -0.352) 9.056 3.407 ( 9.529 -7.477 6.655) 13.820 3.531 ( 8.763 13.507 -10.615) 19.285 3.881 ( 1.663 3.493 12.463) 13.049 4.092 ( -1.942 0.164 -5.684) 6.009 4.226 ( -7.365 0.147 14.339) 16.121 5.038 ( -2.257 -4.363 0.696) 4.961 5.286 ( -4.886 -4.819 -5.188) 8.603 5.478 ( 1.566 -0.835 9.967) 10.124 5.749 ( -3.383 3.498 6.216) 7.894 6.522 ( -10.725 3.381 5.679) 12.598 7.109 ( 6.521 7.411 -14.211) 17.303 7.502 ( 3.381 6.012 8.685) 11.091 8.035 ( -1.799 3.036 -1.181) 3.721 8.522 ( -0.314 -1.560 12.387) 12.489 8.742 ( -0.766 5.693 -0.052) 5.745 8.995 ( 2.976 3.110 0.713) 4.364 9.980 ( -1.022 4.833 12.554) 13.491 10.034 ( -8.571 -6.313 -4.997) 11.759 10.868 ( 0.111 -3.124 -5.576) 6.393 11.688 ( 2.419 16.879 -9.376) 19.459 12.066 ( -1.399 15.847 -5.130) 16.715 13.369 ( 7.859 -8.659 7.566) 13.928 14.356 ( -4.836 -10.368 -9.845) 15.094 14.492 ( 8.100 -6.116 -1.349) 10.239 14.814 ( -1.907 -0.158 -3.753) 4.213 16.969 ( -3.535 -21.750 8.981) 23.795 18.142 ( -9.416 -22.656 -14.599) 28.549 19.032 ( 10.792 2.079 -4.045) 11.712 19.284 ( -19.828 -0.774 -7.380) 21.171 20.369 ( 28.360 2.261 4.632) 28.825 20.852 ( -10.701 0.500 17.303) 20.350 23.797 ( 4.423 8.890 -3.399) 10.495 23.899 ( 0.838 10.658 -3.204) 11.160 ======================= Grid point 309 (161/230) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 2.303 13.369 14.081) 19.553 2.612 ( 4.698 18.419 18.778) 26.720 3.150 ( -3.016 5.994 0.251) 6.715 3.362 ( 2.295 -8.364 1.191) 8.754 3.807 ( -1.399 1.177 -5.029) 5.352 3.941 ( 0.273 -8.449 12.412) 15.017 4.165 ( 7.318 8.185 -7.436) 13.260 4.257 ( -4.287 14.688 18.628) 24.106 4.938 ( 0.615 -5.728 -3.489) 6.735 5.112 ( -0.400 -2.958 -3.625) 4.696 5.465 ( -2.626 -2.034 8.977) 9.572 5.697 ( -1.688 -4.383 6.691) 8.175 6.538 ( -2.117 6.650 2.108) 7.290 7.394 ( 5.862 11.299 -12.264) 17.676 7.704 ( 1.380 5.775 5.913) 8.380 8.124 ( 1.752 4.830 -1.990) 5.510 8.434 ( -3.728 -2.522 13.703) 14.423 8.882 ( 4.072 4.917 3.339) 7.205 9.204 ( 13.009 0.406 -2.701) 13.293 9.592 ( -16.717 -5.792 -7.753) 19.316 10.252 ( 10.902 4.821 14.678) 18.909 10.800 ( 3.702 -5.439 -1.779) 6.815 12.133 ( 4.192 17.913 -6.344) 19.460 12.286 ( -3.686 15.559 -5.945) 17.059 13.348 ( 7.473 -10.601 4.875) 13.857 13.959 ( -6.799 -15.036 -12.270) 20.564 14.476 ( 5.188 -7.541 0.338) 9.159 14.763 ( -1.460 0.268 -8.836) 8.959 16.335 ( -15.352 -18.102 20.405) 31.301 17.651 ( -1.861 -10.420 -23.266) 25.561 18.986 ( -9.945 0.455 1.206) 10.029 19.229 ( 5.918 0.561 -6.481) 8.794 20.679 ( -13.528 3.159 10.508) 17.418 20.917 ( 26.916 -4.280 4.013) 27.548 23.984 ( -0.815 6.358 -0.886) 6.471 24.077 ( -0.215 5.604 -4.447) 7.157 ======================= Grid point 310 (162/230) ======================= q-point: ( 0.10 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 2.564 12.305 11.343) 16.931 2.697 ( 0.237 18.969 17.051) 25.507 3.125 ( 0.471 3.364 -0.141) 3.400 3.354 ( -2.204 -8.903 -3.808) 9.931 3.712 ( -6.033 1.598 -5.995) 8.654 3.930 ( -3.967 -4.999 6.571) 9.160 4.172 ( -1.824 3.422 6.627) 7.678 4.370 ( 4.567 7.876 11.311) 14.520 4.915 ( -1.567 -6.959 -5.058) 8.744 5.158 ( 6.005 6.026 -3.038) 9.034 5.426 ( -1.964 -5.520 8.309) 10.167 5.746 ( 4.193 -3.786 6.143) 8.346 6.523 ( -0.044 7.572 1.361) 7.693 7.453 ( 2.923 9.067 -10.334) 14.055 7.695 ( -2.815 5.248 1.689) 6.190 8.151 ( 1.797 1.394 0.189) 2.282 8.434 ( -0.281 6.621 12.113) 13.807 8.952 ( 0.616 3.436 3.718) 5.100 9.262 ( -13.408 -5.465 -3.932) 15.004 9.483 ( 15.487 1.553 -3.425) 15.937 10.614 ( 22.578 2.151 10.915) 25.170 10.874 ( 4.447 -4.113 -6.074) 8.579 12.034 ( -8.772 19.390 -8.276) 22.835 12.387 ( 11.507 13.318 -3.752) 17.996 13.459 ( 2.415 -12.407 4.913) 13.562 13.756 ( -10.857 -13.041 -12.670) 21.177 14.566 ( 3.175 -8.141 -1.082) 8.804 14.737 ( 1.569 -0.622 -6.796) 7.002 16.137 ( -9.242 -11.171 21.409) 25.856 17.625 ( 4.541 -11.327 -15.642) 19.839 18.839 ( -7.031 -0.892 1.487) 7.242 19.292 ( 2.352 1.290 -3.791) 4.644 20.399 ( -17.231 6.661 6.540) 19.597 21.430 ( 25.412 -10.378 -1.649) 27.499 23.899 ( -7.448 5.356 -1.751) 9.339 24.048 ( -1.910 4.462 -3.021) 5.717 ======================= Grid point 311 (163/230) ======================= q-point: ( 0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 0.586 11.427 8.383) 14.184 2.736 ( 0.557 13.985 15.423) 20.827 3.144 ( 0.166 0.265 0.639) 0.712 3.298 ( -0.824 -9.114 -8.265) 12.331 3.583 ( -5.793 3.758 -3.756) 7.861 3.834 ( -5.611 -3.078 -4.917) 8.071 4.080 ( -10.653 -6.766 2.147) 12.801 4.391 ( -4.343 -1.755 1.696) 4.982 4.922 ( 3.903 1.954 6.878) 8.146 5.312 ( 9.908 8.335 -1.703) 13.059 5.464 ( 3.558 -4.980 9.312) 11.143 5.847 ( 4.347 -2.424 4.930) 7.005 6.540 ( 1.511 8.725 1.143) 8.928 7.441 ( -2.847 3.539 -1.336) 4.735 7.646 ( -1.020 5.864 -7.074) 9.245 8.175 ( -0.956 -4.312 -0.558) 4.452 8.422 ( -4.361 11.582 10.406) 16.169 8.877 ( -5.146 3.458 -0.005) 6.200 9.193 ( 5.121 -1.092 7.045) 8.777 9.760 ( 13.546 1.432 -2.277) 13.811 10.912 ( 0.734 -4.122 -10.003) 10.843 11.097 ( 24.124 1.999 4.784) 24.675 11.850 ( -7.455 23.276 -8.515) 25.882 12.622 ( 13.148 10.316 -1.973) 16.828 13.440 ( -6.566 -14.673 -5.216) 16.900 13.506 ( -11.167 -10.233 -0.895) 15.173 14.591 ( 0.890 -2.664 -1.925) 3.405 14.790 ( 4.147 -5.399 -3.134) 7.495 16.127 ( 3.922 -3.169 17.208) 17.932 17.736 ( 9.209 -13.669 -8.413) 18.505 18.691 ( -8.956 -1.522 -0.026) 9.084 19.325 ( 2.161 1.062 0.258) 2.421 20.070 ( -18.112 10.190 4.578) 21.280 21.856 ( 19.951 -13.480 -7.713) 25.283 23.705 ( -11.892 2.999 -2.506) 12.517 23.992 ( -3.170 2.969 -2.170) 4.855 ======================= Grid point 312 (164/230) ======================= q-point: ( 0.30 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 0.474 7.997 7.313) 10.847 2.796 ( 2.136 7.214 9.600) 12.197 3.093 ( -4.778 -2.712 -2.971) 6.246 3.304 ( 1.505 -9.500 -7.624) 12.273 3.490 ( -2.373 8.677 -1.389) 9.102 3.712 ( -4.676 -3.391 -15.140) 16.205 3.793 ( -17.372 -13.136 1.382) 21.823 4.252 ( -7.990 -8.125 -6.665) 13.201 5.085 ( 8.969 6.958 14.470) 18.391 5.474 ( 6.108 4.034 0.689) 7.352 5.602 ( 8.433 1.202 8.491) 12.027 5.918 ( 1.506 -0.961 4.512) 4.853 6.591 ( 3.762 10.110 1.520) 10.894 7.367 ( -4.605 -0.874 5.493) 7.221 7.586 ( -4.714 7.264 -9.755) 13.044 8.103 ( -3.557 -11.440 -6.787) 13.769 8.323 ( -7.778 9.350 10.822) 16.280 8.903 ( 6.533 11.845 3.585) 13.994 9.379 ( 10.787 -0.188 9.118) 14.126 9.977 ( 9.369 1.295 0.252) 9.461 10.836 ( -5.848 -3.695 -11.694) 13.587 11.489 ( 14.694 1.766 -4.894) 15.588 11.742 ( -1.243 25.735 -1.940) 25.838 12.863 ( 12.044 8.518 -2.619) 14.983 13.166 ( -15.063 -14.952 -10.807) 23.817 13.371 ( -7.706 -7.467 8.700) 13.815 14.609 ( 1.169 -0.661 0.173) 1.354 14.851 ( 2.619 -7.068 -2.217) 7.856 16.367 ( 17.237 2.118 10.551) 20.321 17.897 ( 7.804 -10.621 -5.528) 14.292 18.508 ( -8.879 -1.584 -0.714) 9.047 19.362 ( -1.207 -0.200 1.627) 2.036 19.770 ( -11.901 10.447 8.289) 17.874 22.136 ( 11.243 -13.892 -15.045) 23.361 23.464 ( -11.507 -0.363 -0.777) 11.539 23.921 ( -3.549 1.702 -2.798) 4.829 ======================= Grid point 313 (165/230) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 1.796 0.896 5.515) 5.869 2.829 ( -1.524 3.189 2.458) 4.305 2.985 ( -4.468 -2.513 -3.641) 6.288 3.195 ( -12.672 -5.592 -9.647) 16.879 3.480 ( -8.015 -10.900 -3.773) 14.046 3.515 ( 3.064 10.418 -3.889) 11.534 3.672 ( 2.138 -14.360 -5.695) 15.595 4.094 ( -6.050 -7.598 -8.199) 12.711 5.284 ( 7.522 6.716 12.920) 16.389 5.559 ( 2.729 3.769 3.157) 5.624 5.782 ( 7.434 3.035 6.702) 10.459 5.912 ( -3.365 0.858 5.266) 6.308 6.701 ( 7.456 10.622 1.958) 13.125 7.302 ( -3.913 -2.867 6.455) 8.075 7.415 ( -9.706 5.790 -6.305) 12.941 8.050 ( -0.513 -9.547 -12.240) 15.532 8.221 ( -4.892 3.265 14.388) 15.544 9.059 ( 7.224 15.449 3.388) 17.388 9.601 ( 8.957 0.981 6.090) 10.876 10.128 ( 6.555 0.821 2.720) 7.144 10.663 ( -8.680 -1.125 -8.083) 11.914 11.562 ( -1.335 9.346 -15.004) 17.727 11.835 ( 6.687 15.856 7.479) 18.764 12.810 ( -14.903 -4.060 -11.809) 19.443 13.108 ( 8.601 -3.690 1.923) 9.555 13.248 ( -5.766 -4.672 7.161) 10.313 14.635 ( 1.217 -0.420 1.836) 2.242 14.876 ( 0.518 -6.765 -1.722) 7.000 16.803 ( 25.579 6.045 4.402) 26.649 17.912 ( -6.324 -2.797 -6.868) 9.746 18.452 ( 5.173 -1.769 0.413) 5.483 19.150 ( -18.732 5.974 -2.425) 19.811 19.794 ( 8.781 -1.192 19.192) 21.139 22.157 ( -5.375 -13.034 -23.972) 27.811 23.334 ( -0.892 -3.254 3.495) 4.857 23.845 ( -3.400 0.782 -4.402) 5.617 ======================= Grid point 314 (166/230) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -0.216 -5.205 3.797) 6.447 2.719 ( -9.296 2.704 0.493) 9.694 2.841 ( -14.638 -7.781 -6.804) 17.919 2.974 ( 0.888 1.060 -5.890) 6.050 3.403 ( -1.558 -7.974 0.731) 8.157 3.596 ( 7.086 6.312 -6.712) 11.624 3.784 ( 9.152 -16.355 -3.991) 19.161 3.997 ( -1.704 -4.140 -8.073) 9.231 5.400 ( 0.958 5.975 9.074) 10.907 5.593 ( -0.179 5.201 3.656) 6.360 5.809 ( -6.871 3.188 7.825) 10.891 5.918 ( 3.640 2.027 5.582) 6.965 6.875 ( 9.568 9.299 2.400) 13.557 7.202 ( -6.476 4.994 -7.630) 11.184 7.268 ( -5.169 -5.194 8.212) 11.006 7.998 ( -2.103 -2.727 -6.801) 7.623 8.222 ( 1.122 -4.082 11.209) 11.982 9.156 ( 1.952 15.361 -0.029) 15.485 9.687 ( -1.677 1.197 3.375) 3.954 10.261 ( 6.764 0.851 1.071) 6.901 10.500 ( -7.180 2.531 1.246) 7.714 11.443 ( -7.584 5.567 -13.630) 16.561 11.962 ( 5.466 15.322 6.740) 17.609 12.516 ( -12.413 -1.078 -8.389) 15.021 13.089 ( -6.528 -4.694 5.305) 9.633 13.352 ( 10.518 -5.681 1.093) 12.004 14.660 ( 0.675 -0.936 2.024) 2.330 14.868 ( -0.736 -5.153 -1.325) 5.371 17.322 ( 26.917 8.591 -0.251) 28.255 17.694 ( -12.025 1.698 -8.916) 15.066 18.635 ( 6.269 4.067 1.814) 7.690 18.766 ( -13.898 1.168 -1.203) 13.999 20.085 ( 14.712 -6.297 24.835) 29.544 21.838 ( -19.888 -13.054 -27.855) 36.632 23.434 ( 8.720 -3.092 3.772) 9.991 23.776 ( -2.349 0.360 -6.277) 6.712 ======================= Grid point 315 (167/230) ======================= q-point: (-0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -11.394 -1.025 2.462) 11.702 2.526 ( -10.601 3.155 4.991) 12.135 2.705 ( 2.438 -5.819 -1.537) 6.493 3.036 ( 5.296 -4.722 -1.086) 7.178 3.400 ( 1.734 -1.013 -2.023) 2.850 3.741 ( 8.658 3.346 -5.847) 10.970 3.893 ( 1.875 -8.844 -11.998) 15.023 4.063 ( 11.356 -10.265 -0.480) 15.316 5.336 ( -9.490 6.373 6.544) 13.172 5.561 ( -4.249 4.456 3.397) 7.032 5.705 ( -5.601 3.824 9.199) 11.429 5.965 ( -0.269 1.592 5.347) 5.585 7.005 ( 0.075 1.854 -2.178) 2.861 7.147 ( 4.966 9.335 -3.800) 11.236 7.189 ( -4.425 -5.609 7.944) 10.684 7.961 ( -0.227 -0.377 -2.011) 2.059 8.286 ( 2.397 -5.412 9.451) 11.151 9.128 ( -4.014 13.084 -4.768) 14.493 9.588 ( -8.786 0.741 7.553) 11.610 10.325 ( -2.242 3.143 -5.457) 6.684 10.413 ( -2.171 4.265 10.728) 11.747 11.212 ( -12.753 -0.394 -12.149) 17.618 12.093 ( 5.835 16.006 4.858) 17.716 12.320 ( -5.214 7.028 -5.810) 10.505 12.988 ( -4.825 -7.058 4.683) 9.748 13.556 ( 10.600 -10.076 -0.606) 14.638 14.656 ( -1.769 -2.138 1.239) 3.039 14.853 ( -0.241 -2.707 -1.544) 3.126 17.439 ( -11.172 4.704 -10.767) 16.213 17.773 ( 16.199 7.109 -3.146) 17.968 18.385 ( -10.216 -2.605 1.748) 10.687 18.972 ( 16.266 3.818 2.974) 16.971 20.436 ( 14.558 -6.424 27.294) 31.594 21.321 ( -26.332 -12.532 -27.806) 40.294 23.627 ( 9.349 -0.511 1.553) 9.491 23.742 ( 1.461 0.591 -7.180) 7.351 ======================= Grid point 316 (168/230) ======================= q-point: (-0.30 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -4.925 8.400 8.488) 12.918 2.355 ( -8.670 4.576 9.894) 13.929 2.828 ( 8.705 -6.189 5.796) 12.152 3.143 ( 5.067 -7.007 2.349) 8.960 3.473 ( 7.024 7.044 -4.731) 11.015 3.851 ( 0.552 0.770 -8.352) 8.405 3.894 ( 5.668 -3.545 -11.298) 13.128 4.321 ( 13.458 -12.084 0.891) 18.109 5.117 ( -13.400 4.833 6.422) 15.625 5.454 ( -7.382 1.955 3.514) 8.406 5.620 ( -5.956 4.398 8.772) 11.479 5.935 ( -3.923 0.570 5.468) 6.754 6.921 ( -7.469 -4.291 0.255) 8.618 7.123 ( 0.535 4.905 -5.675) 7.520 7.323 ( 8.563 5.765 6.368) 12.129 7.989 ( 3.420 0.897 -0.358) 3.554 8.341 ( 0.722 -5.686 9.775) 11.331 9.008 ( -6.065 9.792 -5.868) 12.926 9.410 ( -12.132 1.857 10.774) 16.331 10.214 ( -6.799 4.840 0.343) 8.353 10.380 ( -5.127 4.216 5.183) 8.422 10.944 ( -11.136 -5.198 -8.606) 15.003 12.105 ( -2.927 13.454 -6.474) 15.215 12.360 ( 6.797 18.765 3.386) 20.244 12.942 ( -0.551 -11.008 3.768) 11.648 13.753 ( 10.388 -14.394 -2.881) 17.983 14.595 ( -4.654 -2.523 0.611) 5.328 14.851 ( 0.324 -1.077 -2.985) 3.190 17.185 ( -13.763 5.442 -7.230) 16.471 17.826 ( -4.043 -11.486 -3.186) 12.586 18.494 ( 16.646 2.265 -2.428) 16.974 19.294 ( 15.801 4.537 4.337) 17.002 20.704 ( -11.499 -4.722 0.503) 12.441 20.761 ( -7.097 -8.123 1.436) 10.882 23.737 ( 4.687 2.606 -5.395) 7.607 23.849 ( 8.542 1.731 -1.809) 8.901 ======================= Grid point 317 (169/230) ======================= q-point: (-0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -2.187 13.525 12.544) 18.576 2.285 ( 1.315 9.503 16.983) 19.506 3.036 ( 10.134 -6.815 10.489) 16.099 3.223 ( 2.099 -3.257 5.146) 6.442 3.642 ( 11.636 13.268 -7.687) 19.249 3.802 ( -1.614 -1.951 -8.217) 8.598 3.985 ( 4.834 -3.513 -8.438) 10.340 4.496 ( 1.140 -1.304 6.132) 6.372 4.928 ( -5.014 -2.955 1.749) 6.077 5.311 ( -8.039 -2.415 2.879) 8.874 5.525 ( -5.699 4.358 9.872) 12.203 5.855 ( -5.598 -0.713 6.341) 8.489 6.753 ( -9.412 -0.494 2.860) 9.849 7.176 ( 6.387 8.192 -10.760) 14.956 7.486 ( 6.696 4.832 7.965) 11.473 8.071 ( 4.133 2.121 -1.242) 4.808 8.369 ( 0.419 -6.345 