----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:07:48]------------------------- 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: [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.941568871352815 -2.854497830000000 0.000000000000000 b 5.941568871352815 2.854497830000000 0.000000000000000 c -1.801793120271512 0.000000000000000 9.571935341510654 Atomic positions (fractional): *1 Cl 0.72056318146259 0.81446418245693 0.84706722041946 35.453 2 Cl 0.18553581754307 0.27943681853741 0.65293277958054 35.453 3 Cl 0.27943681853741 0.18553581754307 0.15293277958054 35.453 4 Cl 0.81446418245693 0.72056318146259 0.34706722041946 35.453 *5 Cl 0.30987748636816 0.80225939148345 0.42850781190908 35.453 6 Cl 0.19774060851655 0.69012251363184 0.07149218809091 35.453 7 Cl 0.69012251363184 0.19774060851655 0.57149218809091 35.453 8 Cl 0.80225939148345 0.30987748636816 0.92850781190909 35.453 *9 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 10 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 *11 Tl 0.23600543302663 0.76399456697337 0.75000000000000 204.383 12 Tl 0.76399456697337 0.23600543302663 0.25000000000000 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.883137742705630 0.000000000000000 0.000000000000000 b 0.000000000000000 5.708995659999999 0.000000000000000 c -1.801793120271512 0.000000000000000 9.571935341510654 Atomic positions (fractional): *1 Cl 0.26751368195976 0.54695050049717 0.84706722041946 35.453 > 1 2 Cl 0.23248631804024 0.04695050049717 0.65293277958054 35.453 > 2 3 Cl 0.23248631804024 0.95304949950283 0.15293277958054 35.453 > 3 4 Cl 0.26751368195976 0.45304949950283 0.34706722041946 35.453 > 4 *5 Cl 0.05606843892581 0.74619095255765 0.42850781190908 35.453 > 5 6 Cl 0.44393156107419 0.24619095255765 0.07149218809091 35.453 > 6 7 Cl 0.44393156107419 0.75380904744235 0.57149218809091 35.453 > 7 8 Cl 0.05606843892581 0.25380904744235 0.92850781190909 35.453 > 8 9 Cl 0.76751368195976 0.04695050049717 0.84706722041946 35.453 > 1 10 Cl 0.73248631804024 0.54695050049717 0.65293277958054 35.453 > 2 11 Cl 0.73248631804024 0.45304949950283 0.15293277958054 35.453 > 3 12 Cl 0.76751368195976 0.95304949950283 0.34706722041946 35.453 > 4 13 Cl 0.55606843892581 0.24619095255765 0.42850781190908 35.453 > 5 14 Cl 0.94393156107419 0.74619095255765 0.07149218809091 35.453 > 6 15 Cl 0.94393156107419 0.25380904744235 0.57149218809091 35.453 > 7 16 Cl 0.55606843892581 0.75380904744235 0.92850781190909 35.453 > 8 *17 Au 0.25000000000000 0.25000000000000 0.00000000000000 196.967 > 9 18 Au 0.25000000000000 0.75000000000000 0.50000000000000 196.967 > 10 19 Au 0.75000000000000 0.75000000000000 0.00000000000000 196.967 > 9 20 Au 0.75000000000000 0.25000000000000 0.50000000000000 196.967 > 10 *21 Tl 0.00000000000000 0.76399456697337 0.75000000000000 204.383 > 11 22 Tl 0.00000000000000 0.23600543302663 0.25000000000000 204.383 > 12 23 Tl 0.50000000000000 0.26399456697337 0.75000000000000 204.383 > 11 24 Tl 0.50000000000000 0.73600543302663 0.25000000000000 204.383 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.883137742705630 0.000000000000000 0.000000000000000 b 0.000000000000000 17.126986979999998 0.000000000000000 c -3.603586240543024 0.000000000000000 19.143870683021309 Atomic positions (fractional): *1 Cl 0.26751368195976 0.18231683349906 0.42353361020973 35.453 > 1 2 Cl 0.26751368195976 0.51565016683239 0.42353361020973 35.453 > 1 3 Cl 0.26751368195976 0.84898350016572 0.42353361020973 35.453 > 1 4 Cl 0.26751368195976 0.18231683349906 0.92353361020973 35.453 > 1 5 Cl 0.26751368195976 0.51565016683239 0.92353361020973 35.453 > 1 6 Cl 0.26751368195976 0.84898350016572 0.92353361020973 35.453 > 1 7 Cl 0.23248631804024 0.01565016683239 0.32646638979027 35.453 > 2 8 Cl 0.23248631804024 0.34898350016572 0.32646638979027 35.453 > 2 9 Cl 0.23248631804024 0.68231683349906 0.32646638979027 35.453 > 2 10 Cl 0.23248631804024 0.01565016683239 0.82646638979027 35.453 > 2 11 Cl 0.23248631804024 0.34898350016572 0.82646638979027 35.453 > 2 12 Cl 0.23248631804024 0.68231683349906 0.82646638979027 35.453 > 2 13 Cl 0.23248631804024 0.31768316650094 0.07646638979027 35.453 > 3 14 Cl 0.23248631804024 0.65101649983428 0.07646638979027 35.453 > 3 15 Cl 0.23248631804024 0.98434983316761 0.07646638979027 35.453 > 3 16 Cl 0.23248631804024 0.31768316650094 0.57646638979027 35.453 > 3 17 Cl 0.23248631804024 0.65101649983428 0.57646638979027 35.453 > 3 18 Cl 0.23248631804024 0.98434983316761 0.57646638979027 35.453 > 3 19 Cl 0.26751368195976 0.15101649983428 0.17353361020973 35.453 > 4 20 Cl 0.26751368195976 0.48434983316761 0.17353361020973 35.453 > 4 21 Cl 0.26751368195976 0.81768316650094 0.17353361020973 35.453 > 4 22 Cl 0.26751368195976 0.15101649983428 0.67353361020973 35.453 > 4 23 Cl 0.26751368195976 0.48434983316761 0.67353361020973 35.453 > 4 24 Cl 0.26751368195976 0.81768316650094 0.67353361020973 35.453 > 4 *25 Cl 0.05606843892581 0.24873031751922 0.21425390595454 35.453 > 5 26 Cl 0.05606843892581 0.58206365085255 0.21425390595454 35.453 > 5 27 Cl 0.05606843892581 0.91539698418588 0.21425390595454 35.453 > 5 28 Cl 0.05606843892581 0.24873031751922 0.71425390595454 35.453 > 5 29 Cl 0.05606843892581 0.58206365085255 0.71425390595454 35.453 > 5 30 Cl 0.05606843892581 0.91539698418588 0.71425390595454 35.453 > 5 31 Cl 0.44393156107419 0.08206365085255 0.03574609404546 35.453 > 6 32 Cl 0.44393156107419 0.41539698418588 0.03574609404546 35.453 > 6 33 Cl 0.44393156107419 0.74873031751922 0.03574609404546 35.453 > 6 34 Cl 0.44393156107419 0.08206365085255 0.53574609404546 35.453 > 6 35 Cl 0.44393156107419 0.41539698418588 0.53574609404546 35.453 > 6 36 Cl 0.44393156107419 0.74873031751922 0.53574609404546 35.453 > 6 37 Cl 0.44393156107419 0.25126968248078 0.28574609404546 35.453 > 7 38 Cl 0.44393156107419 0.58460301581412 0.28574609404546 35.453 > 7 39 Cl 0.44393156107419 0.91793634914745 0.28574609404546 35.453 > 7 40 Cl 0.44393156107419 0.25126968248078 0.78574609404546 35.453 > 7 41 Cl 0.44393156107419 0.58460301581412 0.78574609404546 35.453 > 7 42 Cl 0.44393156107419 0.91793634914745 0.78574609404546 35.453 > 7 43 Cl 0.05606843892581 0.08460301581412 0.46425390595454 35.453 > 8 44 Cl 0.05606843892581 0.41793634914745 0.46425390595454 35.453 > 8 45 Cl 0.05606843892581 0.75126968248078 0.46425390595454 35.453 > 8 46 Cl 0.05606843892581 0.08460301581412 0.96425390595454 35.453 > 8 47 Cl 0.05606843892581 0.41793634914745 0.96425390595454 35.453 > 8 48 Cl 0.05606843892581 0.75126968248078 0.96425390595454 35.453 > 8 49 Cl 0.76751368195976 0.01565016683239 0.42353361020973 35.453 > 1 50 Cl 0.76751368195976 0.34898350016572 0.42353361020973 35.453 > 1 51 Cl 0.76751368195976 0.68231683349906 0.42353361020973 35.453 > 1 52 Cl 0.76751368195976 0.01565016683239 0.92353361020973 35.453 > 1 53 Cl 0.76751368195976 0.34898350016572 0.92353361020973 35.453 > 1 54 Cl 0.76751368195976 0.68231683349906 0.92353361020973 35.453 > 1 55 Cl 0.73248631804024 0.18231683349906 0.32646638979027 35.453 > 2 56 Cl 0.73248631804024 0.51565016683239 0.32646638979027 35.453 > 2 57 Cl 0.73248631804024 0.84898350016572 0.32646638979027 35.453 > 2 58 Cl 0.73248631804024 0.18231683349906 0.82646638979027 35.453 > 2 59 Cl 0.73248631804024 0.51565016683239 0.82646638979027 35.453 > 2 60 Cl 0.73248631804024 0.84898350016572 0.82646638979027 35.453 > 2 61 Cl 0.73248631804024 0.15101649983428 0.07646638979027 35.453 > 3 62 Cl 0.73248631804024 0.48434983316761 0.07646638979027 35.453 > 3 63 Cl 0.73248631804024 0.81768316650094 0.07646638979027 35.453 > 3 64 Cl 0.73248631804024 0.15101649983428 0.57646638979027 35.453 > 3 65 Cl 0.73248631804024 0.48434983316761 0.57646638979027 35.453 > 3 66 Cl 0.73248631804024 0.81768316650094 0.57646638979027 35.453 > 3 67 Cl 0.76751368195976 0.31768316650094 0.17353361020973 35.453 > 4 68 Cl 0.76751368195976 0.65101649983428 0.17353361020973 35.453 > 4 69 Cl 0.76751368195976 0.98434983316761 0.17353361020973 35.453 > 4 70 Cl 0.76751368195976 0.31768316650094 0.67353361020973 35.453 > 4 71 Cl 0.76751368195976 0.65101649983428 0.67353361020973 35.453 > 4 72 Cl 0.76751368195976 0.98434983316761 0.67353361020973 35.453 > 4 73 Cl 0.55606843892581 0.08206365085255 0.21425390595454 35.453 > 5 74 Cl 0.55606843892581 0.41539698418588 0.21425390595454 35.453 > 5 75 Cl 0.55606843892581 0.74873031751922 0.21425390595454 35.453 > 5 76 Cl 0.55606843892581 0.08206365085255 0.71425390595454 35.453 > 5 77 Cl 0.55606843892581 0.41539698418588 0.71425390595454 35.453 > 5 78 Cl 0.55606843892581 0.74873031751922 0.71425390595454 35.453 > 5 79 Cl 0.94393156107419 0.24873031751922 0.03574609404546 35.453 > 6 80 Cl 0.94393156107419 0.58206365085255 0.03574609404546 35.453 > 6 81 Cl 0.94393156107419 0.91539698418588 0.03574609404546 35.453 > 6 82 Cl 0.94393156107419 0.24873031751922 0.53574609404546 35.453 > 6 83 Cl 0.94393156107419 0.58206365085255 0.53574609404546 35.453 > 6 84 Cl 0.94393156107419 0.91539698418588 0.53574609404546 35.453 > 6 85 Cl 0.94393156107419 0.08460301581412 0.28574609404546 35.453 > 7 86 Cl 0.94393156107419 0.41793634914745 0.28574609404546 35.453 > 7 87 Cl 0.94393156107419 0.75126968248078 0.28574609404546 35.453 > 7 88 Cl 0.94393156107419 0.08460301581412 0.78574609404546 35.453 > 7 89 Cl 0.94393156107419 0.41793634914745 0.78574609404546 35.453 > 7 90 Cl 0.94393156107419 0.75126968248078 0.78574609404546 35.453 > 7 91 Cl 0.55606843892581 0.25126968248078 0.46425390595454 35.453 > 8 92 Cl 0.55606843892581 0.58460301581412 0.46425390595454 35.453 > 8 93 Cl 0.55606843892581 0.91793634914745 0.46425390595454 35.453 > 8 94 Cl 0.55606843892581 0.25126968248078 0.96425390595454 35.453 > 8 95 Cl 0.55606843892581 0.58460301581412 0.96425390595454 35.453 > 8 96 Cl 0.55606843892581 0.91793634914745 0.96425390595454 35.453 > 8 *97 Au 0.25000000000000 0.08333333333333 0.00000000000000 196.967 > 9 98 Au 0.25000000000000 0.41666666666667 0.00000000000000 196.967 > 9 99 Au 0.25000000000000 0.75000000000000 0.00000000000000 196.967 > 9 100 Au 0.25000000000000 0.08333333333333 0.50000000000000 196.967 > 9 101 Au 0.25000000000000 0.41666666666667 0.50000000000000 196.967 > 9 102 Au 0.25000000000000 0.75000000000000 0.50000000000000 196.967 > 9 103 Au 0.25000000000000 0.25000000000000 0.25000000000000 196.967 > 10 104 Au 0.25000000000000 0.58333333333333 0.25000000000000 196.967 > 10 105 Au 0.25000000000000 0.91666666666667 0.25000000000000 196.967 > 10 106 Au 0.25000000000000 0.25000000000000 0.75000000000000 196.967 > 10 107 Au 0.25000000000000 0.58333333333333 0.75000000000000 196.967 > 10 108 Au 0.25000000000000 0.91666666666667 0.75000000000000 196.967 > 10 109 Au 0.75000000000000 0.25000000000000 0.00000000000000 196.967 > 9 110 Au 0.75000000000000 0.58333333333333 0.00000000000000 196.967 > 9 111 Au 0.75000000000000 0.91666666666667 0.00000000000000 196.967 > 9 112 Au 0.75000000000000 0.25000000000000 0.50000000000000 196.967 > 9 113 Au 0.75000000000000 0.58333333333333 0.50000000000000 196.967 > 9 114 Au 0.75000000000000 0.91666666666667 0.50000000000000 196.967 > 9 115 Au 0.75000000000000 0.08333333333333 0.25000000000000 196.967 > 10 116 Au 0.75000000000000 0.41666666666667 0.25000000000000 196.967 > 10 117 Au 0.75000000000000 0.75000000000000 0.25000000000000 196.967 > 10 118 Au 0.75000000000000 0.08333333333333 0.75000000000000 196.967 > 10 119 Au 0.75000000000000 0.41666666666667 0.75000000000000 196.967 > 10 120 Au 0.75000000000000 0.75000000000000 0.75000000000000 196.967 > 10 *121 Tl 0.00000000000000 0.25466485565779 0.37500000000000 204.383 > 11 122 Tl 0.00000000000000 0.58799818899112 0.37500000000000 204.383 > 11 123 Tl 0.00000000000000 0.92133152232446 0.37500000000000 204.383 > 11 124 Tl 0.00000000000000 0.25466485565779 0.87500000000000 204.383 > 11 125 Tl 0.00000000000000 0.58799818899112 0.87500000000000 204.383 > 11 126 Tl 0.00000000000000 0.92133152232446 0.87500000000000 204.383 > 11 127 Tl 0.00000000000000 0.07866847767554 0.12500000000000 204.383 > 12 128 Tl 0.00000000000000 0.41200181100888 0.12500000000000 204.383 > 12 129 Tl 0.00000000000000 0.74533514434221 0.12500000000000 204.383 > 12 130 Tl 0.00000000000000 0.07866847767554 0.62500000000000 204.383 > 12 131 Tl 0.00000000000000 0.41200181100888 0.62500000000000 204.383 > 12 132 Tl 0.00000000000000 0.74533514434221 0.62500000000000 204.383 > 12 133 Tl 0.50000000000000 0.08799818899112 0.37500000000000 204.383 > 11 134 Tl 0.50000000000000 0.42133152232446 0.37500000000000 204.383 > 11 135 Tl 0.50000000000000 0.75466485565779 0.37500000000000 204.383 > 11 136 Tl 0.50000000000000 0.08799818899112 0.87500000000000 204.383 > 11 137 Tl 0.50000000000000 0.42133152232446 0.87500000000000 204.383 > 11 138 Tl 0.50000000000000 0.75466485565779 0.87500000000000 204.383 > 11 139 Tl 0.50000000000000 0.24533514434221 0.12500000000000 204.383 > 12 140 Tl 0.50000000000000 0.57866847767554 0.12500000000000 204.383 > 12 141 Tl 0.50000000000000 0.91200181100888 0.12500000000000 204.383 > 12 142 Tl 0.50000000000000 0.24533514434221 0.62500000000000 204.383 > 12 143 Tl 0.50000000000000 0.57866847767554 0.62500000000000 204.383 > 12 144 Tl 0.50000000000000 0.91200181100888 0.62500000000000 204.383 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8458527 0.0000000 0.1488278 0.0000000 4.1562498 0.0000000 0.1488302 0.0000000 4.4012408 -------------------------- Born effective charges -------------------------- 1 Cl -0.6769599 0.0233937 0.1752203 0.0579558 -0.8714393 0.1867361 0.1720725 0.2797043 -0.8353415 2 Cl -0.6769599 -0.0233937 0.1752203 -0.0579558 -0.8714393 -0.1867361 0.1720725 -0.2797043 -0.8353415 3 Cl -0.6769599 0.0233937 0.1752203 0.0579558 -0.8714393 0.1867361 0.1720725 0.2797043 -0.8353415 4 Cl -0.6769599 -0.0233937 0.1752203 -0.0579558 -0.8714393 -0.1867361 0.1720725 -0.2797043 -0.8353415 5 Cl -1.1283655 -0.1064083 -0.1867728 -0.0058058 -0.5481335 0.1867539 -0.1949295 0.1570377 -0.6884804 6 Cl -1.1283655 0.1064083 -0.1867728 0.0058058 -0.5481335 -0.1867539 -0.1949295 -0.1570377 -0.6884804 7 Cl -1.1283655 -0.1064083 -0.1867728 -0.0058058 -0.5481335 0.1867539 -0.1949295 0.1570377 -0.6884804 8 Cl -1.1283655 0.1064083 -0.1867728 0.0058058 -0.5481335 -0.1867539 -0.1949295 -0.1570377 -0.6884804 9 Au 1.7517259 0.2456529 0.1558352 0.3571971 0.8576621 -0.2787571 0.1358660 -0.8072078 1.1597920 10 Au 1.7517259 -0.2456529 0.1558352 -0.3571971 0.8576621 0.2787571 0.1358660 0.8072078 1.1597920 11 Tl 1.8589249 0.0000000 -0.1327302 0.0000000 1.9814835 0.0000000 -0.0901520 0.0000000 1.8878518 12 Tl 1.8589249 0.0000000 -0.1327302 0.0000000 1.9814835 0.0000000 -0.0901520 0.0000000 1.8878518 ---------------------------------------------------------------------------- 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: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2046 Number of blocks in projector: 2046 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: 428 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 250 Use standard eigh solver. Tree of FC basis block matrices: - (2046, 2015), data: False |-- (250, 246), data: True |-- (250, 246), data: True |-- (250, 246), data: True |-- (428, 422), data: True |-- (428, 422), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.603 Solver_block: 200 / 400 - Time: 0.581 Solver_block: 300 / 400 - Time: 0.584 Solver_block: 400 / 400 - Time: 0.584 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.403 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2046 Number of blocks in projector: 2046 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: 428 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 250 Use standard eigh solver. Tree of FC basis block matrices: - (2046, 2015), data: False |-- (250, 246), data: True |-- (250, 246), data: True |-- (250, 246), data: True |-- (428, 422), data: True |-- (428, 422), 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 2026-01-08 07:08:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:08:09]------------------------- 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): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.941568871352815 -2.854497830000000 0.000000000000000 b 5.941568871352815 2.854497830000000 0.000000000000000 c -1.801793120271512 0.000000000000000 9.571935341510654 Atomic positions (fractional): 1 Cl 0.72056318146259 0.81446418245693 0.84706722041946 35.453 2 Cl 0.18553581754307 0.27943681853741 0.65293277958054 35.453 3 Cl 0.27943681853741 0.18553581754307 0.15293277958054 35.453 4 Cl 0.81446418245693 0.72056318146259 0.34706722041946 35.453 5 Cl 0.30987748636816 0.80225939148345 0.42850781190908 35.453 6 Cl 0.19774060851655 0.69012251363184 0.07149218809091 35.453 7 Cl 0.69012251363184 0.19774060851655 0.57149218809091 35.453 8 Cl 0.80225939148345 0.30987748636816 0.92850781190909 35.453 9 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 10 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 11 Tl 0.23600543302663 0.76399456697337 0.75000000000000 204.383 12 Tl 0.76399456697337 0.23600543302663 0.25000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.883137742705630 0.000000000000000 0.000000000000000 b 0.000000000000000 17.126986979999998 0.000000000000000 c -3.603586240543024 0.000000000000000 19.143870683021309 Atomic positions (fractional): 1 Cl 0.26751368195976 0.18231683349906 0.42353361020973 35.453 > 1 2 Cl 0.26751368195976 0.51565016683239 0.42353361020973 35.453 > 1 3 Cl 0.26751368195976 0.84898350016572 0.42353361020973 35.453 > 1 4 Cl 0.26751368195976 0.18231683349906 0.92353361020973 35.453 > 1 5 Cl 0.26751368195976 0.51565016683239 0.92353361020973 35.453 > 1 6 Cl 0.26751368195976 0.84898350016572 0.92353361020973 35.453 > 1 7 Cl 0.23248631804024 0.01565016683239 0.32646638979027 35.453 > 7 8 Cl 0.23248631804024 0.34898350016572 0.32646638979027 35.453 > 7 9 Cl 0.23248631804024 0.68231683349906 0.32646638979027 35.453 > 7 10 Cl 0.23248631804024 0.01565016683239 0.82646638979027 35.453 > 7 11 Cl 0.23248631804024 0.34898350016572 0.82646638979027 35.453 > 7 12 Cl 0.23248631804024 0.68231683349906 0.82646638979027 35.453 > 7 13 Cl 0.23248631804024 0.31768316650094 0.07646638979027 35.453 > 13 14 Cl 0.23248631804024 0.65101649983428 0.07646638979027 35.453 > 13 15 Cl 0.23248631804024 0.98434983316761 0.07646638979027 35.453 > 13 16 Cl 0.23248631804024 0.31768316650094 0.57646638979027 35.453 > 13 17 Cl 0.23248631804024 0.65101649983428 0.57646638979027 35.453 > 13 18 Cl 0.23248631804024 0.98434983316761 0.57646638979027 35.453 > 13 19 Cl 0.26751368195976 0.15101649983428 0.17353361020973 35.453 > 19 20 Cl 0.26751368195976 0.48434983316761 0.17353361020973 35.453 > 19 21 Cl 0.26751368195976 0.81768316650094 0.17353361020973 35.453 > 19 22 Cl 0.26751368195976 0.15101649983428 0.67353361020973 35.453 > 19 23 Cl 0.26751368195976 0.48434983316761 0.67353361020973 35.453 > 19 24 Cl 0.26751368195976 0.81768316650094 0.67353361020973 35.453 > 19 25 Cl 0.05606843892581 0.24873031751922 0.21425390595454 35.453 > 25 26 Cl 0.05606843892581 0.58206365085255 0.21425390595454 35.453 > 25 27 Cl 0.05606843892581 0.91539698418588 0.21425390595454 35.453 > 25 28 Cl 0.05606843892581 0.24873031751922 0.71425390595454 35.453 > 25 29 Cl 0.05606843892581 0.58206365085255 0.71425390595454 35.453 > 25 30 Cl 0.05606843892581 0.91539698418588 0.71425390595454 35.453 > 25 31 Cl 0.44393156107419 0.08206365085255 0.03574609404546 35.453 > 31 32 Cl 0.44393156107419 0.41539698418588 0.03574609404546 35.453 > 31 33 Cl 0.44393156107419 0.74873031751922 0.03574609404546 35.453 > 31 34 Cl 0.44393156107419 0.08206365085255 0.53574609404546 35.453 > 31 35 Cl 0.44393156107419 0.41539698418588 0.53574609404546 35.453 > 31 36 Cl 0.44393156107419 0.74873031751922 0.53574609404546 35.453 > 31 37 Cl 0.44393156107419 0.25126968248078 0.28574609404546 35.453 > 37 38 Cl 0.44393156107419 0.58460301581412 0.28574609404546 35.453 > 37 39 Cl 0.44393156107419 0.91793634914745 0.28574609404546 35.453 > 37 40 Cl 0.44393156107419 0.25126968248078 0.78574609404546 35.453 > 37 41 Cl 0.44393156107419 0.58460301581412 0.78574609404546 35.453 > 37 42 Cl 0.44393156107419 0.91793634914745 0.78574609404546 35.453 > 37 43 Cl 0.05606843892581 0.08460301581412 0.46425390595454 35.453 > 43 44 Cl 0.05606843892581 0.41793634914745 0.46425390595454 35.453 > 43 45 Cl 0.05606843892581 0.75126968248078 0.46425390595454 35.453 > 43 46 Cl 0.05606843892581 0.08460301581412 0.96425390595454 35.453 > 43 47 Cl 0.05606843892581 0.41793634914745 0.96425390595454 35.453 > 43 48 Cl 0.05606843892581 0.75126968248078 0.96425390595454 35.453 > 43 49 Cl 0.76751368195976 0.01565016683239 0.42353361020973 35.453 > 1 50 Cl 0.76751368195976 0.34898350016572 0.42353361020973 35.453 > 1 51 Cl 0.76751368195976 0.68231683349906 0.42353361020973 35.453 > 1 52 Cl 0.76751368195976 0.01565016683239 0.92353361020973 35.453 > 1 53 Cl 0.76751368195976 0.34898350016572 0.92353361020973 35.453 > 1 54 Cl 0.76751368195976 0.68231683349906 0.92353361020973 35.453 > 1 55 Cl 0.73248631804024 0.18231683349906 0.32646638979027 35.453 > 7 56 Cl 0.73248631804024 0.51565016683239 0.32646638979027 35.453 > 7 57 Cl 0.73248631804024 0.84898350016572 0.32646638979027 35.453 > 7 58 Cl 0.73248631804024 0.18231683349906 0.82646638979027 35.453 > 7 59 Cl 0.73248631804024 0.51565016683239 0.82646638979027 35.453 > 7 60 Cl 0.73248631804024 0.84898350016572 0.82646638979027 35.453 > 7 61 Cl 0.73248631804024 0.15101649983428 0.07646638979027 35.453 > 13 62 Cl 0.73248631804024 0.48434983316761 0.07646638979027 35.453 > 13 63 Cl 0.73248631804024 0.81768316650094 0.07646638979027 35.453 > 13 64 Cl 0.73248631804024 0.15101649983428 0.57646638979027 35.453 > 13 65 Cl 0.73248631804024 0.48434983316761 0.57646638979027 35.453 > 13 66 Cl 0.73248631804024 0.81768316650094 0.57646638979027 35.453 > 13 67 Cl 0.76751368195976 0.31768316650094 0.17353361020973 35.453 > 19 68 Cl 0.76751368195976 0.65101649983428 0.17353361020973 35.453 > 19 69 Cl 0.76751368195976 0.98434983316761 0.17353361020973 35.453 > 19 70 Cl 0.76751368195976 0.31768316650094 0.67353361020973 35.453 > 19 71 Cl 0.76751368195976 0.65101649983428 0.67353361020973 35.453 > 19 72 Cl 0.76751368195976 0.98434983316761 0.67353361020973 35.453 > 19 73 Cl 0.55606843892581 0.08206365085255 0.21425390595454 35.453 > 25 74 Cl 0.55606843892581 0.41539698418588 0.21425390595454 35.453 > 25 75 Cl 0.55606843892581 0.74873031751922 0.21425390595454 35.453 > 25 76 Cl 0.55606843892581 0.08206365085255 0.71425390595454 35.453 > 25 77 Cl 0.55606843892581 0.41539698418588 0.71425390595454 35.453 > 25 78 Cl 0.55606843892581 0.74873031751922 0.71425390595454 35.453 > 25 79 Cl 0.94393156107419 0.24873031751922 0.03574609404546 35.453 > 31 80 Cl 0.94393156107419 0.58206365085255 0.03574609404546 35.453 > 31 81 Cl 0.94393156107419 0.91539698418588 0.03574609404546 35.453 > 31 82 Cl 0.94393156107419 0.24873031751922 0.53574609404546 35.453 > 31 83 Cl 0.94393156107419 0.58206365085255 0.53574609404546 35.453 > 31 84 Cl 0.94393156107419 0.91539698418588 0.53574609404546 35.453 > 31 85 Cl 0.94393156107419 0.08460301581412 0.28574609404546 35.453 > 37 86 Cl 0.94393156107419 0.41793634914745 0.28574609404546 35.453 > 37 87 Cl 0.94393156107419 0.75126968248078 0.28574609404546 35.453 > 37 88 Cl 0.94393156107419 0.08460301581412 0.78574609404546 35.453 > 37 89 Cl 0.94393156107419 0.41793634914745 0.78574609404546 35.453 > 37 90 Cl 0.94393156107419 0.75126968248078 0.78574609404546 35.453 > 37 91 Cl 0.55606843892581 0.25126968248078 0.46425390595454 35.453 > 43 92 Cl 0.55606843892581 0.58460301581412 0.46425390595454 35.453 > 43 93 Cl 0.55606843892581 0.91793634914745 0.46425390595454 35.453 > 43 94 Cl 0.55606843892581 0.25126968248078 0.96425390595454 35.453 > 43 95 Cl 0.55606843892581 0.58460301581412 0.96425390595454 35.453 > 43 96 Cl 0.55606843892581 0.91793634914745 0.96425390595454 35.453 > 43 97 Au 0.25000000000000 0.08333333333333 0.00000000000000 196.967 > 97 98 Au 0.25000000000000 0.41666666666667 0.00000000000000 196.967 > 97 99 Au 0.25000000000000 0.75000000000000 0.00000000000000 196.967 > 97 100 Au 0.25000000000000 0.08333333333333 0.50000000000000 196.967 > 97 101 Au 0.25000000000000 0.41666666666667 0.50000000000000 196.967 > 97 102 Au 0.25000000000000 0.75000000000000 0.50000000000000 196.967 > 97 103 Au 0.25000000000000 0.25000000000000 0.25000000000000 196.967 > 103 104 Au 0.25000000000000 0.58333333333333 0.25000000000000 196.967 > 103 105 Au 0.25000000000000 0.91666666666667 0.25000000000000 196.967 > 103 106 Au 0.25000000000000 0.25000000000000 0.75000000000000 196.967 > 103 107 Au 0.25000000000000 0.58333333333333 0.75000000000000 196.967 > 103 108 Au 0.25000000000000 0.91666666666667 0.75000000000000 196.967 > 103 109 Au 0.75000000000000 0.25000000000000 0.00000000000000 196.967 > 97 110 Au 0.75000000000000 0.58333333333333 0.00000000000000 196.967 > 97 111 Au 0.75000000000000 0.91666666666667 0.00000000000000 196.967 > 97 112 Au 0.75000000000000 0.25000000000000 0.50000000000000 196.967 > 97 113 Au 0.75000000000000 0.58333333333333 0.50000000000000 196.967 > 97 114 Au 0.75000000000000 0.91666666666667 0.50000000000000 196.967 > 97 115 Au 0.75000000000000 0.08333333333333 0.25000000000000 196.967 > 103 116 Au 0.75000000000000 0.41666666666667 0.25000000000000 196.967 > 103 117 Au 0.75000000000000 0.75000000000000 0.25000000000000 196.967 > 103 118 Au 0.75000000000000 0.08333333333333 0.75000000000000 196.967 > 103 119 Au 0.75000000000000 0.41666666666667 0.75000000000000 196.967 > 103 120 Au 0.75000000000000 0.75000000000000 0.75000000000000 196.967 > 103 121 Tl 0.00000000000000 0.25466485565779 0.37500000000000 204.383 > 121 122 Tl 0.00000000000000 0.58799818899112 0.37500000000000 204.383 > 121 123 Tl 0.00000000000000 0.92133152232446 0.37500000000000 204.383 > 121 124 Tl 0.00000000000000 0.25466485565779 0.87500000000000 204.383 > 121 125 Tl 0.00000000000000 0.58799818899112 0.87500000000000 204.383 > 121 126 Tl 0.00000000000000 0.92133152232446 0.87500000000000 204.383 > 121 127 Tl 0.00000000000000 0.07866847767554 0.12500000000000 204.383 > 127 128 Tl 0.00000000000000 0.41200181100888 0.12500000000000 204.383 > 127 129 Tl 0.00000000000000 0.74533514434221 0.12500000000000 204.383 > 127 130 Tl 0.00000000000000 0.07866847767554 0.62500000000000 204.383 > 127 131 Tl 0.00000000000000 0.41200181100888 0.62500000000000 204.383 > 127 132 Tl 0.00000000000000 0.74533514434221 0.62500000000000 204.383 > 127 133 Tl 0.50000000000000 0.08799818899112 0.37500000000000 204.383 > 121 134 Tl 0.50000000000000 0.42133152232446 0.37500000000000 204.383 > 121 135 Tl 0.50000000000000 0.75466485565779 0.37500000000000 204.383 > 121 136 Tl 0.50000000000000 0.08799818899112 0.87500000000000 204.383 > 121 137 Tl 0.50000000000000 0.42133152232446 0.87500000000000 204.383 > 121 138 Tl 0.50000000000000 0.75466485565779 0.87500000000000 204.383 > 121 139 Tl 0.50000000000000 0.24533514434221 0.12500000000000 204.383 > 127 140 Tl 0.50000000000000 0.57866847767554 0.12500000000000 204.383 > 127 141 Tl 0.50000000000000 0.91200181100888 0.12500000000000 204.383 > 127 142 Tl 0.50000000000000 0.24533514434221 0.62500000000000 204.383 > 127 143 Tl 0.50000000000000 0.57866847767554 0.62500000000000 204.383 > 127 144 Tl 0.50000000000000 0.91200181100888 0.62500000000000 204.383 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8458527 0.0000000 0.1488278 0.0000000 4.1562498 0.0000000 0.1488302 0.0000000 4.4012408 -------------------------- Born effective charges -------------------------- 1 Cl -0.6769599 0.0233937 0.1752203 0.0579558 -0.8714393 0.1867361 0.1720725 0.2797043 -0.8353415 2 Cl -0.6769599 -0.0233937 0.1752203 -0.0579558 -0.8714393 -0.1867361 0.1720725 -0.2797043 -0.8353415 3 Cl -0.6769599 0.0233937 0.1752203 0.0579558 -0.8714393 0.1867361 0.1720725 0.2797043 -0.8353415 4 Cl -0.6769599 -0.0233937 0.1752203 -0.0579558 -0.8714393 -0.1867361 0.1720725 -0.2797043 -0.8353415 5 Cl -1.1283655 -0.1064083 -0.1867728 -0.0058058 -0.5481335 0.1867539 -0.1949295 0.1570377 -0.6884804 6 Cl -1.1283655 0.1064083 -0.1867728 0.0058058 -0.5481335 -0.1867539 -0.1949295 -0.1570377 -0.6884804 7 Cl -1.1283655 -0.1064083 -0.1867728 -0.0058058 -0.5481335 0.1867539 -0.1949295 0.1570377 -0.6884804 8 Cl -1.1283655 0.1064083 -0.1867728 0.0058058 -0.5481335 -0.1867539 -0.1949295 -0.1570377 -0.6884804 9 Au 1.7517259 0.2456529 0.1558352 0.3571971 0.8576621 -0.2787571 0.1358660 -0.8072078 1.1597920 10 Au 1.7517259 -0.2456529 0.1558352 -0.3571971 0.8576621 0.2787571 0.1358660 0.8072078 1.1597920 11 Tl 1.8589249 0.0000000 -0.1327302 0.0000000 1.9814835 0.0000000 -0.0901520 0.0000000 1.8878518 12 Tl 1.8589249 0.0000000 -0.1327302 0.0000000 1.9814835 0.0000000 -0.0901520 0.0000000 1.8878518 ---------------------------------------------------------------------------- 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 25, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:08:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:08:30]------------------------- 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): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.941568871352815 -2.854497830000000 0.000000000000000 b 5.941568871352815 2.854497830000000 0.000000000000000 c -1.801793120271512 0.000000000000000 9.571935341510654 Atomic positions (fractional): 1 Cl 0.72056318146259 0.81446418245693 0.84706722041946 35.453 2 Cl 0.18553581754307 0.27943681853741 0.65293277958054 35.453 3 Cl 0.27943681853741 0.18553581754307 0.15293277958054 35.453 4 Cl 0.81446418245693 0.72056318146259 0.34706722041946 35.453 5 Cl 0.30987748636816 0.80225939148345 0.42850781190908 35.453 6 Cl 