----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:52:04]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 6.153430261865614 -2.618010735000000 0.000000000000000 b 6.153430261865614 2.618010735000000 0.000000000000000 c -1.824969670900319 0.000000000000000 5.268755502674285 Atomic positions (fractional): *1 Bi 0.25989662375034 0.74010337624966 0.75000000000000 208.980 2 Bi 0.74010337624966 0.25989662375034 0.25000000000000 208.980 *3 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 4 Bi 0.50000000000000 0.00000000000000 0.50000000000000 208.980 *5 O 0.67406038974888 0.51413296808681 0.98541001697578 15.999 *6 O 0.88905213700018 0.76819338369626 0.35560035213666 15.999 7 O 0.11094786299982 0.23180661630374 0.64439964786334 15.999 8 O 0.23180661630374 0.11094786299982 0.14439964786334 15.999 9 O 0.76819338369626 0.88905213700018 0.85560035213666 15.999 10 O 0.51413296808681 0.67406038974888 0.48541001697578 15.999 11 O 0.48586703191319 0.32593961025112 0.51458998302422 15.999 12 O 0.32593961025112 0.48586703191319 0.01458998302422 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.306860523731228 0.000000000000000 0.000000000000000 b 0.000000000000000 5.236021470000001 0.000000000000000 c -1.824969670900319 0.000000000000000 5.268755502674285 Atomic positions (fractional): *1 Bi 0.00000000000000 0.74010337624966 0.75000000000000 208.980 > 1 2 Bi 0.00000000000000 0.25989662375034 0.25000000000000 208.980 > 2 *3 Bi 0.75000000000000 0.75000000000000 0.00000000000000 208.980 > 3 4 Bi 0.75000000000000 0.25000000000000 0.50000000000000 208.980 > 4 5 Bi 0.50000000000000 0.24010337624966 0.75000000000000 208.980 > 1 6 Bi 0.50000000000000 0.75989662375034 0.25000000000000 208.980 > 2 7 Bi 0.25000000000000 0.25000000000000 0.00000000000000 208.980 > 3 8 Bi 0.25000000000000 0.75000000000000 0.50000000000000 208.980 > 4 *9 O 0.59409667891785 0.92003628916897 0.98541001697578 15.999 > 5 *10 O 0.82862276034822 0.93957062334804 0.35560035213666 15.999 > 6 11 O 0.67137723965178 0.56042937665196 0.64439964786334 15.999 > 7 12 O 0.67137723965178 0.43957062334804 0.14439964786334 15.999 > 8 13 O 0.82862276034822 0.06042937665196 0.85560035213666 15.999 > 9 14 O 0.59409667891785 0.07996371083103 0.48541001697578 15.999 > 10 15 O 0.90590332108215 0.42003628916897 0.51458998302422 15.999 > 11 16 O 0.90590332108215 0.57996371083103 0.01458998302422 15.999 > 12 17 O 0.09409667891784 0.42003628916897 0.98541001697578 15.999 > 5 18 O 0.32862276034822 0.43957062334804 0.35560035213666 15.999 > 6 19 O 0.17137723965178 0.06042937665196 0.64439964786334 15.999 > 7 20 O 0.17137723965178 0.93957062334804 0.14439964786334 15.999 > 8 21 O 0.32862276034822 0.56042937665196 0.85560035213666 15.999 > 9 22 O 0.09409667891784 0.57996371083103 0.48541001697578 15.999 > 10 23 O 0.40590332108215 0.92003628916897 0.51458998302422 15.999 > 11 24 O 0.40590332108215 0.07996371083103 0.01458998302422 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.306860523731228 0.000000000000000 0.000000000000000 b 0.000000000000000 15.708064410000002 0.000000000000000 c -3.649939341800638 0.000000000000000 10.537511005348570 Atomic positions (fractional): *1 Bi 0.00000000000000 0.24670112541655 0.37500000000000 208.980 > 1 2 Bi 0.00000000000000 0.58003445874989 0.37500000000000 208.980 > 1 3 Bi 0.00000000000000 0.91336779208322 0.37500000000000 208.980 > 1 4 Bi 0.00000000000000 0.24670112541655 0.87500000000000 208.980 > 1 5 Bi 0.00000000000000 0.58003445874989 0.87500000000000 208.980 > 1 6 Bi 0.00000000000000 0.91336779208322 0.87500000000000 208.980 > 1 7 Bi 0.00000000000000 0.08663220791678 0.12500000000000 208.980 > 2 8 Bi 0.00000000000000 0.41996554125011 0.12500000000000 208.980 > 2 9 Bi 0.00000000000000 0.75329887458345 0.12500000000000 208.980 > 2 10 Bi 0.00000000000000 0.08663220791678 0.62500000000000 208.980 > 2 11 Bi 0.00000000000000 0.41996554125011 0.62500000000000 208.980 > 2 12 Bi 0.00000000000000 0.75329887458345 0.62500000000000 208.980 > 2 *13 Bi 0.75000000000000 0.25000000000000 0.00000000000000 208.980 > 3 14 Bi 0.75000000000000 0.58333333333333 0.00000000000000 208.980 > 3 15 Bi 0.75000000000000 0.91666666666667 0.00000000000000 208.980 > 3 16 Bi 0.75000000000000 0.25000000000000 0.50000000000000 208.980 > 3 17 Bi 0.75000000000000 0.58333333333333 0.50000000000000 208.980 > 3 18 Bi 0.75000000000000 0.91666666666667 0.50000000000000 208.980 > 3 19 Bi 0.75000000000000 0.08333333333333 0.25000000000000 208.980 > 4 20 Bi 0.75000000000000 0.41666666666667 0.25000000000000 208.980 > 4 21 Bi 0.75000000000000 0.75000000000000 0.25000000000000 208.980 > 4 22 Bi 0.75000000000000 0.08333333333333 0.75000000000000 208.980 > 4 23 Bi 0.75000000000000 0.41666666666667 0.75000000000000 208.980 > 4 24 Bi 0.75000000000000 0.75000000000000 0.75000000000000 208.980 > 4 25 Bi 0.50000000000000 0.08003445874989 0.37500000000000 208.980 > 1 26 Bi 0.50000000000000 0.41336779208322 0.37500000000000 208.980 > 1 27 Bi 0.50000000000000 0.74670112541655 0.37500000000000 208.980 > 1 28 Bi 0.50000000000000 0.08003445874989 0.87500000000000 208.980 > 1 29 Bi 0.50000000000000 0.41336779208322 0.87500000000000 208.980 > 1 30 Bi 0.50000000000000 0.74670112541655 0.87500000000000 208.980 > 1 31 Bi 0.50000000000000 0.25329887458345 0.12500000000000 208.980 > 2 32 Bi 0.50000000000000 0.58663220791678 0.12500000000000 208.980 > 2 33 Bi 0.50000000000000 0.91996554125011 0.12500000000000 208.980 > 2 34 Bi 0.50000000000000 0.25329887458345 0.62500000000000 208.980 > 2 35 Bi 0.50000000000000 0.58663220791678 0.62500000000000 208.980 > 2 36 Bi 0.50000000000000 0.91996554125011 0.62500000000000 208.980 > 2 37 Bi 0.25000000000000 0.08333333333333 0.00000000000000 208.980 > 3 38 Bi 0.25000000000000 0.41666666666667 0.00000000000000 208.980 > 3 39 Bi 0.25000000000000 0.75000000000000 0.00000000000000 208.980 > 3 40 Bi 0.25000000000000 0.08333333333333 0.50000000000000 208.980 > 3 41 Bi 0.25000000000000 0.41666666666667 0.50000000000000 208.980 > 3 42 Bi 0.25000000000000 0.75000000000000 0.50000000000000 208.980 > 3 43 Bi 0.25000000000000 0.25000000000000 0.25000000000000 208.980 > 4 44 Bi 0.25000000000000 0.58333333333333 0.25000000000000 208.980 > 4 45 Bi 0.25000000000000 0.91666666666667 0.25000000000000 208.980 > 4 46 Bi 0.25000000000000 0.25000000000000 0.75000000000000 208.980 > 4 47 Bi 0.25000000000000 0.58333333333333 0.75000000000000 208.980 > 4 48 Bi 0.25000000000000 0.91666666666667 0.75000000000000 208.980 > 4 *49 O 0.59409667891785 0.30667876305632 0.49270500848789 15.999 > 5 50 O 0.59409667891785 0.64001209638966 0.49270500848789 15.999 > 5 51 O 0.59409667891785 0.97334542972299 0.49270500848789 15.999 > 5 52 O 0.59409667891785 0.30667876305632 0.99270500848789 15.999 > 5 53 O 0.59409667891785 0.64001209638966 0.99270500848789 15.999 > 5 54 O 0.59409667891785 0.97334542972299 0.99270500848789 15.999 > 5 *55 O 0.82862276034822 0.31319020778268 0.17780017606833 15.999 > 6 56 O 0.82862276034822 0.64652354111601 0.17780017606833 15.999 > 6 57 O 0.82862276034822 0.97985687444935 0.17780017606833 15.999 > 6 58 O 0.82862276034822 0.31319020778268 0.67780017606833 15.999 > 6 59 O 0.82862276034822 0.64652354111601 0.67780017606833 15.999 > 6 60 O 0.82862276034822 0.97985687444935 0.67780017606833 15.999 > 6 61 O 0.67137723965178 0.18680979221732 0.32219982393167 15.999 > 7 62 O 0.67137723965178 0.52014312555065 0.32219982393167 15.999 > 7 63 O 0.67137723965178 0.85347645888399 0.32219982393167 15.999 > 7 64 O 0.67137723965178 0.18680979221732 0.82219982393167 15.999 > 7 65 O 0.67137723965178 0.52014312555065 0.82219982393167 15.999 > 7 66 O 0.67137723965178 0.85347645888399 0.82219982393167 15.999 > 7 67 O 0.67137723965178 0.14652354111601 0.07219982393167 15.999 > 8 68 O 0.67137723965178 0.47985687444935 0.07219982393167 15.999 > 8 69 O 0.67137723965178 0.81319020778268 0.07219982393167 15.999 > 8 70 O 0.67137723965178 0.14652354111601 0.57219982393167 15.999 > 8 71 O 0.67137723965178 0.47985687444935 0.57219982393167 15.999 > 8 72 O 0.67137723965178 0.81319020778268 0.57219982393167 15.999 > 8 73 O 0.82862276034822 0.02014312555065 0.42780017606833 15.999 > 9 74 O 0.82862276034822 0.35347645888399 0.42780017606833 15.999 > 9 75 O 0.82862276034822 0.68680979221732 0.42780017606833 15.999 > 9 76 O 0.82862276034822 0.02014312555065 0.92780017606833 15.999 > 9 77 O 0.82862276034822 0.35347645888399 0.92780017606833 15.999 > 9 78 O 0.82862276034822 0.68680979221732 0.92780017606833 15.999 > 9 79 O 0.59409667891785 0.02665457027701 0.24270500848789 15.999 > 10 80 O 0.59409667891785 0.35998790361034 0.24270500848789 15.999 > 10 81 O 0.59409667891785 0.69332123694368 0.24270500848789 15.999 > 10 82 O 0.59409667891785 0.02665457027701 0.74270500848789 15.999 > 10 83 O 0.59409667891785 0.35998790361034 0.74270500848789 15.999 > 10 84 O 0.59409667891785 0.69332123694368 0.74270500848789 15.999 > 10 85 O 0.90590332108215 0.14001209638966 0.25729499151211 15.999 > 11 86 O 0.90590332108215 0.47334542972299 0.25729499151211 15.999 > 11 87 O 0.90590332108215 0.80667876305632 0.25729499151211 15.999 > 11 88 O 0.90590332108215 0.14001209638966 0.75729499151211 15.999 > 11 89 O 0.90590332108215 0.47334542972299 0.75729499151211 15.999 > 11 90 O 0.90590332108215 0.80667876305632 0.75729499151211 15.999 > 11 91 O 0.90590332108215 0.19332123694368 0.00729499151211 15.999 > 12 92 O 0.90590332108215 0.52665457027701 0.00729499151211 15.999 > 12 93 O 0.90590332108215 0.85998790361034 0.00729499151211 15.999 > 12 94 O 0.90590332108215 0.19332123694368 0.50729499151211 15.999 > 12 95 O 0.90590332108215 0.52665457027701 0.50729499151211 15.999 > 12 96 O 0.90590332108215 0.85998790361034 0.50729499151211 15.999 > 12 97 O 0.09409667891784 0.14001209638966 0.49270500848789 15.999 > 5 98 O 0.09409667891784 0.47334542972299 0.49270500848789 15.999 > 5 99 O 0.09409667891784 0.80667876305632 0.49270500848789 15.999 > 5 100 O 0.09409667891784 0.14001209638966 0.99270500848789 15.999 > 5 101 O 0.09409667891784 0.47334542972299 0.99270500848789 15.999 > 5 102 O 0.09409667891784 0.80667876305632 0.99270500848789 15.999 > 5 103 O 0.32862276034822 0.14652354111601 0.17780017606833 15.999 > 6 104 O 0.32862276034822 0.47985687444935 0.17780017606833 15.999 > 6 105 O 0.32862276034822 0.81319020778268 0.17780017606833 15.999 > 6 106 O 0.32862276034822 0.14652354111601 0.67780017606833 15.999 > 6 107 O 0.32862276034822 0.47985687444935 0.67780017606833 15.999 > 6 108 O 0.32862276034822 0.81319020778268 0.67780017606833 15.999 > 6 109 O 0.17137723965178 0.02014312555065 0.32219982393167 15.999 > 7 110 O 0.17137723965178 0.35347645888399 0.32219982393167 15.999 > 7 111 O 0.17137723965178 0.68680979221732 0.32219982393167 15.999 > 7 112 O 0.17137723965178 0.02014312555065 0.82219982393167 15.999 > 7 113 O 0.17137723965178 0.35347645888399 0.82219982393167 15.999 > 7 114 O 0.17137723965178 0.68680979221732 0.82219982393167 15.999 > 7 115 O 0.17137723965178 0.31319020778268 0.07219982393167 15.999 > 8 116 O 0.17137723965178 0.64652354111601 0.07219982393167 15.999 > 8 117 O 0.17137723965178 0.97985687444935 0.07219982393167 15.999 > 8 118 O 0.17137723965178 0.31319020778268 0.57219982393167 15.999 > 8 119 O 0.17137723965178 0.64652354111601 0.57219982393167 15.999 > 8 120 O 0.17137723965178 0.97985687444935 0.57219982393167 15.999 > 8 121 O 0.32862276034822 0.18680979221732 0.42780017606833 15.999 > 9 122 O 0.32862276034822 0.52014312555065 0.42780017606833 15.999 > 9 123 O 0.32862276034822 0.85347645888399 0.42780017606833 15.999 > 9 124 O 0.32862276034822 0.18680979221732 0.92780017606833 15.999 > 9 125 O 0.32862276034822 0.52014312555065 0.92780017606833 15.999 > 9 126 O 0.32862276034822 0.85347645888399 0.92780017606833 15.999 > 9 127 O 0.09409667891784 0.19332123694368 0.24270500848789 15.999 > 10 128 O 0.09409667891784 0.52665457027701 0.24270500848789 15.999 > 10 129 O 0.09409667891784 0.85998790361034 0.24270500848789 15.999 > 10 130 O 0.09409667891784 0.19332123694368 0.74270500848789 15.999 > 10 131 O 0.09409667891784 0.52665457027701 0.74270500848789 15.999 > 10 132 O 0.09409667891784 0.85998790361034 0.74270500848789 15.999 > 10 133 O 0.40590332108215 0.30667876305632 0.25729499151211 15.999 > 11 134 O 0.40590332108215 0.64001209638966 0.25729499151211 15.999 > 11 135 O 0.40590332108215 0.97334542972299 0.25729499151211 15.999 > 11 136 O 0.40590332108215 0.30667876305632 0.75729499151211 15.999 > 11 137 O 0.40590332108215 0.64001209638966 0.75729499151211 15.999 > 11 138 O 0.40590332108215 0.97334542972299 0.75729499151211 15.999 > 11 139 O 0.40590332108215 0.02665457027701 0.00729499151211 15.999 > 12 140 O 0.40590332108215 0.35998790361034 0.00729499151211 15.999 > 12 141 O 0.40590332108215 0.69332123694368 0.00729499151211 15.999 > 12 142 O 0.40590332108215 0.02665457027701 0.50729499151211 15.999 > 12 143 O 0.40590332108215 0.35998790361034 0.50729499151211 15.999 > 12 144 O 0.40590332108215 0.69332123694368 0.50729499151211 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3242673 0.0000000 -0.1181034 0.0000000 7.0714409 0.0000000 -0.1181113 0.0000000 7.8040798 -------------------------- Born effective charges -------------------------- 1 Bi 5.1512622 -0.0000000 -0.0536316 -0.0000000 4.2927354 0.0000000 0.0888402 0.0000000 5.0576349 2 Bi 5.1512622 -0.0000000 -0.0536316 -0.0000000 4.2927354 0.0000000 0.0888402 0.0000000 5.0576349 3 Bi 5.5615068 -0.1681205 -0.2283054 0.2758364 5.3739498 0.9119831 -0.4481356 -0.2632268 5.2024877 4 Bi 5.5615068 0.1681205 -0.2283054 -0.2758364 5.3739498 -0.9119831 -0.4481356 0.2632268 5.2024877 5 O -3.1400737 0.5768551 0.2614650 0.6769829 -2.4278208 0.5662943 0.2000763 1.0460811 -2.3219537 6 O -2.2163108 0.2411546 -0.1204965 0.3067877 -2.4055217 -0.4036408 -0.0204286 -0.8015172 -2.8081076 7 O -2.2163108 0.2411546 -0.1204965 0.3067877 -2.4055217 -0.4036408 -0.0204286 -0.8015172 -2.8081076 8 O -2.2163108 -0.2411546 -0.1204965 -0.3067877 -2.4055217 0.4036408 -0.0204286 0.8015172 -2.8081076 9 O -2.2163108 -0.2411546 -0.1204965 -0.3067877 -2.4055217 0.4036408 -0.0204286 0.8015172 -2.8081076 10 O -3.1400737 -0.5768551 0.2614650 -0.6769829 -2.4278208 -0.5662943 0.2000763 -1.0460811 -2.3219537 11 O -3.1400737 -0.5768551 0.2614650 -0.6769829 -2.4278208 -0.5662943 0.2000763 -1.0460811 -2.3219537 12 O -3.1400737 0.5768551 0.2614650 0.6769829 -2.4278208 0.5662943 0.2000763 1.0460811 -2.3219537 ---------------------------------------------------------------------------- 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: 10188/10188 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: 0.693 Solver_block: 200 / 400 - Time: 0.627 Solver_block: 300 / 400 - Time: 0.629 Solver_block: 400 / 400 - Time: 0.625 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.624 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 10188/10188 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 (yy) 0.00000000 (yy) 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 13:52:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:52:24]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [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 6.153430261865614 -2.618010735000000 0.000000000000000 b 6.153430261865614 2.618010735000000 0.000000000000000 c -1.824969670900319 0.000000000000000 5.268755502674285 Atomic positions (fractional): 1 Bi 0.25989662375034 0.74010337624966 0.75000000000000 208.980 2 Bi 0.74010337624966 0.25989662375034 0.25000000000000 208.980 3 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 4 Bi 0.50000000000000 0.00000000000000 0.50000000000000 208.980 5 O 0.67406038974888 0.51413296808681 0.98541001697578 15.999 6 O 0.88905213700018 0.76819338369626 0.35560035213666 15.999 7 O 0.11094786299982 0.23180661630374 0.64439964786334 15.999 8 O 0.23180661630374 0.11094786299982 0.14439964786334 15.999 9 O 0.76819338369626 0.88905213700018 0.85560035213666 15.999 10 O 0.51413296808681 0.67406038974888 0.48541001697578 15.999 11 O 0.48586703191319 0.32593961025112 0.51458998302422 15.999 12 O 0.32593961025112 0.48586703191319 0.01458998302422 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.306860523731228 0.000000000000000 0.000000000000000 b 0.000000000000000 15.708064410000002 0.000000000000000 c -3.649939341800638 0.000000000000000 10.537511005348570 Atomic positions (fractional): 1 Bi 0.00000000000000 0.24670112541655 0.37500000000000 208.980 > 1 2 Bi 0.00000000000000 0.58003445874989 0.37500000000000 208.980 > 1 3 Bi 0.00000000000000 0.91336779208322 0.37500000000000 208.980 > 1 4 Bi 0.00000000000000 0.24670112541655 0.87500000000000 208.980 > 1 5 Bi 0.00000000000000 0.58003445874989 0.87500000000000 208.980 > 1 6 Bi 0.00000000000000 0.91336779208322 0.87500000000000 208.980 > 1 7 Bi 0.00000000000000 0.08663220791678 0.12500000000000 208.980 > 7 8 Bi 0.00000000000000 0.41996554125011 0.12500000000000 208.980 > 7 9 Bi 0.00000000000000 0.75329887458345 0.12500000000000 208.980 > 7 10 Bi 0.00000000000000 0.08663220791678 0.62500000000000 208.980 > 7 11 Bi 0.00000000000000 0.41996554125011 0.62500000000000 208.980 > 7 12 Bi 0.00000000000000 0.75329887458345 0.62500000000000 208.980 > 7 13 Bi 0.75000000000000 0.25000000000000 0.00000000000000 208.980 > 13 14 Bi 0.75000000000000 0.58333333333333 0.00000000000000 208.980 > 13 15 Bi 0.75000000000000 0.91666666666667 0.00000000000000 208.980 > 13 16 Bi 0.75000000000000 0.25000000000000 0.50000000000000 208.980 > 13 17 Bi 0.75000000000000 0.58333333333333 0.50000000000000 208.980 > 13 18 Bi 0.75000000000000 0.91666666666667 0.50000000000000 208.980 > 13 19 Bi 0.75000000000000 0.08333333333333 0.25000000000000 208.980 > 19 20 Bi 0.75000000000000 0.41666666666667 0.25000000000000 208.980 > 19 21 Bi 0.75000000000000 0.75000000000000 0.25000000000000 208.980 > 19 22 Bi 0.75000000000000 0.08333333333333 0.75000000000000 208.980 > 19 23 Bi 0.75000000000000 0.41666666666667 0.75000000000000 208.980 > 19 24 Bi 0.75000000000000 0.75000000000000 0.75000000000000 208.980 > 19 25 Bi 0.50000000000000 0.08003445874989 0.37500000000000 208.980 > 1 26 Bi 0.50000000000000 0.41336779208322 0.37500000000000 208.980 > 1 27 Bi 0.50000000000000 0.74670112541655 0.37500000000000 208.980 > 1 28 Bi 0.50000000000000 0.08003445874989 0.87500000000000 208.980 > 1 29 Bi 0.50000000000000 0.41336779208322 0.87500000000000 208.980 > 1 30 Bi 0.50000000000000 0.74670112541655 0.87500000000000 208.980 > 1 31 Bi 0.50000000000000 0.25329887458345 0.12500000000000 208.980 > 7 32 Bi 0.50000000000000 0.58663220791678 0.12500000000000 208.980 > 7 33 Bi 0.50000000000000 0.91996554125011 0.12500000000000 208.980 > 7 34 Bi 0.50000000000000 0.25329887458345 0.62500000000000 208.980 > 7 35 Bi 0.50000000000000 0.58663220791678 0.62500000000000 208.980 > 7 36 Bi 0.50000000000000 0.91996554125011 0.62500000000000 208.980 > 7 37 Bi 0.25000000000000 0.08333333333333 0.00000000000000 208.980 > 13 38 Bi 0.25000000000000 0.41666666666667 0.00000000000000 208.980 > 13 39 Bi 0.25000000000000 0.75000000000000 0.00000000000000 208.980 > 13 40 Bi 0.25000000000000 0.08333333333333 0.50000000000000 208.980 > 13 41 Bi 0.25000000000000 0.41666666666667 0.50000000000000 208.980 > 13 42 Bi 0.25000000000000 0.75000000000000 0.50000000000000 208.980 > 13 43 Bi 0.25000000000000 0.25000000000000 0.25000000000000 208.980 > 19 44 Bi 0.25000000000000 0.58333333333333 0.25000000000000 208.980 > 19 45 Bi 0.25000000000000 0.91666666666667 0.25000000000000 208.980 > 19 46 Bi 0.25000000000000 0.25000000000000 0.75000000000000 208.980 > 19 47 Bi 0.25000000000000 0.58333333333333 0.75000000000000 208.980 > 19 48 Bi 0.25000000000000 0.91666666666667 0.75000000000000 208.980 > 19 49 O 0.59409667891785 0.30667876305632 0.49270500848789 15.999 > 49 50 O 0.59409667891785 0.64001209638966 0.49270500848789 15.999 > 49 51 O 0.59409667891785 0.97334542972299 0.49270500848789 15.999 > 49 52 O 0.59409667891785 0.30667876305632 0.99270500848789 15.999 > 49 53 O 0.59409667891785 0.64001209638966 0.99270500848789 15.999 > 49 54 O 0.59409667891785 0.97334542972299 0.99270500848789 15.999 > 49 55 O 0.82862276034822 0.31319020778268 0.17780017606833 15.999 > 55 56 O 0.82862276034822 0.64652354111601 0.17780017606833 15.999 > 55 57 O 0.82862276034822 0.97985687444935 0.17780017606833 15.999 > 55 58 O 0.82862276034822 0.31319020778268 0.67780017606833 15.999 > 55 59 O 0.82862276034822 0.64652354111601 0.67780017606833 15.999 > 55 60 O 0.82862276034822 0.97985687444935 0.67780017606833 15.999 > 55 61 O 0.67137723965178 0.18680979221732 0.32219982393167 15.999 > 61 62 O 0.67137723965178 0.52014312555065 0.32219982393167 15.999 > 61 63 O 0.67137723965178 0.85347645888399 0.32219982393167 15.999 > 61 64 O 0.67137723965178 0.18680979221732 0.82219982393167 15.999 > 61 65 O 0.67137723965178 0.52014312555065 0.82219982393167 15.999 > 61 66 O 0.67137723965178 0.85347645888399 0.82219982393167 15.999 > 61 67 O 0.67137723965178 0.14652354111601 0.07219982393167 15.999 > 67 68 O 0.67137723965178 0.47985687444935 0.07219982393167 15.999 > 67 69 O 0.67137723965178 0.81319020778268 0.07219982393167 15.999 > 67 70 O 0.67137723965178 0.14652354111601 0.57219982393167 15.999 > 67 71 O 0.67137723965178 0.47985687444935 0.57219982393167 15.999 > 67 72 O 0.67137723965178 0.81319020778268 0.57219982393167 15.999 > 67 73 O 0.82862276034822 0.02014312555065 0.42780017606833 15.999 > 73 74 O 0.82862276034822 0.35347645888399 0.42780017606833 15.999 > 73 75 O 0.82862276034822 0.68680979221732 0.42780017606833 15.999 > 73 76 O 0.82862276034822 0.02014312555065 0.92780017606833 15.999 > 73 77 O 0.82862276034822 0.35347645888399 0.92780017606833 15.999 > 73 78 O 0.82862276034822 0.68680979221732 0.92780017606833 15.999 > 73 79 O 0.59409667891785 0.02665457027701 0.24270500848789 15.999 > 79 80 O 0.59409667891785 0.35998790361034 0.24270500848789 15.999 > 79 81 O 0.59409667891785 0.69332123694368 0.24270500848789 15.999 > 79 82 O 0.59409667891785 0.02665457027701 0.74270500848789 15.999 > 79 83 O 0.59409667891785 0.35998790361034 0.74270500848789 15.999 > 79 84 O 0.59409667891785 0.69332123694368 0.74270500848789 15.999 > 79 85 O 0.90590332108215 0.14001209638966 0.25729499151211 15.999 > 85 86 O 0.90590332108215 0.47334542972299 0.25729499151211 15.999 > 85 87 O 0.90590332108215 0.80667876305632 0.25729499151211 15.999 > 85 88 O 0.90590332108215 0.14001209638966 0.75729499151211 15.999 > 85 89 O 0.90590332108215 0.47334542972299 0.75729499151211 15.999 > 85 90 O 0.90590332108215 0.80667876305632 0.75729499151211 15.999 > 85 91 O 0.90590332108215 0.19332123694368 0.00729499151211 15.999 > 91 92 O 0.90590332108215 0.52665457027701 0.00729499151211 15.999 > 91 93 O 0.90590332108215 0.85998790361034 0.00729499151211 15.999 > 91 94 O 0.90590332108215 0.19332123694368 0.50729499151211 15.999 > 91 95 O 0.90590332108215 0.52665457027701 0.50729499151211 15.999 > 91 96 O 0.90590332108215 0.85998790361034 0.50729499151211 15.999 > 91 97 O 0.09409667891784 0.14001209638966 0.49270500848789 15.999 > 49 98 O 0.09409667891784 0.47334542972299 0.49270500848789 15.999 > 49 99 O 0.09409667891784 0.80667876305632 0.49270500848789 15.999 > 49 100 O 0.09409667891784 0.14001209638966 0.99270500848789 15.999 > 49 101 O 0.09409667891784 0.47334542972299 0.99270500848789 15.999 > 49 102 O 0.09409667891784 0.80667876305632 0.99270500848789 15.999 > 49 103 O 0.32862276034822 0.14652354111601 0.17780017606833 15.999 > 55 104 O 0.32862276034822 0.47985687444935 0.17780017606833 15.999 > 55 105 O 0.32862276034822 0.81319020778268 0.17780017606833 15.999 > 55 106 O 0.32862276034822 0.14652354111601 0.67780017606833 15.999 > 55 107 O 0.32862276034822 0.47985687444935 0.67780017606833 15.999 > 55 108 O 0.32862276034822 0.81319020778268 0.67780017606833 15.999 > 55 109 O 0.17137723965178 0.02014312555065 0.32219982393167 15.999 > 61 110 O 0.17137723965178 0.35347645888399 0.32219982393167 15.999 > 61 111 O 0.17137723965178 0.68680979221732 0.32219982393167 15.999 > 61 112 O 0.17137723965178 0.02014312555065 0.82219982393167 15.999 > 61 113 O 0.17137723965178 0.35347645888399 0.82219982393167 15.999 > 61 114 O 0.17137723965178 0.68680979221732 0.82219982393167 15.999 > 61 115 O 0.17137723965178 0.31319020778268 0.07219982393167 15.999 > 67 116 O 0.17137723965178 0.64652354111601 0.07219982393167 15.999 > 67 117 O 0.17137723965178 0.97985687444935 0.07219982393167 15.999 > 67 118 O 0.17137723965178 0.31319020778268 0.57219982393167 15.999 > 67 119 O 0.17137723965178 0.64652354111601 0.57219982393167 15.999 > 67 120 O 0.17137723965178 0.97985687444935 0.57219982393167 15.999 > 67 121 O 0.32862276034822 0.18680979221732 0.42780017606833 15.999 > 73 122 O 0.32862276034822 0.52014312555065 0.42780017606833 15.999 > 73 123 O 0.32862276034822 0.85347645888399 0.42780017606833 15.999 > 73 124 O 0.32862276034822 0.18680979221732 0.92780017606833 15.999 > 73 125 O 0.32862276034822 0.52014312555065 0.92780017606833 15.999 > 73 126 O 0.32862276034822 0.85347645888399 0.92780017606833 15.999 > 73 127 O 0.09409667891784 0.19332123694368 0.24270500848789 15.999 > 79 128 O 0.09409667891784 0.52665457027701 0.24270500848789 15.999 > 79 129 O 0.09409667891784 0.85998790361034 0.24270500848789 15.999 > 79 130 O 0.09409667891784 0.19332123694368 0.74270500848789 15.999 > 79 131 O 0.09409667891784 0.52665457027701 0.74270500848789 15.999 > 79 132 O 0.09409667891784 0.85998790361034 0.74270500848789 15.999 > 79 133 O 0.40590332108215 0.30667876305632 0.25729499151211 15.999 > 85 134 O 0.40590332108215 0.64001209638966 0.25729499151211 15.999 > 85 135 O 0.40590332108215 0.97334542972299 0.25729499151211 15.999 > 85 136 O 0.40590332108215 0.30667876305632 0.75729499151211 15.999 > 85 137 O 0.40590332108215 0.64001209638966 0.75729499151211 15.999 > 85 138 O 0.40590332108215 0.97334542972299 0.75729499151211 15.999 > 85 139 O 0.40590332108215 0.02665457027701 0.00729499151211 15.999 > 91 140 O 0.40590332108215 0.35998790361034 0.00729499151211 15.999 > 91 141 O 0.40590332108215 0.69332123694368 0.00729499151211 15.999 > 91 142 O 0.40590332108215 0.02665457027701 0.50729499151211 15.999 > 91 143 O 0.40590332108215 0.35998790361034 0.50729499151211 15.999 > 91 144 O 0.40590332108215 0.69332123694368 0.50729499151211 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3242673 0.0000000 -0.1181034 0.0000000 7.0714409 0.0000000 -0.1181113 0.0000000 7.8040798 -------------------------- Born effective charges -------------------------- 1 Bi 5.1512622 -0.0000000 -0.0536316 -0.0000000 4.2927354 0.0000000 0.0888402 0.0000000 5.0576349 2 Bi 5.1512622 -0.0000000 -0.0536316 -0.0000000 4.2927354 0.0000000 0.0888402 0.0000000 5.0576349 3 Bi 5.5615068 -0.1681205 -0.2283054 0.2758364 5.3739498 0.9119831 -0.4481356 -0.2632268 5.2024877 4 Bi 5.5615068 0.1681205 -0.2283054 -0.2758364 5.3739498 -0.9119831 -0.4481356 0.2632268 5.2024877 5 O -3.1400737 0.5768551 0.2614650 0.6769829 -2.4278208 0.5662943 0.2000763 1.0460811 -2.3219537 6 O -2.2163108 0.2411546 -0.1204965 0.3067877 -2.4055217 -0.4036408 -0.0204286 -0.8015172 -2.8081076 7 O -2.2163108 0.2411546 -0.1204965 0.3067877 -2.4055217 -0.4036408 -0.0204286 -0.8015172 -2.8081076 8 O -2.2163108 -0.2411546 -0.1204965 -0.3067877 -2.4055217 0.4036408 -0.0204286 0.8015172 -2.8081076 9 O -2.2163108 -0.2411546 -0.1204965 -0.3067877 -2.4055217 0.4036408 -0.0204286 0.8015172 -2.8081076 10 O -3.1400737 -0.5768551 0.2614650 -0.6769829 -2.4278208 -0.5662943 0.2000763 -1.0460811 -2.3219537 11 O -3.1400737 -0.5768551 0.2614650 -0.6769829 -2.4278208 -0.5662943 0.2000763 -1.0460811 -2.3219537 12 O -3.1400737 0.5768551 0.2614650 0.6769829 -2.4278208 0.5662943 0.2000763 1.0460811 -2.3219537 ---------------------------------------------------------------------------- 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 13, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 55, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:52:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:52:45]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [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 6.153430261865614 -2.618010735000000 0.000000000000000 b 6.153430261865614 2.618010735000000 0.000000000000000 c -1.824969670900319 0.000000000000000 5.268755502674285 Atomic positions (fractional): 1 Bi 0.25989662375034 0.74010337624966 0.75000000000000 208.980 2 Bi 0.74010337624966 0.25989662375034 0.25000000000000 208.980 3 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 4 Bi 0.50000000000000 0.00000000000000 0.50000000000000 208.980 5 O 0.67406038974888 0.51413296808681 0.98541001697578 15.999 6 O 0.88905213700018 0.76819338369626 0.35560035213666 15.999 7 O 0.11094786299982 0.23180661630374 0.64439964786334 15.999 8 O 0.23180661630374 0.11094786299982 0.14439964786334 15.999 9 O 0.76819338369626 0.88905213700018 0.85560035213666 15.999 10 O 0.51413296808681 0.67406038974888 0.48541001697578 15.999 11 O 0.48586703191319 0.32593961025112 0.51458998302422 15.999 12 O 0.32593961025112 0.48586703191319 0.01458998302422 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.306860523731228 0.000000000000000 0.000000000000000 b 0.000000000000000 15.708064410000002 0.000000000000000 c -3.649939341800638 0.000000000000000 10.537511005348570 Atomic positions (fractional): 1 Bi 0.00000000000000 0.24670112541655 0.37500000000000 208.980 > 1 2 Bi 0.00000000000000 0.58003445874989 0.37500000000000 208.980 > 1 3 Bi 0.00000000000000 0.91336779208322 0.37500000000000 208.980 > 1 4 Bi 0.00000000000000 0.24670112541655 0.87500000000000 208.980 > 1 5 Bi 0.00000000000000 0.58003445874989 0.87500000000000 208.980 > 1 6 Bi 0.00000000000000 0.91336779208322 0.87500000000000 208.980 > 1 7 Bi 0.00000000000000 0.08663220791678 0.12500000000000 208.980 > 7 8 Bi 0.00000000000000 0.41996554125011 0.12500000000000 208.980 > 7 9 Bi 0.00000000000000 0.75329887458345 0.12500000000000 208.980 > 7 10 Bi 0.00000000000000 0.08663220791678 0.62500000000000 208.980 > 7 11 Bi 0.00000000000000 0.41996554125011 0.62500000000000 208.980 > 7 12 Bi 0.00000000000000 0.75329887458345 0.62500000000000 208.980 > 7 13 Bi 0.75000000000000 0.25000000000000 0.00000000000000 208.980 > 13 14 Bi 0.75000000000000 0.58333333333333 0.00000000000000 208.980 > 13 15 Bi 0.75000000000000 0.91666666666667 0.00000000000000 208.980 > 13 16 Bi 0.75000000000000 0.25000000000000 0.50000000000000 208.980 > 13 17 Bi 0.75000000000000 0.58333333333333 0.50000000000000 208.980 > 13 18 Bi 0.75000000000000 0.91666666666667 0.50000000000000 208.980 > 13 19 Bi 0.75000000000000 0.08333333333333 0.25000000000000 208.980 > 19 20 Bi 0.75000000000000 0.41666666666667 0.25000000000000 208.980 > 19 21 Bi 0.75000000000000 0.75000000000000 0.25000000000000 208.980 > 19 22 Bi 0.75000000000000 0.08333333333333 0.75000000000000 208.980 > 19 23 Bi 0.75000000000000 0.41666666666667 0.75000000000000 208.980 > 19 24 Bi 0.75000000000000 0.75000000000000 0.75000000000000 208.980 > 19 25 Bi 0.50000000000000 0.08003445874989 0.37500000000000 208.980 > 1 26 Bi 0.50000000000000 0.41336779208322 0.37500000000000 208.980 > 1 27 Bi 0.50000000000000 0.74670112541655 0.37500000000000 208.980 > 1 28 Bi 0.50000000000000 0.08003445874989 0.87500000000000 208.980 > 1 29 Bi 0.50000000000000 0.41336779208322 0.87500000000000 208.980 > 1 30 Bi 0.50000000000000 0.74670112541655 0.87500000000000 208.980 > 1 31 Bi 0.50000000000000 0.25329887458345 0.12500000000000 208.980 > 7 32 Bi 0.50000000000000 0.58663220791678 0.12500000000000 208.980 > 7 33 Bi 0.50000000000000 0.91996554125011 0.12500000000000 208.980 > 7 34 Bi 0.50000000000000 0.25329887458345 0.62500000000000 208.980 > 7 35 Bi 0.50000000000000 0.58663220791678 0.62500000000000 208.980 > 7 36 Bi 0.50000000000000 0.91996554125011 0.62500000000000 208.980 > 7 37 Bi 0.25000000000000 0.08333333333333 0.00000000000000 208.980 > 13 38 Bi 0.25000000000000 0.41666666666667 0.00000000000000 208.980 > 13 39 Bi 0.25000000000000 0.75000000000000 0.00000000000000 208.980 > 13 40 Bi 0.25000000000000 0.08333333333333 0.50000000000000 208.980 > 13 41 Bi 0.25000000000000 0.41666666666667 0.50000000000000 208.980 > 13 42 Bi 0.25000000000000 0.75000000000000 0.50000000000000 208.980 > 13 43 Bi 0.25000000000000 0.25000000000000 0.25000000000000 208.980 > 19 44 Bi 0.25000000000000 0.58333333333333 0.25000000000000 208.980 > 19 45 Bi 0.25000000000000 0.91666666666667 0.25000000000000 208.980 > 19 46 Bi 0.25000000000000 0.25000000000000 0.75000000000000 208.980 > 19 47 Bi 0.25000000000000 0.58333333333333 0.75000000000000 208.980 > 19 48 Bi 0.25000000000000 0.91666666666667 0.75000000000000 208.980 > 19 49 O 0.59409667891785 0.30667876305632 0.49270500848789 15.999 > 49 50 O 0.59409667891785 0.64001209638966 0.49270500848789 15.999 > 49 51 O 0.59409667891785 0.97334542972299 0.49270500848789 15.999 > 49 52 O 0.59409667891785 0.30667876305632 0.99270500848789 15.999 > 49 53 O 0.59409667891785 0.64001209638966 0.99270500848789 15.999 > 49 54 O 0.59409667891785 0.97334542972299 0.99270500848789 15.999 > 49 55 O 0.82862276034822 0.31319020778268 0.17780017606833 15.999 > 55 56 O 0.82862276034822 0.64652354111601 0.17780017606833 15.999 > 55 57 O 0.82862276034822 0.97985687444935 0.17780017606833 15.999 > 55 58 O 0.82862276034822 0.31319020778268 0.67780017606833 15.999 > 55 59 O 0.82862276034822 0.64652354111601 0.67780017606833 15.999 > 55 60 O 0.82862276034822 0.97985687444935 0.67780017606833 15.999 > 55 61 O 0.67137723965178 0.18680979221732 0.32219982393167 15.999 > 61 62 O 0.67137723965178 0.52014312555065 0.32219982393167 15.999 > 61 63 O 0.67137723965178 0.85347645888399 0.32219982393167 15.999 > 61 64 O 0.67137723965178 0.18680979221732 0.82219982393167 15.999 > 61 65 O 0.67137723965178 0.52014312555065 0.82219982393167 15.999 > 61 66 O 0.67137723965178 0.85347645888399 0.82219982393167 15.999 > 61 67 O 0.67137723965178 0.14652354111601 0.07219982393167 15.999 > 67 68 O 0.67137723965178 0.47985687444935 0.07219982393167 15.999 > 67 69 O 0.67137723965178 0.81319020778268 0.07219982393167 15.999 > 67 70 O 0.67137723965178 0.14652354111601 0.57219982393167 15.999 > 67 71 O 0.67137723965178 0.47985687444935 0.57219982393167 15.999 > 67 72 O 0.67137723965178 0.81319020778268 0.57219982393167 15.999 > 67 73 O 0.82862276034822 0.02014312555065 0.42780017606833 15.999 > 73 74 O 0.82862276034822 0.35347645888399 0.42780017606833 15.999 > 73 75 O 0.82862276034822 0.68680979221732 0.42780017606833 15.999 > 73 76 O 0.82862276034822 0.02014312555065 0.92780017606833 15.999 > 73 77 O 0.82862276034822 0.35347645888399 0.92780017606833 15.999 > 73 78 O 0.82862276034822 0.68680979221732 0.92780017606833 15.999 > 73 79 O 0.59409667891785 0.02665457027701 0.24270500848789 15.999 > 79 80 O 0.59409667891785 0.35998790361034 0.24270500848789 15.999 > 79 81 O 0.59409667891785 0.69332123694368 0.24270500848789 15.999 > 79 82 O 0.59409667891785 0.02665457027701 0.74270500848789 15.999 > 79 83 O 0.59409667891785 0.35998790361034 0.74270500848789 15.999 > 79 84 O 0.59409667891785 0.69332123694368 0.74270500848789 15.999 > 79 85 O 0.90590332108215 0.14001209638966 0.25729499151211 15.999 > 85 86 O 0.90590332108215 0.47334542972299 0.25729499151211 15.999 > 85 87 O 0.90590332108215 0.80667876305632 0.25729499151211 15.999 > 85 88 O 0.90590332108215 0.14001209638966 0.75729499151211 15.999 > 85 89 O 0.90590332108215 0.47334542972299 0.75729499151211 15.999 > 85 90 O 0.90590332108215 0.80667876305632 0.75729499151211 15.999 > 85 91 O 0.90590332108215 0.19332123694368 0.00729499151211 15.999 > 91 92 O 0.90590332108215 0.52665457027701 0.00729499151211 15.999 > 91 93 O 0.90590332108215 0.85998790361034 0.00729499151211 15.999 > 91 94 O 0.90590332108215 0.19332123694368 0.50729499151211 15.999 > 91 95 O 0.90590332108215 0.52665457027701 0.50729499151211 15.999 > 91 96 O 0.90590332108215 0.85998790361034 0.50729499151211 15.999 > 91 97 O 0.09409667891784 0.14001209638966 0.49270500848789 15.999 > 49 98 O 0.09409667891784 0.47334542972299 0.49270500848789 15.999 > 49 99 O 0.09409667891784 0.80667876305632 0.49270500848789 15.999 > 49 100 O 0.09409667891784 0.14001209638966 0.99270500848789 15.999 > 49 101 O 0.09409667891784 0.47334542972299 0.99270500848789 15.999 > 49 102 O 0.09409667891784 0.80667876305632 0.99270500848789 15.999 > 49 103 O 0.32862276034822 0.14652354111601 0.17780017606833 15.999 > 55 104 O 0.32862276034822 0.47985687444935 0.17780017606833 15.999 > 55 105 O 0.32862276034822 0.81319020778268 0.17780017606833 15.999 > 55 106 O 0.32862276034822 0.14652354111601 0.67780017606833 15.999 > 55 107 O 0.32862276034822 0.47985687444935 0.67780017606833 15.999 > 55 108 O 0.32862276034822 0.81319020778268 0.67780017606833 15.999 > 55 109 O 0.17137723965178 0.02014312555065 0.32219982393167 15.999 > 61 110 O 0.17137723965178 0.35347645888399 0.32219982393167 15.999 > 61 111 O 0.17137723965178 0.68680979221732 0.32219982393167 15.999 > 61 112 O 0.17137723965178 0.02014312555065 0.82219982393167 15.999 > 61 113 O 0.17137723965178 0.35347645888399 0.82219982393167 15.999 > 61 114 O 0.17137723965178 0.68680979221732 0.82219982393167 15.999 > 61 115 O 0.17137723965178 0.31319020778268 0.07219982393167 15.999 > 67 116 O 0.17137723965178 0.64652354111601 0.07219982393167 15.999 > 67 117 O 0.17137723965178 0.97985687444935 0.07219982393167 15.999 > 67 118 O 0.17137723965178 0.31319020778268 0.57219982393167 15.999 > 67 119 O 0.17137723965178 0.64652354111601 0.57219982393167 15.999 > 67 120 O 0.17137723965178 0.97985687444935 0.57219982393167 15.999 > 67 121 O 0.32862276034822 0.18680979221732 0.42780017606833 15.999 > 73 122 O 0.32862276034822 0.52014312555065 0.42780017606833 15.999 > 73 123 O 0.32862276034822 0.85347645888399 0.42780017606833 15.999 > 73 124 O 0.32862276034822 0.18680979221732 0.92780017606833 15.999 > 73 125 O 0.32862276034822 0.52014312555065 0.92780017606833 15.999 > 73 126 O 0.32862276034822 0.85347645888399 0.92780017606833 15.999 > 73 127 O 0.09409667891784 0.19332123694368 0.24270500848789 15.999 > 79 128 O 0.09409667891784 0.52665457027701 0.24270500848789 15.999 > 79 129 O 0.09409667891784 0.85998790361034 0.24270500848789 15.999 > 79 130 O 0.09409667891784 0.19332123694368 0.74270500848789 15.999 > 79 131 O 0.09409667891784 0.52665457027701 0.74270500848789 15.999 > 79 132 O 0.09409667891784 0.85998790361034 0.74270500848789 15.999 > 79 133 O 0.40590332108215 0.30667876305632 0.25729499151211 15.999 > 85 134 O 0.40590332108215 0.64001209638966 0.25729499151211 15.999 > 85 135 O 0.40590332108215 0.97334542972299 0.25729499151211 15.999 > 85 136 O 0.40590332108215 0.30667876305632 0.75729499151211 15.999 > 85 137 O 0.40590332108215 0.64001209638966 0.75729499151211 15.999 > 85 138 O 0.40590332108215 0.97334542972299 0.75729499151211 15.999 > 85 139 O 0.40590332108215 0.02665457027701 0.00729499151211 15.999 > 91 140 O 0.40590332108215 0.35998790361034 0.00729499151211 15.999 > 91 141 O 0.40590332108215 0.69332123694368 0.00729499151211 15.999 > 91 142 O 0.40590332108215 0.02665457027701 0.50729499151211 15.999 > 91 143 O 0.40590332108215 0.35998790361034 0.50729499151211 15.999 > 91 144 O 0.40590332108215 0.69332123694368 0.50729499151211 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.3242673 0.0000000 -0.1181034 0.0000000 7.0714409 0.0000000 -0.1181113 0.0000000 7.8040798 -------------------------- Born effective charges -------------------------- 1 Bi 5.1512622 -0.0000000 -0.0536316 -0.0000000 4.2927354 0.0000000 0.0888402 0.0000000 5.0576349 2 Bi 5.1512622 -0.0000000 -0.0536316 -0.0000000 4.2927354 0.0000000 0.0888402 0.0000000 5.0576349 3 Bi 5.5615068 -0.1681205 -0.2283054 0.2758364 5.3739498 0.9119831 -0.4481356 -0.2632268 5.2024877 4 Bi 5.5615068 0.1681205 -0.2283054 -0.2758364 5.3739498 -0.9119831 -0.4481356 0.2632268 5.2024877 5 O -3.1400737 0.5768551 0.2614650 0.6769829 -2.4278208 0.5662943 0.2000763 1.0460811 -2.3219537 6 O -2.2163108 0.2411546 -0.1204965 0.3067877 -2.4055217 -0.4036408 -0.0204286 -0.8015172 -2.8081076 7 O -2.2163108 0.2411546 -0.1204965 0.3067877 -2.4055217 -0.4036408 -0.0204286 -0.8015172 -2.8081076 8 O -2.2163108 -0.2411546 -0.1204965 -0.3067877 -2.4055217 0.4036408 -0.0204286 0.8015172 -2.8081076 9 O -2.2163108 -0.2411546 -0.1204965 -0.3067877 -2.4055217 0.4036408 -0.0204286 0.8015172 -2.8081076 10 O -3.1400737 -0.5768551 0.2614650 -0.6769829 -2.4278208 -0.5662943 0.2000763 -1.0460811 -2.3219537 11 O -3.1400737 -0.5768551 0.2614650 -0.6769829 -2.4278208 -0.5662943 0.2000763 -1.0460811 -2.3219537 12 O -3.1400737 0.5768551 0.2614650 0.6769829 -2.4278208 0.5662943 0.2000763 1.0460811 -2.3219537 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.75, Number of G-points: 291, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/251) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.573 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 7.780 ( 0.000 0.000 0.000) 0.000 10.162 ( 0.000 0.000 0.000) 0.000 10.508 ( 0.000 0.000 0.000) 0.000 10.764 ( 0.000 0.000 0.000) 0.000 10.834 ( 