11.780) 13.387 8.911 ( -2.131 7.371 -4.359) 8.825 9.180 ( -13.639 2.304 9.373) 16.709 10.091 ( -6.239 1.297 -1.067) 6.461 10.235 ( -10.099 6.035 5.291) 12.900 10.785 ( -4.097 -7.400 -2.144) 8.726 12.044 ( -0.732 16.548 -8.833) 18.772 12.452 ( 0.941 20.398 1.436) 20.470 13.005 ( 6.288 -12.446 3.705) 14.428 13.932 ( 9.097 -18.095 -5.968) 21.114 14.495 ( -5.479 -1.699 0.252) 5.742 14.842 ( -0.357 -0.463 -5.201) 5.234 16.885 ( -16.345 -3.347 3.150) 16.979 17.778 ( 0.682 -18.707 -11.285) 21.858 18.816 ( 16.399 2.624 -5.416) 17.469 19.511 ( 0.961 -0.198 -2.052) 2.274 20.261 ( -10.109 1.363 -8.133) 13.046 20.888 ( 0.525 -2.015 21.015) 21.118 23.836 ( 6.684 4.854 -4.872) 9.590 23.988 ( 6.150 3.885 -2.198) 7.599 ======================= Grid point 318 (170/230) ======================= q-point: (-0.10 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -0.623 12.894 14.245) 19.224 2.439 ( 7.503 16.369 20.329) 27.157 3.195 ( 0.317 -1.146 7.745) 7.835 3.270 ( 4.780 -2.449 3.184) 6.243 3.791 ( 1.949 -1.491 -1.252) 2.755 3.845 ( 9.410 7.540 -3.800) 12.643 4.043 ( 4.309 -0.907 -6.483) 7.837 4.395 ( -10.626 10.714 12.965) 19.895 4.922 ( 1.677 -6.737 -2.857) 7.508 5.178 ( -5.635 -5.717 -0.532) 8.045 5.475 ( -2.044 1.167 10.916) 11.167 5.762 ( -5.551 -2.384 6.788) 9.087 6.607 ( -6.053 4.453 2.844) 8.035 7.291 ( 7.752 10.549 -12.145) 17.857 7.620 ( 5.198 5.302 7.852) 10.807 8.105 ( 0.632 3.213 -2.318) 4.012 8.435 ( 1.799 -5.885 13.452) 14.793 8.874 ( -3.680 6.080 2.289) 7.467 9.038 ( 1.972 1.089 0.642) 2.343 9.903 ( -12.963 -5.558 -8.997) 16.729 10.131 ( -1.404 8.964 14.260) 16.902 10.757 ( 0.699 -7.029 0.500) 7.081 12.051 ( 3.792 18.180 -8.358) 20.365 12.405 ( -5.032 17.263 -2.681) 18.181 13.172 ( 9.188 -10.408 4.329) 14.543 14.037 ( 2.423 -19.298 -9.851) 21.802 14.421 ( -0.936 -2.154 0.638) 2.434 14.811 ( -1.262 -0.151 -7.494) 7.601 16.595 ( -16.013 -14.618 13.576) 25.582 17.747 ( -0.942 -16.124 -21.388) 26.801 19.068 ( 10.885 1.473 -6.293) 12.659 19.268 ( -16.863 -0.643 -5.954) 17.895 20.423 ( 20.758 2.737 6.571) 21.945 20.861 ( -7.653 0.354 15.400) 17.200 23.944 ( 4.852 6.316 -2.772) 8.433 24.066 ( 2.679 5.322 -3.457) 6.888 ======================= Grid point 319 (171/230) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 2.940 6.559 10.751) 12.933 2.942 ( 3.026 11.478 13.421) 17.917 3.185 ( 1.080 0.188 10.990) 11.045 3.278 ( 1.454 -2.273 1.680) 3.178 3.652 ( -2.996 -8.458 10.512) 13.821 3.882 ( -1.729 -0.785 -5.900) 6.198 4.370 ( 3.961 9.986 -6.662) 12.642 4.470 ( -1.815 2.905 5.520) 6.496 4.865 ( 1.674 0.062 -1.918) 2.546 5.040 ( 3.301 -3.753 1.580) 5.242 5.441 ( -6.318 -0.298 5.471) 8.363 5.589 ( -1.633 -4.602 10.739) 11.797 6.636 ( -0.992 2.700 1.273) 3.145 7.611 ( 5.338 7.865 -14.537) 17.368 7.809 ( 3.435 5.520 5.496) 8.514 8.076 ( -4.816 -7.906 -0.168) 9.259 8.444 ( 4.969 2.473 14.057) 15.114 8.964 ( 4.060 2.521 5.544) 7.320 9.192 ( 11.706 -0.949 -5.202) 12.845 9.518 ( -15.145 -1.731 -7.356) 16.926 10.340 ( 6.500 3.111 13.796) 15.565 10.702 ( 5.005 -3.365 3.989) 7.231 12.409 ( 1.694 8.213 -1.108) 8.459 12.583 ( -2.659 11.469 -3.989) 12.430 13.155 ( 5.244 -7.231 0.540) 8.949 13.665 ( -2.130 -10.869 -13.964) 17.823 14.380 ( 1.471 -2.245 0.958) 2.850 14.767 ( -0.874 0.086 -10.459) 10.496 16.093 ( -13.614 -6.054 19.179) 24.286 17.503 ( 0.871 -3.941 -26.546) 26.851 18.994 ( -10.892 0.236 0.861) 10.928 19.235 ( 6.386 0.105 -7.185) 9.614 20.726 ( -11.158 1.354 9.469) 14.697 20.861 ( 21.532 -1.439 6.168) 22.444 24.087 ( -1.660 3.698 -1.081) 4.195 24.130 ( -0.209 0.119 -2.868) 2.878 ======================= Grid point 320 (172/230) ======================= q-point: ( 0.10 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 2.195 6.699 7.799) 10.513 2.994 ( -0.830 5.975 14.256) 15.480 3.178 ( -1.649 2.016 2.773) 3.804 3.273 ( -2.799 5.141 -0.943) 5.929 3.587 ( -6.284 -13.307 10.422) 18.033 3.851 ( -1.571 -0.059 1.399) 2.104 4.297 ( -7.138 6.347 -8.965) 13.100 4.450 ( -4.513 -1.851 -3.061) 5.759 4.918 ( 4.990 7.577 6.365) 11.082 5.158 ( 5.922 -7.373 3.502) 10.085 5.369 ( 0.660 1.279 2.478) 2.866 5.657 ( 4.975 -3.712 8.983) 10.919 6.640 ( 1.109 3.381 1.241) 3.768 7.628 ( -0.487 6.877 -14.772) 16.302 7.787 ( -6.045 4.100 3.404) 8.058 8.035 ( 1.720 -8.609 1.568) 8.918 8.591 ( 4.986 5.874 11.317) 13.691 9.037 ( 0.754 3.583 4.387) 5.714 9.174 ( -11.002 -3.192 -3.397) 11.949 9.501 ( 14.818 0.327 -5.431) 15.786 10.645 ( 21.417 0.906 11.285) 24.225 10.801 ( 4.328 -2.304 -0.937) 4.992 12.386 ( -3.486 13.147 -2.503) 13.829 12.593 ( 4.234 5.899 -1.531) 7.421 13.221 ( 1.427 -9.709 0.248) 9.817 13.534 ( -7.381 -6.945 -14.276) 17.507 14.439 ( 3.955 -3.485 1.047) 5.374 14.736 ( 0.335 0.085 -9.187) 9.193 15.980 ( -2.961 -4.118 20.289) 20.913 17.473 ( 3.159 -3.817 -20.858) 21.438 18.827 ( -7.913 -0.308 1.617) 8.083 19.307 ( 2.936 0.356 -4.618) 5.484 20.496 ( -14.347 2.671 6.007) 15.781 21.286 ( 21.288 -3.780 1.628) 21.682 23.977 ( -8.995 2.138 -1.883) 9.435 24.099 ( -2.710 1.002 -1.383) 3.203 ======================= Grid point 321 (173/230) ======================= q-point: ( 0.20 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 0.156 6.265 4.338) 7.622 2.985 ( -2.955 4.797 11.869) 13.139 3.164 ( -0.605 -1.691 -2.773) 3.304 3.181 ( -5.510 8.142 3.073) 10.300 3.485 ( -6.447 -14.983 9.004) 18.631 3.801 ( -3.921 2.465 -0.868) 4.712 4.081 ( -12.342 4.442 -16.608) 21.163 4.273 ( -10.539 -7.936 -10.717) 16.997 5.060 ( 6.430 9.954 13.558) 18.007 5.289 ( 7.660 -9.095 10.112) 15.610 5.490 ( 9.284 5.321 -0.684) 10.723 5.781 ( 5.412 -3.185 6.926) 9.349 6.684 ( 3.135 4.501 1.229) 5.621 7.498 ( -8.914 1.931 -1.428) 9.232 7.739 ( 1.311 2.822 -10.857) 11.295 8.023 ( -5.363 -6.438 -0.715) 8.409 8.613 ( -5.708 5.498 8.380) 11.534 9.000 ( 1.153 6.149 0.304) 6.263 9.156 ( 5.624 -2.590 9.888) 11.667 9.776 ( 13.856 0.248 -3.632) 14.326 10.839 ( 0.105 -2.294 -6.463) 6.858 11.127 ( 24.457 0.857 4.448) 24.873 12.302 ( -4.071 20.181 -2.918) 20.794 12.689 ( 4.850 -6.220 0.564) 7.907 13.207 ( -2.843 -5.463 -4.341) 7.535 13.349 ( -7.956 -4.960 -6.436) 11.372 14.520 ( 4.027 -2.734 0.835) 4.938 14.735 ( 1.358 -0.927 -6.632) 6.832 16.083 ( 9.084 -1.139 17.351) 19.618 17.551 ( 9.269 -4.728 -13.523) 17.063 18.670 ( -9.117 -0.593 0.107) 9.137 19.339 ( 1.315 0.319 -0.548) 1.460 20.218 ( -15.799 4.075 4.257) 16.862 21.662 ( 17.942 -5.270 -3.909) 19.104 23.746 ( -14.138 1.056 -2.580) 14.410 24.028 ( -4.151 0.806 -1.010) 4.347 ======================= Grid point 322 (174/230) ======================= q-point: ( 0.30 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -3.127 5.016 3.027) 6.641 2.956 ( -2.116 4.603 5.147) 7.222 3.062 ( -5.906 2.500 -1.430) 6.570 3.163 ( -0.877 -2.081 0.687) 2.360 3.397 ( -4.587 -14.700 9.752) 18.227 3.660 ( -12.207 0.699 -11.728) 16.942 3.812 ( -7.308 9.621 -16.132) 20.155 4.054 ( -8.279 -10.951 -11.751) 18.071 5.228 ( 7.341 5.880 15.688) 18.291 5.473 ( 7.955 -2.783 9.984) 13.066 5.667 ( 8.826 3.795 0.522) 9.621 5.881 ( 2.983 -2.109 5.853) 6.900 6.766 ( 5.220 5.902 1.408) 8.004 7.344 ( -7.044 -1.078 3.743) 8.049 7.716 ( -4.143 5.987 -10.684) 12.929 7.865 ( -5.530 -10.009 -8.082) 14.003 8.461 ( -10.628 3.710 9.473) 14.712 9.151 ( 11.679 10.745 2.615) 16.084 9.335 ( 9.829 -4.439 10.369) 14.960 9.995 ( 9.448 0.460 -0.264) 9.463 10.772 ( -4.812 -2.034 -9.322) 10.686 11.521 ( 15.043 1.063 -2.988) 15.374 12.230 ( -2.661 22.118 -0.370) 22.281 12.728 ( -2.293 -18.251 -3.049) 18.646 13.111 ( -2.818 6.609 -4.938) 8.718 13.239 ( -4.400 -6.088 4.254) 8.633 14.590 ( 3.042 -0.785 0.474) 3.177 14.750 ( 1.394 -2.705 -4.213) 5.197 16.406 ( 20.805 1.308 11.191) 23.661 17.741 ( 12.033 -4.284 -8.322) 15.244 18.487 ( -8.853 -0.530 -1.082) 8.935 19.356 ( -0.535 -0.225 2.222) 2.297 19.928 ( -14.773 4.489 6.375) 16.705 21.930 ( 10.868 -5.759 -11.160) 16.607 23.458 ( -13.986 -0.187 -1.052) 14.027 23.942 ( -4.326 0.487 -2.251) 4.901 ======================= Grid point 323 (175/230) ======================= q-point: ( 0.40 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -4.785 1.525 3.195) 5.952 2.887 ( -7.088 -1.059 -1.838) 7.399 2.949 ( -5.352 3.267 -2.768) 6.854 3.138 ( -2.469 -2.330 1.806) 3.846 3.317 ( -8.416 -2.528 -8.224) 12.035 3.414 ( -1.309 -10.133 -7.553) 12.705 3.725 ( -0.253 10.101 -8.225) 13.029 3.926 ( -2.644 -9.116 -8.951) 13.046 5.395 ( 5.871 3.419 13.767) 15.352 5.618 ( 4.614 1.644 7.939) 9.328 5.821 ( 6.606 1.041 3.130) 7.384 5.910 ( -1.613 -0.602 6.202) 6.437 6.892 ( 7.448 6.825 1.458) 10.206 7.245 ( -4.590 -2.342 4.866) 7.088 7.506 ( -12.625 2.653 -3.013) 13.248 7.845 ( 3.810 -7.061 -18.150) 19.844 8.296 ( -8.827 2.311 13.806) 16.548 9.356 ( 7.155 12.605 6.926) 16.064 9.560 ( 10.755 -5.286 -0.339) 11.989 10.141 ( 6.061 0.423 3.081) 6.812 10.639 ( -6.228 -0.872 -5.500) 8.354 11.647 ( -0.439 1.564 -9.608) 9.744 12.217 ( 1.064 19.222 2.984) 19.481 12.592 ( -8.453 -15.296 -4.823) 18.130 13.109 ( -0.721 1.371 0.926) 1.805 13.180 ( -1.144 -1.988 6.583) 6.971 14.636 ( 1.672 0.505 0.294) 1.771 14.767 ( 1.297 -3.488 -2.593) 4.536 16.903 ( 28.358 3.081 3.766) 28.773 17.860 ( -1.049 -1.761 -7.275) 7.558 18.428 ( 6.145 -0.609 0.056) 6.175 19.227 ( -15.557 1.777 -2.156) 15.806 19.794 ( 0.517 0.542 17.488) 17.504 21.959 ( -5.369 -5.650 -20.623) 22.047 23.290 ( -2.063 -1.161 3.498) 4.224 23.855 ( -3.885 0.206 -4.528) 5.969 ======================= Grid point 324 (176/230) ======================= q-point: (-0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -3.336 -2.145 4.546) 6.033 2.707 ( -9.556 -2.546 -3.231) 10.404 2.799 ( -9.107 1.722 -6.947) 11.583 3.024 ( -5.189 2.796 -5.990) 8.404 3.289 ( 5.550 -2.309 -2.446) 6.489 3.474 ( 6.987 -10.265 -3.697) 12.956 3.753 ( 4.423 6.338 -6.669) 10.208 3.893 ( 0.915 -5.812 -7.494) 9.528 5.499 ( 1.531 3.109 10.376) 10.939 5.664 ( -2.516 1.533 5.266) 6.034 5.862 ( -4.076 2.182 8.380) 9.571 5.926 ( 3.131 -0.772 4.919) 5.882 7.034 ( 5.238 5.355 2.098) 7.779 7.183 ( -3.393 -2.362 3.825) 5.633 7.289 ( -7.106 2.447 -3.350) 8.229 7.880 ( 4.115 -5.279 -17.871) 19.083 8.208 ( -4.151 0.628 18.148) 18.627 9.445 ( 0.439 12.087 4.599) 12.940 9.649 ( -1.428 -5.101 -5.990) 7.996 10.273 ( 7.094 0.309 2.180) 7.428 10.537 ( -4.238 1.022 4.172) 6.034 11.495 ( -11.772 0.813 -10.570) 15.842 12.260 ( 2.432 12.419 1.319) 12.724 12.463 ( -3.156 -4.738 -1.470) 5.879 13.020 ( -6.980 -1.914 4.280) 8.408 13.252 ( 4.757 -3.383 4.676) 7.480 14.653 ( -0.119 0.114 0.190) 0.251 14.788 ( 1.502 -2.422 -2.146) 3.567 17.461 ( 28.496 4.332 -3.160) 28.996 17.708 ( -9.510 -0.094 -8.797) 12.955 18.682 ( 16.706 0.897 2.350) 16.894 18.803 ( -25.720 1.592 -1.608) 25.819 19.988 ( 12.439 -2.802 24.704) 27.800 21.644 ( -19.970 -5.408 -25.074) 32.507 23.391 ( 9.862 -1.113 4.419) 10.864 23.778 ( -2.401 0.023 -6.981) 7.383 ======================= Grid point 325 (177/230) ======================= q-point: (-0.40 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -1.040 2.012 7.016) 7.373 2.578 ( -3.067 -3.016 -1.158) 4.454 2.609 ( -7.292 0.563 -2.678) 7.789 2.972 ( 0.048 -1.522 -0.958) 1.799 3.435 ( 10.044 4.612 -2.722) 11.382 3.644 ( 10.997 -11.040 -5.098) 16.395 3.833 ( 5.028 3.938 -7.032) 9.499 3.924 ( 4.490 -5.180 -8.244) 10.722 5.461 ( -9.772 5.797 6.345) 13.014 5.560 ( -6.526 -3.321 5.780) 9.329 5.817 ( -3.455 5.505 9.013) 11.112 5.956 ( -1.487 -2.017 5.712) 6.238 6.994 ( -7.796 -1.374 2.642) 8.346 7.150 ( 0.334 0.140 -0.331) 0.491 7.310 ( 6.973 5.470 -2.049) 9.096 7.920 ( 4.099 -2.599 -11.968) 12.915 8.212 ( -0.762 -1.633 18.454) 18.542 9.369 ( -7.853 9.667 -8.555) 15.110 9.554 ( -6.863 -3.918 9.044) 12.010 10.360 ( 0.428 0.725 -6.377) 6.432 10.493 ( -2.077 2.663 12.871) 13.306 11.184 ( -17.357 -1.284 -8.844) 19.523 12.327 ( 4.329 6.560 -0.787) 7.899 12.464 ( 3.430 4.704 -1.726) 6.072 12.899 ( -6.498 -1.006 6.859) 9.502 13.356 ( 5.241 -7.857 2.059) 9.667 14.629 ( -2.458 -0.650 0.243) 2.555 14.814 ( 1.737 -1.058 -3.022) 3.643 17.513 ( -7.069 2.185 -11.022) 13.275 17.880 ( 6.819 2.983 -7.893) 10.849 18.342 ( -12.030 -1.259 1.700) 12.215 19.032 ( 17.642 1.736 4.233) 18.226 20.331 ( 15.703 -3.180 27.465) 31.796 21.146 ( -24.675 -4.520 -24.291) 34.919 23.622 ( 12.192 -0.040 2.559) 12.457 23.744 ( 1.264 -0.137 -8.526) 8.620 ======================= Grid point 326 (178/230) ======================= q-point: (-0.30 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -0.115 7.527 6.918) 10.224 2.458 ( -2.296 7.686 5.190) 9.555 2.674 ( 8.202 -9.717 8.831) 15.481 2.999 ( 2.039 -5.303 3.294) 6.567 3.654 ( 12.924 10.064 -2.904) 16.636 3.803 ( 6.015 -4.186 -10.091) 12.471 3.902 ( 4.200 2.563 -9.058) 10.308 4.058 ( 12.004 -11.897 -5.795) 17.867 5.208 ( -15.703 3.043 6.000) 17.084 5.442 ( -8.507 -1.530 5.850) 10.437 5.751 ( -5.800 6.851 9.165) 12.828 5.899 ( -5.672 -3.780 6.215) 9.224 6.857 ( -6.686 -1.688 2.367) 7.291 7.190 ( 4.800 1.655 -5.651) 7.597 7.448 ( 6.909 4.678 1.124) 8.419 7.993 ( 5.924 -0.361 -6.174) 8.564 8.239 ( -1.359 -3.285 17.451) 17.809 9.169 ( -9.259 5.063 -7.668) 13.045 9.420 ( -10.674 -0.385 13.045) 16.860 10.267 ( -6.892 0.920 -8.321) 10.843 10.491 ( -2.588 5.032 12.005) 13.272 10.833 ( -16.234 -4.606 -4.746) 17.530 12.373 ( 0.983 13.245 -5.109) 14.230 12.595 ( 9.608 -4.449 -0.961) 10.632 12.819 ( -3.314 5.454 7.374) 9.753 13.463 ( 5.999 -11.981 -1.603) 13.495 14.563 ( -4.351 -0.748 0.434) 4.436 14.834 ( 1.234 -0.476 -4.860) 5.037 17.342 ( -14.430 10.004 -7.747) 