0.19774060851655 0.69012251363184 0.07149218809091 35.453 7 Cl 0.69012251363184 0.19774060851655 0.57149218809091 35.453 8 Cl 0.80225939148345 0.30987748636816 0.92850781190909 35.453 9 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 10 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 11 Tl 0.23600543302663 0.76399456697337 0.75000000000000 204.383 12 Tl 0.76399456697337 0.23600543302663 0.25000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.883137742705630 0.000000000000000 0.000000000000000 b 0.000000000000000 17.126986979999998 0.000000000000000 c -3.603586240543024 0.000000000000000 19.143870683021309 Atomic positions (fractional): 1 Cl 0.26751368195976 0.18231683349906 0.42353361020973 35.453 > 1 2 Cl 0.26751368195976 0.51565016683239 0.42353361020973 35.453 > 1 3 Cl 0.26751368195976 0.84898350016572 0.42353361020973 35.453 > 1 4 Cl 0.26751368195976 0.18231683349906 0.92353361020973 35.453 > 1 5 Cl 0.26751368195976 0.51565016683239 0.92353361020973 35.453 > 1 6 Cl 0.26751368195976 0.84898350016572 0.92353361020973 35.453 > 1 7 Cl 0.23248631804024 0.01565016683239 0.32646638979027 35.453 > 7 8 Cl 0.23248631804024 0.34898350016572 0.32646638979027 35.453 > 7 9 Cl 0.23248631804024 0.68231683349906 0.32646638979027 35.453 > 7 10 Cl 0.23248631804024 0.01565016683239 0.82646638979027 35.453 > 7 11 Cl 0.23248631804024 0.34898350016572 0.82646638979027 35.453 > 7 12 Cl 0.23248631804024 0.68231683349906 0.82646638979027 35.453 > 7 13 Cl 0.23248631804024 0.31768316650094 0.07646638979027 35.453 > 13 14 Cl 0.23248631804024 0.65101649983428 0.07646638979027 35.453 > 13 15 Cl 0.23248631804024 0.98434983316761 0.07646638979027 35.453 > 13 16 Cl 0.23248631804024 0.31768316650094 0.57646638979027 35.453 > 13 17 Cl 0.23248631804024 0.65101649983428 0.57646638979027 35.453 > 13 18 Cl 0.23248631804024 0.98434983316761 0.57646638979027 35.453 > 13 19 Cl 0.26751368195976 0.15101649983428 0.17353361020973 35.453 > 19 20 Cl 0.26751368195976 0.48434983316761 0.17353361020973 35.453 > 19 21 Cl 0.26751368195976 0.81768316650094 0.17353361020973 35.453 > 19 22 Cl 0.26751368195976 0.15101649983428 0.67353361020973 35.453 > 19 23 Cl 0.26751368195976 0.48434983316761 0.67353361020973 35.453 > 19 24 Cl 0.26751368195976 0.81768316650094 0.67353361020973 35.453 > 19 25 Cl 0.05606843892581 0.24873031751922 0.21425390595454 35.453 > 25 26 Cl 0.05606843892581 0.58206365085255 0.21425390595454 35.453 > 25 27 Cl 0.05606843892581 0.91539698418588 0.21425390595454 35.453 > 25 28 Cl 0.05606843892581 0.24873031751922 0.71425390595454 35.453 > 25 29 Cl 0.05606843892581 0.58206365085255 0.71425390595454 35.453 > 25 30 Cl 0.05606843892581 0.91539698418588 0.71425390595454 35.453 > 25 31 Cl 0.44393156107419 0.08206365085255 0.03574609404546 35.453 > 31 32 Cl 0.44393156107419 0.41539698418588 0.03574609404546 35.453 > 31 33 Cl 0.44393156107419 0.74873031751922 0.03574609404546 35.453 > 31 34 Cl 0.44393156107419 0.08206365085255 0.53574609404546 35.453 > 31 35 Cl 0.44393156107419 0.41539698418588 0.53574609404546 35.453 > 31 36 Cl 0.44393156107419 0.74873031751922 0.53574609404546 35.453 > 31 37 Cl 0.44393156107419 0.25126968248078 0.28574609404546 35.453 > 37 38 Cl 0.44393156107419 0.58460301581412 0.28574609404546 35.453 > 37 39 Cl 0.44393156107419 0.91793634914745 0.28574609404546 35.453 > 37 40 Cl 0.44393156107419 0.25126968248078 0.78574609404546 35.453 > 37 41 Cl 0.44393156107419 0.58460301581412 0.78574609404546 35.453 > 37 42 Cl 0.44393156107419 0.91793634914745 0.78574609404546 35.453 > 37 43 Cl 0.05606843892581 0.08460301581412 0.46425390595454 35.453 > 43 44 Cl 0.05606843892581 0.41793634914745 0.46425390595454 35.453 > 43 45 Cl 0.05606843892581 0.75126968248078 0.46425390595454 35.453 > 43 46 Cl 0.05606843892581 0.08460301581412 0.96425390595454 35.453 > 43 47 Cl 0.05606843892581 0.41793634914745 0.96425390595454 35.453 > 43 48 Cl 0.05606843892581 0.75126968248078 0.96425390595454 35.453 > 43 49 Cl 0.76751368195976 0.01565016683239 0.42353361020973 35.453 > 1 50 Cl 0.76751368195976 0.34898350016572 0.42353361020973 35.453 > 1 51 Cl 0.76751368195976 0.68231683349906 0.42353361020973 35.453 > 1 52 Cl 0.76751368195976 0.01565016683239 0.92353361020973 35.453 > 1 53 Cl 0.76751368195976 0.34898350016572 0.92353361020973 35.453 > 1 54 Cl 0.76751368195976 0.68231683349906 0.92353361020973 35.453 > 1 55 Cl 0.73248631804024 0.18231683349906 0.32646638979027 35.453 > 7 56 Cl 0.73248631804024 0.51565016683239 0.32646638979027 35.453 > 7 57 Cl 0.73248631804024 0.84898350016572 0.32646638979027 35.453 > 7 58 Cl 0.73248631804024 0.18231683349906 0.82646638979027 35.453 > 7 59 Cl 0.73248631804024 0.51565016683239 0.82646638979027 35.453 > 7 60 Cl 0.73248631804024 0.84898350016572 0.82646638979027 35.453 > 7 61 Cl 0.73248631804024 0.15101649983428 0.07646638979027 35.453 > 13 62 Cl 0.73248631804024 0.48434983316761 0.07646638979027 35.453 > 13 63 Cl 0.73248631804024 0.81768316650094 0.07646638979027 35.453 > 13 64 Cl 0.73248631804024 0.15101649983428 0.57646638979027 35.453 > 13 65 Cl 0.73248631804024 0.48434983316761 0.57646638979027 35.453 > 13 66 Cl 0.73248631804024 0.81768316650094 0.57646638979027 35.453 > 13 67 Cl 0.76751368195976 0.31768316650094 0.17353361020973 35.453 > 19 68 Cl 0.76751368195976 0.65101649983428 0.17353361020973 35.453 > 19 69 Cl 0.76751368195976 0.98434983316761 0.17353361020973 35.453 > 19 70 Cl 0.76751368195976 0.31768316650094 0.67353361020973 35.453 > 19 71 Cl 0.76751368195976 0.65101649983428 0.67353361020973 35.453 > 19 72 Cl 0.76751368195976 0.98434983316761 0.67353361020973 35.453 > 19 73 Cl 0.55606843892581 0.08206365085255 0.21425390595454 35.453 > 25 74 Cl 0.55606843892581 0.41539698418588 0.21425390595454 35.453 > 25 75 Cl 0.55606843892581 0.74873031751922 0.21425390595454 35.453 > 25 76 Cl 0.55606843892581 0.08206365085255 0.71425390595454 35.453 > 25 77 Cl 0.55606843892581 0.41539698418588 0.71425390595454 35.453 > 25 78 Cl 0.55606843892581 0.74873031751922 0.71425390595454 35.453 > 25 79 Cl 0.94393156107419 0.24873031751922 0.03574609404546 35.453 > 31 80 Cl 0.94393156107419 0.58206365085255 0.03574609404546 35.453 > 31 81 Cl 0.94393156107419 0.91539698418588 0.03574609404546 35.453 > 31 82 Cl 0.94393156107419 0.24873031751922 0.53574609404546 35.453 > 31 83 Cl 0.94393156107419 0.58206365085255 0.53574609404546 35.453 > 31 84 Cl 0.94393156107419 0.91539698418588 0.53574609404546 35.453 > 31 85 Cl 0.94393156107419 0.08460301581412 0.28574609404546 35.453 > 37 86 Cl 0.94393156107419 0.41793634914745 0.28574609404546 35.453 > 37 87 Cl 0.94393156107419 0.75126968248078 0.28574609404546 35.453 > 37 88 Cl 0.94393156107419 0.08460301581412 0.78574609404546 35.453 > 37 89 Cl 0.94393156107419 0.41793634914745 0.78574609404546 35.453 > 37 90 Cl 0.94393156107419 0.75126968248078 0.78574609404546 35.453 > 37 91 Cl 0.55606843892581 0.25126968248078 0.46425390595454 35.453 > 43 92 Cl 0.55606843892581 0.58460301581412 0.46425390595454 35.453 > 43 93 Cl 0.55606843892581 0.91793634914745 0.46425390595454 35.453 > 43 94 Cl 0.55606843892581 0.25126968248078 0.96425390595454 35.453 > 43 95 Cl 0.55606843892581 0.58460301581412 0.96425390595454 35.453 > 43 96 Cl 0.55606843892581 0.91793634914745 0.96425390595454 35.453 > 43 97 Au 0.25000000000000 0.08333333333333 0.00000000000000 196.967 > 97 98 Au 0.25000000000000 0.41666666666667 0.00000000000000 196.967 > 97 99 Au 0.25000000000000 0.75000000000000 0.00000000000000 196.967 > 97 100 Au 0.25000000000000 0.08333333333333 0.50000000000000 196.967 > 97 101 Au 0.25000000000000 0.41666666666667 0.50000000000000 196.967 > 97 102 Au 0.25000000000000 0.75000000000000 0.50000000000000 196.967 > 97 103 Au 0.25000000000000 0.25000000000000 0.25000000000000 196.967 > 103 104 Au 0.25000000000000 0.58333333333333 0.25000000000000 196.967 > 103 105 Au 0.25000000000000 0.91666666666667 0.25000000000000 196.967 > 103 106 Au 0.25000000000000 0.25000000000000 0.75000000000000 196.967 > 103 107 Au 0.25000000000000 0.58333333333333 0.75000000000000 196.967 > 103 108 Au 0.25000000000000 0.91666666666667 0.75000000000000 196.967 > 103 109 Au 0.75000000000000 0.25000000000000 0.00000000000000 196.967 > 97 110 Au 0.75000000000000 0.58333333333333 0.00000000000000 196.967 > 97 111 Au 0.75000000000000 0.91666666666667 0.00000000000000 196.967 > 97 112 Au 0.75000000000000 0.25000000000000 0.50000000000000 196.967 > 97 113 Au 0.75000000000000 0.58333333333333 0.50000000000000 196.967 > 97 114 Au 0.75000000000000 0.91666666666667 0.50000000000000 196.967 > 97 115 Au 0.75000000000000 0.08333333333333 0.25000000000000 196.967 > 103 116 Au 0.75000000000000 0.41666666666667 0.25000000000000 196.967 > 103 117 Au 0.75000000000000 0.75000000000000 0.25000000000000 196.967 > 103 118 Au 0.75000000000000 0.08333333333333 0.75000000000000 196.967 > 103 119 Au 0.75000000000000 0.41666666666667 0.75000000000000 196.967 > 103 120 Au 0.75000000000000 0.75000000000000 0.75000000000000 196.967 > 103 121 Tl 0.00000000000000 0.25466485565779 0.37500000000000 204.383 > 121 122 Tl 0.00000000000000 0.58799818899112 0.37500000000000 204.383 > 121 123 Tl 0.00000000000000 0.92133152232446 0.37500000000000 204.383 > 121 124 Tl 0.00000000000000 0.25466485565779 0.87500000000000 204.383 > 121 125 Tl 0.00000000000000 0.58799818899112 0.87500000000000 204.383 > 121 126 Tl 0.00000000000000 0.92133152232446 0.87500000000000 204.383 > 121 127 Tl 0.00000000000000 0.07866847767554 0.12500000000000 204.383 > 127 128 Tl 0.00000000000000 0.41200181100888 0.12500000000000 204.383 > 127 129 Tl 0.00000000000000 0.74533514434221 0.12500000000000 204.383 > 127 130 Tl 0.00000000000000 0.07866847767554 0.62500000000000 204.383 > 127 131 Tl 0.00000000000000 0.41200181100888 0.62500000000000 204.383 > 127 132 Tl 0.00000000000000 0.74533514434221 0.62500000000000 204.383 > 127 133 Tl 0.50000000000000 0.08799818899112 0.37500000000000 204.383 > 121 134 Tl 0.50000000000000 0.42133152232446 0.37500000000000 204.383 > 121 135 Tl 0.50000000000000 0.75466485565779 0.37500000000000 204.383 > 121 136 Tl 0.50000000000000 0.08799818899112 0.87500000000000 204.383 > 121 137 Tl 0.50000000000000 0.42133152232446 0.87500000000000 204.383 > 121 138 Tl 0.50000000000000 0.75466485565779 0.87500000000000 204.383 > 121 139 Tl 0.50000000000000 0.24533514434221 0.12500000000000 204.383 > 127 140 Tl 0.50000000000000 0.57866847767554 0.12500000000000 204.383 > 127 141 Tl 0.50000000000000 0.91200181100888 0.12500000000000 204.383 > 127 142 Tl 0.50000000000000 0.24533514434221 0.62500000000000 204.383 > 127 143 Tl 0.50000000000000 0.57866847767554 0.62500000000000 204.383 > 127 144 Tl 0.50000000000000 0.91200181100888 0.62500000000000 204.383 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8458527 0.0000000 0.1488278 0.0000000 4.1562498 0.0000000 0.1488302 0.0000000 4.4012408 -------------------------- Born effective charges -------------------------- 1 Cl -0.6769599 0.0233937 0.1752203 0.0579558 -0.8714393 0.1867361 0.1720725 0.2797043 -0.8353415 2 Cl -0.6769599 -0.0233937 0.1752203 -0.0579558 -0.8714393 -0.1867361 0.1720725 -0.2797043 -0.8353415 3 Cl -0.6769599 0.0233937 0.1752203 0.0579558 -0.8714393 0.1867361 0.1720725 0.2797043 -0.8353415 4 Cl -0.6769599 -0.0233937 0.1752203 -0.0579558 -0.8714393 -0.1867361 0.1720725 -0.2797043 -0.8353415 5 Cl -1.1283655 -0.1064083 -0.1867728 -0.0058058 -0.5481335 0.1867539 -0.1949295 0.1570377 -0.6884804 6 Cl -1.1283655 0.1064083 -0.1867728 0.0058058 -0.5481335 -0.1867539 -0.1949295 -0.1570377 -0.6884804 7 Cl -1.1283655 -0.1064083 -0.1867728 -0.0058058 -0.5481335 0.1867539 -0.1949295 0.1570377 -0.6884804 8 Cl -1.1283655 0.1064083 -0.1867728 0.0058058 -0.5481335 -0.1867539 -0.1949295 -0.1570377 -0.6884804 9 Au 1.7517259 0.2456529 0.1558352 0.3571971 0.8576621 -0.2787571 0.1358660 -0.8072078 1.1597920 10 Au 1.7517259 -0.2456529 0.1558352 -0.3571971 0.8576621 0.2787571 0.1358660 0.8072078 1.1597920 11 Tl 1.8589249 0.0000000 -0.1327302 0.0000000 1.9814835 0.0000000 -0.0901520 0.0000000 1.8878518 12 Tl 1.8589249 0.0000000 -0.1327302 0.0000000 1.9814835 0.0000000 -0.0901520 0.0000000 1.8878518 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 10 5 ] 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: 0.60, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/141) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 141 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 0.752 ( 0.000 0.000 0.000) 0.000 0.770 ( 0.000 0.000 0.000) 0.000 0.795 ( 0.000 0.000 0.000) 0.000 1.000 ( 0.000 0.000 0.000) 0.000 1.066 ( 0.000 0.000 0.000) 0.000 1.145 ( 0.000 0.000 0.000) 0.000 1.309 ( 0.000 0.000 0.000) 0.000 1.317 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.869 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 4.904 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.343 ( 0.000 0.000 0.000) 0.000 10.067 ( 0.000 0.000 0.000) 0.000 10.072 ( 0.000 0.000 0.000) 0.000 10.397 ( 0.000 0.000 0.000) 0.000 10.420 ( 0.000 0.000 0.000) 0.000 10.494 ( 0.000 0.000 0.000) 0.000 10.647 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/141) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.183 ( 8.576 -6.046 1.129) 10.553 0.241 ( 1.927 -12.053 2.475) 12.455 0.360 ( 7.826 -15.926 0.324) 17.748 0.758 ( 0.079 -0.572 1.732) 1.826 0.794 ( 0.540 -2.483 -1.222) 2.820 0.849 ( 0.269 -3.043 -2.293) 3.819 1.012 ( 3.331 1.562 0.789) 3.762 1.149 ( -1.554 -1.314 3.302) 3.879 1.236 ( -0.009 5.397 0.517) 5.421 1.338 ( -0.235 0.100 -0.268) 0.370 1.568 ( -1.293 1.553 -2.548) 3.252 1.626 ( -3.629 1.621 -4.207) 5.787 1.980 ( 1.460 2.213 0.149) 2.655 2.143 ( -1.026 6.996 0.676) 7.103 2.204 ( -0.471 5.365 -0.093) 5.386 2.342 ( -2.055 0.984 -0.048) 2.278 2.798 ( -4.961 3.539 0.224) 6.098 2.924 ( -5.411 -3.777 -0.032) 6.599 3.027 ( 6.050 -0.714 0.516) 6.114 3.271 ( 0.794 -5.277 -0.156) 5.338 4.130 ( 1.710 -0.945 -1.058) 2.222 4.453 ( -7.517 -3.914 -2.344) 8.793 4.827 ( -2.470 1.382 -0.504) 2.875 4.881 ( -0.235 0.671 0.038) 0.712 4.897 ( 3.204 0.683 0.147) 3.279 4.923 ( -0.142 0.066 1.195) 1.205 4.983 ( 4.163 -2.764 -1.002) 5.096 5.090 ( -0.572 0.049 -0.006) 0.574 9.334 ( 0.039 0.139 -0.050) 0.153 9.342 ( -0.557 -0.254 0.068) 0.616 10.060 ( -1.002 0.169 -0.394) 1.090 10.072 ( 0.300 0.200 0.140) 0.387 10.420 ( -0.265 -0.275 0.767) 0.856 10.451 ( -2.791 -2.272 -2.713) 4.507 10.589 ( 10.011 5.265 4.652) 12.230 10.642 ( -0.361 0.195 -0.718) 0.827 ======================= Grid point 2 (3/141) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 7.089 -5.768 1.122) 9.208 0.454 ( 2.118 -9.699 2.360) 10.204 0.663 ( 5.608 -10.138 -0.032) 11.586 0.789 ( 2.710 -2.539 1.807) 4.130 0.853 ( 1.268 -3.570 -2.852) 4.742 0.918 ( 0.802 -4.560 -2.102) 5.085 1.016 ( 3.560 1.287 0.026) 3.786 1.134 ( 0.445 5.696 1.931) 6.031 1.177 ( -1.210 -2.018 4.049) 4.683 1.303 ( -0.527 3.311 -2.193) 4.006 1.491 ( -1.194 5.234 0.748) 5.420 1.564 ( -2.676 1.443 -4.598) 5.512 1.905 ( 1.966 8.793 -0.154) 9.011 2.019 ( -3.330 3.535 -0.435) 4.876 2.087 ( -1.168 6.569 1.015) 6.749 2.302 ( -2.383 1.164 -0.251) 2.663 2.656 ( -8.766 5.455 0.350) 10.331 2.941 ( -2.144 -1.787 0.488) 2.833 3.120 ( 3.987 -3.750 0.452) 5.492 3.376 ( 0.441 -5.631 -0.276) 5.655 4.168 ( 2.053 -1.530 -0.413) 2.593 4.457 ( -3.138 -2.052 -1.137) 3.918 4.792 ( -0.803 0.955 -0.058) 1.248 4.867 ( -1.295 0.247 0.034) 1.319 4.911 ( 3.021 0.973 0.176) 3.179 4.925 ( -0.351 -0.563 0.050) 0.666 5.042 ( 1.251 -0.228 -0.418) 1.339 5.104 ( 1.638 -2.266 0.048) 2.796 9.329 ( -0.479 0.146 -0.040) 0.503 9.344 ( -0.250 -0.307 0.018) 0.396 10.047 ( -1.236 0.025 -0.571) 1.362 10.070 ( 0.511 0.406 0.262) 0.704 10.422 ( -0.127 -0.026 0.362) 0.385 10.462 ( -1.630 -1.188 -0.695) 2.134 10.592 ( 6.093 2.683 2.324) 7.052 10.634 ( -0.518 0.163 -1.118) 1.243 ======================= Grid point 3 (4/141) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 4.713 -4.750 0.860) 6.746 0.618 ( 2.400 -6.436 2.357) 7.262 0.749 ( 1.752 0.105 0.319) 1.783 0.887 ( 3.202 -1.513 -3.191) 4.767 0.952 ( 2.836 -4.637 1.774) 5.718 0.994 ( 0.543 -1.927 -5.642) 5.987 1.035 ( 3.858 -0.262 -0.137) 3.869 1.072 ( 1.522 0.518 4.885) 5.143 1.214 ( -1.573 2.512 -0.316) 2.980 1.223 ( 0.117 -0.811 0.958) 1.261 1.401 ( -0.230 4.102 3.168) 5.188 1.509 ( -2.058 1.672 -4.596) 5.306 1.751 ( -0.228 8.045 -0.505) 8.065 1.938 ( -1.867 3.610 -2.831) 4.953 1.983 ( -2.592 3.459 2.876) 5.191 2.271 ( -1.028 0.577 -0.188) 1.194 2.482 ( -8.901 5.489 0.910) 10.497 2.949 ( -1.276 -0.636 0.290) 1.455 3.207 ( 2.210 -2.892 0.569) 3.684 3.464 ( 0.183 -4.136 -0.555) 4.177 4.213 ( 1.903 -1.561 0.134) 2.465 4.467 ( -1.199 -1.221 -0.812) 1.894 4.778 ( 0.674 0.576 0.254) 0.922 4.850 ( -1.909 0.109 -0.109) 1.915 4.914 ( 0.620 0.266 -0.036) 0.675 4.938 ( 1.531 -0.179 -0.357) 1.583 5.031 ( -0.875 0.843 -0.128) 1.222 5.173 ( 2.665 -2.576 0.092) 3.708 9.322 ( -0.644 0.091 0.015) 0.651 9.348 ( 0.076 -0.268 -0.100) 0.296 10.039 ( -1.003 -0.236 -0.584) 1.184 10.066 ( 0.552 0.629 0.323) 0.897 10.421 ( -0.098 0.013 0.394) 0.406 10.461 ( -1.508 -0.344 -0.336) 1.583 10.603 ( 4.426 1.537 1.492) 4.917 10.626 ( -0.548 -0.079 -1.112) 1.242 ======================= Grid point 4 (5/141) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 2.007 -2.723 0.633) 3.441 0.717 ( 2.539 -0.900 2.237) 3.501 0.768 ( 1.732 -2.411 -0.258) 2.979 0.901 ( -0.069 0.830 -1.903) 2.077 0.969 ( -0.537 1.682 2.002) 2.669 1.000 ( 1.957 0.557 -5.995) 6.331 1.048 ( 1.976 1.926 -0.873) 2.894 1.135 ( 2.082 -1.980 1.365) 3.181 1.174 ( 0.860 -0.362 2.204) 2.393 1.258 ( -1.672 -1.038 2.336) 3.055 1.368 ( 0.377 0.062 1.500) 1.548 1.471 ( -0.654 0.324 -3.124) 3.208 1.645 ( -0.459 3.335 -0.915) 3.489 1.865 ( -0.799 2.583 -1.190) 2.954 1.925 ( -1.807 1.526 1.348) 2.723 2.259 ( -0.192 0.427 -0.015) 0.468 2.336 ( -5.992 3.432 0.982) 6.975 2.945 ( -0.922 -0.054 0.062) 0.925 3.258 ( 1.029 -1.359 0.401) 1.751 3.519 ( 0.052 -2.074 -0.515) 2.138 4.250 ( 1.200 -1.003 0.402) 1.615 4.475 ( -0.344 -0.545 -0.578) 0.866 4.781 ( 1.262 0.285 0.361) 1.343 4.833 ( -1.745 0.050 -0.241) 1.762 4.914 ( -0.036 -0.014 -0.117) 0.123 4.953 ( 1.464 -0.156 -0.396) 1.525 5.008 ( -1.030 0.656 0.058) 1.223 5.227 ( 1.564 -1.432 0.102) 2.122 9.317 ( -0.374 0.023 0.036) 0.376 9.353 ( 0.111 -0.158 -0.123) 0.229 10.037 ( -0.633 -0.437 -0.470) 0.902 10.059 ( 0.427 0.709 0.307) 0.883 10.423 ( 0.130 -0.079 0.476) 0.500 10.451 ( -1.116 0.042 -0.385) 1.181 10.614 ( 2.374 0.851 0.803) 2.646 10.624 ( -0.343 -0.228 -0.687) 0.801 ======================= Grid point 5 (6/141) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 0.000 -0.000 -0.000) 0.000 0.726 ( 0.000 0.000 0.000) 0.000 0.840 ( 0.000 -0.000 0.000) 0.000 0.855 ( 0.000 -0.000 -0.000) 0.000 0.952 ( 0.000 -0.000 -0.000) 0.000 0.990 ( 0.000 -0.000 -0.000) 0.000 1.040 ( 0.000 -0.000 0.000) 0.000 1.150 ( -0.000 -0.000 0.000) 0.000 1.214 ( 0.000 -0.000 0.000) 0.000 1.239 ( 0.000 -0.000 -0.000) 0.000 1.380 ( -0.000 -0.000 -0.000) 0.000 1.466 ( 0.000 -0.000 0.000) 0.000 1.617 ( 0.000 -0.000 0.000) 0.000 1.837 ( 0.000 -0.000 -0.000) 0.000 1.905 ( 0.000 -0.000 0.000) 0.000 2.247 ( 0.000 -0.000 -0.000) 0.000 2.286 ( 0.000 -0.000 -0.000) 0.000 2.941 ( 0.000 -0.000 0.000) 0.000 3.274 ( -0.000 -0.000 0.000) 0.000 3.537 ( 0.000 -0.000 -0.000) 0.000 4.265 ( 0.000 -0.000 0.000) 0.000 4.478 ( -0.000 -0.000 -0.000) 0.000 4.785 ( 0.000 -0.000 -0.000) 0.000 4.823 ( -0.000 -0.000 0.000) 0.000 4.914 ( 0.000 -0.000 0.000) 0.000 4.962 ( -0.000 -0.000 -0.000) 0.000 4.996 ( 0.000 -0.000 0.000) 0.000 5.247 ( 0.000 -0.000 -0.000) 0.000 9.315 ( -0.000 -0.000 0.000) 0.000 9.355 ( 0.000 -0.000 -0.000) 0.000 10.039 ( 0.000 -0.000 -0.000) 0.000 10.053 ( 0.000 -0.000 0.000) 0.000 10.425 ( 0.000 -0.000 0.000) 0.000 10.444 ( 0.000 -0.000 -0.000) 0.000 10.616 ( 0.000 0.000 0.000) 0.000 10.624 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/141) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.146 ( 9.036 0.000 -1.008) 9.092 0.177 ( 9.638 0.000 2.886) 10.061 0.350 ( 19.511 0.000 4.532) 20.031 0.759 ( 0.871 0.000 3.355) 3.466 0.775 ( 0.616 0.000 -0.079) 0.621 0.808 ( 2.207 0.000 -5.659) 6.075 1.074 ( 0.961 0.000 -0.427) 1.052 1.115 ( -1.322 -0.000 7.374) 7.492 1.292 ( -2.081 -0.000 0.983) 2.301 1.328 ( 1.850 0.000 0.153) 1.856 1.533 ( 0.499 0.000 -11.834) 11.844 1.599 ( -2.941 -0.000 -2.432) 3.816 2.009 ( 1.611 0.000 1.029) 1.911 2.217 ( -0.327 -0.000 0.282) 0.432 2.249 ( -1.504 -0.000 -0.601) 1.619 2.326 ( -3.637 -0.000 0.711) 3.706 2.793 ( -10.940 -0.000 -0.002) 10.940 2.814 ( -3.805 -0.000 1.111) 3.963 3.068 ( 4.046 0.000 -0.302) 4.057 3.235 ( 2.746 0.000 -0.438) 2.780 4.149 ( 3.913 0.000 -4.790) 6.185 4.299 ( -1.319 -0.000 0.754) 1.519 4.826 ( -1.591 -0.000 -0.740) 1.755 4.850 ( -3.245 -0.000 1.146) 3.441 4.948 ( 0.106 0.000 -1.530) 1.534 4.957 ( 5.279 0.000 1.114) 5.395 4.989 ( 4.901 0.000 -0.979) 4.998 5.083 ( -1.320 -0.000 -0.057) 1.321 9.337 ( 0.298 0.000 -0.072) 0.306 9.340 ( -0.442 -0.000 0.555) 0.709 10.058 ( -1.015 -0.000 -0.343) 1.071 10.078 ( 0.523 0.000 0.397) 0.657 10.393 ( -0.521 -0.000 0.370) 0.638 10.426 ( 0.184 0.000 -1.281) 1.294 10.638 ( -0.678 -0.000 -1.414) 1.568 10.755 ( 0.941 0.000 3.219) 3.353 ======================= Grid point 13 (8/141) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( 6.001 -8.870 1.042) 10.760 0.330 ( 7.809 -5.614 1.980) 9.819 0.580 ( 15.275 -7.029 2.975) 17.075 0.786 ( 2.692 -1.083 2.922) 4.118 0.806 ( 1.507 -2.322 -1.917) 3.367 0.854 ( 1.499 -3.423 -4.094) 5.543 1.072 ( 3.259 1.049 -0.376) 3.444 1.133 ( -1.658 -1.652 5.317) 5.809 1.232 ( -1.274 4.181 1.984) 4.800 1.341 ( 1.311 1.223 -1.371) 2.257 1.522 ( -2.337 -0.072 -5.645) 6.110 1.552 ( -3.125 1.828 -2.914) 4.648 2.010 ( 0.711 1.341 0.477) 1.591 2.113 ( -2.192 9.198 0.637) 9.477 2.189 ( -1.595 5.137 -1.100) 5.490 2.284 ( -4.425 0.749 0.823) 4.562 2.656 ( -10.972 3.580 -0.222) 11.544 2.832 ( -5.981 -4.626 1.366) 7.684 3.118 ( 4.527 -2.035 -0.220) 4.968 3.298 ( 2.378 -3.908 -0.214) 4.580 4.174 ( 3.655 -0.179 -1.481) 3.948 4.354 ( -3.235 -5.249 -0.827) 6.221 4.802 ( -0.497 0.920 0.020) 1.046 4.840 ( -2.728 -0.779 0.547) 2.889 4.934 ( 0.535 0.996 -0.888) 1.438 4.978 ( 5.197 1.906 0.478) 5.556 5.047 ( 1.854 -0.510 -0.466) 1.978 5.081 ( 1.033 -1.782 0.008) 2.060 9.329 ( -0.505 0.477 0.266) 0.744 9.341 ( 0.238 -0.085 0.134) 0.286 10.040 ( -1.200 0.460 -0.507) 1.381 10.082 ( 0.702 0.211 0.424) 0.847 10.409 ( -1.478 -1.521 1.060) 2.371 10.428 ( -0.123 -0.527 -1.298) 1.406 10.628 ( -0.766 0.104 -1.765) 1.927 10.718 ( 4.641 4.583 2.429) 6.960 ======================= Grid point 14 (9/141) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 6.981 -4.066 0.541) 8.097 0.516 ( 4.167 -8.158 2.783) 9.574 0.773 ( 6.075 -1.547 1.432) 6.430 0.866 ( 1.955 -2.906 -4.040) 5.346 0.884 ( 7.643 -6.203 2.215) 10.089 0.931 ( 1.766 -4.334 -2.580) 5.344 1.081 ( 3.389 1.566 0.327) 3.748 1.146 ( 0.006 3.643 3.781) 5.250 1.170 ( -1.255 -1.916 5.992) 6.415 1.295 ( 1.342 4.520 -5.199) 7.019 1.473 ( -1.219 3.433 2.258) 4.286 1.491 ( -3.781 0.567 -6.151) 7.242 1.905 ( -4.890 9.715 0.404) 10.883 1.979 ( 1.748 3.647 -1.288) 4.244 2.061 ( -2.007 6.644 0.505) 6.959 2.244 ( -4.579 -0.647 0.009) 4.624 2.491 ( -10.385 4.563 -0.014) 11.343 2.861 ( -6.719 -4.249 1.305) 8.056 3.203 ( 4.926 -2.570 -0.058) 5.556 3.390 ( 1.357 -4.463 -0.141) 4.666 4.211 ( 2.966 -0.878 -0.291) 3.107 4.407 ( -2.080 -3.607 -1.090) 4.304 4.791 ( 0.349 0.414 0.445) 0.700 4.828 ( -2.293 -0.303 0.226) 2.324 4.924 ( 0.527 0.505 -0.875) 1.139 4.987 ( 4.676 1.920 0.212) 5.060 5.034 ( -1.524 0.706 -0.150) 1.686 5.151 ( 3.207 -2.660 0.009) 4.167 9.319 ( -0.579 0.208 0.161) 0.636 9.346 ( 0.261 -0.169 -0.014) 0.311 10.026 ( -1.110 -0.049 -0.581) 1.254 10.083 ( 0.728 0.487 0.382) 0.956 10.415 ( -1.205 -0.534 0.867) 1.578 10.436 ( -0.911 -0.828 -0.801) 1.469 10.617 ( -0.710 0.062 -1.670) 1.815 10.694 ( 4.791 3.377 1.811) 6.135 ======================= Grid point 15 (10/141) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 5.236 -2.052 0.541) 5.649 0.676 ( 3.294 -6.110 2.205) 7.284 0.804 ( 3.831 1.824 1.275) 4.431 0.906 ( 1.086 -0.416 -3.475) 3.664 0.992 ( 0.896 1.034 -2.719) 3.044 1.021 ( 3.591 -1.647 0.906) 4.053 1.096 ( 2.906 -2.283 3.157) 4.860 1.122 ( 3.232 0.973 0.571) 3.424 1.185 ( -1.867 2.379 -0.186) 3.030 1.241 ( 1.787 -0.479 0.457) 1.906 1.402 ( -1.070 3.662 3.311) 5.052 1.453 ( -2.554 -0.391 -4.363) 5.070 1.720 ( -3.123 6.642 -0.373) 7.349 1.918 ( 0.746 4.038 -2.261) 4.687 1.956 ( -1.146 3.431 1.679) 3.988 2.229 ( -4.329 -1.797 -0.197) 4.692 2.338 ( -7.940 3.570 -0.055) 8.706 2.873 ( -6.637 -3.471 1.358) 7.611 3.277 ( 4.973 -0.881 0.221) 5.056 3.468 ( 0.304 -3.506 -0.506) 3.555 4.249 ( 2.102 -0.801 0.383) 2.281 4.443 ( -1.145 -2.233 -1.118) 2.747 4.787 ( -0.738 0.147 0.412) 0.858 4.819 ( -0.436 -0.161 0.219) 0.514 4.921 ( 0.764 0.223 -0.923) 1.219 4.991 ( 3.827 1.718 0.061) 4.195 5.007 ( -1.647 0.643 0.009) 1.768 5.214 ( 1.943 -1.812 0.091) 2.659 9.314 ( -0.308 -0.032 0.107) 0.328 9.351 ( 0.189 -0.177 -0.143) 0.296 10.021 ( -0.850 -0.470 -0.524) 1.103 10.078 ( 0.589 0.773 0.298) 1.016 10.415 ( -0.990 -0.521 0.491) 1.222 10.438 ( -0.726 -0.415 -0.332) 0.900 10.608 ( -0.798 -0.017 -1.341) 1.561 10.680 ( 3.649 2.638 1.329) 4.695 ======================= Grid point 16 (11/141) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 3.022 0.159 0.085) 3.027 0.787 ( 4.328 2.141 2.055) 5.248 0.802 ( 2.011 -3.566 0.875) 4.187 0.878 ( -1.630 2.728 -1.533) 3.528 0.952 ( -1.301 1.467 0.519) 2.028 1.020 ( 2.371 3.003 -5.913) 7.043 1.085 ( 1.643 3.375 1.941) 4.226 1.158 ( -0.428 -0.323 -0.302) 0.616 1.202 ( 1.912 -3.560 3.037) 5.054 1.238 ( -0.778 2.278 -0.580) 2.476 1.369 ( -1.662 -0.379 3.852) 4.212 1.451 ( -0.260 -1.423 -2.799) 3.151 1.632 ( -0.413 1.987 -0.515) 2.093 1.860 ( 0.277 2.477 -0.008) 2.493 1.919 ( 0.723 1.222 0.009) 1.420 2.227 ( -3.754 -1.617 -0.498) 4.118 2.256 ( -3.121 -0.520 -0.705) 3.241 2.880 ( -5.802 -3.148 1.415) 6.751 3.315 ( 4.665 1.207 0.287) 4.827 3.516 ( -0.324 -2.095 -0.585) 2.199 4.269 ( 0.848 0.042 0.399) 0.938 4.464 ( -0.653 -1.215 -0.659) 1.529 4.773 ( -2.014 -0.024 -0.088) 2.016 4.827 ( 1.230 -0.181 0.502) 1.341 4.924 ( 0.990 0.225 -0.770) 1.274 4.983 ( 0.356 1.287 0.334) 1.376 4.996 ( 1.236 0.349 -0.134) 1.292 5.244 ( 0.392 -0.491 0.069) 0.632 9.315 ( 0.096 -0.125 0.083) 0.178 9.354 ( 0.020 -0.081 -0.146) 0.168 10.025 ( -0.556 -0.742 -0.375) 1.000 10.067 ( 0.423 0.860 0.237) 0.987 10.417 ( -0.908 -0.477 -0.061) 1.027 10.442 ( 0.134 -0.390 0.193) 0.455 10.599 ( -1.193 -0.031 -1.046) 1.587 10.665 ( 2.284 2.090 0.984) 3.248 ======================= Grid point 17 (12/141) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 0.318 2.319 -0.894) 2.506 0.754 ( 2.573 4.008 0.248) 4.769 0.801 ( -2.178 2.789 -0.366) 3.557 0.892 ( 1.799 -2.018 1.125) 2.929 0.930 ( -1.823 -1.065 -0.529) 2.176 0.994 ( 0.679 0.425 0.675) 1.048 1.049 ( 0.000 1.967 2.300) 3.026 1.131 ( -1.860 1.179 -0.221) 2.214 1.184 ( -1.336 1.797 -3.736) 4.356 1.276 ( 2.509 -1.258 -0.280) 2.821 1.361 ( -2.029 -0.200 1.776) 2.704 1.471 ( 0.089 -0.405 0.932) 1.020 1.619 ( 0.463 -0.205 0.279) 0.578 1.844 ( 0.361 -0.448 0.762) 0.955 1.923 ( 2.328 -0.477 -1.057) 2.601 2.227 ( -3.094 -1.908 -0.391) 3.656 2.303 ( 2.976 -4.517 -1.472) 5.606 2.891 ( -5.103 -3.056 1.124) 6.053 3.315 ( 3.847 2.869 0.048) 4.800 3.534 ( -0.327 -0.330 -0.112) 0.478 4.262 ( -0.321 1.063 -0.102) 1.115 4.474 ( -0.402 -0.547 0.051) 0.680 4.758 ( -2.021 -0.347 -0.287) 2.071 4.844 ( 1.638 -0.202 0.459) 1.713 4.924 ( 0.168 0.437 -0.280) 0.545 4.967 ( 1.154 1.204 0.249) 1.687 5.004 ( 0.778 -0.342 -0.045) 0.851 5.237 ( -1.030 0.963 -0.029) 1.410 9.319 ( 0.440 -0.106 0.021) 0.453 9.353 ( -0.152 0.021 -0.002) 0.154 10.035 ( -0.301 -0.791 -0.147) 0.859 10.058 ( 0.361 0.586 0.175) 0.711 10.417 ( -0.584 -0.300 -0.403) 0.770 10.455 ( 0.744 -0.519 0.431) 1.005 10.585 ( -1.857 0.074 -0.912) 2.070 10.650 ( 1.210 1.449 0.789) 2.046 ======================= Grid point 18 (13/141) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -2.027 4.818 -0.900) 5.304 0.688 ( -0.594 4.156 -1.619) 4.500 0.758 ( 0.582 1.574 0.884) 1.897 0.891 ( -1.804 1.258 1.954) 2.942 0.952 ( -0.727 -1.672 -3.769) 4.187 0.995 ( -1.271 0.642 6.608) 6.760 1.030 ( -0.768 0.760 -0.499) 1.190 1.105 ( -0.747 2.399 0.141) 2.516 1.155 ( -0.546 -2.373 -1.800) 3.028 1.269 ( 0.666 2.431 -2.936) 3.870 1.357 ( -0.531 -0.200 -0.152) 0.587 1.488 ( 0.283 -2.000 2.385) 3.126 1.652 ( 0.153 -3.391 0.749) 3.476 1.887 ( 0.964 -3.423 1.210) 3.756 1.965 ( 2.996 -1.539 -1.667) 3.758 2.242 ( -1.799 -2.328 0.022) 2.942 2.442 ( 6.435 -6.485 -1.309) 9.229 2.902 ( -4.854 -2.787 0.546) 5.624 3.279 ( 2.495 4.304 -0.259) 4.982 3.519 ( -0.034 1.902 0.321) 1.929 4.230 ( -0.899 1.760 -0.278) 1.996 4.479 ( -0.057 -0.222 0.356) 0.423 4.754 ( -1.348 -0.956 -0.213) 1.667 4.860 ( 1.399 -0.029 0.204) 1.415 4.910 ( -1.077 0.538 0.280) 1.236 4.960 ( 2.207 1.278 -0.059) 2.551 5.020 ( 0.199 -0.876 0.091) 0.903 5.196 ( -1.858 2.233 -0.086) 2.906 9.325 ( 0.576 -0.100 -0.055) 0.587 9.351 ( -0.138 0.076 0.143) 0.212 10.046 ( 0.065 -0.518 0.222) 0.567 10.055 ( 0.228 0.025 -0.065) 0.239 10.418 ( -0.212 -0.261 -0.313) 0.459 10.471 ( 0.892 -0.396 0.271) 1.013 10.562 ( -2.516 0.245 -0.907) 2.686 10.639 ( 0.578 0.719 0.679) 1.145 ======================= Grid point 19 (14/141) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -2.750 7.213 -0.514) 7.737 0.587 ( -0.633 6.818 -1.197) 6.951 0.751 ( 1.832 1.192 0.313) 2.207 0.821 ( -4.347 4.419 0.620) 6.230 0.931 ( 0.215 4.940 -0.533) 4.974 0.979 ( -2.411 -0.390 1.109) 2.682 1.007 ( -0.075 4.591 3.802) 5.961 1.038 ( -0.619 -2.308 -3.889) 4.564 1.221 ( 0.311 2.447 -1.616) 2.949 1.238 ( 0.661 -4.740 1.323) 4.965 1.394 ( -0.049 -4.950 -1.379) 5.139 1.544 ( 0.817 -2.890 