0.000 0.000 0.000) 0.000 11.126 ( 0.000 0.000 0.000) 0.000 12.289 ( 0.000 0.000 0.000) 0.000 13.102 ( 0.000 0.000 0.000) 0.000 14.395 ( 0.000 0.000 0.000) 0.000 14.614 ( 0.000 0.000 0.000) 0.000 14.793 ( 0.000 0.000 0.000) 0.000 16.047 ( 0.000 0.000 0.000) 0.000 16.330 ( 0.000 0.000 0.000) 0.000 16.848 ( 0.000 0.000 0.000) 0.000 17.231 ( 0.000 0.000 0.000) 0.000 18.930 ( 0.000 0.000 0.000) 0.000 19.212 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/251) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 12.691 -16.747 -1.703) 21.081 0.551 ( 11.351 -23.143 -0.759) 25.788 0.804 ( 8.649 -36.421 -0.344) 37.436 1.645 ( 4.162 -5.474 1.012) 6.951 1.743 ( 0.572 -7.092 -0.515) 7.134 2.815 ( -1.099 -1.051 -0.494) 1.599 2.992 ( -4.004 -0.312 6.477) 7.621 3.334 ( -1.069 -4.362 -0.087) 4.492 3.637 ( -14.371 4.850 4.662) 15.868 3.811 ( 9.363 4.399 -5.704) 11.813 3.870 ( 28.451 10.070 2.887) 30.318 4.259 ( -0.352 -3.310 1.700) 3.738 4.818 ( 2.828 2.469 -0.107) 3.756 5.388 ( 2.535 0.789 0.525) 2.707 5.592 ( -1.469 1.560 -5.469) 5.874 5.832 ( 0.673 1.654 0.349) 1.820 6.220 ( -0.035 6.372 6.382) 9.019 6.904 ( -24.671 -16.534 -3.408) 29.894 7.313 ( -1.200 -0.956 -0.067) 1.536 8.094 ( -31.140 -7.309 -5.918) 32.529 10.213 ( 10.742 2.331 -10.938) 15.507 10.614 ( -11.578 -5.281 -21.534) 25.013 10.965 ( 4.417 -7.015 2.156) 8.566 11.133 ( 4.890 1.339 -0.766) 5.128 11.696 ( 37.446 22.557 21.991) 48.935 12.358 ( -0.186 -6.784 3.776) 7.767 13.089 ( -0.643 1.414 1.346) 2.056 14.301 ( -1.726 10.139 -1.300) 10.366 14.679 ( -6.594 -3.942 3.260) 8.346 14.852 ( 10.398 4.333 12.555) 16.868 16.250 ( -4.115 6.086 -0.156) 7.348 16.739 ( -29.923 -16.210 3.036) 34.166 17.115 ( 15.216 6.919 0.789) 16.734 18.597 ( 3.945 0.418 -9.384) 10.189 18.908 ( -1.394 1.767 -0.219) 2.261 19.228 ( -1.126 -2.038 0.820) 2.469 ======================= Grid point 2 (3/251) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 9.312 -15.778 -1.295) 18.367 1.047 ( 10.512 -19.273 0.207) 21.954 1.453 ( 0.197 -25.391 -3.476) 25.629 1.863 ( 11.414 -11.187 0.196) 15.983 1.961 ( 1.084 -14.598 2.390) 14.832 2.836 ( -1.360 -2.604 -0.119) 2.940 2.987 ( -3.378 -1.129 1.677) 3.936 3.382 ( -6.416 -0.712 -1.165) 6.560 3.495 ( -8.321 -2.346 6.593) 10.872 3.769 ( 5.422 4.518 -2.589) 7.518 3.925 ( 11.433 1.770 -0.528) 11.582 4.281 ( -0.973 1.599 2.656) 3.249 4.788 ( 2.952 3.040 -1.681) 4.559 5.382 ( -0.753 0.493 -3.210) 3.334 5.532 ( 3.010 3.727 -3.070) 5.690 5.805 ( 1.376 2.197 2.941) 3.920 6.094 ( 1.560 9.149 7.684) 12.049 7.010 ( -11.775 -9.894 -1.518) 15.454 7.319 ( -1.423 -0.965 -1.510) 2.288 7.917 ( -17.959 2.763 -5.558) 19.002 10.237 ( 3.172 -0.728 -1.119) 3.442 10.600 ( -6.821 -6.208 -15.246) 17.819 11.104 ( -0.999 -5.248 -7.250) 9.006 11.144 ( 11.025 4.222 4.044) 12.479 11.612 ( 11.530 11.814 12.034) 20.429 12.560 ( -1.683 -13.194 5.809) 14.514 13.041 ( -1.552 3.398 2.378) 4.428 14.081 ( 0.684 11.549 -1.142) 11.625 14.649 ( -7.044 0.984 7.492) 10.330 14.921 ( 6.323 -1.168 1.151) 6.533 16.050 ( -5.069 10.324 -0.560) 11.515 16.818 ( -17.273 -10.346 3.070) 20.367 17.113 ( 11.522 4.636 2.211) 12.615 18.598 ( 7.371 1.871 -7.877) 10.949 18.843 ( -3.313 2.862 1.436) 4.607 19.273 ( -1.393 -3.222 1.312) 3.748 ======================= Grid point 3 (4/251) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 5.421 -13.674 -0.914) 14.738 1.453 ( 8.706 -14.763 1.374) 17.194 1.743 ( -1.681 -9.331 -1.980) 9.686 2.196 ( 10.853 -10.509 -3.625) 15.536 2.288 ( 0.429 -17.119 1.673) 17.206 2.906 ( -3.884 -7.112 -0.397) 8.113 2.969 ( -2.539 0.894 -3.783) 4.643 3.379 ( -4.679 -5.973 9.852) 12.435 3.531 ( -2.543 -1.144 -0.382) 2.814 3.746 ( 2.824 0.017 0.275) 2.837 3.975 ( 4.643 -0.213 -1.984) 5.054 4.208 ( 1.265 6.054 6.092) 8.681 4.734 ( -0.569 2.502 -5.932) 6.463 5.353 ( -4.907 -1.593 -5.169) 7.303 5.465 ( 6.822 7.908 1.761) 10.591 5.802 ( 2.200 0.591 3.878) 4.498 5.946 ( 2.518 9.818 5.856) 11.705 7.062 ( -8.244 -4.158 0.091) 9.233 7.323 ( -0.072 -0.926 -3.523) 3.643 7.688 ( -13.872 5.365 -5.281) 15.783 10.284 ( 1.451 -2.168 0.651) 2.689 10.633 ( -5.535 -5.547 -9.540) 12.346 11.078 ( 8.046 7.031 -4.803) 11.715 11.204 ( 1.732 -4.207 -7.644) 8.895 11.512 ( 1.284 7.425 13.523) 15.481 12.828 ( -4.074 -14.034 6.365) 15.940 12.945 ( -2.641 5.191 2.560) 6.362 13.880 ( 3.587 10.574 -2.311) 11.402 14.626 ( -4.919 -2.325 8.683) 10.247 14.981 ( 3.667 -0.856 -2.277) 4.401 15.787 ( -4.664 12.351 -0.704) 13.221 16.844 ( -7.032 -2.057 1.387) 7.456 17.155 ( 4.049 -1.318 4.225) 5.999 18.585 ( 7.368 3.385 -11.139) 13.777 18.776 ( -3.475 1.482 5.643) 6.791 19.330 ( -0.982 -3.165 1.261) 3.546 ======================= Grid point 4 (5/251) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 2.110 -8.239 -0.611) 8.527 1.752 ( 4.927 -9.545 1.852) 10.900 1.843 ( 0.062 -3.023 -0.721) 3.108 2.371 ( 10.323 -2.421 -3.877) 11.289 2.564 ( -5.881 -8.478 1.975) 10.505 2.926 ( -0.955 -5.280 -6.801) 8.662 3.055 ( -3.635 -8.959 3.380) 10.243 3.438 ( -2.868 2.573 1.512) 4.139 3.524 ( -0.888 0.456 2.070) 2.298 3.781 ( 2.312 0.719 1.287) 2.742 3.988 ( 1.166 -0.549 -2.525) 2.835 4.210 ( 5.654 -2.473 9.337) 11.192 4.660 ( -3.750 1.000 -7.716) 8.637 5.323 ( -1.239 2.535 -3.999) 4.894 5.361 ( 1.325 4.878 3.233) 6.000 5.792 ( 1.602 5.839 5.369) 8.092 5.852 ( 2.940 0.660 0.736) 3.102 7.048 ( -4.582 -0.498 0.247) 4.616 7.333 ( 2.056 -0.273 -3.358) 3.947 7.486 ( -10.257 3.561 -3.099) 11.291 10.341 ( 1.126 -2.299 0.388) 2.589 10.650 ( -5.066 -2.658 -3.768) 6.851 10.981 ( 5.626 6.925 -2.327) 9.221 11.280 ( 5.329 -3.974 -17.811) 19.011 11.439 ( -4.826 3.058 17.979) 18.865 12.811 ( -2.820 5.358 2.617) 6.596 13.048 ( -4.634 -9.521 3.744) 11.231 13.732 ( 4.229 7.292 -2.415) 8.769 14.721 ( -1.761 -7.305 9.208) 11.885 14.995 ( 2.606 1.298 -5.675) 6.378 15.525 ( -3.649 10.390 -0.170) 11.013 16.812 ( -1.396 1.370 0.240) 1.971 17.229 ( -0.045 -2.868 3.541) 4.557 18.531 ( 3.055 3.156 -7.892) 9.032 18.765 ( -0.735 -0.025 4.277) 4.340 19.378 ( -0.413 -1.969 0.764) 2.152 ======================= Grid point 5 (6/251) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.000 -0.000 0.000) 0.000 1.870 ( 0.000 0.000 0.000) 0.000 1.872 ( -0.000 -0.000 -0.000) 0.000 2.492 ( 0.000 -0.000 0.000) 0.000 2.514 ( -0.000 -0.000 0.000) 0.000 3.058 ( 0.000 -0.000 -0.000) 0.000 3.144 ( -0.000 0.000 0.000) 0.000 3.409 ( -0.000 0.000 0.000) 0.000 3.426 ( 0.000 -0.000 -0.000) 0.000 3.784 ( -0.000 -0.000 -0.000) 0.000 4.005 ( 0.000 -0.000 0.000) 0.000 4.319 ( 0.000 -0.000 0.000) 0.000 4.614 ( 0.000 -0.000 0.000) 0.000 5.255 ( 0.000 -0.000 0.000) 0.000 5.337 ( -0.000 -0.000 -0.000) 0.000 5.742 ( 0.000 -0.000 -0.000) 0.000 5.868 ( -0.000 -0.000 0.000) 0.000 7.031 ( 0.000 -0.000 0.000) 0.000 7.345 ( 0.000 -0.000 0.000) 0.000 7.395 ( 0.000 -0.000 0.000) 0.000 10.373 ( -0.000 -0.000 0.000) 0.000 10.645 ( 0.000 -0.000 0.000) 0.000 10.928 ( -0.000 -0.000 0.000) 0.000 11.316 ( -0.000 -0.000 0.000) 0.000 11.420 ( 0.000 -0.000 -0.000) 0.000 12.744 ( 0.000 -0.000 0.000) 0.000 13.128 ( 0.000 -0.000 -0.000) 0.000 13.672 ( -0.000 -0.000 0.000) 0.000 14.853 ( 0.000 0.000 -0.000) 0.000 14.947 ( -0.000 -0.000 0.000) 0.000 15.394 ( 0.000 -0.000 0.000) 0.000 16.791 ( 0.000 -0.000 -0.000) 0.000 17.264 ( -0.000 -0.000 0.000) 0.000 18.498 ( -0.000 -0.000 0.000) 0.000 18.771 ( 0.000 -0.000 -0.000) 0.000 19.397 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/251) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.260 ( 16.036 0.000 0.515) 16.044 0.344 ( 20.107 0.000 1.857) 20.192 0.707 ( 43.696 0.000 -1.890) 43.737 1.594 ( 2.632 0.000 0.106) 2.635 1.674 ( -0.752 -0.000 -2.748) 2.849 2.781 ( -2.092 -0.000 -0.018) 2.092 2.937 ( -8.719 -0.000 1.705) 8.884 3.314 ( 0.979 0.000 2.835) 3.000 3.560 ( -18.027 -0.000 3.986) 18.463 3.893 ( 4.822 0.000 -9.299) 10.475 4.221 ( 0.483 0.000 3.919) 3.949 4.816 ( 0.970 0.000 -5.366) 5.453 5.050 ( 2.293 0.000 -17.471) 17.621 5.357 ( 7.996 0.000 12.106) 14.509 5.543 ( 7.400 0.000 1.434) 7.537 5.663 ( -2.144 -0.000 -9.735) 9.968 5.974 ( -6.166 -0.000 19.992) 20.921 6.320 ( 1.918 0.000 7.837) 8.068 7.285 ( -3.384 -0.000 1.665) 3.772 7.718 ( -6.065 -0.000 -3.772) 7.142 10.326 ( 9.395 0.000 -31.869) 33.225 10.464 ( -3.418 -0.000 -3.314) 4.761 10.845 ( 1.752 0.000 -0.993) 2.014 11.207 ( 6.893 0.000 6.100) 9.204 12.256 ( -1.557 -0.000 -4.993) 5.230 12.659 ( 5.147 0.000 -7.104) 8.773 13.075 ( -3.591 -0.000 1.533) 3.905 14.382 ( -1.027 -0.000 -1.861) 2.126 14.592 ( -4.045 -0.000 4.371) 5.955 15.263 ( -15.607 -0.000 50.132) 52.505 15.989 ( -8.997 -0.000 4.478) 10.050 16.267 ( -5.023 -0.000 -0.759) 5.080 17.364 ( 14.513 0.000 -0.534) 14.523 18.488 ( 0.481 0.000 -17.255) 17.262 18.908 ( -2.691 -0.000 -0.170) 2.696 19.253 ( 4.503 0.000 0.307) 4.514 ======================= Grid point 13 (8/251) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 15.160 -16.194 -8.226) 23.658 0.792 ( 10.698 -21.277 7.557) 24.986 1.118 ( 27.682 -10.373 -2.515) 29.669 1.717 ( 0.746 -8.028 1.662) 8.232 1.772 ( 7.311 -11.082 -0.491) 13.285 2.779 ( -3.538 -1.753 -0.340) 3.963 2.897 ( -8.010 -3.220 -0.638) 8.656 3.325 ( -3.255 0.813 -1.609) 3.721 3.413 ( -13.016 -0.178 5.082) 13.974 3.861 ( 1.454 2.721 -6.939) 7.593 4.236 ( 5.922 6.053 0.127) 8.469 4.355 ( 12.358 19.082 8.294) 24.200 4.882 ( 4.612 3.805 -3.690) 7.026 5.434 ( 0.610 5.570 -5.279) 7.698 5.554 ( 3.874 -2.968 0.945) 4.971 5.864 ( 2.915 0.424 0.913) 3.084 6.267 ( -2.851 1.750 13.822) 14.221 6.488 ( -14.528 -28.987 -4.193) 32.694 7.268 ( -4.675 -1.164 1.183) 4.961 7.709 ( -14.347 -4.801 -6.595) 16.504 10.284 ( 4.537 2.559 -8.190) 9.706 10.423 ( -4.735 -2.349 -9.473) 10.848 10.954 ( 0.942 -7.286 -4.945) 8.856 11.280 ( 7.982 1.227 5.847) 9.970 12.137 ( 10.860 18.785 -4.894) 22.244 12.429 ( 2.561 3.938 13.307) 14.112 13.065 ( -3.651 0.266 2.436) 4.398 14.272 ( -0.732 8.187 -1.623) 8.379 14.599 ( -7.171 -1.725 6.090) 9.565 15.060 ( 4.361 9.678 13.941) 17.522 16.156 ( -7.906 4.231 2.904) 9.426 16.323 ( -20.286 -22.035 3.558) 30.161 17.394 ( 18.611 8.104 0.239) 20.301 18.535 ( -4.393 -6.713 -9.180) 12.192 18.861 ( -3.888 1.985 -0.795) 4.437 19.274 ( 5.079 1.115 2.279) 5.677 ======================= Grid point 14 (9/251) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 12.509 -12.493 -4.433) 18.226 1.254 ( 10.814 -16.052 3.868) 19.738 1.489 ( 6.222 -14.195 -1.456) 15.567 1.943 ( 0.245 -15.102 1.404) 15.169 2.119 ( 15.556 -12.030 -2.268) 19.795 2.782 ( -5.164 -2.817 -1.107) 5.985 2.927 ( -3.865 -3.256 0.304) 5.063 3.225 ( -12.131 -3.181 1.715) 12.658 3.438 ( -1.865 -4.252 1.060) 4.762 3.794 ( -0.748 2.748 -2.497) 3.788 4.103 ( 10.002 9.226 -1.842) 13.732 4.317 ( 0.983 1.753 9.962) 10.163 4.803 ( 0.929 5.517 -6.106) 8.282 5.315 ( -2.657 3.152 -7.581) 8.629 5.635 ( 9.032 1.592 4.435) 10.187 5.855 ( 1.883 2.455 3.470) 4.649 6.176 ( 2.221 9.238 9.524) 13.453 6.792 ( -11.778 -15.863 -2.543) 19.921 7.258 ( -5.180 -2.047 -1.273) 5.713 7.606 ( -14.433 0.439 -7.861) 16.441 10.266 ( 0.419 0.062 -0.025) 0.425 10.444 ( -4.153 -6.071 -10.329) 12.681 11.071 ( 2.820 -5.601 -8.131) 10.269 11.286 ( 5.114 5.334 2.134) 7.691 11.845 ( 9.847 18.921 5.922) 22.137 12.561 ( -3.569 -11.305 9.122) 14.958 13.011 ( -3.925 3.100 3.210) 5.943 14.100 ( 2.712 9.597 -2.285) 10.231 14.572 ( -7.632 -0.833 8.372) 11.359 15.015 ( 3.193 2.272 2.556) 4.679 15.965 ( -4.810 10.153 0.393) 11.241 16.535 ( -17.819 -15.555 5.691) 24.329 17.385 ( 18.809 8.668 0.533) 20.717 18.586 ( -2.915 -4.140 -8.838) 10.186 18.770 ( -6.045 2.812 0.462) 6.683 19.318 ( 4.854 -0.464 3.380) 5.933 ======================= Grid point 15 (10/251) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 8.563 -9.413 -2.460) 12.960 1.600 ( 6.666 -11.637 2.336) 13.613 1.742 ( 2.183 -8.784 0.745) 9.082 2.276 ( 0.847 -17.078 -0.061) 17.099 2.388 ( 11.908 -5.477 -4.146) 13.747 2.807 ( -7.128 -3.366 -1.455) 8.016 2.901 ( -3.912 -2.597 -2.628) 5.381 3.331 ( -7.560 -9.739 8.020) 14.708 3.504 ( 1.155 -2.910 -5.144) 6.022 3.764 ( -1.168 -1.548 3.101) 3.658 4.031 ( 4.327 4.143 -4.352) 7.404 4.315 ( 4.173 3.270 12.604) 13.674 4.666 ( -2.457 5.217 -8.258) 10.072 5.241 ( -4.066 -0.222 -6.352) 7.545 5.623 ( 9.377 9.409 4.124) 13.910 5.851 ( 0.763 0.043 5.091) 5.148 6.023 ( 2.662 10.704 5.741) 12.434 6.927 ( -7.670 -7.720 -0.397) 10.889 7.255 ( -6.676 -3.179 -4.088) 8.449 7.455 ( -8.504 2.014 -6.635) 10.973 10.290 ( -1.078 -2.824 0.160) 3.026 10.498 ( -5.197 -5.472 -7.186) 10.421 11.173 ( 6.232 4.553 -2.008) 7.974 11.198 ( 3.936 -1.780 -10.089) 10.975 11.614 ( 2.344 12.763 10.869) 16.927 12.786 ( -5.868 -12.651 7.401) 15.788 12.901 ( -4.295 5.387 2.645) 7.380 13.945 ( 6.078 9.555 -2.862) 11.681 14.599 ( -4.589 -5.189 9.594) 11.833 15.010 ( 1.239 0.506 -2.523) 2.856 15.710 ( -4.286 12.120 -0.197) 12.857 16.661 ( -13.407 -9.157 4.936) 16.969 17.383 ( 17.930 7.125 0.909) 19.315 18.577 ( -0.063 1.551 -9.852) 9.973 18.694 ( -9.771 -2.061 2.581) 10.315 19.380 ( 4.830 -0.646 3.216) 5.838 ======================= Grid point 16 (11/251) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 5.011 -5.032 -1.635) 7.287 1.802 ( 0.864 -5.397 -0.251) 5.471 1.879 ( 3.077 -3.233 2.984) 5.368 2.449 ( -9.332 -1.002 1.109) 9.451 2.540 ( 12.641 -2.652 -4.034) 13.531 2.886 ( 0.328 -13.994 -4.708) 14.769 3.014 ( -3.374 -8.442 2.113) 9.334 3.384 ( -4.251 -1.506 -0.624) 4.553 3.497 ( -2.555 3.730 -0.394) 4.538 3.810 ( -0.165 0.129 3.671) 3.677 4.003 ( 2.860 0.162 -4.444) 5.287 4.360 ( 4.086 0.286 11.445) 12.156 4.558 ( -3.063 -0.061 -6.301) 7.007 5.209 ( -4.174 -1.186 -6.107) 7.491 5.490 ( 6.668 10.309 3.922) 12.889 5.845 ( 1.107 6.569 5.009) 8.335 5.884 ( 0.510 2.942 1.134) 3.194 6.987 ( -2.973 -3.733 0.010) 4.772 7.238 ( -10.003 -3.756 -2.829) 11.053 7.405 ( 1.866 -1.313 -3.720) 4.364 10.347 ( -0.340 -2.942 0.045) 2.962 10.528 ( -6.449 -5.165 -4.655) 9.483 11.039 ( 1.447 7.724 0.838) 7.903 11.320 ( 11.789 -2.748 -17.467) 21.252 11.470 ( -3.510 5.323 16.707) 17.882 12.772 ( -3.158 4.025 1.412) 5.308 12.979 ( -6.269 -10.468 4.386) 12.966 13.815 ( 7.201 8.977 -1.903) 11.664 14.739 ( -2.510 -8.447 9.098) 12.666 14.988 ( 0.900 1.775 -6.614) 6.907 15.465 ( -3.571 8.712 0.172) 9.417 16.700 ( -9.784 -4.232 2.875) 11.041 17.408 ( 16.924 5.678 0.503) 17.858 18.505 ( -2.669 1.984 -1.226) 3.544 18.684 ( -8.572 -4.043 -3.438) 10.082 19.429 ( 4.604 0.495 2.408) 5.219 ======================= Grid point 17 (12/251) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 1.812 2.440 -1.099) 3.232 1.830 ( -1.974 1.664 -1.509) 2.990 1.912 ( 1.924 3.144 2.364) 4.379 2.330 ( -10.614 1.452 2.233) 10.943 2.683 ( 11.672 -1.509 -3.078) 12.165 3.028 ( -4.100 2.339 2.528) 5.355 3.182 ( 5.238 -4.196 -3.721) 7.674 3.364 ( -5.642 0.528 5.104) 7.627 3.427 ( 1.441 -6.758 -7.301) 10.053 3.780 ( -1.577 3.065 3.335) 4.796 4.002 ( 0.158 0.625 -2.089) 2.186 4.284 ( -2.416 8.940 -1.736) 9.422 4.646 ( 1.263 -6.628 4.678) 8.210 5.174 ( -3.590 -1.433 -4.181) 5.694 5.445 ( 7.294 1.589 2.722) 7.946 5.735 ( -0.360 3.552 -0.944) 3.693 5.842 ( -3.383 1.785 0.841) 3.916 7.044 ( 1.718 -3.171 -0.224) 3.613 7.249 ( -6.981 -4.813 1.006) 8.539 7.489 ( 6.453 -4.239 -0.744) 7.757 10.360 ( -1.505 0.940 -0.268) 1.794 10.604 ( -3.002 -7.798 -2.358) 8.683 10.937 ( -0.348 3.629 3.049) 4.752 11.348 ( 2.289 2.062 2.525) 3.983 11.446 ( 3.581 1.674 -2.145) 4.498 12.740 ( 0.031 -2.297 -1.133) 2.561 13.103 ( -3.148 -4.987 1.351) 6.050 13.715 ( 4.548 5.796 0.061) 7.368 14.819 ( -2.526 2.831 -2.966) 4.816 14.953 ( -0.228 -1.493 1.988) 2.497 15.394 ( 0.008 -3.933 0.023) 3.933 16.705 ( -7.970 -3.727 1.546) 8.934 17.422 ( 16.608 7.502 -1.971) 18.330 18.468 ( -7.048 -1.269 7.204) 10.158 18.684 ( -5.421 -3.779 -8.007) 10.382 19.444 ( 4.078 2.230 1.474) 4.876 ======================= Grid point 18 (13/251) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -1.222 10.747 -0.777) 10.844 1.658 ( -4.500 12.123 -1.110) 12.978 1.867 ( 1.422 3.127 2.005) 3.978 2.254 ( -5.946 2.178 1.929) 6.620 2.626 ( 3.126 15.336 -1.598) 15.732 2.974 ( -0.004 -1.269 6.006) 6.138 3.096 ( 3.547 8.189 -2.840) 9.365 3.469 ( 4.059 -3.810 -6.599) 8.633 3.503 ( -1.959 2.809 -0.384) 3.446 3.715 ( -5.699 -1.683 2.319) 6.378 3.979 ( -1.101 1.155 -0.449) 1.658 4.117 ( -0.636 1.897 -4.183) 4.637 4.747 ( 2.084 -0.543 5.388) 5.802 5.231 ( -4.725 -8.472 -1.042) 9.756 5.480 ( 7.646 3.169 1.734) 8.457 5.741 ( -1.265 -4.763 -4.018) 6.358 5.781 ( -5.005 -0.513 -0.278) 5.038 7.127 ( 5.097 -2.084 -0.564) 5.535 7.291 ( -4.316 -3.367 2.497) 6.017 7.663 ( 8.185 -7.318 1.788) 11.123 10.309 ( -2.084 2.155 -0.386) 3.023 10.721 ( 2.186 -3.943 0.190) 4.513 10.918 ( -4.033 -2.274 5.297) 7.035 11.322 ( -2.123 4.609 16.673) 17.428 11.420 ( 4.789 0.243 -17.746) 18.383 12.834 ( 1.748 -6.192 -2.275) 6.824 13.081 ( 1.510 7.458 -1.909) 7.846 13.705 ( -0.811 -3.904 1.758) 4.358 14.698 ( 0.991 4.709 -6.353) 7.970 14.974 ( -2.658 -0.064 3.502) 4.397 15.578 ( 2.507 -12.321 0.297) 12.577 16.735 ( -7.113 -5.526 0.981) 9.060 17.370 ( 14.895 10.451 -3.994) 18.629 18.467 ( -10.933 -3.527 9.228) 14.735 18.710 ( -0.590 -4.142 -7.382) 8.485 19.420 ( 3.311 3.684 0.699) 5.002 ======================= Grid point 19 (14/251) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -2.900 16.715 -0.368) 16.968 1.343 ( -3.564 16.773 -0.153) 17.148 1.808 ( 3.688 6.263 2.236) 7.605 2.049 ( -7.006 16.434 0.159) 17.866 2.282 ( 0.146 19.057 -0.700) 19.070 2.936 ( 0.492 6.984 -0.195) 7.004 3.027 ( 1.650 2.029 2.346) 3.513 3.380 ( 1.004 -1.153 -4.669) 4.913 3.586 ( 5.156 -2.221 -4.233) 7.031 3.679 ( -5.661 1.760 3.585) 6.928 3.918 ( -2.261 3.769 0.050) 4.395 4.196 ( 0.852 -7.009 -1.042) 7.137 4.753 ( -0.375 0.612 1.698) 1.844 5.380 ( -2.310 -9.240 1.368) 9.622 5.451 ( 2.723 4.511 1.312) 5.430 5.750 ( -1.537 -1.855 -1.628) 2.907 5.887 ( -1.231 -9.299 -2.894) 9.816 7.174 ( 4.836 1.936 -0.460) 5.230 7.318 ( -1.804 -1.604 1.786) 3.003 7.896 ( 7.067 -9.488 2.051) 12.007 10.252 ( -1.469 2.156 -0.155) 2.614 10.784 ( 6.812 1.494 7.293) 10.091 10.954 ( -8.513 -4.178 -0.422) 9.493 11.227 ( -0.126 6.214 4.526) 7.689 11.433 ( -0.425 -2.634 -7.932) 8.368 12.849 ( 1.529 15.424 -2.472) 15.695 12.959 ( 0.569 -5.349 -1.174) 5.506 13.853 ( -0.975 -10.997 0.947) 11.080 14.654 ( 2.629 -0.014 -4.139) 4.904 14.935 ( -2.553 2.597 1.416) 3.907 15.854 ( 2.435 -13.372 0.415) 13.598 16.805 ( -4.928 -6.671 0.585) 8.314 17.247 ( 9.487 11.504 -3.247) 15.261 18.478 ( -8.051 -4.037 4.508) 10.071 18.785 ( 1.084 -4.435 -2.506) 5.208 19.366 ( 2.106 4.264 0.178) 4.759 ======================= Grid point 20 (15/251) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -0.000 19.162 -0.000) 19.162 0.961 ( -0.000 21.510 -0.000) 21.510 1.487 ( -0.000 34.315 -0.000) 34.315 1.732 ( -0.000 5.942 -0.000) 5.942 1.951 ( -0.000 14.619 -0.000) 14.619 2.845 ( -0.000 2.468 -0.000) 2.468 3.005 ( -0.000 0.868 -0.000) 0.868 3.440 ( -0.000 1.697 -0.000) 1.697 3.586 ( 0.000 -2.543 0.000) 2.543 3.697 ( 0.000 -3.958 0.000) 3.958 3.811 ( -0.000 5.287 -0.000) 5.287 4.289 ( 0.000 -1.454 0.000) 1.454 4.761 ( 0.000 -1.811 0.000) 1.811 5.390 ( -0.000 2.149 -0.000) 2.149 5.528 ( 0.000 -6.179 0.000) 6.179 5.787 ( 0.000 -2.379 0.000) 2.379 6.056 ( 0.000 -9.124 0.000) 9.124 7.124 ( -0.000 5.135 -0.000) 5.135 7.330 ( -0.000 0.110 -0.000) 0.110 8.123 ( 0.000 -9.622 0.000) 9.622 10.205 ( -0.000 1.951 -0.000) 1.951 10.836 ( -0.000 2.349 -0.000) 2.349 10.888 ( -0.000 1.229 -0.000) 1.229 11.154 ( -0.000 2.164 -0.000) 2.164 11.447 ( 0.000 -0.716 0.000) 0.716 12.557 ( -0.000 13.835 -0.000) 13.835 13.044 ( 0.000 -3.363 0.000) 3.363 14.082 ( 0.000 -12.499 0.000) 12.499 14.697 ( 0.000 -3.162 0.000) 3.162 14.847 ( -0.000 5.311 -0.000) 5.311 16.102 ( 0.000 -10.862 0.000) 10.862 16.911 ( 0.000 -6.257 0.000) 6.257 17.073 ( -0.000 10.088 -0.000) 10.088 18.526 ( 0.000 -3.825 0.000) 3.825 18.864 ( 0.000 -3.390 0.000) 3.390 19.297 ( -0.000 3.820 -0.000) 3.820 ======================= Grid point 23 (16/251) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 14.100 0.000 3.160) 14.449 0.667 ( 19.062 0.000 -0.653) 19.073 1.386 ( 39.853 0.000 -0.245) 39.853 1.638 ( -3.003 -0.000 1.554) 3.382 1.666 ( 6.612 0.000 -0.386) 6.623 2.722 ( -5.312 -0.000 -0.402) 5.327 2.780 ( -8.638 -0.000 -5.095) 10.028 3.279 ( -17.733 -0.000 1.762) 17.821 3.344 ( 1.845 0.000 0.214) 1.857 3.858 ( -1.849 -0.000 -9.294) 9.476 4.268 ( 1.123 0.000 7.850) 7.929 4.824 ( 3.398 0.000 -4.696) 5.796 4.936 ( -8.146 -0.000 -7.444) 11.034 5.563 ( -2.210 -0.000 -11.118) 11.335 5.587 ( 10.281 0.000 13.063) 16.624 5.720 ( 11.941 0.000 4.313) 12.696 5.987 ( -1.098 -0.000 5.034) 5.152 6.413 ( 2.937 0.000 10.014) 10.436 7.216 ( -6.709 -0.000 2.987) 7.344 7.551 ( -10.011 -0.000 -7.470) 12.492 10.280 ( -0.221 -0.000 -11.129) 11.132 10.387 ( -3.323 -0.000 -3.140) 4.571 10.884 ( 4.367 0.000 -2.572) 5.069 11.381 ( 8.699 0.000 7.745) 11.647 12.205 ( -1.674 -0.000 -2.923) 3.368 12.698 ( 1.676 0.000 0.226) 1.691 13.018 ( -4.496 -0.000 2.830) 5.312 14.336 ( -3.132 -0.000 -2.833) 4.223 14.540 ( -5.683 -0.000 6.042) 8.295 15.299 ( -4.351 -0.000 19.687) 20.162 15.824 ( -13.765 -0.000 6.807) 15.356 16.205 ( -1.777 -0.000 -1.890) 2.594 17.635 ( 17.739 0.000 0.117) 17.740 18.379 ( -5.335 -0.000 -5.917) 7.967 18.842 ( -5.200 -0.000 -0.438) 5.219 19.343 ( 5.499 0.000 0.968) 5.584 ======================= Grid point 24 (17/251) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 14.946 -14.909 -5.544) 21.826 0.988 ( 9.418 -16.686 5.175) 19.847 1.518 ( 19.156 4.516 1.004) 19.707 1.711 ( -0.869 -8.550 2.825) 9.046 1.996 ( 19.651 -14.697 -1.795) 24.605 2.680 ( -7.327 -1.897 -1.899) 7.803 2.775 ( -5.647 -6.776 -2.229) 9.098 3.116 ( -15.541 2.288 0.094) 15.708 3.381 ( 2.299 -1.829 -0.694) 3.019 3.800 ( -3.260 1.095 -6.731) 7.559 4.312 ( 2.537 -0.140 6.942) 7.392 4.511 ( 1.508 19.193 2.988) 19.483 4.879 ( -0.852 2.808 -6.808) 7.414 5.379 ( 0.164 7.082 -8.885) 11.364 5.723 ( 9.986 -1.479 9.922) 14.154 5.930 ( 3.483 1.454 1.837) 4.197 6.233 ( -4.222 -19.269 4.378) 20.206 6.431 ( 2.032 0.197 5.158) 5.548 7.173 ( -8.443 -1.058 1.908) 8.721 7.461 ( -11.129 -1.369 -8.871) 14.298 10.279 ( -0.998 -2.813 -5.775) 6.501 10.313 ( -3.828 2.214 -2.644) 5.152 10.973 ( 4.725 -5.006 -4.809) 8.397 11.430 ( 6.368 4.063 5.185) 9.162 12.200 ( 2.593 2.688 -2.431) 4.457 12.520 ( 0.661 11.226 8.140) 13.882 13.011 ( -4.387 -0.355 3.175) 5.428 14.247 ( -1.141 5.091 -2.850) 5.945 14.516 ( -6.990 -0.543 6.538) 9.586 15.155 ( 0.261 9.272 8.051) 12.282 16.002 ( -14.321 -14.116 11.550) 23.190 16.150 ( -2.837 -0.495 -4.917) 5.698 17.700 ( 18.314 7.167 0.322) 19.669 18.396 ( -7.051 -6.647 -4.557) 10.708 18.773 ( -6.278 2.082 -1.025) 6.694 19.379 ( 5.593 0.725 2.102) 6.018 ======================= Grid point 25 (18/251) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 14.475 -10.112 -4.954) 18.338 1.385 ( 2.855 -16.890 3.815) 17.549 1.643 ( 10.926 -3.896 2.844) 11.944 1.956 ( 0.694 -15.880 2.111) 16.035 2.349 ( 13.831 -8.335 -5.162) 16.953 2.685 ( -4.359 -4.043 -1.212) 6.068 2.840 ( -8.040 0.200 -1.333) 8.152 3.049 ( -9.905 -11.545 2.763) 15.460 3.443 ( 3.689 -2.656 -3.959) 6.028 3.745 ( -2.849 0.226 -0.631) 2.927 4.205 ( 3.857 11.452 -4.100) 12.761 4.396 ( -0.464 -0.701 13.557) 13.583 4.755 ( -1.374 6.990 -6.356) 9.547 5.244 ( -0.255 4.423 -7.680) 8.866 5.846 ( 11.374 1.504 8.574) 14.323 5.886 ( -0.553 3.858 2.475) 4.617 6.267 ( 2.847 9.521 7.665) 12.550 6.630 ( -6.433 -15.476 -2.023) 16.881 7.127 ( -10.244 -1.948 -2.007) 10.619 7.376 ( -7.921 -0.891 -7.860) 11.195 10.245 ( -2.702 0.421 -1.177) 2.977 10.340 ( -3.270 -5.595 -4.519) 7.900 11.105 ( 6.320 -5.954 -7.035) 11.175 11.355 ( 2.342 7.882 1.943) 8.449 11.997 ( 6.126 19.092 2.527) 20.209 12.542 ( -4.790 -9.354 8.335) 13.413 12.960 ( -4.159 3.135 3.143) 6.083 14.134 ( 3.153 6.409 -3.434) 7.925 14.506 ( -5.822 -2.628 8.166) 10.367 15.048 ( -0.327 3.864 1.403) 4.124 15.906 ( -3.165 10.815 2.058) 11.455 16.328 ( -11.105 -16.043 4.094) 19.936 17.695 ( 18.563 8.566 -0.019) 20.444 18.452 ( -7.175 -6.406 -5.228) 10.948 18.658 ( -7.565 3.558 -0.746) 8.393 19.426 ( 5.367 -0.173 2.871) 6.089 ======================= Grid point 26 (19/251) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 10.702 -5.341 -2.160) 12.154 1.671 ( 1.608 -10.229 0.718) 10.380 1.822 ( 5.261 -5.928 3.980) 8.869 2.280 ( -0.422 -13.161 0.387) 13.174 2.542 ( 6.369 -6.287 -3.619) 9.654 2.680 ( -3.600 -0.822 -3.307) 4.957 2.827 ( -3.470 -8.225 -0.555) 8.944 3.230 ( -8.321 -9.708 3.435) 13.240 3.497 ( 1.280 -1.291 -5.962) 6.233 3.775 ( 0.441 -3.450 4.647) 5.804 4.059 ( 2.328 4.799 -5.609) 7.741 4.439 ( 0.685 0.795 14.171) 14.210 4.584 ( -1.477 6.408 -6.951) 9.568 5.167 ( -0.251 1.366 -6.436) 6.584 5.751 ( 1.868 9.648 2.199) 10.070 5.919 ( 5.091 2.256 6.955) 8.909 6.090 ( 1.893 11.970 4.079) 12.787 6.820 ( -4.947 -10.222 -0.643) 11.374 7.075 ( -10.250 -2.985 -4.636) 11.640 7.350 ( -1.873 -2.821 -4.781) 5.859 10.254 ( -2.711 -4.189 -1.368) 5.174 10.392 ( -3.847 -3.610 -3.183) 6.161 11.199 ( 1.421 7.597 -2.869) 8.244 11.278 ( 7.742 -5.904 -4.869) 10.886 11.699 ( 1.889 15.554 6.406) 16.927 12.727 ( -5.649 -11.337 5.720) 13.898 12.846 ( -3.753 5.598 1.892) 7.000 14.033 ( 6.127 7.478 -2.699) 10.037 14.588 ( -3.018 -7.077 8.481) 11.450 14.994 ( -1.058 1.248 -2.869) 3.303 15.650 ( -3.003 12.812 0.319) 13.163 16.508 ( -8.331 -9.496 4.072) 13.273 17.692 ( 19.015 7.521 0.046) 20.448 18.494 ( -6.273 -5.553 -6.579) 10.652 18.522 ( -9.460 3.232 1.374) 10.091 19.481 ( 4.664 -0.162 2.505) 5.296 ======================= Grid point 27 (20/251) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 5.792 -1.140 -1.198) 6.023 1.805 ( 0.121 -3.191 -0.563) 3.242 1.957 ( 4.664 -2.514 3.403) 6.297 2.277 ( -11.497 2.549 -0.396) 11.783 2.720 ( 10.909 -3.321 -2.602) 11.697 2.882 ( 1.834 -18.929 -3.372) 19.315 2.967 ( -3.805 -7.716 2.007) 8.834 3.301 ( -4.926 -4.486 -0.187) 6.665 3.455 ( -1.329 4.869 -1.936) 5.406 3.820 ( -0.876 0.377 2.941) 3.092 4.018 ( 1.792 1.463 -3.946) 4.574 4.432 ( -0.698 5.551 4.462) 7.156 4.520 ( 0.015 -4.232 1.343) 4.440 5.141 ( -0.272 0.050 -5.307) 5.314 5.591 ( 3.246 8.034 2.284) 8.961 5.879 ( -0.041 6.643 3.798) 7.652 5.891 ( 0.223 8.490 0.472) 8.506 6.956 ( -0.647 -6.913 -0.177) 6.946 7.077 ( -7.227 -5.909 -1.742) 9.497 7.422 ( 1.738 -5.486 -2.329) 6.208 10.338 ( -0.573 -4.065 -0.151) 4.108 10.411 ( -4.603 -5.063 -2.828) 7.403 11.049 ( -0.022 7.114 0.306) 7.121 11.429 ( 11.429 -1.126 -14.697) 18.652 11.503 ( -3.810 5.646 14.961) 16.438 12.733 ( -1.951 2.793 0.299) 3.420 12.907 ( -4.747 -10.547 3.052) 11.961 13.923 ( 6.235 8.942 -0.958) 10.943 14.738 ( -2.813 -7.088 6.096) 9.762 14.959 ( 0.039 0.749 -4.998) 5.054 15.417 ( -2.248 7.618 0.275) 7.947 16.584 ( -5.753 -4.120 2.119) 7.387 17.711 ( 18.912 7.276 -0.388) 20.267 18.399 ( -13.499 0.362 4.738) 14.311 18.534 ( -2.799 -4.698 -7.310) 9.129 19.514 ( 3.542 0.975 1.615) 4.013 ======================= Grid point 28 (21/251) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 1.120 5.177 -0.740) 5.349 1.798 ( -0.971 4.012 -0.642) 4.178 1.959 ( 1.990 5.710 1.457) 6.220 2.199 ( -5.456 -3.020 0.589) 6.264 2.841 ( 9.496 0.560 -2.637) 9.871 2.956 ( -6.426 1.837 2.248) 7.051 3.250 ( 4.121 0.626 -2.093) 4.664 3.310 ( -2.868 -10.030 2.541) 10.737 3.393 ( -1.056 -5.759 -3.633) 6.890 3.773 ( -1.122 5.539 2.421) 6.148 3.988 ( -0.260 1.044 -1.493) 1.840 4.250 ( -0.723 11.480 -0.817) 11.532 4.680 ( 0.154 -8.913 2.629) 9.294 5.123 ( -0.782 -0.391 -1.805) 2.006 5.558 ( 4.414 -0.248 0.821) 4.497 5.731 ( 1.161 5.593 -1.024) 5.803 5.778 ( -4.583 4.201 1.021) 6.300 7.084 ( 3.315 -5.411 -0.476) 6.364 7.154 ( -5.180 -6.765 0.765) 8.555 7.564 ( 2.619 -7.577 -0.259) 8.021 10.332 ( -1.170 1.656 -0.236) 2.041 10.556 ( -1.272 -10.536 -0.980) 10.658 10.945 ( -0.216 3.796 1.307) 4.021 11.392 ( 0.963 2.619 2.012) 3.440 11.490 ( 2.303 3.439 -1.611) 4.442 12.736 ( 0.195 -3.732 -0.742) 3.810 13.062 ( -1.940 -7.239 0.828) 7.540 13.785 ( 2.838 8.788 0.140) 9.236 14.764 ( -1.805 2.682 -1.487) 3.558 14.958 ( -0.106 -0.842 0.812) 1.175 15.395 ( 0.010 -6.429 0.032) 6.429 16.613 ( -3.396 -3.086 0.706) 4.643 17.678 ( 12.680 10.205 -1.490) 16.344 18.335 ( -10.520 -3.019 4.697) 11.910 18.595 ( -0.603 -5.037 -4.469) 6.761 19.506 ( 1.992 2.548 0.708) 3.310 ======================= Grid point 29 (22/251) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -0.000 12.109 -0.000) 12.109 1.616 ( -0.000 13.020 -0.000) 13.020 1.889 ( -0.000 2.671 -0.000) 2.671 2.208 ( -0.000 2.378 -0.000) 2.378 2.648 ( -0.000 17.918 -0.000) 17.918 2.990 ( 0.000 -2.830 0.000) 2.830 3.122 ( -0.000 6.055 -0.000) 6.055 3.477 ( -0.000 8.399 -0.000) 8.399 3.494 ( 0.000 -6.168 0.000) 6.168 3.662 ( 0.000 -2.781 0.000) 2.781 3.964 ( -0.000 1.552 -0.000) 1.552 4.109 ( -0.000 0.695 -0.000) 0.695 4.780 ( 0.000 -0.104 0.000) 0.104 5.189 ( 0.000 -8.066 0.000) 8.066 5.570 ( -0.000 4.449 -0.000) 4.449 5.708 ( 0.000 -0.671 0.000) 0.671 5.727 ( 0.000 -5.186 0.000) 5.186 7.186 ( 0.000 -2.663 0.000) 2.663 7.244 ( 0.000 -4.937 0.000) 4.937 7.739 ( 0.000 -9.291 0.000) 9.291 10.288 ( -0.000 2.203 -0.000) 2.203 10.735 ( 0.000 -8.093 0.000) 8.093 10.904 ( -0.000 0.837 -0.000) 0.837 11.377 ( -0.000 7.853 -0.000) 7.853 11.388 ( 0.000 -0.995 0.000) 0.995 12.842 ( 0.000 -6.419 0.000) 6.419 13.085 ( -0.000 6.274 -0.000) 6.274 13.707 ( 0.000 -1.977 0.000) 1.977 14.687 ( -0.000 3.138 -0.000) 3.138 14.961 ( -0.000 0.733 -0.000) 0.733 15.601 ( 0.000 -13.312 0.000) 13.312 16.672 ( 0.000 -4.891 0.000) 4.891 17.512 ( -0.000 11.926 -0.000) 11.926 18.370 ( 0.000 -4.098 0.000) 4.098 18.688 ( 0.000 -5.367 0.000) 5.367 19.454 ( -0.000 3.790 -0.000) 3.790 ======================= Grid point 34 (23/251) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 8.906 0.000 4.330) 9.903 0.948 ( 16.628 0.000 -3.378) 16.968 1.581 ( -4.630 -0.000 3.508) 5.809 1.814 ( 12.103 0.000 -0.980) 12.142 1.987 ( 30.753 0.000 2.461) 30.851 2.604 ( -8.202 -0.000 -1.368) 8.315 2.622 ( -6.153 -0.000 -5.686) 8.377 3.020 ( -15.060 -0.000 1.283) 15.114 3.398 ( 6.576 0.000 -2.628) 7.082 3.757 ( -3.905 -0.000 -7.397) 8.364 4.335 ( -0.095 -0.000 10.777) 10.778 4.701 ( -15.194 -0.000 -6.594) 16.563 4.863 ( 3.771 0.000 -3.176) 4.930 5.478 ( -1.062 -0.000 -9.284) 9.345 5.810 ( 9.451 0.000 7.833) 12.275 5.968 ( 13.542 0.000 8.988) 16.253 5.991 ( -0.466 -0.000 0.870) 0.986 6.516 ( 3.141 0.000 8.139) 8.724 7.089 ( -11.464 -0.000 1.935) 11.626 7.341 ( -8.825 -0.000 -8.886) 12.524 10.198 ( -4.158 -0.000 -4.292) 5.976 10.328 ( -2.175 -0.000 -1.891) 2.882 10.958 ( 6.445 0.000 -3.160) 7.178 11.553 ( 7.020 0.000 6.470) 9.547 12.171 ( -1.987 -0.000 0.947) 2.201 12.713 ( 0.112 0.000 0.244) 0.268 12.975 ( -2.727 -0.000 3.491) 4.430 14.253 ( -4.735 -0.000 -2.610) 5.406 14.484 ( -4.928 -0.000 5.178) 7.149 15.338 ( -1.073 -0.000 9.389) 9.450 15.654 ( -10.885 -0.000 5.666) 12.271 16.178 ( -0.619 -0.000 -1.621) 1.735 17.919 ( 16.448 0.000 0.887) 16.472 18.263 ( -5.665 -0.000 -2.258) 6.099 18.735 ( -7.419 -0.000 -0.808) 7.463 19.431 ( 4.314 0.000 1.245) 4.490 ======================= Grid point 35 (24/251) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 6.524 -16.744 -0.249) 17.972 1.166 ( 10.987 -9.488 -1.215) 14.567 1.637 ( -2.982 -7.817 4.428) 9.466 1.865 ( 16.153 2.673 1.476) 16.439 2.290 ( 13.111 -6.783 -1.708) 14.860 2.573 ( -3.138 -4.203 -1.181) 5.376 2.679 ( -3.784 -9.589 -2.438) 10.593 2.875 ( -13.937 2.331 0.474) 14.138 3.460 ( 9.321 -0.012 -3.836) 10.080 3.713 ( -2.518 -0.542 -3.665) 4.480 4.372 ( -8.100 -1.383 11.675) 14.276 4.431 ( -3.778 10.693 -5.760) 12.719 4.850 ( 1.551 3.926 -3.023) 5.192 5.347 ( 1.040 7.294 -6.629) 9.911 5.920 ( 4.683 0.351 6.289) 7.849 5.986 ( 4.440 0.248 2.781) 5.245 6.264 ( 5.316 -13.849 4.385) 15.469 6.503 ( 2.261 5.489 5.361) 7.999 6.996 ( -13.498 -1.154 -1.864) 13.674 7.271 ( -6.143 -1.384 -6.716) 9.206 10.190 ( -4.654 -3.299 -2.992) 6.441 10.277 ( -1.040 2.119 -0.853) 2.510 11.042 ( 6.119 -3.916 -3.717) 8.160 11.538 ( 3.756 7.434 3.470) 9.023 12.219 ( 0.011 -3.282 1.670) 3.682 12.551 ( -0.307 12.634 3.066) 13.005 12.972 ( -2.492 0.304 3.163) 4.039 14.200 ( -2.380 1.233 -2.766) 3.852 14.458 ( -4.071 -0.188 5.165) 6.579 15.176 ( -1.279 9.680 3.709) 10.445 15.874 ( -8.250 -18.790 8.538) 22.227 16.103 ( -0.571 5.856 -3.703) 6.952 17.979 ( 15.316 6.189 0.270) 16.522 18.276 ( -5.020 -5.019 -1.506) 7.256 18.648 ( -8.345 2.123 -1.203) 8.694 19.467 ( 3.692 -0.187 1.566) 4.015 ======================= Grid point 36 (25/251) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 8.665 -12.672 -3.774) 15.808 1.426 ( 1.522 -12.959 1.996) 13.200 1.801 ( 3.821 -5.690 4.471) 8.183 2.032 ( 8.954 -10.057 1.615) 13.562 2.448 ( 0.189 -4.556 -3.622) 5.823 2.657 ( -9.856 -2.467 0.054) 10.160 2.686 ( 4.160 -1.444 -2.283) 4.960 2.929 ( -7.203 -14.088 1.290) 15.875 3.493 ( 4.222 1.106 -5.805) 7.263 3.749 ( 4.110 -2.316 2.971) 5.575 4.154 ( -7.179 6.502 -3.917) 10.448 4.442 ( -0.751 -1.930 7.309) 7.597 4.728 ( 0.825 8.696 -1.714) 8.901 5.222 ( 1.481 4.973 -4.670) 6.982 5.866 ( -2.496 4.583 1.329) 5.385 6.072 ( 9.875 2.026 7.044) 12.298 6.346 ( 2.108 11.101 4.114) 12.025 6.560 ( -1.457 -12.045 -0.000) 12.133 6.920 ( -11.251 -3.087 -4.769) 12.604 7.259 ( -2.942 -2.927 -3.906) 5.699 10.181 ( -3.099 -0.616 -1.830) 3.651 10.289 ( -1.510 -3.912 -0.855) 4.279 11.177 ( 5.806 -6.366 -4.519) 9.729 11.389 ( 0.536 9.761 1.831) 9.946 12.077 ( 2.688 18.577 0.997) 18.797 12.507 ( -3.675 -8.142 4.818) 10.150 12.922 ( -2.255 3.877 2.061) 4.936 14.154 ( 1.397 2.557 -2.707) 3.978 14.481 ( -2.149 -3.739 5.560) 7.036 15.033 ( -1.470 4.889 0.191) 5.109 15.882 ( -1.498 12.141 2.124) 12.416 16.214 ( -5.123 -16.309 1.648) 17.173 17.974 ( 15.439 6.723 -0.522) 16.847 18.323 ( -6.053 -4.311 -1.331) 7.550 18.521 ( -8.151 3.124 -1.236) 8.816 19.508 ( 2.941 -0.743 1.569) 3.415 ======================= Grid point 37 (26/251) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 4.883 -3.987 -0.884) 6.366 1.686 ( 0.418 -10.299 -0.090) 10.308 1.934 ( 4.829 -4.194 3.203) 7.153 2.256 ( -2.399 1.766 -0.645) 3.048 2.479 ( -4.669 -16.633 -0.804) 17.294 2.739 ( 5.409 -6.827 -4.138) 9.643 2.796 ( -0.131 -5.428 1.969) 5.776 3.122 ( -5.259 -10.599 0.927) 11.868 3.480 ( 0.080 0.369 -2.586) 2.614 3.817 ( 1.191 -0.396 2.434) 2.739 4.049 ( 0.202 1.092 -3.237) 3.422 4.477 ( -1.645 -0.559 4.548) 4.869 4.560 ( 0.528 7.279 -0.751) 7.337 5.156 ( 1.322 2.298 -2.857) 3.898 5.744 ( -1.535 6.392 0.806) 6.623 6.050 ( 5.059 8.363 3.764) 10.474 6.119 ( -0.458 12.924 1.081) 12.977 6.763 ( -1.633 -11.027 -0.302) 11.151 6.924 ( -4.644 -5.000 -2.365) 7.222 7.315 ( -0.456 -5.141 -1.747) 5.449 10.206 ( -1.561 -4.974 -0.976) 5.304 10.342 ( -1.220 -2.400 -0.642) 2.768 11.205 ( 0.594 9.041 -1.010) 9.116 11.355 ( 3.302 -7.993 -1.600) 8.795 11.744 ( 0.638 16.357 2.101) 16.503 12.680 ( -2.459 -10.521 2.175) 11.021 12.810 ( -1.418 5.868 0.667) 6.074 14.097 ( 2.640 5.101 -1.231) 5.874 14.593 ( -0.905 -7.264 3.837) 8.265 14.960 ( -0.982 1.640 -1.581) 2.480 15.618 ( -1.103 13.536 0.222) 13.583 16.435 ( -2.724 -9.273 1.519) 9.783 17.983 ( 15.960 5.925 -0.223) 17.026 18.286 ( -13.532 -0.052 0.018) 13.532 18.450 ( -1.554 -1.420 -1.683) 2.695 19.544 ( 1.715 -0.394 0.890) 1.973 ======================= Grid point 38 (27/251) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -0.000 0.735 -0.000) 0.735 1.804 ( 0.000 -2.471 0.000) 2.471 2.068 ( 0.000 -6.188 0.000) 6.188 2.112 ( -0.000 6.999 -0.000) 6.999 2.818 ( 0.000 -6.748 0.000) 6.748 2.905 ( 0.000 -18.729 0.000) 18.729 2.917 ( 0.000 -5.304 0.000) 5.304 3.253 ( 0.000 -5.598 0.000) 5.598 3.438 ( -0.000 4.815 -0.000) 4.815 3.819 ( -0.000 0.431 -0.000) 0.431 4.021 ( -0.000 2.330 -0.000) 2.330 4.434 ( -0.000 6.028 -0.000) 6.028 4.528 ( 0.000 -4.548 0.000) 4.548 5.128 ( -0.000 0.922 -0.000) 0.922 5.622 ( -0.000 5.264 -0.000) 5.264 5.891 ( -0.000 9.874 -0.000) 9.874 5.894 ( -0.000 9.283 -0.000) 9.283 6.959 ( 0.000 -9.794 0.000) 9.794 7.004 ( 0.000 -5.323 0.000) 5.323 7.430 ( 0.000 -7.007 0.000) 7.007 10.332 ( 0.000 -5.524 0.000) 5.524 10.364 ( 0.000 -3.817 0.000) 3.817 11.049 ( -0.000 6.995 -0.000) 6.995 11.495 ( 0.000 -4.089 0.000) 4.089 11.505 ( -0.000 8.973 -0.000) 8.973 12.718 ( -0.000 2.265 -0.000) 2.265 12.874 ( 0.000 -10.476 0.000) 10.476 13.977 ( -0.000 8.597 -0.000) 8.597 14.728 ( 0.000 -5.429 0.000) 5.429 14.945 ( 0.000 -0.490 0.000) 0.490 15.399 ( -0.000 7.233 -0.000) 7.233 16.543 ( 0.000 -3.746 0.000) 3.746 17.926 ( -0.000 9.040 -0.000) 9.040 18.231 ( 0.000 -2.539 0.000) 2.539 18.499 ( 0.000 -3.958 0.000) 3.958 19.548 ( -0.000 0.913 -0.000) 0.913 ======================= Grid point 45 (28/251) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 3.370 0.000 2.960) 4.485 1.160 ( 11.778 0.000 -4.460) 12.594 1.521 ( -5.172 -0.000 4.307) 6.730 2.038 ( 15.321 0.000 -0.953) 15.351 2.329 ( 6.799 0.000 1.378) 6.938 2.458 ( -8.573 -0.000 -1.421) 8.690 2.577 ( 5.488 0.000 -2.054) 5.860 2.805 ( -11.741 -0.000 1.128) 11.795 3.566 ( 17.214 0.000 -3.513) 17.569 3.668 ( -2.635 -0.000 -4.079) 4.856 4.275 ( -19.808 -0.000 6.287) 20.782 4.482 ( -2.008 -0.000 -2.303) 3.056 4.901 ( 2.341 0.000 -1.620) 2.847 5.423 ( -0.491 -0.000 -5.566) 5.588 5.970 ( 5.905 0.000 3.451) 6.839 5.984 ( -0.501 -0.000 0.012) 0.501 6.251 ( 14.338 0.000 10.442) 17.737 6.596 ( 2.079 0.000 4.389) 4.857 6.855 ( -15.569 -0.000 -4.520) 16.212 7.199 ( -3.981 -0.000 -4.202) 5.788 10.114 ( -3.550 -0.000 -1.601) 3.894 10.294 ( -1.060 -0.000 -0.828) 1.345 11.042 ( 5.168 0.000 -2.120) 5.585 11.669 ( 3.640 0.000 3.559) 5.091 12.147 ( -2.009 -0.000 2.159) 2.949 12.711 ( -0.137 -0.000 -0.385) 0.408 12.967 ( -0.625 -0.000 2.640) 2.713 14.169 ( -3.653 -0.000 -1.541) 3.965 14.443 ( -2.762 -0.000 2.887) 3.995 15.367 ( -0.138 -0.000 4.027) 4.030 15.543 ( -5.690 -0.000 3.011) 6.438 16.164 ( -0.246 -0.000 -0.895) 0.928 18.172 ( 13.725 0.000 1.299) 13.786 18.179 ( -3.448 -0.000 -0.768) 3.532 18.594 ( -9.167 -0.000 -1.147) 9.238 19.491 ( 2.288 0.000 0.847) 2.440 ======================= Grid point 46 (29/251) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 1.224 -16.250 0.629) 16.308 1.303 ( 5.960 -6.895 -2.228) 9.382 1.602 ( -2.780 -10.571 2.765) 11.275 2.125 ( 12.657 3.045 0.695) 13.037 2.354 ( -0.403 -3.427 -0.769) 3.536 2.506 ( -6.222 -8.372 -0.518) 10.444 2.679 ( 1.858 -1.798 -1.735) 3.114 2.701 ( -5.213 -1.697 1.357) 5.648 3.573 ( 3.084 4.539 -3.243) 6.374 3.774 ( 14.625 -2.964 -0.137) 14.923 4.098 ( -20.899 0.580 0.509) 20.914 4.458 ( 1.286 1.420 1.548) 2.463 4.868 ( 1.121 4.729 -0.592) 4.896 5.334 ( 0.425 6.185 -2.473) 6.675 5.938 ( -0.695 3.880 0.466) 3.969 6.097 ( 3.564 -6.360 1.903) 7.535 6.435 ( 10.162 -3.764 7.196) 13.008 6.551 ( 0.866 6.908 1.976) 7.237 6.743 ( -12.988 -3.273 -6.100) 14.718 7.184 ( -1.868 -1.765 -1.930) 3.214 10.122 ( -2.031 -2.883 -0.894) 3.638 10.261 ( -0.423 1.597 -0.266) 1.673 11.107 ( 2.923 -3.616 -1.442) 4.868 11.591 ( 1.120 9.374 1.270) 9.526 12.222 ( -0.542 -5.624 1.327) 5.803 12.556 ( -0.184 13.259 0.542) 13.271 12.962 ( -0.557 1.156 1.406) 1.903 14.155 ( -1.326 -0.897 -1.029) 1.903 14.438 ( -1.134 -0.892 1.872) 2.363 15.170 ( -0.761 10.310 1.037) 10.390 15.822 ( -2.523 -19.933 3.089) 20.328 16.084 ( -0.120 7.669 -1.346) 7.787 18.146 ( 2.733 1.504 -0.889) 3.244 18.269 ( 6.156 0.484 1.357) 6.322 18.497 ( -8.437 1.780 -1.175) 8.703 19.513 ( 1.260 -0.653 0.587) 1.536 ======================= Grid point 47 (30/251) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 -17.819 0.000) 17.819 1.463 ( 0.000 -7.287 0.000) 7.287 1.833 ( 0.000 -10.969 0.000) 10.969 2.178 ( 0.000 -6.023 0.000) 6.023 2.378 ( -0.000 5.215 -0.000) 5.215 2.559 ( 0.000 -7.703 0.000) 7.703 2.766 ( 0.000 -2.646 0.000) 2.646 2.840 ( 0.000 -14.718 0.000) 14.718 3.505 ( -0.000 2.778 -0.000) 2.778 3.854 ( -0.000 2.156 -0.000) 2.156 4.022 ( 0.000 -2.417 0.000) 2.417 4.457 ( 0.000 -0.592 0.000) 0.592 4.735 ( -0.000 9.169 -0.000) 9.169 5.224 ( -0.000 4.687 -0.000) 4.687 5.845 ( -0.000 5.154 -0.000) 5.154 6.190 ( -0.000 1.200 -0.000) 1.200 6.368 ( -0.000 12.258 -0.000) 12.258 6.567 ( 0.000 -7.348 0.000) 7.348 6.786 ( 0.000 -6.550 0.000) 6.550 7.225 ( 0.000 -3.548 0.000) 3.548 10.148 ( 0.000 -1.004 0.000) 1.004 10.275 ( 0.000 -3.269 0.000) 3.269 11.217 ( 0.000 -6.768 0.000) 6.768 11.397 ( -0.000 10.613 -0.000) 10.613 12.101 ( -0.000 18.375 -0.000) 18.375 12.489 ( 0.000 -7.748 0.000) 7.748 12.910 ( -0.000 4.373 -0.000) 4.373 14.156 ( -0.000 0.785 -0.000) 0.785 14.483 ( 0.000 -4.177 0.000) 4.177 15.019 ( -0.000 5.417 -0.000) 5.417 15.876 ( -0.000 12.969 -0.000) 12.969 16.177 ( 0.000 -16.647 0.000) 16.647 18.143 ( -0.000 1.797 -0.000) 1.797 18.246 ( -0.000 3.160 -0.000) 3.160 18.430 ( -0.000 0.599 -0.000) 0.599 19.537 ( 0.000 -0.993 0.000) 0.993 ======================= Grid point 58 (31/251) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.000 0.000 0.000) 0.000 1.254 ( 0.000 0.000 -0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 2.234 ( -0.000 -0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 -0.000) 0.000 3.910 ( -0.000 -0.000 0.000) 0.000 4.483 ( 0.000 0.000 -0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 5.403 ( 0.000 0.000 0.000) 0.000 5.980 ( 0.000 0.000 0.000) 0.000 6.029 ( 0.000 0.000 0.000) 0.000 6.512 ( 0.000 0.000 0.000) 0.000 6.596 ( -0.000 -0.000 -0.000) 0.000 6.626 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 10.079 ( 0.000 0.000 0.000) 0.000 10.283 ( 0.000 0.000 0.000) 0.000 11.082 ( 0.000 0.000 0.000) 0.000 11.709 ( 0.000 0.000 0.000) 0.000 12.135 ( 0.000 0.000 0.000) 0.000 12.709 ( 0.000 0.000 0.000) 0.000 12.972 ( 0.000 0.000 0.000) 0.000 14.133 ( 0.000 0.000 0.000) 0.000 14.429 ( 0.000 0.000 0.000) 0.000 15.377 ( 0.000 0.000 0.000) 0.000 15.505 ( 0.000 0.000 0.000) 0.000 16.159 ( 0.000 0.000 0.000) 0.000 18.148 ( 0.000 0.000 0.000) 0.000 18.339 ( -0.000 -0.000 0.000) 0.000 18.464 ( 0.000 0.000 0.000) 0.000 19.512 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/251) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 3.519 0.000 18.164) 18.501 0.508 ( -8.522 -0.000 23.535) 25.030 0.784 ( -20.200 -0.000 36.442) 41.666 1.589 ( -0.125 -0.000 1.592) 1.597 1.842 ( -5.193 -0.000 10.535) 11.746 2.831 ( -0.836 -0.000 3.060) 3.172 3.336 ( -3.010 -0.000 3.150) 4.357 3.592 ( 10.702 0.000 -11.640) 15.812 3.680 ( -25.553 -0.000 1.324) 25.588 3.873 ( -13.264 -0.000 1.009) 13.302 3.930 ( 16.705 0.000 -12.178) 20.673 4.502 ( 11.132 0.000 16.832) 20.180 4.724 ( -2.196 -0.000 -7.304) 7.627 5.369 ( 6.053 0.000 1.666) 6.279 5.467 ( 5.892 0.000 5.933) 8.361 5.528 ( -2.472 -0.000 -9.596) 9.910 6.047 ( 6.692 0.000 -0.773) 6.736 6.466 ( 3.412 0.000 12.108) 12.579 7.318 ( 1.563 0.000 0.576) 1.666 7.726 ( -3.031 -0.000 -4.937) 5.793 10.472 ( -3.553 -0.000 -2.894) 4.582 10.494 ( -25.879 -0.000 4.672) 26.298 10.815 ( 2.094 0.000 -1.815) 2.771 11.181 ( 6.723 0.000 4.652) 8.175 12.310 ( 1.176 0.000 2.026) 2.342 13.018 ( 4.294 0.000 -7.375) 8.534 13.133 ( -32.583 -0.000 2.931) 32.715 14.405 ( -2.520 -0.000 0.450) 2.560 14.677 ( -1.377 -0.000 5.739) 5.902 15.945 ( 6.408 0.000 -7.589) 9.932 16.426 ( -0.453 -0.000 7.149) 7.164 16.837 ( 66.397 0.000 1.327) 66.410 16.999 ( -37.264 -0.000 0.446) 37.266 17.221 ( -1.202 -0.000 -0.944) 1.528 18.946 ( -0.757 -0.000 1.434) 1.621 19.214 ( 2.185 0.000 0.100) 2.187 ======================= Grid point 106 (33/251) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 0.528 -9.590 12.732) 15.948 0.664 ( 10.815 -12.624 12.204) 20.622 1.119 ( -6.291 -23.587 20.535) 31.900 1.670 ( 3.548 -6.939 2.541) 8.197 1.879 ( -3.106 -5.380 11.071) 12.695 2.848 ( -1.766 -1.790 3.594) 4.386 3.281 ( -22.256 5.986 7.561) 24.255 3.366 ( -3.390 1.249 0.669) 3.674 3.613 ( 1.806 -0.755 -8.476) 8.699 3.759 ( -4.306 0.419 2.214) 4.860 3.924 ( 16.473 9.640 -0.050) 19.086 4.445 ( 6.137 6.653 15.573) 18.012 4.748 ( 0.221 -1.031 -5.904) 5.997 5.333 ( -1.587 3.861 -8.336) 9.322 5.477 ( 6.226 -0.234 0.798) 6.281 5.810 ( 3.943 -4.139 -0.642) 5.752 6.435 ( 4.360 0.285 1.280) 4.553 6.503 ( -2.893 -25.266 -6.645) 26.285 7.342 ( -1.222 -1.126 1.460) 2.212 7.712 ( -6.242 -3.232 -13.871) 15.551 10.288 ( -8.161 3.105 7.706) 11.645 10.442 ( -9.964 -1.509 -0.962) 10.123 10.899 ( -1.368 -6.077 -4.088) 7.451 11.228 ( 8.978 3.182 5.785) 11.144 12.315 ( -10.177 2.499 11.199) 15.338 12.627 ( -1.560 17.656 20.274) 26.929 13.037 ( 3.292 0.904 -5.419) 6.405 14.293 ( -2.080 8.104 0.820) 8.407 14.752 ( -2.581 -5.133 4.102) 7.059 15.307 ( 5.226 30.677 19.240) 36.587 16.287 ( -8.604 6.888 3.441) 11.546 16.800 ( -21.121 -12.433 2.720) 24.659 17.114 ( 15.761 5.218 -0.705) 16.617 17.998 ( 22.278 -21.568 -27.953) 41.748 18.935 ( -2.910 0.216 1.701) 3.378 19.249 ( 1.490 -1.878 1.000) 2.598 ======================= Grid point 107 (34/251) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 3.104 -17.673 1.019) 17.972 1.079 ( 13.288 -16.738 4.394) 21.819 1.504 ( -2.876 -16.047 5.566) 17.227 1.892 ( 6.346 -9.537 3.253) 11.908 2.062 ( -0.275 -11.504 6.815) 13.374 2.891 ( -4.234 -3.832 5.050) 7.623 3.042 ( -5.265 6.666 0.129) 8.495 3.408 ( -8.684 -8.054 4.558) 12.690 3.653 ( -4.444 -5.555 0.913) 7.172 3.714 ( -2.909 2.358 1.506) 4.036 3.904 ( 9.484 3.276 -1.329) 10.122 4.394 ( 6.550 7.405 6.198) 11.669 4.737 ( -1.328 1.854 -0.336) 2.305 5.236 ( -4.180 -0.025 -9.491) 10.370 5.537 ( 10.472 2.490 4.189) 11.550 5.857 ( 3.270 0.955 2.462) 4.203 6.314 ( 1.813 10.809 10.152) 14.940 6.886 ( -6.767 -17.336 -7.639) 20.117 7.329 ( -3.898 0.892 2.122) 4.527 7.627 ( -10.138 0.273 -17.622) 20.332 10.272 ( 0.865 -1.580 3.872) 4.271 10.408 ( -8.158 -3.511 -2.120) 9.131 10.953 ( -2.735 -2.934 -5.800) 7.052 11.221 ( 7.357 6.265 3.163) 10.167 12.099 ( -6.868 11.784 25.478) 28.899 12.682 ( 3.010 -9.704 4.928) 11.292 13.012 ( 2.341 2.704 -4.650) 5.866 14.094 ( -1.759 11.131 1.931) 11.433 14.808 ( -5.602 -2.878 5.653) 8.463 15.029 ( 5.270 10.668 9.294) 15.098 16.061 ( -7.054 10.501 1.199) 12.707 16.865 ( -7.346 -4.508 1.327) 8.720 17.150 ( 5.618 -0.363 1.275) 5.772 18.258 ( 13.090 -2.764 -19.230) 23.426 18.906 ( -5.053 -0.126 3.123) 5.941 19.308 ( 1.284 -2.431 1.736) 3.251 ======================= Grid point 108 (35/251) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 1.910 -15.110 -0.486) 15.238 1.500 ( 10.773 -15.007 2.483) 18.640 1.730 ( 0.442 -8.420 0.772) 8.467 2.121 ( 5.926 -7.614 -2.461) 9.957 2.289 ( 1.816 -11.196 -1.044) 11.391 2.878 ( -4.616 2.236 -3.392) 6.149 3.013 ( -5.217 -6.925 8.049) 11.830 3.526 ( -4.985 -3.604 3.488) 7.072 3.622 ( -6.919 -1.170 6.478) 9.550 3.769 ( 2.174 -5.676 -0.277) 6.084 3.920 ( 0.187 0.007 -0.701) 0.725 4.330 ( 9.886 6.685 3.067) 12.322 4.642 ( -3.267 4.680 0.189) 5.711 5.228 ( -5.185 -4.510 -5.835) 9.015 5.551 ( 9.155 6.538 6.520) 13.002 5.867 ( 3.479 1.220 2.901) 4.691 6.133 ( 0.709 11.857 9.769) 15.380 7.050 ( -6.453 -7.224 -1.801) 9.852 7.272 ( -3.528 1.156 -0.863) 3.811 7.477 ( -10.691 0.663 -13.249) 17.038 10.333 ( 0.883 -1.942 3.953) 4.492 10.449 ( -4.707 -7.571 -5.538) 10.495 10.952 ( 0.727 0.027 -5.631) 5.678 11.134 ( 3.547 7.339 0.213) 8.154 11.938 ( -6.528 6.721 22.327) 24.213 12.918 ( -0.602 -8.149 0.700) 8.201 12.947 ( 0.549 1.316 -1.333) 1.952 13.872 ( 0.022 11.086 1.489) 11.186 14.838 ( -4.140 -3.180 10.405) 11.641 14.952 ( 2.819 3.748 0.208) 4.694 15.791 ( -5.494 12.291 0.665) 13.479 16.851 ( 0.906 2.680 -0.691) 2.912 17.218 ( -1.890 -3.873 1.335) 4.512 18.313 ( 10.448 0.727 -13.348) 16.966 18.879 ( -6.315 -0.814 4.242) 7.651 19.366 ( 1.578 -1.764 1.953) 3.068 ======================= Grid point 109 (36/251) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -0.183 -9.647 -0.713) 9.675 1.789 ( 3.104 -6.983 1.066) 7.715 1.867 ( 3.800 -4.181 3.124) 6.456 2.247 ( 10.165 -2.855 -7.169) 12.762 2.530 ( -1.755 -10.942 -4.736) 12.051 2.801 ( -1.539 -0.570 -4.425) 4.719 3.170 ( -5.467 -11.186 7.189) 14.378 3.384 ( -6.442 8.002 -4.934) 11.396 3.696 ( -4.285 -1.734 9.663) 10.711 3.864 ( 1.850 5.442 4.070) 7.043 3.903 ( 0.031 -6.186 -2.065) 6.522 4.326 ( 8.247 3.672 0.425) 9.037 4.593 ( -2.237 -3.215 2.805) 4.818 5.238 ( -5.607 -1.476 -2.901) 6.484 5.489 ( 3.300 5.925 7.883) 10.399 5.881 ( 3.485 1.455 2.049) 4.297 5.942 ( -0.567 10.384 7.996) 13.119 7.056 ( -4.304 -0.096 -1.083) 4.440 7.265 ( 1.161 -1.880 -2.659) 3.458 7.388 ( -8.868 -2.570 -4.767) 10.391 10.381 ( -0.381 -1.848 3.359) 3.852 10.557 ( -4.872 -8.086 -3.995) 10.251 10.948 ( 8.761 3.195 -2.214) 9.585 11.038 ( -0.794 1.739 -4.494) 4.883 11.851 ( -7.455 3.014 20.444) 21.968 12.824 ( -1.662 5.567 -1.659) 6.042 13.086 ( -1.536 -4.993 -0.176) 5.227 13.712 ( 1.955 6.036 0.582) 6.371 14.864 ( 0.971 4.390 -0.308) 4.507 14.974 ( -2.358 -7.500 8.565) 11.626 15.526 ( -3.787 10.761 -0.037) 11.408 16.801 ( 3.021 3.358 -1.257) 4.688 17.248 ( -2.844 -1.032 -1.943) 3.596 18.362 ( 8.573 -1.429 -7.457) 11.452 18.852 ( -7.655 -0.822 4.016) 8.683 19.406 ( 2.017 -0.157 1.728) 2.661 ======================= Grid point 110 (37/251) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -1.689 -1.682 -0.153) 2.389 1.851 ( -0.863 0.777 0.138) 1.169 1.914 ( 1.641 2.071 1.874) 3.240 2.411 ( 13.157 -4.446 -5.220) 14.836 2.520 ( -10.748 1.320 -1.411) 10.920 2.918 ( 4.476 -6.704 -8.105) 11.432 3.140 ( -1.967 10.971 -8.021) 13.733 3.384 ( -1.446 -11.821 4.929) 12.889 3.600 ( -8.098 5.503 9.637) 13.738 3.841 ( 2.863 1.450 5.203) 6.113 3.989 ( -0.306 -2.761 0.167) 2.783 4.247 ( -0.327 8.708 -3.047) 9.231 4.709 ( 2.598 -5.044 5.683) 8.030 5.210 ( -6.543 -3.728 -2.122) 7.823 5.452 ( 1.988 2.904 7.797) 8.554 5.790 ( -2.504 5.315 3.499) 6.838 5.875 ( 0.790 1.274 1.544) 2.152 7.041 ( -0.448 -0.813 0.119) 0.936 7.332 ( 5.877 -2.509 -1.088) 6.482 7.394 ( -5.002 -4.271 0.400) 6.590 10.402 ( -1.320 0.292 2.680) 3.002 10.640 ( -3.734 -5.209 -0.208) 6.412 10.959 ( 4.207 0.260 2.669) 4.989 11.061 ( 4.089 -3.668 -10.533) 11.879 11.801 ( -7.863 2.358 21.760) 23.257 12.725 ( -0.942 2.199 -1.994) 3.114 13.082 ( 3.273 5.193 -3.861) 7.252 13.694 ( -0.224 -2.806 1.748) 3.314 14.738 ( -0.527 7.684 -4.222) 8.783 15.128 ( -3.695 -4.371 10.297) 11.781 15.380 ( 0.941 -0.219 -1.061) 1.435 16.778 ( 3.952 1.595 -1.243) 4.439 17.203 ( -1.837 2.305 -5.318) 6.080 18.468 ( 6.948 -4.229 -3.000) 8.670 18.805 ( -9.430 -0.472 3.214) 9.974 19.411 ( 2.460 2.012 1.269) 3.422 ======================= Grid point 111 (38/251) ======================= q-point: (-0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -3.870 6.638 1.199) 7.777 1.720 ( -4.132 9.653 -1.610) 10.623 1.891 ( 1.322 2.994 3.955) 5.133 2.393 ( -9.995 1.522 -1.908) 10.289 2.479 ( 5.464 8.604 -5.547) 11.604 2.939 ( 9.191 3.412 -5.877) 11.431 3.022 ( 0.039 -0.453 -2.771) 2.808 3.429 ( -4.602 6.235 7.070) 10.490 3.625 ( -2.330 -4.678 6.346) 8.221 3.844 ( -0.780 0.165 7.035) 7.080 3.995 ( 1.248 3.712 -2.446) 4.618 4.042 ( -5.047 1.950 -2.898) 6.138 4.810 ( 1.943 -1.373 5.668) 6.147 5.285 ( -6.804 -9.548 -3.757) 12.312 5.437 ( 4.191 3.193 5.003) 7.266 5.732 ( -0.390 0.408 -1.048) 1.190 5.873 ( -3.912 -2.420 3.906) 6.035 7.066 ( 3.038 0.115 1.629) 3.449 7.393 ( -1.013 -1.155 2.086) 2.591 7.505 ( 8.357 -5.661 -0.811) 10.126 10.362 ( -2.225 2.690 2.217) 4.135 10.708 ( 1.483 -2.631 2.076) 3.665 11.025 ( -4.112 -5.576 -0.262) 6.933 11.130 ( 5.355 -1.628 -9.174) 10.747 11.767 ( -8.387 0.399 26.737) 28.024 12.726 ( 2.860 -1.844 -5.133) 6.158 12.945 ( 6.738 11.220 -5.445) 14.175 13.799 ( -2.856 -8.069 3.440) 9.225 14.576 ( 0.923 6.973 -3.708) 7.952 15.100 ( -3.368 2.970 3.337) 5.594 15.556 ( 3.219 -11.917 3.215) 12.756 16.791 ( 7.629 2.004 -1.795) 8.090 17.118 ( -3.386 2.074 -6.388) 7.521 18.593 ( 3.509 -3.970 -5.064) 7.329 18.750 ( -8.942 -1.650 5.656) 10.708 19.377 ( 3.027 3.981 0.747) 5.057 ======================= Grid point 112 (39/251) ======================= q-point: (-0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -7.098 12.100 3.182) 14.385 1.437 ( -7.229 14.652 -0.885) 16.362 1.820 ( 2.212 7.638 5.273) 9.541 2.184 ( -6.500 13.736 -6.426) 16.499 2.267 ( -5.582 9.174 1.766) 10.883 2.953 ( 2.997 2.972 2.326) 4.819 3.078 ( 5.759 -0.421 3.512) 6.759 3.229 ( -0.802 6.875 -0.960) 6.988 3.593 ( -5.289 2.689 4.235) 7.290 3.828 ( 0.097 1.739 8.726) 8.898 4.010 ( -4.300 -0.041 2.623) 5.037 4.095 ( 3.356 -9.438 -4.878) 11.142 4.819 ( -3.070 0.533 2.202) 3.815 5.402 ( -3.758 -7.235 -5.086) 9.609 5.438 ( 1.590 0.042 1.961) 2.525 5.718 ( 1.592 0.864 -2.692) 3.245 5.955 ( -3.099 -7.341 6.073) 10.019 7.070 ( 5.646 4.430 0.997) 7.245 7.389 ( 0.099 1.643 2.277) 2.810 7.688 ( 10.801 -5.144 -4.477) 12.774 10.298 ( -1.797 2.241 1.762) 3.370 10.775 ( 5.072 -0.628 4.440) 6.770 11.037 ( -8.622 -2.007 -9.286) 12.830 11.164 ( 0.845 -0.908 -2.011) 2.363 11.837 ( -10.478 -7.393 32.515) 34.952 12.682 ( 8.261 13.073 -6.544) 16.792 12.850 ( 4.260 -1.819 -5.955) 7.544 13.958 ( -3.890 -10.071 4.579) 11.727 14.506 ( 5.978 1.840 -1.983) 6.562 15.022 ( -3.031 3.163 1.225) 4.549 15.832 ( 4.130 -12.250 3.566) 13.410 16.792 ( 16.910 8.018 -3.460) 19.032 17.056 ( -10.134 -3.496 -4.818) 11.753 18.580 ( -7.635 -0.275 -9.795) 12.422 18.813 ( 0.336 -4.697 7.496) 8.852 19.318 ( 3.607 4.978 0.137) 6.150 ======================= Grid point 113 (40/251) ======================= q-point: (-0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -10.725 14.387 5.070) 18.647 1.041 ( -10.030 18.874 1.177) 21.406 1.640 ( -0.110 17.100 11.468) 20.589 1.836 ( -14.117 10.463 -2.498) 17.749 2.009 ( -3.057 12.355 7.962) 15.013 2.887 ( -0.516 3.977 4.182) 5.794 3.090 ( 0.889 -3.154 8.721) 9.316 3.329 ( 13.877 -4.649 -5.885) 15.774 3.487 ( -1.178 6.158 3.252) 7.063 3.862 ( -4.819 -3.734 6.663) 9.031 3.960 ( -10.257 -0.538 5.041) 11.441 4.255 ( 3.207 -4.163 -1.012) 5.351 4.790 ( -3.681 -0.849 -0.346) 3.793 5.391 ( -1.479 2.392 -1.677) 3.274 5.504 ( -4.756 -6.374 -7.709) 11.076 5.736 ( 4.283 -0.562 -1.716) 4.648 6.114 ( 1.829 -7.495 7.797) 10.969 6.953 ( 7.845 14.333 -5.028) 17.096 7.357 ( 1.989 2.827 1.235) 3.671 7.818 ( 10.253 -0.807 -10.708) 14.847 10.281 ( -1.755 -1.958 2.359) 3.533 10.821 ( 3.661 2.371 2.552) 5.053 10.964 ( -7.280 -1.428 -4.230) 8.540 11.134 ( -3.579 2.078 -4.843) 6.370 12.077 ( -16.165 -19.429 41.816) 48.861 12.470 ( 6.305 12.012 -1.790) 13.684 12.924 ( 5.603 -2.558 -7.842) 9.971 14.140 ( -2.819 -10.374 3.991) 11.467 14.592 ( 11.086 -3.273 3.050) 11.954 14.931 ( -4.111 3.790 1.317) 5.745 16.095 ( 5.045 -9.903 3.647) 11.697 16.741 ( 24.935 13.579 -4.067) 28.683 17.057 ( -14.103 -7.494 -3.158) 16.280 18.466 ( -9.388 2.034 -14.813) 17.655 18.911 ( 0.932 -2.627 4.684) 5.451 19.255 ( 3.761 4.478 -0.496) 5.869 ======================= Grid point 114 (41/251) ======================= q-point: (-0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -12.490 14.937 7.602) 20.902 0.641 ( -13.922 12.424 13.745) 23.175 1.185 ( -17.344 23.822 25.119) 38.721 1.639 ( -2.186 4.730 0.904) 5.289 1.866 ( -2.271 3.410 9.644) 10.478 2.845 ( -0.300 1.651 2.927) 3.373 3.334 ( 12.844 -14.055 14.631) 24.012 3.387 ( -1.169 1.613 4.851) 5.244 3.498 ( 13.545 -2.645 -8.627) 16.275 3.833 ( -19.325 -3.577 -0.514) 19.660 3.967 ( -14.714 -6.861 8.978) 18.552 4.308 ( 2.957 0.007 7.023) 7.620 4.785 ( -1.965 -0.652 -2.766) 3.455 5.345 ( 0.196 0.265 -2.926) 2.945 5.523 ( -5.019 -2.145 -9.890) 11.296 5.757 ( 4.764 3.564 -3.494) 6.899 6.284 ( 10.958 0.546 3.576) 11.539 6.549 ( 5.719 30.515 -12.305) 33.396 7.326 ( 2.623 2.465 0.458) 3.628 7.806 ( 4.179 4.442 -11.539) 13.052 10.369 ( -3.510 -8.222 2.416) 9.260 10.716 ( -14.998 2.067 -4.783) 15.877 10.915 ( 2.257 7.913 -1.257) 8.324 11.096 ( 1.576 -2.936 0.507) 3.371 12.333 ( 6.865 6.369 0.834) 9.402 12.666 ( -27.205 -47.321 44.806) 70.619 12.987 ( 6.398 -1.241 -7.149) 9.674 14.316 ( -1.499 -8.476 1.653) 8.764 14.759 ( 1.155 4.248 4.590) 6.360 14.971 ( 15.783 -19.937 21.194) 33.103 16.300 ( 4.705 -5.875 4.687) 8.867 16.674 ( 37.030 18.135 -2.899) 41.334 17.080 ( -15.692 -8.207 -2.400) 17.871 18.143 ( -16.334 21.765 -29.514) 40.145 18.946 ( 0.159 0.050 1.938) 1.945 19.215 ( 3.107 2.348 -0.464) 3.922 ======================= Grid point 116 (42/251) ======================= q-point: ( 0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 2.416 0.000 21.847) 21.981 0.701 ( 6.845 0.000 19.187) 20.371 0.884 ( 20.601 0.000 19.755) 28.542 1.614 ( 1.997 0.000 1.923) 2.772 1.827 ( -4.948 -0.000 12.716) 13.645 2.817 ( -3.427 -0.000 3.243) 4.718 3.099 ( -24.212 -0.000 7.602) 25.378 3.382 ( -4.930 -0.000 1.096) 5.050 3.525 ( -11.592 -0.000 -8.831) 14.573 3.746 ( -1.131 -0.000 -2.016) 2.311 4.204 ( 14.503 0.000 -9.788) 17.496 4.687 ( 2.262 0.000 -6.321) 6.714 4.767 ( 8.544 0.000 1.922) 8.757 5.444 ( -1.081 -0.000 -6.400) 6.490 5.475 ( 9.872 0.000 -4.487) 10.844 5.682 ( 10.783 0.000 13.703) 17.436 6.091 ( -0.590 -0.000 1.729) 1.827 6.573 ( 1.330 0.000 10.528) 10.611 7.321 ( -1.700 -0.000 0.865) 1.908 7.587 ( -9.366 -0.000 -8.211) 12.455 10.260 ( -7.902 -0.000 9.894) 12.662 10.394 ( -3.500 -0.000 -2.914) 4.555 10.819 ( -0.385 -0.000 -2.201) 2.234 11.349 ( 9.042 0.000 6.791) 11.308 12.270 ( -5.399 -0.000 5.590) 7.771 12.877 ( -8.249 -0.000 10.838) 13.620 13.019 ( 0.861 0.000 -6.418) 6.476 14.359 ( -3.034 -0.000 -0.720) 3.118 14.695 ( -1.403 -0.000 6.267) 6.422 15.955 ( -0.587 -0.000 -6.148) 6.176 16.046 ( -42.646 -0.000 21.490) 47.755 16.361 ( -10.971 -0.000 7.889) 13.512 17.349 ( 15.506 0.000 -0.892) 15.532 17.933 ( 38.295 0.000 -21.112) 43.729 18.918 ( -3.546 -0.000 1.042) 3.696 19.253 ( 3.254 0.000 0.472) 3.288 ======================= Grid point 117 (43/251) ======================= q-point: ( 0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 8.433 -5.405 12.914) 16.343 1.006 ( 15.357 -10.615 10.513) 21.425 1.233 ( 11.897 -11.073 11.429) 19.869 1.771 ( 7.666 -10.498 2.481) 13.234 1.886 ( -3.868 -6.907 11.196) 13.712 2.810 ( -6.207 -1.922 2.900) 7.115 2.998 ( -16.047 -4.643 7.012) 18.117 3.279 ( -7.089 3.438 -2.574) 8.289 3.470 ( -9.772 -5.075 -1.072) 11.063 3.728 ( -0.811 0.269 -3.754) 3.850 4.161 ( 12.760 10.783 -6.979) 18.105 4.628 ( 3.587 9.190 12.648) 16.041 4.733 ( 2.550 -0.531 -7.015) 7.483 5.251 ( -0.471 7.059 -7.702) 10.459 5.662 ( 11.578 -1.392 5.595) 12.934 5.894 ( 5.542 -1.947 3.086) 6.635 6.353 ( -5.900 -23.851 -3.769) 24.857 6.542 ( 0.554 5.650 10.188) 11.663 7.309 ( -3.917 -0.148 1.889) 4.351 7.483 ( -12.016 -0.691 -13.016) 17.729 10.257 ( -1.110 -1.319 5.942) 6.187 10.338 ( -3.864 1.252 -1.407) 4.299 10.849 ( -1.191 -3.692 -4.999) 6.328 11.398 ( 7.631 4.324 5.169) 10.180 12.267 ( -3.239 1.125 11.546) 12.045 12.695 ( -1.725 9.032 9.967) 13.561 13.032 ( 0.017 -0.474 -5.011) 5.033 14.259 ( -2.460 6.916 0.106) 7.341 14.725 ( -4.375 -2.570 6.134) 7.961 15.370 ( -6.248 20.926 12.083) 24.959 16.149 ( -6.924 2.707 -2.145) 7.737 16.459 ( -21.726 -19.118 7.605) 29.922 17.389 ( 19.213 8.058 -0.617) 20.843 18.208 ( 13.746 -7.273 -16.623) 22.764 18.873 ( -5.537 0.965 1.367) 5.785 19.300 ( 4.345 -1.315 0.681) 4.591 ======================= Grid point 118 (44/251) ======================= q-point: ( 0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 10.303 -12.548 1.500) 16.305 1.361 ( 14.882 -11.153 5.671) 19.443 1.535 ( 3.524 -11.995 5.205) 13.542 2.009 ( 5.027 -8.220 2.760) 10.023 2.110 ( 4.163 -11.305 3.195) 12.463 2.801 ( -8.258 -3.071 1.873) 9.007 2.972 ( -5.358 2.036 2.869) 6.410 3.286 ( -9.728 -13.063 5.572) 17.214 3.491 ( -10.733 -3.875 2.138) 11.609 3.715 ( 0.924 -1.216 -4.699) 4.941 4.033 ( 7.329 8.598 -4.316) 12.094 4.529 ( 4.376 6.326 1.771) 7.893 4.743 ( 0.526 3.114 7.937) 8.542 5.124 ( -1.792 1.876 -9.671) 10.013 5.770 ( 12.836 3.234 7.995) 15.464 5.921 ( 2.352 1.512 3.232) 4.274 6.383 ( 0.252 10.341 8.584) 13.442 6.726 ( -8.203 -18.111 -2.628) 20.055 7.251 ( -8.287 1.823 -0.722) 8.516 7.359 ( -9.149 -0.645 -13.208) 16.080 10.297 ( -4.915 -1.131 0.628) 5.082 10.319 ( 1.415 -3.450 1.102) 3.888 10.895 ( 0.799 -3.153 -7.519) 8.192 11.336 ( 4.845 8.151 2.724) 9.866 12.147 ( -2.685 12.027 18.568) 22.286 12.713 ( -2.555 -8.523 4.616) 10.024 13.000 ( -0.625 2.222 -4.114) 4.718 14.083 ( -0.468 9.810 0.476) 9.833 14.752 ( -6.019 -3.244 7.977) 10.506 15.097 ( -1.315 9.176 4.909) 10.490 15.966 ( -4.573 9.969 -0.598) 10.984 16.640 ( -17.355 -14.036 3.879) 22.655 17.379 ( 18.617 8.389 -1.024) 20.445 18.329 ( 5.749 -2.502 -12.850) 14.298 18.811 ( -8.157 0.074 2.557) 8.549 19.369 ( 4.685 -1.525 1.517) 5.155 ======================= Grid point 119 (45/251) ======================= q-point: ( 0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 8.176 -10.093 -0.950) 13.023 1.670 ( 5.832 -9.484 3.502) 11.672 1.783 ( 4.942 -9.009 3.528) 10.864 2.217 ( 7.735 -7.675 -4.276) 11.706 2.330 ( 5.171 -8.539 -1.482) 10.091 2.771 ( -7.005 0.956 -1.891) 7.319 2.957 ( -6.546 -6.907 7.062) 11.850 3.414 ( -7.747 2.708 -3.172) 8.798 3.525 ( -9.481 -13.149 7.753) 17.969 3.797 ( 3.791 -5.990 -2.415) 7.489 3.942 ( 1.306 3.726 0.002) 3.948 4.458 ( 2.685 4.520 -3.651) 6.400 4.664 ( 3.688 7.345 11.728) 14.321 5.105 ( -4.853 -3.765 -5.768) 8.426 5.739 ( 7.346 10.350 6.423) 14.225 5.941 ( 3.675 0.813 4.367) 5.765 6.185 ( -0.625 12.298 8.195) 14.792 6.929 ( -7.258 -9.851 -0.116) 12.237 7.138 ( -10.140 -1.974 -8.835) 13.593 7.307 ( -2.584 -1.115 -4.230) 5.081 10.312 ( -4.652 -4.285 1.509) 6.502 10.399 ( -0.542 -4.066 -1.090) 4.244 10.950 ( 4.864 -2.754 -8.942) 10.545 11.205 ( 4.098 9.291 1.952) 10.341 11.957 ( -5.329 8.656 18.556) 21.157 12.877 ( -4.124 -5.500 0.080) 6.875 12.922 ( -3.355 -0.173 0.066) 3.360 13.904 ( 3.437 9.578 -0.749) 10.204 14.823 ( -4.749 -6.237 10.775) 13.325 14.967 ( -0.691 4.965 -1.110) 5.135 15.714 ( -4.269 12.040 0.218) 12.776 16.721 ( -12.463 -6.569 0.418) 14.095 17.378 ( 17.265 6.721 -1.389) 18.579 18.367 ( 4.166 -1.500 -9.187) 10.198 18.753 ( -11.004 -1.175 3.133) 11.502 19.435 ( 4.619 -0.706 1.944) 5.061 ======================= Grid point 120 (46/251) ======================= q-point: ( 0.50 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 5.317 -5.583 -1.093) 7.786 1.823 ( 0.396 -3.720 2.402) 4.446 1.940 ( 2.773 -2.270 2.332) 4.275 2.391 ( 3.182 -4.763 -6.049) 8.331 2.467 ( 4.384 -1.667 -2.124) 5.148 2.775 ( 1.689 -8.299 -4.643) 9.658 3.119 ( -5.644 -11.624 6.499) 