19.192 17.577 ( -16.170 -12.553 -4.501) 20.960 18.536 ( 18.737 1.368 -5.854) 19.678 19.354 ( 14.104 1.432 4.121) 14.763 20.627 ( -22.714 -2.120 -18.353) 29.279 20.666 ( 11.244 -2.182 25.227) 27.705 23.782 ( 6.144 1.665 -7.663) 9.962 23.857 ( 10.333 -0.416 0.151) 10.342 ======================= Grid point 327 (179/230) ======================= q-point: (-0.20 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -1.861 4.025 8.057) 9.197 2.595 ( 8.884 17.115 12.865) 23.181 2.900 ( 11.054 -7.477 15.261) 20.273 3.058 ( 3.020 -9.913 7.956) 13.064 3.768 ( -1.612 1.264 -6.190) 6.520 3.931 ( 6.109 -1.135 -13.109) 14.507 3.976 ( 11.651 15.428 -7.534) 20.749 4.304 ( 12.847 -14.697 -3.055) 19.758 4.948 ( -11.733 1.851 6.112) 13.358 5.264 ( -10.926 -1.494 5.490) 12.319 5.646 ( -7.225 7.172 10.058) 14.311 5.787 ( -7.272 -5.659 7.485) 11.872 6.750 ( -4.994 0.046 1.327) 5.167 7.311 ( 9.686 4.090 -9.591) 14.231 7.576 ( 5.984 3.353 4.074) 7.978 8.096 ( 4.665 0.147 -4.910) 6.774 8.253 ( -0.163 -3.729 18.362) 18.737 9.022 ( -3.920 3.226 -4.348) 6.685 9.204 ( -14.344 0.306 11.467) 18.366 10.081 ( -10.281 -0.704 -9.784) 14.210 10.417 ( -7.900 10.195 8.412) 15.398 10.617 ( -4.954 -9.308 4.363) 11.411 12.367 ( 0.202 14.660 -4.801) 15.427 12.713 ( -0.081 -9.515 -0.081) 9.516 12.857 ( 7.581 11.195 2.659) 13.779 13.577 ( 6.706 -14.509 -6.112) 17.112 14.473 ( -4.968 -0.543 0.546) 5.028 14.834 ( 0.217 -0.245 -7.162) 7.169 16.867 ( -28.134 0.576 7.504) 29.124 17.492 ( 3.581 -8.431 -18.157) 20.337 18.854 ( 15.590 1.038 -7.707) 17.422 19.499 ( -2.853 -0.502 -3.588) 4.611 20.298 ( -4.104 1.407 -2.779) 5.152 20.857 ( 2.588 -0.890 20.284) 20.467 23.911 ( 8.521 2.321 -6.460) 10.942 24.026 ( 7.027 0.405 -0.423) 7.051 ======================= Grid point 328 (180/230) ======================= q-point: (-0.10 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 1.696 5.478 10.968) 12.377 2.802 ( 8.233 17.813 13.735) 23.952 3.086 ( 4.842 -4.401 12.824) 14.397 3.189 ( 6.646 -10.403 13.718) 18.454 3.694 ( -3.377 -1.163 -2.779) 4.525 3.932 ( -0.545 -1.154 -11.686) 11.755 4.221 ( 12.116 15.088 -6.370) 20.372 4.466 ( 3.250 -6.314 2.028) 7.385 4.836 ( -0.406 -0.448 0.577) 0.835 5.083 ( -7.955 -3.000 4.346) 9.548 5.538 ( -6.343 5.100 9.806) 12.743 5.666 ( -7.191 -6.411 8.855) 13.085 6.673 ( -3.187 1.816 0.981) 3.797 7.489 ( 10.444 7.166 -12.326) 17.673 7.701 ( 5.808 2.566 5.521) 8.414 8.116 ( -0.167 -2.167 -2.323) 3.181 8.346 ( 3.502 -1.777 16.189) 16.659 8.967 ( -6.642 3.067 6.889) 10.049 9.038 ( 2.995 -0.802 -1.976) 3.677 9.826 ( -13.908 -1.987 -9.428) 16.920 10.304 ( -4.475 6.941 10.567) 13.411 10.616 ( 2.066 -5.913 6.825) 9.264 12.374 ( 1.653 12.357 -2.843) 12.787 12.662 ( -3.833 4.291 -1.949) 6.075 13.024 ( 8.153 -1.255 0.502) 8.264 13.670 ( 4.337 -14.113 -10.633) 18.195 14.393 ( -2.981 -0.725 0.685) 3.143 14.809 ( -0.763 -0.084 -9.427) 9.458 16.401 ( -22.550 -4.804 14.511) 27.242 17.523 ( 3.875 -5.848 -25.049) 26.013 19.088 ( 10.825 0.496 -7.950) 13.440 19.260 ( -15.665 -0.178 -4.749) 16.370 20.465 ( 16.575 1.180 7.607) 18.276 20.865 ( -5.668 0.116 14.304) 15.387 24.044 ( 5.854 3.306 -3.958) 7.801 24.118 ( 2.748 0.385 -1.419) 3.116 ======================= Grid point 369 (181/230) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -2.682 0.000 14.008) 14.263 2.130 ( -0.441 0.000 9.690) 9.700 2.899 ( 6.815 0.000 -6.030) 9.100 2.953 ( -1.760 0.000 -10.397) 10.545 3.863 ( 1.403 0.000 3.044) 3.352 3.955 ( -0.248 0.000 -5.800) 5.805 4.345 ( 5.586 0.000 30.765) 31.268 4.705 ( -0.489 0.000 7.338) 7.354 4.914 ( -0.390 0.000 -2.017) 2.055 5.146 ( -5.694 0.000 -13.391) 14.551 5.638 ( -1.855 0.000 4.313) 4.695 5.685 ( 3.153 0.000 0.250) 3.163 6.461 ( -8.554 0.000 10.593) 13.615 6.726 ( 8.588 0.000 -14.652) 16.983 7.568 ( 0.746 0.000 10.022) 10.050 7.752 ( -3.504 0.000 -7.627) 8.393 8.458 ( -12.755 0.000 10.882) 16.766 8.697 ( 13.583 0.000 -12.180) 18.244 9.470 ( 13.678 0.000 20.241) 24.429 9.834 ( -15.011 0.000 -13.888) 20.450 10.251 ( 11.086 0.000 2.898) 11.458 10.341 ( -7.215 0.000 -6.247) 9.544 11.494 ( -6.248 0.000 -2.459) 6.714 11.508 ( 9.635 0.000 -3.588) 10.281 13.887 ( 8.630 0.000 8.127) 11.855 14.089 ( -7.718 0.000 -11.408) 13.774 14.793 ( -7.046 0.000 1.033) 7.121 14.815 ( 9.424 0.000 -1.527) 9.547 17.883 ( -45.222 0.000 2.742) 45.305 17.936 ( 32.307 0.000 -2.142) 32.378 19.059 ( 0.068 0.000 2.292) 2.293 19.103 ( -0.098 0.000 -1.982) 1.985 20.808 ( -31.572 0.000 14.534) 34.757 21.098 ( 40.399 0.000 -13.319) 42.538 23.488 ( 3.025 0.000 4.004) 5.019 23.574 ( -1.984 0.000 -4.227) 4.670 ======================= Grid point 370 (182/230) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 5.923 0.000 15.137) 16.254 2.200 ( 5.743 0.000 7.150) 9.171 2.891 ( -2.033 0.000 -14.201) 14.346 3.034 ( 8.634 0.000 -6.020) 10.525 3.830 ( -4.570 0.000 1.948) 4.967 3.893 ( -4.223 0.000 -7.285) 8.420 4.545 ( 6.287 0.000 30.146) 30.794 4.645 ( -3.907 0.000 -11.059) 11.729 5.002 ( 6.100 0.000 17.255) 18.301 5.006 ( -4.730 0.000 -16.426) 17.094 5.618 ( -1.060 0.000 1.217) 1.614 5.753 ( 3.783 0.000 -1.260) 3.987 6.360 ( -4.765 0.000 9.599) 10.716 6.877 ( 10.484 0.000 -12.656) 16.434 7.617 ( 1.480 0.000 12.425) 12.513 7.684 ( -1.846 0.000 -5.563) 5.862 8.288 ( -7.305 0.000 10.654) 12.918 8.969 ( 17.199 0.000 -11.827) 20.873 9.470 ( -17.450 0.000 -15.701) 23.474 9.714 ( 6.604 0.000 21.617) 22.603 10.267 ( 0.100 0.000 -7.239) 7.240 10.569 ( 20.973 0.000 -1.090) 21.002 11.328 ( -10.088 0.000 -4.530) 11.058 11.683 ( 9.868 0.000 -6.514) 11.824 13.918 ( -7.453 0.000 -11.736) 13.902 14.074 ( 8.338 0.000 7.549) 11.248 14.632 ( -9.555 0.000 -1.416) 9.659 14.969 ( 7.164 0.000 -2.472) 7.579 17.134 ( -33.626 0.000 14.732) 36.712 18.575 ( 31.656 0.000 6.532) 32.322 19.017 ( -3.942 0.000 4.029) 5.637 19.057 ( -4.082 0.000 -2.441) 4.756 20.170 ( -36.782 0.000 7.252) 37.490 21.724 ( 28.693 0.000 -21.897) 36.094 23.527 ( -1.662 0.000 -4.913) 5.186 23.562 ( 3.740 0.000 2.910) 4.738 ======================= Grid point 371 (183/230) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 11.219 0.000 11.240) 15.881 2.371 ( 10.044 0.000 5.937) 11.668 2.812 ( -1.990 0.000 -13.559) 13.705 3.175 ( 5.976 0.000 -3.877) 7.124 3.732 ( -5.435 0.000 1.043) 5.534 3.783 ( -3.455 0.000 -13.436) 13.873 4.530 ( -5.993 0.000 -5.441) 8.095 4.647 ( -3.613 0.000 14.361) 14.808 4.952 ( 3.970 0.000 -4.526) 6.020 5.180 ( 7.831 0.000 14.467) 16.450 5.595 ( -1.469 0.000 -1.394) 2.025 5.805 ( 1.668 0.000 -2.657) 3.137 6.319 ( -1.750 0.000 8.831) 9.003 7.044 ( 8.602 0.000 -9.116) 12.534 7.655 ( 0.163 0.000 -4.111) 4.114 7.676 ( 1.220 0.000 13.340) 13.396 8.240 ( -0.678 0.000 13.252) 13.269 9.123 ( -11.193 0.000 -10.872) 15.604 9.295 ( 16.394 0.000 -17.056) 23.657 9.844 ( 2.206 0.000 20.293) 20.413 10.291 ( 3.983 0.000 -6.572) 7.685 10.990 ( 22.082 0.000 -3.121) 22.302 11.098 ( -12.600 0.000 -2.851) 12.918 11.852 ( 10.223 0.000 -13.008) 16.545 13.742 ( -8.307 0.000 -10.283) 13.219 14.146 ( -7.057 0.000 7.358) 10.195 14.502 ( 0.719 0.000 -0.599) 0.936 15.076 ( 4.710 0.000 -3.353) 5.782 16.703 ( -15.519 0.000 17.911) 23.699 18.739 ( -13.375 0.000 -1.296) 13.438 18.946 ( -6.370 0.000 -3.490) 7.263 19.325 ( 30.057 0.000 19.217) 35.675 19.493 ( -33.204 0.000 3.757) 33.416 22.078 ( 14.541 0.000 -27.815) 31.387 23.495 ( -0.245 0.000 -4.084) 4.091 23.638 ( 3.480 0.000 1.262) 3.702 ======================= Grid point 372 (184/230) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 5.271 0.000 -8.335) 9.862 2.596 ( 11.767 0.000 4.595) 12.632 2.829 ( 7.519 0.000 4.649) 8.840 3.165 ( -7.350 0.000 -2.044) 7.629 3.645 ( -3.330 0.000 -0.191) 3.335 3.771 ( 6.809 0.000 -16.841) 18.165 4.385 ( -9.296 0.000 4.240) 10.218 4.522 ( -8.534 0.000 -3.108) 9.083 5.088 ( 7.673 0.000 7.127) 10.473 5.347 ( 6.280 0.000 7.021) 9.420 5.561 ( -1.277 0.000 -1.427) 1.915 5.791 ( -2.665 0.000 -2.526) 3.672 6.345 ( 2.618 0.000 9.128) 9.496 7.111 ( -0.615 0.000 -6.379) 6.408 7.685 ( 3.927 0.000 -1.806) 4.323 7.726 ( 1.089 0.000 11.762) 11.812 8.310 ( 3.346 0.000 17.203) 17.525 8.937 ( -3.855 0.000 -14.701) 15.198 9.566 ( 14.421 0.000 -14.597) 20.519 9.897 ( -1.518 0.000 17.227) 17.293 10.388 ( 7.394 0.000 -4.275) 8.541 10.846 ( -12.580 0.000 0.872) 12.610 11.363 ( 16.427 0.000 -1.472) 16.493 12.001 ( 9.152 0.000 -21.270) 23.156 13.562 ( -7.790 0.000 -6.212) 9.964 13.895 ( -16.730 0.000 6.862) 18.083 14.622 ( 7.968 0.000 3.313) 8.629 15.127 ( 1.456 0.000 -4.268) 4.510 16.608 ( 0.927 0.000 14.442) 14.472 18.353 ( -24.843 0.000 -4.671) 25.278 18.812 ( -6.240 0.000 -4.830) 7.891 18.963 ( -21.602 0.000 2.228) 21.716 19.953 ( 27.951 0.000 27.818) 39.434 22.157 ( 1.660 0.000 -31.766) 31.810 23.506 ( 2.190 0.000 -2.096) 3.032 23.693 ( 1.967 0.000 -0.368) 2.001 ======================= Grid point 373 (185/230) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 3.285 0.000 -12.517) 12.941 2.812 ( 6.157 0.000 -0.260) 6.162 2.952 ( -8.845 0.000 -1.128) 8.917 3.033 ( 7.814 0.000 7.833) 11.064 3.635 ( 3.525 0.000 1.420) 3.800 3.890 ( 5.604 0.000 -8.645) 10.302 4.190 ( -13.157 0.000 12.177) 17.927 4.360 ( -4.952 0.000 -12.114) 13.087 5.240 ( 6.063 0.000 5.996) 8.527 5.424 ( 0.763 0.000 -1.503) 1.686 5.568 ( 2.343 0.000 1.916) 3.027 5.702 ( -5.539 0.000 -0.043) 5.540 6.466 ( 7.567 0.000 8.746) 11.566 7.002 ( -8.056 0.000 -6.095) 10.102 7.775 ( 1.245 0.000 9.184) 9.268 7.775 ( 4.705 0.000 0.994) 4.809 8.419 ( 2.826 0.000 19.234) 19.441 8.893 ( 2.204 0.000 -17.295) 17.435 9.766 ( 10.264 0.000 -14.017) 17.373 9.855 ( -6.702 0.000 12.065) 13.802 10.541 ( 8.914 0.000 -2.218) 9.186 10.644 ( -9.396 0.000 8.497) 12.668 11.591 ( 7.136 0.000 2.047) 7.424 12.074 ( 3.776 0.000 -26.992) 27.255 13.451 ( -1.873 0.000 -1.685) 2.520 13.619 ( -12.904 0.000 6.253) 14.339 14.772 ( 6.278 0.000 5.889) 8.608 15.110 ( -2.044 0.000 -5.086) 5.482 16.782 ( 13.442 0.000 10.762) 17.220 17.836 ( -26.098 0.000 -8.166) 27.345 18.661 ( -11.422 0.000 4.905) 12.430 18.702 ( -3.397 0.000 -5.941) 6.844 20.511 ( 22.863 0.000 31.379) 38.825 22.011 ( -8.243 0.000 -34.497) 35.469 23.562 ( 3.601 0.000 -0.216) 3.608 23.705 ( -0.628 0.000 -1.559) 1.681 ======================= Grid point 374 (186/230) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( -14.954 0.000 -1.179) 15.000 2.642 ( 7.402 0.000 -4.997) 8.931 3.075 ( 10.082 0.000 -1.417) 10.181 3.081 ( -3.136 0.000 -1.499) 3.476 3.802 ( 9.983 0.000 3.583) 10.606 3.845 ( -8.688 0.000 -0.493) 8.702 3.955 ( -13.085 0.000 19.677) 23.631 4.336 ( 5.033 0.000 -16.420) 17.174 5.333 ( 2.222 0.000 4.146) 4.704 5.400 ( -2.168 0.000 -2.046) 2.981 5.615 ( -2.972 0.000 1.876) 3.514 5.630 ( 3.201 0.000 0.490) 3.238 6.661 ( 10.306 0.000 7.655) 12.838 6.818 ( -8.645 0.000 -7.251) 11.283 7.803 ( -0.677 0.000 5.907) 5.946 7.849 ( 2.591 0.000 0.964) 2.764 8.492 ( -0.071 0.000 18.845) 18.845 8.896 ( 1.631 0.000 -19.434) 19.502 9.708 ( -10.703 0.000 9.231) 14.134 9.907 ( 8.154 0.000 -11.557) 14.144 10.521 ( -6.847 0.000 13.112) 14.792 10.696 ( 7.469 0.000 -2.547) 7.891 11.655 ( -0.982 0.000 8.213) 8.271 12.001 ( -4.867 0.000 -24.355) 24.836 13.450 ( -5.934 0.000 4.083) 7.203 13.506 ( 7.974 0.000 -1.842) 8.184 14.889 ( 4.306 0.000 7.577) 8.715 15.029 ( -5.038 0.000 -5.534) 7.484 17.149 ( 21.917 0.000 9.620) 23.935 17.358 ( -20.798 0.000 -10.226) 23.176 18.540 ( -2.793 0.000 6.315) 6.905 18.671 ( 2.045 0.000 -6.081) 6.415 20.970 ( 17.075 0.000 32.775) 36.957 21.692 ( -16.022 0.000 -36.522) 39.882 23.630 ( 3.112 0.000 0.883) 3.235 23.662 ( -3.344 0.000 -1.978) 3.885 ======================= Grid point 375 (187/230) ======================= q-point: (-0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -11.892 0.000 6.919) 13.758 2.795 ( 5.709 0.000 0.570) 5.738 2.971 ( -4.023 0.000 -2.723) 4.858 3.199 ( 1.788 0.000 -8.014) 8.211 3.659 ( -14.955 0.000 13.269) 19.993 3.669 ( -5.993 0.000 -0.802) 6.047 4.109 ( 12.834 0.000 11.338) 17.125 4.382 ( 1.296 0.000 -6.386) 6.516 5.337 ( -3.834 0.000 -2.489) 4.571 5.371 ( 1.969 0.000 3.031) 3.615 5.591 ( -0.790 0.000 -0.113) 0.798 5.685 ( 2.192 0.000 1.422) 2.613 6.661 ( -5.321 0.000 -9.721) 11.082 6.871 ( 9.077 0.000 6.500) 11.164 7.756 ( -5.829 0.000 3.141) 6.621 7.882 ( 1.171 0.000 -1.560) 1.951 8.520 ( -0.684 0.000 17.973) 17.986 8.837 ( -3.021 0.000 -20.175) 20.400 9.514 ( -11.750 0.000 10.575) 15.808 10.028 ( 6.690 0.000 -8.069) 10.481 10.412 ( -8.144 0.000 11.382) 13.996 10.811 ( 5.551 0.000 -3.408) 6.514 11.630 ( -3.409 0.000 13.857) 14.270 11.790 ( -11.497 0.000 -17.743) 21.142 13.407 ( 0.232 0.000 3.090) 3.099 13.722 ( 14.619 0.000 -4.496) 15.295 14.894 ( -7.592 0.000 -5.579) 9.421 14.970 ( 2.139 0.000 8.056) 8.335 17.022 ( -10.867 0.000 -12.070) 16.242 17.646 ( 27.299 0.000 9.898) 29.038 18.572 ( 4.067 0.000 6.352) 7.543 18.762 ( 8.895 0.000 -4.648) 10.036 21.228 ( -23.429 0.000 -37.505) 44.222 21.312 ( 10.336 0.000 32.554) 34.155 23.576 ( -4.859 0.000 -1.414) 5.061 23.676 ( 1.377 0.000 0.993) 1.697 ======================= Grid point 376 (188/230) ======================= q-point: (-0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -6.224 0.000 16.363) 17.507 2.669 ( -13.020 0.000 -1.181) 13.073 3.074 ( -9.759 0.000 -11.851) 15.352 3.092 ( 8.922 0.000 4.452) 9.971 3.449 ( -8.102 0.000 12.437) 14.843 3.679 ( 5.663 0.000 -3.052) 6.433 4.347 ( -4.553 0.000 6.765) 8.154 4.357 ( 9.977 0.000 10.153) 14.235 5.244 ( -4.924 0.000 -4.912) 6.955 5.434 ( 