1.876) 3.541 1.747 ( -0.355 -7.370 0.244) 7.383 1.975 ( 1.140 -5.171 2.053) 5.680 2.010 ( 1.209 -1.912 -2.296) 3.223 2.279 ( 0.169 -2.578 0.153) 2.588 2.613 ( 5.758 -6.690 -0.500) 8.841 2.910 ( -3.729 -2.415 0.047) 4.443 3.204 ( 0.815 5.884 -0.287) 5.947 3.466 ( 0.091 4.313 0.244) 4.321 4.189 ( -0.793 2.020 -0.035) 2.171 4.485 ( 0.557 -0.209 0.341) 0.686 4.771 ( -0.199 -1.721 -0.064) 1.734 4.865 ( 0.077 0.342 0.027) 0.352 4.894 ( -0.863 0.273 0.271) 0.945 4.957 ( 2.037 1.183 -0.221) 2.366 5.033 ( -0.604 -0.499 0.197) 0.808 5.135 ( -1.363 2.770 -0.048) 3.088 9.330 ( 0.232 -0.041 -0.063) 0.244 9.351 ( 0.218 0.051 0.143) 0.266 10.055 ( 0.520 -0.231 0.451) 0.726 10.059 ( -0.095 -0.399 -0.270) 0.491 10.420 ( -0.062 -0.174 -0.125) 0.223 10.483 ( 0.875 -0.135 0.227) 0.914 10.533 ( -2.681 0.297 -0.937) 2.855 10.637 ( 0.264 0.086 0.473) 0.549 ======================= Grid point 20 (15/141) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( -0.000 8.110 -0.000) 8.110 0.433 ( -0.000 10.254 -0.000) 10.254 0.614 ( -0.000 14.288 -0.000) 14.288 0.765 ( -0.000 0.264 -0.000) 0.264 0.846 ( -0.000 3.803 -0.000) 3.803 0.915 ( -0.000 4.714 -0.000) 4.714 0.982 ( 0.000 -0.765 0.000) 0.765 1.126 ( 0.000 -6.222 0.000) 6.222 1.181 ( -0.000 1.849 -0.000) 1.849 1.313 ( 0.000 -2.919 0.000) 2.919 1.501 ( 0.000 -6.165 0.000) 6.165 1.598 ( 0.000 -2.583 0.000) 2.583 1.886 ( 0.000 -7.684 0.000) 7.684 2.050 ( 0.000 -3.380 0.000) 3.380 2.094 ( 0.000 -6.859 0.000) 6.859 2.324 ( 0.000 -2.045 0.000) 2.045 2.747 ( 0.000 -5.237 0.000) 5.237 2.936 ( 0.000 -2.573 0.000) 2.573 3.089 ( -0.000 7.204 -0.000) 7.204 3.374 ( -0.000 6.025 -0.000) 6.025 4.150 ( -0.000 1.826 -0.000) 1.826 4.494 ( 0.000 -0.265 0.000) 0.265 4.808 ( 0.000 -2.278 0.000) 2.278 4.857 ( -0.000 0.030 -0.000) 0.030 4.887 ( -0.000 0.153 -0.000) 0.153 4.948 ( -0.000 1.021 -0.000) 1.021 5.014 ( -0.000 2.278 -0.000) 2.278 5.096 ( -0.000 0.824 -0.000) 0.824 9.332 ( 0.000 -0.082 0.000) 0.082 9.350 ( -0.000 0.212 -0.000) 0.212 10.063 ( 0.000 -0.195 0.000) 0.195 10.065 ( 0.000 -0.386 0.000) 0.386 10.421 ( -0.000 0.004 -0.000) 0.004 10.495 ( 0.000 -0.464 0.000) 0.464 10.506 ( -0.000 0.677 -0.000) 0.677 10.640 ( 0.000 -0.233 0.000) 0.233 ======================= Grid point 23 (16/141) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 9.349 0.000 -0.151) 9.350 0.340 ( 8.702 0.000 2.545) 9.067 0.678 ( 17.549 0.000 4.418) 18.096 0.789 ( 1.046 0.000 -0.051) 1.048 0.817 ( 3.140 0.000 -0.681) 3.213 0.827 ( 3.817 0.000 -1.697) 4.177 1.094 ( 1.603 0.000 -0.492) 1.676 1.118 ( -0.377 -0.000 4.154) 4.171 1.251 ( -2.907 -0.000 1.416) 3.233 1.374 ( 3.536 0.000 -0.423) 3.561 1.493 ( -1.898 -0.000 -5.713) 6.020 1.541 ( -2.521 -0.000 -2.573) 3.602 2.016 ( -2.567 -0.000 1.237) 2.850 2.166 ( -7.543 -0.000 -3.049) 8.135 2.212 ( 0.602 0.000 -0.455) 0.755 2.284 ( -1.930 -0.000 2.591) 3.231 2.580 ( -13.680 -0.000 -0.072) 13.680 2.743 ( -4.816 -0.000 1.032) 4.926 3.125 ( 2.869 0.000 -0.570) 2.926 3.287 ( 3.189 0.000 -0.234) 3.197 4.212 ( 4.702 0.000 -2.619) 5.382 4.281 ( -0.995 -0.000 1.309) 1.645 4.809 ( -2.142 -0.000 1.255) 2.483 4.813 ( 0.227 0.000 -0.560) 0.604 4.943 ( -0.060 -0.000 -1.305) 1.306 5.048 ( 1.073 0.000 0.246) 1.101 5.054 ( 1.866 0.000 0.790) 2.026 5.068 ( 4.684 0.000 -0.822) 4.756 9.332 ( -0.786 -0.000 0.865) 1.169 9.343 ( 0.345 0.000 -0.313) 0.466 10.033 ( -1.585 -0.000 -0.574) 1.686 10.091 ( 0.755 0.000 0.620) 0.976 10.381 ( -1.043 -0.000 0.556) 1.182 10.424 ( -0.036 -0.000 -0.573) 0.574 10.619 ( -0.768 -0.000 -2.065) 2.203 10.790 ( 2.178 0.000 1.688) 2.756 ======================= Grid point 24 (17/141) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 7.451 -5.793 0.204) 9.440 0.464 ( 7.338 -4.693 2.524) 9.069 0.812 ( 4.347 -0.467 -1.711) 4.695 0.827 ( 4.249 -2.630 0.369) 5.011 0.869 ( 7.345 -3.601 -0.859) 8.225 0.903 ( 7.268 -2.072 3.488) 8.323 1.115 ( 1.141 -0.521 0.996) 1.601 1.134 ( 0.541 -1.152 3.696) 3.909 1.209 ( -1.457 2.297 1.847) 3.288 1.377 ( 3.537 3.068 -3.152) 5.644 1.456 ( -3.485 0.891 -4.390) 5.675 1.510 ( -1.161 1.248 -0.232) 1.720 1.949 ( -7.254 3.489 0.290) 8.055 2.092 ( -4.899 1.281 -1.500) 5.281 2.142 ( 0.373 6.943 -2.451) 7.372 2.227 ( -2.946 3.958 3.266) 5.917 2.453 ( -12.054 1.785 -0.741) 12.208 2.735 ( -5.873 -3.384 1.109) 6.868 3.179 ( 2.862 -3.327 -0.623) 4.433 3.342 ( 2.582 -2.982 0.152) 3.947 4.234 ( 3.477 0.460 -0.514) 3.545 4.324 ( -0.373 -3.852 -0.365) 3.887 4.794 ( -1.452 0.134 1.089) 1.820 4.817 ( 0.624 0.024 -0.358) 0.720 4.935 ( 0.175 0.525 -1.172) 1.296 5.024 ( -2.345 0.515 -0.125) 2.404 5.068 ( 4.812 1.917 0.432) 5.198 5.137 ( 3.638 -2.218 -0.070) 4.261 9.321 ( -0.665 0.445 0.644) 1.027 9.346 ( 0.270 -0.098 -0.296) 0.413 10.016 ( -1.381 0.183 -0.587) 1.512 10.096 ( 0.727 0.236 0.517) 0.923 10.384 ( -1.619 -1.116 0.638) 2.067 10.424 ( -0.095 -0.180 -0.560) 0.596 10.610 ( -0.609 0.031 -1.898) 1.994 10.787 ( 3.097 2.614 1.488) 4.317 ======================= Grid point 25 (18/141) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 5.525 -4.544 -1.212) 7.256 0.611 ( 5.797 -4.959 3.955) 8.593 0.836 ( 1.163 -0.623 -2.681) 2.988 0.913 ( 4.247 -2.175 -0.414) 4.790 0.965 ( 3.267 -3.039 -0.038) 4.462 1.034 ( 7.851 -2.694 1.370) 8.413 1.099 ( -1.788 2.188 3.982) 4.883 1.176 ( 1.648 -0.928 4.321) 4.717 1.188 ( 2.579 0.628 2.461) 3.620 1.317 ( 3.290 5.531 -7.146) 9.616 1.400 ( -4.619 -0.051 -5.053) 6.846 1.473 ( -0.135 3.202 4.272) 5.341 1.796 ( -6.493 6.034 -0.436) 8.874 2.014 ( -3.242 4.790 -2.573) 6.331 2.028 ( 2.463 5.253 0.086) 5.802 2.150 ( -6.285 0.047 1.732) 6.519 2.320 ( -9.217 2.606 -1.385) 9.678 2.751 ( -6.276 -3.905 1.596) 7.562 3.271 ( 3.185 -3.943 -0.530) 5.096 3.416 ( 1.472 -3.060 0.244) 3.405 4.259 ( 2.514 -0.308 0.334) 2.554 4.383 ( -0.460 -3.240 -1.143) 3.467 4.779 ( -1.729 0.251 0.735) 1.896 4.825 ( 1.609 0.050 0.022) 1.610 4.929 ( 0.415 0.251 -1.041) 1.149 4.996 ( -2.287 0.323 -0.080) 2.311 5.069 ( 4.378 2.454 0.321) 5.029 5.198 ( 2.135 -1.902 0.006) 2.859 9.312 ( -0.379 0.128 0.364) 0.541 9.350 ( 0.239 -0.150 -0.281) 0.398 10.006 ( -1.003 -0.277 -0.518) 1.162 10.095 ( 0.588 0.574 0.317) 0.881 10.390 ( -1.631 -1.024 0.496) 1.989 10.427 ( -0.187 -0.358 -0.355) 0.538 10.601 ( -0.532 0.084 -1.452) 1.549 10.764 ( 3.075 3.156 1.215) 4.571 ======================= Grid point 26 (19/141) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 5.002 -0.916 -0.368) 5.099 0.738 ( 3.337 -4.528 2.434) 6.129 0.845 ( 0.734 0.254 -1.260) 1.480 0.930 ( 2.241 3.063 -0.349) 3.811 1.006 ( 0.554 4.229 2.272) 4.833 1.065 ( 2.259 -2.543 -1.224) 3.615 1.132 ( -1.600 -0.942 -1.559) 2.424 1.164 ( 3.054 0.238 2.217) 3.781 1.184 ( 2.521 5.015 -0.697) 5.656 1.280 ( 2.293 0.635 0.250) 2.393 1.377 ( -2.283 1.463 0.919) 2.863 1.409 ( -2.043 0.224 0.431) 2.099 1.674 ( -1.300 3.385 -0.537) 3.665 1.919 ( -0.740 3.599 -1.212) 3.869 1.968 ( 1.988 3.622 0.290) 4.142 2.127 ( -6.837 -3.366 0.385) 7.630 2.222 ( -5.576 0.460 -2.055) 5.961 2.771 ( -5.448 -3.664 2.027) 6.872 3.355 ( 3.936 -1.874 -0.059) 4.360 3.468 ( -0.140 -2.371 -0.267) 2.390 4.280 ( 1.318 0.001 0.534) 1.422 4.425 ( -0.454 -2.301 -1.089) 2.586 4.759 ( -1.726 0.334 0.274) 1.779 4.840 ( 1.926 0.035 0.264) 1.944 4.929 ( 0.212 -0.020 -0.734) 0.764 4.977 ( -1.564 -0.095 -0.057) 1.568 5.058 ( 3.638 2.671 0.217) 4.518 5.236 ( 0.651 -1.003 0.043) 1.197 9.312 ( -0.032 -0.238 0.190) 0.307 9.353 ( 0.141 -0.063 -0.243) 0.288 10.007 ( -0.648 -0.686 -0.378) 1.016 10.087 ( 0.388 0.870 0.168) 0.967 10.396 ( -1.148 -0.908 0.141) 1.470 10.434 ( -0.015 -0.569 0.033) 0.570 10.592 ( -0.651 0.236 -0.997) 1.214 10.733 ( 2.181 3.115 0.863) 3.900 ======================= Grid point 27 (20/141) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 3.349 2.953 -0.266) 4.473 0.828 ( -0.094 2.173 0.290) 2.194 0.837 ( 0.810 -4.334 0.656) 4.458 0.866 ( 1.380 4.922 -0.248) 5.118 0.937 ( -1.224 2.537 1.557) 3.219 1.047 ( 3.105 3.868 -3.382) 6.004 1.105 ( 0.192 4.197 0.931) 4.303 1.140 ( -0.299 -0.200 -1.506) 1.549 1.214 ( -2.502 4.732 -0.067) 5.353 1.246 ( 1.957 -4.226 1.422) 4.869 1.340 ( -2.403 0.035 2.811) 3.698 1.450 ( 0.523 -2.618 -0.511) 2.718 1.639 ( 1.290 1.343 -0.156) 1.869 1.863 ( -0.251 2.283 0.325) 2.320 1.944 ( 2.332 0.916 -0.779) 2.624 2.137 ( -5.918 -3.555 -0.055) 6.904 2.230 ( 0.035 -4.706 -1.928) 5.085 2.793 ( -4.414 -3.210 1.674) 5.709 3.392 ( 3.958 1.534 0.362) 4.260 3.503 ( -1.004 -2.328 -0.554) 2.595 4.279 ( 0.238 0.899 0.213) 0.954 4.453 ( -0.372 -1.393 -0.397) 1.495 4.741 ( -1.464 0.176 -0.066) 1.476 4.857 ( 1.991 -0.075 0.234) 2.007 4.925 ( -0.997 0.175 -0.123) 1.020 4.977 ( 0.067 -0.613 -0.235) 0.660 5.039 ( 2.497 2.381 0.158) 3.453 5.243 ( -0.467 0.317 0.018) 0.564 9.319 ( 0.266 -0.349 0.103) 0.450 9.353 ( -0.052 0.068 -0.145) 0.168 10.017 ( -0.347 -0.911 -0.211) 0.997 10.074 ( 0.252 0.862 0.120) 0.906 10.402 ( -0.647 -0.687 -0.160) 0.957 10.447 ( 0.306 -0.820 0.277) 0.918 10.578 ( -0.867 0.502 -0.656) 1.197 10.697 ( 1.162 2.614 0.551) 2.913 ======================= Grid point 28 (21/141) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.188 5.076 -0.493) 5.104 0.764 ( -0.775 4.329 -0.543) 4.432 0.804 ( 1.479 2.939 0.287) 3.303 0.907 ( -0.600 -1.974 0.027) 2.064 0.909 ( 0.079 0.428 0.637) 0.772 1.021 ( 1.751 1.907 1.073) 2.802 1.048 ( -0.518 1.992 1.044) 2.308 1.097 ( -1.788 0.663 -0.517) 1.976 1.156 ( -0.616 1.599 -2.080) 2.695 1.302 ( 0.763 1.026 -1.645) 2.084 1.342 ( -0.782 -2.367 2.271) 3.373 1.471 ( -0.214 -0.073 0.538) 0.584 1.633 ( 0.664 0.305 0.280) 0.782 1.850 ( 0.120 -1.113 0.355) 1.174 1.966 ( 2.324 -0.753 -0.897) 2.603 2.163 ( -3.106 -3.996 0.074) 5.062 2.354 ( 2.490 -7.550 -1.073) 8.022 2.815 ( -3.157 -2.788 0.766) 4.281 3.371 ( 2.039 3.636 0.103) 4.170 3.527 ( -0.299 -0.877 -0.097) 0.931 4.256 ( -0.213 1.664 -0.079) 1.680 4.468 ( -0.234 -0.740 0.058) 0.779 4.732 ( -0.851 -0.359 -0.108) 0.930 4.875 ( 1.819 0.036 -0.014) 1.820 4.908 ( -1.524 0.365 0.274) 1.591 4.993 ( 1.116 -0.517 -0.336) 1.275 5.018 ( 0.661 1.528 0.237) 1.681 5.219 ( -0.806 1.644 -0.023) 1.831 9.327 ( 0.351 -0.242 0.014) 0.427 9.350 ( -0.169 0.053 -0.002) 0.177 10.031 ( -0.141 -0.920 -0.067) 0.933 10.063 ( 0.191 0.516 0.088) 0.557 10.409 ( -0.230 -0.502 -0.166) 0.577 10.465 ( 0.344 -0.783 0.190) 0.876 10.558 ( -0.849 0.822 -0.385) 1.243 10.665 ( 0.417 1.741 0.297) 1.815 ======================= Grid point 29 (22/141) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -0.000 5.922 -0.000) 5.922 0.680 ( -0.000 4.681 -0.000) 4.681 0.775 ( -0.000 1.372 -0.000) 1.372 0.871 ( -0.000 3.038 -0.000) 3.038 0.938 ( 0.000 -1.903 0.000) 1.903 0.998 ( -0.000 1.878 -0.000) 1.878 1.016 ( -0.000 1.088 -0.000) 1.088 1.104 ( -0.000 4.002 -0.000) 4.002 1.147 ( 0.000 -5.268 0.000) 5.268 1.269 ( -0.000 2.432 -0.000) 2.432 1.352 ( -0.000 0.237 -0.000) 0.237 1.495 ( 0.000 -2.824 0.000) 2.824 1.655 ( 0.000 -2.986 0.000) 2.986 1.898 ( 0.000 -3.908 0.000) 3.908 1.992 ( 0.000 -1.102 0.000) 1.102 2.222 ( 0.000 -3.754 0.000) 3.754 2.506 ( 0.000 -8.005 0.000) 8.005 2.847 ( 0.000 -2.573 0.000) 2.573 3.304 ( -0.000 4.898 -0.000) 4.898 3.520 ( -0.000 1.717 -0.000) 1.717 4.222 ( -0.000 2.032 -0.000) 2.032 4.478 ( 0.000 -0.555 0.000) 0.555 4.742 ( 0.000 -1.204 0.000) 1.204 4.879 ( -0.000 0.669 -0.000) 0.669 4.894 ( -0.000 0.247 -0.000) 0.247 4.990 ( -0.000 1.519 -0.000) 1.519 5.016 ( 0.000 -1.004 0.000) 1.004 5.177 ( -0.000 2.566 -0.000) 2.566 9.331 ( 0.000 -0.041 0.000) 0.041 9.350 ( 0.000 -0.107 0.000) 0.107 10.045 ( 0.000 -0.771 0.000) 0.771 10.059 ( -0.000 0.107 -0.000) 0.107 10.415 ( 0.000 -0.360 0.000) 0.360 10.479 ( 0.000 -0.551 0.000) 0.551 10.537 ( -0.000 0.999 -0.000) 0.999 10.645 ( -0.000 0.781 -0.000) 0.781 ======================= Grid point 34 (23/141) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 8.796 0.000 0.567) 8.814 0.485 ( 7.504 0.000 2.134) 7.801 0.808 ( 1.120 0.000 0.006) 1.120 0.816 ( 0.089 0.000 -5.572) 5.573 0.954 ( 7.794 0.000 4.907) 9.210 0.957 ( 13.582 0.000 3.693) 14.075 1.117 ( 0.801 0.000 0.261) 0.842 1.134 ( 1.181 0.000 3.346) 3.549 1.219 ( -0.752 -0.000 0.620) 0.974 1.425 ( -0.824 -0.000 -4.938) 5.006 1.454 ( 2.484 0.000 1.389) 2.846 1.507 ( -0.605 -0.000 -1.957) 2.048 1.920 ( -8.278 -0.000 0.876) 8.324 2.006 ( -9.524 -0.000 -3.864) 10.278 2.232 ( -7.459 -0.000 1.726) 7.656 2.244 ( 2.773 0.000 -0.683) 2.856 2.376 ( -7.964 -0.000 0.428) 7.976 2.660 ( -5.119 -0.000 0.027) 5.119 3.163 ( 1.913 0.000 -0.588) 2.002 3.334 ( 2.320 0.000 0.069) 2.321 4.279 ( 0.236 0.000 1.453) 1.472 4.281 ( 4.024 0.000 -1.542) 4.310 4.784 ( -1.274 -0.000 1.000) 1.620 4.826 ( 1.432 0.000 -0.473) 1.508 4.938 ( -0.055 -0.000 -1.131) 1.132 5.006 ( -2.928 -0.000 -0.011) 2.928 5.135 ( 4.055 0.000 0.895) 4.153 5.137 ( 3.606 0.000 -0.575) 3.652 9.320 ( -0.882 -0.000 0.819) 1.204 9.346 ( 0.200 0.000 -0.544) 0.579 10.004 ( -1.521 -0.000 -0.596) 1.634 10.104 ( 0.616 0.000 0.554) 0.829 10.363 ( -1.257 -0.000 0.459) 1.338 10.421 ( -0.096 -0.000 -0.424) 0.435 10.603 ( -0.390 -0.000 -1.721) 1.764 10.834 ( 2.250 0.000 1.180) 2.541 ======================= Grid point 35 (24/141) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 6.514 -3.268 0.045) 7.288 0.589 ( 6.372 -4.193 2.546) 8.041 0.814 ( -0.400 -1.139 -3.842) 4.027 0.858 ( 1.153 -4.162 -0.936) 4.419 1.010 ( 6.052 1.163 4.188) 7.451 1.072 ( 7.066 -0.785 2.155) 7.429 1.125 ( 1.086 0.242 2.159) 2.429 1.173 ( 3.252 -1.505 3.747) 5.184 1.220 ( 2.250 -0.259 -0.259) 2.280 1.370 ( -4.123 2.401 -3.516) 5.927 1.436 ( 3.240 4.575 -3.140) 6.426 1.518 ( 1.973 0.367 2.078) 2.889 1.817 ( -7.445 3.272 -0.444) 8.144 1.944 ( -9.619 -2.211 -2.667) 10.224 2.120 ( -6.528 3.403 -0.709) 7.396 2.208 ( 0.825 6.017 2.128) 6.435 2.298 ( -4.650 3.269 -0.930) 5.760 2.645 ( -4.968 -2.850 0.243) 5.733 3.214 ( 1.616 -3.892 -0.555) 4.251 3.379 ( 1.642 -2.702 0.270) 3.173 4.279 ( 1.730 0.273 0.723) 1.895 4.334 ( 1.571 -2.270 -0.827) 2.882 4.773 ( -1.082 0.327 0.731) 1.346 4.841 ( 1.970 -0.086 -0.261) 1.989 4.934 ( 0.012 0.257 -0.929) 0.964 4.979 ( -2.812 0.131 0.011) 2.815 5.141 ( 3.634 1.707 0.269) 4.024 5.186 ( 2.136 -1.389 0.008) 2.548 9.312 ( -0.622 0.198 0.571) 0.867 9.348 ( 0.149 -0.158 -0.471) 0.519 9.993 ( -1.129 -0.134 -0.490) 1.238 10.108 ( 0.462 0.268 0.362) 0.645 10.361 ( -1.246 -0.804 0.374) 1.530 10.421 ( -0.114 -0.134 -0.337) 0.380 10.597 ( -0.248 0.065 -1.271) 1.297 10.835 ( 2.086 2.000 0.949) 3.042 ======================= Grid point 36 (25/141) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 3.244 -3.479 -0.200) 4.761 0.720 ( 5.479 -3.830 2.226) 7.046 0.830 ( -0.498 -1.767 -2.387) 3.011 0.961 ( 2.305 -5.186 -2.254) 6.106 1.017 ( 0.852 1.458 3.072) 3.505 1.077 ( -1.663 2.767 2.377) 4.010 1.139 ( 4.769 1.343 0.762) 5.012 1.237 ( 1.427 3.082 1.107) 3.572 1.246 ( 3.920 -1.255 5.016) 6.488 1.313 ( -2.376 -2.967 -4.367) 5.790 1.359 ( 3.422 6.141 -5.603) 8.990 1.484 ( -0.949 5.674 4.842) 7.519 1.713 ( -2.371 2.692 -1.261) 3.802 1.905 ( -7.402 -1.974 -1.880) 7.888 2.045 ( -2.393 0.190 -1.015) 2.606 2.093 ( 0.569 7.108 2.423) 7.531 2.192 ( -4.971 3.207 -1.847) 6.197 2.670 ( -3.687 -3.853 1.071) 5.440 3.308 ( 1.472 -5.066 -0.464) 5.296 3.437 ( 0.828 -2.180 0.274) 2.348 4.291 ( 1.103 -0.016 0.533) 1.225 4.382 ( 0.524 -2.279 -0.872) 2.496 4.757 ( -0.930 0.597 0.407) 1.178 4.859 ( 2.237 0.040 0.025) 2.238 4.927 ( -0.644 0.143 -0.577) 0.876 4.960 ( -1.640 -0.291 -0.062) 1.667 5.133 ( 2.937 2.489 0.230) 3.857 5.221 ( 0.665 -1.239 -0.023) 1.406 9.308 ( -0.235 -0.107 0.280) 0.381 9.352 ( 0.135 -0.182 -0.298) 0.374 9.990 ( -0.648 -0.519 -0.320) 0.890 10.103 ( 0.286 0.630 0.148) 0.707 10.369 ( -0.905 -1.071 0.226) 1.420 10.424 ( -0.100 -0.398 -0.135) 0.432 10.591 ( -0.246 0.234 -0.781) 0.851 10.806 ( 1.540 3.081 0.637) 3.503 ======================= Grid point 37 (26/141) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 1.472 -2.343 -0.309) 2.784 0.794 ( 1.501 -1.128 0.274) 1.897 0.868 ( 3.412 -0.825 0.872) 3.617 0.950 ( 0.440 4.133 -0.240) 4.163 0.977 ( -4.386 5.068 0.133) 6.704 1.095 ( 0.906 -5.470 -0.368) 5.556 1.132 ( 1.802 3.112 0.171) 3.600 1.196 ( 0.392 0.997 0.857) 1.372 1.232 ( 3.228 5.786 -2.014) 6.925 1.300 ( 0.187 4.822 -2.216) 5.310 1.339 ( -3.395 2.725 5.315) 6.870 1.393 ( 0.491 -3.509 -0.661) 3.604 1.677 ( 1.083 1.596 -0.353) 1.961 1.888 ( -1.968 -0.286 -0.829) 2.155 2.001 ( 1.132 3.821 0.586) 4.028 2.044 ( -2.269 -0.871 0.073) 2.431 2.141 ( -2.783 -3.130 -1.452) 4.433 2.713 ( -1.966 -3.356 1.014) 4.020 3.404 ( 1.824 -4.133 -0.087) 4.518 3.461 ( -0.512 -0.423 -0.050) 0.666 4.295 ( 0.318 0.469 0.233) 0.613 4.421 ( 0.038 -1.980 -0.437) 2.029 4.740 ( -0.621 0.636 0.097) 0.894 4.876 ( 2.076 0.162 0.106) 2.085 4.915 ( -1.639 0.035 -0.150) 1.647 4.963 ( -0.159 -0.794 -0.143) 0.822 5.105 ( 1.636 2.864 0.108) 3.300 5.239 ( -0.080 -0.483 -0.000) 0.489 9.312 ( 0.012 -0.447 0.098) 0.458 9.354 ( 0.055 0.017 -0.131) 0.143 9.998 ( -0.257 -0.838 -0.141) 0.888 10.091 ( 0.127 0.901 0.046) 0.911 10.382 ( -0.411 -1.004 0.031) 1.085 10.434 ( 0.022 -0.809 0.048) 0.811 10.582 ( -0.253 0.497 -0.361) 0.665 10.759 ( 0.719 3.322 0.301) 3.412 ======================= Grid point 38 (27/141) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -0.000 4.068 -0.000) 4.068 0.820 ( -0.000 1.658 -0.000) 1.658 0.853 ( 0.000 -0.307 0.000) 0.307 0.879 ( -0.000 4.060 -0.000) 4.060 0.918 ( 0.000 -0.255 0.000) 0.255 1.083 ( -0.000 2.877 -0.000) 2.877 1.115 ( -0.000 5.159 -0.000) 5.159 1.140 ( -0.000 5.190 -0.000) 5.190 1.169 ( -0.000 1.243 -0.000) 1.243 1.266 ( 0.000 -4.652 0.000) 4.652 1.323 ( -0.000 0.656 -0.000) 0.656 1.455 ( 0.000 -2.317 0.000) 2.317 1.655 ( -0.000 1.451 -0.000) 1.451 1.859 ( -0.000 1.868 -0.000) 1.868 1.975 ( -0.000 0.790 -0.000) 0.790 2.070 ( 0.000 -4.225 0.000) 4.225 2.230 ( 0.000 -6.994 0.000) 6.994 2.757 ( 0.000 -2.664 0.000) 2.664 3.434 ( -0.000 2.348 -0.000) 2.348 3.487 ( 0.000 -3.363 0.000) 3.363 4.281 ( -0.000 1.192 -0.000) 1.192 4.449 ( 0.000 -1.334 0.000) 1.334 4.728 ( -0.000 0.309 -0.000) 0.309 4.886 ( 0.000 -0.019 0.000) 0.019 4.903 ( -0.000 0.166 -0.000) 0.166 4.979 ( 0.000 -1.018 0.000) 1.018 5.063 ( -0.000 2.656 -0.000) 2.656 5.237 ( -0.000 0.660 -0.000) 0.660 9.321 ( 0.000 -0.502 0.000) 0.502 9.352 ( -0.000 0.175 -0.000) 0.175 10.013 ( 0.000 -0.973 0.000) 0.973 10.076 ( -0.000 0.836 -0.000) 0.836 10.396 ( 0.000 -0.755 0.000) 0.755 10.451 ( 0.000 -0.996 0.000) 0.996 10.569 ( -0.000 0.766 -0.000) 0.766 10.708 ( -0.000 2.773 -0.000) 2.773 ======================= Grid point 45 (28/141) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 5.814 0.000 0.622) 5.847 0.600 ( 5.207 0.000 1.843) 5.524 0.790 ( -1.283 -0.000 -3.894) 4.100 0.824 ( 0.739 0.000 0.048) 0.740 1.071 ( 2.535 0.000 3.258) 4.128 1.124 ( 4.905 0.000 1.842) 5.239 1.134 ( 2.411 0.000 1.183) 2.685 1.201 ( 5.244 0.000 2.416) 5.774 1.235 ( 1.944 0.000 -0.011) 1.944 1.362 ( -3.468 -0.000 -1.024) 3.616 1.505 ( 0.890 0.000 -1.421) 1.677 1.545 ( 6.663 0.000 0.005) 6.663 1.782 ( -7.339 -0.000 0.746) 7.377 1.837 ( -8.921 -0.000 -3.434) 9.559 2.059 ( -10.142 -0.000 0.296) 10.146 2.283 ( 1.797 0.000 -0.544) 1.878 2.321 ( -1.121 -0.000 0.867) 1.417 2.579 ( -3.948 -0.000 -0.539) 3.985 3.186 ( 0.969 0.000 -0.359) 1.033 3.363 ( 1.106 0.000 0.123) 1.113 4.292 ( 0.689 0.000 0.977) 1.195 4.332 ( 2.315 0.000 -0.698) 2.418 4.771 ( -0.627 -0.000 0.531) 0.821 4.856 ( 2.227 0.000 -0.388) 2.261 4.935 ( -0.021 -0.000 -0.666) 0.667 4.955 ( -3.043 -0.000 0.108) 3.045 5.183 ( 1.949 0.000 -0.299) 1.972 5.190 ( 2.161 0.000 0.495) 2.217 9.309 ( -0.598 -0.000 0.479) 0.766 9.346 ( 0.060 0.000 -0.446) 0.450 9.982 ( -0.909 -0.000 -0.378) 0.985 10.114 ( 0.301 0.000 0.292) 0.419 10.345 ( -0.853 -0.000 0.228) 0.883 10.419 ( -0.067 -0.000 -0.260) 0.269 10.595 ( -0.079 -0.000 -0.874) 0.877 10.868 ( 1.387 0.000 0.662) 1.537 ======================= Grid point 46 (29/141) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 2.715 -1.686 0.078) 3.197 0.685 ( 3.706 -4.632 1.865) 6.218 0.783 ( -1.672 -1.172 -2.481) 3.213 0.871 ( 0.518 -4.570 -0.231) 4.605 1.067 ( 0.122 1.841 1.456) 2.351 1.129 ( 2.568 2.330 1.821) 3.917 1.190 ( 2.940 -1.136 0.168) 3.157 1.241 ( 0.231 -0.742 0.623) 0.996 1.254 ( 1.396 -1.021 -0.432) 1.782 1.310 ( -0.570 2.964 0.951) 3.165 1.473 ( 1.898 4.085 -2.073) 4.958 1.580 ( 3.635 3.410 1.794) 5.297 1.721 ( -2.733 1.011 -1.130) 3.125 1.786 ( -7.357 -2.807 -0.990) 7.936 1.998 ( -4.917 -0.934 -0.366) 5.019 2.234 ( 1.058 6.234 1.255) 6.446 2.258 ( -0.929 5.697 -0.991) 5.857 2.581 ( -2.153 -3.135 -0.085) 3.804 3.231 ( 0.531 -4.073 -0.210) 4.113 3.398 ( 0.521 -2.642 0.118) 2.696 4.299 ( 0.498 -0.013 0.431) 0.659 4.357 ( 0.917 -1.169 -0.374) 1.532 4.763 ( -0.347 0.493 0.260) 0.656 4.877 ( 2.354 -0.184 -0.208) 2.371 4.922 ( -1.838 0.508 -0.102) 1.910 4.941 ( -0.825 -0.493 -0.131) 0.970 5.188 ( 1.702 1.348 0.104) 2.174 5.207 ( 0.317 -0.772 0.000) 0.834 9.305 ( -0.260 0.017 0.218) 0.340 9.348 ( 0.041 -0.221 -0.225) 0.318 9.978 ( -0.434 -0.289 -0.191) 0.555 10.113 ( 0.144 0.289 0.118) 0.344 10.347 ( -0.466 -0.745 0.122) 0.887 10.419 ( -0.050 -0.110 -0.123) 0.173 10.593 ( -0.044 0.131 -0.420) 0.442 10.861 ( 0.752 1.877 0.339) 2.050 ======================= Grid point 47 (30/141) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.000 -2.652 0.000) 2.652 0.788 ( 0.000 -0.913 0.000) 0.913 0.809 ( 0.000 -6.025 0.000) 6.025 0.979 ( 0.000 -7.041 0.000) 7.041 1.020 ( -0.000 3.456 -0.000) 3.456 1.066 ( -0.000 5.717 -0.000) 5.717 1.199 ( -0.000 2.850 -0.000) 2.850 1.221 ( -0.000 1.448 -0.000) 1.448 1.285 ( 0.000 -1.150 0.000) 1.150 1.311 ( 0.000 -3.139 0.000) 3.139 1.391 ( -0.000 5.870 -0.000) 5.870 1.471 ( -0.000 8.847 -0.000) 8.847 1.705 ( -0.000 0.964 -0.000) 0.964 1.818 ( 0.000 -4.306 0.000) 4.306 2.011 ( 0.000 -2.173 0.000) 2.173 2.122 ( -0.000 6.825 -0.000) 6.825 2.137 ( -0.000 5.475 -0.000) 5.475 2.640 ( 0.000 -4.076 0.000) 4.076 3.320 ( 0.000 -5.428 0.000) 5.428 3.444 ( 0.000 -1.927 0.000) 1.927 4.301 ( -0.000 0.088 -0.000) 0.088 4.386 ( 0.000 -1.831 0.000) 1.831 4.750 ( -0.000 0.750 -0.000) 0.750 4.897 ( -0.000 0.636 -0.000) 0.636 4.899 ( 0.000 -0.377 0.000) 0.377 4.949 ( 0.000 -0.684 0.000) 0.684 5.160 ( -0.000 2.500 -0.000) 2.500 5.225 ( 0.000 -1.031 0.000) 1.031 9.306 ( 0.000 -0.224 0.000) 0.224 9.352 ( 0.000 -0.205 0.000) 0.205 9.984 ( 0.000 -0.612 0.000) 0.612 10.106 ( -0.000 0.648 -0.000) 0.648 10.362 ( 0.000 -1.090 0.000) 1.090 10.423 ( 0.000 -0.437 0.000) 0.437 10.588 ( -0.000 0.320 -0.000) 0.320 10.820 ( -0.000 3.088 -0.000) 3.088 ======================= Grid point 58 (31/141) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 0.000 0.000 -0.000) 0.000 0.655 ( 0.000 0.000 0.000) 0.000 0.765 ( 0.000 0.000 -0.000) 0.000 0.831 ( 0.000 0.000 -0.000) 0.000 1.084 ( 0.000 0.000 -0.000) 0.000 1.172 ( 0.000 0.000 0.000) 0.000 1.178 ( 0.000 0.000 -0.000) 0.000 1.238 ( 0.000 0.000 0.000) 0.000 1.257 ( 0.000 0.000 0.000) 0.000 1.336 ( 0.000 0.000 -0.000) 0.000 1.515 ( 0.000 0.000 0.000) 0.000 1.652 ( -0.000 -0.000 0.000) 0.000 1.708 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 -0.000) 0.000 1.964 ( 0.000 0.000 -0.000) 0.000 2.297 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 -0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 -0.000) 0.000 4.351 ( 0.000 0.000 -0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.888 ( 0.000 0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 -0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 9.304 ( 0.000 0.000 -0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 9.973 ( 0.000 0.000 -0.000) 0.000 10.117 ( 0.000 0.000 0.000) 0.000 10.338 ( 0.000 0.000 0.000) 0.000 10.418 ( 0.000 0.000 0.000) 0.000 10.593 ( 0.000 0.000 -0.000) 0.000 10.882 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/141) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.177 ( 6.240 0.000 8.455) 10.508 0.263 ( -0.024 -0.000 12.158) 12.158 0.394 ( -2.719 -0.000 18.056) 18.259 0.663 ( 0.557 0.000 -5.975) 6.001 0.750 ( 0.173 0.000 -1.940) 1.948 0.854 ( -3.302 -0.000 3.233) 4.621 1.018 ( 5.650 0.000 -1.188) 5.773 1.072 ( -0.534 -0.000 0.571) 0.781 1.255 ( 1.564 0.000 -5.579) 5.794 1.274 ( 0.318 0.000 -3.629) 3.643 1.603 ( -1.989 -0.000 -1.607) 2.557 1.613 ( -7.915 -0.000 -0.409) 7.926 2.042 ( -0.050 -0.000 4.172) 4.172 2.221 ( 0.851 0.000 0.354) 0.921 2.243 ( -0.024 -0.000 -1.181) 1.181 2.332 ( 0.219 0.000 -2.637) 2.646 2.869 ( 1.168 0.000 1.902) 2.232 2.947 ( -4.528 -0.000 3.459) 5.698 3.004 ( 4.568 0.000 -0.258) 4.576 3.194 ( -0.537 -0.000 -1.561) 1.651 4.302 ( -9.158 -0.000 -0.082) 9.159 4.308 ( 1.138 0.000 -0.244) 1.164 4.857 ( -3.497 -0.000 -0.560) 3.541 4.885 ( 2.246 0.000 -0.521) 2.305 4.896 ( 1.754 0.000 0.626) 1.862 4.896 ( 3.260 0.000 0.829) 3.363 4.955 ( -3.669 -0.000 0.684) 3.732 5.076 ( 0.290 0.000 -1.673) 1.698 9.336 ( -0.070 -0.000 0.131) 0.149 9.343 ( 0.145 0.000 -0.017) 0.146 10.061 ( -1.185 -0.000 -0.529) 1.298 10.063 ( 0.693 0.000 -0.706) 0.990 10.416 ( 0.169 0.000 1.684) 1.692 10.464 ( -3.214 -0.000 0.828) 3.319 10.606 ( 8.579 0.000 -0.480) 8.592 10.637 ( -1.751 -0.000 -0.868) 1.955 ======================= Grid point 106 (33/141) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( 3.538 -1.739 8.233) 9.128 0.308 ( 9.403 -4.407 5.900) 11.943 0.582 ( 1.217 -11.961 13.274) 17.910 0.680 ( 1.411 -1.890 -6.721) 7.123 0.772 ( 0.466 -2.192 -2.843) 3.620 0.850 ( -1.441 -1.090 2.643) 3.201 1.024 ( 3.186 2.371 0.338) 3.986 1.117 ( 4.708 -1.656 -3.542) 6.120 1.200 ( 1.983 3.926 -3.745) 5.777 1.299 ( 0.256 -0.298 -3.735) 3.755 1.544 ( -5.377 0.041 0.625) 5.413 1.582 ( -5.245 -0.066 -0.629) 5.283 2.015 ( 0.057 4.026 2.970) 5.004 2.166 ( -0.213 5.950 1.482) 6.135 2.192 ( -0.112 4.795 -0.447) 4.817 2.313 ( -1.315 1.048 -2.734) 3.210 2.816 ( -6.191 3.761 1.354) 7.369 2.942 ( -3.107 -2.402 1.175) 4.099 3.052 ( 4.987 -1.378 1.962) 5.534 3.248 ( 1.248 -5.001 -1.967) 5.517 4.195 ( -3.071 1.185 3.923) 5.121 4.379 ( -2.591 -4.111 -3.116) 5.772 4.818 ( -2.240 0.982 -0.273) 2.461 4.889 ( 2.570 1.477 0.264) 2.976 4.904 ( 1.590 -0.040 0.693) 1.735 4.934 ( -3.149 -0.654 0.363) 3.237 4.971 ( 4.386 -2.522 -0.319) 5.069 5.073 ( -0.094 -0.054 -1.524) 1.528 9.336 ( -0.582 -0.062 0.116) 0.596 9.346 ( 0.149 -0.169 0.160) 0.276 10.047 ( -1.472 0.065 -0.688) 1.626 10.071 ( 0.703 -0.057 -0.387) 0.805 10.424 ( 0.092 -0.302 0.983) 1.032 10.457 ( -1.208 -0.762 1.106) 1.807 10.619 ( -1.683 0.123 -1.516) 2.269 10.630 ( 7.030 3.628 0.109) 7.911 ======================= Grid point 107 (34/141) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 5.089 -6.545 2.099) 8.553 0.480 ( 6.787 -6.286 2.710) 9.640 0.718 ( 1.907 -2.298 -5.313) 6.094 0.776 ( 3.020 -2.940 1.349) 4.425 0.813 ( 0.156 -2.689 -1.752) 3.213 0.897 ( 1.404 -5.474 4.698) 7.349 1.019 ( 3.517 1.352 0.397) 3.789 1.136 ( 1.615 1.402 -2.476) 3.272 1.200 ( 4.749 -1.156 -1.864) 5.231 1.270 ( -1.092 2.223 -0.435) 2.514 1.505 ( -6.219 -0.045 -0.218) 6.223 1.527 ( -1.519 2.225 1.554) 3.110 1.915 ( 1.193 8.182 1.245) 8.362 2.010 ( -3.427 8.462 0.203) 9.132 2.116 ( -1.248 4.012 1.655) 4.516 2.275 ( -1.557 1.008 -2.228) 2.898 2.671 ( -9.487 4.889 0.943) 10.714 2.959 ( -0.417 -0.782 0.907) 1.268 3.138 ( 2.488 -3.969 1.284) 4.857 3.350 ( 1.362 -5.250 -2.013) 5.785 4.191 ( -0.071 -1.041 2.077) 2.325 4.411 ( -1.344 -2.197 -2.756) 3.772 4.792 ( -0.664 0.556 0.065) 0.869 4.881 ( 0.302 0.956 0.989) 1.409 4.916 ( 2.080 0.877 0.573) 2.329 4.925 ( -1.999 -1.049 -0.120) 2.261 5.026 ( 1.246 -0.218 -1.158) 1.715 5.094 ( 2.395 -2.295 -0.849) 3.424 9.330 ( -0.858 0.045 0.058) 0.861 9.349 ( 0.094 0.008 0.323) 0.336 10.034 ( -1.288 -0.119 -0.526) 1.396 10.074 ( 0.628 0.311 -0.069) 0.705 10.429 ( 0.024 -0.073 0.482) 0.488 10.460 ( -1.256 -0.441 0.194) 1.345 10.603 ( -1.128 -0.059 -1.678) 2.023 10.627 ( 5.510 2.635 0.996) 6.189 ======================= Grid point 108 (35/141) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 3.569 -4.742 1.416) 6.101 0.640 ( 4.243 -6.067 0.696) 7.436 0.748 ( 3.503 0.971 -3.121) 4.791 0.803 ( 2.280 -1.045 -6.155) 6.646 0.850 ( 0.560 -1.400 -0.849) 1.730 1.003 ( 0.861 -1.114 0.398) 1.463 1.034 ( 4.241 1.037 0.149) 4.369 1.149 ( 1.130 -2.839 1.641) 3.468 1.234 ( -0.752 0.218 6.048) 6.098 1.274 ( 4.113 -2.855 -2.015) 5.397 1.417 ( -5.135 3.700 0.656) 6.363 1.505 ( -0.168 0.929 3.346) 3.477 1.752 ( -0.191 10.200 0.487) 10.213 1.870 ( -1.511 4.607 -3.073) 5.740 2.026 ( -3.630 3.936 1.215) 5.490 2.254 ( -0.588 0.096 -1.260) 1.394 2.502 ( -9.834 4.987 0.752) 11.052 2.964 ( 0.120 0.195 0.929) 0.956 3.220 ( 1.144 -3.174 0.588) 3.425 3.441 ( 0.941 -4.175 -1.503) 4.536 4.222 ( 1.038 -1.448 0.659) 1.900 4.430 ( -0.308 -1.376 -2.304) 2.701 4.786 ( 0.621 0.226 0.355) 0.751 4.864 ( -1.153 0.679 1.310) 1.873 4.914 ( -0.913 -0.370 0.173) 1.000 4.934 ( 1.622 0.088 -0.035) 1.625 5.018 ( -0.494 0.572 -0.996) 1.251 5.164 ( 3.023 -2.430 -0.851) 3.971 9.322 ( -0.688 0.105 -0.036) 0.697 9.349 ( 0.068 0.034 0.124) 0.145 10.029 ( -0.941 -0.387 -0.276) 1.054 10.071 ( 0.500 0.577 0.007) 0.764 10.430 ( 0.055 -0.006 0.406) 0.410 10.451 ( -1.351 0.052 -0.519) 1.449 10.597 ( -0.686 -0.383 -1.424) 1.626 10.632 ( 4.122 1.707 1.013) 4.576 ======================= Grid point 109 (36/141) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 0.845 -2.367 0.390) 2.543 0.753 ( 3.085 0.019 -0.396) 3.110 0.765 ( 3.291 -3.370 0.987) 4.812 0.838 ( 0.335 -1.835 -3.743) 4.182 0.874 ( 0.491 -1.239 -3.149) 3.419 0.964 ( -0.420 2.573 -1.681) 3.103 1.055 ( 3.638 0.552 0.572) 3.724 1.223 ( 0.723 -1.076 5.768) 5.912 1.250 ( -0.881 -0.880 3.395) 3.616 1.309 ( -2.520 2.482 0.564) 3.582 1.371 ( 3.502 -3.254 1.810) 5.111 1.473 ( -1.362 3.098 2.367) 4.130 1.614 ( 0.354 4.060 -1.746) 4.434 1.803 ( 1.019 2.230 -4.165) 4.833 1.935 ( -3.342 2.733 -0.521) 4.348 2.250 ( -0.573 -0.017 -0.808) 0.991 2.349 ( -7.510 3.550 0.044) 8.307 2.960 ( 0.567 0.674 1.211) 1.497 3.267 ( 0.425 -1.382 0.330) 1.483 3.505 ( 0.365 -2.700 -0.645) 