14.464 3.265 ( -2.506 5.481 -8.980) 10.814 3.602 ( -10.741 -1.216 6.008) 12.367 3.885 ( 3.002 0.423 -1.448) 3.360 3.962 ( 0.834 -3.081 7.823) 8.449 4.371 ( -0.963 4.055 -4.766) 6.331 4.662 ( 4.672 -0.269 9.866) 10.920 5.110 ( -6.034 -2.326 -3.136) 7.187 5.599 ( 3.718 8.798 5.904) 11.228 5.934 ( 1.153 3.182 3.581) 4.927 5.961 ( -1.938 11.746 5.766) 13.227 6.986 ( -3.045 -3.174 -1.880) 4.784 7.171 ( -8.372 -9.099 -2.528) 12.621 7.340 ( 3.090 -3.176 -1.385) 4.643 10.378 ( -1.804 -3.294 2.855) 4.717 10.462 ( -4.794 -6.324 -1.275) 8.037 11.001 ( 2.083 0.228 -7.401) 7.692 11.105 ( 8.819 4.542 -0.345) 9.926 11.851 ( -6.169 3.309 18.885) 20.141 12.773 ( -2.993 4.874 -1.628) 5.947 13.032 ( -5.111 -7.404 0.603) 9.017 13.781 ( 6.260 7.051 -1.003) 9.482 14.840 ( -2.582 4.850 -2.312) 5.962 14.990 ( -2.058 -8.397 9.525) 12.864 15.468 ( -3.314 9.299 -0.028) 9.871 16.714 ( -9.350 -3.021 -1.821) 9.994 17.381 ( 17.315 7.438 -2.750) 19.044 18.426 ( 3.583 -3.570 -5.534) 7.497 18.689 ( -13.409 -1.565 3.309) 13.900 19.476 ( 4.202 0.877 1.937) 4.710 ======================= Grid point 121 (47/251) ======================= q-point: (-0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 1.979 1.677 -0.249) 2.606 1.833 ( -1.587 3.719 1.295) 4.246 1.950 ( 1.388 2.080 1.385) 2.858 2.320 ( -10.763 0.519 -3.080) 11.207 2.613 ( 12.514 -0.613 -2.733) 12.823 2.948 ( 3.619 -5.242 -6.722) 9.261 3.094 ( 3.941 6.245 -9.852) 12.312 3.382 ( -1.964 -14.266 3.627) 14.851 3.496 ( -9.325 2.517 6.881) 11.860 3.887 ( -1.017 1.788 4.947) 5.357 4.014 ( 0.518 -0.044 6.402) 6.423 4.203 ( -1.814 11.640 -3.703) 12.349 4.769 ( -0.343 -5.424 4.968) 7.363 5.108 ( -2.798 -3.124 -2.165) 4.719 5.542 ( 3.567 2.502 5.698) 7.173 5.766 ( -2.446 6.446 2.745) 7.421 5.874 ( -2.481 3.186 3.124) 5.105 7.043 ( 0.968 -3.879 -0.726) 4.063 7.270 ( -6.701 -7.400 1.318) 10.070 7.466 ( 6.998 -5.581 -1.017) 9.008 10.383 ( -2.613 1.014 2.399) 3.690 10.586 ( -2.516 -8.839 0.708) 9.218 10.955 ( -1.705 1.065 -2.414) 3.142 11.147 ( 8.079 -0.049 -5.815) 9.954 11.812 ( -5.820 2.153 21.308) 22.193 12.702 ( 0.059 -0.029 -2.549) 2.549 13.087 ( -0.401 -0.489 -2.612) 2.688 13.734 ( 3.372 1.875 1.742) 4.233 14.701 ( -0.572 6.551 -4.246) 7.827 15.110 ( -4.673 -1.146 8.668) 9.914 15.393 ( 0.661 -5.380 0.277) 5.427 16.699 ( -8.377 -3.936 -2.328) 9.543 17.351 ( 18.899 10.079 -4.076) 21.803 18.498 ( -4.189 -3.772 -8.497) 10.197 18.643 ( -7.921 -3.252 8.034) 11.741 19.478 ( 3.538 2.750 1.641) 4.773 ======================= Grid point 122 (48/251) ======================= q-point: (-0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -1.139 9.687 1.890) 9.935 1.653 ( -2.985 12.214 -0.351) 12.578 1.919 ( -1.051 2.270 3.198) 4.060 2.238 ( -6.521 1.297 -3.263) 7.406 2.523 ( 4.736 14.791 -7.170) 17.106 2.984 ( -0.769 -1.124 -4.091) 4.312 3.115 ( 12.382 -1.537 -0.717) 12.498 3.378 ( -4.668 5.909 4.447) 8.745 3.600 ( -3.924 -0.550 5.688) 6.932 3.809 ( -6.662 -2.773 3.203) 7.895 4.018 ( 0.350 2.192 5.497) 5.928 4.030 ( 3.691 2.434 -0.898) 4.511 4.827 ( -2.728 0.118 1.971) 3.368 5.180 ( -2.863 -7.550 -3.902) 8.968 5.537 ( 4.891 3.583 3.157) 6.836 5.727 ( -0.688 -0.398 0.807) 1.133 5.830 ( -4.008 -2.973 6.227) 7.980 7.123 ( 3.216 -2.110 -0.111) 3.848 7.343 ( -5.119 -4.504 2.389) 7.225 7.637 ( 7.286 -6.391 -3.821) 10.418 10.333 ( -2.554 2.352 2.423) 4.234 10.733 ( 1.032 -6.685 1.267) 6.882 10.919 ( -5.839 -0.515 -5.000) 7.705 11.173 ( 2.976 0.562 -5.028) 5.869 11.801 ( -6.253 0.198 26.334) 27.066 12.756 ( 4.264 -4.001 -4.661) 7.477 13.012 ( 4.795 9.233 -4.392) 11.293 13.781 ( -2.729 -5.517 4.843) 7.832 14.599 ( 4.353 3.783 -2.130) 6.148 15.055 ( -4.259 2.798 3.466) 6.163 15.613 ( 1.335 -13.390 3.019) 13.791 16.720 ( -7.920 -5.906 -2.509) 10.193 17.286 ( 19.823 12.001 -3.666) 23.461 18.435 ( -13.479 -2.086 -10.041) 16.937 18.742 ( 1.008 -5.390 8.327) 9.970 19.439 ( 2.655 4.235 1.047) 5.107 ======================= Grid point 123 (49/251) ======================= q-point: (-0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -3.299 15.466 4.532) 16.450 1.346 ( -2.945 17.299 -0.385) 17.552 1.852 ( -2.858 4.141 1.258) 5.187 2.035 ( -4.215 16.206 -0.875) 16.768 2.251 ( 1.088 12.508 -1.085) 12.602 2.981 ( 0.234 1.087 1.093) 1.559 3.101 ( -6.150 8.254 6.363) 12.102 3.334 ( 13.036 -3.877 -1.266) 13.659 3.559 ( 0.011 0.986 1.527) 1.817 3.824 ( -6.634 0.761 8.689) 10.959 3.979 ( -3.000 4.111 7.593) 9.141 4.139 ( 4.170 -8.651 -4.118) 10.449 4.772 ( -3.347 1.331 0.486) 3.635 5.305 ( -1.544 -8.133 -7.013) 10.849 5.471 ( -0.419 5.846 0.626) 5.894 5.740 ( 1.935 -1.513 0.722) 2.560 5.978 ( 0.553 -9.455 9.159) 13.176 7.143 ( 3.238 3.450 -1.915) 5.104 7.370 ( -3.536 -1.463 2.654) 4.658 7.785 ( 4.997 -5.337 -11.089) 13.282 10.279 ( -1.550 1.855 2.421) 3.421 10.809 ( -10.751 2.499 -6.829) 12.979 10.878 ( 3.449 -5.835 1.745) 6.999 11.148 ( -0.872 1.924 -3.740) 4.295 11.872 ( -8.120 -5.470 32.028) 33.491 12.788 ( 7.632 12.974 -3.034) 15.355 12.887 ( 4.264 -2.560 -5.105) 7.128 13.921 ( -4.056 -10.301 4.902) 12.108 14.632 ( 8.910 -1.570 2.263) 9.326 14.972 ( -4.017 3.330 1.932) 5.564 15.895 ( 0.507 -13.743 3.295) 14.141 16.780 ( -5.702 -6.899 -2.984) 9.435 17.198 ( 17.505 12.219 -1.426) 21.396 18.340 ( -10.177 -1.674 -13.146) 16.709 18.867 ( 0.803 -4.100 6.818) 7.996 19.371 ( 1.581 4.752 0.224) 5.013 ======================= Grid point 124 (50/251) ======================= q-point: (-0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -3.533 18.310 4.951) 19.294 0.951 ( -0.710 21.123 2.095) 21.238 1.580 ( -10.585 20.061 5.805) 23.413 1.776 ( 4.372 8.907 5.150) 11.179 2.029 ( -0.509 11.394 7.101) 13.435 2.899 ( -1.151 4.222 4.971) 6.623 3.114 ( -3.138 -9.117 3.360) 10.210 3.478 ( -0.360 2.041 3.237) 3.844 3.544 ( 11.633 0.076 -3.911) 12.273 3.796 ( -4.191 -1.477 5.430) 7.017 3.855 ( -8.008 5.160 7.415) 12.072 4.297 ( 2.884 -5.214 1.285) 6.096 4.759 ( -1.070 -0.971 0.304) 1.476 5.342 ( -2.922 1.091 -5.850) 6.630 5.426 ( 2.001 -2.966 -4.226) 5.537 5.795 ( 3.200 -1.028 0.982) 3.502 6.213 ( 3.179 -10.098 10.342) 14.800 6.990 ( 1.019 14.292 -9.592) 17.242 7.365 ( -1.915 0.326 2.223) 2.952 7.827 ( 0.079 -0.603 -19.086) 19.095 10.262 ( -2.158 -0.946 3.722) 4.405 10.617 ( -15.426 3.616 -4.453) 16.458 11.033 ( -1.452 -1.977 -2.816) 3.734 11.068 ( 6.630 1.425 2.349) 7.177 12.079 ( -12.128 -15.264 37.556) 42.315 12.577 ( 6.782 12.244 1.617) 14.090 12.977 ( 5.183 -2.888 -5.650) 8.193 14.116 ( -2.551 -11.120 2.951) 11.784 14.827 ( 11.638 -9.019 9.966) 17.779 14.870 ( -4.700 4.103 2.890) 6.876 16.141 ( -2.724 -11.456 3.486) 12.280 16.872 ( -0.678 -6.144 -3.368) 7.039 17.096 ( 10.065 10.221 1.737) 14.449 18.239 ( -1.018 3.977 -20.491) 20.898 18.935 ( -1.257 -1.430 4.067) 4.490 19.295 ( 0.822 3.879 0.087) 3.966 ======================= Grid point 127 (51/251) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 6.675 0.000 18.796) 19.946 0.865 ( 4.074 0.000 17.349) 17.821 1.465 ( 34.732 0.000 7.259) 35.482 1.683 ( 5.531 0.000 2.233) 5.965 1.818 ( -4.420 -0.000 12.654) 13.404 2.740 ( -8.056 -0.000 1.513) 8.197 2.810 ( -16.187 -0.000 5.666) 17.150 3.276 ( -13.548 -0.000 -1.358) 13.616 3.332 ( -1.483 -0.000 -1.465) 2.085 3.702 ( -2.372 -0.000 -4.797) 5.351 4.337 ( 7.998 0.000 -5.859) 9.915 4.719 ( 5.310 0.000 -5.319) 7.515 4.761 ( -6.507 -0.000 -5.576) 8.570 5.446 ( 1.312 0.000 5.344) 5.503 5.640 ( 13.011 0.000 -4.963) 13.926 5.939 ( 11.391 0.000 12.691) 17.054 6.076 ( -2.942 -0.000 4.480) 5.360 6.635 ( -0.151 -0.000 8.750) 8.751 7.277 ( -4.294 -0.000 1.380) 4.511 7.338 ( -13.923 -0.000 -11.772) 18.232 10.246 ( -1.911 -0.000 6.029) 6.324 10.332 ( -2.379 -0.000 -1.912) 3.052 10.793 ( 0.827 0.000 -5.488) 5.550 11.526 ( 7.845 0.000 5.702) 9.698 12.256 ( -1.332 -0.000 8.178) 8.285 12.836 ( -4.940 -0.000 7.448) 8.937 12.986 ( -0.435 -0.000 -5.571) 5.588 14.298 ( -3.851 -0.000 -0.985) 3.975 14.686 ( -4.649 -0.000 7.581) 8.893 15.662 ( -19.833 -0.000 13.251) 23.852 15.849 ( -8.525 -0.000 -4.524) 9.651 16.241 ( -6.822 -0.000 5.141) 8.542 17.640 ( 18.921 0.000 0.438) 18.926 18.183 ( 8.627 0.000 -10.363) 13.484 18.843 ( -6.130 -0.000 0.469) 6.147 19.328 ( 5.737 0.000 -1.313) 5.885 ======================= Grid point 128 (52/251) ======================= q-point: ( 0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 10.396 -4.656 10.242) 15.319 1.188 ( 2.643 -15.768 12.102) 20.052 1.589 ( 19.276 4.231 5.424) 20.467 1.880 ( -4.081 -7.503 10.598) 13.611 1.988 ( 18.361 -10.167 2.036) 21.086 2.676 ( -9.630 -2.178 0.686) 9.897 2.835 ( -10.324 -10.489 6.181) 15.963 3.113 ( -11.570 3.588 0.679) 12.133 3.368 ( -2.458 -3.446 -0.409) 4.253 3.676 ( -1.761 -0.973 -4.564) 4.988 4.274 ( 6.561 9.948 -8.529) 14.654 4.623 ( -7.107 3.719 -1.005) 8.084 4.769 ( 3.713 -1.528 -0.140) 4.018 5.275 ( 4.746 12.266 2.507) 13.389 5.870 ( 10.010 -5.269 3.841) 11.946 6.006 ( 3.805 3.041 5.791) 7.567 6.282 ( -1.185 -17.728 3.044) 18.027 6.591 ( -0.578 6.164 7.216) 9.508 7.172 ( -15.811 0.956 -9.150) 18.293 7.258 ( -3.887 -1.132 -3.238) 5.184 10.262 ( -3.234 -1.100 2.781) 4.405 10.288 ( -1.591 0.780 0.898) 1.986 10.827 ( 3.607 -3.067 -7.882) 9.195 11.528 ( 5.043 6.575 3.850) 9.137 12.315 ( 0.041 -1.272 11.376) 11.447 12.682 ( -4.761 8.332 5.587) 11.104 12.992 ( -1.194 -0.791 -4.656) 4.871 14.214 ( -2.886 4.972 -0.462) 5.767 14.677 ( -6.483 -1.505 8.194) 10.557 15.299 ( -7.192 14.077 4.906) 16.551 16.019 ( -7.431 -6.776 -6.876) 12.182 16.230 ( -11.194 -8.507 9.031) 16.710 17.703 ( 18.770 8.076 -0.014) 20.434 18.257 ( 2.029 -4.296 -7.444) 8.831 18.773 ( -7.540 1.475 0.753) 7.720 19.384 ( 5.474 -1.308 -1.150) 5.744 ======================= Grid point 129 (53/251) ======================= q-point: ( 0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 12.230 -9.921 1.697) 15.839 1.506 ( 0.421 -12.990 6.868) 14.700 1.729 ( 13.240 -2.844 5.592) 14.651 2.062 ( -0.282 -10.680 5.835) 12.173 2.270 ( 13.338 -6.136 -1.194) 14.731 2.685 ( -5.870 -3.854 0.390) 7.033 2.866 ( -10.116 1.774 3.688) 10.912 3.146 ( -11.375 -16.702 5.759) 21.013 3.383 ( -2.527 -0.205 -1.730) 3.069 3.716 ( 2.571 -4.517 -1.963) 5.556 4.083 ( 2.330 9.661 -6.487) 11.868 4.525 ( -2.837 2.684 -3.013) 4.933 4.811 ( -0.824 0.691 10.272) 10.328 5.115 ( 5.437 8.226 -2.439) 10.157 5.947 ( -0.928 5.028 3.858) 6.405 6.022 ( 10.799 0.773 8.138) 13.544 6.421 ( -0.748 10.095 6.236) 11.889 6.610 ( -4.881 -15.214 0.305) 15.981 7.006 ( -13.493 -0.004 -11.469) 17.709 7.250 ( -2.492 -1.691 -1.679) 3.448 10.225 ( -3.774 -0.491 0.056) 3.807 10.329 ( -1.797 -3.426 2.560) 4.638 10.911 ( 6.939 -3.583 -9.246) 12.102 11.412 ( 2.629 8.828 2.677) 9.592 12.207 ( -1.857 14.285 14.972) 20.776 12.659 ( -6.305 -8.353 2.688) 10.805 12.953 ( -2.052 2.345 -3.884) 4.979 14.082 ( 0.627 7.049 -1.247) 7.186 14.703 ( -6.208 -4.460 9.787) 12.419 15.066 ( -3.437 7.499 0.272) 8.253 15.898 ( -3.028 9.483 -2.817) 10.345 16.410 ( -12.683 -14.321 3.053) 19.372 17.682 ( 18.540 8.911 -1.134) 20.601 18.315 ( 0.216 -3.101 -6.378) 7.095 18.679 ( -9.570 1.325 2.024) 9.871 19.453 ( 4.498 -1.632 -0.242) 4.791 ======================= Grid point 130 (54/251) ======================= q-point: ( 0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 11.042 -6.370 -0.352) 12.752 1.724 ( -0.452 -8.175 3.996) 9.110 1.903 ( 5.859 -4.573 3.807) 8.351 2.273 ( 0.739 -7.374 -1.395) 7.541 2.477 ( 11.960 -6.228 -1.882) 13.615 2.632 ( -7.397 -0.871 -1.226) 7.548 2.899 ( -4.731 -8.993 6.729) 12.188 3.272 ( -7.238 -0.957 -2.540) 7.730 3.422 ( -5.093 -8.545 0.129) 9.949 3.869 ( 4.456 -7.331 2.161) 8.847 3.948 ( 0.143 4.034 -1.331) 4.251 4.423 ( -2.165 4.959 -4.324) 6.926 4.784 ( -2.141 3.555 13.645) 14.262 5.055 ( 4.059 1.635 -3.791) 5.789 5.812 ( -1.243 8.691 3.097) 9.310 6.050 ( 4.917 5.503 6.318) 9.715 6.198 ( -2.798 12.649 5.072) 13.912 6.827 ( -5.170 -10.908 0.678) 12.091 6.937 ( -6.741 -5.459 -8.146) 11.899 7.286 ( 0.745 -3.508 -0.436) 3.613 10.251 ( -3.325 -5.226 1.527) 6.380 10.376 ( -2.119 -2.351 1.232) 3.397 11.005 ( 7.673 -1.654 -9.557) 12.367 11.279 ( 3.569 7.366 1.402) 8.304 11.971 ( -5.034 10.033 16.285) 19.779 12.794 ( -6.397 -8.791 0.734) 10.897 12.851 ( -4.005 3.647 -1.621) 5.654 13.966 ( 5.087 6.795 -2.848) 8.953 14.793 ( -6.874 -5.978 9.806) 13.385 14.940 ( -0.390 2.925 -1.770) 3.441 15.653 ( -3.171 12.140 -0.295) 12.551 16.532 ( -9.476 -7.671 -1.971) 12.350 17.675 ( 19.281 7.533 -1.432) 20.750 18.355 ( -0.648 -3.097 -5.574) 6.410 18.584 ( -11.181 0.300 3.779) 11.807 19.510 ( 3.281 -0.896 0.332) 3.417 ======================= Grid point 131 (55/251) ======================= q-point: ( 0.60 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 7.261 -1.338 0.142) 7.385 1.834 ( -1.045 -2.914 3.297) 4.523 1.996 ( 4.032 -0.489 0.040) 4.062 2.236 ( -11.805 2.032 -3.145) 12.385 2.668 ( 13.314 -3.537 -1.086) 13.819 2.797 ( 3.868 -13.264 -4.501) 14.531 3.069 ( -4.316 -9.707 5.739) 12.075 3.214 ( 1.994 0.952 -7.954) 8.255 3.465 ( -8.122 -0.860 2.281) 8.480 3.916 ( -1.046 0.589 4.523) 4.679 4.017 ( 1.606 -3.081 5.609) 6.598 4.307 ( -1.795 3.456 -6.337) 7.438 4.733 ( -4.707 1.975 9.088) 10.424 5.074 ( 4.235 -0.451 -0.885) 4.350 5.654 ( -0.122 6.502 3.120) 7.213 5.937 ( -3.650 11.365 1.705) 12.058 5.961 ( -1.183 6.934 5.878) 9.167 6.948 ( 0.272 -5.857 -2.237) 6.276 7.048 ( -5.637 -10.039 0.410) 11.521 7.396 ( 3.639 -5.859 0.298) 6.904 10.365 ( -1.483 -4.733 2.764) 5.678 10.400 ( -2.422 -4.832 1.724) 5.674 10.999 ( 1.951 3.803 -5.188) 6.722 11.224 ( 6.771 3.046 -4.399) 8.630 11.861 ( -5.656 2.587 18.211) 19.243 12.723 ( -1.718 3.586 -1.650) 4.305 12.938 ( -6.237 -9.433 0.070) 11.309 13.880 ( 6.390 6.705 -2.611) 9.624 14.766 ( -4.563 2.666 -2.093) 5.684 15.016 ( -0.890 -7.015 8.705) 11.215 15.421 ( -2.297 8.248 0.146) 8.563 16.560 ( -6.420 -3.770 -4.358) 8.627 17.684 ( 19.898 8.361 -1.857) 21.663 18.353 ( -10.430 -1.878 -6.999) 12.700 18.556 ( -3.295 -3.464 7.229) 8.667 19.536 ( 1.879 0.610 0.511) 2.041 ======================= Grid point 132 (56/251) ======================= q-point: (-0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 2.780 4.916 1.769) 5.919 1.824 ( -0.613 5.190 2.321) 5.718 1.963 ( -0.817 4.666 -0.759) 4.798 2.153 ( -5.570 -3.293 -4.569) 7.921 2.769 ( 8.755 4.782 -4.209) 10.828 2.932 ( -1.781 -0.562 -4.028) 4.440 3.194 ( 13.256 -1.975 -6.244) 14.786 3.355 ( -3.869 -13.091 3.153) 14.011 3.405 ( -5.439 -2.101 5.741) 8.183 3.858 ( -5.342 5.975 4.083) 8.994 4.059 ( -0.676 0.157 8.542) 8.570 4.178 ( 1.607 8.200 -3.653) 9.120 4.733 ( -5.220 -4.889 1.428) 7.293 5.113 ( 2.869 0.025 1.036) 3.051 5.616 ( 1.523 -0.140 3.831) 4.125 5.743 ( -1.564 5.160 0.992) 5.483 5.840 ( -4.085 4.964 5.678) 8.577 7.064 ( 2.469 -5.408 -2.154) 6.323 7.182 ( -5.089 -7.861 2.265) 9.634 7.548 ( 3.356 -6.493 -0.920) 7.367 10.359 ( -1.553 1.463 2.753) 3.483 10.575 ( 0.001 -9.924 2.716) 10.289 10.911 ( -1.328 3.789 -4.042) 5.697 11.203 ( 2.873 2.101 -6.714) 7.599 11.840 ( -5.733 1.237 20.683) 21.499 12.705 ( 1.990 -2.333 -2.326) 3.848 13.051 ( -1.948 -5.407 -1.906) 6.055 13.790 ( 1.678 5.498 0.369) 5.760 14.688 ( 1.778 2.727 -2.823) 4.309 15.087 ( -3.840 1.917 8.474) 9.499 15.399 ( -0.265 -8.122 0.453) 8.139 16.574 ( -3.619 -3.696 -4.319) 6.739 17.650 ( 16.591 10.681 -1.175) 19.767 18.255 ( -13.166 -1.828 -8.934) 16.015 18.671 ( 1.657 -5.621 8.416) 10.256 19.518 ( 0.252 2.389 0.343) 2.427 ======================= Grid point 133 (57/251) ======================= q-point: (-0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 0.335 11.750 3.622) 12.300 1.635 ( 1.028 13.584 0.754) 13.643 1.880 ( -3.877 2.337 -0.813) 4.600 2.163 ( -0.338 0.601 -3.715) 3.779 2.554 ( 3.967 17.331 -7.491) 19.293 2.932 ( -2.498 -2.450 -4.326) 5.564 3.257 ( -2.859 5.867 9.968) 11.914 3.405 ( 10.145 -1.231 -1.536) 10.335 3.597 ( 0.300 0.358 5.792) 5.811 3.713 ( -5.514 -5.628 0.518) 7.896 4.048 ( -2.527 2.382 7.396) 8.171 4.092 ( 3.991 1.851 0.950) 4.500 4.754 ( -5.430 -0.330 -1.891) 5.759 5.164 ( 2.848 -4.680 -1.555) 5.695 5.587 ( -2.820 5.846 1.814) 6.739 5.724 ( 1.923 -1.387 1.550) 2.833 5.841 ( -0.305 -6.683 8.860) 11.102 7.159 ( 1.565 -2.672 -2.412) 3.926 7.274 ( -4.320 -5.115 2.373) 7.104 7.669 ( -0.233 -5.413 -6.041) 8.115 10.321 ( -0.404 2.302 3.041) 3.835 10.763 ( 0.301 -7.137 2.513) 7.572 10.796 ( -3.670 3.500 -7.083) 8.711 11.157 ( -0.802 1.436 -5.923) 6.148 11.843 ( -6.561 -0.705 24.482) 25.356 12.804 ( 4.044 -5.311 -3.396) 7.489 13.056 ( 3.269 5.840 -2.811) 7.259 13.752 ( -3.770 -3.485 3.812) 6.395 14.691 ( 6.762 0.283 1.099) 6.857 15.009 ( -3.916 3.487 4.162) 6.694 15.625 ( -1.674 -13.891 2.053) 14.142 16.632 ( 0.243 -5.274 -3.666) 6.428 17.529 ( 5.923 11.557 1.321) 13.054 18.197 ( -3.516 -2.705 -12.546) 13.307 18.813 ( 1.605 -4.730 8.340) 9.722 19.454 ( -1.312 3.706 -0.010) 3.931 ======================= Grid point 134 (58/251) ======================= q-point: (-0.10 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -0.494 16.805 3.185) 17.111 1.355 ( 4.703 18.020 0.546) 18.631 1.764 ( -4.339 7.308 -1.855) 8.700 2.050 ( 3.276 11.384 0.990) 11.887 2.269 ( 1.650 12.137 -1.304) 12.317 2.961 ( -2.593 -4.339 -3.667) 6.245 3.041 ( -4.963 10.515 8.509) 14.408 3.512 ( 4.188 0.182 5.782) 7.142 3.621 ( 6.656 -1.311 -0.858) 6.838 3.749 ( -6.157 0.833 6.990) 9.353 3.959 ( -4.477 6.098 4.805) 8.962 4.194 ( 5.329 -7.463 -0.457) 9.181 4.711 ( -3.918 -1.673 -1.385) 4.480 5.290 ( 2.262 -3.280 -5.435) 6.739 5.447 ( -0.871 3.246 1.851) 3.837 5.794 ( 3.403 -2.048 2.431) 4.657 6.056 ( 1.637 -11.008 10.252) 15.131 7.140 ( -2.044 4.730 -3.373) 6.158 7.322 ( -3.648 -2.604 1.963) 4.893 7.704 ( -5.704 -3.497 -14.405) 15.883 10.289 ( 1.018 2.165 3.033) 3.862 10.598 ( -9.295 6.442 -6.131) 12.864 10.946 ( 2.658 -6.683 0.301) 7.199 11.112 ( 0.060 0.461 -3.799) 3.828 11.914 ( -7.498 -5.463 27.294) 28.828 12.881 ( 4.380 12.546 0.275) 13.291 12.928 ( 3.451 -3.974 -3.746) 6.461 13.885 ( -3.028 -10.964 3.473) 11.893 14.788 ( 5.180 -3.580 7.865) 10.075 14.927 ( -1.833 2.966 1.177) 3.680 15.873 ( -4.694 -13.518 1.912) 14.437 16.763 ( 5.769 -6.734 -3.126) 9.402 17.324 ( -4.804 10.618 3.615) 12.202 18.222 ( 7.397 -1.830 -16.023) 17.743 18.905 ( -1.083 -2.069 6.293) 6.712 19.367 ( -1.487 3.753 0.327) 4.050 ======================= Grid point 138 (59/251) ======================= q-point: ( 0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 2.459 0.000 16.054) 16.241 1.034 ( 6.360 0.000 11.515) 13.155 1.749 ( -4.904 -0.000 10.092) 11.221 1.832 ( 11.127 0.000 3.011) 11.527 2.098 ( 29.146 0.000 7.813) 30.175 2.588 ( -9.757 -0.000 -0.600) 9.775 2.628 ( -9.809 -0.000 4.645) 10.854 3.073 ( -13.367 -0.000 4.666) 14.158 3.332 ( 3.994 0.000 -2.873) 4.920 3.636 ( -1.746 -0.000 -4.126) 4.480 4.392 ( 2.638 0.000 -9.901) 10.247 4.561 ( -12.427 -0.000 -2.830) 12.745 4.786 ( 5.914 0.000 -4.115) 7.205 5.518 ( -0.271 -0.000 15.297) 15.299 5.817 ( 11.648 0.000 -5.259) 12.781 6.052 ( -3.014 -0.000 4.627) 5.522 6.192 ( 11.838 0.000 10.084) 15.550 6.666 ( -1.064 -0.000 5.322) 5.428 7.011 ( -17.190 -0.000 -12.332) 21.156 7.214 ( -3.746 -0.000 -0.294) 3.757 10.224 ( -4.998 -0.000 5.781) 7.642 10.293 ( -1.371 -0.000 -1.453) 1.998 10.812 ( 6.600 0.000 -9.065) 11.213 11.653 ( 4.501 0.000 2.798) 5.299 12.289 ( -1.963 -0.000 9.805) 10.000 12.789 ( -4.556 -0.000 4.929) 6.712 12.950 ( -0.081 -0.000 -5.591) 5.591 14.226 ( -4.274 -0.000 -0.169) 4.277 14.632 ( -7.255 -0.000 8.224) 10.967 15.488 ( -8.997 -0.000 4.621) 10.114 15.661 ( -10.050 -0.000 -4.973) 11.213 16.195 ( -2.326 -0.000 3.026) 3.817 17.940 ( 17.054 0.000 1.289) 17.103 18.196 ( -0.409 -0.000 -3.806) 3.828 18.726 ( -8.247 -0.000 -0.124) 8.248 19.407 ( 5.051 0.000 -2.889) 5.819 ======================= Grid point 139 (60/251) ======================= q-point: ( 0.40 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 6.562 -6.456 8.312) 12.403 1.271 ( 0.648 -12.446 9.381) 15.599 1.791 ( -1.612 -4.890 8.084) 9.585 1.948 ( 10.391 -1.810 6.226) 12.248 2.321 ( 14.517 -0.589 5.331) 15.476 2.570 ( -1.458 -4.785 0.284) 5.010 2.708 ( -8.445 -11.309 3.689) 14.588 2.927 ( -13.089 3.263 5.046) 14.402 3.381 ( 5.430 -0.023 -3.012) 6.209 3.653 ( 2.126 -3.495 -2.014) 4.560 4.246 ( -4.878 8.533 -11.145) 14.860 4.491 ( -5.659 -0.664 0.075) 5.699 4.828 ( 3.549 -0.264 -0.766) 3.641 5.386 ( 3.330 12.538 10.200) 16.503 6.001 ( 1.087 0.158 3.774) 3.931 6.057 ( 2.227 -6.842 3.247) 7.894 6.376 ( 8.342 -6.839 5.627) 12.167 6.601 ( -1.947 6.560 3.418) 7.649 6.842 ( -15.936 -0.855 -12.898) 20.519 7.198 ( -2.499 -1.207 0.015) 2.775 10.208 ( -4.363 -0.073 3.153) 5.384 10.269 ( -1.563 -0.482 0.941) 1.887 10.880 ( 8.376 -3.122 -9.836) 13.291 11.601 ( 1.853 7.764 1.866) 8.197 12.361 ( -3.003 -4.609 10.353) 11.724 12.627 ( -4.169 11.529 