3.658 0.000 -1.297) 3.881 5.559 ( -2.210 0.000 -1.232) 2.531 5.715 ( 0.106 0.000 4.477) 4.478 6.575 ( -0.882 0.000 -12.561) 12.592 6.994 ( 0.734 0.000 4.927) 4.982 7.614 ( -8.311 0.000 4.806) 9.600 7.895 ( 1.095 0.000 -4.873) 4.994 8.587 ( 3.891 0.000 18.203) 18.614 8.695 ( -6.253 0.000 -18.847) 19.857 9.304 ( -13.254 0.000 11.108) 17.293 10.111 ( 3.507 0.000 -6.490) 7.377 10.269 ( -8.730 0.000 8.728) 12.345 10.901 ( 4.154 0.000 -0.224) 4.160 11.496 ( -14.375 0.000 -15.445) 21.100 11.611 ( -2.088 0.000 14.211) 14.363 13.460 ( 4.047 0.000 4.546) 6.087 14.016 ( 16.756 0.000 -5.574) 17.659 14.715 ( -9.588 0.000 -5.476) 11.041 15.003 ( -0.709 0.000 7.419) 7.453 16.905 ( 2.060 0.000 -13.823) 13.975 18.218 ( 29.136 0.000 8.374) 30.316 18.704 ( 7.632 0.000 5.360) 9.327 18.995 ( 16.722 0.000 -1.080) 16.756 20.617 ( -31.268 0.000 -36.051) 47.722 21.507 ( 1.770 0.000 30.779) 30.830 23.484 ( -4.210 0.000 0.133) 4.212 23.686 ( -0.509 0.000 0.211) 0.551 ======================= Grid point 377 (189/230) ======================= q-point: (-0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -3.019 0.000 20.563) 20.784 2.401 ( -14.438 0.000 4.415) 15.098 2.876 ( -6.157 0.000 -11.783) 13.295 3.120 ( -4.916 0.000 0.029) 4.916 3.522 ( 10.381 0.000 11.254) 15.311 3.801 ( 7.327 0.000 -4.934) 8.833 4.269 ( -5.897 0.000 17.658) 18.617 4.534 ( 5.785 0.000 12.387) 13.671 5.129 ( -5.332 0.000 -9.049) 10.503 5.417 ( -4.632 0.000 -7.965) 9.214 5.567 ( 3.176 0.000 1.572) 3.544 5.708 ( -2.209 0.000 6.567) 6.929 6.565 ( 3.135 0.000 -14.408) 14.745 6.886 ( -12.217 0.000 5.819) 13.532 7.530 ( -1.966 0.000 8.019) 8.257 7.895 ( 0.020 0.000 -7.949) 7.949 8.549 ( -3.432 0.000 -15.655) 16.026 8.753 ( 6.914 0.000 21.036) 22.143 9.068 ( -12.025 0.000 8.193) 14.551 10.124 ( -0.431 0.000 -7.777) 7.789 10.151 ( -5.062 0.000 7.976) 9.447 10.896 ( -9.496 0.000 4.498) 10.507 11.261 ( -1.655 0.000 -15.930) 16.016 11.607 ( -1.551 0.000 9.128) 9.259 13.572 ( 5.940 0.000 6.899) 9.104 14.306 ( 13.325 0.000 -7.551) 15.316 14.521 ( -7.858 0.000 -3.357) 8.545 14.978 ( -3.489 0.000 5.958) 6.904 17.035 ( 14.781 0.000 -14.037) 20.384 18.706 ( 17.668 0.000 2.072) 17.789 18.867 ( 7.766 0.000 3.992) 8.732 19.410 ( 20.254 0.000 2.749) 20.439 19.912 ( -26.228 0.000 -28.589) 38.797 21.509 ( -9.218 0.000 27.116) 28.641 23.429 ( -1.584 0.000 2.252) 2.753 23.662 ( -1.688 0.000 -1.153) 2.044 ======================= Grid point 378 (190/230) ======================= q-point: (-0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -3.828 0.000 15.379) 15.849 2.172 ( -10.542 0.000 10.052) 14.566 2.819 ( 2.442 0.000 -7.916) 8.285 3.022 ( -3.787 0.000 -5.348) 6.553 3.748 ( 9.069 0.000 6.912) 11.402 3.917 ( 5.559 0.000 -6.026) 8.199 4.237 ( -1.952 0.000 26.595) 26.666 4.645 ( 2.452 0.000 17.406) 17.578 5.001 ( -4.897 0.000 -13.404) 14.271 5.286 ( -6.134 0.000 -9.616) 11.406 5.630 ( 2.801 0.000 0.628) 2.870 5.671 ( -2.896 0.000 6.461) 7.080 6.620 ( 6.144 0.000 -15.073) 16.277 6.644 ( -13.120 0.000 9.507) 16.203 7.539 ( 0.123 0.000 8.582) 8.582 7.842 ( -3.242 0.000 -9.197) 9.752 8.534 ( 5.846 0.000 -12.792) 14.064 8.701 ( -14.563 0.000 14.297) 20.408 9.140 ( 14.245 0.000 15.403) 20.980 10.053 ( -5.216 0.000 -10.598) 11.812 10.129 ( 1.244 0.000 6.750) 6.864 10.598 ( -17.126 0.000 -3.592) 17.499 11.339 ( 8.782 0.000 -5.868) 10.562 11.581 ( -3.021 0.000 2.540) 3.947 13.715 ( 7.204 0.000 8.261) 10.961 14.271 ( -8.249 0.000 -11.040) 13.782 14.614 ( 11.635 0.000 -0.350) 11.640 14.904 ( -5.341 0.000 3.819) 6.566 17.393 ( 25.420 0.000 -10.359) 27.450 18.715 ( -30.592 0.000 -7.371) 31.468 19.001 ( 5.013 0.000 2.829) 5.756 19.117 ( -8.293 0.000 -5.818) 10.131 20.301 ( 42.843 0.000 -4.940) 43.127 21.275 ( -21.303 0.000 21.540) 30.295 23.435 ( 1.281 0.000 3.853) 4.060 23.621 ( -2.030 0.000 -2.758) 3.425 ======================= Grid point 379 (191/230) ======================= q-point: ( 0.00 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 1.228 6.798 15.274) 16.763 2.260 ( -3.710 11.150 5.963) 13.177 2.904 ( 2.358 2.459 -0.745) 3.488 3.069 ( 2.312 8.864 -13.600) 16.398 3.815 ( 2.168 -4.151 3.897) 6.092 3.918 ( -1.656 -2.969 -5.873) 6.786 4.387 ( 4.962 4.137 29.016) 29.726 4.706 ( 2.177 -1.286 13.226) 13.466 4.888 ( -2.129 -1.460 -8.247) 8.642 5.092 ( -5.151 -5.476 -13.462) 15.419 5.653 ( -1.871 1.299 5.080) 5.567 5.719 ( 2.393 2.899 -0.616) 3.809 6.489 ( -8.027 2.907 11.381) 14.228 6.769 ( 8.298 4.254 -14.964) 17.632 7.624 ( 0.747 5.248 9.701) 11.055 7.797 ( -2.865 4.380 -6.775) 8.561 8.515 ( -11.998 5.190 9.472) 16.144 8.716 ( 12.591 1.827 -10.054) 16.216 9.407 ( 12.697 -5.185 17.068) 21.896 9.727 ( -14.176 -8.723 -13.022) 21.133 10.300 ( 10.325 4.988 7.547) 13.727 10.483 ( -5.765 10.424 -10.458) 15.851 11.515 ( 1.877 4.947 2.025) 5.665 11.615 ( 0.909 8.411 -7.108) 11.049 13.848 ( 8.456 -3.992 8.710) 12.779 14.060 ( -7.936 -3.104 -11.730) 14.499 14.752 ( -3.740 -3.953 0.524) 5.467 14.775 ( 6.146 -3.875 -1.386) 7.397 17.645 ( -17.330 -19.653 10.393) 28.188 17.847 ( 5.777 -11.083 -9.341) 15.603 19.047 ( -3.764 -0.824 2.959) 4.858 19.109 ( 3.413 0.373 -3.052) 4.594 20.811 ( -29.081 0.428 12.682) 31.729 21.052 ( 37.115 -3.810 -10.385) 38.728 23.604 ( 2.464 10.241 1.550) 10.647 23.651 ( -1.681 7.074 -2.834) 7.804 ======================= Grid point 380 (192/230) ======================= q-point: ( 0.10 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 2.176 6.051 10.675) 12.462 2.314 ( 7.708 10.341 9.096) 15.782 2.915 ( -0.627 3.193 -6.570) 7.331 3.107 ( 4.880 5.780 -11.767) 13.989 3.795 ( -4.349 -3.992 1.813) 6.176 3.832 ( -5.307 -4.169 -5.433) 8.664 4.551 ( 2.131 0.833 24.100) 24.208 4.708 ( -0.531 5.374 -9.119) 10.598 4.933 ( 3.457 -6.483 14.651) 16.390 4.982 ( -0.427 -2.900 -12.968) 13.295 5.621 ( -1.923 0.534 2.311) 3.053 5.784 ( 3.967 2.579 -0.899) 4.817 6.398 ( -4.453 3.735 10.081) 11.637 6.914 ( 10.279 3.651 -13.137) 17.075 7.633 ( -2.193 2.070 6.809) 7.447 7.779 ( 2.074 8.393 -0.695) 8.673 8.354 ( -6.803 6.060 9.420) 13.105 8.972 ( 15.981 0.058 -9.790) 18.741 9.362 ( -17.121 -8.254 -10.603) 21.764 9.670 ( 8.120 -4.338 15.590) 18.105 10.403 ( 0.651 11.254 -11.212) 15.900 10.617 ( 19.559 4.098 1.616) 20.049 11.368 ( -11.123 4.508 -3.516) 12.506 11.769 ( 10.819 8.516 -5.792) 14.937 13.869 ( -7.849 -4.954 -10.536) 14.042 14.038 ( 6.890 -4.037 7.298) 10.818 14.605 ( -8.173 -2.364 -1.947) 8.728 14.926 ( 7.230 -4.304 -2.276) 8.716 17.039 ( -29.930 -8.903 15.235) 34.744 18.338 ( 26.170 -21.750 4.406) 34.313 18.930 ( -8.875 -2.772 1.598) 9.435 19.160 ( 3.385 4.100 -0.410) 5.332 20.231 ( -32.791 5.555 6.177) 33.827 21.644 ( 27.543 -7.171 -18.497) 33.944 23.585 ( -2.899 6.003 -2.168) 7.010 23.671 ( 2.657 8.927 -0.155) 9.315 ======================= Grid point 381 (193/230) ======================= q-point: ( 0.20 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 7.073 0.805 7.055) 10.023 2.522 ( 10.167 9.882 7.966) 16.263 2.863 ( -1.376 5.202 -9.994) 11.351 3.182 ( 3.990 0.345 -6.296) 7.462 3.683 ( -5.595 -6.895 -6.621) 11.076 3.726 ( -4.035 -2.396 -2.976) 5.557 4.458 ( -10.471 -5.587 -2.073) 12.048 4.732 ( -2.841 5.772 5.896) 8.726 4.945 ( 4.596 -1.533 2.499) 5.451 5.142 ( 9.868 -2.790 8.377) 13.242 5.593 ( -1.198 0.651 -0.011) 1.364 5.847 ( 2.510 3.416 -1.503) 4.498 6.362 ( -1.611 4.161 8.987) 10.034 7.079 ( 8.816 3.371 -9.629) 13.484 7.599 ( -1.926 -1.178 4.100) 4.681 7.833 ( 2.310 10.755 3.457) 11.530 8.308 ( -0.677 6.175 11.791) 13.328 9.030 ( -12.848 -9.293 -12.672) 20.298 9.263 ( 15.489 -0.648 -6.899) 16.968 9.843 ( 6.198 -0.890 14.990) 16.245 10.421 ( 3.870 11.085 -11.731) 16.597 11.011 ( 18.242 1.309 -4.240) 18.774 11.134 ( -10.085 4.919 0.890) 11.256 11.955 ( 10.573 9.987 -11.505) 18.545 13.683 ( -8.741 -5.855 -9.873) 14.428 14.080 ( -7.365 -6.551 7.930) 12.651 14.513 ( 1.723 1.011 -0.887) 2.185 15.033 ( 4.631 -4.292 -3.192) 7.075 16.664 ( -13.308 -3.606 17.665) 22.409 18.618 ( -5.428 -22.850 2.221) 23.591 18.746 ( -5.709 -2.484 -0.822) 6.280 19.355 ( 15.122 0.566 8.040) 17.136 19.656 ( -24.097 12.791 5.968) 27.926 22.000 ( 15.028 -7.237 -25.032) 30.080 23.525 ( -2.386 3.120 -1.642) 4.258 23.714 ( 1.870 6.501 -0.746) 6.805 ======================= Grid point 382 (194/230) ======================= q-point: ( 0.30 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 8.339 -2.776 0.361) 8.796 2.659 ( 3.949 4.332 -4.782) 7.565 2.910 ( 7.660 6.707 5.104) 11.389 3.154 ( -6.696 -0.722 -2.995) 7.371 3.589 ( -3.057 -6.113 -3.845) 7.842 3.712 ( 5.967 -4.684 -10.829) 13.222 4.228 ( -12.540 -10.633 -1.019) 16.473 4.601 ( -10.260 1.976 1.906) 10.621 5.098 ( 7.866 1.054 8.770) 11.827 5.331 ( 7.843 -0.582 1.455) 7.998 5.585 ( 0.708 3.208 0.666) 3.352 5.858 ( -1.359 5.229 -1.218) 5.538 6.388 ( 2.408 4.129 8.916) 10.117 7.151 ( -0.465 3.868 -6.692) 7.744 7.606 ( 1.987 -3.686 5.665) 7.044 7.871 ( 1.064 9.550 2.325) 9.886 8.367 ( 2.716 4.899 14.705) 15.735 8.834 ( -4.303 -8.572 -12.545) 15.791 9.521 ( 12.493 -1.906 -4.157) 13.303 9.969 ( 3.401 3.838 9.492) 10.789 10.490 ( 5.883 9.010 -9.399) 14.287 10.875 ( -11.221 3.584 0.343) 11.784 11.390 ( 15.959 2.979 0.397) 16.240 12.104 ( 8.261 9.877 -19.432) 23.311 13.502 ( -7.630 -6.055 -5.778) 11.325 13.849 ( -15.582 -4.555 7.336) 17.815 14.625 ( 7.268 0.282 2.915) 7.836 15.084 ( 1.483 -4.298 -4.075) 6.106 16.603 ( 2.421 -0.330 14.459) 14.664 18.295 ( -21.823 -6.385 -3.987) 23.085 18.664 ( -5.016 -8.502 -1.304) 9.957 19.123 ( -20.127 10.081 -1.651) 22.571 19.924 ( 25.392 -2.233 25.405) 35.988 22.098 ( 2.244 -5.758 -30.161) 30.787 23.502 ( 0.361 -0.248 0.207) 0.484 23.734 ( 0.403 3.541 -1.665) 3.934 ======================= Grid point 383 (195/230) ======================= q-point: ( 0.40 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 3.377 -0.673 -10.398) 10.953 2.787 ( 7.047 -1.523 1.250) 7.317 2.917 ( -9.577 -2.205 -0.891) 9.868 3.106 ( 4.694 5.222 1.967) 7.292 3.562 ( 1.746 -6.886 2.198) 7.437 3.865 ( 8.535 -2.739 -8.546) 12.384 3.997 ( -9.645 -14.606 2.601) 17.695 4.378 ( -12.426 -2.013 -1.098) 12.636 5.254 ( 6.107 1.903 6.456) 9.089 5.423 ( 1.930 1.008 -2.756) 3.512 5.637 ( 4.047 6.277 1.844) 7.693 5.792 ( -4.924 7.087 0.665) 8.655 6.503 ( 7.389 3.676 8.380) 11.761 7.038 ( -8.409 3.521 -6.160) 11.003 7.687 ( 3.737 -4.376 8.765) 10.486 7.891 ( 0.718 6.188 -0.021) 6.230 8.452 ( 1.813 2.566 15.374) 15.692 8.789 ( 1.913 -7.470 -13.666) 15.691 9.709 ( 7.069 -0.834 1.355) 7.245 9.997 ( -1.321 7.305 -2.194) 7.740 10.581 ( 2.937 2.730 0.477) 4.038 10.727 ( -2.944 9.279 2.349) 10.014 11.622 ( 7.784 3.318 2.847) 8.928 12.152 ( 1.681 7.480 -24.944) 26.096 13.402 ( -0.887 -4.719 -1.441) 5.013 13.586 ( -12.695 -3.144 6.500) 14.605 14.762 ( 5.676 -0.998 5.530) 7.987 15.070 ( -1.730 -3.892 -4.827) 6.438 16.801 ( 14.501 2.015 10.808) 18.198 17.835 ( -23.770 -0.113 -7.689) 24.983 18.583 ( -2.541 -4.248 0.541) 4.979 18.807 ( -12.253 6.817 -2.076) 14.175 20.459 ( 22.802 -4.877 30.031) 38.021 21.956 ( -8.694 -5.368 -33.558) 35.079 23.539 ( 3.054 -2.069 1.593) 4.018 23.719 ( -1.565 1.156 -2.521) 3.185 ======================= Grid point 384 (196/230) ======================= q-point: (-0.50 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -14.099 -0.178 -1.420) 14.171 2.633 ( 6.851 -0.892 -4.459) 8.223 3.010 ( 5.333 -3.657 3.138) 7.188 3.114 ( -0.612 0.183 -6.552) 6.583 3.659 ( -0.085 -10.907 10.970) 15.469 3.767 ( -3.163 -6.303 -0.035) 7.052 4.007 ( -6.307 1.411 7.259) 9.720 4.234 ( 5.874 -9.385 -12.854) 16.965 5.341 ( 0.995 1.976 4.848) 5.329 5.416 ( -1.369 2.101 -2.113) 3.279 5.691 ( -3.281 6.859 3.248) 8.268 5.731 ( 2.968 7.777 -0.441) 8.336 6.697 ( 10.449 3.520 7.241) 13.191 6.850 ( -8.715 3.083 -7.291) 11.773 7.758 ( 0.511 -3.893 9.600) 10.372 7.897 ( 0.444 2.737 -2.827) 3.960 8.494 ( -1.104 0.741 14.505) 14.566 8.803 ( 2.226 -6.420 -14.788) 16.274 9.750 ( -5.575 3.582 9.931) 11.939 9.979 ( 3.818 5.502 -12.483) 14.166 10.559 ( -5.271 3.408 13.879) 15.232 10.779 ( 5.537 7.941 -5.917) 11.346 11.711 ( 0.738 5.625 9.059) 10.689 12.045 ( -6.466 4.364 -22.305) 23.630 13.413 ( -6.322 -3.523 4.386) 8.463 13.477 ( 8.585 -2.732 -2.233) 9.282 14.866 ( 3.610 -2.216 7.190) 8.345 14.999 ( -4.351 -2.922 -5.215) 7.394 17.181 ( 22.076 3.120 9.154) 24.102 17.385 ( -20.331 2.511 -10.119) 22.848 18.558 ( -2.452 1.790 5.653) 6.417 18.676 ( 1.420 0.518 -5.484) 5.689 20.922 ( 17.619 -4.715 32.030) 36.859 21.624 ( -17.095 -6.577 -35.400) 39.858 23.611 ( 3.578 -1.679 1.960) 4.411 23.664 ( -3.294 0.028 -3.040) 4.483 ======================= Grid point 385 (197/230) ======================= q-point: (-0.40 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -10.956 1.284 6.437) 12.772 2.779 ( 4.820 -1.487 1.252) 5.197 2.929 ( -4.571 -4.037 -1.036) 6.186 3.188 ( 3.151 -1.137 -5.463) 6.408 3.522 ( -8.921 -8.114 7.299) 14.096 3.736 ( -8.187 1.934 2.816) 8.871 3.990 ( 8.489 -9.925 1.694) 13.169 4.402 ( 9.054 -0.761 -2.150) 9.337 5.317 ( -3.202 -2.106 2.526) 4.590 5.376 ( -2.501 3.415 -0.268) 4.242 5.638 ( -2.551 4.563 1.623) 5.474 5.791 ( 2.376 7.999 0.705) 8.374 6.695 ( -5.060 3.247 -9.744) 11.450 6.911 ( 9.319 3.807 6.168) 11.806 7.722 ( -6.260 -3.752 6.093) 9.507 7.909 ( 1.533 1.517 -2.718) 3.469 8.497 ( -1.130 -0.735 13.219) 13.288 8.779 ( -1.370 -3.904 -14.579) 15.155 9.595 ( -11.348 6.532 8.656) 15.696 10.057 ( 5.287 2.432 -7.365) 9.386 10.463 ( -8.048 4.925 11.777) 15.090 10.851 ( 3.423 3.448 -5.714) 7.501 11.728 ( -1.171 9.623 14.518) 17.457 11.823 ( -11.466 3.447 -16.435) 20.334 13.360 ( -0.334 -4.629 3.116) 5.590 13.697 ( 14.400 -2.476 -4.813) 15.384 14.868 ( -6.608 -2.628 -3.243) 7.816 14.946 ( 1.408 -2.303 5.674) 6.283 17.043 ( -11.803 2.127 -12.110) 17.044 17.664 ( 25.721 1.693 8.605) 27.175 18.542 ( 0.972 -2.591 4.014) 4.875 18.808 ( 11.644 4.233 -1.882) 12.532 21.138 ( -23.666 -8.092 -33.412) 41.737 21.278 ( 10.167 -3.724 29.749) 31.658 23.586 ( -3.704 0.667 -2.849) 4.720 23.675 ( 2.484 0.038 1.518) 2.912 ======================= Grid point 386 (198/230) ======================= q-point: (-0.30 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -5.699 2.633 15.177) 16.424 2.644 ( -11.550 -1.872 2.346) 11.934 3.054 ( 6.370 -1.744 1.471) 6.766 3.132 ( -3.908 3.441 -6.963) 8.694 3.386 ( -5.892 -5.323 8.681) 11.764 3.689 ( 3.744 0.690 -3.379) 5.091 4.159 ( 7.059 -10.599 4.030) 13.357 4.517 ( 2.145 6.870 8.996) 11.520 5.245 ( -4.532 -2.644 -4.247) 6.750 5.349 ( 0.340 -2.507 0.356) 2.555 5.587 ( -2.937 2.693 0.535) 4.020 5.815 ( -0.492 7.154 2.739) 7.676 6.615 ( -0.572 3.779 -12.468) 13.041 7.029 ( -0.135 3.305 5.007) 6.001 7.591 ( -6.853 -2.362 6.280) 9.591 7.934 ( 1.617 2.830 -3.360) 4.681 8.548 ( 3.748 -2.240 12.105) 12.868 8.684 ( -4.586 -0.586 -12.458) 13.288 9.375 ( -13.773 6.048 8.155) 17.111 10.117 ( 2.028 0.309 -4.563) 5.003 10.317 ( -9.200 4.647 8.385) 13.287 10.899 ( 2.635 -0.241 -0.759) 2.752 11.543 ( -13.378 4.874 -13.464) 19.597 11.745 ( -0.747 12.851 12.806) 18.157 13.406 ( 3.910 -5.461 4.367) 8.012 13.979 ( 15.918 -3.688 -5.953) 17.390 14.704 ( -9.035 -1.090 -4.371) 10.095 14.971 ( -0.745 -3.121 6.360) 7.124 16.898 ( 0.105 -0.449 -13.530) 13.537 18.184 ( 25.936 -3.902 6.653) 27.059 18.616 ( 5.251 -6.472 3.016) 8.863 19.091 ( 17.974 7.618 1.390) 19.571 20.529 ( -30.656 -7.695 -32.793) 45.545 21.475 ( 1.924 -3.219 29.686) 29.922 23.523 ( -2.015 3.100 -1.826) 4.124 23.710 ( 0.850 2.496 0.643) 2.714 ======================= Grid point 387 (199/230) ======================= q-point: (-0.20 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -4.904 1.885 16.589) 17.401 2.466 ( -7.920 5.677 10.627) 14.418 2.936 ( -6.637 5.555 -10.653) 13.726 3.129 ( -2.523 1.378 -2.391) 3.739 3.471 ( 10.337 -4.787 10.015) 15.168 3.792 ( 6.981 -0.831 -5.128) 8.702 4.255 ( 0.762 -2.772 12.927) 13.243 4.558 ( 0.327 3.313 14.804) 15.173 5.130 ( -5.833 -0.740 -7.736) 9.717 5.337 ( -2.591 -6.379 -7.495) 10.178 5.566 ( 1.394 1.060 3.085) 3.548 5.787 ( -3.003 5.822 3.895) 7.622 6.609 ( 3.155 4.160 -14.187) 15.117 6.903 ( -12.716 1.636 6.928) 14.573 7.547 ( -0.119 1.638 7.730) 7.903 7.941 ( -0.259 3.989 -5.542) 6.833 8.561 ( -2.435 1.513 -11.783) 12.127 8.721 ( 8.330 -2.721 15.966) 18.213 9.119 ( -13.588 4.802 6.681) 15.885 10.101 ( -2.642 -2.721 -9.013) 9.779 10.186 ( -5.598 3.951 10.879) 12.857 10.905 ( -5.400 0.126 3.760) 6.581 11.313 ( -3.909 6.360 -12.918) 14.919 11.748 ( -1.784 13.072 6.800) 14.843 13.518 ( 6.267 -5.357 6.756) 10.659 14.248 ( 12.208 -5.796 -8.127) 15.770 14.524 ( -7.329 0.238 -2.446) 7.730 14.945 ( -3.370 -3.250 5.078) 6.907 16.984 ( 12.076 -4.577 -13.020) 18.338 18.617 ( 13.030 -18.061 1.899) 22.351 18.731 ( 7.966 -2.247 0.579) 8.297 19.449 ( 8.578 1.961 -0.204) 8.801 19.920 ( -13.267 2.050 -20.131) 24.196 21.475 ( -9.029 -3.201 25.497) 27.237 23.509 ( 0.812 6.669 -0.147) 6.719 23.712 ( -0.542 4.943 -0.468) 4.994 ======================= Grid point 388 (200/230) ======================= q-point: (-0.10 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -4.143 2.900 14.187) 15.061 2.359 ( -7.256 12.166 11.102) 17.997 2.863 ( 1.056 4.188 -4.753) 6.422 3.079 ( -0.662 5.698 -8.261) 10.058 3.690 ( 9.072 -5.102 6.657) 12.355 3.902 ( 4.957 -1.417 -6.519) 8.311 4.282 ( -0.928 4.087 24.872) 25.223 4.621 ( 2.066 -2.658 17.637) 17.956 4.995 ( -5.455 -0.303 -12.075) 13.254 5.226 ( -5.687 -5.646 -10.371) 13.106 5.627 ( 2.953 0.320 3.117) 4.306 5.732 ( -3.173 4.628 3.067) 6.395 6.643 ( -3.887 2.101 -0.720) 4.476 6.686 ( -2.831 4.286 -3.752) 6.361 7.582 ( 1.235 4.058 8.105) 9.148 7.885 ( -3.707 3.983 -7.140) 8.978 8.559 ( 5.518 2.538 -10.080) 11.768 8.744 ( -12.555 3.545 12.322) 17.945 9.105 ( 12.393 -2.678 12.174) 17.578 9.970 ( -8.035 -6.786 -11.481) 15.570 10.173 ( 1.264 4.063 10.360) 11.200 10.693 ( -13.100 7.073 -4.787) 15.638 11.365 ( 8.293 4.263 -3.041) 9.808 11.701 ( -4.094 10.993 -0.159) 11.732 13.671 ( 7.679 -4.559 8.366) 12.237 14.242 ( -7.408 -3.265 -11.650) 14.186 14.577 ( 10.227 -3.376 0.369) 10.776 14.870 ( -5.311 -3.271 2.981) 6.913 17.287 ( 21.836 -9.972 -8.457) 25.451 18.449 ( -28.414 -24.123 -6.630) 37.858 18.961 ( 10.400 -1.039 -1.320) 10.534 19.177 ( -11.564 2.513 -2.599) 12.115 20.332 ( 37.633 2.992 -3.151) 37.883 21.249 ( -20.164 -2.383 19.565) 28.197 23.546 ( 2.677 9.534 1.164) 9.971 23.690 ( -1.498 6.600 -1.636) 6.963 ======================= Grid point 389 (201/230) ======================= q-point: ( 0.00 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 2.548 12.556 15.543) 20.143 2.531 ( -3.502 15.217 1.002) 15.647 2.994 ( 1.542 5.968 5.115) 8.010 3.247 ( 0.883 7.265 -15.029) 16.717 3.738 ( 3.079 -2.118 5.483) 6.636 3.876 ( -2.441 -0.377 -7.543) 7.937 4.501 ( 4.788 6.224 25.162) 26.359 4.598 ( 3.052 -8.554 18.731) 20.817 4.904 ( -0.734 1.135 -11.513) 11.592 4.942 ( -6.398 -7.225 -15.509) 18.266 5.670 ( -1.744 -0.139 6.554) 6.784 5.767 ( 1.134 1.095 -2.037) 2.576 6.579 ( -6.740 5.984 13.074) 15.879 6.892 ( 7.537 7.928 -15.884) 19.286 7.750 ( -0.438 6.438 9.096) 11.153 7.913 ( 0.212 6.676 -6.108) 9.051 8.632 ( -10.170 5.469 7.776) 13.921 8.767 ( 10.191 3.616 -5.498) 12.131 9.305 ( 12.282 -4.456 10.649) 16.856 9.544 ( -14.261 -8.785 -11.463) 20.296 10.418 ( 9.952 6.096 11.640) 16.483 10.656 ( -3.885 5.780 -11.269) 13.247 11.718 ( 2.992 15.217 2.916) 15.780 11.837 ( -1.731 13.833 -7.701) 15.927 13.721 ( 8.157 -8.919 9.634) 15.456 13.948 ( -8.459 -8.601 -12.139) 17.114 14.641 ( 4.699 -6.829 0.932) 8.341 14.683 ( -2.315 -4.615 -2.818) 5.882 17.190 ( -11.999 -23.913 17.461) 31.948 17.537 ( 3.193 -18.097 -16.421) 24.644 19.034 ( -6.887 -0.415 3.280) 7.639 19.113 ( 6.218 0.016 -4.318) 7.571 20.828 ( -23.570 1.189 9.154) 25.313 20.980 ( 29.763 -2.989 -5.363) 30.390 23.819 ( 0.227 8.928 -0.516) 8.946 23.829 ( -0.055 10.866 -1.676) 10.995 ======================= Grid point 390 (202/230) ======================= q-point: ( 0.10 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -1.271 10.478 7.636) 13.027 2.580 ( 7.207 15.568 7.100) 18.566 3.024 ( 0.196 7.143 2.937) 7.726 3.206 ( -0.933 2.928 -15.265) 15.571 3.692 ( -7.317 -4.154 -1.124) 8.488 3.790 ( -4.696 -0.081 -2.276) 5.219 4.548 ( -7.461 -3.031 9.914) 12.773 4.744 ( 3.822 -10.425 13.438) 17.432 4.838 ( 2.485 5.160 -2.257) 6.156 4.928 ( 6.481 0.094 -9.389) 11.409 5.629 ( -2.379 -0.485 3.983) 4.665 5.830 ( 4.410 1.386 -0.136) 4.624 6.506 ( -4.027 6.993 11.190) 13.796 7.016 ( 9.230 6.232 -14.610) 18.371 7.696 ( -5.350 3.902 4.914) 8.246 7.975 ( 5.363 9.690 -1.971) 11.249 8.499 ( -5.513 7.653 7.462) 12.026 8.958 ( 7.925 -1.407 -4.805) 9.374 9.227 ( -11.689 -4.105 -7.720) 14.597 9.571 ( 11.390 -4.857 10.228) 16.060 10.602 ( 1.661 6.805 -15.718) 17.209 10.708 ( 17.084 4.571 5.325) 18.469 11.547 ( -12.163 14.222 -2.432) 18.871 12.010 ( 12.517 15.070 -3.646) 19.927 13.719 ( -9.359 -10.086 -9.135) 16.516 13.897 ( 3.749 -10.217 7.565) 13.254 14.559 ( -4.156 -1.854 -3.343) 5.647 14.802 ( 7.013 -7.769 -1.397) 10.559 16.816 ( -20.795 -12.360 16.954) 29.541 17.827 ( 18.619 -26.749 -1.761) 32.639 18.896 ( -8.418 -1.068 2.189) 8.763 19.211 ( 5.529 1.413 -1.519) 5.906 20.363 ( -25.714 7.082 4.200) 27.000 21.481 ( 24.088 -8.229 -12.217) 28.235 23.734 ( -5.858 8.000 -0.905) 9.956 23.861 ( 0.830 9.135 -1.070) 9.235 ======================= Grid point 391 (203/230) ======================= q-point: ( 0.20 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 2.002 6.650 3.803) 7.918 2.741 ( 5.430 11.966 8.045) 15.407 3.010 ( -0.753 8.458 -4.551) 9.634 3.174 ( 1.148 -1.304 -8.592) 8.766 3.528 ( -7.510 -6.465 -7.256) 12.282 3.688 ( -5.356 -1.724 0.302) 5.635 4.309 ( -14.892 -9.630 -6.320) 18.827 4.711 ( -8.535 -10.718 7.466) 15.603 4.975 ( 9.308 7.765 6.973) 13.984 5.135 ( 12.931 2.332 0.350) 13.144 5.620 ( 0.801 1.294 2.198) 2.673 5.910 ( 3.569 2.303 0.419) 4.268 6.477 ( -1.402 7.204 9.134) 11.717 7.165 ( 8.901 4.633 -11.376) 15.170 7.603 ( -5.119 1.204 3.912) 6.554 8.051 ( 1.990 8.725 -2.594) 9.318 8.451 ( -1.924 7.447 9.268) 12.044 8.847 ( -9.887 -5.973 -6.782) 13.395 9.281 ( 11.788 2.018 -0.041) 11.959 9.808 ( 10.819 -2.263 8.631) 14.024 10.620 ( 3.538 6.780 -16.063) 17.790 11.025 ( 11.782 0.386 -7.131) 13.778 11.353 ( -4.279 17.450 5.196) 18.704 12.226 ( 11.025 16.313 -7.993) 21.250 13.508 ( -9.908 -11.748 -9.060) 17.841 13.897 ( -6.585 -11.335 8.720) 15.744 14.537 ( 2.922 1.268 -1.515) 3.527 14.908 ( 4.520 -7.965 -2.441) 9.478 16.580 ( -7.647 -4.096 17.559) 19.585 18.092 ( 7.331 -26.995 1.140) 27.996 18.719 ( -10.167 -1.194 -0.167) 10.238 19.356 ( 8.651 -0.176 4.157) 9.600 19.915 ( -19.645 12.492 3.811) 23.590 21.820 ( 14.902 -9.940 -19.174) 26.239 23.607 ( -6.907 4.442 0.203) 8.215 23.854 ( -1.225 6.680 -1.399) 6.934 ======================= Grid point 392 (204/230) ======================= q-point: ( 0.30 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 4.786 1.275 1.064) 5.065 2.770 ( -1.107 6.964 -4.121) 8.167 3.013 ( -1.253 1.492 1.098) 2.237 3.181 ( 0.863 4.682 -3.312) 5.800 3.418 ( -1.457 -9.092 -8.080) 12.251 3.614 ( -0.890 -5.474 -1.171) 5.668 4.008 ( -14.196 -11.274 -5.421) 18.921 4.511 ( -13.359 -10.839 5.444) 18.044 5.172 ( 9.017 7.122 7.482) 13.712 5.357 ( 9.535 2.898 -1.102) 10.026 5.671 ( 4.012 4.436 1.995) 6.305 5.954 ( 0.523 3.752 0.811) 3.874 6.503 ( 2.239 7.241 7.980) 11.006 7.251 ( 0.531 5.597 -7.890) 9.688 7.542 ( -1.126 -2.900 5.542) 6.355 8.024 ( -2.897 2.319 -6.563) 7.540 8.447 ( -1.245 3.062 10.737) 11.234 8.743 ( 0.253 2.962 -4.027) 5.006 9.520 ( 12.013 1.435 3.128) 12.496 10.005 ( 7.372 0.062 4.705) 8.746 10.636 ( 1.073 3.879 -9.930) 10.715 11.021 ( -3.093 10.067 -10.190) 14.654 11.513 ( 12.821 10.600 6.168) 17.742 12.368 ( 5.904 15.782 -15.375) 22.811 13.323 ( -6.673 -11.720 -4.515) 14.222 13.722 ( -12.414 -7.909 8.046) 16.775 14.630 ( 5.539 0.109 1.953) 5.875 14.961 ( 1.778 -7.672 -3.392) 8.575 16.608 ( 6.151 1.094 14.703) 15.976 18.090 ( -7.336 -13.374 -2.343) 15.433 18.540 ( -6.658 -3.944 -1.174) 7.827 19.299 ( -16.270 6.828 -2.131) 17.773 19.903 ( 15.868 1.072 19.368) 25.061 21.942 ( 3.010 -9.350 -26.091) 27.878 23.499 ( -3.888 -0.087 2.628) 4.694 23.811 ( -2.706 3.720 -2.246) 5.119 ======================= Grid point 393 (205/230) ======================= q-point: ( 0.40 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 3.390 -1.378 -4.974) 6.175 2.786 ( 2.914 1.729 -0.540) 3.431 2.876 ( -9.075 -1.738 -3.252) 9.795 3.187 ( -2.847 0.758 -5.107) 5.896 3.404 ( 2.065 -6.527 3.181) 7.549 3.665 ( 0.752 -15.576 -1.623) 15.679 3.807 ( -0.074 -4.743 -3.871) 6.123 4.249 ( -14.485 -10.161 2.408) 17.857 5.340 ( 6.486 6.872 6.156) 11.278 5.477 ( 3.474 4.012 -1.674) 5.565 5.774 ( 5.735 6.490 1.235) 8.749 5.928 ( -3.490 5.643 1.890) 6.899 6.609 ( 7.046 6.858 7.036) 12.091 7.134 ( -9.169 5.749 -6.321) 12.533 7.589 ( 2.611 -5.526 9.327) 11.151 7.949 ( -2.417 -3.027 -9.315) 10.088 8.469 ( 0.826 0.628 11.835) 11.880 8.770 ( 2.264 6.918 -6.250) 9.594 9.730 ( 8.148 2.196 6.283) 10.521 10.088 ( 1.153 2.116 -4.199) 4.842 10.631 ( -0.292 2.455 5.708) 6.220 10.979 ( 0.948 13.692 -11.375) 17.826 11.737 ( 8.561 8.630 5.795) 13.467 12.348 ( -3.643 11.203 -19.967) 23.183 13.274 ( 2.646 -7.646 -0.787) 8.129 13.502 ( -11.713 -5.060 6.944) 14.526 14.733 ( 4.127 -1.863 4.525) 6.401 14.962 ( -0.740 -6.696 -4.123) 7.898 16.864 ( 16.809 4.291 10.761) 20.414 17.826 ( -17.596 -0.985 -6.286) 18.711 18.506 ( 3.071 -3.467 -0.238) 4.637 18.954 ( -17.170 7.547 -2.488) 18.919 20.340 ( 21.220 -6.293 26.836) 34.786 21.806 ( -9.714 -9.178 -31.026) 33.782 23.488 ( 1.811 -2.843 4.229) 5.408 23.742 ( -3.710 1.056 -3.490) 5.202 ======================= Grid point 394 (206/230) ======================= q-point: (-0.50 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -3.739 -1.398 -1.330) 4.208 2.615 ( -2.690 -0.222 -3.536) 4.449 2.939 ( 2.802 -3.400 4.428) 6.246 3.055 ( -4.087 -6.583 -4.807) 9.119 3.470 ( -1.931 -6.540 6.774) 9.611 3.606 ( 2.608 -9.125 -3.316) 10.053 3.980 ( -6.955 -4.046 -0.812) 8.087 4.008 ( 9.205 -11.807 -3.998) 15.496 5.424 ( -0.276 5.995 5.436) 8.097 5.497 ( -0.250 5.785 -1.439) 5.966 5.836 ( -4.474 6.689 4.122) 9.042 5.884 ( 3.503 6.726 -0.327) 7.590 6.797 ( 10.501 6.372 5.984) 13.663 6.935 ( -8.861 5.281 -7.174) 12.564 7.639 ( -1.040 -7.824 12.643) 14.905 7.894 ( -0.519 -4.219 -10.425) 11.258 8.517 ( 0.449 1.477 13.028) 13.120 8.778 ( 0.884 5.481 -10.899) 12.231 9.823 ( -1.830 3.170 11.127) 11.713 10.076 ( 1.634 3.843 -12.156) 12.853 10.644 ( -2.059 4.916 16.131) 16.989 10.967 ( 0.241 9.465 -13.647) 16.610 11.878 ( 4.790 10.859 10.520) 15.860 12.168 ( -9.439 7.445 -16.910) 20.747 13.322 ( -7.338 -5.244 5.233) 10.428 13.407 ( 9.790 -4.040 -3.085) 11.031 14.805 ( 1.858 -3.764 6.048) 7.361 14.918 ( -2.489 -4.936 -4.487) 7.120 17.267 ( 21.965 5.191 7.619) 23.821 17.449 ( -18.529 3.594 -9.524) 21.141 18.609 ( -0.580 3.195 3.958) 5.120 18.694 ( -1.224 