2.800 4.250 ( 0.862 -0.615 -0.370) 1.122 4.448 ( 0.245 -1.036 -1.694) 2.001 4.791 ( 0.706 0.106 0.486) 0.864 4.846 ( -0.872 0.521 1.386) 1.718 4.915 ( -1.511 -0.866 0.286) 1.765 4.947 ( 2.025 0.198 -0.204) 2.044 5.003 ( -0.700 0.378 -0.523) 0.952 5.216 ( 1.813 -1.270 -1.027) 2.440 9.315 ( -0.310 0.111 -0.138) 0.358 9.350 ( 0.076 -0.084 -0.141) 0.181 10.031 ( -0.580 -0.636 -0.070) 0.864 10.063 ( 0.363 0.687 0.044) 0.778 10.428 ( -0.525 0.251 -0.142) 0.599 10.441 ( -0.238 -0.056 -0.305) 0.391 10.598 ( -0.809 -0.590 -1.111) 1.496 10.637 ( 2.673 1.164 0.797) 3.022 ======================= Grid point 110 (37/141) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -1.094 0.070 -0.018) 1.097 0.747 ( 0.413 2.105 1.581) 2.665 0.820 ( -1.740 2.546 -1.486) 3.423 0.844 ( 1.979 -2.044 -1.317) 3.135 0.904 ( 1.255 -2.257 -3.053) 3.998 0.985 ( 0.327 -4.640 0.600) 4.690 1.070 ( 1.371 0.508 1.228) 1.909 1.175 ( -1.498 3.494 0.570) 3.844 1.235 ( -2.951 1.184 4.329) 5.371 1.300 ( -0.812 0.304 4.233) 4.320 1.390 ( 1.002 2.722 0.314) 2.917 1.486 ( 1.499 -3.777 1.726) 4.415 1.596 ( 0.521 -0.983 -1.623) 1.968 1.791 ( 2.002 -0.019 -3.958) 4.436 1.885 ( -1.002 0.507 -1.983) 2.279 2.234 ( -1.397 -0.272 -1.044) 1.765 2.281 ( -0.742 0.314 -0.420) 0.908 2.957 ( 1.143 0.706 1.353) 1.907 3.277 ( -0.111 0.349 0.249) 0.443 3.536 ( -0.114 -0.614 -0.118) 0.636 4.254 ( 0.074 0.472 -0.912) 1.030 4.463 ( 0.248 -0.619 -1.225) 1.395 4.789 ( -0.848 0.109 0.383) 0.937 4.842 ( 1.137 0.336 1.498) 1.911 4.918 ( -1.518 -0.815 0.399) 1.768 4.960 ( 1.403 0.060 -0.268) 1.430 4.994 ( -0.374 0.007 -0.222) 0.435 5.233 ( 0.184 0.115 -1.153) 1.173 9.312 ( 0.064 0.061 -0.206) 0.224 9.352 ( 0.034 -0.149 -0.203) 0.254 10.040 ( -0.306 -0.743 0.024) 0.804 10.054 ( 0.314 0.588 0.105) 0.675 10.417 ( -0.526 0.213 -0.627) 0.845 10.446 ( 0.665 -0.088 0.040) 0.672 10.598 ( -1.511 -0.652 -0.975) 1.913 10.639 ( 1.425 0.672 0.670) 1.712 ======================= Grid point 111 (38/141) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -2.339 2.192 0.499) 3.244 0.683 ( -2.511 4.350 -0.873) 5.098 0.766 ( -0.652 1.879 -0.355) 2.020 0.859 ( -0.207 0.338 -4.145) 4.164 0.946 ( -0.212 -2.018 0.032) 2.029 1.051 ( 0.959 -0.855 -2.153) 2.507 1.056 ( -1.823 1.530 -0.205) 2.389 1.136 ( -1.027 0.102 -0.627) 1.207 1.198 ( -2.575 0.471 4.676) 5.359 1.293 ( -2.492 -0.308 5.831) 6.349 1.355 ( 0.633 1.656 0.992) 2.032 1.545 ( 0.490 -2.098 2.832) 3.558 1.652 ( 0.560 -5.012 0.090) 5.044 1.827 ( 1.425 -3.143 -4.553) 5.713 1.900 ( 2.235 -1.991 -1.099) 3.188 2.250 ( 0.158 -0.799 -0.796) 1.139 2.317 ( 5.556 -3.417 -0.566) 6.547 2.958 ( 1.297 0.681 1.139) 1.856 3.254 ( -0.707 1.914 0.086) 2.042 3.522 ( -0.416 1.969 -0.322) 2.038 4.237 ( -0.579 0.832 -0.628) 1.192 4.467 ( 0.007 0.142 -1.286) 1.294 4.780 ( -1.182 -0.083 0.262) 1.214 4.853 ( 2.069 0.326 1.483) 2.567 4.918 ( -1.512 -0.563 0.257) 1.634 4.962 ( -0.325 0.246 0.349) 0.537 5.000 ( 0.942 -0.560 -0.675) 1.287 5.213 ( -1.431 1.372 -1.141) 2.288 9.314 ( 0.408 -0.072 -0.168) 0.447 9.354 ( -0.034 -0.027 -0.051) 0.066 10.048 ( 0.578 0.322 0.510) 0.836 10.051 ( -0.326 -0.596 -0.415) 0.796 10.413 ( 0.028 -0.087 -0.362) 0.374 10.453 ( 1.015 0.024 -0.160) 1.028 10.590 ( -2.615 -0.615 -1.049) 2.883 10.641 ( 0.502 0.142 0.661) 0.842 ======================= Grid point 112 (39/141) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -4.235 5.175 1.347) 6.821 0.556 ( -2.873 7.226 -2.634) 8.210 0.738 ( -1.223 0.432 -1.284) 1.825 0.840 ( -1.692 -0.312 -6.015) 6.256 0.963 ( -2.552 -0.168 2.745) 3.752 0.991 ( -2.529 3.055 -1.035) 4.099 1.039 ( -0.314 1.410 -1.649) 2.192 1.114 ( 0.128 1.364 0.604) 1.497 1.158 ( -1.912 5.131 3.264) 6.375 1.260 ( -2.066 -1.970 -0.984) 3.019 1.417 ( 1.029 -5.041 4.921) 7.119 1.595 ( 0.231 -2.567 2.903) 3.883 1.775 ( 0.064 -8.332 1.763) 8.517 1.905 ( 1.535 -5.188 -4.375) 6.958 1.976 ( 3.156 -3.555 0.966) 4.850 2.261 ( 0.984 -0.546 -1.000) 1.505 2.473 ( 9.517 -6.003 0.162) 11.254 2.954 ( 0.959 1.030 0.698) 1.571 3.200 ( -1.524 3.145 0.075) 3.496 3.460 ( -0.655 4.354 -0.982) 4.512 4.218 ( -0.955 0.579 0.581) 1.259 4.456 ( 0.399 0.847 -1.758) 1.991 4.777 ( -0.318 -0.454 0.154) 0.575 4.867 ( 2.058 0.314 1.341) 2.477 4.913 ( -1.966 -0.494 -0.115) 2.030 4.949 ( -1.017 0.551 0.693) 1.348 5.022 ( 1.246 -0.852 -0.993) 1.807 5.161 ( -2.652 2.305 -0.956) 3.641 9.321 ( 0.686 -0.184 -0.064) 0.713 9.352 ( 0.008 0.174 0.225) 0.285 10.049 ( 0.750 0.180 0.331) 0.839 10.059 ( -0.160 -0.473 -0.404) 0.642 10.417 ( 0.397 -0.081 0.063) 0.410 10.463 ( 1.211 -0.145 -0.189) 1.234 10.572 ( -3.807 -0.564 -1.302) 4.063 10.645 ( -0.171 -0.303 0.622) 0.712 ======================= Grid point 113 (40/141) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( -3.492 7.461 1.457) 8.366 0.380 ( -5.692 7.722 -1.190) 9.666 0.713 ( -0.856 1.330 -1.774) 2.377 0.790 ( -3.790 5.534 1.600) 6.895 0.858 ( -2.134 6.418 0.733) 6.803 0.944 ( -3.368 1.021 1.807) 3.956 1.013 ( -3.462 -0.597 -0.265) 3.523 1.081 ( 2.163 2.145 -3.302) 4.492 1.122 ( 0.411 -2.082 0.058) 2.123 1.296 ( -0.666 -2.396 -2.508) 3.532 1.518 ( 1.373 -4.215 2.080) 4.897 1.640 ( 0.332 -1.773 1.590) 2.405 1.928 ( -2.234 -8.682 2.262) 9.246 2.013 ( 3.786 -4.670 -0.648) 6.047 2.076 ( 0.977 -6.126 0.111) 6.205 2.287 ( 2.159 -1.026 -1.512) 2.828 2.661 ( 9.462 -5.613 0.812) 11.032 2.943 ( 1.654 1.438 0.483) 2.245 3.120 ( -3.179 3.695 0.645) 4.917 3.362 ( -0.956 5.552 -1.522) 5.836 4.206 ( -1.247 -0.161 2.526) 2.821 4.442 ( 1.681 1.349 -2.472) 3.280 4.793 ( 1.199 -0.975 0.064) 1.547 4.879 ( 0.841 0.111 0.972) 1.291 4.903 ( -1.950 -0.376 -0.479) 2.043 4.931 ( -0.976 0.683 0.672) 1.368 5.040 ( -0.107 -0.412 -0.730) 0.845 5.092 ( -2.351 2.364 -0.933) 3.462 9.330 ( 0.733 -0.162 0.033) 0.752 9.349 ( 0.174 0.349 0.400) 0.559 10.055 ( 0.830 -0.067 0.172) 0.851 10.063 ( 0.097 -0.168 -0.495) 0.532 10.419 ( 0.466 0.296 0.347) 0.652 10.481 ( 1.620 -0.656 0.668) 1.871 10.543 ( -4.816 -0.577 -1.769) 5.162 10.649 ( -0.753 -0.481 0.381) 0.971 ======================= Grid point 114 (41/141) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.217 ( -5.632 4.393 4.912) 8.669 0.224 ( -2.691 3.701 6.956) 8.326 0.573 ( -4.536 12.774 13.344) 19.022 0.686 ( -0.190 1.368 -4.544) 4.749 0.778 ( -0.209 2.644 -2.587) 3.705 0.895 ( -3.977 1.240 2.225) 4.723 0.998 ( -1.837 -0.514 -0.566) 1.990 1.076 ( 1.258 0.343 -1.536) 2.015 1.189 ( 1.133 -4.376 -3.740) 5.867 1.306 ( 0.055 0.567 -3.454) 3.500 1.584 ( -0.211 -2.547 -0.321) 2.575 1.661 ( -0.994 -0.426 -1.346) 1.727 2.016 ( -1.202 -2.921 3.563) 4.761 2.139 ( 2.258 -6.217 0.404) 6.627 2.193 ( 0.033 -5.662 -0.630) 5.697 2.319 ( 1.832 -0.758 -2.109) 2.895 2.810 ( 5.715 -3.367 1.323) 6.763 2.946 ( 5.712 1.587 1.209) 6.050 3.028 ( -6.160 1.988 1.144) 6.573 3.256 ( -1.317 4.751 -1.582) 5.178 4.222 ( -1.321 -2.912 4.104) 5.202 4.419 ( 1.473 3.062 -3.921) 5.188 4.833 ( 2.836 -1.550 -0.102) 3.233 4.875 ( -3.119 -0.802 -0.392) 3.244 4.897 ( 1.549 0.901 0.095) 1.795 4.910 ( -1.133 0.788 0.638) 1.521 5.001 ( -4.016 1.622 0.533) 4.364 5.072 ( 0.833 -0.074 -1.680) 1.876 9.337 ( 0.393 -0.016 0.098) 0.406 9.344 ( 0.258 0.455 0.165) 0.549 10.063 ( 0.411 0.009 -0.589) 0.719 10.065 ( 0.226 0.036 -0.266) 0.350 10.417 ( 0.388 0.444 0.886) 1.064 10.504 ( -4.374 0.163 -1.055) 4.502 10.523 ( 2.906 -1.972 1.434) 3.794 10.648 ( -1.328 -0.323 -0.139) 1.374 ======================= Grid point 116 (42/141) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 4.372 0.000 10.066) 10.975 0.339 ( 4.224 0.000 9.820) 10.690 0.522 ( 12.319 0.000 11.690) 16.982 0.662 ( 1.958 0.000 -7.505) 7.756 0.753 ( 0.909 0.000 -2.099) 2.288 0.844 ( 1.292 0.000 4.159) 4.355 1.075 ( 0.684 0.000 0.684) 0.967 1.147 ( 7.252 0.000 -3.865) 8.217 1.254 ( 0.395 0.000 -5.477) 5.491 1.286 ( 2.345 0.000 -3.108) 3.894 1.468 ( -7.452 -0.000 3.038) 8.047 1.547 ( -3.651 -0.000 -1.191) 3.840 2.056 ( 0.258 0.000 2.999) 3.010 2.217 ( -3.837 -0.000 -1.943) 4.301 2.228 ( -0.673 -0.000 0.732) 0.994 2.311 ( -0.538 -0.000 -2.203) 2.268 2.814 ( -10.769 -0.000 1.514) 10.875 2.846 ( -4.335 -0.000 1.657) 4.640 3.092 ( 3.730 0.000 2.180) 4.320 3.215 ( 3.235 0.000 -1.565) 3.594 4.181 ( -2.864 -0.000 3.038) 4.176 4.316 ( -0.143 -0.000 0.958) 0.968 4.812 ( -1.489 -0.000 -0.515) 1.576 4.883 ( -3.144 -0.000 1.522) 3.493 4.913 ( 0.907 0.000 -0.703) 1.148 4.968 ( 4.629 0.000 -1.151) 4.770 4.978 ( 5.195 0.000 0.755) 5.250 5.066 ( -0.831 -0.000 -1.396) 1.625 9.336 ( -0.044 -0.000 -0.085) 0.096 9.343 ( 0.048 0.000 -0.008) 0.049 10.036 ( -1.185 -0.000 -1.084) 1.606 10.076 ( 0.950 0.000 -0.373) 1.021 10.421 ( -0.415 -0.000 2.096) 2.136 10.444 ( -0.828 -0.000 1.463) 1.681 10.602 ( -1.558 -0.000 -1.918) 2.471 10.723 ( 5.284 0.000 -2.578) 5.879 ======================= Grid point 117 (43/141) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 5.800 -1.919 6.101) 8.634 0.468 ( 6.299 -4.179 6.635) 10.058 0.682 ( 3.444 -2.197 -4.700) 6.227 0.727 ( 9.345 -6.448 6.679) 13.172 0.777 ( 1.355 -1.850 -3.373) 4.079 0.881 ( 3.962 -0.825 4.301) 5.906 1.073 ( 2.653 1.076 0.768) 2.964 1.179 ( 3.384 1.384 -3.890) 5.339 1.235 ( 2.194 0.798 -1.594) 2.827 1.291 ( 0.230 1.426 -2.492) 2.881 1.434 ( -5.810 -1.119 0.004) 5.916 1.523 ( -2.399 -0.560 -0.316) 2.484 2.024 ( -1.004 3.664 0.927) 3.911 2.130 ( -3.405 7.397 0.583) 8.164 2.168 ( -3.224 2.190 -0.141) 3.900 2.282 ( -0.971 2.509 -1.194) 2.943 2.664 ( -11.260 4.127 0.814) 12.020 2.865 ( -6.612 -4.732 1.378) 8.247 3.133 ( 3.738 -1.344 1.453) 4.229 3.283 ( 3.175 -3.938 -1.179) 5.194 4.183 ( 1.128 -0.503 1.618) 2.036 4.346 ( -1.117 -2.866 0.082) 3.077 4.798 ( -0.151 0.460 -0.288) 0.563 4.866 ( -3.099 -0.562 1.632) 3.547 4.911 ( 0.184 0.454 -0.799) 0.937 4.981 ( 5.173 1.846 -0.223) 5.497 5.032 ( 1.288 -0.086 -1.125) 1.712 5.075 ( 2.250 -2.054 -0.358) 3.067 9.328 ( -0.275 0.417 -0.153) 0.523 9.348 ( -0.102 -0.226 0.217) 0.329 10.023 ( -1.137 0.093 -0.827) 1.409 10.083 ( 0.784 0.097 -0.307) 0.847 10.424 ( -0.509 -0.430 1.179) 1.354 10.441 ( -1.298 -0.302 1.226) 1.811 10.590 ( -0.886 -0.096 -1.830) 2.035 10.728 ( 4.718 2.966 -0.786) 5.628 ======================= Grid point 118 (44/141) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 5.755 -5.162 1.460) 7.868 0.599 ( 5.834 -3.924 4.031) 8.105 0.738 ( 2.416 -2.544 -5.167) 6.245 0.816 ( 2.283 -1.384 -6.467) 6.996 0.875 ( 6.643 0.379 3.899) 7.712 0.972 ( 5.192 -4.320 4.768) 8.268 1.089 ( 4.380 0.713 0.631) 4.482 1.158 ( 2.004 2.352 -4.525) 5.479 1.239 ( -2.130 0.819 1.954) 3.005 1.269 ( 2.736 -0.697 0.282) 2.837 1.394 ( -5.766 0.016 -0.269) 5.773 1.523 ( 0.179 -0.097 1.932) 1.943 1.916 ( -7.272 6.422 -0.628) 9.722 1.951 ( 2.417 9.177 0.657) 9.513 2.089 ( -2.575 4.793 1.733) 5.710 2.230 ( -3.120 0.331 -1.306) 3.398 2.495 ( -11.243 4.288 0.323) 12.038 2.890 ( -6.888 -4.238 1.117) 8.164 3.205 ( 4.207 -2.502 0.218) 4.899 3.377 ( 2.215 -4.055 -1.010) 4.729 4.214 ( 2.347 -0.982 0.536) 2.600 4.384 ( -1.120 -2.561 -0.875) 2.929 4.796 ( 1.011 0.185 0.040) 1.029 4.851 ( -3.028 -0.279 1.827) 3.547 4.903 ( 0.007 0.321 -0.980) 1.031 4.990 ( 4.683 1.861 0.095) 5.040 5.019 ( -0.937 0.579 -1.117) 1.568 5.146 ( 3.324 -2.493 -0.462) 4.180 9.320 ( -0.313 0.236 -0.037) 0.394 9.349 ( -0.207 -0.067 0.211) 0.303 10.014 ( -0.969 -0.259 -0.378) 1.072 10.084 ( 0.557 0.408 -0.299) 0.752 10.428 ( -0.194 -0.223 0.314) 0.432 10.434 ( -1.846 -0.309 0.636) 1.977 10.585 ( -0.288 -0.217 -1.298) 1.347 10.712 ( 4.228 2.936 0.112) 5.149 ======================= Grid point 119 (45/141) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 4.412 -2.335 0.697) 5.040 0.715 ( 4.042 -3.981 1.526) 5.875 0.790 ( 1.854 -2.012 -2.892) 3.981 0.837 ( 4.495 0.687 -8.479) 9.622 0.887 ( 3.754 2.896 1.972) 5.135 1.019 ( 1.228 3.252 -1.776) 3.904 1.106 ( 3.238 1.293 -0.638) 3.544 1.170 ( 0.695 -3.461 2.259) 4.191 1.242 ( -0.868 -1.557 6.344) 6.589 1.313 ( -0.033 -0.793 -5.503) 5.560 1.355 ( -0.747 -0.671 5.997) 6.081 1.520 ( 0.110 1.950 4.604) 5.001 1.720 ( -3.917 8.080 0.267) 8.983 1.862 ( 2.145 4.160 -2.806) 5.457 1.978 ( -2.250 4.991 0.505) 5.498 2.214 ( -3.759 -1.669 -1.027) 4.239 2.336 ( -9.572 3.446 -0.191) 10.175 2.902 ( -6.483 -3.462 1.102) 7.432 3.278 ( 4.659 -1.288 -0.169) 4.837 3.453 ( 0.863 -3.296 -0.679) 3.474 4.251 ( 2.194 -0.678 -0.197) 2.304 4.414 ( -0.825 -2.074 -1.274) 2.570 4.800 ( 0.356 0.455 0.593) 0.828 4.837 ( -1.684 -0.481 1.599) 2.371 4.900 ( 0.254 -0.077 -1.087) 1.119 4.995 ( 3.072 1.392 0.278) 3.384 5.000 ( -0.196 0.813 -0.603) 1.031 5.205 ( 2.023 -1.668 -0.810) 2.744 9.315 ( -0.095 0.086 0.021) 0.130 9.348 ( -0.128 -0.062 -0.060) 0.155 10.014 ( -0.690 -0.608 -0.047) 0.921 10.078 ( 0.370 0.642 -0.299) 0.799 10.422 ( -1.392 0.002 0.092) 1.395 10.434 ( -0.140 -0.468 0.018) 0.489 10.586 ( -0.232 -0.176 -0.758) 0.812 10.696 ( 3.064 2.524 0.190) 3.974 ======================= Grid point 120 (46/141) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 2.741 0.706 0.261) 2.842 0.802 ( 1.775 -2.232 -1.962) 3.461 0.822 ( 0.838 -0.073 -0.388) 0.927 0.836 ( 2.626 3.137 0.644) 4.141 0.883 ( 3.176 -1.953 -4.818) 6.092 0.959 ( -0.088 2.305 -0.575) 2.378 1.100 ( 0.654 1.356 -0.254) 1.527 1.216 ( -1.485 -0.456 1.659) 2.273 1.248 ( -1.075 2.982 4.467) 5.477 1.295 ( -0.517 -1.208 3.732) 3.957 1.429 ( 2.362 -3.706 1.419) 4.618 1.452 ( -2.330 4.131 3.170) 5.705 1.614 ( 0.623 2.519 -0.650) 2.674 1.822 ( 2.002 2.268 -3.397) 4.548 1.898 ( -0.530 2.281 -1.962) 3.055 2.208 ( -3.218 -0.921 -0.991) 3.491 2.246 ( -4.542 -1.047 -0.353) 4.674 2.907 ( -6.104 -2.986 0.866) 6.850 3.322 ( 4.915 0.971 0.248) 5.016 3.505 ( -0.257 -2.381 -0.271) 2.410 4.267 ( 1.214 0.477 -0.592) 1.432 4.439 ( -0.579 -1.617 -1.384) 2.206 4.786 ( -1.473 0.524 1.094) 1.908 4.846 ( 0.307 -0.654 1.247) 1.441 4.906 ( 0.788 -0.239 -0.963) 1.267 4.984 ( -0.922 0.227 -0.219) 0.975 4.998 ( 3.096 1.378 0.410) 3.414 5.232 ( 0.448 -0.359 -1.103) 1.243 9.315 ( 0.244 0.044 -0.069) 0.257 9.349 ( -0.093 -0.137 -0.250) 0.300 10.023 ( -0.421 -0.820 0.124) 0.930 10.068 ( 0.269 0.666 -0.171) 0.738 10.412 ( -0.897 -0.004 -0.330) 0.955 10.444 ( 0.277 -0.550 -0.023) 0.616 10.583 ( -0.635 0.014 -0.422) 0.763 10.677 ( 1.747 1.977 0.082) 2.640 ======================= Grid point 121 (47/141) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 0.859 2.548 0.555) 2.745 0.758 ( -0.232 4.739 -0.177) 4.748 0.800 ( 0.087 2.383 0.524) 2.441 0.852 ( 0.295 -1.132 -3.557) 3.744 0.932 ( 1.720 0.019 0.026) 1.720 0.996 ( 1.541 -5.556 -0.354) 5.777 1.068 ( -1.774 1.555 -0.182) 2.366 1.145 ( -2.217 4.280 0.859) 4.896 1.207 ( -2.104 1.467 5.240) 5.834 1.297 ( -0.616 1.190 2.592) 2.918 1.395 ( -0.407 1.691 0.574) 1.832 1.507 ( -0.355 -3.403 2.249) 4.095 1.603 ( 1.082 -0.133 -1.406) 1.779 1.802 ( 0.681 0.007 -4.281) 4.335 1.893 ( 2.850 -1.072 -1.821) 3.548 2.214 ( -2.343 -2.082 -0.613) 3.194 2.286 ( 3.162 -4.420 -0.002) 5.435 2.908 ( -6.082 -2.840 0.330) 6.720 3.326 ( 4.396 3.093 0.862) 5.444 3.528 ( -0.643 -0.595 -0.382) 0.956 4.256 ( 0.370 1.323 -0.374) 1.424 4.454 ( -0.662 -0.881 -1.723) 2.046 4.768 ( -1.490 0.096 1.104) 1.857 4.862 ( 0.366 -0.489 1.109) 1.266 4.914 ( 0.928 0.097 -0.555) 1.086 4.975 ( -0.034 0.422 0.279) 0.507 5.003 ( 1.876 0.435 0.082) 1.928 5.222 ( -0.986 1.026 -1.305) 1.930 9.317 ( 0.530 0.007 -0.170) 0.557 9.351 ( -0.163 -0.197 -0.240) 0.350 10.035 ( -0.254 -0.826 0.079) 0.868 10.060 ( 0.280 0.467 0.034) 0.546 10.408 ( -0.250 -0.221 -0.331) 0.470 10.456 ( 0.530 -0.436 -0.257) 0.732 10.572 ( -1.220 0.317 -0.246) 1.284 10.658 ( 0.642 1.248 -0.017) 1.403 ======================= Grid point 122 (48/141) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -1.200 4.582 1.423) 4.945 0.661 ( 0.089 5.964 -0.710) 6.007 0.759 ( -0.021 2.341 -0.812) 2.478 0.835 ( -0.493 1.753 -4.633) 4.978 0.938 ( -1.219 -0.159 1.245) 1.750 1.012 ( -2.878 1.979 -0.694) 3.561 1.059 ( 0.249 0.256 -1.635) 1.673 1.119 ( -0.046 -1.709 -1.889) 2.548 1.180 ( -0.943 0.577 5.242) 5.358 1.271 ( -1.768 2.272 3.950) 4.888 1.367 ( 0.439 -0.379 1.805) 1.896 1.549 ( -1.173 -2.233 2.360) 3.454 1.648 ( -0.667 -5.350 -0.743) 5.442 1.832 ( 1.045 -3.279 -5.266) 6.291 1.963 ( 4.675 -2.573 0.581) 5.368 2.231 ( -1.947 -2.230 -0.982) 3.119 2.439 ( 8.084 -6.642 1.056) 10.516 2.904 ( -6.127 -2.628 -0.324) 6.675 3.291 ( 3.187 4.745 1.271) 5.856 3.510 ( -0.603 2.017 -1.183) 2.415 4.232 ( -0.051 1.390 0.511) 1.482 4.455 ( -0.544 -0.303 -2.382) 2.462 4.764 ( -0.815 -0.538 0.976) 1.381 4.870 ( -0.383 -0.182 0.500) 0.656 4.914 ( 0.340 0.463 0.226) 0.618 4.969 ( 1.237 0.976 0.659) 1.708 5.015 ( 0.828 -0.503 -0.412) 1.053 5.179 ( -1.848 2.152 -1.413) 3.169 9.323 ( 0.642 -0.135 -0.133) 0.669 9.352 ( -0.198 -0.170 -0.077) 0.272 10.046 ( -0.151 -0.617 -0.152) 0.653 10.058 ( 0.328 0.104 0.192) 0.394 10.414 ( 0.153 -0.418 -0.012) 0.445 10.467 ( 0.624 -0.295 -0.579) 0.901 10.551 ( -1.514 0.648 -0.052) 1.647 10.645 ( -0.178 0.484 -0.162) 0.540 ======================= Grid point 123 (49/141) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -1.989 6.962 2.455) 7.645 0.536 ( 1.244 9.052 -2.155) 9.388 0.727 ( 0.388 0.865 -3.085) 3.227 0.802 ( -0.649 0.549 -4.883) 4.956 0.912 ( -3.850 1.604 2.405) 4.815 0.960 ( -0.595 1.730 -0.937) 2.056 1.021 ( -1.657 3.500 1.163) 4.043 1.120 ( 0.261 0.950 0.812) 1.277 1.160 ( 1.794 4.386 -0.674) 4.787 1.235 ( -0.776 -2.564 0.278) 2.694 1.446 ( 0.627 -5.305 4.362) 6.897 1.585 ( -2.281 -2.985 1.188) 3.940 1.765 ( -1.309 -8.397 1.552) 8.639 1.913 ( 0.801 -6.007 -4.362) 7.467 2.041 ( 3.146 -2.216 2.193) 4.429 2.261 ( -0.210 -2.480 -1.773) 3.056 2.629 ( 7.383 -6.649 1.970) 10.129 2.900 ( -4.798 -2.473 -0.979) 5.486 3.218 ( 1.575 6.041 1.651) 6.458 3.445 ( -0.436 4.494 -2.156) 5.004 4.210 ( -0.485 1.035 1.920) 2.234 4.452 ( 0.038 -0.098 -3.246) 3.248 4.779 ( 0.204 -1.381 0.756) 1.588 4.861 ( -1.347 0.260 -0.368) 1.421 4.908 ( -0.268 0.300 1.132) 1.201 4.963 ( 2.126 1.435 0.637) 2.643 5.028 ( -0.495 -0.588 -0.602) 0.976 5.118 ( -1.391 2.666 -1.505) 3.362 9.331 ( 0.464 -0.224 0.113) 0.528 9.353 ( -0.168 -0.071 0.046) 0.188 10.054 ( -0.012 -0.397 -0.254) 0.472 10.061 ( 0.134 -0.193 0.042) 0.239 10.422 ( 0.167 -0.253 0.332) 0.450 10.477 ( 0.415 -0.521 -0.766) 1.015 10.528 ( -0.560 0.839 0.506) 1.129 10.637 ( -0.804 -0.073 -0.463) 0.930 ======================= Grid point 124 (50/141) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( 0.628 7.504 3.173) 8.171 0.379 ( 3.726 9.804 0.207) 10.491 0.709 ( 1.130 1.537 -4.672) 5.046 0.755 ( -1.498 6.186 4.776) 7.958 0.829 ( -1.372 4.193 -0.600) 4.453 0.896 ( -2.165 3.162 1.658) 4.176 0.983 ( 0.247 -0.562 0.055) 0.617 1.118 ( 2.258 0.985 -2.622) 3.598 1.134 ( 2.599 -0.742 -1.952) 3.334 1.284 ( -0.164 -2.475 -1.948) 3.154 1.531 ( -0.391 -3.193 1.622) 3.602 1.609 ( -4.373 -2.384 0.261) 4.988 1.907 ( -0.851 -7.906 2.198) 8.250 2.039 ( -0.188 -8.082 -0.595) 8.107 2.108 ( 1.626 -3.156 1.565) 3.880 2.298 ( -0.128 -1.910 -2.388) 3.061 2.772 ( -0.058 -4.909 2.230) 5.393 2.923 ( 0.585 -2.755 -1.204) 3.063 3.115 ( 0.462 6.683 2.426) 7.125 3.346 ( 0.026 5.801 -2.531) 6.329 4.196 ( -1.192 0.190 3.384) 3.593 4.442 ( -0.581 0.783 -4.223) 4.334 4.813 ( -0.623 -1.912 0.441) 2.059 4.847 ( 0.572 -0.023 -0.639) 0.858 4.903 ( -0.421 0.178 1.409) 1.481 4.957 ( 1.550 1.216 0.599) 2.060 5.007 ( -1.672 1.916 -0.562) 2.604 5.078 ( 0.490 0.839 -1.614) 1.884 9.338 ( 0.092 -0.178 0.426) 0.471 9.350 ( -0.341 0.186 -0.051) 0.392 10.057 ( -0.784 -0.214 -0.399) 0.905 10.066 ( 0.294 -0.178 -0.233) 0.415 10.425 ( 0.152 0.106 0.533) 0.564 10.479 ( -1.287 0.187 -0.536) 1.406 10.537 ( 3.825 -0.938 1.618) 4.257 10.630 ( -1.341 -0.251 -0.949) 1.662 ======================= Grid point 127 (51/141) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 4.941 0.000 9.808) 10.982 0.449 ( 5.431 0.000 6.669) 8.600 0.684 ( 3.002 0.000 -6.197) 6.886 0.766 ( 1.463 0.000 -2.244) 2.679 0.790 ( 14.638 0.000 5.865) 15.770 0.927 ( 6.457 0.000 5.471) 8.463 1.099 ( 1.745 0.000 1.143) 2.086 1.216 ( 2.200 0.000 0.586) 2.276 1.235 ( -0.740 -0.000 -3.947) 4.016 1.311 ( 0.451 0.000 -1.330) 1.404 1.407 ( 0.327 0.000 -2.228) 2.252 1.484 ( -2.992 -0.000 -1.706) 3.444 2.044 ( -3.633 -0.000 1.485) 3.925 2.094 ( -8.953 -0.000 -3.470) 9.602 2.215 ( -0.099 -0.000 0.573) 0.581 2.308 ( 0.008 0.000 -0.313) 0.313 2.608 ( -13.771 -0.000 2.207) 13.946 2.753 ( -6.445 -0.000 -0.140) 6.446 3.147 ( 2.151 0.000 2.472) 3.277 3.274 ( 3.812 0.000 -1.050) 3.954 4.200 ( 3.128 0.000 0.735) 3.213 4.316 ( -0.330 -0.000 1.981) 2.009 4.801 ( 0.235 0.000 -0.609) 0.653 4.841 ( -2.330 -0.000 1.512) 2.778 4.917 ( 0.103 0.000 -0.753) 0.760 5.033 ( -1.265 -0.000 -1.346) 1.847 5.048 ( 4.932 0.000 -1.105) 5.054 5.074 ( 4.494 0.000 0.832) 4.570 9.333 ( -0.124 -0.000 -0.573) 0.586 9.342 ( -0.329 -0.000 0.192) 0.381 10.013 ( -1.159 -0.000 -0.953) 1.501 10.090 ( 0.742 0.000 -0.566) 0.933 10.413 ( -1.342 -0.000 2.268) 2.635 10.433 ( -0.871 -0.000 0.806) 1.187 10.581 ( -0.198 -0.000 -1.436) 1.450 10.786 ( 3.327 0.000 -1.435) 3.623 ======================= Grid point 128 (52/141) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 6.618 -1.479 4.651) 8.223 0.579 ( 4.937 -4.805 6.320) 9.349 0.715 ( 2.689 -1.657 -4.856) 5.793 0.794 ( 1.927 -1.856 -3.450) 4.366 0.931 ( 10.711 -1.600 4.038) 11.558 1.000 ( 7.593 -0.407 4.937) 9.066 1.122 ( 2.572 -0.469 1.007) 2.801 1.211 ( 1.071 0.965 -2.546) 2.926 1.241 ( 0.496 0.321 -0.884) 1.063 1.284 ( -1.386 1.586 1.383) 2.519 1.374 ( -0.789 2.469 -3.188) 4.109 1.502 ( 0.324 -2.589 -0.631) 2.684 1.935 ( -8.268 4.269 -1.576) 9.437 2.062 ( -7.293 -2.525 -0.528) 7.736 2.133 ( 1.074 8.392 1.037) 8.523 2.271 ( -0.598 4.307 0.794) 4.421 2.462 ( -12.565 3.113 1.327) 13.013 2.745 ( -7.428 -4.544 -0.255) 8.711 3.188 ( 2.380 -2.321 1.428) 3.618 3.335 ( 2.995 -3.135 -0.846) 4.418 4.231 ( 3.647 -0.125 0.261) 3.659 4.335 ( -0.437 -1.892 1.264) 2.316 4.806 ( 1.160 -0.132 -0.475) 1.260 4.826 ( -2.259 -0.095 1.605) 2.773 4.911 ( 0.175 0.497 -0.833) 0.985 5.011 ( -1.878 0.433 -1.000) 2.171 5.068 ( 4.850 1.639 -0.441) 5.138 5.135 ( 3.664 -1.875 -0.023) 4.116 9.325 ( -0.104 0.476 -0.294) 0.570 9.343 ( -0.471 -0.296 0.059) 0.559 10.002 ( -1.018 -0.073 -0.507) 1.140 10.093 ( 0.516 0.178 -0.754) 0.931 10.410 ( -1.733 -0.573 1.689) 2.487 10.426 ( -0.651 0.052 0.428) 0.781 10.581 ( 0.342 -0.077 -0.688) 0.772 10.790 ( 3.134 2.091 -0.944) 3.884 ======================= Grid point 129 (53/141) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 5.705 -3.597 1.633) 6.939 0.697 ( 4.118 -3.112 3.092) 6.017 0.767 ( 2.657 -2.257 -2.463) 4.269 0.843 ( 3.278 -1.773 -5.807) 6.900 1.003 ( 6.093 2.272 2.442) 6.946 1.073 ( 4.993 -0.122 1.772) 5.300 1.148 ( -1.494 2.822 -3.556) 4.779 1.167 ( 3.979 1.814 -0.964) 4.478 1.216 ( -0.303 -0.907 1.181) 1.520 1.301 ( 0.413 0.190 -1.163) 1.248 1.332 ( -1.386 -1.277 4.250) 4.649 1.546 ( 1.541 -0.690 2.204) 2.776 1.784 ( -7.304 4.990 -0.935) 8.895 1.985 ( -0.626 6.891 1.041) 6.997 2.038 ( -2.532 1.887 0.383) 3.181 2.173 ( -3.009 3.779 0.349) 4.843 2.310 ( -10.286 3.132 0.397) 10.759 2.767 ( -7.247 -4.862 -0.169) 8.729 3.266 ( 3.013 -3.593 0.129) 4.691 3.410 ( 1.801 -2.951 -0.740) 3.535 4.265 ( 3.136 -0.274 0.129) 3.151 4.368 ( -0.595 -2.111 -0.093) 2.195 4.807 ( -1.888 0.420 1.797) 2.641 4.824 ( 1.332 -0.484 -0.156) 1.426 4.905 ( 0.540 0.307 -1.130) 1.290 4.988 ( -1.903 0.194 -0.619) 2.010 5.073 ( 4.461 2.218 0.011) 4.982 5.191 ( 2.112 -1.686 -0.545) 2.757 9.317 ( -0.051 0.229 0.124) 0.265 9.344 ( -0.261 -0.237 -0.187) 0.399 9.999 ( -0.724 -0.449 -0.034) 0.853 10.089 ( 0.338 0.437 -0.810) 0.980 10.406 ( -1.733 -0.420 0.937) 2.014 10.425 ( -0.246 -0.323 0.072) 0.412 10.585 ( 0.388 0.046 -0.061) 0.395 10.769 ( 2.608 2.849 -0.691) 3.924 ======================= Grid point 130 (54/141) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 4.324 -1.208 0.662) 4.538 0.765 ( 1.443 -2.090 -0.785) 2.658 0.824 ( 3.036 -1.125 -0.079) 3.238 0.885 ( 3.960 -0.335 -5.216) 6.557 0.965 ( 4.491 6.635 -2.350) 8.350 1.023 ( -1.048 4.180 -1.375) 4.523 1.108 ( -0.617 0.346 -0.644) 0.957 1.212 ( 2.832 -0.310 1.352) 3.153 1.241 ( -1.259 -2.414 4.757) 5.481 1.279 ( -1.711 -0.057 -2.209) 2.795 1.394 ( 1.717 -2.920 4.048) 5.279 1.521 ( -2.554 4.738 5.676) 7.822 1.669 ( -0.527 2.947 0.394) 3.020 1.889 ( 0.216 4.083 -1.300) 4.290 1.962 ( 1.197 5.222 -0.722) 5.405 2.125 ( -6.117 -2.461 -0.522) 6.614 2.202 ( -5.530 0.637 0.246) 5.572 2.787 ( -6.742 -4.071 -0.650) 7.902 3.352 ( 3.954 -2.479 -0.138) 4.669 3.461 ( 0.174 -2.109 -0.325) 2.141 4.287 ( 1.833 0.326 0.051) 1.863 4.399 ( -0.350 -2.021 -1.099) 2.327 4.784 ( -1.952 0.600 1.938) 2.815 4.844 ( 1.474 -0.367 0.021) 1.519 4.908 ( 0.908 -0.213 -1.151) 1.482 4.972 ( -1.566 -0.132 -0.364) 1.613 5.066 ( 3.698 2.455 0.531) 4.471 5.224 ( 0.617 -0.841 -1.022) 1.460 9.317 ( 0.111 -0.048 0.237) 0.266 9.346 ( -0.028 -0.118 -0.374) 0.393 10.005 ( -0.421 -0.768 0.263) 0.914 10.081 ( 0.230 0.629 -0.675) 0.951 10.401 ( -1.110 -0.314 0.332) 1.200 10.433 ( -0.064 -0.693 -0.131) 0.708 10.584 ( 0.121 0.322 0.293) 0.452 10.735 ( 1.628 2.910 -0.656) 3.398 ======================= Grid point 131 (55/141) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 3.444 2.566 0.639) 4.342 0.795 ( -0.101 -0.010 -2.487) 2.489 0.832 ( 0.346 0.637 -1.296) 1.485 0.872 ( 0.859 3.654 0.564) 3.796 0.929 ( 0.290 -0.762 -2.051) 2.208 0.984 ( 5.639 1.208 -1.431) 5.942 1.077 ( -1.982 1.590 -1.103) 2.770 1.217 ( -3.313 1.798 5.137) 6.372 1.223 ( 0.220 3.155 0.180) 3.168 1.297 ( -0.519 -1.778 2.754) 3.319 1.414 ( -3.281 2.845 3.955) 5.874 1.455 ( 0.371 -2.234 0.951) 2.456 1.641 ( 1.980 2.402 0.644) 3.179 1.828 ( 0.115 2.976 -3.590) 4.665 1.910 ( 2.887 1.111 -2.148) 3.766 2.130 ( -5.527 -3.391 -0.538) 6.507 2.226 ( 2.062 -4.774 1.550) 5.426 2.795 ( -6.389 -3.405 -1.542) 7.402 3.404 ( 4.177 0.945 0.588) 4.323 3.494 ( -1.026 -2.244 -0.204) 2.476 4.283 ( 0.705 1.196 0.216) 1.405 4.425 ( -0.278 -1.397 -1.942) 2.409 4.763 ( -1.481 0.411 1.969) 2.498 4.861 ( 1.176 -0.285 -0.029) 1.211 4.918 ( 0.251 -0.236 -0.410) 0.535 4.967 ( -0.469 -0.537 -0.585) 0.922 5.052 ( 2.600 2.249 1.023) 3.587 5.227 ( -0.472 0.426 -1.430) 1.565 9.321 ( 0.336 -0.135 0.086) 0.372 9.346 ( -0.044 -0.046 -0.420) 0.425 10.018 ( -0.182 -0.890 0.351) 0.974 10.071 ( 0.138 0.597 -0.409) 0.737 10.400 ( -0.385 -0.367 0.019) 0.532 10.446 ( 0.053 -0.830 -0.370) 0.910 10.576 ( -0.157 0.674 0.469) 0.836 10.695 ( 0.617 2.425 -0.668) 2.590 ======================= Grid point 132 (56/141) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 1.441 4.744 2.125) 5.395 0.751 ( 0.212 3.674 -0.582) 3.726 0.806 ( -0.143 3.351 -0.216) 3.361 0.847 ( 0.715 -0.587 -3.696) 3.810 0.934 ( -1.468 0.026 0.988) 1.769 1.021 ( -1.051 1.757 -1.607) 2.603 1.062 ( 3.742 -2.575 0.629) 4.586 1.091 ( -4.224 4.181 0.769) 5.992 1.210 ( 0.493 1.465 4.534) 4.790 1.298 ( -0.224 1.205 2.073) 2.408 1.384 ( -1.163 0.718 1.005) 1.697 1.490 ( -1.923 -2.822 1.522) 3.739 1.611 ( 0.179 1.318 -2.355) 2.704 1.795 ( 0.373 -0.398 -5.041) 5.071 1.962 ( 4.777 -2.130 0.450) 5.250 2.152 ( -3.523 -3.705 -1.077) 5.225 2.375 ( 5.062 -7.377 2.902) 9.405 2.799 ( -5.245 -3.148 -2.266) 6.524 3.390 ( 1.931 3.479 1.583) 4.282 3.516 ( -0.301 -0.629 -0.950) 1.179 4.262 ( 0.268 1.637 0.740) 1.817 4.437 ( -0.264 -0.702 -2.718) 2.819 4.753 ( -0.763 -0.078 1.915) 2.063 4.871 ( 0.752 0.106 -0.505) 0.912 4.916 ( -0.966 0.026 0.594) 1.135 4.981 ( 0.883 -0.738 -0.896) 1.459 5.035 ( 1.039 1.698 1.394) 2.431 5.200 ( -0.678 1.673 -1.726) 2.497 9.326 ( 0.434 -0.118 -0.061) 0.453 9.346 ( -0.195 -0.128 -0.366) 0.434 10.033 ( -0.020 -0.791 0.241) 0.827 10.062 ( 0.002 0.336 -0.187) 0.385 10.407 ( 0.166 -0.484 0.076) 0.517 10.460 ( 0.018 -0.694 -0.686) 0.976 10.561 ( -0.041 0.971 0.640) 1.164 10.661 ( -0.172 1.598 -0.740) 1.769 ======================= Grid point 133 (57/141) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 0.767 6.237 2.792) 6.876 0.676 ( 1.690 5.601 -0.266) 5.856 0.751 ( -0.684 2.730 -2.338) 3.659 0.822 ( 0.675 2.348 -3.810) 4.526 0.911 ( -2.089 0.895 0.520) 2.332 0.976 ( -0.503 1.472 -0.966) 1.831 1.033 ( -2.100 -0.762 -1.916) 2.943 1.140 ( 2.060 -0.564 1.362) 2.533 1.202 ( 1.568 0.801 4.100) 4.462 1.264 ( -0.027 3.362 1.888) 3.856 1.379 ( -0.041 -2.307 2.302) 3.259 1.522 ( -2.624 -2.280 1.936) 3.978 1.631 ( -0.732 -4.929 -2.075) 5.398 1.827 ( 0.365 -3.527 -5.306) 6.382 2.029 ( 1.282 -2.021 2.473) 3.442 2.200 ( 0.046 -3.598 -1.918) 4.078 2.546 ( 1.332 -7.558 3.606) 8.479 2.820 ( -0.710 -3.135 -2.477) 4.059 3.326 ( -0.171 4.875 1.983) 5.266 3.499 ( 0.028 2.245 -1.935) 2.964 4.236 ( 0.073 1.648 1.424) 2.179 4.441 ( 0.187 -0.414 -3.259) 3.291 4.760 ( -0.058 -0.809 1.608) 1.801 4.867 ( 0.243 0.680 -1.000) 1.234 4.907 ( -1.050 0.064 1.129) 1.543 4.998 ( 1.462 0.248 -0.203) 1.497 5.014 ( -1.406 0.448 0.725) 1.644 5.158 ( 0.477 2.502 -1.778) 3.106 9.331 ( 0.174 -0.160 0.038) 0.240 9.347 ( -0.236 -0.215 -0.294) 0.434 10.045 ( 0.013 -0.521 0.018) 0.521 10.058 ( -0.198 -0.027 -0.104) 0.226 10.418 ( 0.314 -0.428 0.304) 0.611 10.468 ( -0.156 -0.526 -0.909) 1.062 10.548 ( 1.005 0.916 0.991) 1.683 10.635 ( -0.700 0.766 -0.956) 1.411 ======================= Grid point 134 (58/141) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 2.487 6.981 2.741) 7.901 0.573 ( 3.491 8.215 -0.853) 8.967 0.724 ( 0.807 -0.341 -3.838) 3.937 0.791 ( 1.145 1.486 -4.670) 5.033 0.865 ( -1.936 2.085 -0.281) 2.859 0.972 ( 2.258 0.527 -0.132) 2.323 1.002 ( -0.782 3.483 1.852) 4.022 1.129 ( 0.501 1.648 1.618) 2.364 1.208 ( 4.152 3.420 -2.770) 6.050 1.231 ( -0.446 -2.171 3.388) 4.049 1.462 ( -0.506 -5.236 3.538) 6.340 1.531 ( -3.785 -1.567 0.374) 4.114 1.752 ( -0.496 -9.005 0.750) 9.050 1.901 ( -0.716 -5.925 -3.525) 6.932 2.069 ( -1.257 -2.482 2.540) 3.768 2.255 ( 0.465 -2.277 -2.077) 3.117 2.646 ( -6.663 -5.903 2.326) 9.201 2.899 ( 5.322 -3.197 -0.961) 6.282 3.228 ( -1.162 5.774 1.930) 6.198 3.436 ( 0.330 4.496 -2.486) 5.148 4.211 ( -0.128 1.473 1.948) 2.446 4.441 ( 0.042 