3.678) 12.799 12.946 ( -1.045 -0.243 -5.403) 5.508 14.167 ( -2.372 2.900 -0.320) 3.760 14.612 ( -7.200 -2.096 8.641) 11.441 15.211 ( -4.820 11.571 -0.429) 12.542 15.845 ( -7.424 -13.525 -8.416) 17.575 16.167 ( -3.562 -0.148 6.633) 7.530 17.978 ( 14.373 7.590 -0.430) 16.259 18.238 ( 0.336 -3.697 -1.680) 4.075 18.639 ( -9.165 1.570 0.269) 9.303 19.450 ( 3.782 -1.449 -2.815) 4.933 ======================= Grid point 140 (61/251) ======================= q-point: ( 0.50 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 8.718 -10.549 1.271) 13.744 1.523 ( -2.295 -12.005 6.107) 13.664 1.905 ( 2.329 -3.469 4.835) 6.391 2.124 ( 5.961 -8.560 5.254) 11.679 2.433 ( 1.475 -1.864 2.827) 3.694 2.638 ( -0.714 2.599 -0.666) 2.777 2.735 ( -4.114 -6.042 5.734) 9.290 2.998 ( -9.863 -14.573 4.596) 18.187 3.381 ( 4.452 2.095 -4.906) 6.949 3.790 ( 6.518 -5.863 1.082) 8.833 4.032 ( -3.863 5.936 -6.258) 9.451 4.454 ( -3.294 1.156 -1.708) 3.887 4.825 ( -2.045 2.182 5.079) 5.894 5.225 ( 5.365 9.363 4.920) 11.860 5.918 ( -4.337 5.106 3.265) 7.453 6.199 ( 4.039 0.979 5.411) 6.823 6.413 ( -3.364 11.226 2.189) 11.922 6.576 ( -0.994 -9.999 0.666) 10.071 6.769 ( -5.539 -5.264 -8.426) 11.375 7.226 ( -0.020 -2.891 0.844) 3.012 10.181 ( -1.937 -0.412 1.592) 2.540 10.307 ( -2.014 -3.505 2.407) 4.705 10.995 ( 9.158 -3.805 -9.950) 14.048 11.449 ( 0.156 8.501 2.022) 8.740 12.250 ( -2.786 16.714 13.700) 21.790 12.552 ( -7.300 -8.776 -0.035) 11.415 12.896 ( -1.858 2.808 -4.624) 5.720 14.090 ( 1.659 4.102 -2.360) 5.015 14.652 ( -7.127 -5.145 9.403) 12.871 15.013 ( -1.803 6.187 -2.122) 6.785 15.829 ( -2.212 7.005 -6.233) 9.634 16.268 ( -6.826 -11.112 2.374) 13.256 17.951 ( 15.016 6.518 -1.576) 16.445 18.289 ( -0.679 -1.674 -1.391) 2.280 18.531 ( -9.205 1.592 1.867) 9.527 19.501 ( 2.071 -1.880 -2.145) 3.525 ======================= Grid point 141 (62/251) ======================= q-point: ( 0.60 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 7.064 -5.523 0.268) 8.971 1.720 ( -2.387 -8.861 3.268) 9.742 1.980 ( -0.591 -2.914 1.212) 3.211 2.243 ( -1.621 6.177 -0.726) 6.427 2.487 ( -3.105 -15.846 0.199) 16.148 2.708 ( 9.183 -3.713 1.517) 10.021 2.886 ( -1.989 -8.224 7.165) 11.088 3.160 ( -5.129 -7.362 1.079) 9.037 3.387 ( 2.892 -1.063 -4.908) 5.795 3.897 ( -3.702 -1.499 4.411) 5.951 3.988 ( 6.248 -2.604 -2.889) 7.359 4.366 ( -2.146 4.894 -2.432) 5.871 4.749 ( -6.835 3.070 7.489) 10.593 5.163 ( 6.600 3.688 3.055) 8.155 5.774 ( -3.806 6.733 1.242) 7.833 6.098 ( -4.551 8.591 -0.408) 9.730 6.159 ( -2.562 12.125 3.911) 12.995 6.781 ( -1.134 -11.697 2.060) 11.931 6.864 ( 1.944 -6.004 -2.852) 6.925 7.316 ( 2.284 -5.026 1.845) 5.821 10.231 ( -0.580 -5.430 3.259) 6.359 10.360 ( -0.630 -2.216 2.277) 3.239 11.072 ( 6.600 1.309 -8.747) 11.036 11.327 ( 1.825 4.508 -0.814) 4.931 11.975 ( -5.897 10.709 16.233) 20.321 12.685 ( -6.286 -10.580 -1.005) 12.347 12.791 ( -1.691 4.880 -2.884) 5.916 14.026 ( 4.477 4.627 -4.202) 7.689 14.700 ( -9.082 -3.369 4.870) 10.842 14.954 ( 1.916 -1.041 1.354) 2.566 15.611 ( -1.335 11.695 -0.924) 11.807 16.401 ( -4.300 -7.419 -4.517) 9.692 17.967 ( 16.617 5.698 -1.221) 17.609 18.247 ( -9.920 1.321 -3.006) 10.450 18.494 ( -1.839 -2.548 4.985) 5.893 19.536 ( 0.198 -1.213 -1.584) 2.005 ======================= Grid point 142 (63/251) ======================= q-point: (-0.30 -0.70 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 1.775 0.503 2.696) 3.267 1.828 ( -1.357 -3.338 1.888) 4.067 2.011 ( -8.917 -3.359 -3.958) 10.318 2.106 ( 6.822 6.360 -1.559) 9.456 2.775 ( 1.581 -8.343 -4.237) 9.490 2.869 ( 4.965 -8.494 -0.154) 9.840 3.040 ( -4.252 -9.094 7.276) 12.398 3.251 ( 6.370 -3.431 -2.123) 7.540 3.393 ( -0.187 1.099 -0.930) 1.451 3.896 ( -4.670 0.603 5.969) 7.603 4.070 ( 1.617 -1.136 2.399) 3.108 4.263 ( 0.281 2.852 -5.088) 5.840 4.661 ( -6.478 1.461 5.122) 8.386 5.181 ( 5.577 1.662 4.465) 7.335 5.638 ( -3.037 3.901 1.215) 5.091 5.864 ( -4.660 8.592 -2.342) 10.051 5.963 ( -2.832 8.557 6.023) 10.841 6.980 ( 4.658 -4.911 -2.008) 7.060 6.992 ( -2.018 -9.544 2.964) 10.196 7.450 ( 2.021 -5.939 1.779) 6.521 10.362 ( -0.804 -3.439 2.624) 4.400 10.415 ( 2.102 -5.830 4.843) 7.866 11.002 ( 1.674 6.177 -4.431) 7.784 11.267 ( 2.606 3.986 -7.372) 8.777 11.862 ( -7.494 1.577 19.164) 20.637 12.704 ( 0.512 1.922 -1.740) 2.642 12.848 ( -3.535 -10.961 -2.059) 11.700 13.935 ( 1.973 7.112 -3.584) 8.205 14.686 ( -3.565 -1.724 -1.552) 4.253 15.059 ( 0.199 -5.341 7.818) 9.470 15.400 ( -0.310 8.218 0.326) 8.230 16.472 ( -0.395 -4.366 -6.343) 7.710 17.924 ( 1.521 8.496 -0.308) 8.636 18.144 ( -0.620 0.656 -6.092) 6.158 18.602 ( 2.410 -5.651 7.769) 9.904 19.535 ( -1.784 0.299 -1.261) 2.205 ======================= Grid point 143 (64/251) ======================= q-point: (-0.20 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -1.199 5.345 3.964) 6.761 1.840 ( 0.748 2.843 2.465) 3.836 1.904 ( -3.026 5.305 -3.436) 7.007 2.131 ( 5.513 -1.571 -5.494) 7.940 2.842 ( -3.706 -3.112 -3.297) 5.855 2.858 ( 3.285 11.532 -6.520) 13.649 3.291 ( -3.682 -12.896 0.060) 13.412 3.365 ( -0.616 0.564 6.728) 6.780 3.430 ( 10.745 -8.808 2.593) 14.134 3.790 ( -4.428 7.077 2.635) 8.754 4.074 ( -2.846 1.160 5.522) 6.320 4.201 ( 3.080 4.374 -2.722) 6.002 4.663 ( -3.206 -3.828 1.059) 5.104 5.181 ( 3.539 2.836 3.433) 5.688 5.587 ( -7.522 -1.062 3.241) 8.259 5.758 ( 3.274 1.265 -0.268) 3.520 5.823 ( -2.348 4.148 6.493) 8.055 7.081 ( -0.062 -4.565 -1.993) 4.982 7.153 ( 1.294 -6.240 1.504) 6.548 7.557 ( -1.666 -4.326 -0.678) 4.685 10.369 ( 0.432 1.391 3.180) 3.498 10.615 ( 2.329 -9.309 4.524) 10.609 10.867 ( -0.692 6.883 -5.253) 8.686 11.175 ( -0.608 3.547 -8.025) 8.795 11.846 ( -7.957 -0.022 20.681) 22.158 12.731 ( 2.076 -3.646 -1.600) 4.491 13.022 ( 0.500 -8.308 -2.713) 8.754 13.779 ( -2.635 6.908 -0.507) 7.411 14.723 ( 3.481 -2.381 -1.998) 4.667 15.086 ( -2.488 4.923 9.780) 11.228 15.391 ( -0.576 -8.076 -0.537) 8.114 16.550 ( 4.046 -4.353 -4.972) 7.748 17.699 ( -12.912 8.325 -0.032) 15.363 18.166 ( 11.034 0.579 -8.668) 14.043 18.760 ( 2.942 -5.334 8.915) 10.797 19.488 ( -3.394 1.977 -1.029) 4.061 ======================= Grid point 144 (65/251) ======================= q-point: (-0.10 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -1.781 11.720 2.223) 12.061 1.700 ( 5.549 12.766 1.851) 14.042 1.830 ( -0.427 2.644 -1.265) 2.962 2.170 ( 4.156 0.655 -5.318) 6.781 2.561 ( 1.634 16.717 -6.613) 18.052 2.863 ( -2.671 -2.715 -4.604) 5.975 3.220 ( -6.008 9.499 8.335) 13.992 3.494 ( -3.531 -7.503 1.056) 8.360 3.658 ( 1.505 3.753 5.458) 6.793 3.727 ( 8.470 -7.197 3.052) 11.527 3.996 ( -6.594 3.182 1.490) 7.472 4.184 ( 6.472 0.622 2.641) 7.018 4.656 ( -4.840 0.947 -1.619) 5.191 5.238 ( 5.545 -4.357 -0.255) 7.057 5.496 ( -7.562 3.758 3.910) 9.306 5.801 ( 4.906 -1.125 1.572) 5.273 5.895 ( 0.233 -8.793 9.035) 12.610 7.130 ( -3.377 -2.007 -1.657) 4.264 7.251 ( 0.588 -2.919 -0.465) 3.013 7.567 ( -7.403 -1.506 -6.564) 10.008 10.351 ( 1.275 2.030 3.456) 4.206 10.665 ( -5.281 7.592 -5.408) 10.713 10.837 ( 5.155 -7.263 0.666) 8.932 11.096 ( -1.858 1.085 -6.579) 6.922 11.857 ( -7.776 -1.917 22.308) 23.702 12.836 ( 1.527 -5.693 -2.202) 6.292 13.087 ( 1.760 3.818 -1.399) 4.431 13.712 ( -2.603 -3.970 2.127) 5.202 14.805 ( 5.154 -2.055 2.549) 6.106 14.978 ( -3.073 4.895 5.483) 7.967 15.587 ( -3.643 -12.565 0.710) 13.102 16.689 ( 8.351 -6.133 -3.150) 10.829 17.431 ( -14.317 7.851 1.171) 16.370 18.236 ( 12.390 -0.601 -11.098) 16.645 18.876 ( -0.130 -2.518 7.450) 7.865 19.412 ( -2.746 2.616 -0.064) 3.793 ======================= Grid point 149 (66/251) ======================= q-point: ( 0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -3.721 -0.000 13.394) 13.902 1.192 ( 6.087 0.000 8.075) 10.112 1.701 ( -7.507 -0.000 10.419) 12.842 2.065 ( 14.256 0.000 3.771) 14.746 2.447 ( -7.200 -0.000 0.030) 7.200 2.450 ( 0.934 0.000 10.520) 10.562 2.600 ( 8.213 0.000 2.701) 8.646 2.880 ( -13.806 -0.000 6.291) 15.171 3.469 ( 16.587 0.000 -4.995) 17.322 3.617 ( 1.345 0.000 -0.928) 1.634 4.202 ( -15.477 -0.000 -10.061) 18.459 4.464 ( -0.970 -0.000 -0.397) 1.048 4.855 ( 4.725 0.000 -2.661) 5.422 5.597 ( -2.570 -0.000 20.322) 20.484 5.936 ( 6.261 0.000 -6.176) 8.794 6.034 ( -2.191 -0.000 4.178) 4.718 6.434 ( 11.711 0.000 6.269) 13.283 6.656 ( -2.523 -0.000 1.291) 2.834 6.657 ( -16.331 -0.000 -13.582) 21.241 7.170 ( -1.278 -0.000 0.959) 1.598 10.172 ( -4.639 -0.000 6.233) 7.770 10.272 ( -0.155 -0.000 -1.291) 1.300 10.887 ( 8.635 0.000 -10.755) 13.793 11.699 ( 0.506 0.000 -0.816) 0.960 12.275 ( -6.054 -0.000 7.861) 9.923 12.766 ( -1.653 -0.000 5.981) 6.205 12.914 ( -0.124 -0.000 -7.234) 7.235 14.170 ( -2.656 -0.000 1.287) 2.951 14.555 ( -7.245 -0.000 7.255) 10.253 15.394 ( -4.380 -0.000 -1.297) 4.568 15.494 ( -5.822 -0.000 -7.061) 9.152 16.186 ( -0.823 -0.000 2.357) 2.497 18.162 ( -1.478 -0.000 -0.854) 1.707 18.198 ( 13.387 0.000 1.215) 13.442 18.579 ( -9.341 -0.000 -0.225) 9.344 19.452 ( 2.850 0.000 -4.215) 5.088 ======================= Grid point 150 (67/251) ======================= q-point: ( 0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -1.786 -10.704 8.407) 13.728 1.339 ( 2.571 -7.618 5.934) 9.993 1.751 ( -7.355 -8.149 8.752) 14.040 2.164 ( 9.026 1.676 3.423) 9.798 2.416 ( -1.156 -2.543 4.888) 5.630 2.562 ( -7.918 -7.805 5.014) 12.197 2.688 ( 4.221 -0.796 4.351) 6.114 2.780 ( -6.934 -1.276 5.929) 9.212 3.502 ( 10.622 5.586 -3.981) 12.645 3.750 ( 11.143 -5.978 -1.019) 12.687 4.022 ( -13.858 2.017 -6.513) 15.445 4.446 ( -1.029 0.913 -0.372) 1.425 4.872 ( 2.132 1.445 -0.250) 2.588 5.475 ( -0.372 11.481 11.744) 16.427 5.981 ( -3.417 3.752 2.801) 5.797 6.111 ( 0.221 -10.147 1.464) 10.254 6.465 ( -8.277 -1.014 -8.432) 11.859 6.566 ( -2.632 6.399 0.042) 6.920 6.632 ( 5.730 -5.083 -0.343) 7.668 7.189 ( 1.023 -1.661 2.039) 2.822 10.176 ( -1.860 -0.863 4.959) 5.366 10.257 ( -0.209 0.066 0.260) 0.339 10.961 ( 7.907 -3.581 -10.421) 13.563 11.608 ( -1.357 7.531 -0.648) 7.680 12.317 ( -6.684 -6.906 4.321) 10.538 12.616 ( -1.279 15.024 7.781) 16.968 12.894 ( -0.863 0.128 -7.463) 7.514 14.145 ( -0.023 1.595 0.363) 1.636 14.543 ( -6.691 -2.673 7.336) 10.283 15.144 ( -2.085 10.186 -3.399) 10.939 15.703 ( -3.181 -13.806 -10.602) 17.695 16.161 ( -1.514 1.539 5.026) 5.470 18.123 ( 4.331 2.749 -1.314) 5.295 18.291 ( 4.647 0.489 0.701) 4.725 18.496 ( -6.868 1.179 1.155) 7.064 19.471 ( 1.314 -1.366 -4.344) 4.740 ======================= Grid point 151 (68/251) ======================= q-point: (-0.40 -0.60 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 1.816 -13.832 2.241) 14.130 1.513 ( -2.322 -8.688 4.101) 9.884 1.877 ( -6.749 -6.266 2.838) 9.637 2.210 ( -6.290 -6.877 2.766) 9.722 2.407 ( 4.281 6.812 1.169) 8.130 2.629 ( -0.026 -8.363 6.694) 10.713 2.808 ( -0.129 -2.349 4.782) 5.330 2.909 ( -1.496 -13.433 6.449) 14.975 3.469 ( 9.064 4.625 -3.831) 10.873 3.842 ( -6.990 -1.013 0.146) 7.065 3.984 ( 7.665 -2.818 -4.225) 9.195 4.406 ( -2.362 2.088 0.425) 3.181 4.815 ( -1.960 5.073 3.974) 6.736 5.313 ( 1.480 7.404 6.060) 9.681 5.864 ( -3.307 5.547 0.441) 6.473 6.140 ( -9.904 2.532 -4.794) 11.291 6.367 ( -4.173 10.528 0.228) 11.327 6.552 ( 0.352 -12.136 1.146) 12.195 6.801 ( 8.746 -4.985 0.739) 10.094 7.262 ( 3.074 -3.395 3.075) 5.517 10.187 ( 1.008 -0.561 2.858) 3.082 10.305 ( 0.196 -3.841 3.248) 5.034 11.075 ( 7.035 -4.070 -9.729) 12.677 11.440 ( -2.132 7.543 0.795) 7.879 12.272 ( -4.397 18.888 14.666) 24.315 12.438 ( -5.048 -9.387 -3.526) 11.226 12.845 ( -0.515 2.501 -6.143) 6.653 14.113 ( 3.012 2.697 -2.593) 4.803 14.570 ( -8.394 -3.610 6.708) 11.335 14.994 ( 0.947 3.851 -2.286) 4.578 15.767 ( 0.313 3.555 -8.668) 9.374 16.206 ( -2.383 -7.277 1.340) 7.773 18.130 ( 4.783 1.844 -1.086) 5.240 18.235 ( -3.844 3.429 -1.025) 5.252 18.474 ( 2.091 -0.217 4.011) 4.528 19.494 ( -0.766 -1.792 -3.928) 4.385 ======================= Grid point 152 (69/251) ======================= q-point: (-0.30 -0.60 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -2.983 -4.303 3.446) 6.268 1.694 ( -1.211 -10.250 0.540) 10.335 1.866 ( -9.534 -2.544 -2.551) 10.192 2.260 ( 1.943 1.301 -0.653) 2.428 2.505 ( 5.023 -12.512 -0.380) 13.488 2.791 ( -1.286 -3.464 1.645) 4.044 2.882 ( -3.037 -8.066 9.316) 12.691 3.161 ( 2.564 -9.863 4.993) 11.348 3.457 ( 8.460 3.049 -4.255) 9.948 3.841 ( -6.206 -3.993 4.948) 8.885 4.056 ( 4.148 -0.588 -5.592) 6.988 4.324 ( -2.756 4.226 0.217) 5.050 4.702 ( -2.604 5.199 6.376) 8.629 5.258 ( 1.845 1.962 5.544) 6.163 5.731 ( -0.870 6.483 -1.596) 6.733 5.939 ( -10.158 6.477 -6.519) 13.698 6.133 ( -4.142 10.174 3.108) 11.416 6.805 ( 1.512 -11.018 3.937) 11.797 6.956 ( 9.243 -3.528 0.735) 9.921 7.375 ( 2.950 -4.467 3.449) 6.368 10.260 ( 1.177 -5.088 3.587) 6.335 10.394 ( 2.921 -2.887 4.548) 6.128 11.117 ( 4.519 3.483 -7.587) 9.493 11.325 ( -0.651 2.811 -2.960) 4.134 11.957 ( -8.497 11.479 18.587) 23.440 12.598 ( -2.059 -11.424 -4.665) 12.510 12.765 ( 0.880 3.902 -3.866) 5.563 14.057 ( 2.048 5.273 -4.116) 6.996 14.577 ( -7.809 -3.771 2.041) 8.909 15.001 ( 2.357 -2.597 1.758) 3.923 15.606 ( 1.473 10.766 -0.732) 10.891 16.345 ( 1.369 -7.564 -6.457) 10.039 17.971 ( -15.727 6.559 -1.425) 17.099 18.258 ( 14.360 1.909 -1.896) 14.610 18.550 ( 3.698 -3.861 6.842) 8.683 19.498 ( -3.039 -1.194 -3.361) 4.686 ======================= Grid point 153 (70/251) ======================= q-point: (-0.20 -0.60 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -6.835 -0.879 4.444) 8.200 1.823 ( 0.390 -3.746 0.194) 3.772 1.872 ( -4.358 -3.915 -3.950) 7.066 2.248 ( 10.473 4.732 -3.015) 11.882 2.723 ( -5.446 -5.168 -3.194) 8.159 2.887 ( -1.063 -11.755 -1.765) 11.934 3.025 ( -1.026 -5.038 3.798) 6.392 3.352 ( 3.364 -6.069 6.185) 9.295 3.462 ( 7.872 2.109 -0.157) 8.152 3.848 ( -4.307 1.944 4.542) 6.554 4.075 ( -1.574 -1.353 -1.603) 2.622 4.236 ( -1.484 1.328 -3.440) 3.975 4.635 ( 0.094 1.983 6.088) 6.403 5.277 ( 2.380 0.640 6.828) 7.259 5.566 ( -6.567 6.958 -0.447) 9.578 5.786 ( -1.574 1.271 -4.916) 5.316 5.939 ( -3.654 7.768 5.045) 9.957 6.984 ( 0.061 -5.869 2.255) 6.288 7.100 ( 9.250 -3.498 0.551) 9.905 7.477 ( -0.264 -3.470 2.597) 4.342 10.368 ( -0.363 -3.225 2.611) 4.165 10.514 ( 5.488 -5.241 6.581) 10.044 11.004 ( 1.672 7.884 -4.002) 8.998 11.237 ( -0.191 5.084 -9.179) 10.494 11.828 ( -10.626 0.843 21.791) 24.258 12.711 ( 1.264 0.644 -2.132) 2.560 12.817 ( 2.418 -11.838 -4.932) 13.050 13.907 ( -2.674 8.566 -2.509) 9.318 14.634 ( -1.817 -6.284 -2.047) 6.854 15.102 ( -0.021 -4.453 6.197) 7.631 15.420 ( 2.251 9.306 1.246) 9.655 16.483 ( 6.469 -5.875 -6.981) 11.184 17.689 ( -19.185 6.742 -2.456) 20.483 18.312 ( 14.206 3.810 -3.251) 15.063 18.706 ( 4.255 -5.813 8.600) 11.219 19.469 ( -4.691 0.054 -2.637) 5.381 ======================= Grid point 154 (71/251) ======================= q-point: (-0.10 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -4.458 3.728 2.165) 6.202 1.856 ( 0.630 0.859 -1.588) 1.912 1.882 ( 0.715 0.787 1.822) 2.109 2.238 ( 11.169 3.853 -5.916) 13.213 2.700 ( -9.625 -0.446 -2.032) 9.848 2.894 ( 4.345 8.086 -7.978) 12.162 3.221 ( -3.262 -13.749 -4.566) 14.850 3.377 ( -1.965 6.471 7.273) 9.931 3.602 ( 2.744 -9.125 9.720) 13.612 3.770 ( 1.189 2.990 2.292) 3.951 4.028 ( -3.775 3.641 -0.165) 5.247 4.239 ( 2.994 -1.290 -2.873) 4.346 4.654 ( 0.197 0.247 4.188) 4.200 5.254 ( 2.268 3.405 2.270) 4.679 5.463 ( -8.530 -1.423 4.865) 9.923 5.799 ( -0.346 -2.961 2.800) 4.090 5.839 ( 1.579 1.610 2.506) 3.372 7.056 ( -1.484 -2.408 0.085) 2.830 7.224 ( 6.417 -2.298 -0.961) 6.883 7.493 ( -5.545 0.070 -0.141) 5.547 10.395 ( 0.192 0.505 3.023) 3.071 10.673 ( 0.020 -3.793 3.502) 5.163 10.859 ( 4.419 5.806 -3.372) 8.038 11.109 ( -1.204 4.085 -8.828) 9.802 11.821 ( -9.273 -1.465 21.363) 23.335 12.742 ( 0.188 -3.553 -1.263) 3.776 13.041 ( 3.798 -8.480 -3.983) 10.109 13.722 ( -3.490 5.997 0.397) 6.950 14.753 ( 1.512 -6.305 -3.089) 7.182 15.112 ( -2.048 6.342 11.123) 12.967 15.379 ( 0.083 -5.162 -1.570) 5.396 16.645 ( 10.175 -5.543 -3.944) 12.239 17.415 ( -17.184 4.993 -2.697) 18.096 18.338 ( 11.771 2.998 -5.029) 13.146 18.844 ( 0.462 -3.202 7.229) 7.920 19.418 ( -3.286 0.682 -0.976) 3.495 ======================= Grid point 160 (72/251) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -7.478 -0.000 11.039) 13.334 1.311 ( 2.711 0.000 6.947) 7.457 1.625 ( -8.702 -0.000 10.468) 13.613 2.263 ( -0.689 -0.000 2.294) 2.395 2.370 ( 2.415 0.000 4.311) 4.941 2.442 ( -4.254 -0.000 6.295) 7.597 2.718 ( 0.062 0.000 8.560) 8.561 2.743 ( -4.442 -0.000 4.034) 6.001 3.671 ( 4.329 0.000 3.342) 5.469 3.778 ( 20.850 0.000 -8.965) 22.696 3.888 ( -14.945 -0.000 -3.114) 15.266 4.459 ( 1.017 0.000 0.193) 1.035 4.905 ( 2.541 0.000 -0.940) 2.710 5.656 ( -4.056 -0.000 19.278) 19.700 5.936 ( -1.513 -0.000 -8.572) 8.704 6.032 ( -1.146 -0.000 4.820) 4.954 6.301 ( -14.728 -0.000 -14.037) 20.346 6.597 ( -4.367 -0.000 -2.147) 4.866 6.678 ( 12.449 0.000 2.273) 12.655 7.198 ( 3.347 0.000 3.538) 4.870 10.164 ( -0.644 -0.000 7.336) 7.364 10.275 ( 1.332 0.000 -0.718) 1.514 10.947 ( 5.899 0.000 -11.040) 12.518 11.663 ( -3.091 -0.000 -4.366) 5.350 12.200 ( -5.998 -0.000 2.955) 6.686 12.799 ( -0.339 -0.000 10.482) 10.488 12.863 ( -0.157 -0.000 -9.605) 9.606 14.166 ( 0.937 0.000 2.628) 2.790 14.487 ( -5.307 -0.000 5.363) 7.545 15.319 ( -2.908 -0.000 -5.175) 5.936 15.401 ( -0.038 -0.000 -8.830) 8.830 16.191 ( -0.168 -0.000 2.028) 2.035 18.152 ( 0.723 0.000 0.336) 0.797 18.317 ( -4.094 -0.000 -2.005) 4.559 18.494 ( 3.587 0.000 2.725) 4.505 19.452 ( 0.558 0.000 -5.477) 5.505 ======================= Grid point 161 (73/251) ======================= q-point: (-0.40 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -5.642 -13.746 7.403) 16.601 1.385 ( -2.687 -4.880 5.643) 7.930 1.675 ( -6.471 -8.087 7.452) 12.760 2.136 ( -13.683 4.577 2.071) 14.576 2.435 ( -0.592 -4.786 5.159) 7.062 2.555 ( 3.749 -5.460 3.032) 7.284 2.738 ( 1.981 -1.089 3.919) 4.524 2.785 ( -0.349 -4.620 11.129) 12.055 3.649 ( 7.479 5.817 2.940) 9.921 3.732 ( -13.073 -0.700 -3.063) 13.445 3.998 ( 15.028 -3.510 -6.541) 16.761 4.447 ( 1.126 3.014 2.180) 3.886 4.896 ( 0.741 2.636 1.338) 3.047 5.509 ( -2.264 10.977 9.067) 14.416 5.905 ( -7.042 1.943 -6.300) 9.646 6.055 ( -5.920 -1.216 0.344) 6.053 6.279 ( -5.614 -11.780 -5.524) 14.170 6.500 ( -4.031 4.775 -1.370) 6.397 6.812 ( 11.641 -2.973 0.790) 12.041 7.261 ( 5.507 -1.470 4.604) 7.327 10.212 ( 2.320 -1.024 6.180) 6.680 10.269 ( 1.292 0.194 1.193) 1.769 11.004 ( 4.203 -4.466 -9.524) 11.327 11.553 ( -3.862 5.999 -3.377) 7.894 12.230 ( -4.053 -6.505 -1.593) 7.828 12.651 ( -2.332 16.879 13.173) 21.538 12.842 ( 0.797 -0.232 -9.376) 9.413 14.175 ( 3.254 1.487 0.991) 3.712 14.480 ( -5.423 -1.656 5.380) 7.816 15.103 ( -0.238 8.418 -5.033) 9.811 15.626 ( 1.738 -13.482 -12.143) 18.227 16.170 ( -0.481 1.896 3.799) 4.273 18.159 ( -2.241 1.533 0.227) 2.725 18.235 ( -4.981 0.084 -1.863) 5.319 18.544 ( 7.855 1.171 3.304) 8.602 19.445 ( -1.005 -0.932 -5.714) 5.876 ======================= Grid point 162 (74/251) ======================= q-point: (-0.30 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -2.930 -16.689 2.234) 17.091 1.464 ( -7.678 -6.245 4.782) 10.992 1.746 ( -9.195 -1.741 -0.660) 9.381 2.060 ( -9.041 -10.129 3.030) 13.911 2.519 ( 3.287 -1.254 0.845) 3.618 2.699 ( 1.061 -5.825 4.482) 7.425 2.781 ( 0.993 -2.104 6.759) 7.148 2.990 ( 2.342 -10.867 8.227) 13.829 3.613 ( 8.132 5.336 2.155) 9.962 3.682 ( -9.701 -4.680 0.648) 10.791 4.100 ( 7.970 0.994 -7.846) 11.228 4.369 ( -4.034 4.162 2.628) 6.364 4.829 ( 1.041 5.687 5.553) 8.016 5.351 ( -0.318 6.091 5.521) 8.227 5.793 ( -4.318 1.589 -8.606) 9.759 5.942 ( -8.553 5.256 -3.439) 10.612 6.268 ( -6.482 7.122 -2.121) 9.861 6.605 ( 3.066 -13.334 4.932) 14.544 6.975 ( 11.006 -3.965 0.961) 11.738 7.359 ( 6.019 -2.104 4.660) 7.897 10.231 ( 2.127 -0.219 2.035) 2.952 10.362 ( 3.807 -4.643 6.275) 8.684 11.109 ( 3.446 -4.760 -8.002) 9.928 11.394 ( -3.293 6.249 -0.812) 7.110 12.268 ( -7.486 21.088 17.596) 28.467 12.360 ( -0.606 -10.193 -7.092) 12.432 12.819 ( 2.278 1.694 -7.364) 7.893 14.157 ( 3.649 3.873 -2.054) 5.704 14.469 ( -7.147 -1.429 3.957) 8.294 15.006 ( 1.620 1.370 -2.384) 3.191 15.755 ( 4.473 1.175 -8.386) 9.577 16.200 ( 1.356 -5.729 -0.567) 5.914 17.971 ( -15.759 7.044 -0.808) 17.280 18.329 ( 9.764 -4.533 -0.718) 10.789 18.590 ( 7.152 1.376 5.024) 8.848 19.433 ( -3.362 -1.230 -5.388) 6.469 ======================= Grid point 163 (75/251) ======================= q-point: (-0.20 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -11.304 -4.739 3.969) 12.884 1.677 ( -4.217 -10.217 1.084) 11.106 1.742 ( -1.558 -5.989 -2.921) 6.843 2.264 ( -0.343 -10.781 -1.558) 10.898 2.571 ( -0.706 -3.361 -2.136) 4.044 2.739 ( -0.331 -1.362 2.014) 