1.246 -3.945) 4.315 20.794 ( 18.464 -7.643 30.220) 36.230 21.448 ( -19.106 -10.395 -32.602) 39.192 23.570 ( 5.073 -2.282 3.719) 6.691 23.659 ( -3.718 -0.553 -4.769) 6.072 ======================= Grid point 395 (207/230) ======================= q-point: (-0.40 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -8.669 1.985 5.068) 10.236 2.740 ( 1.109 -2.343 4.581) 5.263 2.826 ( -1.332 -5.580 2.620) 6.307 3.151 ( 6.404 -2.824 0.182) 7.001 3.376 ( -5.724 -5.682 1.005) 8.128 3.738 ( 5.656 -4.510 2.690) 7.718 3.781 ( -4.086 -6.988 -9.748) 12.671 4.293 ( 15.245 -9.928 -1.120) 18.227 5.345 ( -8.082 4.703 4.633) 10.436 5.474 ( -2.504 6.079 -0.365) 6.584 5.747 ( -5.084 5.681 3.545) 8.408 5.941 ( 1.626 6.258 0.664) 6.500 6.782 ( -4.672 5.244 -9.246) 11.611 7.014 ( 9.502 6.341 5.178) 12.542 7.590 ( -6.445 -9.296 10.657) 15.541 7.894 ( 2.545 -3.354 -6.153) 7.455 8.539 ( -0.641 4.328 10.041) 10.952 8.758 ( -0.512 3.041 -10.095) 10.556 9.720 ( -10.114 5.246 7.893) 13.860 10.104 ( 2.618 1.943 -7.841) 8.491 10.595 ( -7.287 7.829 14.304) 17.860 10.921 ( -1.603 2.988 -9.217) 9.821 11.925 ( -9.722 7.729 -7.938) 14.740 12.001 ( 2.816 15.724 9.189) 18.428 13.233 ( -2.501 -7.585 3.238) 8.618 13.625 ( 13.160 -4.734 -5.142) 14.901 14.794 ( -4.675 -4.467 1.091) 6.557 14.884 ( 0.188 -3.778 0.810) 3.869 17.107 ( -13.395 4.198 -12.139) 18.558 17.706 ( 20.991 2.218 5.107) 21.717 18.482 ( -4.387 -3.257 1.999) 5.818 18.914 ( 15.749 5.999 1.232) 16.898 20.943 ( -24.889 -10.538 -30.562) 40.799 21.168 ( 12.058 -6.894 29.757) 32.839 23.588 ( -1.832 -0.539 -5.242) 5.579 23.682 ( 5.404 0.531 2.145) 5.838 ======================= Grid point 396 (208/230) ======================= q-point: (-0.30 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -3.836 4.591 12.059) 13.461 2.618 ( -7.036 -0.587 10.860) 12.953 3.019 ( 11.657 -1.574 3.165) 12.181 3.203 ( -0.600 2.971 -2.101) 3.688 3.291 ( -3.016 -2.622 -0.851) 4.086 3.690 ( 1.394 -1.152 -6.270) 6.525 3.930 ( 9.682 -11.564 0.661) 15.097 4.550 ( 10.483 -5.734 2.380) 12.184 5.178 ( -9.550 0.527 3.723) 10.263 5.400 ( -4.713 4.672 -2.071) 6.952 5.659 ( -4.740 4.248 2.919) 7.003 5.943 ( -1.702 5.053 1.767) 5.617 6.713 ( -0.043 5.723 -11.651) 12.981 7.106 ( -3.569 3.667 5.787) 7.725 7.520 ( -0.748 -4.298 8.711) 9.743 7.952 ( 4.100 -1.546 -1.674) 4.691 8.567 ( 2.366 4.211 6.308) 7.945 8.701 ( -3.359 3.005 -6.734) 8.104 9.502 ( -13.824 6.078 5.036) 15.919 10.107 ( -1.223 -1.505 -5.383) 5.721 10.447 ( -10.182 7.943 10.126) 16.410 10.890 ( -0.267 -0.529 0.550) 0.808 11.698 ( -10.099 10.752 -10.606) 18.168 12.082 ( 1.384 19.646 10.733) 22.430 13.246 ( 2.959 -10.342 3.714) 11.380 13.866 ( 13.153 -7.682 -6.306) 16.486 14.672 ( -7.437 -2.144 -1.361) 7.859 14.887 ( -0.885 -4.911 2.892) 5.768 16.903 ( -4.396 1.390 -13.125) 13.912 18.040 ( 11.540 -10.602 2.349) 15.845 18.510 ( 7.270 -3.513 1.612) 8.233 19.248 ( 17.742 7.336 2.850) 19.409 20.371 ( -26.257 -6.768 -25.817) 37.440 21.384 ( 2.736 -5.638 27.402) 28.109 23.576 ( 2.041 1.960 -4.639) 5.434 23.779 ( 4.191 3.901 0.816) 5.783 ======================= Grid point 397 (209/230) ======================= q-point: (-0.20 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -3.056 7.372 12.433) 14.774 2.586 ( -0.530 5.448 19.138) 19.905 3.073 ( -5.293 7.721 -8.771) 12.828 3.212 ( 2.674 7.678 -8.422) 11.706 3.354 ( 10.057 -6.164 8.548) 14.568 3.765 ( 6.555 -2.118 -5.199) 8.631 4.122 ( 9.273 -10.135 7.980) 15.886 4.657 ( -1.797 3.907 12.062) 12.806 5.035 ( -4.752 -7.103 -3.315) 9.166 5.281 ( -6.696 1.287 -7.048) 9.806 5.605 ( -1.012 2.618 4.041) 4.920 5.891 ( -3.940 3.862 1.959) 5.854 6.717 ( 3.093 6.154 -12.469) 14.245 6.944 ( -12.190 2.325 8.585) 15.089 7.588 ( 4.119 2.239 6.535) 8.043 8.011 ( 1.222 2.104 -0.701) 2.532 8.623 ( -2.050 4.320 -5.693) 7.434 8.681 ( 7.803 0.025 7.960) 11.146 9.234 ( -14.572 6.081 4.383) 16.387 10.014 ( -6.646 -5.512 -10.152) 13.327 10.307 ( -6.405 7.543 13.895) 17.059 10.886 ( -2.264 -1.796 4.307) 5.187 11.530 ( -3.383 14.938 -10.036) 18.312 12.085 ( -3.147 19.662 4.634) 20.445 13.357 ( 7.037 -10.863 6.157) 14.333 14.075 ( 9.454 -11.437 -8.506) 17.104 14.527 ( -6.344 -0.058 -0.350) 6.354 14.856 ( -3.032 -5.278 2.032) 6.417 16.883 ( 5.208 -4.632 -10.863) 12.906 18.127 ( -2.940 -27.406 -2.334) 27.662 18.726 ( 13.163 0.225 -0.934) 13.198 19.454 ( -5.237 -1.098 -4.396) 6.925 20.019 ( 4.809 7.296 -7.511) 11.522 21.392 ( -7.944 -4.754 21.898) 23.775 23.641 ( 5.230 5.846 -2.971) 8.388 23.842 ( 2.236 7.117 -0.229) 7.464 ======================= Grid point 398 (210/230) ======================= q-point: (-0.10 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -0.274 10.929 13.498) 17.370 2.606 ( -3.563 11.692 13.023) 17.860 2.975 ( -1.413 6.990 -2.793) 7.659 3.241 ( 2.922 9.401 -12.637) 16.019 3.582 ( 10.363 -4.183 6.665) 13.012 3.871 ( 4.781 -1.487 -6.735) 8.392 4.320 ( 7.901 -4.126 18.729) 20.742 4.592 ( -6.035 3.039 18.595) 19.785 4.960 ( -2.524 -5.678 -8.348) 10.407 5.117 ( -7.727 -2.422 -11.917) 14.408 5.636 ( 2.387 0.351 4.292) 4.924 5.813 ( -4.193 2.621 0.724) 4.998 6.702 ( -7.769 3.720 9.185) 12.592 6.812 ( 2.919 8.102 -11.601) 14.448 7.682 ( 3.964 5.442 6.832) 9.592 7.977 ( -3.638 4.473 -3.096) 6.544 8.631 ( 4.511 4.292 -4.870) 7.905 8.803 ( -4.471 1.807 9.549) 10.697 9.078 ( 3.747 0.798 6.047) 7.158 9.817 ( -10.906 -8.035 -12.268) 18.276 10.285 ( 0.784 6.823 14.746) 16.267 10.790 ( -7.181 1.891 -3.002) 8.010 11.558 ( 7.362 15.101 -3.315) 17.124 11.987 ( -7.222 17.059 -1.692) 18.601 13.530 ( 8.906 -9.645 8.334) 15.550 14.112 ( -3.794 -10.424 -12.024) 16.359 14.506 ( 4.783 -3.087 1.904) 6.003 14.782 ( -4.866 -5.156 0.104) 7.091 17.040 ( 12.334 -13.368 -3.397) 18.503 17.885 ( -20.387 -29.613 -8.359) 36.911 18.954 ( 10.608 -0.020 -3.393) 11.138 19.202 ( -11.646 0.445 -1.143) 11.710 20.412 ( 28.615 4.765 -0.345) 29.011 21.194 ( -17.157 -2.849 15.418) 23.242 23.741 ( 5.360 8.925 -1.621) 10.537 23.860 ( -0.275 9.363 -0.868) 9.407 ======================= Grid point 399 (211/230) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 0.916 11.999 15.891) 19.933 2.842 ( 0.517 15.318 -3.498) 15.721 3.113 ( 1.280 5.293 5.250) 7.564 3.299 ( -2.454 -1.628 -7.954) 8.482 3.766 ( 0.081 3.820 4.476) 5.885 3.932 ( 0.763 6.353 -9.755) 11.666 4.356 ( 7.184 -12.470 18.453) 23.401 4.612 ( -4.726 -3.293 6.048) 8.352 4.793 ( 1.543 1.352 -1.859) 2.768 4.992 ( -1.620 4.005 -9.201) 10.165 5.636 ( -3.443 -3.230 7.251) 8.653 5.748 ( 1.175 -2.801 -2.480) 3.921 6.712 ( -4.881 6.698 14.773) 16.939 7.071 ( 6.156 9.442 -17.864) 21.123 7.857 ( -1.232 4.093 8.112) 9.170 8.022 ( 2.659 2.975 -7.239) 8.266 8.708 ( -5.420 2.758 11.510) 13.018 8.874 ( 6.082 6.503 -4.240) 9.861 9.229 ( 11.208 -3.541 5.342) 12.911 9.400 ( -13.352 -5.376 -9.954) 17.500 10.526 ( 7.694 4.518 11.582) 14.620 10.717 ( -1.774 1.029 -6.616) 6.927 12.080 ( 4.709 19.593 1.163) 20.185 12.160 ( -4.723 17.974 -5.706) 19.440 13.491 ( 7.705 -13.779 8.830) 18.088 13.706 ( -7.748 -15.366 -11.727) 20.825 14.510 ( 3.703 -5.564 3.106) 7.370 14.606 ( -2.234 -2.935 -6.189) 7.205 16.762 ( -10.030 -17.642 20.796) 29.057 17.195 ( 3.727 -14.772 -21.223) 26.125 19.030 ( -8.233 -0.033 3.033) 8.774 19.112 ( 7.317 -0.121 -4.862) 8.786 20.854 ( -18.194 1.339 6.344) 19.315 20.938 ( 22.602 -1.243 -1.686) 22.699 23.977 ( -0.141 6.585 0.450) 6.602 24.006 ( -0.230 6.497 -2.400) 6.930 ======================= Grid point 400 (212/230) ======================= q-point: ( 0.10 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -3.183 10.959 8.624) 14.304 2.899 ( 5.632 14.921 -0.679) 15.963 3.158 ( 0.785 5.191 8.564) 10.045 3.207 ( -4.674 -1.874 -9.233) 10.517 3.680 ( -8.343 3.265 1.235) 9.044 3.832 ( -7.754 4.038 -7.743) 11.679 4.379 ( -11.446 -12.639 1.236) 17.097 4.515 ( -2.528 -11.966 3.624) 12.756 4.936 ( 10.680 6.285 9.967) 15.903 5.037 ( 7.659 7.709 -8.898) 14.045 5.585 ( -1.676 -3.838 6.644) 7.854 5.824 ( 5.332 -2.024 0.458) 5.722 6.662 ( -3.675 7.964 12.350) 15.148 7.145 ( 6.262 6.145 -17.274) 19.374 7.776 ( -7.087 3.973 3.926) 9.023 8.091 ( 4.184 0.761 -4.981) 6.549 8.649 ( -2.642 7.647 8.077) 11.432 8.953 ( -2.623 1.505 -4.583) 5.491 9.199 ( -0.452 0.738 -2.303) 2.461 9.481 ( 13.522 -4.355 4.452) 14.887 10.685 ( 2.068 2.404 -10.480) 10.949 10.771 ( 13.408 1.499 2.913) 13.803 11.919 ( -9.626 21.798 -2.492) 23.959 12.339 ( 12.682 16.787 -0.812) 21.055 13.466 ( -10.844 -14.869 -8.747) 20.376 13.641 ( 2.171 -14.886 6.366) 16.335 14.531 ( -0.025 -1.325 -2.855) 3.148 14.644 ( 5.465 -7.002 -1.249) 8.969 16.587 ( -10.414 -9.809 20.417) 24.930 17.351 ( 13.714 -19.500 -10.207) 25.933 18.879 ( -8.727 -0.658 2.639) 9.141 19.228 ( 6.224 0.467 -2.256) 6.636 20.495 ( -19.849 5.690 2.646) 20.818 21.338 ( 19.620 -5.776 -7.048) 21.633 23.875 ( -8.262 5.657 -0.378) 10.020 24.012 ( -0.954 5.681 -0.578) 5.789 ======================= Grid point 401 (213/230) ======================= q-point: ( 0.20 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -2.155 9.121 3.088) 9.868 2.982 ( 0.773 9.351 -0.483) 9.395 3.095 ( -4.441 -0.236 -3.522) 5.673 3.183 ( 0.672 3.806 5.360) 6.608 3.506 ( -7.906 5.807 -7.528) 12.365 3.656 ( -8.471 -1.484 -2.817) 9.049 4.075 ( -16.517 -13.408 -8.602) 22.947 4.425 ( -9.048 -16.253 6.284) 19.635 5.165 ( 9.479 9.359 10.954) 17.246 5.217 ( 12.380 5.871 -6.190) 15.035 5.622 ( 3.749 -1.258 5.646) 6.893 5.923 ( 4.492 -1.081 1.527) 4.866 6.639 ( -1.159 8.495 8.824) 12.303 7.237 ( 7.226 1.939 -14.433) 16.257 7.638 ( -7.813 2.113 2.380) 8.436 8.091 ( -4.270 -3.911 -5.869) 8.245 8.618 ( -3.286 9.223 8.551) 12.999 8.843 ( -1.677 3.781 -4.771) 6.314 9.339 ( 10.364 3.878 5.891) 12.536 9.753 ( 13.495 -3.415 2.207) 14.095 10.689 ( 0.977 1.092 -11.046) 11.142 11.039 ( 13.282 1.043 -8.773) 15.952 11.787 ( -3.089 24.365 2.121) 24.652 12.570 ( 11.391 17.047 -3.248) 20.758 13.222 ( -11.586 -16.228 -8.834) 21.809 13.642 ( -3.912 -13.945 7.584) 16.349 14.557 ( 3.200 0.586 -1.538) 3.599 14.738 ( 4.321 -8.298 -1.405) 9.460 16.520 ( -0.838 -1.654 19.110) 19.199 17.604 ( 13.486 -20.690 -4.064) 25.030 18.696 ( -10.906 -1.028 0.721) 10.978 19.352 ( 6.374 -0.185 2.417) 6.819 20.138 ( -16.883 9.428 2.131) 19.454 21.633 ( 13.270 -8.190 -13.640) 20.717 23.684 ( -11.050 3.096 0.729) 11.498 23.963 ( -3.748 4.131 -0.659) 5.616 ======================= Grid point 402 (214/230) ======================= q-point: ( 0.30 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -0.764 4.955 0.579) 5.047 2.910 ( -4.050 3.961 -10.130) 11.606 3.011 ( -6.421 1.514 3.739) 7.583 3.210 ( -0.069 -2.323 0.411) 2.360 3.369 ( -4.712 2.554 -11.074) 12.303 3.504 ( -6.267 -2.535 0.954) 6.827 3.786 ( -10.086 -10.814 -3.512) 15.199 4.227 ( -12.007 -16.146 3.820) 20.480 5.357 ( 8.302 10.256 8.073) 15.468 5.426 ( 9.671 3.641 -2.802) 10.706 5.737 ( 6.591 1.779 3.840) 7.832 5.992 ( 1.986 0.022 2.082) 2.877 6.668 ( 2.502 8.939 6.274) 11.204 7.337 ( 5.124 1.255 -10.401) 11.663 7.493 ( -7.395 -1.146 2.276) 7.822 7.926 ( -9.044 -8.429 -7.220) 14.316 8.569 ( -3.903 7.824 12.194) 15.004 8.891 ( 5.918 8.922 -6.372) 12.459 9.567 ( 11.083 3.212 8.632) 14.410 9.981 ( 9.450 -2.356 -0.262) 9.742 10.668 ( -0.640 0.303 -3.943) 4.006 11.193 ( 6.167 6.388 -17.917) 19.997 11.828 ( 5.475 19.800 6.060) 21.418 12.698 ( 0.544 16.024 -11.553) 19.762 13.045 ( -2.253 -15.415 -1.738) 15.676 13.543 ( -7.851 -9.927 7.278) 14.600 14.627 ( 3.698 -0.380 1.148) 3.891 14.798 ( 2.414 -8.045 -2.369) 8.727 16.652 ( 10.146 3.241 15.673) 18.950 17.811 ( 7.679 -13.265 -2.641) 15.553 18.487 ( -9.350 -1.764 -1.121) 9.581 19.382 ( -7.741 1.860 0.124) 7.963 19.976 ( 2.273 5.412 12.132) 13.477 21.753 ( 2.748 -8.839 -21.517) 23.424 23.495 ( -8.021 -0.317 3.617) 8.805 23.872 ( -5.306 2.298 -1.879) 6.080 ======================= Grid point 403 (215/230) ======================= q-point: ( 0.40 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 0.510 0.015 -1.459) 1.545 2.837 ( -7.958 1.866 -3.510) 8.896 2.861 ( -1.763 0.618 -7.802) 8.022 3.075 ( -12.403 -8.559 -0.370) 15.074 3.334 ( 4.446 -6.446 -6.628) 10.259 3.446 ( -2.585 -1.916 1.765) 3.670 3.707 ( 1.514 -4.899 2.207) 5.582 4.015 ( -10.010 -12.140 0.247) 15.737 5.508 ( 5.036 8.854 7.225) 12.488 5.564 ( 5.416 4.539 -1.770) 7.285 5.873 ( 6.484 3.088 1.679) 7.376 6.000 ( -1.931 1.565 2.913) 3.830 6.769 ( 6.787 8.898 4.838) 12.191 7.255 ( -9.724 5.974 -6.103) 12.942 7.469 ( 1.717 -6.381 5.215) 8.418 7.775 ( -3.799 -11.571 -10.968) 16.390 8.545 ( -1.887 5.468 16.353) 17.346 8.967 ( 3.335 10.634 -12.181) 16.509 9.774 ( 7.275 1.856 10.449) 12.867 10.099 ( 3.967 -0.526 -5.885) 7.117 10.679 ( 1.521 2.223 8.690) 9.098 11.210 ( 0.479 8.841 -18.733) 20.720 11.969 ( 6.878 14.037 6.279) 16.846 12.538 ( -10.463 5.591 -12.891) 17.519 13.136 ( 8.652 -4.417 -0.256) 9.718 13.393 ( -9.073 -5.700 6.542) 12.554 14.692 ( 2.379 -2.008 3.219) 4.478 14.820 ( 0.715 -6.927 -3.244) 7.682 16.965 ( 18.578 5.346 10.377) 21.941 17.794 ( -9.571 -2.053 -4.259) 10.675 18.446 ( 7.038 -2.401 -0.868) 7.487 19.092 ( -18.916 5.875 -2.971) 20.029 20.233 ( 16.553 -3.939 23.254) 28.815 21.615 ( -10.833 -9.217 -27.918) 31.332 23.433 ( 0.612 -2.457 5.949) 6.465 23.758 ( -5.758 0.509 -3.933) 6.992 ======================= Grid point 404 (216/230) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 1.372 -2.779 1.615) 3.495 2.619 ( -7.430 -0.066 -5.619) 9.315 2.853 ( -9.779 -6.011 4.426) 12.303 2.923 ( 5.575 -3.484 -1.529) 6.749 