0.230 -3.487) 3.495 4.782 ( -0.204 -1.189 0.886) 1.497 4.858 ( 1.085 0.233 -0.566) 1.245 4.902 ( -0.366 -0.057 1.143) 1.201 4.971 ( -2.627 1.360 1.014) 3.127 5.019 ( 0.663 -0.367 -1.127) 1.358 5.120 ( 2.101 2.677 -1.380) 3.672 9.334 ( -0.456 -0.195 0.234) 0.549 9.347 ( -0.117 -0.081 -0.124) 0.188 10.046 ( -0.874 -0.020 -0.346) 0.940 10.063 ( 0.314 -0.410 0.019) 0.517 10.426 ( 0.187 -0.163 0.445) 0.510 10.471 ( -0.665 -0.208 -0.803) 1.063 10.559 ( 3.411 -0.290 1.475) 3.728 10.618 ( -1.024 0.240 -1.324) 1.690 ======================= Grid point 138 (59/141) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 5.839 0.000 7.582) 9.570 0.561 ( 5.612 0.000 4.654) 7.291 0.711 ( 2.012 0.000 -4.278) 4.728 0.785 ( 1.575 0.000 -2.292) 2.781 1.023 ( 10.848 0.000 1.963) 11.024 1.068 ( 6.907 0.000 5.296) 8.703 1.133 ( 1.287 0.000 1.554) 2.018 1.213 ( 0.016 0.000 -1.784) 1.784 1.236 ( -0.626 -0.000 5.070) 5.109 1.307 ( 0.965 0.000 -5.161) 5.250 1.441 ( 3.766 0.000 -2.397) 4.464 1.443 ( -0.856 -0.000 -3.314) 3.423 1.919 ( -9.736 -0.000 -3.578) 10.373 1.940 ( -8.231 -0.000 1.091) 8.303 2.238 ( 2.234 0.000 0.058) 2.235 2.286 ( -4.647 -0.000 2.552) 5.301 2.397 ( -9.905 -0.000 1.779) 10.063 2.640 ( -6.270 -0.000 -1.893) 6.550 3.184 ( 1.433 0.000 2.441) 2.831 3.326 ( 2.596 0.000 -0.909) 2.751 4.265 ( 4.005 0.000 -0.224) 4.011 4.320 ( 0.013 0.000 2.357) 2.357 4.813 ( -1.676 -0.000 1.547) 2.281 4.813 ( 1.476 0.000 -0.752) 1.657 4.916 ( 0.201 0.000 -0.740) 0.767 4.995 ( -2.452 -0.000 -0.877) 2.605 5.120 ( 3.967 0.000 -0.938) 4.076 5.149 ( 3.661 0.000 0.421) 3.685 9.330 ( 0.091 0.000 -0.937) 0.941 9.333 ( -0.810 -0.000 0.456) 0.930 9.992 ( -0.975 -0.000 -0.340) 1.033 10.096 ( 0.389 0.000 -1.160) 1.223 10.393 ( -1.764 -0.000 2.113) 2.752 10.422 ( -0.531 -0.000 0.266) 0.594 10.585 ( 0.759 0.000 0.170) 0.778 10.830 ( 2.338 0.000 -1.404) 2.727 ======================= Grid point 139 (60/141) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 5.573 -0.962 3.718) 6.768 0.678 ( 4.491 -4.027 4.931) 7.791 0.737 ( 1.320 -2.010 -2.875) 3.748 0.818 ( 2.090 -2.416 -3.165) 4.497 1.080 ( 5.427 1.928 1.152) 5.874 1.118 ( 1.900 -0.243 2.132) 2.866 1.150 ( 1.648 0.145 1.037) 1.952 1.215 ( 1.618 0.191 -0.303) 1.657 1.267 ( 1.885 0.813 -1.053) 2.307 1.278 ( 0.931 -0.026 0.798) 1.226 1.363 ( 0.573 4.643 -3.493) 5.838 1.529 ( 3.043 -3.188 -0.999) 4.519 1.791 ( -7.226 3.341 -1.627) 8.126 1.918 ( -8.925 -3.308 0.400) 9.527 2.144 ( -2.129 6.779 2.529) 7.542 2.252 ( -2.930 2.855 1.960) 4.536 2.295 ( -4.960 4.661 0.642) 6.837 2.627 ( -5.769 -4.056 -1.780) 7.273 3.224 ( 1.491 -2.865 1.502) 3.562 3.372 ( 1.706 -2.782 -0.952) 3.399 4.292 ( 3.122 0.275 0.268) 3.146 4.337 ( 0.089 -1.272 1.157) 1.721 4.799 ( -1.596 0.260 1.642) 2.304 4.831 ( 2.000 -0.409 -0.672) 2.149 4.914 ( 0.438 0.373 -0.824) 1.004 4.971 ( -2.430 0.074 -0.612) 2.507 5.139 ( 3.659 1.238 -0.491) 3.894 5.184 ( 2.073 -0.915 -0.139) 2.270 9.321 ( -0.406 0.321 0.207) 0.557 9.336 ( -0.090 -0.408 -0.509) 0.658 9.987 ( -0.675 -0.248 0.064) 0.722 10.096 ( 0.273 0.172 -1.337) 1.376 10.385 ( -1.633 -0.407 1.738) 2.420 10.420 ( -0.256 -0.081 0.069) 0.277 10.592 ( 0.755 0.119 0.824) 1.124 10.828 ( 1.809 1.786 -1.493) 2.948 ======================= Grid point 140 (61/141) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 3.206 -2.368 1.729) 4.344 0.755 ( 2.901 -1.158 -0.266) 3.135 0.807 ( 1.728 -3.851 0.349) 4.235 0.890 ( 3.807 -3.260 -3.088) 5.887 1.053 ( -0.196 3.549 -0.836) 3.651 1.096 ( -2.479 3.699 -0.813) 4.526 1.141 ( 2.212 1.658 -0.495) 2.809 1.230 ( 2.907 0.749 -2.479) 3.893 1.235 ( 2.364 0.735 -1.256) 2.776 1.278 ( -1.091 3.246 -0.590) 3.475 1.355 ( 0.725 -3.426 3.950) 5.278 1.573 ( -0.235 1.517 2.330) 2.790 1.701 ( -0.912 1.486 0.463) 1.804 1.896 ( -7.375 -1.490 1.175) 7.615 2.046 ( 0.641 3.162 1.042) 3.390 2.138 ( -1.372 7.675 1.393) 7.920 2.180 ( -4.731 2.784 1.209) 5.621 2.658 ( -4.960 -4.499 -2.130) 7.027 3.308 ( 1.783 -4.556 0.436) 4.912 3.429 ( 0.759 -2.359 -0.942) 2.651 4.307 ( 1.337 0.342 0.863) 1.628 4.366 ( 0.621 -1.651 -0.485) 1.829 4.782 ( -1.556 0.523 1.816) 2.448 4.855 ( 2.125 -0.248 -0.564) 2.213 4.911 ( 0.377 0.122 -0.825) 0.915 4.954 ( -1.735 -0.260 -0.419) 1.803 5.137 ( 2.940 2.148 0.096) 3.642 5.212 ( 0.596 -0.957 -0.779) 1.370 9.316 ( -0.342 -0.010 0.457) 0.571 9.342 ( 0.256 -0.305 -0.562) 0.689 9.990 ( -0.317 -0.592 0.404) 0.784 10.091 ( 0.213 0.397 -1.240) 1.319 10.384 ( -1.162 -0.543 1.094) 1.685 10.422 ( -0.084 -0.379 -0.111) 0.404 10.595 ( 0.547 0.390 1.137) 1.320 10.796 ( 1.085 2.831 -1.479) 3.373 ======================= Grid point 141 (62/141) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 1.371 -1.891 0.334) 2.359 0.787 ( 1.924 -0.169 -0.376) 1.968 0.861 ( 1.353 -0.606 -2.493) 2.901 0.933 ( -0.818 5.889 -2.082) 6.299 0.963 ( 0.216 0.772 0.734) 1.087 1.031 ( 3.430 1.621 -3.823) 5.386 1.117 ( 0.696 2.683 -1.169) 3.008 1.218 ( -3.092 1.291 0.968) 3.488 1.245 ( 0.027 -0.097 -2.651) 2.653 1.252 ( 0.376 -1.832 2.271) 2.941 1.419 ( 0.071 -2.367 2.381) 3.358 1.480 ( -3.530 5.627 6.329) 9.175 1.704 ( 2.194 1.999 3.037) 4.246 1.861 ( -1.057 0.452 -1.568) 1.944 1.995 ( 1.603 6.626 -1.121) 6.909 2.034 ( -3.657 -1.304 -0.933) 3.993 2.166 ( 0.560 -3.363 3.837) 5.133 2.685 ( -4.106 -3.467 -3.529) 6.428 3.405 ( 2.104 -4.315 0.142) 4.803 3.457 ( -0.470 -0.671 -0.359) 0.894 4.305 ( 0.061 0.713 0.803) 1.075 4.400 ( 0.863 -1.452 -1.456) 2.230 4.763 ( -1.153 0.506 2.006) 2.369 4.871 ( 1.658 0.069 -0.662) 1.787 4.911 ( -0.632 -0.227 -0.055) 0.674 4.953 ( -0.136 -0.668 -0.748) 1.012 5.115 ( 1.465 2.527 0.767) 3.020 5.224 ( -0.003 -0.280 -1.381) 1.409 9.317 ( -0.196 -0.314 0.366) 0.521 9.347 ( 0.342 -0.007 -0.500) 0.606 10.003 ( -0.036 -0.830 0.567) 1.006 10.082 ( 0.134 0.598 -0.930) 1.114 10.389 ( -0.482 -0.609 0.527) 0.939 10.431 ( -0.062 -0.720 -0.349) 0.803 10.591 ( 0.401 0.710 1.209) 1.458 10.747 ( 0.253 3.065 -1.388) 3.374 ======================= Grid point 142 (63/141) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.401 2.822 1.120) 3.063 0.798 ( 1.238 0.784 -1.558) 2.139 0.825 ( -1.558 1.016 -1.613) 2.462 0.855 ( 0.106 1.471 -1.646) 2.210 0.938 ( -0.098 2.393 1.222) 2.689 1.040 ( -0.146 0.911 -2.365) 2.539 1.083 ( 4.389 1.644 -2.286) 5.214 1.154 ( -3.637 4.031 1.257) 5.573 1.240 ( 0.659 0.350 2.163) 2.288 1.294 ( -0.924 -1.891 2.481) 3.253 1.372 ( -3.411 1.759 5.177) 6.444 1.462 ( 0.551 -0.542 1.401) 1.600 1.653 ( -0.873 3.483 -0.917) 3.706 1.819 ( 0.460 3.622 -3.612) 5.136 1.969 ( 2.426 -0.677 -0.184) 2.525 2.056 ( -0.684 -4.075 -1.261) 4.320 2.283 ( 2.097 -6.650 4.843) 8.490 2.708 ( -1.727 -3.133 -4.479) 5.732 3.441 ( -1.191 1.503 0.675) 2.033 3.485 ( 1.266 -2.861 -0.168) 3.134 4.288 ( -0.399 1.097 0.756) 1.391 4.423 ( 0.884 -0.706 -2.300) 2.564 4.754 ( -0.374 0.212 2.175) 2.217 4.878 ( 0.372 0.022 -0.783) 0.867 4.908 ( -0.640 -0.015 0.460) 0.788 4.969 ( 0.632 -0.952 -0.885) 1.445 5.077 ( -0.423 2.351 1.341) 2.740 5.218 ( 0.330 0.766 -1.744) 1.933 9.322 ( -0.201 -0.379 0.113) 0.444 9.347 ( 0.307 0.192 -0.435) 0.566 10.019 ( 0.141 -0.871 0.541) 1.034 10.070 ( -0.037 0.605 -0.575) 0.836 10.399 ( 0.167 -0.658 0.289) 0.738 10.443 ( -0.222 -0.830 -0.685) 1.099 10.582 ( 0.575 0.937 1.184) 1.616 10.694 ( -0.434 2.570 -1.275) 2.902 ======================= Grid point 143 (64/141) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -0.568 4.162 2.817) 5.058 0.766 ( 1.616 3.055 -0.409) 3.480 0.793 ( -1.111 3.185 -0.995) 3.517 0.859 ( 2.136 0.643 -3.145) 3.856 0.896 ( -2.667 -0.491 -0.219) 2.721 1.010 ( 0.130 2.371 -1.029) 2.588 1.023 ( -2.906 3.920 0.482) 4.903 1.132 ( 3.126 -1.800 1.827) 4.044 1.250 ( 2.420 1.051 4.542) 5.253 1.302 ( 0.071 0.226 0.781) 0.816 1.359 ( -2.423 -0.624 2.537) 3.563 1.467 ( -0.743 -0.815 0.439) 1.187 1.597 ( -0.431 1.285 -3.048) 3.336 1.784 ( 0.379 -0.405 -5.247) 5.276 1.991 ( -2.723 -1.918 1.169) 3.530 2.149 ( 4.377 -3.751 -1.150) 5.878 2.413 ( -2.949 -6.946 4.152) 8.613 2.769 ( 3.815 -3.853 -3.383) 6.391 3.386 ( -2.804 3.019 1.383) 4.346 3.520 ( 0.948 0.006 -0.760) 1.215 4.265 ( -0.329 1.302 0.795) 1.560 4.435 ( 1.163 -0.282 -2.741) 2.991 4.757 ( 0.428 -0.169 1.996) 2.048 4.873 ( -1.031 0.112 -0.436) 1.125 4.905 ( 0.311 0.253 0.133) 0.423 4.990 ( 0.256 -0.963 -0.717) 1.228 5.031 ( -2.044 1.999 1.452) 3.207 5.200 ( 1.395 1.593 -1.693) 2.711 9.326 ( -0.452 -0.284 -0.078) 0.539 9.346 ( 0.337 0.116 -0.355) 0.503 10.036 ( 0.220 -0.701 0.377) 0.825 10.059 ( -0.284 0.385 -0.336) 0.584 10.414 ( 0.480 -0.558 0.335) 0.809 10.453 ( -0.493 -0.717 -0.948) 1.287 10.575 ( 1.318 0.818 1.192) 1.957 10.649 ( -0.815 1.686 -1.249) 2.251 ======================= Grid point 144 (65/141) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 0.880 5.196 2.084) 5.667 0.713 ( 2.620 5.005 0.003) 5.649 0.730 ( -0.203 1.672 -1.090) 2.006 0.831 ( 1.531 2.243 -3.770) 4.646 0.883 ( -0.707 1.647 -2.136) 2.788 0.983 ( -0.196 -2.178 -0.996) 2.403 1.003 ( 1.135 0.343 -1.145) 1.648 1.182 ( 1.629 0.504 5.266) 5.535 1.239 ( 0.466 2.244 5.084) 5.576 1.294 ( 3.793 2.506 -1.929) 4.938 1.367 ( -2.582 -3.440 2.619) 5.036 1.489 ( -1.686 -1.858 2.134) 3.293 1.616 ( 0.004 -4.801 -2.596) 5.458 1.813 ( -0.067 -3.157 -4.813) 5.756 2.002 ( -4.095 -2.622 1.183) 5.004 2.230 ( 2.736 -1.872 -1.006) 3.464 2.481 ( -7.864 -5.797 2.007) 9.974 2.886 ( 6.560 -3.886 -0.775) 7.664 3.298 ( -3.148 4.035 1.398) 5.305 3.500 ( 0.591 2.695 -1.396) 3.092 4.241 ( 0.170 1.417 0.762) 1.618 4.443 ( 0.983 0.124 -2.715) 2.890 4.772 ( 0.842 -0.512 1.266) 1.605 4.862 ( -0.951 -0.074 0.183) 0.972 4.906 ( 1.007 0.177 0.042) 1.023 4.972 ( -3.305 1.516 0.998) 3.771 5.010 ( 0.169 -0.600 -0.789) 1.006 5.182 ( 2.444 2.085 -1.294) 3.463 9.325 ( -0.687 -0.217 -0.085) 0.725 9.347 ( 0.256 0.011 -0.183) 0.314 10.041 ( -0.513 0.179 -0.126) 0.558 10.057 ( 0.202 -0.474 0.058) 0.518 10.425 ( 0.366 -0.268 0.418) 0.617 10.456 ( -0.839 -0.504 -0.972) 1.379 10.585 ( 2.684 -0.020 1.249) 2.961 10.617 ( -0.847 0.859 -1.329) 1.795 ======================= Grid point 149 (66/141) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 2.544 0.000 2.343) 3.458 0.657 ( 3.474 0.000 5.569) 6.564 0.735 ( 2.789 0.000 -0.922) 2.937 0.803 ( 1.274 0.000 -2.040) 2.405 1.107 ( -2.202 -0.000 0.108) 2.205 1.156 ( 5.072 0.000 -0.510) 5.097 1.177 ( 2.115 0.000 2.427) 3.219 1.231 ( -1.844 -0.000 1.972) 2.700 1.245 ( 2.790 0.000 1.074) 2.989 1.306 ( 0.410 0.000 -4.255) 4.275 1.437 ( 1.585 0.000 -4.297) 4.580 1.514 ( 6.019 0.000 -2.962) 6.708 1.769 ( -6.489 -0.000 -1.895) 6.760 1.807 ( -7.191 -0.000 1.321) 7.312 2.152 ( -9.437 -0.000 7.313) 11.939 2.276 ( 2.019 0.000 -0.182) 2.027 2.326 ( -1.573 -0.000 -0.289) 1.600 2.546 ( -3.484 -0.000 -2.493) 4.284 3.210 ( 0.715 0.000 2.444) 2.547 3.354 ( 1.179 0.000 -0.998) 1.544 4.323 ( 2.820 0.000 -0.277) 2.834 4.325 ( -0.417 -0.000 1.987) 2.030 4.793 ( -1.274 -0.000 1.491) 1.961 4.845 ( 2.463 0.000 -0.791) 2.587 4.920 ( 0.564 0.000 -0.629) 0.845 4.948 ( -2.728 -0.000 -0.534) 2.780 5.172 ( 2.377 0.000 -0.676) 2.471 5.195 ( 1.677 0.000 -0.013) 1.677 9.319 ( -0.937 -0.000 0.502) 1.063 9.332 ( 0.508 0.000 -0.866) 1.004 9.980 ( -0.422 -0.000 0.313) 0.526 10.096 ( 0.194 0.000 -1.680) 1.691 10.372 ( -1.388 -0.000 1.989) 2.426 10.418 ( -0.048 -0.000 0.063) 0.079 10.602 ( 0.764 0.000 1.539) 1.718 10.853 ( 1.085 0.000 -2.000) 2.276 ======================= Grid point 150 (67/141) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 1.028 -0.933 1.665) 2.168 0.730 ( -0.776 -4.306 1.937) 4.785 0.770 ( 4.078 -0.629 1.561) 4.412 0.843 ( 1.845 -3.473 -1.669) 4.272 1.084 ( -3.026 0.146 0.047) 3.030 1.129 ( 0.055 4.093 -1.515) 4.365 1.189 ( 1.853 0.688 -0.624) 2.073 1.225 ( -1.400 0.668 -1.398) 2.088 1.281 ( -0.188 0.654 -0.831) 1.074 1.299 ( 0.303 -2.618 1.409) 2.989 1.388 ( 3.941 5.436 -4.508) 8.087 1.584 ( 2.605 -0.944 -2.070) 3.459 1.712 ( -0.806 0.471 0.430) 1.028 1.789 ( -5.898 -2.810 0.959) 6.604 2.084 ( -3.965 1.584 7.523) 8.650 2.227 ( -0.630 5.660 -0.377) 5.707 2.273 ( 0.070 5.207 0.871) 5.280 2.554 ( -1.810 -3.228 -2.536) 4.487 3.247 ( 0.591 -3.188 1.683) 3.653 3.387 ( 0.481 -2.570 -1.169) 2.864 4.320 ( -0.411 0.263 1.428) 1.509 4.352 ( 1.452 -0.940 -0.155) 1.737 4.781 ( -1.123 0.390 1.447) 1.873 4.869 ( 2.669 -0.272 -0.781) 2.794 4.915 ( -0.919 0.518 -0.393) 1.126 4.934 ( -0.881 -0.485 -0.490) 1.119 5.185 ( 1.829 0.816 -0.413) 2.045 5.202 ( 0.131 -0.229 -0.358) 0.444 9.312 ( -0.697 0.018 0.426) 0.818 9.339 ( 0.575 -0.317 -0.629) 0.910 9.981 ( -0.059 -0.317 0.579) 0.663 10.094 ( 0.144 0.115 -1.727) 1.736 10.368 ( -0.989 -0.402 1.665) 1.978 10.419 ( 0.128 -0.051 0.036) 0.142 10.608 ( 0.615 0.260 1.903) 2.017 10.841 ( 0.377 1.708 -2.208) 2.817 ======================= Grid point 151 (68/141) ======================= q-point: (-0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -0.790 -2.079 0.577) 2.298 0.782 ( -1.666 -2.493 0.559) 3.050 0.830 ( 2.350 -2.180 0.078) 3.207 0.931 ( 1.489 -3.672 -1.675) 4.302 1.035 ( -0.358 4.927 -2.142) 5.384 1.059 ( -3.074 -0.002 1.520) 3.430 1.164 ( 1.405 3.716 -2.970) 4.961 1.192 ( -2.477 -0.003 -3.416) 4.220 1.243 ( -2.433 0.937 -1.309) 2.918 1.320 ( 4.385 5.409 -2.770) 7.494 1.371 ( 0.187 -3.779 3.761) 5.334 1.541 ( -3.532 3.562 2.157) 5.461 1.746 ( 1.346 0.168 3.132) 3.413 1.816 ( 1.392 -3.863 0.012) 4.106 2.049 ( -0.607 3.218 2.332) 4.020 2.116 ( -1.594 5.243 1.050) 5.580 2.175 ( 2.449 4.339 3.176) 5.908 2.598 ( -0.738 -3.261 -3.948) 5.174 3.329 ( 0.431 -4.988 0.868) 5.082 3.430 ( -0.148 -2.149 -1.269) 2.500 4.311 ( -0.983 0.291 0.965) 1.408 4.383 ( 1.171 -1.387 -0.406) 1.860 4.767 ( -0.803 0.502 1.519) 1.790 4.886 ( 0.758 0.458 -1.036) 1.363 4.901 ( -0.279 -0.320 0.229) 0.483 4.942 ( 0.512 -0.565 -0.591) 0.965 5.162 ( -0.351 2.152 0.191) 2.189 5.213 ( 0.286 -0.733 -1.000) 1.272 9.310 ( -0.439 -0.246 0.357) 0.617 9.348 ( 0.498 -0.216 -0.421) 0.688 9.992 ( 0.234 -0.604 0.735) 0.980 10.089 ( 0.097 0.320 -1.481) 1.519 10.374 ( -0.444 -0.674 1.040) 1.316 10.422 ( 0.182 -0.247 -0.082) 0.317 10.609 ( 0.534 0.560 1.943) 2.092 10.797 ( -0.373 2.805 -2.150) 3.554 ======================= Grid point 152 (69/141) ======================= q-point: (-0.30 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -0.923 -2.831 -0.347) 2.998 0.781 ( -4.561 -0.036 -0.453) 4.584 0.862 ( 0.863 0.794 0.439) 1.252 0.896 ( 0.488 4.216 -4.018) 5.845 0.987 ( -1.377 2.399 0.880) 2.903 1.067 ( 1.321 -0.391 -2.393) 2.761 1.117 ( 0.565 1.349 -1.655) 2.208 1.165 ( -1.743 -0.025 -3.349) 3.776 1.224 ( -1.897 -1.069 0.033) 2.178 1.275 ( 1.802 1.718 0.495) 2.539 1.416 ( -1.912 2.075 4.885) 5.641 1.464 ( -0.155 0.524 5.363) 5.391 1.703 ( -2.318 3.563 1.953) 4.678 1.897 ( 3.915 2.266 0.074) 4.524 1.975 ( -1.672 2.190 -1.678) 3.226 2.030 ( 2.630 0.482 -1.156) 2.913 2.219 ( 2.782 -3.066 5.695) 7.041 2.646 ( 1.706 -3.060 -5.111) 6.196 3.407 ( -1.985 -3.167 0.178) 3.742 3.458 ( 0.894 -1.818 -0.321) 2.051 4.296 ( -1.278 0.504 0.396) 1.429 4.415 ( 1.318 -1.137 -0.932) 1.975 4.759 ( -0.065 0.218 1.774) 1.788 4.871 ( -1.725 0.119 -0.266) 1.749 4.913 ( 1.442 0.080 -0.359) 1.488 4.958 ( 0.740 -0.743 -0.536) 1.178 5.111 ( -2.106 2.451 0.666) 3.300 5.224 ( 0.498 -0.231 -1.354) 1.461 9.313 ( -0.318 -0.403 0.195) 0.549 9.352 ( 0.324 0.074 -0.308) 0.453 10.008 ( 0.381 -0.768 0.744) 1.135 10.079 ( -0.026 0.578 -1.049) 1.198 10.388 ( 0.154 -0.856 0.505) 1.006 10.430 ( 0.063 -0.450 -0.369) 0.585 10.605 ( 0.658 0.776 1.755) 2.029 10.735 ( -1.040 3.005 -1.903) 3.706 ======================= Grid point 153 (70/141) ======================= q-point: (-0.20 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -4.036 1.914 0.656) 4.515 0.794 ( -0.669 -3.393 -2.212) 4.106 0.817 ( 0.136 2.291 -1.237) 2.607 0.861 ( -1.250 2.049 -0.384) 2.431 0.921 ( 0.372 3.135 0.358) 3.177 1.047 ( 0.663 2.054 -1.879) 2.862 1.085 ( -1.059 3.147 -1.091) 3.495 1.154 ( 1.530 0.809 -1.915) 2.581 1.253 ( -1.190 -2.957 2.552) 4.084 1.294 ( 1.071 -0.932 2.892) 3.221 1.337 ( -2.689 2.305 5.748) 6.751 1.490 ( 1.674 0.745 3.237) 3.719 1.625 ( -1.006 2.840 -1.808) 3.513 1.817 ( 0.563 4.614 -3.842) 6.030 1.941 ( -2.844 -0.358 -0.990) 3.033 2.132 ( 6.646 -3.851 -0.466) 7.695 2.294 ( -2.260 -3.909 3.528) 5.730 2.736 ( 6.259 -4.212 -3.300) 8.234 3.392 ( -4.190 0.957 0.277) 4.307 3.512 ( 1.204 -2.008 0.189) 2.349 4.275 ( -1.145 0.584 -0.081) 1.288 4.439 ( 1.633 -0.420 -1.513) 2.265 4.764 ( 0.808 -0.056 1.866) 2.034 4.856 ( -2.053 -0.193 0.150) 2.068 4.919 ( 1.310 0.398 -0.683) 1.530 4.976 ( 0.341 -0.705 -0.339) 0.854 5.048 ( -3.078 2.221 0.994) 3.924 5.226 ( 0.919 0.377 -1.453) 1.760 9.317 ( -0.388 -0.284 -0.047) 0.483 9.351 ( 0.276 0.174 -0.260) 0.417 10.026 ( 0.419 -0.771 0.633) 1.082 10.066 ( -0.227 0.673 -0.630) 0.949 10.406 ( 0.516 -0.823 0.247) 1.002 10.437 ( -0.177 -0.487 -0.665) 0.843 10.601 ( 1.079 0.706 1.456) 1.945 10.674 ( -1.389 2.378 -1.601) 3.185 ======================= Grid point 154 (71/141) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -1.864 1.597 1.015) 2.657 0.756 ( -1.939 2.040 0.386) 2.840 0.805 ( 2.434 3.075 -0.121) 3.923 0.855 ( -1.761 -2.142 -1.648) 3.226 0.893 ( 2.129 1.477 -3.196) 4.114 0.983 ( -0.837 4.602 0.414) 4.696 1.036 ( 1.792 1.179 0.580) 2.222 1.173 ( 1.043 -2.091 2.278) 3.263 1.282 ( -2.877 -1.104 0.886) 3.206 1.294 ( -0.235 0.428 6.088) 6.108 1.355 ( 2.147 -1.822 1.030) 2.998 1.467 ( 0.349 2.173 0.294) 2.220 1.590 ( 0.655 0.774 -2.174) 2.399 1.778 ( 0.978 -0.113 -4.908) 5.006 1.930 ( -3.551 -1.530 -0.653) 3.921 2.226 ( 3.538 -1.620 -0.425) 3.915 2.334 ( -5.689 -4.256 1.037) 7.180 2.872 ( 7.268 -4.214 -0.438) 8.413 3.324 ( -4.325 2.333 0.740) 4.970 3.532 ( 0.561 0.534 -0.238) 0.810 4.259 ( -0.367 0.521 -0.335) 0.720 4.453 ( 1.421 0.148 -1.715) 2.232 4.778 ( 1.310 -0.165 1.358) 1.894 4.845 ( -1.676 -0.374 0.555) 1.805 4.921 ( 1.291 0.366 -0.496) 1.431 4.972 ( -2.476 1.095 0.618) 2.777 5.003 ( -0.769 0.157 -0.103) 0.791 5.223 ( 1.431 0.837 -1.280) 2.094 9.317 ( -0.442 -0.154 -0.186) 0.504 9.351 ( 0.248 0.131 -0.235) 0.366 10.041 ( 0.173 -0.240 0.358) 0.464 10.053 ( -0.205 0.172 -0.267) 0.378 10.423 ( 0.274 -0.525 0.058) 0.595 10.441 ( -0.301 -0.354 -0.655) 0.803 10.607 ( 1.729 0.130 1.099) 2.053 10.627 ( -1.183 1.355 -1.290) 2.214 ======================= Grid point 160 (72/141) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -2.269 -0.000 -0.062) 2.270 0.687 ( -1.770 -0.000 3.902) 4.285 0.809 ( 4.501 0.000 3.688) 5.819 0.813 ( 0.401 0.000 -1.205) 1.270 1.062 ( -2.548 -0.000 -1.938) 3.201 1.171 ( -2.978 -0.000 -0.433) 3.009 1.179 ( -3.874 -0.000 -0.242) 3.881 1.207 ( 0.378 0.000 -3.286) 3.308 1.275 ( -0.229 -0.000 2.271) 2.282 1.292 ( 0.811 0.000 -2.355) 2.491 1.463 ( 2.664 0.000 -4.129) 4.914 1.591 ( 0.843 0.000 -4.563) 4.641 1.715 ( 3.198 0.000 0.433) 3.227 1.733 ( -1.381 -0.000 1.119) 1.777 2.084 ( -1.182 -0.000 9.358) 9.432 2.300 ( 0.700 0.000 0.156) 0.717 2.305 ( -0.807 -0.000 -0.565) 0.985 2.519 ( 1.201 0.000 -2.245) 2.546 3.223 ( -0.168 -0.000 2.471) 2.477 3.361 ( 0.065 0.000 -1.085) 1.087 4.315 ( -1.471 -0.000 1.185) 1.889 4.354 ( 0.836 0.000 0.233) 0.868 4.779 ( -0.872 -0.000 1.144) 1.438 4.889 ( 2.685 0.000 -0.391) 2.714 4.903 ( -2.152 -0.000 -0.675) 2.255 4.931 ( 0.815 0.000 -0.277) 0.861 5.194 ( 0.455 0.000 -0.364) 0.582 5.204 ( -0.505 -0.000 -0.434) 0.666 9.307 ( -0.633 -0.000 0.225) 0.672 9.341 ( 0.696 0.000 -0.486) 0.849 9.981 ( 0.297 0.000 0.739) 0.797 10.093 ( 0.049 0.000 -1.984) 1.985 10.361 ( -0.630 -0.000 1.806) 1.913 10.421 ( 0.311 0.000 0.191) 0.365 10.619 ( 0.530 0.000 2.405) 2.462 10.852 ( -0.328 -0.000 -2.682) 2.702 ======================= Grid point 161 (73/141) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -3.689 -1.807 0.102) 4.109 0.697 ( -4.046 -3.159 2.834) 5.864 0.827 ( 1.378 -1.374 -0.197) 1.956 0.878 ( 2.548 -3.030 2.634) 4.755 1.029 ( -3.545 0.496 -1.997) 4.099 1.086 ( -3.011 3.050 -1.678) 4.603 1.171 ( -3.028 0.629 -1.891) 3.625 1.185 ( -4.529 -0.508 -3.399) 5.685 1.270 ( -0.223 1.992 -1.039) 2.258 1.315 ( 2.382 -2.452 3.227) 4.701 1.438 ( 3.049 4.087 -3.906) 6.423 1.552 ( -4.392 1.525 -1.670) 4.940 1.747 ( 1.463 -0.543 1.019) 1.863 1.800 ( 8.900 -2.936 0.065) 9.372 2.099 ( 2.337 1.085 7.739) 8.156 2.213 ( -0.824 6.682 0.114) 6.734 2.284 ( 0.784 3.941 0.991) 4.139 2.554 ( 2.663 -1.994 -2.834) 4.370 3.254 ( -0.461 -3.380 1.874) 3.892 3.382 ( -0.495 -2.387 -1.330) 2.777 4.303 ( -1.748 -0.033 0.739) 1.898 4.367 ( 0.138 -1.044 0.521) 1.175 4.771 ( -0.564 0.334 0.973) 1.173 4.879 ( -2.329 0.123 -0.085) 2.334 4.914 ( 2.921 0.119 -0.803) 3.032 4.940 ( 0.932 -0.285 -0.189) 0.993 5.182 ( -1.955 1.238 -0.425) 2.352 5.201 ( -0.094 -0.642 -0.422) 0.774 9.303 ( -0.368 -0.109 0.071) 0.390 9.348 ( 0.541 -0.211 -0.274) 0.642 9.988 ( 0.587 -0.285 0.820) 1.048 10.089 ( -0.025 0.034 -1.934) 1.935 10.363 ( -0.181 -0.405 1.446) 1.513 10.424 ( 0.406 0.027 0.268) 0.487 10.625 ( 0.488 0.306 2.556) 2.620 10.827 ( -1.035 1.684 -2.813) 3.438 ======================= Grid point 162 (74/141) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -4.301 -3.481 -0.516) 5.557 0.715 ( -5.661 -2.337 1.212) 6.244 0.868 ( 1.197 -1.309 0.289) 1.797 0.941 ( 0.702 -0.632 -2.185) 2.380 0.987 ( -4.887 -0.244 -0.818) 4.961 1.029 ( -0.015 0.695 -1.162) 1.354 1.121 ( -2.436 0.835 -2.021) 3.274 1.162 ( -5.089 -2.416 -0.980) 5.717 1.210 ( 0.403 4.101 -1.407) 4.354 1.367 ( 2.662 4.398 -3.011) 5.958 1.404 ( 2.165 -2.274 3.336) 4.582 1.484 ( -3.314 1.799 3.023) 4.833 1.749 ( 1.156 2.278 1.976) 3.229 1.942 ( 9.695 -3.210 0.937) 10.256 2.039 ( -0.803 6.266 -0.582) 6.344 2.100 ( -1.175 6.091 2.176) 6.574 2.251 ( 4.859 1.576 3.958) 6.462 2.616 ( 4.343 -2.533 -3.920) 6.376 3.324 ( -1.433 -4.456 0.987) 4.784 3.419 ( -0.654 -2.570 -1.349) 2.975 4.288 ( -1.873 0.113 0.219) 1.889 4.397 ( 0.478 -1.868 0.378) 1.965 4.765 ( 0.115 0.178 1.074) 1.095 4.857 ( -2.160 0.213 -0.121) 2.174 4.929 ( 1.768 0.286 -0.476) 1.853 4.956 ( 1.396 -0.391 -0.320) 1.485 5.129 ( -3.216 2.110 -0.108) 3.848 5.213 ( -0.379 -0.913 -0.732) 1.230 9.305 ( -0.173 -0.301 0.049) 0.350 9.354 ( 0.219 -0.095 -0.144) 0.279 10.002 ( 0.689 -0.496 0.818) 1.179 10.084 ( -0.103 0.230 -1.573) 1.593 10.376 ( 0.325 -0.744 0.805) 1.143 10.428 ( 0.420 -0.031 0.148) 0.447 10.625 ( 0.556 0.567 2.348) 2.478 10.771 ( -1.785 2.731 -2.607) 4.176 ======================= Grid point 163 (75/141) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -6.290 -1.013 -0.475) 6.389 0.698 ( -2.856 -4.039 -0.632) 4.987 0.855 ( -3.476 2.684 -0.029) 4.392 0.896 ( 0.832 2.906 -5.051) 5.886 0.962 ( -0.036 0.604 1.463) 1.583 1.052 ( -0.892 -1.655 -3.399) 3.885 1.117 ( -0.505 1.020 -1.686) 2.034 1.127 ( -2.564 -1.155 -1.574) 3.223 1.207 ( -0.832 -2.615 3.253) 4.255 1.308 ( 1.834 2.591 -1.577) 3.544 1.389 ( -2.910 3.371 5.850) 7.352 1.506 ( 2.539 -1.465 5.769) 6.471 1.690 ( 0.848 5.089 1.117) 5.279 1.917 ( -0.616 5.483 -1.719) 5.779 1.958 ( -0.565 5.420 -0.423) 5.466 2.116 ( 7.150 -4.221 -0.531) 8.320 2.273 ( 2.237 0.944 2.225) 3.294 2.718 ( 7.765 -4.022 -2.433) 9.077 3.353 ( -4.216 -1.185 -0.153) 4.382 3.470 ( 0.408 -3.449 -0.129) 3.475 4.269 ( -1.755 0.198 -0.391) 1.809 4.435 ( 1.142 -1.469 -0.325) 1.889 4.772 ( 0.948 -0.198 1.301) 1.622 4.837 ( -1.895 0.014 0.111) 1.899 4.934 ( 0.871 0.313 -0.412) 1.014 4.973 ( 1.285 -0.224 -0.369) 1.356 5.059 ( -3.880 2.259 0.394) 4.507 5.223 ( -0.358 -0.756 -1.054) 1.346 9.310 ( -0.097 -0.292 0.010) 0.308 9.354 ( 0.034 0.044 -0.110) 0.124 10.019 ( 0.656 -0.622 0.749) 1.174 10.074 ( -0.237 0.547 -1.035) 1.194 10.396 ( 0.655 -0.882 0.219) 1.120 10.432 ( 0.381 -0.094 -0.124) 0.412 10.623 ( 0.731 0.633 1.859) 2.095 10.700 ( -2.340 2.695 -2.142) 4.163 ======================= Grid point 164 (76/141) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -3.386 -0.363 0.456) 3.436 0.751 ( -4.676 -2.496 -1.282) 5.453 0.782 ( -1.113 -0.358 -0.780) 1.406 0.859 ( 1.194 1.504 -2.463) 3.123 0.945 ( 0.831 2.380 -0.082) 2.522 1.042 ( 0.481 1.388 -1.930) 2.425 1.076 ( -0.592 1.538 -0.297) 1.674 1.156 ( -0.485 -0.965 -2.036) 2.305 1.226 ( -2.553 -1.371 4.598) 5.435 1.314 ( -2.337 2.236 6.705) 7.445 1.333 ( 1.723 -2.179 0.882) 2.914 1.524 ( 0.844 1.997 3.500) 4.117 1.629 ( 1.717 3.013 -0.541) 3.510 1.816 ( 1.073 4.234 -4.074) 5.973 1.900 ( -1.270 0.886 -1.698) 2.298 2.226 ( 3.992 -2.098 -0.455) 4.532 2.266 ( -0.257 0.165 -0.061) 0.311 2.862 ( 8.105 -4.154 0.004) 9.108 3.312 ( -4.921 0.783 0.046) 4.983 3.524 ( 0.237 -1.929 0.099) 1.946 4.254 ( -1.064 -0.099 -0.854) 1.368 4.460 ( 1.116 -0.420 -0.937) 1.516 4.787 ( 0.817 -0.211 0.970) 1.285 4.828 ( -0.697 -0.327 0.687) 1.032 4.934 ( 0.265 0.256 -0.078) 0.377 4.976 ( -0.612 0.972 -0.224) 1.170 5.000 ( -1.836 0.725 0.346) 2.005 5.230 ( -0.120 -0.458 -1.185) 1.276 9.312 ( -0.088 -0.088 -0.138) 0.186 9.354 ( 0.085 0.064 -0.135) 0.172 10.036 ( 0.564 -0.606 0.617) 1.032 10.059 ( -0.355 0.690 -0.567) 0.961 10.413 ( 0.189 -0.546 -0.337) 0.669 10.438 ( 0.620 -0.178 -0.116) 0.655 10.623 ( 0.859 0.355 1.141) 1.471 10.638 ( -2.083 1.663 -1.438) 3.028 ======================= Grid point 171 (77/141) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -5.013 -0.000 0.883) 5.090 0.628 ( -6.278 -0.000 3.886) 7.383 0.807 ( -0.578 -0.000 -1.304) 1.427 0.889 ( 2.827 0.000 5.395) 6.091 0.996 ( -4.927 -0.000 -3.559) 6.078 1.097 ( -8.223 -0.000 -1.702) 8.397 1.110 ( -2.289 -0.000 -1.214) 2.591 1.142 ( -2.710 -0.000 -1.367) 3.036 1.256 ( -2.451 -0.000 2.180) 3.280 1.351 ( 5.152 0.000 -1.866) 5.480 1.487 ( 1.578 0.000 -2.708) 3.134 1.521 ( -4.851 -0.000 -2.254) 5.349 1.778 ( 6.047 0.000 0.044) 6.047 1.857 ( 10.798 0.000 -0.846) 10.831 2.155 ( 5.032 0.000 7.297) 8.864 2.296 ( -1.281 -0.000 0.628) 1.427 2.303 ( 1.392 0.000 -0.133) 1.398 2.563 ( 4.352 0.000 -2.225) 4.888 3.219 ( -1.178 -0.000 2.453) 2.721 3.351 ( -0.882 -0.000 -1.040) 1.363 4.287 ( -1.915 -0.000 0.370) 1.950 4.353 ( -1.113 -0.000 1.236) 1.663 4.771 ( -0.332 -0.000 0.521) 0.618 4.862 ( -2.076 -0.000 0.110) 2.079 4.942 ( 3.324 0.000 -1.045) 3.484 4.945 ( 0.782 0.000 0.204) 0.808 5.176 ( -2.590 -0.000 -0.779) 2.704 5.185 ( -1.512 -0.000 -0.051) 1.513 9.300 ( -0.093 -0.000 -0.280) 0.295 9.350 ( 0.412 0.000 -0.121) 0.429 9.994 ( 0.908 0.000 0.790) 1.203 10.085 ( -0.156 -0.000 -2.129) 2.134 10.362 ( 0.158 0.000 1.525) 1.533 10.429 ( 0.500 0.000 0.574) 0.762 10.636 ( 0.452 0.000 2.887) 2.922 10.826 ( -1.612 -0.000 -3.229) 3.609 ======================= Grid point 172 (78/141) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -6.987 -1.815 0.718) 7.254 0.617 ( -6.295 -3.334 3.292) 7.847 0.827 ( -0.428 -2.896 -1.715) 3.393 0.908 ( -3.706 -0.160 1.282) 3.925 0.954 ( -1.432 -0.691 0.717) 1.744 1.037 ( -7.636 -2.417 -0.882) 8.058 1.066 ( -2.416 1.810 -2.198) 3.735 1.132 ( -0.959 0.913 -0.498) 1.415 1.235 ( -3.202 0.661 0.789) 3.364 1.393 ( 3.866 -1.108 -0.633) 4.071 1.454 ( -0.424 3.109 -3.420) 4.641 1.491 ( 0.070 0.798 1.375) 1.591 1.819 ( 6.313 1.902 -0.309) 6.601 1.974 ( 10.778 -2.697 -0.306) 11.114 2.154 ( 0.693 5.849 1.296) 6.031 2.208 ( -0.359 5.997 2.870) 6.658 2.333 ( 5.809 1.124 2.584) 6.457 2.614 ( 5.213 -1.718 -2.622) 6.083 3.242 ( -1.766 -3.277 1.881) 4.171 3.362 ( -1.353 -2.298 -1.268) 2.952 4.272 ( -1.869 0.009 0.109) 1.872 4.361 ( -1.009 -1.891 1.474) 2.601 4.770 ( 0.206 0.054 0.354) 0.414 4.844 ( -1.786 0.208 0.099) 1.801 4.947 ( 0.806 0.398 0.212) 0.924 4.969 ( 2.814 -0.077 -0.861) 2.944 5.131 ( -3.780 1.565 -0.607) 4.136 5.183 ( -1.940 -1.219 -0.229) 2.303 9.301 ( 0.140 -0.104 -0.365) 0.405 9.353 ( 0.090 -0.098 -0.011) 0.134 10.005 ( 1.007 -0.168 0.714) 1.246 10.081 ( -0.213 -0.060 -1.969) 1.982 10.371 ( 0.539 -0.423 1.139) 1.329 10.434 ( 0.574 0.086 0.706) 0.914 10.641 ( 0.460 0.315 2.797) 2.852 10.789 ( -2.332 1.758 -3.294) 4.402 ======================= Grid point 173 (79/141) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -6.680 -4.939 -1.091) 8.379 0.617 ( -6.331 -2.350 1.311) 6.880 0.844 ( -4.617 0.444 -0.801) 4.707 0.896 ( -1.939 -3.266 -3.851) 5.409 0.970 ( 0.833 0.251 1.074) 1.382 1.016 ( -2.936 -0.048 -1.368) 3.239 1.058 ( -3.969 -4.452 0.903) 6.032 1.104 ( -0.431 0.562 0.303) 0.771 1.179 ( -3.526 1.440 -0.109) 3.810 1.374 ( -1.875 3.266 -3.359) 5.046 1.426 ( 1.708 2.105 1.923) 3.323 1.517 ( 4.253 -1.228 4.947) 6.638 1.809 ( 5.188 4.912 0.522) 7.164 2.010 ( -1.514 7.265 -0.168) 7.423 2.084 ( -1.394 7.790 2.344) 8.254 2.117 ( 9.076 -2.956 -0.872) 9.584 2.356 ( 6.625 3.394 1.527) 7.599 2.714 ( 7.894 -3.835 -1.504) 8.904 3.283 ( -3.760 -2.834 0.451) 4.730 3.402 ( -0.866 -3.764 -0.911) 3.969 4.254 ( -1.978 0.098 -0.044) 1.981 4.404 ( 0.375 -2.722 0.621) 2.817 4.777 ( 0.807 -0.257 0.445) 0.957 4.827 ( -1.151 0.218 0.249) 1.197 4.944 ( 0.126 0.429 0.305) 0.541 4.988 ( 2.379 0.210 -0.845) 2.533 5.062 ( -4.493 2.047 -0.233) 4.943 5.191 ( -1.951 -1.568 -0.548) 2.562 9.306 ( 0.303 -0.242 -0.151) 0.416 9.354 ( -0.188 -0.043 0.048) 0.199 10.018 ( 0.904 -0.333 0.695) 1.189 10.076 ( -0.262 0.159 -1.461) 1.493 10.389 ( 0.914 -0.732 0.454) 1.256 10.438 ( 0.687 0.140 0.511) 0.868 10.641 ( 0.456 0.542 2.269) 2.377 10.720 ( -3.304 2.645 -2.899) 5.131 ======================= Grid point 174 (80/141) ======================= q-point: (-0.10 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -5.207 -3.178 0.162) 6.102 0.631 ( -4.468 -5.154 -1.603) 7.006 0.782 ( -3.672 1.549 -0.780) 4.061 0.882 ( -0.559 1.646 -6.188) 6.427 0.975 ( -0.026 0.218 2.275) 2.286 1.033 ( -0.571 -2.443 -3.319) 4.161 1.063 ( -3.146 0.109 -0.753) 3.236 1.113 ( -0.250 -1.979 0.505) 2.057 1.190 ( -2.663 -3.883 4.016) 6.189 1.302 ( -1.932 1.600 -1.688) 3.024 1.384 ( 0.427 4.030 5.750) 7.035 1.564 ( 1.875 0.795 4.840) 5.251 1.736 ( 3.476 6.822 1.077) 7.732 1.902 ( 0.160 4.570 -3.438) 5.721 1.948 ( -0.056 5.766 0.659) 5.803 2.223 ( 4.549 -2.058 -0.665) 5.037 2.336 ( 5.975 4.408 -0.363) 7.434 2.860 ( 8.362 -4.231 0.313) 9.377 3.270 ( -5.298 -0.616 -0.391) 5.348 3.470 ( -0.291 -4.045 -0.292) 4.066 4.239 ( -1.534 -0.177 -0.419) 1.600 4.450 ( 0.781 -1.597 -0.581) 1.870 4.786 ( -0.268 -0.174 0.229) 0.394 4.827 ( 1.207 -0.313 0.934) 1.558 4.937 ( -0.568 0.297 0.471) 0.796 4.990 ( -2.688 1.618 -0.318) 3.154 5.000 ( 0.595 0.407 -0.344) 0.798 5.202 ( -1.761 -1.558 -0.899) 2.517 9.312 ( 0.376 -0.073 -0.060) 0.388 9.353 ( -0.123 -0.097 0.061) 0.168 10.034 ( 0.797 -0.449 0.643) 1.118 10.066 ( -0.343 0.507 -0.841) 1.040 10.408 ( 0.670 -0.453 -0.084) 0.813 10.443 ( 0.967 0.009 0.095) 0.971 10.638 ( -0.319 0.786 0.874) 1.218 10.644 ( -2.841 1.668 -1.450) 3.600 ======================= Grid point 182 (81/141) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -7.174 -0.000 2.686) 7.660 0.520 ( -7.846 -0.000 5.071) 9.342 0.790 ( -0.792 -0.000 -1.537) 1.730 0.864 ( -6.776 -0.000 -2.388) 7.184 0.900 ( -13.652 -0.000 -0.853) 13.679 0.949 ( 0.161 0.000 5.493) 5.495 1.099 ( 0.841 0.000 -1.782) 1.971 1.119 ( -1.120 -0.000 1.623) 1.972 1.222 ( -1.860 -0.000 1.582) 2.442 1.388 ( -1.495 -0.000 -4.499) 4.740 1.485 ( 2.802 0.000 0.458) 2.839 1.512 ( 2.472 0.000 -1.352) 2.818 1.901 ( 7.533 0.000 -1.064) 7.608 2.037 ( 10.492 0.000 -0.923) 10.532 2.225 ( 1.158 0.000 0.485) 1.256 2.266 ( -2.446 -0.000 1.292) 2.766 2.406 ( 10.332 0.000 3.719) 10.981 2.636 ( 4.976 0.000 -2.278) 5.472 3.198 ( -2.332 -0.000 2.281) 3.262 3.325 ( -1.852 -0.000 -0.814) 2.023 4.261 ( -0.913 -0.000 -0.304) 0.962 4.329 ( -2.311 -0.000 2.724) 3.572 4.773 ( 0.512 0.000 -0.131) 0.529 4.834 ( -1.236 -0.000 0.286) 1.269 4.957 ( 0.446 0.000 0.560) 0.716 4.993 ( 3.103 0.000 -1.203) 3.328 5.114 ( -4.314 -0.000 -0.970) 4.422 5.145 ( -3.206 -0.000 0.218) 3.213 9.302 ( 0.472 0.000 -0.715) 0.857 9.352 ( -0.135 -0.000 0.042) 0.141 10.014 ( 1.228 0.000 0.491) 1.323 10.075 ( -0.295 -0.000 -2.068) 2.089 10.374 ( 0.664 0.000 1.274) 1.437 10.441 ( 0.629 0.000 1.189) 1.345 10.652 ( 0.381 0.000 2.877) 2.902 10.779 ( -2.690 -0.000 -3.874) 4.716 ======================= Grid point 183 (82/141) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -8.295 -1.647 2.120) 8.719 0.512 ( -7.440 -3.284 2.985) 8.663 0.794 ( -6.936 -0.850 -0.696) 7.022 0.811 ( -1.465 -3.130 -1.876) 3.933 0.852 ( -10.952 -5.807 1.190) 12.453 0.965 ( -0.880 -1.119 4.380) 4.606 1.064 ( 0.686 2.289 -1.391) 2.765 1.127 ( -0.545 0.366 0.169) 0.678 1.181 ( -2.553 2.795 -0.332) 3.800 1.369 ( -2.771 -0.215 -2.564) 3.782 1.496 ( 4.046 2.150 -0.734) 4.640 1.544 ( 4.406 -0.772 1.720) 4.793 1.932 ( 6.643 2.728 -1.216) 7.284 2.122 ( 2.650 3.235 1.650) 4.496 2.154 ( 3.345 3.500 -2.866) 5.626 2.209 ( 0.051 4.869 2.596) 5.518 2.488 ( 10.470 2.665 2.115) 11.009 2.708 ( 6.597 -3.459 -1.187) 7.543 3.204 ( -3.512 -2.491 1.453) 4.545 3.330 ( -1.985 -2.631 -0.903) 3.417 4.245 ( -1.357 0.676 0.379) 1.563 4.352 ( -0.399 -3.311 1.915) 3.846 4.780 ( 0.925 -0.107 -0.259) 0.966 4.825 ( -0.357 0.126 0.449) 0.587 4.954 ( -0.112 0.605 0.588) 0.851 5.013 ( 2.671 0.290 -1.198) 2.942 5.054 ( -4.954 1.671 -0.671) 5.272 5.137 ( -3.424 -1.855 -0.050) 3.894 9.306 ( 0.686 -0.084 -0.527) 0.870 9.350 ( -0.350 -0.058 0.105) 0.370 10.025 ( 1.136 -0.005 0.439) 1.218 10.071 ( -0.230 -0.157 -1.748) 1.770 10.387 ( 0.908 -0.509 0.858) 1.349 10.448 ( 0.800 0.104 1.330) 1.556 10.656 ( 0.232 0.345 2.443) 2.478 10.727 ( -3.789 2.118 -3.979) 5.889 ======================= Grid point 184 (83/141) ======================= q-point: (-0.10 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( -6.057 -6.451 -0.833) 8.888 0.505 ( -7.418 -3.755 0.278) 8.319 0.759 ( -4.074 -0.332 -0.910) 4.187 0.855 ( -2.326 -2.858 -4.137) 5.540 0.915 ( -6.291 -7.771 3.688) 10.656 0.976 ( -1.143 -0.484 2.257) 2.576 1.048 ( 0.936 0.222 -2.944) 3.097 1.100 ( -3.019 -0.021 0.434) 3.050 1.115 ( -1.031 1.162 0.679) 1.695 1.326 ( -2.087 2.272 -2.273) 3.832 1.474 ( 2.734 3.759 2.093) 5.098 1.598 ( 3.325 -0.159 3.217) 4.629 1.910 ( 5.659 7.355 0.340) 9.286 1.979 ( -1.676 5.544 -0.108) 5.793 2.072 ( -0.479 7.686 0.981) 7.763 2.234 ( 4.910 -0.965 -0.881) 5.081 2.494 ( 9.486 5.550 0.164) 10.992 2.850 ( 7.732 -4.796 0.455) 9.110 3.204 ( -5.492 -1.563 -0.034) 5.710 3.383 ( -1.083 -4.829 -0.754) 5.007 4.225 ( -1.627 0.181 0.815) 1.829 4.418 ( 1.294 -2.849 -0.270) 3.141 4.784 ( 0.098 0.185 -0.113) 0.238 4.836 ( 2.004 -0.512 0.781) 2.211 4.939 ( -0.985 0.612 0.628) 1.319 4.982 ( -4.630 1.448 -0.204) 4.855 5.023 ( 1.978 0.630 -1.150) 2.373 5.146 ( -3.126 -2.279 -0.459) 3.896 9.315 ( 0.879 -0.133 -0.095) 0.894 9.349 ( -0.282 -0.153 0.240) 0.401 10.037 ( 1.043 -0.199 0.553) 1.197 10.068 ( -0.218 0.153 -1.096) 1.128 10.406 ( 0.934 -0.566 0.209) 1.112 10.455 ( 1.142 0.213 0.791) 1.406 10.640 ( -4.912 2.288 -2.878) 6.136 10.652 ( -0.084 0.557 1.487) 1.590 ======================= Grid point 193 (84/141) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( -7.698 -0.000 5.504) 9.463 0.403 ( -8.232 -0.000 5.402) 9.846 0.652 ( -15.512 -0.000 3.957) 16.009 0.752 ( -5.033 -0.000 -2.417) 5.583 0.773 ( -0.729 -0.000 -1.591) 1.750 0.949 ( -2.275 -0.000 5.186) 5.663 1.097 ( -2.457 -0.000 1.008) 2.655 1.104 ( -0.361 -0.000 -0.380) 0.524 1.214 ( 0.965 0.000 -1.200) 1.540 1.332 ( -2.427 -0.000 -3.549) 4.299 1.561 ( 5.109 0.000 -0.076) 5.109 1.564 ( 3.669 0.000 -0.508) 3.704 1.995 ( 3.627 0.000 -0.609) 3.678 2.193 ( 8.217 0.000 -1.674) 8.385 2.232 ( -1.799 -0.000 1.285) 2.210 2.233 ( 0.488 0.000 -0.618) 0.788 2.620 ( 12.690 0.000 3.298) 13.111 2.717 ( 5.361 0.000 -1.333) 5.524 3.153 ( -3.818 -0.000 1.675) 4.169 3.284 ( -2.743 -0.000 -0.590) 2.806 4.259 ( 0.913 0.000 -0.824) 1.230 4.304 ( -1.566 -0.000 4.825) 5.072 4.790 ( 1.812 0.000 -0.575) 1.901 4.824 ( 0.046 0.000 0.542) 0.543 4.960 ( -0.353 -0.000 0.392) 0.528 5.027 ( -4.420 -0.000 -1.173) 4.573 5.038 ( 1.592 0.000 -1.233) 2.013 5.082 ( -4.197 -0.000 0.481) 4.224 9.312 ( 0.952 0.000 -0.700) 1.182 9.346 ( -0.470 -0.000 0.067) 0.475 10.036 ( 1.261 0.000 0.187) 1.275 10.064 ( -0.190 -0.000 -1.749) 1.759 10.390 ( 0.753 0.000 1.213) 1.428 10.459 ( 0.953 0.000 2.063) 2.272 10.664 ( -0.053 -0.000 2.159) 2.160 10.709 ( -4.125 -0.000 -5.342) 6.749 ======================= Grid point 194 (85/141) ======================= q-point: (-0.10 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( -7.537 -1.753 4.472) 8.938 0.373 ( -10.143 -2.833 1.217) 10.601 0.653 ( -9.396 -9.786 8.830) 16.187 0.726 ( -3.638 -1.800 -2.288) 4.659 0.794 ( -0.657 -3.065 -2.274) 3.873 0.946 ( -2.851 -1.206 3.457) 4.640 1.065 ( -1.527 0.437 -0.922) 1.836 1.076 ( -3.181 1.846 -0.356) 3.695 1.176 ( 1.505 3.986 -2.692) 5.040 1.325 ( -1.339 -0.430 -2.599) 2.955 1.558 ( 3.076 2.645 0.013) 4.057 1.625 ( 4.192 -0.855 0.560) 4.315 2.010 ( 2.160 0.931 0.595) 2.426 2.113 ( -0.170 9.141 0.972) 9.194 2.192 ( 0.500 5.330 -0.803) 5.414 2.266 ( 4.688 -0.159 -0.739) 4.748 2.669 ( 9.931 4.604 0.706) 10.969 2.827 ( 7.355 -4.880 0.984) 8.882 3.131 ( -5.577 -1.217 0.752) 5.758 3.292 ( -2.198 -3.586 -0.814) 4.284 4.229 ( -1.046 1.737 2.267) 3.041 4.373 ( 2.619 -4.218 0.672) 5.011 4.798 ( 1.422 0.763 -0.277) 1.637 4.842 ( 2.137 -0.985 0.485) 2.402 4.943 ( -1.600 0.956 0.286) 1.886 4.966 ( -5.105 1.353 -0.593) 5.315 5.045 ( 0.940 0.368 -1.001) 1.422 5.076 ( -3.062 -2.162 -0.201) 3.754 9.321 ( 1.187 -0.158 -0.217) 1.217 9.344 ( -0.346 -0.167 0.225) 0.446 10.046 ( 1.212 0.056 0.362) 1.266 10.064 ( 0.014 -0.219 -1.282) 1.301 10.404 ( 0.789 -0.566 0.751) 1.227 10.471 ( 1.442 0.132 2.047) 2.507 10.631 ( -6.119 2.561 -4.787) 8.180 10.661 ( -0.442 0.376 1.383) 1.500 ======================= Grid point 204 (86/141) ======================= q-point: (-0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( -11.571 -0.000 2.389) 11.815 0.279 ( -5.797 -0.000 9.673) 11.277 0.451 ( -10.293 -0.000 14.377) 17.682 0.686 ( -1.767 -0.000 -3.563) 3.977 0.758 ( -0.376 -0.000 -1.731) 1.772 0.909 ( -3.976 -0.000 3.902) 5.571 1.035 ( -4.430 -0.000 -1.187) 4.586 1.087 ( -1.336 -0.000 0.616) 1.471 1.237 ( 2.292 0.000 -4.178) 4.765 1.292 ( -1.089 -0.000 -3.132) 3.315 1.611 ( 1.650 0.000 -1.090) 1.978 1.642 ( 3.915 0.000 -1.424) 4.165 2.028 ( 0.500 0.000 2.747) 2.792 2.215 ( -0.423 -0.000 0.048) 0.426 2.239 ( 0.859 0.000 -1.382) 1.627 2.299 ( 4.509 0.000 -1.631) 4.795 2.806 ( 5.106 0.000 0.413) 5.123 2.830 ( 10.556 0.000 2.754) 10.909 3.075 ( -5.972 -0.000 0.483) 5.992 3.232 ( -2.918 -0.000 -0.801) 3.026 4.282 ( 1.892 0.000 -0.923) 2.105 4.327 ( 2.349 0.000 4.838) 5.378 4.832 ( 3.335 0.000 -0.895) 3.453 4.842 ( 1.884 0.000 0.826) 2.057 4.935 ( -3.006 -0.000 -0.647) 3.075 4.936 ( -5.128 -0.000 -0.819) 5.193 5.015 ( -3.712 -0.000 0.876) 3.814 5.066 ( 1.496 0.000 -1.623) 2.207 9.329 ( 1.233 0.000 -0.118) 1.238 9.339 ( -0.352 -0.000 0.105) 0.367 10.058 ( 1.139 0.000 0.314) 1.181 10.059 ( 0.195 0.000 -1.246) 1.261 10.406 ( 0.532 0.000 1.370) 1.469 10.492 ( 2.259 0.000 2.885) 3.664 10.595 ( -7.033 -0.000 -6.303) 9.444 10.661 ( -0.941 -0.000 0.767) 1.214 ======================= Grid point 205 (87/141) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 4.781 0.000 8.286) 9.566 0.495 ( -0.612 -0.000 9.448) 9.468 0.520 ( -1.996 -0.000 -7.263) 7.532 0.648 ( -0.113 -0.000 -2.980) 2.982 0.773 ( -1.703 -0.000 12.756) 12.869 0.917 ( -2.761 -0.000 2.626) 3.810 0.982 ( 2.897 0.000 -2.140) 3.601 1.048 ( 2.105 0.000 -8.665) 8.917 1.123 ( -1.313 -0.000 -0.392) 1.370 1.184 ( 0.895 0.000 -4.367) 4.458 1.591 ( -0.577 -0.000 0.310) 0.656 1.603 ( -2.307 -0.000 -0.587) 2.380 2.138 ( -1.462 -0.000 4.644) 4.869 2.214 ( 1.643 0.000 -2.020) 2.603 2.231 ( 2.045 0.000 0.660) 2.149 2.265 ( -1.779 -0.000 -3.081) 3.558 2.917 ( 1.760 0.000 2.435) 3.005 2.962 ( -3.228 -0.000 -1.611) 3.608 3.058 ( 2.956 0.000 4.523) 5.403 3.143 ( -1.104 -0.000 -3.340) 3.518 4.301 ( -4.938 -0.000 -0.005) 4.938 4.303 ( 2.744 0.000 -0.198) 2.751 4.852 ( -3.609 -0.000 0.157) 3.613 4.864 ( 3.720 0.000 -0.940) 3.837 4.912 ( 3.620 0.000 0.569) 3.664 4.915 ( -1.906 -0.000 0.473) 1.964 4.980 ( -2.503 -0.000 1.915) 3.151 5.030 ( 0.870 0.000 -2.556) 2.700 9.339 ( -0.159 -0.000 0.148) 0.218 9.342 ( 0.206 0.000 -0.077) 0.220 10.050 ( -1.557 -0.000 -0.328) 1.592 10.051 ( 1.266 0.000 -0.374) 1.320 10.455 ( 0.619 0.000 1.713) 1.822 10.475 ( -1.266 -0.000 -0.053) 1.267 10.600 ( 5.157 0.000 0.115) 5.158 10.614 ( -3.495 -0.000 -1.117) 3.669 ======================= Grid point 206 (88/141) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 6.593 -2.711 6.690) 9.776 0.460 ( 0.510 2.960 9.056) 9.541 0.525 ( 0.944 -2.200 -6.511) 6.937 0.642 ( 1.533 1.227 -7.637) 7.885 0.864 ( -0.943 -6.293 10.122) 11.956 0.918 ( -0.157 -2.135 3.936) 4.481 1.007 ( 4.848 0.552 -2.446) 5.458 1.065 ( 1.947 -0.388 -3.280) 3.833 1.121 ( 1.703 -0.729 -1.299) 2.263 1.183 ( 1.467 0.175 -5.924) 6.105 1.569 ( -3.723 0.338 1.315) 3.963 1.582 ( -2.369 0.163 0.675) 2.468 2.090 ( -1.975 4.909 3.760) 6.492 2.176 ( 0.087 5.672 -1.094) 5.777 2.207 ( 0.006 2.898 1.698) 3.359 2.237 ( -0.967 0.511 -3.811) 3.965 2.844 ( -8.336 3.981 0.970) 9.288 2.952 ( 0.718 -0.532 -0.178) 0.912 3.108 ( 0.930 -2.170 2.698) 3.585 3.195 ( 3.290 -4.463 -2.593) 6.121 4.256 ( -3.818 0.245 2.084) 4.357 4.335 ( 1.676 -1.046 -1.067) 2.245 4.817 ( -2.415 0.729 0.179) 2.529 4.883 ( 4.239 1.227 -0.557) 4.448 4.911 ( -2.050 -1.192 -0.267) 2.386 4.962 ( 0.858 -0.966 0.382) 1.347 4.967 ( 0.627 -0.571 1.618) 1.827 5.035 ( 1.205 -0.395 -1.787) 2.192 9.338 ( -0.742 -0.104 0.052) 0.751 9.348 ( 0.309 -0.375 0.023) 0.487 10.038 ( -1.531 -0.147 -0.105) 1.541 10.062 ( 1.060 -0.115 -0.288) 1.104 10.455 ( -0.114 0.588 1.433) 1.553 10.468 ( -0.291 0.074 0.022) 0.301 10.583 ( -2.643 0.157 -1.772) 3.186 10.630 ( 5.072 1.412 0.205) 5.269 ======================= Grid point 207 (89/141) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 2.424 -1.977 5.564) 6.383 0.560 ( 5.190 -3.424 3.601) 7.185 0.586 ( 3.627 -3.220 -5.064) 7.011 0.621 ( 2.618 0.487 -8.862) 9.253 0.902 ( 0.612 0.257 3.743) 3.801 1.012 ( 0.665 -1.123 1.794) 2.219 1.039 ( 3.787 0.795 2.279) 4.490 1.088 ( 0.942 -4.400 -1.287) 4.680 1.153 ( 4.220 0.237 -0.013) 4.226 1.223 ( 1.470 -4.559 -4.868) 6.829 1.521 ( -4.702 1.140 1.018) 4.944 1.568 ( -0.552 0.250 2.682) 2.749 1.958 ( -1.141 8.742 2.390) 9.134 2.019 ( -2.510 10.062 0.010) 10.370 2.140 ( -2.128 4.118 -0.262) 4.642 2.226 ( -0.032 -0.133 -1.298) 1.305 2.687 ( -10.724 4.724 0.379) 11.724 2.966 ( 1.373 -0.081 -0.272) 1.402 3.166 ( -0.602 -3.815 0.783) 3.940 3.308 ( 3.491 -5.032 -1.306) 6.262 4.236 ( -2.250 -0.455 1.910) 2.986 4.363 ( 1.607 -0.879 -1.276) 2.232 4.793 ( -0.925 0.315 0.061) 0.979 4.892 ( 2.867 1.154 0.117) 3.093 4.919 ( -0.983 -1.197 -0.469) 1.619 4.948 ( -2.322 0.142 2.182) 3.189 4.996 ( 0.954 -0.043 -1.523) 1.797 5.078 ( 3.597 -2.131 -0.531) 4.215 9.331 ( -0.972 0.065 0.021) 0.975 9.354 ( 0.139 -0.040 0.167) 0.221 10.030 ( -1.165 -0.327 0.222) 1.230 10.068 ( 0.592 0.143 -0.331) 0.693 10.444 ( -0.466 0.407 0.652) 0.899 10.460 ( -0.432 0.629 -0.019) 0.763 10.566 ( -0.886 -0.297 -1.728) 1.965 10.642 ( 4.209 1.607 0.546) 4.538 ======================= Grid point 208 (90/141) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 2.490 -3.028 0.639) 3.972 0.635 ( 3.025 -3.333 -4.869) 6.631 0.672 ( 3.475 -3.476 0.711) 4.966 0.691 ( 3.742 -4.452 -2.263) 6.241 0.899 ( 0.649 1.399 3.050) 3.418 0.984 ( -0.408 2.584 -1.281) 2.913 1.046 ( 4.010 1.291 1.187) 4.377 1.172 ( 2.546 -2.301 -5.386) 6.386 1.219 ( 1.260 -4.370 3.223) 5.575 1.315 ( 1.084 -4.348 0.382) 4.498 1.467 ( -2.263 1.537 2.632) 3.796 1.573 ( 1.245 0.138 3.215) 3.450 1.769 ( -0.043 12.873 1.183) 12.927 1.827 ( -2.764 7.662 -0.941) 8.200 2.030 ( -4.077 5.085 -0.940) 6.585 2.231 ( -0.062 -0.475 -0.564) 0.740 2.506 ( -11.069 5.186 -0.431) 12.231 2.977 ( 1.411 0.187 0.174) 1.434 3.226 ( -0.768 -3.473 -0.154) 3.560 3.417 ( 2.326 -4.561 -0.376) 5.133 4.235 ( -0.864 -0.572 0.433) 1.123 4.392 ( 1.562 -1.064 -0.798) 2.052 4.789 ( 0.264 -0.070 -0.090) 0.287 4.891 ( 0.236 0.620 0.783) 1.026 4.931 ( 1.213 0.950 0.486) 1.616 4.932 ( -2.486 -1.501 0.748) 2.999 4.995 ( 0.126 0.185 -0.986) 1.011 5.145 ( 3.300 -1.994 -0.702) 3.919 9.321 ( -0.705 0.226 -0.054) 0.742 9.352 ( -0.027 0.238 0.178) 0.298 10.030 ( -0.747 -0.446 0.395) 0.956 10.067 ( 0.250 0.348 -0.328) 0.540 10.436 ( -0.617 0.345 -0.210) 0.737 10.443 ( -0.473 0.473 0.136) 0.683 10.569 ( 0.163 -0.532 -1.086) 1.220 10.648 ( 3.011 1.320 0.472) 3.322 ======================= Grid point 209 (91/141) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 1.035 -1.713 0.102) 2.004 0.727 ( 2.332 -4.419 -2.293) 5.497 0.759 ( 2.464 -3.414 -0.403) 4.230 0.785 ( 1.721 -3.310 -1.125) 3.896 0.867 ( -1.211 2.289 1.713) 3.105 0.955 ( 0.368 -0.208 0.816) 0.920 1.068 ( 3.076 -0.008 0.549) 3.124 1.214 ( 0.163 -1.681 -4.223) 4.548 1.300 ( 1.249 -3.261 1.436) 3.775 1.369 ( 0.370 -0.264 2.601) 2.640 1.455 ( 0.986 -0.891 3.516) 3.759 1.534 ( -1.759 10.945 3.440) 11.607 1.587 ( 2.335 2.515 0.015) 3.431 1.719 ( 0.973 2.970 -3.073) 4.384 1.906 ( -4.530 4.030 -1.949) 6.368 2.234 ( -0.762 -0.014 -0.496) 0.909 2.338 ( -8.004 3.727 -0.952) 8.880 2.983 ( 1.103 0.443 0.678) 1.368 3.269 ( -0.437 -1.914 -0.162) 1.970 3.498 ( 1.037 -2.979 0.080) 3.155 4.238 ( -0.128 -0.171 -0.614) 0.650 4.422 ( 1.091 -1.022 -0.453) 1.562 4.796 ( 0.571 -0.158 -0.071) 0.597 4.877 ( -0.634 0.639 1.175) 1.481 4.927 ( -1.612 -0.817 0.721) 1.946 4.944 ( 1.303 0.046 -0.075) 1.306 4.991 ( -0.089 0.109 -0.437) 0.459 5.194 ( 1.891 -1.061 -0.860) 2.332 9.312 ( -0.303 0.221 -0.132) 0.397 9.349 ( -0.014 0.128 0.044) 0.137 10.034 ( -0.390 -0.477 0.311) 0.690 10.061 ( 0.135 0.350 -0.159) 0.407 10.418 ( -0.746 0.624 -0.561) 1.123 10.442 ( 0.055 -0.141 0.195) 0.247 10.579 ( 0.098 -0.464 -0.613) 0.775 10.649 ( 1.735 0.864 0.302) 1.961 ======================= Grid point 210 (92/141) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -0.556 -0.074 0.047) 0.563 0.772 ( 0.023 1.192 0.428) 1.267 0.790 ( 0.055 1.249 -1.141) 1.693 0.823 ( -0.829 1.083 0.305) 1.397 0.858 ( 1.790 -3.582 -1.662) 4.335 0.998 ( -0.036 -2.265 0.422) 2.305 1.085 ( 0.396 0.144 0.320) 0.529 1.202 ( -0.829 2.538 1.615) 3.120 1.328 ( -0.976 1.197 3.271) 3.617 1.370 ( 0.149 2.858 -0.850) 2.985 1.390 ( -1.612 -1.681 2.368) 3.322 1.522 ( 2.269 -3.472 1.142) 4.302 1.570 ( 0.350 -0.271 -0.605) 0.750 1.707 ( 1.554 0.511 -2.850) 3.286 1.834 ( -0.968 0.376 -2.097) 2.340 2.213 ( -0.878 -0.152 -0.663) 1.111 2.273 ( -0.421 0.181 -0.263) 0.529 2.984 ( 0.678 0.439 0.867) 1.185 3.282 ( -0.056 0.208 0.156) 0.265 3.533 ( -0.084 -0.377 -0.118) 0.404 4.236 ( 0.055 0.288 -0.561) 0.634 4.439 ( 0.140 -0.392 -0.748) 0.856 4.798 ( -0.421 0.122 0.304) 0.533 4.871 ( 0.908 0.304 0.907) 1.319 4.929 ( -2.173 -1.000 0.525) 2.449 4.952 ( 1.810 0.448 -0.377) 1.902 4.989 ( -0.255 -0.078 -0.183) 0.324 5.209 ( 0.130 0.093 -0.807) 0.822 9.308 ( 0.041 0.039 -0.132) 0.144 9.348 ( 0.021 -0.095 -0.124) 0.158 10.039 ( -0.163 -0.335 -0.039) 0.375 10.057 ( 0.170 0.233 0.124) 0.314 10.406 ( -0.218 0.103 -0.321) 0.401 10.445 ( 0.303 -0.017 -0.046) 0.307 10.583 ( -0.598 -0.251 -0.413) 0.769 10.649 ( 0.544 0.262 0.227) 0.645 ======================= Grid point 211 (93/141) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -1.935 1.364 0.620) 2.447 0.685 ( -2.349 6.177 1.207) 6.718 0.759 ( -0.965 2.644 -0.267) 2.828 0.793 ( -1.471 1.662 -1.908) 2.927 0.918 ( 1.191 -2.414 -2.580) 3.728 0.989 ( -0.066 1.589 -2.382) 2.864 1.071 ( -2.019 0.258 0.508) 2.098 1.137 ( -1.551 2.750 2.124) 3.806 1.286 ( -1.623 1.977 2.726) 3.738 1.374 ( -0.761 2.508 1.491) 3.015 1.437 ( -2.026 -5.218 5.031) 7.526 1.561 ( -0.261 -3.510 -0.938) 3.643 1.663 ( -0.290 -7.934 -0.615) 7.963 1.709 ( 1.209 -1.147 -4.927) 5.201 1.881 ( 3.978 -3.832 -0.093) 5.524 2.234 ( 0.564 -0.527 -0.523) 0.933 2.318 ( 6.784 -3.585 0.641) 7.699 2.981 ( 0.004 0.387 0.811) 0.899 3.261 ( 0.262 2.297 0.481) 2.361 3.508 ( -1.050 2.470 -0.758) 2.789 4.230 ( 0.240 0.325 0.045) 0.407 4.434 ( -0.864 0.432 -1.439) 1.733 4.789 ( -0.847 0.200 0.515) 1.011 4.881 ( 2.286 0.361 0.840) 2.462 4.925 ( -3.050 -1.015 0.484) 3.250 4.958 ( 2.054 0.607 -0.905) 2.325 4.988 ( -0.224 -0.171 -0.200) 0.346 5.191 ( -1.633 1.140 -0.644) 2.093 9.311 ( 0.366 -0.191 -0.067) 0.418 9.351 ( 0.040 -0.208 -0.169) 0.271 10.042 ( 0.024 -0.103 -0.432) 0.445 10.057 ( 0.260 0.088 0.299) 0.406 10.410 ( 0.352 -0.483 0.125) 0.611 10.447 ( 0.510 0.079 -0.324) 0.610 10.575 ( -1.459 0.028 -0.308) 1.492 10.650 ( -0.531 -0.358 0.188) 0.667 ======================= Grid point 212 (94/141) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -3.569 5.551 0.814) 6.649 0.555 ( -2.479 5.167 3.285) 6.606 0.690 ( -3.134 1.922 -3.044) 4.773 0.735 ( -2.169 2.487 -3.483) 4.798 0.957 ( -1.296 -1.864 -2.219) 3.175 0.977 ( 1.257 -0.582 -1.045) 1.735 1.046 ( -3.159 0.589 2.771) 4.243 1.105 ( -2.137 -0.305 -0.442) 2.203 1.243 ( -1.037 3.117 1.869) 3.780 1.269 ( -2.330 6.095 2.761) 7.085 1.491 ( 0.643 -1.978 1.055) 2.332 1.620 ( -1.446 -2.072 -0.606) 2.598 1.807 ( 1.092 -9.525 -0.326) 9.593 1.820 ( 1.527 -9.280 -2.084) 9.633 1.998 ( 3.883 -4.729 1.513) 6.304 2.237 ( 0.420 0.010 -1.012) 1.096 2.488 ( 10.918 -5.824 1.068) 12.420 2.971 ( -0.842 0.541 0.695) 1.219 3.212 ( 0.413 3.610 0.926) 3.750 3.431 ( -1.945 4.565 -1.451) 5.170 4.232 ( 0.795 -0.055 0.640) 1.022 4.409 ( -1.360 0.856 -2.151) 2.685 4.783 ( -0.116 -0.091 0.366) 0.394 4.894 ( 2.742 0.821 0.661) 2.938 4.915 ( -3.944 -1.027 0.640) 4.126 4.959 ( 1.010 0.691 -0.141) 1.232 4.994 ( 0.755 -0.391 -1.233) 1.498 5.143 ( -3.079 1.881 -0.505) 3.643 9.320 ( 0.703 -0.269 -0.011) 0.752 9.355 ( 0.077 -0.126 -0.024) 0.150 10.043 ( 0.321 0.065 -0.729) 0.799 10.059 ( 0.292 -0.039 0.339) 0.449 10.425 ( 0.592 -0.459 0.588) 0.952 10.454 ( 0.653 -0.512 -0.592) 1.019 10.557 ( -1.944 0.326 -0.019) 1.971 10.652 ( -1.531 -0.802 0.054) 1.729 ======================= Grid point 213 (95/141) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( -3.574 2.781 6.106) 7.603 0.448 ( -3.135 4.713 5.727) 8.052 0.643 ( -3.368 0.568 -4.769) 5.866 0.670 ( -1.747 1.144 -7.186) 7.483 0.952 ( -1.540 0.537 -0.105) 1.634 0.991 ( -3.006 0.980 2.002) 3.742 1.026 ( -0.929 -0.828 3.139) 3.377 1.073 ( -3.351 3.887 2.076) 5.536 1.117 ( -1.060 3.411 1.027) 3.716 1.227 ( -0.558 0.680 -4.114) 4.207 1.536 ( 1.759 -1.848 -0.268) 2.565 1.626 ( 0.118 -0.050 -2.319) 2.323 1.988 ( -0.624 -9.568 1.736) 9.744 2.001 ( 3.219 -8.743 -0.094) 9.318 2.098 ( 1.840 -3.480 2.179) 4.499 2.246 ( 0.965 -0.683 -2.145) 2.449 2.681 ( 10.835 -5.179 0.860) 12.040 2.955 ( -0.843 0.392 0.639) 1.128 3.149 ( -0.161 3.787 1.834) 4.211 3.320 ( -2.744 5.205 -2.032) 6.225 4.248 ( 1.394 -0.422 1.053) 1.797 4.379 ( -1.353 0.768 -2.703) 3.118 4.794 ( 1.236 -0.577 0.004) 1.364 4.894 ( -3.939 -0.891 -0.134) 4.041 4.903 ( 2.594 1.391 0.972) 3.100 4.952 ( -0.578 0.345 1.329) 1.489 5.008 ( 1.291 -0.462 -2.166) 2.564 5.076 ( -3.785 2.118 -0.401) 4.356 9.331 ( 0.919 -0.118 0.007) 0.927 9.355 ( -0.015 0.225 0.106) 0.249 10.043 ( 0.710 0.234 -0.901) 1.170 10.063 ( 0.014 -0.106 0.210) 0.236 10.435 ( 0.599 -0.154 0.974) 1.154 10.476 ( 0.156 -1.484 -0.983) 1.787 10.536 ( -0.816 0.470 0.921) 1.317 10.650 ( -2.465 -0.908 -0.219) 2.636 ======================= Grid point 214 (96/141) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( -0.666 3.459 7.558) 8.339 0.438 ( -2.008 -3.331 11.074) 11.738 0.576 ( -3.512 1.893 -5.903) 7.124 0.657 ( -0.579 -0.777 -6.884) 6.952 0.860 ( -2.200 8.222 10.738) 13.702 0.947 ( -4.002 0.302 2.288) 4.620 0.979 ( -1.699 0.572 -0.570) 1.881 1.052 ( 1.105 0.374 -3.727) 3.905 1.113 ( -0.634 -1.790 -0.840) 2.077 1.199 ( -0.847 0.746 -5.949) 6.055 1.577 ( 1.168 -1.208 -0.140) 1.686 1.620 ( -0.009 0.472 -2.162) 2.213 2.110 ( -1.038 -3.987 4.536) 6.127 2.157 ( 2.818 -5.687 0.107) 6.348 2.168 ( 1.313 -3.309 -0.544) 3.602 2.265 ( 0.256 -1.041 -2.765) 2.966 2.842 ( 7.999 -3.497 1.230) 8.816 2.951 ( 0.255 -0.415 -0.235) 0.541 3.087 ( -1.269 3.007 3.671) 4.912 3.208 ( -2.896 4.057 -2.775) 5.705 4.272 ( 1.681 -0.678 0.857) 2.005 4.347 ( -2.142 0.898 -2.420) 3.355 4.825 ( 2.754 -0.975 -0.502) 2.964 4.874 ( -4.262 -0.928 0.237) 4.369 4.902 ( 3.253 1.626 0.389) 3.658 4.939 ( -1.778 0.545 1.657) 2.490 5.010 ( -3.107 0.914 0.444) 3.269 5.025 ( 0.823 0.086 -2.625) 2.753 9.338 ( 0.738 0.076 0.004) 0.742 9.347 ( -0.217 0.506 0.084) 0.557 10.044 ( 1.060 0.294 -0.728) 1.319 10.061 ( -0.816 -0.037 -0.167) 0.834 10.445 ( 0.559 -0.197 1.450) 1.566 10.486 ( -1.876 -0.568 -0.827) 2.127 10.551 ( 3.498 -0.714 1.222) 3.773 10.639 ( -3.234 -0.592 -0.584) 3.339 ======================= Grid point 216 (97/141) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 1.560 0.000 -4.992) 5.230 0.490 ( 7.106 0.000 6.205) 9.434 0.553 ( 3.058 0.000 5.586) 6.368 0.657 ( 2.492 0.000 -5.259) 5.819 0.812 ( 2.060 0.000 12.481) 12.650 0.925 ( 2.848 0.000 2.873) 4.045 1.058 ( 5.913 0.000 -3.919) 7.094 1.064 ( 3.239 0.000 -9.661) 10.190 1.118 ( 0.511 0.000 1.946) 2.012 1.213 ( 4.219 0.000 -3.462) 5.458 1.531 ( -5.853 -0.000 2.569) 6.392 1.557 ( -3.726 -0.000 1.569) 4.043 2.124 ( -1.659 -0.000 3.394) 3.777 2.177 ( -6.505 -0.000 -2.231) 6.877 2.245 ( -0.851 -0.000 0.913) 1.248 2.251 ( 2.589 0.000 -2.830) 3.835 2.835 ( -9.701 -0.000 0.220) 9.703 2.872 ( -6.719 -0.000 0.749) 6.761 3.146 ( 4.144 0.000 2.844) 5.026 3.170 ( 4.498 0.000 -2.690) 5.241 4.229 ( -2.922 -0.000 1.712) 3.386 4.339 ( 1.295 0.000 1.159) 1.738 4.806 ( -1.807 -0.000 0.002) 1.807 4.879 ( -1.785 -0.000 -0.901) 2.000 4.930 ( 2.844 0.000 0.147) 2.847 4.963 ( 0.560 0.000 1.865) 1.947 4.980 ( 3.801 0.000 -0.774) 3.879 5.036 ( 1.078 0.000 -1.021) 1.485 9.333 ( -0.596 -0.000 -0.133) 0.611 9.343 ( 0.079 0.000 -0.037) 0.087 10.023 ( -1.349 -0.000 -0.038) 1.349 10.069 ( 0.804 0.000 -0.264) 0.846 10.459 ( -0.984 -0.000 -0.189) 1.002 10.470 ( 0.165 0.000 2.407) 2.413 10.562 ( -1.582 -0.000 -1.836) 2.424 10.686 ( 4.825 0.000 -1.049) 4.938 ======================= Grid point 217 (98/141) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 3.051 0.319 2.077) 3.705 0.560 ( 4.613 -1.343 1.214) 4.956 0.595 ( 6.720 -0.886 3.310) 7.543 0.658 ( 2.996 1.427 -7.446) 8.152 0.912 ( 3.262 -4.072 7.778) 9.366 0.967 ( 4.466 -1.305 3.085) 5.583 1.074 ( 3.587 0.581 -4.429) 5.729 1.108 ( 3.765 0.650 0.598) 3.867 1.142 ( 1.656 -2.965 -4.541) 5.671 1.224 ( 4.666 2.196 -2.993) 5.962 1.487 ( -5.672 -0.142 3.314) 6.570 1.542 ( -3.309 -1.613 1.879) 4.133 2.044 ( -6.077 4.656 0.490) 7.671 2.127 ( -2.637 2.987 -0.079) 3.985 2.197 ( -2.745 2.411 2.269) 4.301 2.237 ( 2.013 3.348 -2.873) 4.849 2.680 ( -10.930 4.889 0.459) 11.982 2.878 ( -7.813 -4.871 -0.249) 9.210 3.164 ( 3.953 0.350 0.924) 4.075 3.257 ( 3.868 -4.063 -0.818) 5.669 4.219 ( -0.698 -0.276 1.599) 1.767 4.357 ( 0.689 -0.752 0.843) 1.324 4.793 ( -0.550 0.174 -0.152) 0.596 4.872 ( -1.954 -0.910 -0.809) 2.302 4.932 ( -0.505 0.742 2.210) 2.385 4.974 ( 4.216 1.201 -0.226) 4.390 5.000 ( 0.570 0.110 -1.654) 1.753 5.072 ( 3.606 -1.808 0.055) 4.035 9.325 ( -0.706 0.129 -0.166) 0.737 9.349 ( -0.096 -0.431 -0.026) 0.443 10.016 ( -1.047 -0.262 0.260) 1.110 10.073 ( 0.299 0.014 -0.579) 0.652 10.446 ( -0.969 0.341 -0.055) 1.029 10.467 ( -0.922 0.500 1.755) 2.044 10.557 ( 0.553 -0.193 -1.124) 1.267 10.707 ( 4.034 1.490 -1.006) 4.416 ======================= Grid point 218 (99/141) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 4.615 -1.763 2.971) 5.765 0.630 ( 4.397 -1.705 -3.874) 6.103 0.653 ( 3.860 -0.406 -5.956) 7.109 0.684 ( 6.298 -1.622 2.325) 6.907 0.962 ( 4.348 2.243 3.424) 5.971 1.033 ( 1.823 1.903 -0.376) 2.662 1.088 ( -0.003 -3.599 -1.984) 4.110 1.114 ( 3.717 1.437 1.648) 4.313 1.226 ( 3.652 -1.118 -0.855) 3.914 1.232 ( 1.237 -3.751 -2.878) 4.887 1.458 ( -3.287 -0.413 3.495) 4.815 1.564 ( -0.624 -2.185 2.279) 3.218 1.897 ( -7.336 5.283 -0.515) 9.055 1.988 ( 0.664 10.810 1.684) 10.961 2.122 ( -1.209 6.180 0.929) 6.365 2.198 ( -2.553 -0.665 -1.254) 2.922 2.499 ( -11.219 4.946 0.008) 12.261 2.897 ( -7.724 -4.713 -0.495) 9.063 3.209 ( 4.134 -1.328 0.025) 4.342 3.358 ( 2.667 -4.310 -0.479) 5.091 4.228 ( 0.861 -0.326 0.631) 1.116 4.379 ( 0.342 -1.135 0.417) 1.256 4.793 ( 0.763 -0.103 -0.306) 0.828 4.872 ( -1.991 -1.072 -0.596) 2.338 4.911 ( -1.598 0.931 2.379) 3.013 4.987 ( 4.157 1.452 -0.845) 4.483 4.995 ( 0.240 0.215 -0.588) 0.670 5.137 ( 3.298 -1.947 -0.273) 3.840 9.318 ( -0.451 0.071 -0.096) 0.466 9.352 ( -0.369 -0.114 0.088) 0.396 10.016 ( -0.745 -0.491 0.606) 1.079 10.071 ( -0.011 0.149 -0.811) 0.825 10.434 ( -0.797 0.159 -0.233) 0.845 10.448 ( -1.166 0.665 0.847) 1.587 10.569 ( 1.424 -0.142 -0.127) 1.437 10.704 ( 3.089 1.990 -0.785) 3.757 ======================= Grid point 219 (100/141) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 4.724 -1.085 1.061) 4.961 0.683 ( 4.661 -2.307 -5.755) 7.757 0.718 ( 2.199 -3.211 -0.762) 3.965 0.764 ( 4.797 -1.669 0.820) 5.145 0.923 ( 0.642 4.200 0.942) 4.352 0.997 ( 2.115 2.956 0.180) 3.639 1.100 ( 1.203 0.929 -0.279) 1.545 1.162 ( 0.253 -2.819 -3.274) 4.328 1.266 ( 2.105 -1.913 0.903) 2.985 1.324 ( -0.375 -4.607 0.960) 4.720 1.457 ( -0.425 -0.534 3.274) 3.344 1.604 ( 1.132 -0.953 3.408) 3.715 1.732 ( -5.103 8.111 0.939) 9.628 1.817 ( 3.169 8.969 -1.195) 9.587 1.978 ( -2.207 7.813 -0.534) 8.136 2.198 ( -3.506 -2.016 -0.249) 4.052 2.329 ( -9.160 4.017 -0.376) 10.009 2.908 ( -7.936 -4.149 -0.605) 8.976 3.271 ( 4.783 -1.266 -0.402) 4.964 3.447 ( 1.242 -3.804 0.139) 4.005 4.242 ( 1.630 0.012 -0.495) 1.703 4.403 ( -0.160 -1.381 0.312) 1.425 4.804 ( 1.299 0.027 -0.246) 1.323 4.875 ( -1.776 -1.213 -0.564) 2.223 4.886 ( -1.537 0.582 2.100) 2.666 4.984 ( -0.066 0.272 -0.746) 0.797 5.002 ( 3.888 1.388 0.252) 4.136 5.187 ( 1.868 -1.273 -0.666) 2.357 9.314 ( -0.025 0.159 -0.101) 0.190 9.349 ( -0.371 0.044 0.122) 0.393 10.022 ( -0.446 -0.603 0.741) 1.054 10.066 ( -0.069 0.226 -0.746) 0.783 10.421 ( -0.896 0.528 -0.241) 1.068 10.436 ( -0.487 -0.200 0.184) 0.558 10.581 ( 1.158 0.108 0.380) 1.224 10.690 ( 1.953 1.922 -0.729) 2.836 ======================= Grid point 220 (101/141) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 3.256 1.196 0.729) 3.544 0.755 ( 0.965 -2.299 -1.249) 2.788 0.790 ( 1.478 -1.947 -2.859) 3.762 0.821 ( 3.517 -2.074 -0.532) 4.117 0.872 ( 1.577 2.149 2.111) 3.400 0.964 ( -0.241 1.105 0.928) 1.463 1.092 ( -0.427 0.557 -0.406) 0.811 1.197 ( -0.172 -1.644 -2.729) 3.191 1.315 ( -0.248 -1.967 1.343) 2.395 1.372 ( -0.896 -0.888 1.774) 2.177 1.478 ( -0.415 -1.162 2.476) 2.766 1.519 ( -1.001 9.767 3.419) 10.396 1.624 ( 2.261 3.446 1.659) 4.443 1.733 ( 1.299 2.931 -4.634) 5.634 1.852 ( -0.839 3.328 -1.642) 3.804 2.199 ( -2.380 -0.946 0.208) 2.570 2.242 ( -3.070 -0.897 0.118) 3.200 2.908 ( -8.391 -3.839 -0.820) 9.264 3.323 ( 5.349 0.372 -0.139) 5.364 3.507 ( -0.097 -2.317 0.429) 2.358 4.250 ( 1.723 0.589 -0.780) 1.981 4.421 ( -1.020 -1.083 -0.150) 1.495 4.805 ( 0.307 0.658 0.502) 0.883 4.879 ( -1.283 -0.729 1.816) 2.340 4.883 ( -0.141 -0.793 -1.242) 1.480 4.979 ( -0.580 -0.093 -0.250) 0.638 5.008 ( 3.800 1.693 0.418) 4.182 5.208 ( 0.138 -0.220 -0.897) 0.934 9.312 ( 0.339 0.197 -0.150) 0.420 9.346 ( -0.275 -0.038 0.020) 0.279 10.030 ( -0.209 -0.549 0.582) 0.827 10.061 ( -0.027 0.167 -0.469) 0.498 10.407 ( -0.408 0.295 -0.133) 0.521 10.441 ( -0.171 -0.481 -0.229) 0.559 10.584 ( 0.473 0.419 0.555) 0.841 10.670 ( 0.794 1.489 -0.696) 1.825 ======================= Grid point 221 (102/141) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 2.132 2.389 0.930) 3.334 0.753 ( -1.171 2.231 -0.038) 2.520 0.790 ( -0.306 0.471 -1.643) 1.737 0.822 ( 0.010 3.641 0.997) 3.775 0.905 ( 3.967 -0.793 -2.241) 4.625 0.995 ( -0.071 -2.965 0.275) 2.979 1.064 ( -2.536 1.296 -0.269) 2.861 1.183 ( -2.484 2.858 1.846) 4.212 1.309 ( -2.148 1.906 3.592) 4.599 1.371 ( -0.792 0.954 4.150) 4.331 1.377 ( 0.229 0.407 -1.772) 1.832 1.542 ( 0.412 -3.740 -0.019) 3.762 1.569 ( -0.629 2.114 -1.771) 2.829 1.697 ( -1.028 0.587 -4.607) 4.756 1.867 ( 5.167 -2.394 0.118) 5.696 2.206 ( -2.703 -1.750 -0.043) 3.221 2.303 ( 6.133 -4.376 1.482) 7.679 2.901 ( -8.697 -3.805 -0.903) 9.535 3.342 ( 5.348 2.642 0.458) 5.982 3.522 ( -1.190 0.189 -0.123) 1.212 4.250 ( 1.699 0.913 -0.096) 1.931 4.420 ( -1.981 -0.353 -1.100) 2.293 4.793 ( -0.177 0.690 0.998) 1.226 4.882 ( -2.455 -0.971 0.414) 2.672 4.901 ( 2.131 -0.350 -0.532) 2.224 4.976 ( -0.802 -0.304 0.042) 0.859 5.010 ( 3.625 1.712 0.330) 4.022 5.194 ( -1.544 0.918 -0.944) 2.030 9.314 ( 0.591 0.029 -0.134) 0.607 9.346 ( -0.267 -0.215 -0.141) 0.371 10.038 ( -0.024 -0.346 0.220) 0.411 10.059 ( -0.007 0.033 -0.181) 0.184 10.406 ( 0.224 -0.290 0.139) 0.392 10.447 ( 0.000 -0.340 -0.527) 0.627 10.576 ( -0.165 0.719 0.652) 0.984 10.650 ( -0.264 0.840 -0.690) 1.119 ======================= Grid point 222 (103/141) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.801 4.342 1.548) 4.679 0.670 ( -0.192 6.418 1.676) 6.636 0.729 ( -2.127 4.609 -1.479) 5.287 0.766 ( -0.858 2.762 -2.205) 3.636 0.932 ( 0.960 -0.354 -1.492) 1.809 1.003 ( 3.309 1.709 -3.134) 4.867 1.018 ( -4.104 0.270 0.007) 4.113 1.094 ( -4.218 2.160 1.972) 5.133 1.282 ( 0.296 1.438 3.061) 3.395 1.352 ( -2.251 3.428 2.441) 4.772 1.431 ( -0.408 -5.427 3.945) 6.722 1.542 ( -0.997 -2.149 -2.753) 3.632 1.654 ( -1.214 -8.313 0.751) 8.434 1.704 ( 0.783 -3.387 -5.858) 6.812 1.980 ( 6.960 -3.538 1.250) 7.907 2.210 ( -3.119 -1.659 -0.718) 3.605 2.477 ( 10.664 -6.140 2.100) 12.483 2.891 ( -8.772 -3.530 -0.832) 9.492 3.322 ( 4.725 4.626 1.306) 6.740 3.479 ( -2.015 2.950 -1.362) 3.824 4.251 ( 1.847 0.702 1.091) 2.257 4.399 ( -2.383 0.231 -2.345) 3.351 4.787 ( 0.351 0.254 0.984) 1.075 4.872 ( -2.821 -0.437 -0.332) 2.873 4.923 ( 2.114 -0.099 0.391) 2.152 4.975 ( -0.556 -0.156 0.017) 0.578 5.011 ( 3.248 1.405 -0.002) 3.539 5.149 ( -2.856 1.849 -0.978) 3.540 9.321 ( 0.763 -0.249 -0.027) 0.804 9.349 ( -0.328 -0.385 -0.208) 0.547 10.043 ( 0.212 -0.183 -0.091) 0.294 10.059 ( -0.095 -0.090 -0.073) 0.150 10.419 ( 0.493 -0.663 0.489) 0.961 10.451 ( 0.144 -0.246 -0.777) 0.827 10.560 ( -0.244 0.888 0.920) 1.302 10.634 ( -1.200 0.201 -0.827) 1.471 ======================= Grid point 223 (104/141) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -0.301 6.651 2.725) 7.194 0.553 ( 0.919 6.944 3.973) 8.053 0.633 ( -1.877 2.641 -4.917) 5.889 0.695 ( -1.133 3.575 -4.764) 6.063 0.938 ( 0.190 -0.424 -0.377) 0.598 0.977 ( -4.598 0.443 1.080) 4.744 1.018 ( 2.455 -0.309 -0.386) 2.504 1.064 ( -1.465 -0.907 -1.699) 2.420 1.232 ( -1.974 7.487 4.394) 8.903 1.261 ( 1.191 2.627 0.353) 2.906 1.508 ( 0.970 -2.847 1.311) 3.282 1.580 ( -2.774 -3.101 -1.469) 4.413 1.807 ( -1.519 -10.147 2.008) 10.454 1.834 ( 1.517 -10.011 -2.913) 10.536 2.090 ( 5.108 -2.453 2.414) 6.159 2.215 ( -2.156 -1.875 -2.211) 3.613 2.679 ( 10.436 -5.791 2.086) 12.116 2.877 ( -8.059 -3.258 -0.893) 8.738 3.267 ( 3.313 5.809 2.592) 7.172 3.386 ( -2.211 4.944 -2.935) 6.160 4.260 ( 1.355 0.231 2.555) 2.901 4.370 ( -1.663 0.370 -3.826) 4.188 4.796 ( 1.360 -0.452 0.723) 1.605 4.851 ( -2.999 -0.194 -0.508) 3.048 4.939 ( 1.048 0.070 1.485) 1.819 4.970 ( 0.750 0.810 -0.138) 1.112 5.016 ( 1.954 0.626 -0.433) 2.097 5.083 ( -3.171 2.319 -1.253) 4.123 9.334 ( 0.832 -0.358 0.133) 0.916 9.352 ( -0.507 -0.313 -0.163) 0.618 10.048 ( 0.484 -0.116 -0.251) 0.558 10.059 ( -0.404 -0.099 -0.148) 0.441 10.434 ( 0.279 -0.529 0.780) 0.983 10.458 ( 0.115 -0.555 -0.944) 1.102 10.550 ( 0.942 0.614 1.486) 1.863 10.619 ( -1.994 -0.227 -1.150) 2.313 ======================= Grid point 224 (105/141) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 0.735 2.664 7.540) 8.031 0.467 ( 2.718 5.272 6.364) 8.700 0.587 ( -0.863 2.041 -6.840) 7.190 0.628 ( -0.040 0.450 -8.796) 8.807 0.923 ( -3.975 0.732 3.006) 5.037 0.966 ( 2.824 -0.233 -0.522) 2.881 1.018 ( -1.893 3.665 5.618) 6.970 1.064 ( 1.998 1.701 -1.438) 2.992 1.112 ( 0.274 2.061 1.242) 2.422 1.217 ( 0.960 2.930 -5.126) 5.982 1.559 ( 0.706 -1.709 1.470) 2.362 1.593 ( -3.179 -1.587 -1.516) 3.864 1.973 ( -1.826 -9.181 3.458) 9.979 2.025 ( 1.019 -10.196 -1.278) 10.326 2.157 ( 1.791 -1.738 3.119) 3.994 2.232 ( -0.816 -1.681 -3.698) 4.144 2.829 ( -0.848 -4.075 2.984) 5.121 2.886 ( 1.277 -3.298 -2.334) 4.238 3.185 ( 0.346 5.754 4.085) 7.065 3.274 ( -0.141 5.454 -4.127) 6.841 4.268 ( -1.061 -0.236 3.494) 3.659 4.348 ( 0.174 0.690 -4.309) 4.367 4.824 ( -1.016 -1.098 0.541) 1.591 4.835 ( 1.019 -0.425 -0.543) 1.230 4.939 ( -1.043 0.411 1.758) 2.085 4.964 ( 2.992 1.518 -0.317) 3.370 5.001 ( -3.442 1.152 0.558) 3.672 5.035 ( 1.437 0.972 -2.227) 2.823 9.345 ( 0.440 -0.090 0.226) 0.503 9.348 ( -0.554 0.081 -0.103) 0.569 10.051 ( -0.922 -0.007 -0.039) 0.923 10.056 ( 0.669 0.085 -0.497) 0.838 10.445 ( 0.059 -0.406 1.169) 1.239 10.466 ( -0.328 -0.563 -0.802) 1.033 10.570 ( 3.482 -0.656 1.597) 3.886 10.603 ( -2.563 -0.339 -1.529) 3.004 ======================= Grid point 227 (106/141) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 5.442 0.000 -2.428) 5.960 0.612 ( 5.290 0.000 6.132) 8.099 0.623 ( 2.906 0.000 3.800) 4.783 0.685 ( 2.502 0.000 -5.351) 5.907 0.919 ( 6.288 0.000 6.281) 8.888 1.022 ( 7.089 0.000 1.414) 7.228 1.091 ( 2.965 0.000 -7.367) 7.941 1.131 ( 4.442 0.000 -4.681) 6.453 1.153 ( 2.324 0.000 4.064) 4.682 1.292 ( 5.711 0.000 -3.048) 6.473 1.441 ( -5.861 -0.000 4.458) 7.364 1.484 ( -5.196 -0.000 1.183) 5.329 2.032 ( -9.211 -0.000 -2.331) 9.501 2.082 ( -5.168 -0.000 2.194) 5.614 2.228 ( -0.496 -0.000 0.573) 0.758 2.287 ( 2.162 0.000 -1.337) 2.542 2.654 ( -11.823 -0.000 1.948) 11.982 2.735 ( -8.796 -0.000 -1.600) 8.940 3.208 ( 2.256 0.000 2.967) 3.727 3.241 ( 4.353 0.000 -2.046) 4.809 4.222 ( 1.239 0.000 1.105) 1.660 4.356 ( 0.382 0.000 1.630) 1.674 4.789 ( -0.208 -0.000 -0.457) 0.502 4.851 ( -1.170 -0.000 -0.502) 1.273 4.935 ( -1.200 -0.000 2.308) 2.602 5.000 ( -0.473 -0.000 -1.627) 1.694 5.027 ( 4.918 0.000 -0.769) 4.977 5.086 ( 4.221 0.000 0.324) 4.233 9.320 ( -0.738 -0.000 -0.656) 0.987 9.344 ( 0.002 0.000 0.097) 0.097 10.006 ( -0.823 -0.000 0.376) 0.904 10.072 ( -0.057 -0.000 -1.000) 1.002 10.439 ( -1.118 -0.000 -0.332) 1.167 10.463 ( -1.790 -0.000 2.096) 2.757 10.567 ( 2.156 0.000 0.350) 2.184 10.749 ( 3.220 0.000 -1.913) 3.745 ======================= Grid point 228 (107/141) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 5.996 -0.074 1.634) 6.215 0.634 ( 3.453 -0.486 1.384) 3.752 0.686 ( 3.100 0.839 -6.402) 7.163 0.710 ( 5.187 -2.549 4.192) 7.139 0.997 ( 4.104 -1.793 1.908) 4.868 1.078 ( 7.212 0.871 0.953) 7.327 1.114 ( 2.850 1.889 -3.792) 5.106 1.150 ( 0.705 -1.991 -3.304) 3.922 1.174 ( 3.318 0.829 1.072) 3.584 1.288 ( 3.049 3.080 -1.585) 4.615 1.414 ( -4.365 -1.372 4.375) 6.331 1.497 ( -1.904 -4.251 0.543) 4.689 1.905 ( -8.748 3.869 -0.813) 9.600 2.067 ( -6.386 -2.487 0.819) 6.902 2.170 ( 0.042 6.213 1.969) 6.518 2.262 ( 1.317 4.445 -1.461) 4.861 2.495 ( -10.875 4.949 1.536) 12.046 2.727 ( -9.188 -5.585 -1.286) 10.829 3.225 ( 2.711 -0.284 1.608) 3.165 3.311 ( 2.793 -3.468 -1.126) 4.593 4.240 ( 2.401 -0.077 0.453) 2.444 4.366 ( 0.117 -0.543 1.378) 1.486 4.794 ( 0.720 -0.410 -0.663) 1.061 4.846 ( -1.050 -0.380 -0.061) 1.118 4.920 ( -1.249 0.825 1.815) 2.352 4.988 ( -1.139 0.149 -1.033) 1.545 5.054 ( 4.870 1.192 -0.661) 5.057 5.135 ( 3.477 -1.335 0.017) 3.724 9.314 ( -0.344 -0.095 -0.591) 0.690 9.345 ( -0.350 -0.178 0.181) 0.432 10.004 ( -0.603 -0.320 0.716) 0.989 10.069 ( -0.216 -0.013 -1.330) 1.347 10.429 ( -0.903 0.135 -0.367) 0.984 10.446 ( -1.780 0.353 1.545) 2.383 10.587 ( 2.397 0.184 1.405) 2.784 10.757 ( 2.478 1.380 -2.067) 3.510 ======================= Grid point 229 (108/141) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 5.989 -1.037 2.724) 6.660 0.688 ( 3.033 -2.199 -1.383) 3.993 0.698 ( 3.808 -0.189 -5.673) 6.835 0.801 ( 6.566 -1.192 2.555) 7.145 1.019 ( 1.557 3.850 -1.120) 4.301 1.049 ( -1.416 2.225 -3.108) 4.076 1.108 ( 4.760 1.523 0.571) 5.030 1.171 ( 2.178 1.363 0.137) 2.573 1.225 ( -0.820 -5.139 -1.085) 5.315 1.274 ( 1.522 0.419 0.086) 1.581 1.429 ( -1.665 -2.197 3.040) 4.104 1.569 ( 0.697 -3.893 0.565) 3.995 1.774 ( -5.951 3.678 0.447) 7.010 2.023 ( 2.370 8.551 0.698) 8.901 2.062 ( -6.627 0.940 2.809) 7.259 2.161 ( -0.969 5.525 -1.541) 5.817 2.330 ( -8.323 4.435 1.463) 9.543 2.745 ( -9.259 -5.330 -1.770) 10.829 3.275 ( 3.428 -2.178 0.611) 4.108 3.391 ( 1.475 -3.697 -0.796) 4.060 4.263 ( 2.929 0.106 -0.247) 2.941 4.380 ( -0.434 -0.896 1.080) 1.468 4.811 ( 1.428 -0.525 -0.776) 1.708 4.844 ( -1.403 -0.509 0.655) 1.630 4.896 ( -0.666 0.979 0.923) 1.501 4.976 ( -1.340 -0.046 -0.469) 1.421 5.069 ( 4.586 1.570 -0.347) 4.860 5.181 ( 1.893 -1.124 -0.335) 2.226 9.315 ( 0.164 -0.116 -0.331) 0.387 9.344 ( -0.555 -0.117 0.225) 0.610 10.009 ( -0.385 -0.571 1.018) 1.229 10.065 ( -0.184 0.027 -1.354) 1.367 10.419 ( -0.746 0.168 -0.223) 0.797 10.430 ( -1.175 0.147 0.729) 1.391 10.602 ( 1.896 0.542 1.728) 2.622 10.740 ( 1.666 2.109 -1.969) 3.331 ======================= Grid point 230 (109/141) ======================= q-point: ( 0.50 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 5.057 0.307 1.446) 5.268 0.733 ( 1.720 -1.376 -1.225) 2.520 0.756 ( 3.420 -2.807 -3.566) 5.682 0.857 ( 5.793 1.406 0.749) 6.008 0.935 ( 1.295 4.135 -0.310) 4.344 1.006 ( -2.015 1.759 -0.790) 2.789 1.102 ( 0.622 1.819 0.029) 1.922 1.169 ( 0.309 -0.432 -3.526) 3.566 1.284 ( -0.133 -1.576 0.942) 1.841 1.309 ( -1.696 -4.305 1.212) 4.783 1.459 ( -0.364 -1.463 1.771) 2.326 1.607 ( -2.731 1.089 2.201) 3.673 1.699 ( 2.262 1.985 2.010) 3.619 1.868 ( 1.663 10.486 -0.668) 10.638 1.946 ( -0.816 7.638 -0.586) 7.704 2.113 ( -6.257 -2.923 -0.512) 6.925 2.233 ( -1.619 1.208 2.572) 3.270 2.748 ( -9.827 -4.617 -2.706) 11.190 3.350 ( 4.278 -2.185 -0.067) 4.804 3.458 ( 0.060 -3.122 0.078) 3.123 4.281 ( 2.883 0.662 -0.601) 3.018 4.392 ( -1.227 -0.990 0.500) 1.654 4.822 ( 0.445 0.571 0.503) 0.881 4.844 ( -1.268 -0.966 0.611) 1.707 4.888 ( 1.057 -0.024 -0.416) 1.137 4.966 ( -1.420 -0.232 -0.132) 1.445 5.075 ( 4.105 1.828 0.216) 4.499 5.202 ( 0.161 -0.388 -0.797) 0.901 9.318 ( 0.499 0.068 -0.152) 0.526 9.342 ( -0.475 -0.095 0.124) 0.500 10.019 ( -0.187 -0.655 1.055) 1.256 10.061 ( -0.097 0.072 -1.113) 1.119 10.408 ( -0.601 0.304 0.238) 0.714 10.428 ( -0.489 -0.529 -0.278) 0.772 10.605 ( 1.209 0.893 1.675) 2.251 10.708 ( 0.758 2.239 -1.764) 2.949 ======================= Grid point 231 (110/141) ======================= q-point: ( 0.60 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 4.189 2.524 1.111) 5.015 0.759 ( 0.249 -0.508 -0.473) 0.737 0.791 ( 0.209 0.526 -2.192) 2.264 0.873 ( 0.280 0.877 -0.085) 0.925 0.931 ( 3.247 -1.889 2.256) 4.381 0.959 ( 2.378 2.491 -1.099) 3.615 1.064 ( -2.510 1.394 -0.282) 2.885 1.175 ( -2.006 -1.103 -3.856) 4.484 1.306 ( -1.152 -0.975 2.550) 2.963 1.353 ( -1.551 -1.738 1.097) 2.575 1.463 ( -0.839 2.810 2.752) 4.022 1.529 ( -0.130 2.884 3.594) 4.610 1.650 ( -0.569 7.742 0.326) 7.769 1.722 ( 0.267 4.759 -6.210) 7.828 1.883 ( 4.730 -0.400 0.141) 4.749 2.120 ( -6.182 -3.509 -0.262) 7.114 2.286 ( 6.437 -3.937 3.607) 8.363 2.738 ( -10.216 -4.602 -3.322) 11.687 3.410 ( 4.603 -0.149 -0.083) 4.606 3.497 ( -1.316 -1.706 0.495) 2.211 4.287 ( 2.550 1.116 -0.051) 2.784 4.391 ( -2.065 -0.545 -0.767) 2.269 4.809 ( -0.365 0.815 1.836) 2.042 4.853 ( -0.692 -0.700 -0.549) 1.127 4.908 ( 1.885 -0.627 -0.589) 2.072 4.960 ( -1.424 -0.442 -0.022) 1.491 5.075 ( 3.588 1.934 0.884) 4.171 5.194 ( -1.332 0.605 -1.280) 1.944 9.321 ( 0.665 0.151 -0.107) 0.691 9.340 ( -0.425 -0.099 -0.056) 0.440 10.031 ( -0.024 -0.550 0.799) 0.970 10.058 ( -0.082 0.047 -0.742) 0.748 10.404 ( 0.052 -0.119 0.324) 0.349 10.435 ( -0.372 -0.677 -0.654) 1.013 10.597 ( 0.674 1.164 1.508) 2.020 10.672 ( -0.106 1.892 -1.532) 2.437 ======================= Grid point 232 (111/141) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 3.514 3.936 1.876) 5.600 0.746 ( 0.339 2.114 0.213) 2.152 0.776 ( -0.621 1.627 -1.838) 2.532 0.804 ( -2.102 3.362 -0.691) 4.025 0.949 ( 1.461 0.730 -0.107) 1.636 0.995 ( -2.194 0.593 -0.525) 2.332 1.050 ( 3.944 -1.420 -0.732) 4.256 1.120 ( -5.139 4.278 1.080) 6.773 1.299 ( -0.264 0.604 3.668) 3.727 1.357 ( -1.148 -0.322 0.474) 1.283 1.398 ( 1.408 1.901 2.988) 3.811 1.536 ( -1.757 2.302 -4.100) 5.019 1.544 ( -1.001 -2.579 3.084) 4.143 1.665 ( -0.048 0.058 -6.577) 6.577 1.984 ( 7.346 -3.338 1.438) 8.196 2.128 ( -5.577 -3.179 -0.924) 6.486 2.457 ( 9.428 -6.369 4.263) 12.150 2.731 ( -9.616 -4.778 -3.646) 11.340 3.425 ( 3.430 2.530 1.246) 4.440 3.493 ( -1.745 0.677 -0.874) 2.066 4.287 ( 2.012 1.135 1.424) 2.714 4.375 ( -2.062 -0.057 -2.528) 3.263 4.799 ( 0.072 0.473 2.081) 2.135 4.851 ( -0.814 0.012 -1.269) 1.507 4.931 ( 0.923 -0.486 0.482) 1.149 4.960 ( -0.567 -0.714 -0.716) 1.159 5.071 ( 2.735 1.872 1.676) 3.714 5.157 ( -1.962 1.620 -1.919) 3.187 9.325 ( 0.710 -0.022 -0.036) 0.711 9.339 ( -0.503 -0.229 -0.243) 0.604 10.040 ( 0.157 -0.372 0.436) 0.594 10.056 ( -0.204 -0.018 -0.426) 0.472 10.413 ( 0.503 -0.526 0.534) 0.902 10.442 ( -0.357 -0.590 -0.918) 1.148 10.583 ( 0.638 1.210 1.435) 1.983 10.637 ( -0.809 1.304 -1.423) 2.093 ======================= Grid point 233 (112/141) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 0.937 6.307 2.902) 7.006 0.685 ( 0.927 5.310 1.070) 5.496 0.692 ( -0.274 5.381 -2.117) 5.789 0.748 ( -0.134 3.531 -3.464) 4.949 0.939 ( -2.726 0.474 1.410) 3.105 0.958 ( 0.516 0.886 -0.696) 1.239 1.018 ( -3.936 1.084 1.162) 4.245 1.081 ( 5.929 1.707 -4.044) 7.377 1.309 ( 1.368 0.720 3.644) 3.958 1.323 ( -1.877 3.556 2.081) 4.528 1.439 ( -0.391 -4.535 3.613) 5.811 1.522 ( 0.259 -1.155 -3.184) 3.397 1.618 ( -3.393 -8.296 2.521) 9.310 1.709 ( 1.700 -5.251 -5.522) 7.808 2.085 ( 1.218 -2.545 2.897) 4.044 2.148 ( -0.332 -3.102 -2.945) 4.290 2.642 ( 1.827 -6.370 5.179) 8.411 2.747 ( -1.443 -4.655 -4.466) 6.610 3.380 ( -0.338 4.496 3.019) 5.426 3.445 ( 0.241 3.459 -3.011) 4.592 4.282 ( -0.082 0.903 3.016) 3.149 4.359 ( 0.228 0.143 -4.136) 4.144 4.800 ( 0.029 -0.115 2.021) 2.025 4.839 ( -0.030 0.434 -1.631) 1.688 4.938 ( -1.117 -0.314 1.699) 2.057 4.974 ( 1.075 -0.626 -1.620) 2.042 5.053 ( -0.952 1.891 2.473) 3.255 5.109 ( 0.801 2.296 -2.702) 3.635 9.333 ( 0.317 -0.342 0.184) 0.501 9.339 ( -0.352 -0.370 -0.359) 0.624 10.048 ( 0.095 -0.197 0.239) 0.324 10.054 ( -0.206 -0.107 -0.315) 0.391 10.428 ( 0.414 -0.540 0.690) 0.969 10.447 ( -0.318 -0.546 -1.033) 1.211 10.575 ( 1.435 0.788 1.538) 2.247 10.608 ( -1.253 0.746 -1.524) 2.109 ======================= Grid point 234 (113/141) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 0.711 6.077 2.878) 6.761 0.603 ( 3.080 5.843 3.447) 7.451 0.610 ( 1.662 2.973 -5.296) 6.297 0.669 ( 0.492 4.333 -5.856) 7.302 0.907 ( -2.790 0.254 2.489) 3.747 0.977 ( 3.141 -0.868 0.308) 3.274 1.009 ( -1.707 -1.640 -0.144) 2.371 1.103 ( 5.451 0.502 -3.716) 6.617 1.217 ( -1.272 6.834 3.628) 7.842 1.289 ( 1.746 3.587 0.166) 3.993 1.513 ( -2.914 -3.856 1.028) 4.941 1.544 ( 0.804 -1.119 1.168) 1.806 1.781 ( -1.881 -11.448 1.935) 11.762 1.848 ( 0.611 -9.524 -1.768) 9.706 2.112 ( -4.349 -2.861 1.095) 5.319 2.205 ( 2.862 -1.459 -1.887) 3.726 2.689 ( -10.295 -5.078 1.234) 11.545 2.876 ( 8.760 -3.993 -0.868) 9.666 3.277 ( -3.534 5.494 2.188) 6.890 3.376 ( 2.557 5.120 -2.524) 6.255 4.262 ( -2.231 0.643 2.605) 3.489 4.361 ( 2.232 0.402 -3.357) 4.052 4.800 ( -1.460 -0.203 0.538) 1.569 4.848 ( 2.928 -0.410 -0.284) 2.971 4.934 ( -1.409 -0.187 1.563) 2.112 4.988 ( 1.124 -0.211 -1.634) 1.995 4.997 ( -4.044 1.872 1.331) 4.651 5.087 ( 3.614 2.291 -1.396) 4.501 9.336 ( -0.982 -0.321 -0.054) 1.034 9.348 ( 0.501 -0.343 0.152) 0.626 10.044 ( -0.918 0.145 0.115) 0.937 10.060 ( 0.585 -0.262 -0.218) 0.678 10.439 ( -0.007 -0.339 0.745) 0.819 10.453 ( -0.343 -0.634 -0.882) 1.139 10.584 ( -1.205 0.363 -1.566) 2.009 10.591 ( 2.864 -0.302 1.327) 3.171 ======================= Grid point 238 (114/141) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 6.500 0.000 -1.433) 6.656 0.669 ( 1.587 0.000 3.591) 3.926 0.706 ( 1.743 0.000 -3.882) 4.255 0.717 ( 4.965 0.000 5.717) 7.573 1.033 ( 5.611 0.000 -0.516) 5.635 1.102 ( 1.713 0.000 -6.218) 6.450 1.153 ( 5.705 0.000 2.361) 6.174 1.182 ( 3.254 0.000 -4.936) 5.912 1.210 ( 2.721 0.000 3.206) 4.205 1.364 ( -4.660 -0.000 3.193) 5.649 1.371 ( 4.278 0.000 -2.081) 4.757 1.407 ( -3.521 -0.000 0.402) 3.544 1.873 ( -8.481 -0.000 -0.807) 8.519 1.967 ( -8.528 -0.000 1.461) 8.653 2.240 ( 1.498 0.000 -0.010) 1.498 2.309 ( 0.649 0.000 -0.217) 0.684 2.468 ( -10.912 -0.000 4.652) 11.862 2.585 ( -7.569 -0.000 -3.318) 8.264 3.246 ( 1.226 0.000 3.007) 3.247 3.295 ( 2.745 0.000 -1.988) 3.389 4.263 ( 3.120 0.000 -0.045) 3.120 4.365 ( 0.036 0.000 1.586) 1.586 4.795 ( 1.179 0.000 -0.937) 1.506 4.837 ( -0.611 -0.000 0.535) 0.812 4.920 ( -1.072 -0.000 1.251) 1.647 4.976 ( -1.735 -0.000 -0.798) 1.909 5.103 ( 4.201 0.000 -0.607) 4.245 5.152 ( 3.258 0.000 -0.059) 3.258 9.310 ( -0.062 -0.000 -0.906) 0.908 9.341 ( -0.474 -0.000 0.383) 0.609 9.998 ( -0.409 -0.000 0.925) 1.012 10.065 ( -0.256 -0.000 -1.698) 1.717 10.422 ( -0.702 -0.000 -0.415) 0.815 10.436 ( -1.882 -0.000 1.728) 2.555 10.614 ( 2.403 0.000 2.568) 3.517 10.783 ( 1.763 0.000 -2.835) 3.338 ======================= Grid point 239 (115/141) ======================= q-point: ( 0.40 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 1.566 -1.061 0.414) 1.936 0.697 ( 6.629 0.115 2.977) 7.267 0.714 ( 2.283 -0.164 -4.775) 5.295 0.804 ( 4.222 -3.531 4.433) 7.067 1.051 ( 2.629 1.917 -2.847) 4.323 1.132 ( -1.442 -1.867 -2.160) 3.199 1.143 ( 1.732 3.313 -3.101) 4.857 1.197 ( 4.657 1.360 -0.386) 4.867 1.210 ( 1.338 2.095 -0.728) 2.590 1.312 ( 0.022 3.143 0.663) 3.213 1.369 ( -1.765 -3.096 3.143) 4.752 1.493 ( 1.390 -5.353 -1.761) 5.804 1.779 ( -5.606 2.391 0.546) 6.119 1.935 ( -8.843 -3.511 0.851) 9.552 2.194 ( 1.674 6.293 1.578) 6.700 2.268 ( -0.142 4.819 -0.706) 4.873 2.346 ( -7.220 3.978 4.162) 9.234 2.578 ( -7.409 -4.835 -2.687) 9.246 3.266 ( 1.596 -1.175 2.149) 2.923 3.342 ( 1.474 -2.911 -1.692) 3.675 4.290 ( 3.274 -0.002 -0.356) 3.294 4.369 ( -0.456 -0.256 1.421) 1.514 4.811 ( 1.656 -0.527 -1.160) 2.089 4.833 ( -0.815 -0.020 1.204) 1.454 4.907 ( -0.472 0.676 0.461) 0.945 4.960 ( -1.889 -0.110 -0.358) 1.926 5.126 ( 3.788 0.904 -0.548) 3.933 5.181 ( 1.860 -0.549 -0.149) 1.945 9.312 ( 0.402 -0.285 -0.745) 0.893 9.338 ( -0.717 -0.087 0.471) 0.862 10.000 ( -0.217 -0.339 1.213) 1.278 10.061 ( -0.187 -0.080 -1.817) 1.828 10.416 ( -0.430 0.108 -0.319) 0.546 10.423 ( -1.503 0.119 1.339) 2.016 10.632 ( 1.921 0.510 2.951) 3.557 10.779 ( 1.097 1.312 -3.057) 3.503 ======================= Grid point 240 (116/141) ======================= q-point: ( 0.50 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.626 -1.636 1.391) 2.237 0.743 ( 3.051 -1.481 -4.662) 5.765 0.758 ( 6.033 -0.103 1.995) 6.355 0.911 ( 4.393 -3.467 2.982) 6.341 1.001 ( -1.417 3.911 -2.968) 5.110 1.041 ( 2.074 5.867 -3.012) 6.913 1.156 ( -1.946 0.766 1.060) 2.344 1.167 ( -2.357 1.329 -3.165) 4.164 1.224 ( 2.880 -1.795 -0.964) 3.528 1.279 ( -0.951 0.569 0.609) 1.265 1.424 ( 0.383 -2.731 2.641) 3.818 1.572 ( -0.881 -2.631 -1.808) 3.312 1.732 ( 0.924 0.122 2.039) 2.242 1.928 ( -8.381 -3.236 1.139) 9.056 2.075 ( 2.100 8.898 1.319) 9.237 2.142 ( -1.072 8.471 -0.983) 8.595 2.256 ( -1.269 2.117 5.439) 5.973 2.589 ( -7.859 -4.095 -4.120) 9.773 3.326 ( 2.228 -3.271 1.227) 4.144 3.403 ( 0.289 -3.214 -1.375) 3.508 4.315 ( 3.049 0.315 -0.375) 3.088 4.370 ( -1.088 -0.463 0.960) 1.523 4.825 ( -1.414 0.036 1.974) 2.428 4.833 ( 1.564 -0.378 -1.405) 2.136 4.898 ( 0.831 0.317 -0.221) 0.917 4.948 ( -1.801 -0.282 -0.097) 1.826 5.136 ( 3.359 1.351 -0.209) 3.627 5.196 ( 0.117 -0.243 -0.457) 0.530 9.321 ( 0.568 -0.214 -0.280) 0.669 9.335 ( -0.600 -0.215 0.234) 0.679 10.009 ( -0.059 -0.572 1.364) 1.480 10.058 ( -0.087 -0.087 -1.698) 1.703 10.407 ( -0.812 0.221 0.797) 1.159 10.417 ( -0.346 -0.213 -0.289) 0.499 10.637 ( 1.365 1.009 2.807) 3.280 10.749 ( 0.404 2.136 -2.879) 3.608 ======================= Grid point 241 (117/141) ======================= q-point: ( 0.60 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -0.022 -1.131 1.050) 1.543 0.784 ( 1.332 -0.589 -2.373) 2.784 0.802 ( 5.110 0.552 0.080) 5.140 0.900 ( -3.004 4.031 -0.507) 5.053 0.984 ( 2.684 1.788 -0.610) 3.282 0.994 ( 4.599 0.056 1.418) 4.813 1.093 ( -1.842 3.500 -1.134) 4.115 1.128 ( -3.584 -0.219 -4.758) 5.961 1.277 ( -1.140 -1.496 1.585) 2.460 1.288 ( -0.499 -3.592 0.613) 3.678 1.472 ( 1.339 -1.262 2.531) 3.129 1.558 ( -3.175 0.957 0.584) 3.367 1.776 ( 4.362 1.964 2.400) 5.352 1.841 ( -2.859 7.333 0.465) 7.884 1.961 ( 2.107 6.822 -1.702) 7.340 2.013 ( -4.813 -0.674 -0.896) 4.942 2.286 ( 5.100 -2.443 6.813) 8.854 2.578 ( -7.976 -3.570 -6.084) 10.648 3.410 ( 2.695 -3.343 0.243) 4.301 3.449 ( -1.091 -2.407 -0.272) 2.657 4.325 ( 1.772 0.879 0.692) 2.096 4.369 ( -0.879 -0.320 -0.881) 1.286 4.814 ( -1.326 0.209 2.530) 2.864 4.847 ( 1.108 -0.149 -1.647) 1.991 4.911 ( 1.406 -0.479 -0.142) 1.493 4.939 ( -1.454 -0.413 -0.289) 1.539 5.134 ( 2.342 1.649 0.906) 3.004 5.190 ( -0.894 0.359 -1.422) 1.717 9.326 ( 0.112 -0.054 0.346) 0.368 9.336 ( 0.010 -0.099 -0.395) 0.408 10.022 ( 0.056 -0.619 1.239) 1.386 10.056 ( -0.032 -0.024 -1.369) 1.370 10.402 ( -0.270 -0.091 0.702) 0.758 10.420 ( -0.199 -0.456 -0.663) 0.829 10.630 ( 0.938 1.358 2.401) 2.913 10.705 ( -0.264 2.352 -2.457) 3.411 ======================= Grid point 242 (118/141) ======================= q-point: (-0.30 -0.70 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -0.035 -0.119 0.476) 0.492 0.778 ( 0.663 1.171 -1.094) 1.735 0.809 ( -0.582 2.571 0.549) 2.693 0.826 ( 0.185 1.562 -0.876) 1.800 0.973 ( 0.106 2.341 2.384) 3.343 1.016 ( -1.337 1.151 -0.745) 1.915 1.047 ( 5.248 -0.606 -0.375) 5.296 1.101 ( -4.249 -1.165 -4.423) 6.243 1.304 ( -0.058 -1.129 3.115) 3.314 1.335 ( -0.801 -2.044 0.465) 2.244 1.475 ( 0.166 2.969 4.357) 5.275 1.533 ( 0.182 -0.038 2.411) 2.418 1.617 ( -2.576 9.807 0.030) 10.140 1.717 ( 1.176 7.249 -5.935) 9.442 1.983 ( 2.768 -2.872 1.459) 4.247 2.021 ( -1.547 -3.753 -1.964) 4.510 2.418 ( 3.161 -5.610 7.615) 9.973 2.580 ( -2.917 -4.274 -7.404) 9.033 3.460 ( -1.868 -0.203 0.960) 2.110 3.477 ( 1.901 -1.723 -0.642) 2.644 4.316 ( -0.916 0.854 1.915) 2.288 4.366 ( 1.210 0.289 -2.796) 3.060 4.806 ( -0.672 0.192 2.552) 2.646 4.852 ( 0.789 0.163 -1.760) 1.936 4.922 ( -1.239 -0.462 0.964) 1.636 4.946 ( 1.106 -0.795 -1.213) 1.824 5.117 ( -0.566 1.708 2.334) 2.947 5.170 ( 0.527 1.112 -2.608) 2.884 9.327 ( -0.383 -0.096 0.330) 0.515 9.336 ( 0.449 0.136 -0.530) 0.707 10.035 ( 0.170 -0.524 0.885) 1.043 10.054 ( -0.104 0.047 -0.907) 0.915 10.409 ( 0.267 -0.506 0.655) 0.869 10.426 ( -0.298 -0.559 -0.893) 1.095 10.616 ( 0.842 1.417 1.941) 2.546 10.658 ( -0.760 2.045 -2.003) 2.962 ======================= Grid point 243 (119/141) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -3.351 3.540 0.716) 4.927 0.756 ( 0.197 1.690 -0.486) 1.769 0.763 ( 1.162 1.999 -0.843) 2.461 0.807 ( 3.394 3.208 -1.438) 4.886 0.920 ( -4.263 0.752 1.998) 4.768 0.998 ( 2.138 1.502 -0.324) 2.633 1.037 ( -3.575 3.614 0.624) 5.122 1.139 ( 5.157 -2.079 -0.804) 5.618 1.318 ( 1.006 -0.194 2.986) 3.157 1.339 ( -0.880 0.738 0.145) 1.157 1.435 ( 1.313 2.029 4.690) 5.276 1.486 ( -2.954 0.622 -1.840) 3.535 1.538 ( 0.003 0.131 1.235) 1.242 1.660 ( 1.598 -0.631 -5.814) 6.062 2.004 ( -6.302 -3.159 -0.157) 7.051 2.125 ( 6.578 -3.173 -0.783) 7.346 2.494 ( -9.414 -5.673 2.086) 11.187 2.700 ( 10.017 -5.630 -1.908) 11.648 3.420 ( -4.074 2.104 1.504) 4.826 3.498 ( 2.245 1.206 -1.116) 2.782 4.289 ( -2.429 0.717 1.310) 2.851 4.374 ( 2.975 0.425 -2.466) 3.888 4.802 ( -0.483 0.234 1.946) 2.018 4.851 ( 1.207 0.351 -1.399) 1.881 4.919 ( -1.748 -0.514 1.071) 2.113 4.969 ( 1.235 -0.735 -1.080) 1.798 5.069 ( -3.557 2.000 1.826) 4.471 5.158 ( 2.722 1.522 -1.957) 3.682 9.325 ( -0.719 -0.186 -0.005) 0.743 9.339 ( 0.591 -0.016 -0.255) 0.644 10.045 ( 0.219 -0.301 0.492) 0.617 10.050 ( -0.225 -0.001 -0.448) 0.501 10.423 ( 0.136 -0.637 0.422) 0.776 10.432 ( -0.171 -0.539 -0.779) 0.962 10.605 ( 1.221 1.005 1.536) 2.204 10.617 ( -0.875 1.468 -1.653) 2.378 ======================= Grid point 244 (120/141) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -1.567 4.688 0.001) 4.943 0.705 ( 1.216 5.161 -1.039) 5.403 0.718 ( 2.141 4.147 0.634) 4.710 0.755 ( 2.304 4.717 -2.723) 5.914 0.891 ( -2.445 -0.212 1.969) 3.146 0.966 ( -1.972 -0.023 0.241) 1.987 1.005 ( 3.550 0.593 0.690) 3.665 1.174 ( 5.869 2.232 -4.340) 7.633 1.299 ( -1.527 3.223 1.285) 3.791 1.345 ( 1.262 0.123 3.432) 3.658 1.439 ( -0.536 -1.579 3.555) 3.927 1.542 ( 2.784 -1.903 -1.892) 3.867 1.567 ( -3.375 -9.076 3.283) 10.225 1.717 ( 0.899 -5.137 -3.654) 6.368 2.006 ( -6.385 -3.494 -0.797) 7.322 2.209 ( 3.721 -1.359 -0.673) 4.018 2.505 ( -10.863 -5.511 -0.159) 12.182 2.878 ( 9.403 -4.487 0.165) 10.420 3.327 ( -4.879 4.040 0.925) 6.402 3.472 ( 2.173 3.553 -0.833) 4.247 4.259 ( -2.090 0.666 0.584) 2.270 4.389 ( 2.951 0.576 -1.678) 3.443 4.794 ( -0.489 0.322 0.484) 0.760 4.864 ( 2.244 -0.340 0.187) 2.277 4.916 ( -1.213 -0.540 0.828) 1.564 4.985 ( 0.103 -0.299 -0.704) 0.771 5.001 ( -3.639 2.013 0.811) 4.237 5.152 ( 3.266 1.781 -1.179) 3.902 9.322 ( -0.809 -0.305 -0.130) 0.874 9.345 ( 0.382 -0.266 0.041) 0.468 10.041 ( -0.551 0.281 0.086) 0.624 10.057 ( 0.348 -0.415 0.014) 0.542 10.432 ( -0.521 -0.651 -0.381) 0.917 10.439 ( 0.066 -0.296 0.013) 0.303 10.586 ( -0.623 0.924 -1.439) 1.820 10.612 ( 2.165 -0.012 1.170) 2.461 ======================= Grid point 249 (121/141) ======================= q-point: ( 0.40 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.048 0.000 0.578) 0.580 0.717 ( 0.851 0.000 -3.094) 3.209 0.763 ( 6.952 0.000 2.525) 7.396 0.808 ( 3.362 0.000 5.382) 6.346 1.084 ( -2.213 -0.000 -1.998) 2.982 1.098 ( 2.975 0.000 -3.910) 4.913 1.193 ( -0.594 -0.000 -5.515) 5.547 1.195 ( -0.781 -0.000 -0.800) 1.118 1.286 ( 5.216 0.000 1.749) 5.502 1.306 ( -2.621 -0.000 3.826) 4.637 1.377 ( -0.752 -0.000 0.342) 0.826 1.434 ( 4.442 0.000 -4.134) 6.068 1.758 ( -4.900 -0.000 0.439) 4.919 1.828 ( -7.604 -0.000 0.645) 7.631 2.270 ( 2.017 0.000 -0.432) 2.063 2.305 ( -1.842 -0.000 2.328) 2.969 2.337 ( -5.683 -0.000 5.660) 8.021 2.476 ( -3.578 -0.000 -4.333) 5.619 3.270 ( 0.475 0.000 2.846) 2.885 3.322 ( 1.300 0.000 -2.014) 2.398 4.316 ( 2.995 0.000 -0.496) 3.035 4.364 ( -0.912 -0.000 1.365) 1.642 4.821 ( 2.242 0.000 -1.411) 2.649 4.828 ( -1.009 -0.000 1.746) 2.017 4.912 ( 0.038 0.000 -0.130) 0.136 4.941 ( -2.176 -0.000 -0.099) 2.178 5.160 ( 2.688 0.000 -0.320) 2.707 5.191 ( 1.321 0.000 -0.321) 1.360 9.313 ( 0.777 0.000 -0.840) 1.145 9.331 ( -0.960 -0.000 0.585) 1.124 9.998 ( -0.021 -0.000 1.409) 1.409 10.055 ( -0.148 -0.000 -2.052) 2.057 10.413 ( -1.468 -0.000 1.658) 2.215 10.415 ( 0.017 0.000 -0.481) 0.481 10.657 ( 1.533 0.000 3.610) 3.922 10.792 ( 0.491 0.000 -3.692) 3.724 ======================= Grid point 250 (122/141) ======================= q-point: ( 0.50 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -0.567 -1.577 1.159) 2.038 0.729 ( 0.862 -1.262 -3.110) 3.465 0.815 ( 5.431 0.420 3.414) 6.429 0.871 ( 2.042 -2.931 3.206) 4.799 1.062 ( -1.335 1.065 -2.067) 2.681 1.097 ( -0.936 0.050 -1.419) 1.701 1.149 ( 0.641 3.505 -3.623) 5.082 1.158 ( -3.857 1.360 -2.748) 4.928 1.273 ( 0.797 1.643 1.328) 2.258 1.310 ( 1.912 3.388 -2.198) 4.469 1.384 ( 1.042 -3.027 4.579) 5.587 1.511 ( 1.104 -3.465 -4.335) 5.658 1.732 ( 0.037 -0.683 1.232) 1.409 1.803 ( -6.091 -2.999 0.192) 6.792 2.222 ( 0.432 6.082 2.070) 6.440 2.252 ( -1.453 4.436 1.371) 4.865 2.297 ( -0.428 1.944 5.163) 5.533 2.475 ( -2.971 -2.440 -4.949) 6.267 3.292 ( 0.616 -1.961 2.423) 3.178 3.351 ( 0.386 -2.395 -2.097) 3.207 4.339 ( 2.372 -0.048 -0.253) 2.386 4.357 ( -1.355 -0.189 1.033) 1.714 4.819 ( -1.376 0.181 2.050) 2.476 4.841 ( 2.177 -0.189 -1.783) 2.820 4.910 ( 0.560 0.325 -0.194) 0.676 4.927 ( -1.671 -0.336 -0.035) 1.705 5.175 ( 2.113 0.477 -0.346) 2.193 5.195 ( -0.165 0.147 -0.253) 0.336 9.321 ( 0.295 -0.154 -0.095) 0.346 9.326 ( -0.324 -0.314 -0.024) 0.452 10.004 ( 0.133 -0.316 1.540) 1.578 10.052 ( -0.095 -0.145 -2.084) 2.091 10.404 ( -1.082 0.082 1.457) 1.817 10.415 ( 0.308 0.065 -0.499) 0.590 10.668 ( 1.113 0.663 3.667) 3.889 10.776 ( -0.106 1.265 -3.776) 3.983 ======================= Grid point 251 (123/141) ======================= q-point: (-0.40 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -1.536 -1.884 1.522) 2.868 0.761 ( 0.254 -1.864 -2.711) 3.300 0.854 ( 3.192 0.044 2.948) 4.346 0.910 ( -1.915 0.316 -1.778) 2.632 1.022 ( 1.792 2.481 1.537) 3.425 1.079 ( -3.694 0.134 0.846) 3.792 1.086 ( -1.761 2.171 -4.091) 4.955 1.114 ( 2.105 1.354 -2.758) 3.725 1.247 ( -2.655 0.110 1.154) 2.897 1.278 ( 2.724 1.652 -1.675) 3.599 1.455 ( 1.409 -2.735 4.099) 5.125 1.530 ( -2.461 -0.756 -2.655) 3.698 1.798 ( 2.840 -2.779 1.663) 4.307 1.818 ( -1.430 -3.251 -0.195) 3.557 2.089 ( -1.012 8.701 2.073) 9.002 2.126 ( -0.175 8.920 -0.924) 8.970 2.305 ( 2.541 -0.620 8.434) 8.830 2.478 ( -1.654 -1.663 -7.385) 7.748 3.356 ( 0.530 -3.930 1.678) 4.306 3.395 ( -0.337 -2.830 -1.958) 3.458 4.338 ( -1.753 0.344 1.487) 2.325 4.367 ( 1.868 -0.368 -1.130) 2.214 4.808 ( -1.331 0.074 2.256) 2.620 4.854 ( 1.369 0.056 -1.988) 2.414 4.910 ( -0.691 -0.202 0.649) 0.969 4.926 ( 0.772 -0.302 -0.821) 1.167 5.170 ( -0.530 1.237 0.631) 1.487 5.189 ( 0.484 0.115 -1.151) 1.254 9.321 ( -0.753 -0.268 0.667) 1.041 9.336 ( 0.789 -0.249 -0.707) 1.088 10.015 ( 0.219 -0.504 1.492) 1.590 10.052 ( -0.029 -0.195 -1.915) 1.925 10.398 ( -0.569 -0.081 1.121) 1.260 10.416 ( 0.421 0.035 -0.566) 0.707 10.665 ( 0.789 1.219 3.254) 3.563 10.737 ( -0.691 2.080 -3.382) 4.030 ======================= Grid point 252 (124/141) ======================= q-point: (-0.30 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -1.587 -2.071 1.240) 2.889 0.770 ( -2.700 -0.336 -0.976) 2.891 0.829 ( -2.834 2.867 -2.095) 4.543 0.884 ( 3.343 1.539 1.318) 3.910 1.000 ( -3.103 0.867 0.099) 3.223 1.030 ( -4.774 0.380 -2.925) 5.611 1.055 ( 3.525 1.580 -0.498) 3.895 1.103 ( 2.792 2.384 -1.214) 3.867 1.266 ( -0.481 -3.287 2.231) 4.002 1.293 ( 0.589 -1.695 0.319) 1.823 1.491 ( -2.028 -0.303 1.905) 2.799 1.536 ( 2.441 -1.145 1.440) 3.057 1.760 ( -4.024 5.724 2.970) 7.601 1.881 ( 3.785 7.363 -1.862) 8.486 1.947 ( -2.323 3.133 -0.552) 3.939 2.008 ( 4.291 0.131 -0.593) 4.334 2.346 ( -3.852 -2.093 4.326) 6.159 2.527 ( 7.388 -3.536 -4.319) 9.260 3.411 ( -2.696 -2.399 0.120) 3.611 3.450 ( 1.425 -3.332 -0.360) 3.641 4.313 ( -2.666 0.615 1.172) 2.977 4.386 ( 2.356 0.004 -1.683) 2.895 4.804 ( -0.693 -0.143 2.282) 2.390 4.858 ( 0.390 0.018 -1.367) 1.422 4.906 ( -0.917 -0.144 0.013) 0.929 4.945 ( 1.577 -0.555 -0.637) 1.789 5.131 ( -2.930 1.546 1.088) 3.487 5.191 ( 1.392 0.434 -1.422) 2.037 9.320 ( -0.637 -0.208 0.473) 0.820 9.342 ( 0.609 0.049 -0.575) 0.840 10.028 ( 0.265 -0.533 1.217) 1.355 10.051 ( -0.011 -0.090 -1.500) 1.503 10.402 ( -0.105 -0.442 0.755) 0.882 10.419 ( 0.378 -0.087 -0.596) 0.711 10.651 ( 0.636 1.475 2.556) 3.019 10.685 ( -1.147 2.240 -2.705) 3.694 ======================= Grid point 253 (125/141) ======================= q-point: (-0.20 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -4.525 1.289 0.714) 4.759 0.765 ( -0.430 -1.618 -0.121) 1.679 0.782 ( 0.154 1.160 -1.890) 2.223 0.866 ( -1.659 1.199 0.575) 2.126 0.936 ( -0.815 3.974 0.929) 4.162 1.004 ( -2.083 -1.161 -3.437) 4.183 1.060 ( 1.937 1.022 -0.118) 2.193 1.117 ( 2.298 -2.231 0.280) 3.215 1.313 ( -0.562 -1.729 2.208) 2.860 1.339 ( 1.226 -1.495 1.529) 2.465 1.473 ( -1.683 0.988 4.604) 5.000 1.568 ( 1.535 4.788 -2.749) 5.730 1.587 ( 0.281 6.127 5.805) 8.445 1.717 ( 0.743 7.739 -5.181) 9.343 1.909 ( -4.404 -1.252 -1.809) 4.923 2.122 ( 6.870 -3.756 -0.390) 7.839 2.338 ( -7.779 -3.018 -0.301) 8.350 2.692 ( 11.440 -5.437 0.113) 12.667 3.402 ( -4.541 -0.019 0.591) 4.579 3.509 ( 1.341 -1.693 -0.452) 2.206 4.279 ( -2.693 0.621 0.452) 2.800 4.403 ( 2.758 0.160 -1.587) 3.187 4.805 ( -0.195 0.080 1.739) 1.751 4.858 ( -0.099 -0.187 -0.336) 0.397 4.903 ( -0.315 -0.133 -0.460) 0.573 4.966 ( 1.131 -0.596 -0.505) 1.374 5.073 ( -3.960 1.867 1.071) 4.507 5.193 ( 1.710 0.582 -1.239) 2.191 9.318 ( -0.612 -0.024 0.130) 0.626 9.344 ( 0.485 0.120 -0.363) 0.617 10.041 ( 0.305 -0.476 0.800) 0.980 10.049 ( -0.103 0.095 -0.896) 0.907 10.410 ( -0.245 -0.496 -0.058) 0.556 10.426 ( 0.561 -0.373 -0.088) 0.679 10.634 ( -0.628 1.665 -0.667) 1.901 10.637 ( 0.157 1.383 0.483) 1.473 ======================= Grid point 254 (126/141) ======================= q-point: (-0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -2.869 2.159 -0.424) 3.615 0.758 ( 0.579 1.032 -0.304) 1.222 0.785 ( 1.446 0.617 -1.183) 1.967 0.842 ( -0.035 1.856 -0.733) 1.996 0.861 ( -2.424 1.733 1.211) 3.216 0.995 ( -0.334 2.326 0.380) 2.381 1.053 ( 2.678 1.423 0.826) 3.143 1.197 ( 1.531 -3.550 0.353) 3.883 1.327 ( -0.350 -0.001 2.149) 2.177 1.355 ( 1.847 0.296 -0.092) 1.873 1.426 ( -3.480 -0.141 2.633) 4.367 1.475 ( 1.974 3.169 1.883) 4.181 1.557 ( 1.542 1.121 -0.250) 1.923 1.678 ( 2.265 -0.689 -3.229) 4.003 1.898 ( -5.206 -2.401 -2.090) 6.103 2.213 ( 3.359 -1.495 -0.623) 3.729 2.334 ( -7.845 -4.160 -1.027) 8.939 2.878 ( 9.669 -4.717 0.989) 10.804 3.340 ( -5.243 2.166 0.629) 5.708 3.525 ( 1.090 0.890 -0.379) 1.458 4.252 ( -1.718 0.354 -0.238) 1.770 4.419 ( 2.449 0.372 -1.057) 2.693 4.800 ( -0.085 0.464 0.456) 0.656 4.866 ( -0.114 -0.694 1.282) 1.462 4.907 ( 1.083 -0.307 -0.723) 1.338 4.979 ( -0.261 -0.216 -0.070) 0.346 5.007 ( -3.384 1.882 0.492) 3.903 5.195 ( 1.870 0.757 -0.998) 2.251 9.313 ( -0.531 -0.079 -0.098) 0.545 9.346 ( 0.315 -0.002 -0.148) 0.348 10.043 ( -0.253 0.292 -0.241) 0.455 10.053 ( 0.280 -0.415 0.330) 0.600 10.414 ( -0.563 -0.499 -0.624) 0.977 10.438 ( 0.491 -0.279 0.274) 0.628 10.597 ( -0.787 1.122 -1.288) 1.881 10.631 ( 1.202 0.386 1.053) 1.644 ======================= Grid point 260 (127/141) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -1.433 -0.000 1.812) 2.310 0.714 ( -0.358 -0.000 -1.992) 2.024 0.843 ( -1.639 -0.000 4.098) 4.414 0.886 ( 6.194 0.000 1.920) 6.485 1.024 ( -3.930 -0.000 -0.117) 3.932 1.101 ( -0.557 -0.000 -5.710) 5.737 1.156 ( -3.101 -0.000 -0.495) 3.140 1.163 ( -0.509 -0.000 -1.067) 1.182 1.297 ( -0.143 -0.000 2.432) 2.436 1.356 ( -1.920 -0.000 4.491) 4.885 1.372 ( 3.790 0.000 -3.512) 5.167 1.478 ( 1.486 0.000 -5.948) 6.130 1.729 ( 2.327 0.000 0.844) 2.476 1.743 ( -1.830 -0.000 -0.231) 1.844 2.272 ( -2.262 -0.000 5.451) 5.902 2.299 ( 1.245 0.000 -0.307) 1.283 2.313 ( -0.106 -0.000 3.562) 3.564 2.442 ( 1.348 0.000 -5.295) 5.464 3.280 ( -0.353 -0.000 2.671) 2.695 3.329 ( 0.271 0.000 -1.984) 2.003 4.341 ( -2.175 -0.000 1.137) 2.455 4.356 ( 1.791 0.000 -0.217) 1.804 4.812 ( -1.588 -0.000 1.943) 2.509 4.856 ( 2.132 0.000 -2.126) 3.011 4.908 ( -1.429 -0.000 0.640) 1.566 4.922 ( 1.184 0.000 -0.602) 1.328 5.189 ( 0.771 0.000 -0.043) 0.772 5.194 ( -0.807 -0.000 -0.455) 0.926 9.315 ( -1.078 -0.000 0.526) 1.200 9.328 ( 1.111 0.000 -0.683) 1.304 10.005 ( 0.298 0.000 1.607) 1.634 10.046 ( -0.114 -0.000 -2.240) 2.243 10.398 ( -0.843 -0.000 1.546) 1.761 10.419 ( 0.677 0.000 -0.453) 0.815 10.688 ( 0.774 0.000 4.042) 4.116 10.778 ( -0.650 -0.000 -4.212) 4.262 ======================= Grid point 261 (128/141) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -2.858 -1.287 2.278) 3.875 0.720 ( -1.273 -1.668 -1.272) 2.454 0.836 ( -3.362 -1.253 1.546) 3.907 0.929 ( 3.301 0.138 -0.895) 3.423 1.006 ( -4.126 -1.072 1.790) 4.624 1.079 ( -1.787 2.948 1.216) 3.656 1.103 ( -0.458 -0.050 -2.227) 2.274 1.150 ( -0.267 1.086 -0.965) 1.477 1.261 ( -1.294 2.952 0.674) 3.293 1.346 ( 2.635 2.808 -3.373) 5.120 1.406 ( -0.671 -3.502 3.767) 5.187 1.490 ( -1.096 -1.523 -3.842) 4.276 1.752 ( 0.422 -1.184 -0.504) 1.354 1.801 ( 7.423 -3.171 0.163) 8.074 2.215 ( -1.755 5.678 2.394) 6.408 2.248 ( 0.247 5.141 1.020) 5.247 2.331 ( 1.758 0.329 5.159) 5.460 2.461 ( 3.744 -0.778 -5.672) 6.841 3.300 ( -0.669 -2.410 2.344) 3.428 3.345 ( -0.270 -2.001 -2.141) 2.942 4.323 ( -2.592 -0.008 1.046) 2.795 4.372 ( 1.240 -0.468 -0.197) 1.340 4.801 ( -1.432 0.022 1.802) 2.302 4.862 ( 0.193 0.180 -1.713) 1.733 4.905 ( 0.496 0.003 0.118) 0.510 4.933 ( 1.493 -0.141 -0.463) 1.570 5.174 ( -2.177 0.799 -0.230) 2.330 5.194 ( 0.164 -0.168 -0.188) 0.301 9.309 ( -0.879 -0.280 0.498) 1.049 9.338 ( 0.933 -0.203 -0.622) 1.139 10.013 ( 0.391 -0.267 1.559) 1.629 10.044 ( -0.083 -0.222 -2.210) 2.222 10.395 ( -0.430 -0.004 1.359) 1.425 10.424 ( 0.867 0.194 -0.415) 0.981 10.693 ( 0.486 0.732 3.852) 3.950 10.752 ( -1.223 1.209 -4.089) 4.436 ======================= Grid point 262 (129/141) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -4.681 -2.326 2.244) 5.688 0.728 ( -3.791 -1.296 -0.142) 4.009 0.825 ( -2.691 -0.287 -3.409) 4.352 0.944 ( 2.049 2.335 1.950) 3.668 0.964 ( -6.105 -1.263 -1.580) 6.432 1.011 ( -1.662 2.495 -0.390) 3.024 1.107 ( 2.725 1.523 1.779) 3.593 1.178 ( 2.897 -0.932 -0.562) 3.094 1.190 ( -4.394 -0.061 1.432) 4.622 1.309 ( 1.537 2.384 -2.205) 3.592 1.453 ( -1.978 -2.053 0.439) 2.885 1.526 ( 2.227 -2.749 1.908) 4.019 1.766 ( -0.322 0.121 -0.731) 0.808 1.942 ( 9.145 -4.102 -0.467) 10.033 2.067 ( -2.037 9.393 2.243) 9.870 2.125 ( -0.085 8.617 0.294) 8.623 2.327 ( -0.350 1.679 1.023) 1.997 2.540 ( 9.051 -3.021 -1.429) 9.648 3.342 ( -2.422 -2.789 0.291) 3.705 3.391 ( 0.202 -3.763 -0.775) 3.847 4.300 ( -2.819 0.326 0.817) 2.953 4.392 ( 1.216 -0.726 -0.790) 1.622 4.797 ( -0.742 -0.346 1.804) 1.981 4.853 ( -1.045 0.038 -0.497) 1.158 4.909 ( 1.274 0.385 -1.156) 1.762 4.950 ( 1.542 -0.312 -0.257) 1.594 5.130 ( -3.496 1.372 0.224) 3.763 5.198 ( -0.027 -0.258 -0.527) 0.587 9.311 ( -0.563 -0.405 0.474) 0.840 9.346 ( 0.570 -0.077 -0.547) 0.794 10.025 ( 0.415 -0.407 1.369) 1.487 10.045 ( 0.003 -0.304 -1.956) 1.980 10.397 ( 0.019 -0.202 1.028) 1.048 10.426 ( 0.854 0.309 -0.400) 0.993 10.684 ( 0.265 1.281 3.153) 3.413 10.705 ( -1.791 1.912 -3.451) 4.333 ======================= Grid point 263 (130/141) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -5.212 -2.815 1.269) 6.058 0.706 ( -4.237 -1.326 0.968) 4.544 0.795 ( -0.969 0.927 -4.071) 4.286 0.863 ( -5.292 2.096 0.223) 5.696 0.965 ( -1.520 0.734 -3.229) 3.643 0.989 ( 2.034 0.075 0.738) 2.165 1.107 ( -1.985 1.784 -0.349) 2.691 1.113 ( 2.320 1.361 1.302) 2.988 1.274 ( -0.013 -3.078 2.302) 3.843 1.304 ( 0.306 -2.539 0.649) 2.639 1.464 ( -0.852 -0.653 1.442) 1.798 1.604 ( 3.560 -2.212 2.666) 4.967 1.717 ( -1.253 5.809 0.794) 5.996 1.873 ( -2.454 9.635 -1.550) 10.062 1.946 ( 1.113 8.400 -0.536) 8.490 2.108 ( 7.006 -4.060 -0.114) 8.099 2.285 ( -1.402 1.764 -1.471) 2.691 2.700 ( 11.345 -4.862 1.109) 12.392 3.350 ( -4.450 -1.403 -0.111) 4.667 3.464 ( 0.315 -3.903 -0.385) 3.935 4.268 ( -2.608 0.594 0.376) 2.701 4.415 ( 1.497 -0.665 -1.364) 2.132 4.804 ( -0.248 -0.407 1.496) 1.570 4.846 ( -1.028 -0.346 0.566) 1.224 4.910 ( 1.396 0.469 -1.752) 2.289 4.967 ( 1.101 -0.322 -0.186) 1.162 5.071 ( -4.209 1.642 0.570) 4.553 5.201 ( 0.006 -0.303 -0.721) 0.783 9.313 ( -0.351 -0.140 0.271) 0.465 9.349 ( 0.345 0.062 -0.388) 0.523 10.038 ( 0.388 -0.415 0.970) 1.125 10.047 ( 0.040 -0.144 -1.365) 1.374 10.404 ( 0.229 -0.257 0.480) 0.591 10.428 ( 0.765 0.066 -0.240) 0.804 10.650 ( -2.038 1.816 -2.448) 3.667 10.666 ( 0.160 1.375 2.145) 2.553 ======================= Grid point 264 (131/141) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -3.472 0.357 0.603) 3.542 0.740 ( -3.657 -4.149 0.399) 5.545 0.769 ( -0.452 0.072 -0.663) 0.806 0.821 ( -1.523 -0.453 -0.764) 1.764 0.923 ( -0.903 3.153 -2.183) 3.940 0.994 ( 0.756 -0.890 -2.037) 2.348 1.082 ( 0.292 0.333 0.544) 0.701 1.140 ( 0.352 -2.722 1.505) 3.131 1.304 ( -1.258 -1.819 2.428) 3.284 1.366 ( 0.948 -1.312 1.497) 2.205 1.458 ( -2.053 2.030 5.195) 5.944 1.560 ( 0.073 7.338 -0.397) 7.349 1.649 ( 2.496 3.313 3.045) 5.146 1.706 ( 0.380 4.848 -5.787) 7.559 1.857 ( -0.730 2.013 -1.886) 2.853 2.212 ( 3.066 -1.543 -0.833) 3.533 2.253 ( -0.254 -0.189 -0.872) 0.928 2.880 ( 9.684 -4.572 1.458) 10.808 3.317 ( -5.320 0.259 0.350) 5.338 3.519 ( 0.078 -2.052 -0.526) 2.120 4.242 ( -1.565 0.239 -0.119) 1.588 4.434 ( 1.290 -0.354 -1.256) 1.835 4.804 ( -0.730 0.096 0.542) 0.914 4.853 ( 0.233 -0.693 1.484) 1.654 4.916 ( 1.912 -0.058 -1.504) 2.433 4.975 ( -0.387 0.067 0.100) 0.405 5.009 ( -3.318 1.460 0.335) 3.640 5.206 ( 0.096 -0.289 -0.746) 0.806 9.310 ( -0.221 0.098 0.002) 0.242 9.349 ( 0.252 0.106 -0.241) 0.365 10.045 ( -0.072 0.040 -0.672) 0.677 10.050 ( 0.350 -0.272 0.549) 0.706 10.407 ( 0.006 0.036 -0.186) 0.190 10.437 ( 0.680 -0.331 0.057) 0.759 10.605 ( -1.596 1.090 -1.380) 2.375 10.650 ( 0.262 0.834 1.135) 1.432 ======================= Grid point 271 (132/141) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -3.135 -0.000 3.572) 4.753 0.684 ( -3.314 -0.000 0.443) 3.343 0.792 ( -3.763 -0.000 -0.111) 3.765 0.917 ( -3.565 -0.000 -4.407) 5.668 1.005 ( 1.538 0.000 5.256) 5.476 1.059 ( -4.179 -0.000 -0.530) 4.213 1.107 ( -2.305 -0.000 1.832) 2.944 1.161 ( 0.329 0.000 1.946) 1.974 1.308 ( 0.677 0.000 -1.547) 1.688 1.320 ( -2.907 -0.000 3.328) 4.419 1.416 ( 2.625 0.000 -3.361) 4.265 1.448 ( -1.403 -0.000 -4.463) 4.678 1.772 ( 4.938 0.000 -0.665) 4.982 1.839 ( 9.330 0.000 -0.586) 9.349 2.253 ( -1.510 -0.000 1.553) 2.166 2.306 ( -0.325 -0.000 0.319) 0.456 2.365 ( 4.722 0.000 5.804) 7.482 2.480 ( 4.976 0.000 -5.717) 7.579 3.274 ( -1.370 -0.000 2.556) 2.900 3.320 ( -0.546 -0.000 -1.927) 2.003 4.301 ( -2.767 -0.000 0.833) 2.890 4.374 ( 0.339 0.000 0.419) 0.538 4.791 ( -1.377 -0.000 1.316) 1.904 4.857 ( -1.040 -0.000 -0.766) 1.292 4.919 ( 2.332 0.000 -0.876) 2.491 4.943 ( 1.438 0.000 -0.237) 1.458 5.162 ( -2.792 -0.000 -0.460) 2.830 5.185 ( -1.257 -0.000 0.156) 1.266 9.300 ( -0.675 -0.000 0.324) 0.749 9.342 ( 0.777 0.000 -0.508) 0.928 10.017 ( 0.521 0.000 1.495) 1.583 10.037 ( -0.107 -0.000 -2.252) 2.255 10.395 ( -0.095 -0.000 1.391) 1.395 10.434 ( 1.147 0.000 -0.292) 1.184 10.709 ( 0.174 0.000 3.964) 3.967 10.744 ( -1.790 -0.000 -4.375) 4.728 ======================= Grid point 272 (133/141) ======================= q-point: (-0.30 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -5.217 0.011 4.382) 6.814 0.665 ( -5.482 -1.402 1.068) 5.759 0.779 ( -2.214 -1.420 -3.096) 4.062 0.883 ( -5.867 -1.277 -2.591) 6.540 0.997 ( 0.621 1.598 1.886) 2.549 1.062 ( -1.038 3.335 2.812) 4.484 1.069 ( -5.006 -4.634 3.107) 7.495 1.156 ( 0.876 1.300 2.454) 2.912 1.231 ( -2.530 3.340 -1.269) 4.378 1.366 ( -2.139 1.538 -3.085) 4.057 1.398 ( 3.110 -2.112 -0.452) 3.786 1.489 ( 1.860 -3.162 -1.064) 3.819 1.801 ( 5.256 1.638 -1.240) 5.644 1.954 ( 9.892 -3.242 -1.071) 10.465 2.190 ( -1.717 5.764 1.790) 6.275 2.251 ( -0.512 5.409 0.859) 5.501 2.394 ( 4.956 3.034 1.423) 5.982 2.554 ( 8.006 -3.337 -1.786) 8.855 3.281 ( -2.348 -1.818 1.442) 3.301 3.331 ( -0.722 -2.339 -1.332) 2.787 4.280 ( -2.607 0.016 0.546) 2.663 4.382 ( 0.047 -0.785 0.256) 0.827 4.786 ( -0.826 -0.351 1.110) 1.427 4.845 ( -1.088 0.163 -0.087) 1.103 4.932 ( 2.276 0.604 -1.485) 2.784 4.957 ( 1.429 -0.233 -0.109) 1.452 5.122 ( -3.868 1.154 -0.162) 4.039 5.180 ( -1.783 -0.780 -0.051) 1.947 9.300 ( -0.277 -0.368 0.325) 0.564 9.348 ( 0.422 -0.085 -0.426) 0.606 10.026 ( 0.555 -0.194 1.296) 1.423 10.036 ( 0.021 -0.322 -2.046) 2.071 10.398 ( 0.276 -0.027 1.233) 1.264 10.441 ( 1.247 0.351 -0.214) 1.313 10.708 ( -1.337 0.969 -0.448) 1.711 10.709 ( -1.281 0.948 -0.154) 1.601 ======================= Grid point 273 (134/141) ======================= q-point: (-0.20 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -6.472 -2.249 3.705) 7.790 0.639 ( -6.504 -1.552 1.003) 6.761 0.777 ( -1.682 -0.726 -5.695) 5.983 0.837 ( -6.868 0.505 -0.985) 6.957 0.996 ( -0.016 3.189 0.241) 3.198 0.998 ( 2.099 -0.232 1.704) 2.714 1.102 ( -5.605 -0.651 1.870) 5.945 1.149 ( -0.049 0.708 2.283) 2.391 1.188 ( -1.728 -3.707 1.416) 4.328 1.305 ( -1.272 2.200 -2.719) 3.722 1.453 ( 2.040 -1.103 0.406) 2.354 1.574 ( 2.481 -3.776 0.641) 4.563 1.799 ( 4.623 3.235 -1.420) 5.818 2.022 ( -1.370 8.310 0.632) 8.446 2.108 ( 7.557 -1.692 -0.329) 7.751 2.119 ( -0.992 8.464 1.352) 8.629 2.362 ( 5.250 4.834 -1.054) 7.214 2.709 ( 10.274 -4.928 1.164) 11.454 3.286 ( -4.172 -1.543 -0.241) 4.455 3.386 ( -0.645 -4.403 -0.382) 4.466 4.257 ( -2.187 0.375 0.259) 2.234 4.402 ( 0.299 -1.267 -0.778) 1.516 4.792 ( -0.498 -0.635 0.928) 1.230 4.837 ( -0.278 -0.113 0.681) 0.744 4.933 ( 1.713 0.859 -1.619) 2.508 4.972 ( 1.176 -0.131 -0.283) 1.216 5.062 ( -4.577 1.463 0.218) 4.810 5.181 ( -1.804 -1.063 -0.326) 2.119 9.307 ( 0.095 -0.369 0.309) 0.491 9.351 ( 0.189 -0.036 -0.291) 0.349 10.036 ( 0.367 -0.330 0.211) 0.536 10.042 ( 0.351 -0.339 -0.827) 0.960 10.405 ( 0.568 -0.166 0.911) 1.086 10.442 ( 1.134 0.599 -0.221) 1.301 10.654 ( -3.047 1.545 -3.076) 4.597 10.692 ( -0.448 1.271 2.475) 2.818 ======================= Grid point 274 (135/141) ======================= q-point: (-0.10 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -4.539 -4.799 2.169) 6.952 0.621 ( -5.660 -2.322 0.418) 6.132 0.752 ( -2.885 0.087 -3.038) 4.190 0.787 ( -3.072 -0.999 -1.876) 3.735 0.952 ( 0.761 1.823 -2.455) 3.151 1.008 ( -1.242 1.980 -0.069) 2.339 1.067 ( -1.604 -1.445 1.749) 2.778 1.130 ( -0.609 0.943 0.346) 1.174 1.265 ( -1.757 -1.869 1.792) 3.129 1.297 ( -1.588 -5.441 1.952) 5.994 1.474 ( 0.894 0.407 1.863) 2.106 1.635 ( -0.437 -0.727 1.244) 1.506 1.749 ( 4.415 6.975 -0.255) 8.259 1.829 ( -1.479 9.525 -2.683) 10.006 1.960 ( 0.782 8.150 0.820) 8.228 2.206 ( 3.838 -2.150 -0.808) 4.473 2.327 ( 7.035 4.612 -0.258) 8.416 2.883 ( 9.086 -4.599 1.542) 10.299 3.265 ( -5.217 -0.922 0.041) 5.298 3.458 ( -0.840 -4.213 -0.755) 4.362 4.235 ( -1.231 0.334 0.110) 1.281 4.425 ( 0.173 -1.108 -1.499) 1.872 4.794 ( -1.094 -0.212 0.531) 1.235 4.852 ( 1.499 -0.700 1.266) 2.083 4.932 ( 1.648 0.385 -1.367) 2.176 4.976 ( -0.671 0.485 -0.257) 0.867 5.003 ( -3.157 0.914 0.205) 3.293 5.185 ( -1.699 -1.175 -0.485) 2.122 9.312 ( 0.218 0.064 0.087) 0.243 9.352 ( 0.206 0.026 -0.143) 0.252 10.042 ( 0.121 -0.179 -0.920) 0.945 10.050 ( 0.500 -0.199 0.540) 0.762 10.413 ( 0.562 0.145 0.435) 0.725 10.441 ( 0.885 0.224 -0.234) 0.942 10.602 ( -2.716 0.917 -1.623) 3.294 10.668 ( -0.620 1.163 1.270) 1.830 ======================= Grid point 282 (136/141) ======================= q-point: (-0.30 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -4.604 -0.000 5.898) 7.483 0.597 ( -7.174 -0.000 2.031) 7.456 0.745 ( -1.295 -0.000 -2.914) 3.189 0.818 ( -6.093 -0.000 -2.796) 6.704 0.956 ( -8.370 -0.000 6.062) 10.335 1.029 ( 0.418 0.000 0.290) 0.508 1.088 ( -1.754 -0.000 3.239) 3.684 1.164 ( -1.817 -0.000 1.600) 2.421 1.283 ( -3.131 -0.000 3.876) 4.983 1.288 ( -1.460 -0.000 -4.526) 4.756 1.451 ( 3.283 0.000 -2.900) 4.380 1.458 ( 4.067 0.000 -3.611) 5.439 1.878 ( 7.227 0.000 -0.954) 7.290 2.002 ( 9.750 0.000 -1.867) 9.927 2.235 ( -0.845 -0.000 0.427) 0.947 2.292 ( -1.585 -0.000 1.150) 1.959 2.502 ( 9.208 0.000 4.603) 10.295 2.566 ( 7.050 0.000 -4.309) 8.263 3.248 ( -2.741 -0.000 2.423) 3.659 3.298 ( -1.414 -0.000 -1.858) 2.334 4.261 ( -1.988 -0.000 0.152) 1.994 4.373 ( -0.547 -0.000 1.013) 1.151 4.778 ( -0.410 -0.000 0.616) 0.740 4.839 ( -0.737 -0.000 0.159) 0.754 4.958 ( 2.641 0.000 -2.005) 3.316 4.964 ( 0.929 0.000 0.332) 0.986 5.099 ( -4.349 -0.000 -0.323) 4.361 5.149 ( -3.049 -0.000 0.212) 3.056 9.297 ( 0.175 0.000 0.242) 0.298 9.349 ( 0.120 0.000 -0.296) 0.319 10.030 ( 0.043 0.000 -2.011) 2.012 10.032 ( 0.742 0.000 1.274) 1.474 10.404 ( 0.553 0.000 1.309) 1.421 10.456 ( 1.507 0.000 -0.046) 1.508 10.688 ( -3.191 -0.000 -4.327) 5.377 10.718 ( -0.576 -0.000 3.283) 3.334 ======================= Grid point 283 (137/141) ======================= q-point: (-0.20 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -6.090 1.222 6.682) 9.124 0.553 ( -7.832 -1.092 1.964) 8.148 0.739 ( -1.519 -0.748 -4.700) 4.995 0.772 ( -6.064 -0.962 -1.792) 6.396 0.964 ( -6.973 -6.471 7.475) 12.099 1.022 ( 0.356 0.717 -0.054) 0.802 1.052 ( -1.316 2.561 2.049) 3.534 1.141 ( -4.126 0.015 -0.284) 4.135 1.185 ( -2.046 3.710 0.837) 4.318 1.306 ( -3.186 -0.128 -2.933) 4.332 1.471 ( 5.015 -0.046 -1.478) 5.228 1.533 ( 3.719 -3.351 -2.197) 5.467 1.907 ( 7.356 3.010 -0.867) 7.995 2.096 ( 6.606 -1.218 -1.926) 6.988 2.175 ( -0.488 5.311 1.982) 5.689 2.237 ( -1.172 4.789 0.495) 4.955 2.514 ( 8.951 5.297 0.003) 10.401 2.702 ( 9.314 -5.318 0.760) 10.752 3.231 ( -4.028 -0.701 0.963) 4.201 3.308 ( -1.659 -3.009 -0.923) 3.558 4.247 ( -1.188 0.131 -0.179) 1.209 4.380 ( -0.363 -1.036 0.362) 1.155 4.782 ( 0.082 -0.362 0.391) 0.539 4.836 ( 0.117 -0.134 0.588) 0.615 4.959 ( 1.078 0.915 -0.633) 1.550 4.980 ( 1.504 -0.145 -1.136) 1.891 5.046 ( -4.862 1.273 -0.000) 5.026 5.136 ( -3.315 -1.396 -0.025) 3.597 9.304 ( 0.640 -0.354 0.290) 0.787 9.350 ( -0.057 -0.124 -0.165) 0.214 10.031 ( 0.240 -0.327 -1.639) 1.688 10.043 ( 0.812 -0.181 1.004) 1.303 10.411 ( 0.759 -0.005 1.195) 1.416 10.464 ( 1.572 0.566 -0.012) 1.671 10.642 ( -3.990 1.001 -3.664) 5.508 10.708 ( -1.057 0.799 2.497) 2.827 ======================= Grid point 284 (138/141) ======================= q-point: (-0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -5.803 -2.240 5.475) 8.287 0.529 ( -6.760 -2.957 2.092) 7.669 0.723 ( -2.957 0.468 -6.301) 6.976 0.731 ( -4.559 -1.254 -2.310) 5.262 0.997 ( -0.144 2.227 1.435) 2.653 1.010 ( -4.662 -0.612 0.101) 4.703 1.033 ( 0.346 -0.910 2.780) 2.946 1.129 ( -3.165 -1.572 1.640) 3.896 1.148 ( -3.107 -4.083 2.529) 5.720 1.263 ( -2.139 0.975 -3.019) 3.826 1.500 ( 2.743 0.663 -0.273) 2.835 1.611 ( 2.082 -2.301 -1.588) 3.486 1.900 ( 7.146 4.964 -0.747) 8.733 1.999 ( -1.168 10.172 0.862) 10.275 2.100 ( -1.648 7.157 2.007) 7.614 2.207 ( 4.308 -1.045 -1.528) 4.689 2.497 ( 10.268 5.693 0.152) 11.742 2.874 ( 8.222 -4.966 1.472) 9.718 3.205 ( -5.092 -0.854 0.218) 5.168 3.364 ( -1.812 -4.787 -0.875) 5.193 4.235 ( -0.314 0.411 0.061) 0.521 4.399 ( -0.344 -1.330 -1.277) 1.876 4.786 ( -0.217 -0.049 0.288) 0.364 4.855 ( 1.919 -0.886 0.925) 2.307 4.950 ( 0.504 0.673 -0.055) 0.842 4.974 ( -3.432 1.052 -0.605) 3.641 4.996 ( -0.244 0.387 -0.726) 0.858 5.137 ( -3.168 -1.800 -0.267) 3.653 9.316 ( 0.766 -0.121 0.122) 0.785 9.352 ( 0.129 -0.180 0.045) 0.226 10.038 ( 0.377 -0.351 -1.298) 1.396 10.053 ( 0.696 -0.118 0.760) 1.037 10.420 ( 0.809 -0.036 0.873) 1.191 10.462 ( 1.256 1.018 -0.244) 1.635 10.586 ( -3.810 0.683 -1.845) 4.288 10.682 ( -1.465 1.183 1.279) 2.276 ======================= Grid point 293 (139/141) ======================= q-point: (-0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -8.870 -0.000 2.501) 9.216 0.527 ( -4.604 -0.000 8.101) 9.318 0.707 ( -5.939 -0.000 -2.510) 6.447 0.717 ( -1.137 -0.000 -3.685) 3.856 0.841 ( -7.870 -0.000 11.397) 13.850 1.026 ( -1.160 -0.000 -0.538) 1.279 1.060 ( -1.555 -0.000 -0.484) 1.629 1.098 ( -5.378 -0.000 -1.423) 5.563 1.230 ( -4.253 -0.000 2.385) 4.876 1.247 ( -1.803 -0.000 -4.428) 4.781 1.522 ( 5.526 0.000 -2.427) 6.035 1.524 ( 4.475 0.000 -3.115) 5.452 1.998 ( 6.900 0.000 0.910) 6.959 2.136 ( 6.463 0.000 -2.870) 7.072 2.235 ( 1.015 0.000 -0.006) 1.015 2.259 ( -2.715 -0.000 1.281) 3.002 2.688 ( 8.869 0.000 -0.547) 8.885 2.688 ( 10.436 0.000 1.955) 10.617 3.194 ( -4.588 -0.000 2.270) 5.119 3.259 ( -2.533 -0.000 -1.815) 3.116 4.242 ( 0.064 0.000 -0.865) 0.868 4.367 ( -0.409 -0.000 0.994) 1.075 4.784 ( 1.066 0.000 -0.018) 1.066 4.837 ( 0.458 0.000 0.671) 0.812 4.972 ( -0.466 -0.000 0.934) 1.044 4.989 ( 1.200 0.000 -2.520) 2.792 5.020 ( -4.184 -0.000 -0.206) 4.189 5.088 ( -3.976 -0.000 0.120) 3.978 9.309 ( 1.109 0.000 0.319) 1.154 9.346 ( -0.288 -0.000 -0.071) 0.297 10.027 ( 0.391 0.000 -1.552) 1.601 10.050 ( 0.954 0.000 1.022) 1.398 10.420 ( 0.849 0.000 1.377) 1.618 10.485 ( 1.970 0.000 0.160) 1.977 10.608 ( -4.712 -0.000 -3.666) 5.970 10.708 ( -1.692 -0.000 2.048) 2.656 ======================= Grid point 294 (140/141) ======================= q-point: (-0.10 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -7.823 -2.470 3.841) 9.059 0.464 ( -4.849 2.848 9.523) 11.059 0.664 ( -5.093 -1.121 -3.150) 6.092 0.700 ( -1.850 0.221 -5.750) 6.044 0.885 ( -4.997 -7.475 9.782) 13.287 1.007 ( -3.007 0.067 2.547) 3.941 1.047 ( 0.294 0.152 -2.252) 2.276 1.049 ( -5.068 -0.010 -1.484) 5.281 1.146 ( -2.740 3.040 0.178) 4.097 1.245 ( -2.509 -0.427 -4.443) 5.120 1.540 ( 3.532 0.966 -1.652) 4.017 1.592 ( 3.709 -2.126 -2.617) 5.013 2.032 ( 6.988 2.692 1.270) 7.596 2.141 ( 0.395 5.649 -0.171) 5.666 2.179 ( -1.295 3.752 1.453) 4.227 2.242 ( 2.538 1.282 -1.747) 3.337 2.680 ( 10.191 5.073 0.339) 11.389 2.858 ( 8.269 -4.763 1.514) 9.661 3.154 ( -5.429 -0.094 1.364) 5.599 3.267 ( -2.881 -3.566 -1.354) 4.781 4.244 ( 1.019 0.281 -0.557) 1.194 4.374 ( -0.479 -0.872 -0.573) 1.148 4.793 ( 1.234 0.317 -0.144) 1.282 4.855 ( 1.878 -1.009 0.757) 2.262 4.955 ( -4.889 1.137 0.063) 5.020 4.960 ( -1.101 0.492 0.887) 1.497 5.007 ( 1.430 0.284 -2.224) 2.659 5.074 ( -3.809 -1.751 -0.075) 4.192 9.321 ( 1.174 -0.168 0.162) 1.197 9.348 ( -0.076 -0.393 0.101) 0.413 10.033 ( 0.639 -0.374 -1.291) 1.488 10.060 ( 0.717 -0.018 0.677) 0.986 10.429 ( 0.831 0.054 1.280) 1.527 10.494 ( 1.966 1.048 -0.177) 2.235 10.557 ( -4.434 0.373 -1.753) 4.783 10.686 ( -2.279 0.776 1.052) 2.628 ======================= Grid point 304 (141/141) ======================= q-point: (-0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -6.203 -0.000 6.207) 8.775 0.491 ( -2.854 -0.000 9.528) 9.946 0.604 ( -4.915 -0.000 -4.377) 6.582 0.678 ( -1.959 -0.000 -3.176) 3.732 0.780 ( -4.043 -0.000 12.754) 13.379 0.977 ( -4.432 -0.000 2.441) 5.060 1.003 ( -4.229 -0.000 -1.965) 4.663 1.047 ( 0.991 0.000 -6.680) 6.753 1.165 ( -3.543 -0.000 0.098) 3.545 1.204 ( -1.281 -0.000 -4.890) 5.055 1.576 ( 2.517 0.000 -1.919) 3.165 1.597 ( 3.375 0.000 -2.134) 3.993 2.106 ( 4.323 0.000 4.160) 5.999 2.193 ( 2.109 0.000 -2.958) 3.633 2.219 ( -1.767 -0.000 0.463) 1.827 2.267 ( 2.053 0.000 -1.279) 2.419 2.824 ( 7.392 0.000 1.006) 7.461 2.872 ( 9.597 0.000 0.968) 9.646 3.110 ( -6.110 -0.000 2.701) 6.681 3.201 ( -3.540 -0.000 -2.168) 4.151 4.259 ( 2.279 0.000 -1.262) 2.605 4.358 ( -1.445 -0.000 -0.354) 1.488 4.814 ( 2.518 0.000 -0.679) 2.608 4.860 ( 2.028 0.000 0.901) 2.219 4.926 ( -4.886 -0.000 -0.032) 4.886 4.950 ( -2.450 -0.000 1.588) 2.920 5.019 ( 1.458 0.000 -2.750) 3.113 5.026 ( -3.299 -0.000 0.276) 3.310 9.331 ( 1.147 0.000 0.134) 1.155 9.341 ( -0.217 -0.000 0.099) 0.238 10.034 ( 0.892 0.000 -0.969) 1.317 10.065 ( 0.151 0.000 0.211) 0.260 10.439 ( 0.762 0.000 1.523) 1.703 10.518 ( -2.455 -0.000 -2.321) 3.379 10.530 ( 1.563 0.000 1.305) 2.036 10.672 ( -2.988 -0.000 0.459) 3.023 =================== 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 3/18000 10.0 10.520 8.391 8.150 -0.000 0.789 0.000 3/18000 20.0 3.226 2.520 2.598 -0.000 0.154 0.000 3/18000 30.0 1.855 1.468 1.495 -0.000 0.070 0.000 3/18000 40.0 1.323 1.054 1.053 -0.000 0.044 0.000 3/18000 50.0 1.040 0.830 0.816 -0.000 0.032 0.000 3/18000 60.0 0.862 0.688 0.669 -0.000 0.025 0.000 3/18000 70.0 0.739 0.588 0.568 -0.000 0.020 0.000 3/18000 80.0 0.649 0.514 0.495 -0.000 0.017 0.000 3/18000 90.0 0.579 0.457 0.439 -0.000 0.015 0.000 3/18000 100.0 0.523 0.412 0.394 -0.000 0.013 0.000 3/18000 110.0 0.478 0.375 0.358 -0.000 0.012 0.000 3/18000 120.0 0.440 0.344 0.329 -0.000 0.011 0.000 3/18000 130.0 0.408 0.318 0.304 -0.000 0.010 0.000 3/18000 140.0 0.380 0.296 0.282 -0.000 0.009 0.000 3/18000 150.0 0.356 0.277 0.264 -0.000 0.008 0.000 3/18000 160.0 0.335 0.260 0.248 -0.000 0.008 0.000 3/18000 170.0 0.316 0.245 0.233 -0.000 0.007 0.000 3/18000 180.0 0.300 0.232 0.221 -0.000 0.007 0.000 3/18000 190.0 0.285 0.220 0.209 -0.000 0.007 0.000 3/18000 200.0 0.271 0.209 0.199 -0.000 0.006 0.000 3/18000 210.0 0.259 0.199 0.190 -0.000 0.006 0.000 3/18000 220.0 0.248 0.190 0.182 -0.000 0.006 0.000 3/18000 230.0 0.238 0.182 0.174 -0.000 0.006 0.000 3/18000 240.0 0.228 0.175 0.167 -0.000 0.006 0.000 3/18000 250.0 0.220 0.168 0.161 -0.000 0.005 0.000 3/18000 260.0 0.212 0.162 0.155 -0.000 0.005 0.000 3/18000 270.0 0.204 0.156 0.149 -0.000 0.005 0.000 3/18000 280.0 0.197 0.150 0.144 -0.000 0.005 0.000 3/18000 290.0 0.191 0.145 0.139 -0.000 0.005 0.000 3/18000 300.0 0.185 0.141 0.135 -0.000 0.005 0.000 3/18000 310.0 0.179 0.136 0.130 -0.000 0.004 0.000 3/18000 320.0 0.174 0.132 0.126 -0.000 0.004 0.000 3/18000 330.0 0.169 0.128 0.123 -0.000 0.004 0.000 3/18000 340.0 0.164 0.124 0.119 -0.000 0.004 0.000 3/18000 350.0 0.160 0.121 0.116 -0.000 0.004 0.000 3/18000 360.0 0.155 0.118 0.113 -0.000 0.004 0.000 3/18000 370.0 0.151 0.115 0.110 -0.000 0.004 0.000 3/18000 380.0 0.148 0.112 0.107 -0.000 0.004 0.000 3/18000 390.0 0.144 0.109 0.104 -0.000 0.004 0.000 3/18000 400.0 0.140 0.106 0.102 -0.000 0.004 0.000 3/18000 410.0 0.137 0.104 0.099 -0.000 0.004 0.000 3/18000 420.0 0.134 0.101 0.097 -0.000 0.004 0.000 3/18000 430.0 0.131 0.099 0.095 -0.000 0.003 0.000 3/18000 440.0 0.128 0.097 0.093 -0.000 0.003 0.000 3/18000 450.0 0.126 0.095 0.091 -0.000 0.003 0.000 3/18000 460.0 0.123 0.092 0.089 -0.000 0.003 0.000 3/18000 470.0 0.120 0.091 0.087 -0.000 0.003 0.000 3/18000 480.0 0.118 0.089 0.085 -0.000 0.003 0.000 3/18000 490.0 0.116 0.087 0.084 -0.000 0.003 0.000 3/18000 500.0 0.113 0.085 0.082 -0.000 0.003 0.000 3/18000 510.0 0.111 0.084 0.081 -0.000 0.003 0.000 3/18000 520.0 0.109 0.082 0.079 -0.000 0.003 0.000 3/18000 530.0 0.107 0.080 0.078 -0.000 0.003 0.000 3/18000 540.0 0.105 0.079 0.076 -0.000 0.003 0.000 3/18000 550.0 0.104 0.078 0.075 -0.000 0.003 0.000 3/18000 560.0 0.102 0.076 0.074 -0.000 0.003 0.000 3/18000 570.0 0.100 0.075 0.072 -0.000 0.003 0.000 3/18000 580.0 0.098 0.074 0.071 -0.000 0.003 0.000 3/18000 590.0 0.097 0.072 0.070 -0.000 0.003 0.000 3/18000 600.0 0.095 0.071 0.069 -0.000 0.003 0.000 3/18000 610.0 0.094 0.070 0.068 -0.000 0.003 0.000 3/18000 620.0 0.092 0.069 0.067 -0.000 0.003 0.000 3/18000 630.0 0.091 0.068 0.066 -0.000 0.003 0.000 3/18000 640.0 0.090 0.067 0.065 -0.000 0.003 0.000 3/18000 650.0 0.088 0.066 0.064 -0.000 0.003 0.000 3/18000 660.0 0.087 0.065 0.063 -0.000 0.002 0.000 3/18000 670.0 0.086 0.064 0.062 -0.000 0.002 0.000 3/18000 680.0 0.084 0.063 0.061 -0.000 0.002 0.000 3/18000 690.0 0.083 0.062 0.060 -0.000 0.002 0.000 3/18000 700.0 0.082 0.061 0.059 -0.000 0.002 0.000 3/18000 710.0 0.081 0.060 0.058 -0.000 0.002 0.000 3/18000 720.0 0.080 0.060 0.058 -0.000 0.002 0.000 3/18000 730.0 0.079 0.059 0.057 -0.000 0.002 0.000 3/18000 740.0 0.078 0.058 0.056 -0.000 0.002 0.000 3/18000 750.0 0.077 0.057 0.055 -0.000 0.002 0.000 3/18000 760.0 0.076 0.056 0.055 -0.000 0.002 0.000 3/18000 770.0 0.075 0.056 0.054 -0.000 0.002 0.000 3/18000 780.0 0.074 0.055 0.053 -0.000 0.002 0.000 3/18000 790.0 0.073 0.054 0.053 -0.000 0.002 0.000 3/18000 800.0 0.072 0.054 0.052 -0.000 0.002 0.000 3/18000 810.0 0.071 0.053 0.051 -0.000 0.002 0.000 3/18000 820.0 0.071 0.052 0.051 -0.000 0.002 0.000 3/18000 830.0 0.070 0.052 0.050 -0.000 0.002 0.000 3/18000 840.0 0.069 0.051 0.050 -0.000 0.002 0.000 3/18000 850.0 0.068 0.051 0.049 -0.000 0.002 0.000 3/18000 860.0 0.067 0.050 0.049 -0.000 0.002 0.000 3/18000 870.0 0.067 0.049 0.048 -0.000 0.002 0.000 3/18000 880.0 0.066 0.049 0.047 -0.000 0.002 0.000 3/18000 890.0 0.065 0.048 0.047 -0.000 0.002 0.000 3/18000 900.0 0.064 0.048 0.046 -0.000 0.002 0.000 3/18000 910.0 0.064 0.047 0.046 -0.000 0.002 0.000 3/18000 920.0 0.063 0.047 0.045 -0.000 0.002 0.000 3/18000 930.0 0.062 0.046 0.045 -0.000 0.002 0.000 3/18000 940.0 0.062 0.046 0.044 -0.000 0.002 0.000 3/18000 950.0 0.061 0.045 0.044 -0.000 0.002 0.000 3/18000 960.0 0.061 0.045 0.044 -0.000 0.002 0.000 3/18000 970.0 0.060 0.044 0.043 -0.000 0.002 0.000 3/18000 980.0 0.059 0.044 0.043 -0.000 0.002 0.000 3/18000 990.0 0.059 0.044 0.042 -0.000 0.002 0.000 3/18000 1000.0 0.058 0.043 0.042 -0.000 0.002 0.000 3/18000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:09:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|