3.375 ( -3.939 -4.899 -0.368) 6.297 3.449 ( 7.793 -5.224 -6.653) 11.501 3.796 ( 2.411 -8.122 3.399) 9.129 3.878 ( -0.024 -5.808 -4.393) 7.282 5.559 ( -1.717 6.923 5.723) 9.145 5.626 ( 1.177 6.438 -0.693) 6.582 5.937 ( -4.795 3.332 4.339) 7.275 5.980 ( 3.937 2.747 0.373) 4.815 6.942 ( 9.267 7.819 4.269) 12.855 7.054 ( -8.197 6.432 -6.421) 12.239 7.470 ( -4.323 -8.474 11.331) 14.795 7.737 ( 2.765 -10.193 -14.144) 17.652 8.573 ( 0.094 3.694 19.042) 19.397 8.955 ( -0.585 9.901 -16.556) 19.299 9.864 ( -1.127 0.959 12.739) 12.825 10.134 ( 2.351 2.018 -11.575) 11.982 10.745 ( 0.941 4.769 17.889) 18.537 11.122 ( -5.111 5.795 -17.373) 19.014 12.116 ( 6.735 11.863 8.477) 16.060 12.313 ( -9.281 6.241 -10.233) 15.159 13.222 ( -7.672 -4.241 6.514) 10.921 13.329 ( 8.979 -3.453 -3.360) 10.190 14.727 ( 0.132 -3.601 4.187) 5.524 14.814 ( -0.256 -5.106 -3.742) 6.336 17.374 ( 20.905 5.167 5.011) 22.109 17.514 ( -15.387 2.683 -8.117) 17.602 18.677 ( 7.299 3.203 2.249) 8.282 18.726 ( -9.961 1.957 -2.377) 10.426 20.638 ( 18.196 -7.310 28.317) 34.444 21.240 ( -20.051 -9.631 -29.445) 36.902 23.526 ( 6.689 -1.964 5.145) 8.664 23.644 ( -4.417 -0.793 -6.206) 7.659 ======================= Grid point 405 (217/230) ======================= q-point: (-0.40 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -4.975 2.169 3.996) 6.740 2.693 ( -6.365 -2.203 8.946) 11.198 2.733 ( 9.354 -3.681 4.063) 10.842 3.064 ( 8.087 -5.778 2.303) 10.203 3.314 ( -1.026 -0.311 -4.309) 4.440 3.576 ( 6.463 -6.301 -9.249) 12.923 3.743 ( -2.313 -1.197 -2.708) 3.757 4.048 ( 12.879 -13.318 -1.573) 18.593 5.467 ( -9.018 6.591 5.694) 12.537 5.600 ( -3.632 5.801 -0.364) 6.854 5.847 ( -5.489 4.212 4.198) 8.092 6.025 ( 0.464 2.040 0.628) 2.185 6.896 ( -4.730 6.034 -6.837) 10.273 7.150 ( 7.811 6.666 3.471) 10.839 7.386 ( -4.901 -9.927 10.169) 15.032 7.792 ( 5.450 -6.207 -9.420) 12.528 8.620 ( -0.227 3.365 18.171) 18.482 8.889 ( -1.832 8.289 -15.080) 17.305 9.797 ( -8.296 2.638 10.064) 13.307 10.131 ( -0.222 0.817 -10.905) 10.938 10.755 ( -5.683 7.583 16.771) 19.263 10.962 ( -6.349 1.117 -9.350) 11.356 12.107 ( -7.503 10.159 -5.974) 13.971 12.311 ( 8.582 13.202 7.922) 17.627 13.088 ( -6.744 -5.643 4.145) 9.722 13.507 ( 9.679 -7.152 -4.133) 12.724 14.706 ( -3.268 -3.948 2.689) 5.787 14.804 ( -0.045 -3.985 -2.495) 4.702 17.201 ( -13.308 4.853 -11.916) 18.511 17.744 ( 13.487 1.442 0.492) 13.573 18.420 ( -9.087 -2.774 1.586) 9.632 19.032 ( 18.224 5.303 2.867) 19.195 20.752 ( -22.986 -7.845 -26.638) 36.048 21.022 ( 13.795 -7.099 28.933) 32.830 23.572 ( -0.467 -0.857 -7.060) 7.127 23.688 ( 8.308 0.031 2.522) 8.682 ======================= Grid point 406 (218/230) ======================= q-point: (-0.30 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 0.989 7.716 8.994) 11.891 2.613 ( -3.100 -0.133 14.575) 14.902 2.980 ( 12.879 -2.651 7.083) 14.935 3.215 ( 5.825 -3.149 4.556) 8.038 3.332 ( 4.517 6.850 -8.376) 11.725 3.619 ( 1.819 -4.360 -9.948) 11.013 3.765 ( 5.090 -4.324 -2.618) 7.174 4.309 ( 14.250 -16.251 -2.647) 21.776 5.266 ( -13.025 6.058 7.620) 16.261 5.494 ( -7.097 4.337 -0.911) 8.367 5.749 ( -5.458 4.682 2.941) 7.769 6.001 ( -3.050 0.632 1.114) 3.308 6.831 ( -0.263 5.881 -8.202) 10.097 7.136 ( -8.214 -1.536 7.079) 10.952 7.461 ( 8.335 -0.559 5.668) 10.095 7.899 ( 7.382 -2.945 -4.249) 9.012 8.642 ( -1.563 2.316 15.063) 15.320 8.821 ( -1.945 7.848 -10.711) 13.420 9.609 ( -13.052 4.606 6.179) 15.157 10.062 ( -4.779 -2.675 -9.149) 10.663 10.604 ( -10.580 6.996 7.336) 14.652 10.881 ( -2.937 -0.295 6.981) 7.580 11.964 ( -5.389 15.400 -6.994) 17.751 12.481 ( 5.322 18.762 8.467) 21.261 13.010 ( -1.181 -12.254 2.429) 12.548 13.670 ( 8.457 -11.931 -5.099) 15.488 14.625 ( -5.415 -2.282 1.559) 6.080 14.791 ( -0.960 -4.379 -2.031) 4.922 16.965 ( -8.034 4.803 -13.572) 16.486 17.788 ( -6.978 -13.551 -0.391) 15.247 18.472 ( 11.995 -0.797 0.081) 12.022 19.362 ( 13.785 3.847 2.145) 14.472 20.289 ( -17.365 -1.390 -18.340) 25.295 21.266 ( 4.349 -5.641 25.039) 26.033 23.603 ( 5.503 0.854 -6.437) 8.511 23.845 ( 7.297 2.415 0.762) 7.724 ======================= Grid point 407 (219/230) ======================= q-point: (-0.20 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 0.600 11.034 9.705) 14.707 2.673 ( 4.496 3.921 19.273) 20.175 3.187 ( 4.654 -1.045 -1.568) 5.021 3.277 ( 1.133 2.941 3.304) 4.566 3.445 ( 10.173 14.717 -9.204) 20.119 3.693 ( 7.880 -5.235 -2.948) 9.909 3.898 ( 8.973 -10.644 3.262) 14.299 4.547 ( 10.313 -14.377 -2.823) 17.917 5.029 ( -13.056 5.711 8.414) 16.548 5.328 ( -9.672 2.614 -2.501) 10.327 5.667 ( -3.366 3.551 2.484) 5.488 5.923 ( -5.143 -0.778 0.945) 5.287 6.830 ( 0.332 4.384 -2.767) 5.195 6.997 ( -5.356 3.201 1.519) 6.422 7.629 ( 7.578 1.708 4.441) 8.948 8.023 ( 4.730 -0.304 -0.652) 4.784 8.648 ( -0.414 -0.327 12.433) 12.445 8.787 ( 1.384 7.536 -6.769) 10.224 9.348 ( -14.935 5.181 5.260) 16.660 9.901 ( -9.270 -5.398 -11.207) 15.513 10.457 ( -6.403 6.912 11.565) 14.917 10.845 ( -3.169 -2.109 7.594) 8.494 11.886 ( -0.511 20.028 -6.566) 21.083 12.499 ( -4.811 21.086 3.138) 21.855 13.089 ( 8.086 -15.639 4.675) 18.216 13.796 ( 5.723 -16.329 -7.150) 18.722 14.520 ( -5.388 -0.576 1.888) 5.738 14.752 ( -2.492 -4.644 -2.895) 6.013 16.835 ( -2.732 0.494 -9.301) 9.707 17.598 ( -11.341 -24.473 -4.437) 27.336 18.731 ( 13.646 0.196 -2.799) 13.931 19.427 ( -8.007 -1.255 -4.616) 9.327 20.173 ( 9.927 7.284 -1.887) 12.456 21.300 ( -5.966 -4.158 18.334) 19.724 23.736 ( 8.919 3.718 -4.083) 10.490 23.962 ( 4.819 4.526 -0.533) 6.633 ======================= Grid point 408 (220/230) ======================= q-point: (-0.10 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 1.851 12.461 13.091) 18.168 2.807 ( 3.731 8.748 12.660) 15.834 3.137 ( -3.743 8.245 -6.402) 11.089 3.325 ( 1.308 -1.610 -2.288) 3.088 3.648 ( 10.462 10.452 -1.629) 14.878 3.851 ( 8.399 0.701 -6.164) 10.441 4.124 ( 11.392 -12.880 15.747) 23.316 4.653 ( 0.120 -6.144 3.545) 7.094 4.842 ( -6.545 2.205 1.947) 7.176 5.129 ( -9.349 1.855 -5.562) 11.035 5.640 ( -0.293 0.216 3.427) 3.446 5.817 ( -5.750 -2.262 -0.357) 6.189 6.781 ( -5.756 3.790 13.276) 14.959 6.994 ( 5.428 9.563 -15.080) 18.664 7.774 ( 6.292 3.248 5.382) 8.894 8.043 ( -1.623 1.928 -1.968) 3.198 8.698 ( 2.430 1.520 8.407) 8.882 8.844 ( 3.000 3.364 -0.588) 4.546 9.124 ( -6.045 2.977 5.056) 8.424 9.670 ( -11.766 -6.257 -12.057) 17.971 10.424 ( -0.106 6.526 13.783) 15.250 10.786 ( -4.046 -1.640 1.263) 4.545 11.929 ( 6.301 20.921 -3.316) 22.099 12.353 ( -9.637 18.634 -1.973) 21.071 13.290 ( 10.403 -13.794 7.193) 18.715 13.826 ( -1.119 -17.552 -10.166) 20.314 14.461 ( -0.601 -1.567 3.064) 3.493 14.683 ( -3.647 -4.294 -4.458) 7.185 16.807 ( -0.196 -8.907 3.475) 9.563 17.346 ( -11.747 -23.035 -13.623) 29.226 18.954 ( 10.470 -0.082 -4.625) 11.446 19.207 ( -10.999 0.182 -0.538) 11.014 20.506 ( 21.498 4.271 1.602) 21.977 21.144 ( -13.637 -2.050 11.692) 18.080 23.891 ( 7.251 5.932 -1.909) 9.561 24.019 ( 1.216 6.034 -1.270) 6.285 ======================= Grid point 409 (221/230) ======================= q-point: ( 0.00 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 0.340 5.469 16.603) 17.483 3.097 ( 4.646 8.508 -9.568) 13.621 3.171 ( -0.543 0.074 2.070) 2.141 3.258 ( -4.334 -1.022 -2.535) 5.124 3.855 ( -0.085 5.375 11.350) 12.559 4.020 ( 0.949 -4.704 6.740) 8.274 4.209 ( 4.261 4.886 -2.268) 6.869 4.418 ( -2.532 -11.631 -10.811) 16.080 4.931 ( 2.558 6.876 7.246) 10.312 5.045 ( -0.007 0.589 -2.408) 2.479 5.564 ( -6.621 -2.799 6.917) 9.975 5.685 ( 2.023 -2.369 -2.391) 3.927 6.815 ( -3.319 2.929 16.322) 16.912 7.229 ( 4.680 4.990 -21.148) 22.227 7.919 ( 2.512 2.303 5.117) 6.148 8.020 ( -1.780 -2.076 -4.377) 5.161 8.761 ( -1.349 1.980 14.810) 15.002 8.999 ( 6.687 5.306 -6.687) 10.843 9.151 ( 6.189 -4.023 5.579) 9.253 9.332 ( -10.413 -1.586 -9.987) 14.515 10.591 ( 5.280 1.787 9.735) 11.218 10.721 ( -0.170 -0.186 -2.592) 2.604 12.429 ( 2.401 12.625 2.648) 13.121 12.500 ( -2.952 13.095 -3.906) 13.980 13.217 ( 5.095 -10.948 5.716) 13.360 13.395 ( -4.268 -12.390 -11.327) 17.321 14.434 ( 1.156 -1.910 4.498) 5.021 14.568 ( -0.873 -0.926 -8.328) 8.425 16.519 ( -9.589 -6.281 21.732) 24.570 16.987 ( 4.674 -5.474 -23.600) 24.673 19.030 ( -8.807 0.047 2.740) 9.223 19.110 ( 7.683 -0.064 -4.948) 9.138 20.875 ( -15.074 0.605 4.851) 15.846 20.924 ( 18.483 -0.308 0.192) 18.487 24.072 ( -0.266 2.806 -0.108) 2.821 24.086 ( -0.384 1.546 -1.421) 2.135 ======================= Grid point 410 (222/230) ======================= q-point: ( 0.10 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( -3.352 6.401 11.751) 13.794 3.059 ( -2.796 -0.266 -12.490) 12.802 3.175 ( -2.330 0.675 0.141) 2.430 3.277 ( 5.380 5.762 6.139) 9.992 3.781 ( -8.914 4.848 10.178) 14.372 3.938 ( -9.047 5.400 -4.640) 11.512 4.136 ( -12.012 -8.702 -2.229) 15.000 4.283 ( -7.377 -9.774 -7.812) 14.525 5.079 ( 10.035 6.849 4.929) 13.111 5.148 ( 10.054 1.667 -3.133) 10.662 5.505 ( -0.808 -2.838 10.147) 10.568 5.768 ( 5.880 -2.444 0.574) 6.393 6.788 ( -2.895 3.726 13.669) 14.461 7.239 ( 2.211 2.692 -20.780) 21.070 7.847 ( -8.495 2.723 0.881) 8.965 8.041 ( 2.195 -3.433 -0.230) 4.081 8.780 ( 0.207 4.097 7.038) 8.146 8.990 ( -6.784 1.306 -9.898) 12.070 9.245 ( 6.574 3.390 8.047) 10.930 9.390 ( 14.134 -4.398 -2.923) 15.089 10.715 ( 0.612 0.704 -7.011) 7.072 10.784 ( 12.786 0.188 1.983) 12.940 12.357 ( -5.006 20.084 -0.824) 20.715 12.589 ( 7.149 3.463 1.073) 8.016 13.206 ( -7.267 -6.205 -6.157) 11.367 13.336 ( 1.123 -14.211 0.517) 14.265 14.490 ( 3.147 -2.062 3.824) 5.365 14.564 ( 2.394 -1.193 -6.845) 7.349 16.448 ( -3.346 -3.655 24.087) 24.592 17.083 ( 10.593 -6.886 -17.015) 21.193 18.870 ( -9.158 -0.244 2.829) 9.588 19.233 ( 6.484 0.117 -2.472) 6.940 20.577 ( -16.476 2.232 1.785) 16.722 21.258 ( 16.480 -2.086 -4.210) 17.137 23.951 ( -9.549 1.940 -0.299) 9.748 24.086 ( -1.917 1.828 0.063) 2.649 ======================= Grid point 411 (223/230) ======================= q-point: ( 0.20 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -4.396 6.803 5.739) 9.927 2.960 ( -3.978 -4.622 -11.271) 12.814 3.140 ( -2.414 0.468 1.268) 2.767 3.358 ( -0.398 11.713 10.911) 16.013 3.624 ( -9.508 -1.209 1.682) 9.731 3.700 ( -11.112 6.940 -11.922) 17.714 3.826 ( -16.317 -6.085 -4.493) 17.985 4.100 ( -10.486 -15.071 -1.302) 18.406 5.288 ( 10.445 3.376 0.733) 11.001 5.359 ( 11.203 5.635 1.238) 12.601 5.580 ( 5.483 -2.158 10.006) 11.612 5.883 ( 5.332 -2.039 1.785) 5.981 6.784 ( -0.067 4.832 9.141) 10.340 7.238 ( 3.036 -1.012 -18.139) 18.419 7.675 ( -8.976 1.234 0.289) 9.066 8.004 ( -7.069 -2.942 -0.678) 7.687 8.763 ( -3.822 4.150 6.757) 8.803 8.913 ( 3.087 2.085 -8.813) 9.568 9.431 ( 9.151 4.418 13.890) 17.210 9.674 ( 15.425 -3.794 -5.308) 16.748 10.694 ( -0.828 -0.060 -6.940) 6.989 11.059 ( 15.506 0.722 -9.470) 18.183 12.279 ( -2.949 24.121 0.129) 24.301 12.706 ( 3.137 -13.744 0.682) 14.114 13.050 ( -4.867 9.191 -7.433) 12.783 13.348 ( -0.773 -15.223 3.561) 15.653 14.560 ( 3.265 -0.303 2.055) 3.870 14.614 ( 3.661 -3.231 -3.694) 6.122 16.511 ( 4.152 0.211 22.599) 22.978 17.307 ( 15.801 -8.114 -10.020) 20.394 18.681 ( -11.210 -0.416 1.271) 11.290 19.349 ( 5.452 -0.071 1.654) 5.697 20.273 ( -14.983 3.671 1.241) 15.476 21.515 ( 11.579 -3.231 -10.317) 15.841 23.726 ( -13.412 1.030 0.898) 13.481 24.017 ( -5.021 1.317 -0.106) 5.192 ======================= Grid point 412 (224/230) ======================= q-point: ( 0.30 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -5.237 4.966 1.987) 7.486 2.872 ( -2.113 -3.902 -10.466) 11.368 3.059 ( -6.640 1.047 -0.381) 6.733 3.286 ( -18.618 -3.390 -14.519) 23.852 3.315 ( -5.126 9.809 7.307) 13.262 3.550 ( -9.867 -9.543 2.306) 13.919 3.650 ( 0.319 8.763 -0.953) 8.821 3.909 ( -8.179 -14.740 -1.134) 16.895 5.472 ( 8.351 1.628 1.695) 8.676 5.558 ( 8.817 7.568 2.265) 11.838 5.732 ( 7.683 -2.110 6.344) 10.185 5.971 ( 3.254 -1.233 2.310) 4.177 6.834 ( 3.412 6.215 5.570) 9.017 7.276 ( 4.664 -4.623 -12.657) 14.259 7.512 ( -7.819 1.436 -2.916) 8.468 7.800 ( -12.531 -3.314 -0.005) 12.962 8.688 ( -5.602 3.290 12.011) 13.656 9.028 ( 9.324 3.850 -12.854) 16.340 9.637 ( 8.121 2.911 15.854) 18.050 9.924 ( 11.635 -2.562 -6.335) 13.493 10.669 ( -0.065 -0.037 -0.627) 0.632 11.279 ( 9.807 2.262 -17.743) 20.399 12.247 ( -0.582 21.278 1.251) 21.323 12.655 ( -6.856 -18.872 -3.466) 20.375 13.049 ( 4.780 14.131 -2.202) 15.080 13.325 ( -2.510 -11.882 4.045) 12.801 14.621 ( 2.594 0.027 1.859) 3.192 14.671 ( 2.862 -3.923 -2.451) 5.439 16.716 ( 12.326 2.322 17.442) 21.483 17.607 ( 15.831 -5.960 -4.543) 17.515 18.464 ( -10.235 -0.563 -0.872) 10.288 19.397 ( -3.518 0.137 1.493) 3.824 20.071 ( -4.504 3.049 8.169) 9.813 21.620 ( 1.968 -3.753 -18.533) 19.012 23.489 ( -10.409 -0.211 3.992) 11.150 23.902 ( -6.631 0.722 -1.619) 6.864 ======================= Grid point 413 (225/230) ======================= q-point: ( 0.40 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -4.360 1.549 0.341) 4.639 2.814 ( -7.129 -4.039 -5.870) 10.079 2.878 ( -6.232 2.531 -11.043) 12.930 2.959 ( -10.235 -3.925 -4.758) 11.950 3.274 ( -0.853 3.369 4.927) 6.029 3.404 ( -5.334 -5.724 0.347) 7.832 3.671 ( 1.151 2.541 2.397) 3.678 3.803 ( -2.560 -8.349 -3.018) 9.239 5.609 ( 5.050 1.798 4.412) 6.942 5.695 ( 4.683 6.525 0.973) 8.090 5.884 ( 6.683 -1.727 3.206) 7.611 6.009 ( -0.154 0.018 2.941) 2.945 6.941 ( 6.638 6.877 3.566) 10.202 7.307 ( -4.422 -3.997 0.793) 6.013 7.394 ( 0.796 2.727 -11.573) 11.916 7.575 ( -9.450 -7.105 -1.758) 11.953 8.631 ( -3.734 2.430 17.892) 18.438 9.133 ( 4.646 4.822 -20.268) 21.345 9.799 ( 4.355 0.594 16.274) 16.857 10.083 ( 7.072 -0.723 -8.193) 10.847 10.713 ( 3.398 0.980 10.118) 10.718 11.328 ( -0.004 3.037 -19.640) 19.874 12.258 ( 1.239 13.892 1.814) 14.065 12.503 ( -6.936 -8.345 -4.075) 11.591 13.151 ( 4.988 5.105 0.575) 7.161 13.275 ( -3.432 -6.248 3.735) 8.047 14.664 ( 1.260 -0.543 2.214) 2.605 14.710 ( 1.879 -3.475 -2.575) 4.716 17.053 ( 18.932 2.733 9.859) 21.520 17.756 ( -3.200 -1.338 -2.575) 4.320 18.413 ( 8.888 -0.869 -1.329) 9.029 19.174 ( -18.110 2.088 -2.923) 18.463 20.187 ( 11.334 -0.907 20.674) 23.594 21.474 ( -11.578 -4.052 -25.793) 28.561 23.398 ( -0.049 -0.981 6.760) 6.831 23.764 ( -6.902 0.118 -4.168) 8.064 ======================= Grid point 414 (226/230) ======================= q-point: (-0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 0.502 -1.601 3.402) 3.793 2.594 ( -7.212 -1.722 -5.761) 9.389 2.782 ( -7.642 -0.697 3.647) 8.496 2.890 ( 3.263 -0.739 -6.254) 7.093 3.290 ( 0.958 -2.363 2.533) 3.594 3.380 ( 4.351 -2.225 -5.514) 7.368 3.705 ( 1.610 -1.282 1.799) 2.733 3.778 ( 0.579 -3.492 -4.537) 5.754 5.673 ( -0.274 3.634 5.693) 6.759 5.725 ( -1.783 2.786 0.495) 3.345 5.977 ( -1.461 1.178 3.209) 3.717 5.998 ( 2.314 -0.520 1.424) 2.766 7.091 ( 6.265 6.307 3.505) 9.556 7.170 ( -5.321 3.481 -3.723) 7.368 7.331 ( -8.401 -4.077 6.769) 11.533 7.542 ( 7.160 -7.638 -13.781) 17.306 8.633 ( -1.288 1.751 22.255) 22.360 9.109 ( -0.942 4.472 -23.163) 23.609 9.869 ( -1.096 -0.157 15.559) 15.599 10.160 ( 3.208 0.642 -11.374) 11.835 10.817 ( 2.955 2.086 18.437) 18.788 11.199 ( -8.293 1.967 -17.288) 19.275 12.302 ( 2.485 5.674 3.444) 7.088 12.393 ( -2.899 1.628 -4.682) 5.743 13.166 ( -4.993 -1.345 7.738) 9.307 13.278 ( 4.071 -1.458 -2.320) 4.907 14.676 ( -0.572 -1.265 2.093) 2.511 14.732 ( 1.185 -2.518 -3.017) 4.104 17.455 ( 20.270 2.404 2.363) 20.548 17.548 ( -13.358 0.716 -6.383) 14.822 18.723 ( 18.979 1.244 1.814) 19.107 18.762 ( -22.032 1.240 -2.010) 22.158 20.529 ( 16.950 -3.100 27.199) 32.198 21.097 ( -19.684 -3.982 -27.374) 33.951 23.497 ( 7.785 -0.775 5.881) 9.788 23.632 ( -5.037 -0.374 -6.987) 8.622 ======================= Grid point 415 (227/230) ======================= q-point: (-0.40 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 1.239 4.518 3.436) 5.810 2.632 ( 4.534 -4.914 7.474) 10.028 2.678 ( -0.454 -1.194 6.906) 7.023 2.962 ( 4.856 -3.031 -0.483) 5.744 3.352 ( 6.446 2.880 -4.112) 8.171 3.506 ( 8.982 -1.385 -7.708) 11.916 3.723 ( 0.218 -0.599 -2.659) 2.734 3.817 ( 4.942 -7.957 -3.546) 10.015 5.578 ( -10.219 3.766 4.693) 11.859 5.672 ( -4.364 1.191 3.988) 6.031 5.922 ( -3.758 3.152 1.021) 5.010 6.027 ( -0.770 -1.276 1.141) 1.877 7.022 ( -5.181 6.598 -2.507) 8.756 7.168 ( -7.075 -6.841 6.246) 11.656 7.305 ( 8.723 2.859 0.799) 9.215 7.679 ( 9.479 -4.004 -9.405) 13.941 8.667 ( -1.468 1.228 23.389) 23.467 9.021 ( -2.263 3.812 -19.336) 19.838 9.830 ( -6.567 0.751 13.496) 15.027 10.140 ( -2.220 0.183 -13.962) 14.139 10.877 ( -3.024 4.070 19.231) 19.888 10.966 ( -10.600 -0.585 -9.528) 14.265 12.308 ( -1.291 9.270 -2.201) 9.614 12.437 ( 6.964 -1.485 1.277) 7.234 13.070 ( -6.364 3.635 7.574) 10.540 13.350 ( 3.731 -7.279 -2.554) 8.569 14.651 ( -2.507 -1.346 1.891) 3.417 14.740 ( 0.373 -1.941 -3.799) 4.282 17.279 ( -11.284 2.340 -11.471) 16.260 17.761 ( 6.069 0.337 -3.144) 6.843 18.379 ( -11.489 -1.115 1.797) 11.682 19.109 ( 18.670 2.096 3.355) 19.084 20.647 ( -19.771 -2.572 -23.533) 30.843 20.912 ( 14.845 -3.252 28.098) 31.944 23.560 ( 0.179 -0.339 -8.576) 8.584 23.686 ( 9.956 -0.157 3.279) 10.483 ======================= Grid point 416 (228/230) ======================= q-point: (-0.30 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 1.433 5.336 6.836) 8.789 2.616 ( 4.102 3.303 10.978) 12.176 2.916 ( 14.203 -3.748 12.766) 19.461 3.073 ( 6.657 -7.189 4.367) 10.727 3.510 ( 10.736 6.597 -9.508) 15.786 3.641 ( 6.771 8.384 -6.630) 12.653 3.707 ( -0.334 -1.882 -6.597) 6.868 3.965 ( 11.464 -16.885 -4.301) 20.858 5.359 ( -13.351 2.594 7.876) 15.717 5.558 ( -8.581 1.749 4.015) 9.634 5.841 ( -4.611 4.002 -1.270) 6.236 5.976 ( -4.652 -2.435 1.507) 5.462 6.940 ( -3.586 4.759 1.748) 6.210 7.064 ( -3.321 -4.344 -0.703) 5.513 7.482 ( 8.981 1.353 1.605) 9.223 7.853 ( 10.277 -1.342 -5.178) 11.586 8.668 ( -4.085 0.499 20.737) 21.142 8.945 ( -1.575 3.570 -12.439) 13.037 9.681 ( -12.125 2.181 11.067) 16.560 10.015 ( -6.996 -1.541 -14.458) 16.136 10.703 ( -10.235 2.591 -1.793) 10.709 10.880 ( -5.172 0.124 17.934) 18.665 12.289 ( 0.085 16.421 -3.033) 16.699 12.600 ( 8.754 -11.359 1.574) 14.427 12.968 ( -5.656 11.389 5.994) 14.058 13.407 ( 3.053 -12.853 -3.640) 13.703 14.591 ( -4.171 -0.891 2.248) 4.821 14.726 ( -0.751 -1.807 -5.121) 5.483 17.076 ( -6.678 4.906 -16.249) 18.240 17.552 ( -20.673 -8.276 0.955) 22.288 18.465 ( 13.865 -0.076 -1.354) 13.931 19.406 ( 9.762 0.853 0.930) 9.843 20.291 ( -10.348 0.683 -13.437) 16.974 21.180 ( 5.869 -2.502 23.559) 24.408 23.614 ( 7.526 0.256 -7.659) 10.741 23.874 ( 8.857 0.662 1.112) 8.951 ======================= Grid point 417 (229/230) ======================= q-point: (-0.20 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 1.089 3.142 13.828) 14.223 2.796 ( 9.209 7.615 5.159) 13.016 3.135 ( 5.814 -1.150 4.537) 7.464 3.292 ( 11.266 -4.783 15.340) 19.625 3.604 ( 1.681 1.952 -8.064) 8.465 3.733 ( 5.883 -6.177 -4.379) 9.589 3.811 ( 13.049 18.638 -6.988) 23.801 4.198 ( 13.060 -19.211 -6.683) 24.172 5.131 ( -12.213 2.988 10.114) 16.136 5.372 ( -11.449 1.415 3.296) 11.997 5.747 ( -4.603 4.128 -2.175) 6.554 5.870 ( -6.614 -3.811 1.628) 7.805 6.879 ( -4.284 0.905 10.934) 11.778 7.062 ( 4.582 2.319 -12.425) 13.444 7.652 ( 8.263 0.596 2.743) 8.726 8.017 ( 6.474 -0.214 -2.274) 6.865 8.639 ( -2.096 -0.415 17.056) 17.190 8.903 ( -0.362 3.296 -6.568) 7.357 9.431 ( -15.844 2.611 9.840) 18.832 9.816 ( -9.833 -2.557 -14.614) 17.799 10.562 ( -5.092 3.018 5.996) 8.425 10.810 ( -5.507 -1.152 12.816) 13.997 12.299 ( 1.706 20.469 -1.932) 20.631 12.711 ( -0.137 -16.181 -0.031) 16.181 12.933 ( 3.062 15.218 4.426) 16.142 13.450 ( 2.520 -16.413 -5.890) 17.619 14.509 ( -4.789 -0.363 3.022) 5.675 14.686 ( -1.978 -1.781 -6.613) 7.128 16.920 ( -7.735 8.220 -10.447) 15.379 17.181 ( -15.014 -16.807 -3.375) 22.788 18.733 ( 13.654 0.062 -4.015) 14.233 19.409 ( -7.757 -0.447 -4.071) 8.772 20.281 ( 10.162 3.015 0.062) 10.600 21.239 ( -4.298 -1.702 16.190) 16.837 23.787 ( 11.098 1.323 -4.882) 12.196 24.020 ( 6.046 1.335 -0.243) 6.196 ======================= Grid point 418 (230/230) ======================= q-point: (-0.10 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 2.426 4.842 16.125) 17.010 2.968 ( 7.976 6.202 0.799) 10.136 3.203 ( 0.737 -1.158 -2.828) 3.143 3.354 ( -4.688 4.230 1.785) 6.562 3.734 ( 9.245 -0.701 6.635) 11.401 3.883 ( 8.955 -8.433 8.539) 14.974 4.049 ( 12.429 16.388 -7.900) 22.033 4.388 ( 7.714 -16.362 -8.576) 20.020 4.961 ( -7.236 4.610 9.265) 12.628 5.160 ( -10.306 0.900 1.513) 10.455 5.662 ( -4.049 2.447 0.440) 4.751 5.739 ( -6.578 -4.726 -0.393) 8.110 6.838 ( -3.322 1.564 15.280) 15.715 7.153 ( 7.752 4.978 -18.767) 20.907 7.807 ( 6.880 0.431 4.264) 8.106 8.060 ( -0.685 0.165 -2.254) 2.361 8.703 ( 3.416 -0.214 16.429) 16.781 8.913 ( 3.363 2.326 -5.383) 6.760 9.174 ( -11.104 1.578 8.395) 14.009 9.580 ( -11.288 -2.462 -13.562) 17.816 10.527 ( -0.725 3.221 10.494) 11.001 10.747 ( -2.999 -1.576 4.899) 5.956 12.348 ( 3.684 19.417 -0.096) 19.763 12.622 ( -6.580 1.781 -1.861) 7.066 13.072 ( 8.034 -2.441 4.473) 9.514 13.462 ( 0.042 -16.298 -8.955) 18.596 14.440 ( -2.827 -0.551 3.962) 4.898 14.624 ( -2.485 -1.555 -7.884) 8.411 16.704 ( -13.576 -1.754 13.020) 18.892 17.008 ( -1.159 -9.682 -22.840) 24.834 18.952 ( 10.350 -0.073 -5.213) 11.589 19.210 ( -10.494 0.113 -0.417) 10.502 20.569 ( 17.592 1.723 2.593) 17.865 21.115 ( -11.272 -0.754 9.614) 14.834 23.973 ( 8.385 2.151 -2.421) 8.988 24.096 ( 1.901 1.804 -0.805) 2.742 =================== 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 3/29160 10.0 2187.658 3442.546 2109.183 0.000 -15.834 0.000 3/29160 20.0 858.304 805.024 812.002 0.000 41.706 0.000 3/29160 30.0 331.314 279.290 317.554 0.000 23.124 0.000 3/29160 40.0 165.576 135.032 162.895 0.000 13.590 0.000 3/29160 50.0 100.668 80.743 101.266 0.000 8.999 0.000 3/29160 60.0 69.193 55.007 70.773 0.000 6.400 0.000 3/29160 70.0 51.489 40.722 53.310 0.000 4.796 0.000 3/29160 80.0 40.469 31.901 42.281 0.000 3.747 0.000 3/29160 90.0 33.097 26.027 34.816 0.000 3.029 0.000 3/29160 100.0 27.892 21.892 29.494 0.000 2.518 0.000 3/29160 110.0 24.060 18.852 25.542 0.000 2.143 0.000 3/29160 120.0 21.141 16.539 22.509 0.000 1.860 0.000 3/29160 130.0 18.856 14.728 20.118 0.000 1.640 0.000 3/29160 140.0 17.025 13.276 18.190 0.000 1.466 0.000 3/29160 150.0 15.529 12.089 16.604 0.000 1.326 0.000 3/29160 160.0 14.286 11.100 15.280 0.000 1.211 0.000 3/29160 170.0 13.238 10.266 14.157 0.000 1.116 0.000 3/29160 180.0 12.343 9.552 13.195 0.000 1.035 0.000 3/29160 190.0 11.569 8.934 12.360 0.000 0.967 0.000 3/29160 200.0 10.895 8.395 11.629 0.000 0.908 0.000 3/29160 210.0 10.300 7.919 10.984 0.000 0.857 0.000 3/29160 220.0 9.773 7.497 10.410 0.000 0.812 0.000 3/29160 230.0 9.301 7.120 9.896 0.000 0.772 0.000 3/29160 240.0 8.877 6.780 9.433 0.000 0.736 0.000 3/29160 250.0 8.493 6.473 9.013 0.000 0.705 0.000 3/29160 260.0 8.143 6.194 8.632 0.000 0.676 0.000 3/29160 270.0 7.823 5.938 8.282 0.000 0.650 0.000 3/29160 280.0 7.529 5.704 7.962 0.000 0.626 0.000 3/29160 290.0 7.258 5.488 7.666 0.000 0.604 0.000 3/29160 300.0 7.007 5.289 7.392 0.000 0.584 0.000 3/29160 310.0 6.774 5.104 7.139 0.000 0.565 0.000 3/29160 320.0 6.557 4.932 6.902 0.000 0.548 0.000 3/29160 330.0 6.354 4.772 6.682 0.000 0.532 0.000 3/29160 340.0 6.164 4.622 6.476 0.000 0.517 0.000 3/29160 350.0 5.985 4.482 6.282 0.000 0.502 0.000 3/29160 360.0 5.817 4.350 6.100 0.000 0.489 0.000 3/29160 370.0 5.659 4.226 5.929 0.000 0.476 0.000 3/29160 380.0 5.509 4.109 5.767 0.000 0.464 0.000 3/29160 390.0 5.368 3.999 5.614 0.000 0.453 0.000 3/29160 400.0 5.233 3.894 5.470 0.000 0.442 0.000 3/29160 410.0 5.106 3.795 5.333 0.000 0.432 0.000 3/29160 420.0 4.984 3.701 5.202 0.000 0.422 0.000 3/29160 430.0 4.869 3.612 5.078 0.000 0.413 0.000 3/29160 440.0 4.758 3.527 4.960 0.000 0.404 0.000 3/29160 450.0 4.653 3.446 4.848 0.000 0.396 0.000 3/29160 460.0 4.553 3.368 4.740 0.000 0.388 0.000 3/29160 470.0 4.456 3.294 4.637 0.000 0.380 0.000 3/29160 480.0 4.364 3.224 4.539 0.000 0.372 0.000 3/29160 490.0 4.276 3.156 4.445 0.000 0.365 0.000 3/29160 500.0 4.191 3.091 4.355 0.000 0.358 0.000 3/29160 510.0 4.110 3.029 4.268 0.000 0.352 0.000 3/29160 520.0 4.031 2.969 4.185 0.000 0.345 0.000 3/29160 530.0 3.956 2.912 4.105 0.000 0.339 0.000 3/29160 540.0 3.883 2.857 4.028 0.000 0.333 0.000 3/29160 550.0 3.813 2.804 3.954 0.000 0.328 0.000 3/29160 560.0 3.746 2.753 3.883 0.000 0.322 0.000 3/29160 570.0 3.681 2.704 3.814 0.000 0.317 0.000 3/29160 580.0 3.618 2.656 3.747 0.000 0.312 0.000 3/29160 590.0 3.557 2.610 3.683 0.000 0.307 0.000 3/29160 600.0 3.498 2.566 3.621 0.000 0.302 0.000 3/29160 610.0 3.442 2.523 3.562 0.000 0.297 0.000 3/29160 620.0 3.387 2.482 3.504 0.000 0.292 0.000 3/29160 630.0 3.333 2.442 3.448 0.000 0.288 0.000 3/29160 640.0 3.282 2.403 3.394 0.000 0.284 0.000 3/29160 650.0 3.232 2.366 3.341 0.000 0.280 0.000 3/29160 660.0 3.183 2.330 3.290 0.000 0.276 0.000 3/29160 670.0 3.136 2.294 3.241 0.000 0.272 0.000 3/29160 680.0 3.091 2.260 3.193 0.000 0.268 0.000 3/29160 690.0 3.046 2.227 3.146 0.000 0.264 0.000 3/29160 700.0 3.003 2.195 3.101 0.000 0.260 0.000 3/29160 710.0 2.961 2.164 3.057 0.000 0.257 0.000 3/29160 720.0 2.920 2.133 3.015 0.000 0.254 0.000 3/29160 730.0 2.881 2.104 2.973 0.000 0.250 0.000 3/29160 740.0 2.842 2.075 2.933 0.000 0.247 0.000 3/29160 750.0 2.805 2.047 2.894 0.000 0.244 0.000 3/29160 760.0 2.768 2.020 2.855 0.000 0.241 0.000 3/29160 770.0 2.732 1.993 2.818 0.000 0.238 0.000 3/29160 780.0 2.698 1.968 2.782 0.000 0.235 0.000 3/29160 790.0 2.664 1.942 2.747 0.000 0.232 0.000 3/29160 800.0 2.631 1.918 2.712 0.000 0.229 0.000 3/29160 810.0 2.599 1.894 2.679 0.000 0.226 0.000 3/29160 820.0 2.567 1.871 2.646 0.000 0.224 0.000 3/29160 830.0 2.536 1.848 2.614 0.000 0.221 0.000 3/29160 840.0 2.507 1.826 2.583 0.000 0.219 0.000 3/29160 850.0 2.477 1.804 2.552 0.000 0.216 0.000 3/29160 860.0 2.449 1.783 2.522 0.000 0.214 0.000 3/29160 870.0 2.421 1.763 2.493 0.000 0.211 0.000 3/29160 880.0 2.393 1.742 2.465 0.000 0.209 0.000 3/29160 890.0 2.367 1.723 2.437 0.000 0.207 0.000 3/29160 900.0 2.341 1.703 2.410 0.000 0.204 0.000 3/29160 910.0 2.315 1.685 2.384 0.000 0.202 0.000 3/29160 920.0 2.290 1.666 2.358 0.000 0.200 0.000 3/29160 930.0 2.266 1.648 2.332 0.000 0.198 0.000 3/29160 940.0 2.242 1.631 2.307 0.000 0.196 0.000 3/29160 950.0 2.218 1.613 2.283 0.000 0.194 0.000 3/29160 960.0 2.195 1.596 2.259 0.000 0.192 0.000 3/29160 970.0 2.173 1.580 2.236 0.000 0.190 0.000 3/29160 980.0 2.151 1.564 2.213 0.000 0.188 0.000 3/29160 990.0 2.129 1.548 2.191 0.000 0.186 0.000 3/29160 1000.0 2.108 1.532 2.169 0.000 0.185 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m1099.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:28:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|