2.454 2.931 ( 1.740 -6.515 7.354) 9.977 3.236 ( 1.664 -10.515 5.880) 12.162 3.588 ( 7.745 4.303 1.012) 8.917 3.759 ( -6.858 -8.365 5.770) 12.260 4.057 ( 1.403 3.782 -8.052) 9.006 4.257 ( -5.976 3.624 0.198) 6.992 4.749 ( 2.628 5.627 7.586) 9.804 5.301 ( 0.433 0.884 5.585) 5.671 5.708 ( -5.000 10.591 -2.921) 12.071 5.745 ( -3.582 -1.006 -8.941) 9.684 6.068 ( -5.382 8.029 2.581) 10.004 6.869 ( 3.587 -8.929 4.125) 10.469 7.140 ( 11.642 -3.037 1.665) 12.146 7.447 ( 3.393 -1.400 3.845) 5.316 10.294 ( 0.712 -3.969 2.402) 4.694 10.505 ( 6.205 -3.912 6.952) 10.107 11.137 ( 3.009 3.691 -6.477) 8.039 11.278 ( -2.498 2.828 -4.232) 5.670 11.909 ( -11.545 12.101 22.801) 28.278 12.571 ( 3.045 -12.623 -7.908) 15.204 12.776 ( 3.324 2.903 -4.860) 6.565 14.045 ( -1.394 8.267 -1.927) 8.602 14.487 ( -3.573 -5.258 -0.324) 6.366 15.040 ( 1.289 -3.091 0.927) 3.475 15.652 ( 4.012 10.168 0.769) 10.958 16.379 ( 7.985 -8.951 -7.602) 14.201 17.671 ( -19.162 8.436 -1.886) 21.021 18.470 ( 12.299 0.790 -2.289) 12.535 18.670 ( 5.135 -3.459 8.415) 10.448 19.406 ( -5.214 -1.089 -4.462) 6.948 ======================= Grid point 164 (76/251) ======================= q-point: (-0.10 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -6.794 -3.792 2.578) 8.197 1.794 ( -3.463 -6.953 -2.128) 8.054 1.849 ( 1.646 -3.176 1.317) 3.811 2.388 ( 8.725 0.240 -4.154) 9.666 2.575 ( -10.321 -2.431 -1.360) 10.690 2.873 ( 2.756 -10.325 -5.059) 11.823 3.031 ( 0.194 -1.897 -0.613) 2.003 3.424 ( 0.246 -5.558 7.568) 9.393 3.582 ( 3.695 2.877 5.552) 7.263 3.822 ( -1.702 1.222 4.493) 4.958 4.021 ( -2.137 -2.643 -3.480) 4.864 4.159 ( -5.405 -1.013 -3.908) 6.747 4.717 ( 4.091 2.646 7.324) 8.796 5.350 ( 2.359 -2.004 6.724) 7.402 5.429 ( -8.372 9.686 -2.584) 13.061 5.752 ( -0.188 -1.793 -3.869) 4.269 5.908 ( -3.304 5.147 4.038) 7.329 7.014 ( 1.871 -3.057 2.371) 4.297 7.274 ( 11.103 -0.540 0.544) 11.129 7.472 ( -1.792 0.769 2.564) 3.221 10.374 ( -0.881 -3.031 2.447) 3.994 10.639 ( 4.652 -2.757 5.419) 7.656 11.020 ( 2.428 7.891 -1.336) 8.364 11.168 ( -0.925 4.869 -10.892) 11.966 11.779 ( -10.981 0.123 24.983) 27.290 12.716 ( 1.657 0.222 -3.970) 4.308 12.865 ( 6.564 -11.624 -5.795) 14.553 13.843 ( -3.830 9.144 0.338) 9.919 14.598 ( -0.897 -8.080 -3.214) 8.742 15.120 ( -1.555 -3.747 4.264) 5.885 15.481 ( 3.635 10.581 2.584) 11.483 16.606 ( 12.869 -7.352 -5.765) 15.903 17.362 ( -18.106 6.044 -3.616) 19.428 18.492 ( 9.598 4.434 -1.971) 10.755 18.801 ( 0.299 -3.518 6.598) 7.483 19.380 ( -3.209 -1.381 -2.121) 4.087 ======================= Grid point 171 (77/251) ======================= q-point: (-0.40 -0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -9.521 -0.000 9.732) 13.615 1.304 ( -10.517 -0.000 7.988) 13.207 1.582 ( -1.645 -0.000 9.130) 9.277 2.091 ( -15.679 -0.000 3.729) 16.116 2.343 ( -13.245 -0.000 2.535) 13.485 2.521 ( 7.674 0.000 4.694) 8.996 2.761 ( -0.830 -0.000 15.661) 15.683 2.803 ( 8.847 0.000 0.195) 8.849 3.601 ( -13.542 -0.000 -0.201) 13.543 3.788 ( 6.171 0.000 6.912) 9.266 4.059 ( 13.417 0.000 -10.110) 16.799 4.543 ( 9.337 0.000 2.763) 9.737 4.927 ( 0.182 0.000 1.070) 1.085 5.688 ( -3.417 -0.000 14.704) 15.096 5.784 ( -9.209 -0.000 -13.284) 16.164 6.019 ( -10.790 -0.000 -11.571) 15.821 6.037 ( -2.121 -0.000 3.940) 4.475 6.499 ( -5.445 -0.000 -2.900) 6.169 6.877 ( 11.420 0.000 -1.187) 11.482 7.316 ( 7.657 0.000 5.642) 9.511 10.236 ( 3.642 0.000 8.892) 9.609 10.308 ( 2.794 0.000 0.558) 2.849 10.950 ( 1.774 0.000 -9.669) 9.831 11.554 ( -6.155 -0.000 -7.320) 9.563 12.139 ( -1.591 -0.000 -1.651) 2.293 12.816 ( 2.043 0.000 -10.761) 10.953 12.866 ( -0.784 -0.000 16.518) 16.536 14.227 ( 4.242 0.000 3.430) 5.455 14.447 ( -2.540 -0.000 3.455) 4.289 15.235 ( -3.062 -0.000 -7.863) 8.438 15.393 ( 5.577 0.000 -9.947) 11.404 16.203 ( 0.354 0.000 1.746) 1.782 18.139 ( -13.012 -0.000 -1.850) 13.143 18.193 ( 3.932 0.000 0.473) 3.960 18.631 ( 8.201 0.000 2.523) 8.581 19.411 ( -1.369 -0.000 -6.594) 6.735 ======================= Grid point 172 (78/251) ======================= q-point: (-0.30 -0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -7.265 -16.279 6.541) 18.989 1.274 ( -14.681 -5.552 7.017) 17.193 1.652 ( -1.801 -3.075 4.964) 6.111 1.893 ( -15.394 2.292 4.259) 16.136 2.354 ( -14.353 -10.303 4.226) 18.166 2.638 ( 4.736 -3.923 4.745) 7.767 2.845 ( 4.196 -0.951 8.116) 9.186 2.888 ( 8.352 -2.948 6.102) 10.755 3.523 ( -10.302 -2.175 2.137) 10.744 3.805 ( 7.514 5.056 4.970) 10.331 4.137 ( 6.979 -1.464 -8.066) 10.766 4.501 ( 2.211 10.860 1.352) 11.165 4.930 ( 2.142 1.439 3.981) 4.745 5.515 ( -1.824 10.056 5.410) 11.563 5.688 ( -10.082 -1.614 -13.206) 16.693 5.975 ( -4.543 2.823 -1.167) 5.474 6.176 ( -4.996 -13.090 -4.507) 14.718 6.446 ( -2.460 -2.347 2.812) 4.413 6.991 ( 10.435 -2.977 -1.275) 10.926 7.409 ( 8.736 -0.820 5.358) 10.281 10.290 ( 3.034 3.204 1.334) 4.610 10.336 ( 4.897 -3.335 8.630) 10.468 10.998 ( 1.220 -5.762 -6.831) 9.020 11.447 ( -5.900 3.131 -5.936) 8.936 12.183 ( 0.742 -5.749 -5.488) 7.982 12.675 ( -4.974 19.063 16.615) 25.772 12.837 ( 4.456 0.610 -6.765) 8.124 14.253 ( 4.955 2.428 1.520) 5.723 14.433 ( -3.076 0.706 3.424) 4.657 15.066 ( -0.816 5.886 -6.248) 8.622 15.633 ( 8.005 -13.844 -12.198) 20.113 16.189 ( 0.588 1.673 2.728) 3.254 17.965 ( -15.413 5.470 -1.094) 16.392 18.291 ( 7.141 -5.394 -0.140) 8.950 18.692 ( 7.544 1.065 3.012) 8.192 19.377 ( -2.943 -0.108 -6.780) 7.392 ======================= Grid point 173 (79/251) ======================= q-point: (-0.20 -0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -13.660 -7.458 2.440) 15.754 1.377 ( -7.848 -16.391 4.580) 18.742 1.614 ( -5.646 -3.038 0.711) 6.451 1.984 ( -3.143 -13.254 3.020) 13.952 2.437 ( -13.571 -7.750 2.723) 15.863 2.755 ( 4.726 -2.559 4.588) 7.066 2.913 ( 6.796 -0.789 3.920) 7.885 3.061 ( 2.320 -7.801 5.855) 10.026 3.548 ( -7.324 -6.974 5.836) 11.676 3.763 ( 6.992 6.181 2.405) 9.638 4.147 ( 3.873 3.947 -7.290) 9.150 4.284 ( -7.752 6.320 1.680) 10.142 4.893 ( 1.064 5.099 5.387) 7.493 5.378 ( 0.651 5.158 4.078) 6.608 5.645 ( -4.629 -2.717 -9.562) 10.965 5.831 ( -4.370 6.903 -4.779) 9.465 6.155 ( -5.688 4.820 -1.173) 7.547 6.699 ( 5.193 -14.659 4.804) 16.276 7.149 ( 9.651 -4.966 0.218) 10.855 7.503 ( 8.530 0.259 3.851) 9.363 10.268 ( 1.277 0.275 1.259) 1.814 10.493 ( 6.693 -4.852 8.510) 11.864 11.108 ( 1.445 -5.052 -5.424) 7.552 11.324 ( -4.193 4.082 -2.897) 6.530 12.224 ( -11.268 22.770 20.875) 32.882 12.342 ( 3.212 -10.705 -6.645) 13.003 12.838 ( 5.008 1.681 -7.792) 9.414 14.189 ( 0.162 7.458 0.443) 7.473 14.409 ( -0.908 -0.686 0.403) 1.207 15.009 ( 0.160 -0.743 -2.280) 2.403 15.825 ( 8.646 1.412 -4.969) 10.072 16.251 ( 6.746 -7.735 -3.367) 10.802 17.681 ( -18.777 8.898 -1.376) 20.824 18.488 ( 9.811 -6.591 -1.308) 11.892 18.733 ( 6.419 1.635 5.557) 8.647 19.331 ( -4.947 -0.564 -5.990) 7.789 ======================= Grid point 174 (80/251) ======================= q-point: (-0.10 -0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -9.876 -8.174 3.167) 13.205 1.568 ( -7.613 -11.415 -1.216) 13.775 1.759 ( 1.917 -8.504 2.933) 9.198 2.242 ( -0.549 -14.464 -3.296) 14.845 2.438 ( -11.746 -3.360 0.025) 12.217 2.838 ( 8.512 -0.472 0.356) 8.532 2.997 ( 2.565 -1.916 3.237) 4.553 3.259 ( -2.439 -11.339 4.326) 12.379 3.650 ( -4.996 -2.536 7.979) 9.750 3.750 ( 3.872 -2.876 3.563) 5.996 4.038 ( 1.359 5.665 -5.529) 8.032 4.144 ( -6.515 4.267 -1.145) 7.872 4.822 ( 0.513 3.506 5.669) 6.685 5.354 ( 2.860 0.122 4.143) 5.035 5.546 ( -7.809 7.995 -4.493) 12.045 5.720 ( 1.440 -0.281 -6.285) 6.454 5.998 ( -5.066 6.626 3.559) 9.069 6.964 ( 5.414 -6.674 3.177) 9.162 7.319 ( 7.828 -4.107 1.438) 8.956 7.540 ( 6.906 3.468 1.692) 7.911 10.308 ( -0.488 -3.063 1.747) 3.560 10.651 ( 6.366 -2.997 6.609) 9.653 11.147 ( 2.601 1.198 -6.415) 7.025 11.195 ( -4.916 4.825 -4.439) 8.194 11.853 ( -12.440 10.726 28.278) 32.702 12.603 ( 6.522 -13.331 -8.674) 17.190 12.812 ( 4.467 2.275 -5.658) 7.559 14.001 ( -3.506 9.980 1.714) 10.716 14.461 ( 1.365 -4.545 -2.489) 5.359 15.049 ( -0.806 -3.185 0.680) 3.356 15.737 ( 4.990 10.757 2.645) 12.150 16.529 ( 15.800 -10.983 -7.177) 20.537 17.343 ( -19.048 8.663 -2.747) 21.105 18.615 ( 6.961 0.535 -4.322) 8.211 18.776 ( 0.954 -0.295 7.904) 7.967 19.309 ( -2.510 -2.541 -3.132) 4.751 ======================= Grid point 182 (81/251) ======================= q-point: (-0.30 -0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -11.471 -0.000 11.444) 16.203 1.091 ( -19.516 -0.000 7.936) 21.068 1.651 ( 2.402 0.000 9.055) 9.368 1.862 ( -14.031 -0.000 3.413) 14.440 2.027 ( -27.850 -0.000 7.625) 28.875 2.660 ( 6.407 0.000 3.883) 7.492 2.883 ( 3.503 0.000 17.627) 17.971 2.980 ( 13.229 0.000 -3.085) 13.584 3.437 ( -7.528 -0.000 1.665) 7.710 3.933 ( 5.762 0.000 8.360) 10.154 4.139 ( 4.189 0.000 -5.887) 7.225 4.749 ( 13.046 0.000 -1.990) 13.197 4.927 ( -1.489 -0.000 3.258) 3.582 5.526 ( -11.034 -0.000 -15.914) 19.365 5.721 ( -1.204 -0.000 10.896) 10.963 5.803 ( -9.445 -0.000 -8.772) 12.890 5.980 ( -5.648 -0.000 -3.312) 6.547 6.410 ( -4.542 -0.000 1.667) 4.838 7.037 ( 9.669 0.000 -2.350) 9.950 7.489 ( 9.273 0.000 4.866) 10.472 10.372 ( 4.003 0.000 2.279) 4.606 10.375 ( 6.598 0.000 10.291) 12.224 10.912 ( -0.228 -0.000 -6.662) 6.666 11.389 ( -8.024 -0.000 -8.848) 11.945 12.130 ( 2.530 0.000 -5.010) 5.613 12.820 ( 5.764 0.000 -10.330) 11.830 12.973 ( 0.126 0.000 25.915) 25.916 14.326 ( 4.844 0.000 3.736) 6.118 14.445 ( 0.367 0.000 2.460) 2.487 15.123 ( -4.776 -0.000 -9.933) 11.021 15.471 ( 11.067 0.000 -10.487) 15.247 16.223 ( 1.031 0.000 1.674) 1.966 17.899 ( -15.433 -0.000 -1.078) 15.470 18.279 ( 6.373 0.000 -0.871) 6.432 18.765 ( 6.521 0.000 2.103) 6.852 19.336 ( -2.824 -0.000 -7.576) 8.085 ======================= Grid point 183 (82/251) ======================= q-point: (-0.20 -0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -11.058 -16.094 4.967) 20.149 1.040 ( -17.853 -9.068 9.272) 22.067 1.566 ( -12.922 5.131 5.821) 15.073 1.789 ( -1.641 -6.070 7.984) 10.163 2.063 ( -22.727 -15.068 6.238) 27.973 2.749 ( 4.710 -2.833 4.326) 6.995 2.962 ( 3.604 0.164 12.221) 12.742 3.082 ( 13.193 -0.036 -1.999) 13.343 3.417 ( -5.124 -3.008 3.608) 6.951 3.935 ( 4.020 5.407 5.777) 8.876 4.183 ( 3.613 -1.507 -2.567) 4.682 4.471 ( -6.086 20.320 -2.229) 21.328 4.968 ( -2.096 1.922 1.112) 3.053 5.481 ( -3.621 0.256 -7.292) 8.146 5.544 ( 1.002 1.014 0.379) 1.475 5.875 ( -5.554 3.611 -6.505) 9.285 6.078 ( -2.154 -12.733 -4.870) 13.801 6.452 ( -0.160 -10.935 5.822) 12.390 7.138 ( 8.589 -3.267 -1.376) 9.292 7.585 ( 9.437 -0.696 2.975) 9.919 10.341 ( 2.344 5.172 1.632) 5.908 10.496 ( 7.598 -3.265 10.204) 13.134 10.985 ( 1.011 -7.158 -3.447) 8.009 11.301 ( -7.091 0.098 -7.354) 10.216 12.187 ( 4.027 -5.220 -7.613) 10.071 12.696 ( -5.469 23.538 22.802) 33.225 12.897 ( 5.042 4.032 -1.536) 6.636 14.323 ( 0.803 5.277 3.313) 6.283 14.437 ( 2.986 1.811 0.709) 3.563 14.997 ( -3.446 1.974 -6.153) 7.323 15.764 ( 16.260 -15.066 -10.402) 24.486 16.224 ( 2.338 0.501 1.867) 3.034 17.686 ( -17.938 7.345 -1.029) 19.411 18.415 ( 8.009 -7.547 -2.671) 11.325 18.817 ( 5.694 0.422 2.872) 6.392 19.279 ( -4.037 0.789 -7.123) 8.226 ======================= Grid point 184 (83/251) ======================= q-point: (-0.10 -0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -13.497 -10.034 3.409) 17.160 1.224 ( -12.205 -15.863 1.753) 20.092 1.588 ( -0.937 -10.655 7.150) 12.866 1.966 ( -1.292 -11.439 1.097) 11.564 2.173 ( -19.696 -12.456 4.802) 23.794 2.852 ( 2.399 -3.577 4.956) 6.566 3.013 ( 2.902 -0.695 6.581) 7.226 3.162 ( 9.260 0.637 -2.790) 9.692 3.499 ( -3.471 -7.256 6.107) 10.099 3.854 ( 1.423 5.944 4.876) 7.819 4.113 ( -8.123 7.005 -0.930) 10.766 4.208 ( 1.782 3.238 -0.790) 3.780 4.874 ( -5.020 2.987 0.377) 5.853 5.407 ( 0.235 2.003 0.894) 2.205 5.582 ( -0.550 1.622 -1.674) 2.395 5.730 ( -1.858 3.236 -8.963) 9.709 6.089 ( -2.483 4.740 2.749) 6.016 6.826 ( 8.065 -15.450 1.257) 17.474 7.283 ( 6.423 -4.992 0.397) 8.145 7.670 ( 10.677 1.257 -0.965) 10.794 10.286 ( -0.113 1.188 1.483) 1.903 10.661 ( 7.854 -3.924 8.486) 12.210 11.090 ( -0.866 -3.486 -5.975) 6.972 11.225 ( -5.161 1.397 -3.972) 6.661 12.142 ( -15.452 22.202 28.882) 39.571 12.387 ( 5.425 -10.267 -3.176) 12.039 12.881 ( 5.551 2.283 -8.317) 10.256 14.168 ( -3.261 9.490 3.521) 10.634 14.450 ( 6.149 0.603 -1.732) 6.416 14.983 ( -2.233 -2.676 -0.889) 3.597 15.964 ( 8.971 5.869 0.651) 10.740 16.410 ( 17.161 -13.238 -6.104) 22.516 17.357 ( -19.369 9.604 -2.040) 21.715 18.587 ( 2.968 -4.653 -6.505) 8.531 18.849 ( 3.574 2.058 5.526) 6.895 19.236 ( -1.636 -1.946 -3.771) 4.548 ======================= Grid point 193 (84/251) ======================= q-point: (-0.20 -0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -13.504 -0.000 16.460) 21.291 0.796 ( -21.602 -0.000 8.357) 23.162 1.543 ( -34.687 -0.000 15.066) 37.817 1.692 ( -8.574 -0.000 1.958) 8.795 1.766 ( 0.598 0.000 11.881) 11.896 2.763 ( 3.567 0.000 3.310) 4.867 3.049 ( 4.821 0.000 16.513) 17.202 3.192 ( 16.074 0.000 -6.466) 17.326 3.363 ( -3.540 -0.000 3.929) 5.289 4.043 ( 1.648 0.000 6.855) 7.051 4.173 ( 2.574 0.000 0.337) 2.596 4.872 ( 4.828 0.000 -13.198) 14.053 4.913 ( -3.084 -0.000 2.887) 4.224 5.292 ( -6.530 -0.000 -11.419) 13.155 5.611 ( -8.344 -0.000 -6.987) 10.882 5.749 ( -4.159 -0.000 3.341) 5.335 5.850 ( -2.519 -0.000 -4.553) 5.203 6.372 ( -3.335 -0.000 6.875) 7.642 7.167 ( 7.628 0.000 -1.606) 7.796 7.650 ( 7.570 0.000 2.002) 7.830 10.457 ( 4.002 0.000 3.199) 5.123 10.555 ( 8.409 0.000 8.857) 12.213 10.883 ( 0.090 0.000 -2.532) 2.534 11.214 ( -6.911 -0.000 -7.718) 10.360 12.155 ( 4.288 0.000 -5.940) 7.326 12.881 ( 8.161 0.000 -9.276) 12.355 13.206 ( 7.702 0.000 39.007) 39.761 14.407 ( 2.179 0.000 3.275) 3.934 14.498 ( 4.180 0.000 6.832) 8.010 14.961 ( -8.101 -0.000 -9.901) 12.793 15.632 ( 15.448 0.000 -10.154) 18.486 16.260 ( 2.401 0.000 2.249) 3.290 17.632 ( -16.680 -0.000 -0.189) 16.681 18.354 ( 3.491 0.000 -8.096) 8.816 18.865 ( 4.395 0.000 1.840) 4.765 19.240 ( -3.234 -0.000 -7.793) 8.438 ======================= Grid point 194 (85/251) ======================= q-point: (-0.10 -0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -16.435 -12.365 3.702) 20.898 0.836 ( -16.215 -13.075 11.488) 23.787 1.370 ( -19.089 -8.977 18.425) 28.008 1.763 ( -14.018 -10.718 1.207) 17.687 1.835 ( -0.757 -4.247 9.766) 10.676 2.821 ( 1.526 -2.224 3.262) 4.233 3.102 ( 5.068 3.343 13.990) 15.251 3.287 ( 14.804 1.496 -7.048) 16.465 3.390 ( -1.512 -3.240 5.869) 6.873 3.981 ( -2.519 5.960 4.846) 8.084 4.236 ( 1.700 1.109 1.015) 2.269 4.271 ( -16.439 20.072 -0.530) 25.950 4.869 ( -6.443 2.047 -3.228) 7.491 5.397 ( -2.970 -1.049 -4.764) 5.711 5.620 ( 3.094 0.217 1.083) 3.285 5.732 ( -2.213 0.336 -12.992) 13.183 6.102 ( 7.381 -10.788 0.180) 13.073 6.497 ( 3.124 -20.182 1.133) 20.453 7.254 ( 6.151 -3.229 -0.506) 6.966 7.734 ( 8.278 -2.077 -2.390) 8.862 10.377 ( 0.561 7.511 1.899) 7.768 10.686 ( 8.822 -3.127 8.123) 12.393 10.973 ( -1.825 -6.443 -4.088) 7.845 11.156 ( -4.990 -0.949 -5.986) 7.851 12.226 ( 5.650 -5.013 -4.710) 8.902 12.750 ( -10.680 37.477 38.334) 54.663 12.952 ( 2.667 6.468 -3.472) 7.811 14.326 ( -1.683 8.000 3.348) 8.834 14.550 ( 9.730 2.369 5.710) 11.528 14.900 ( -4.737 -2.544 -1.699) 5.639 16.050 ( 23.550 -13.842 -5.109) 27.790 16.304 ( 8.377 -5.487 0.184) 10.016 17.378 ( -18.849 9.347 -1.229) 21.075 18.449 ( -1.450 -8.847 -14.482) 17.033 18.907 ( 3.274 -0.189 2.500) 4.123 19.194 ( -0.905 -0.285 -4.076) 4.185 ======================= Grid point 204 (86/251) ======================= q-point: (-0.10 -0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -20.507 -0.000 11.211) 23.371 0.575 ( -14.007 -0.000 21.313) 25.504 1.068 ( -35.888 -0.000 28.686) 45.944 1.606 ( -3.297 -0.000 1.266) 3.532 1.842 ( -0.250 -0.000 9.101) 9.105 2.815 ( 0.858 0.000 2.886) 3.011 3.253 ( 11.230 0.000 10.122) 15.119 3.387 ( 4.074 0.000 13.780) 14.369 3.417 ( 16.380 0.000 -9.067) 18.722 4.035 ( -6.605 -0.000 3.089) 7.291 4.229 ( 0.977 0.000 4.146) 4.260 4.634 ( -22.872 -0.000 -25.526) 34.274 4.831 ( -5.461 -0.000 -5.606) 7.826 5.246 ( 3.491 0.000 3.668) 5.064 5.471 ( -4.044 -0.000 -4.945) 6.389 5.622 ( -4.945 -0.000 -5.964) 7.747 5.911 ( 6.280 0.000 4.307) 7.615 6.379 ( -1.300 -0.000 10.630) 10.710 7.264 ( 4.900 0.000 -0.351) 4.913 7.742 ( 3.114 0.000 -1.473) 3.444 10.511 ( 0.389 0.000 0.649) 0.757 10.705 ( 4.522 0.000 0.096) 4.523 10.854 ( -4.314 -0.000 -3.809) 5.755 11.116 ( -0.566 -0.000 -2.058) 2.134 12.218 ( 6.546 0.000 -1.034) 6.627 12.964 ( 7.537 0.000 -8.276) 11.194 13.542 ( 0.114 0.000 6.687) 6.688 14.429 ( -1.034 -0.000 1.983) 2.237 14.703 ( -2.872 -0.000 7.674) 8.194 15.033 ( 49.670 0.000 47.376) 68.641 15.827 ( 13.811 0.000 -9.079) 16.528 16.337 ( 4.880 0.000 4.090) 6.367 17.371 ( -14.451 -0.000 0.174) 14.452 18.108 ( -30.420 -0.000 -30.919) 43.374 18.927 ( 1.954 0.000 1.660) 2.564 19.181 ( 1.019 0.000 -2.867) 3.043 ======================= Grid point 205 (87/251) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 0.154 0.000 17.371) 17.372 0.982 ( -7.046 -0.000 21.160) 22.302 1.505 ( -18.823 -0.000 30.560) 35.892 1.644 ( -0.096 -0.000 3.653) 3.654 2.131 ( -5.561 -0.000 16.097) 17.030 2.915 ( -0.342 -0.000 4.443) 4.456 3.327 ( 7.239 0.000 -12.645) 14.570 3.378 ( -0.518 -0.000 0.315) 0.606 3.617 ( -16.554 -0.000 -11.966) 20.426 3.775 ( 4.772 0.000 2.276) 5.287 3.840 ( -7.167 -0.000 -3.867) 8.144 4.579 ( -1.295 -0.000 -6.453) 6.582 4.822 ( 2.525 0.000 8.643) 9.005 5.239 ( 4.150 0.000 -9.348) 10.228 5.415 ( 3.368 0.000 4.633) 5.728 5.723 ( 9.648 0.000 13.038) 16.219 6.073 ( 4.282 0.000 2.664) 5.043 6.709 ( 0.025 0.000 10.543) 10.543 7.296 ( 1.255 0.000 -3.947) 4.141 7.588 ( -4.851 -0.000 -7.411) 8.858 10.414 ( -3.643 -0.000 -2.027) 4.169 10.634 ( -14.155 -0.000 8.341) 16.430 10.760 ( 3.295 0.000 -3.204) 4.596 11.288 ( 9.920 0.000 4.674) 10.966 12.371 ( 4.022 0.000 3.504) 5.334 12.830 ( 5.391 0.000 -9.463) 10.891 13.235 ( -17.037 -0.000 6.927) 18.391 14.385 ( -2.510 -0.000 -3.008) 3.918 14.840 ( -2.297 -0.000 9.241) 9.522 15.773 ( 7.634 0.000 -8.414) 11.361 16.586 ( 3.836 0.000 7.635) 8.545 16.877 ( 28.250 0.000 2.407) 28.353 17.008 ( -16.046 -0.000 0.179) 16.047 17.192 ( -3.095 -0.000 -1.819) 3.590 18.987 ( -1.649 -0.000 2.386) 2.901 19.212 ( 3.738 0.000 -0.363) 3.755 ======================= Grid point 206 (88/251) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 5.208 0.563 18.155) 18.896 0.984 ( -1.885 -3.803 18.538) 19.018 1.495 ( -8.669 -4.788 12.341) 15.824 1.802 ( 0.599 -10.690 11.018) 15.363 2.148 ( -5.202 -2.395 13.335) 14.512 2.955 ( -2.217 -3.718 6.188) 7.552 3.218 ( -6.207 10.897 -10.231) 16.185 3.405 ( -2.476 -4.548 0.663) 5.220 3.452 ( -4.490 -4.303 -4.762) 7.832 3.793 ( -1.878 -2.626 0.998) 3.380 3.871 ( 2.643 0.586 -3.423) 4.364 4.586 ( -2.251 3.093 -4.890) 6.208 4.769 ( 3.991 0.873 6.419) 7.609 5.143 ( -0.508 6.334 -7.995) 10.213 5.566 ( 11.444 -2.276 8.729) 14.572 5.866 ( 6.327 -1.806 6.378) 9.164 6.297 ( 4.551 -15.731 -2.238) 16.528 6.703 ( -1.560 1.630 10.232) 10.478 7.301 ( -1.600 -1.733 -8.224) 8.555 7.495 ( -7.252 2.498 -6.087) 9.792 10.352 ( -2.258 2.292 0.501) 3.256 10.552 ( -12.489 -0.220 9.183) 15.503 10.806 ( -0.942 -3.427 -4.721) 5.909 11.338 ( 8.935 4.380 4.190) 10.797 12.470 ( 1.597 -6.781 5.738) 9.026 12.807 ( 1.616 4.226 -5.795) 7.352 13.033 ( -9.139 8.807 10.238) 16.306 14.297 ( -2.404 5.746 -1.505) 6.408 14.871 ( -2.439 -2.148 7.199) 7.899 15.533 ( 4.265 20.982 3.503) 21.696 16.377 ( -16.585 9.994 4.543) 19.889 16.853 ( -9.256 -6.464 2.173) 11.497 17.096 ( 12.458 2.026 -0.783) 12.646 17.594 ( 21.781 -15.623 -11.982) 29.361 18.979 ( -3.571 -0.750 2.527) 4.438 19.263 ( 2.595 -2.404 0.154) 3.541 ======================= Grid point 207 (89/251) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 1.048 -6.179 12.251) 13.761 1.227 ( 8.581 -11.179 9.013) 16.728 1.608 ( -0.682 -7.785 4.048) 8.801 2.009 ( 1.904 -6.424 6.884) 9.607 2.199 ( -2.656 -2.640 5.095) 6.323 2.937 ( -6.403 5.951 -4.141) 9.673 3.083 ( -1.335 -5.230 7.417) 9.173 3.520 ( 1.089 -7.377 -0.760) 7.496 3.545 ( -3.875 -7.971 -0.199) 8.865 3.777 ( -11.131 1.058 -0.716) 11.204 3.897 ( 2.867 -3.762 1.617) 4.999 4.434 ( 3.053 8.305 -0.145) 8.850 4.839 ( 4.948 5.297 5.435) 9.060 5.032 ( -4.927 -4.190 -8.839) 10.952 5.693 ( 13.317 2.370 10.721) 17.259 5.927 ( 3.816 0.949 4.677) 6.111 6.445 ( 3.614 5.159 1.372) 6.446 6.818 ( -5.226 -14.153 2.666) 15.321 7.244 ( -7.821 0.863 -18.093) 19.730 7.380 ( -5.182 1.809 1.485) 5.686 10.326 ( -0.665 -0.870 1.827) 2.130 10.495 ( -9.335 -0.641 8.320) 12.521 10.830 ( -3.455 -2.717 -6.043) 7.472 11.289 ( 6.375 8.046 2.933) 10.677 12.574 ( -8.958 5.799 17.772) 20.730 12.737 ( 4.136 -6.053 -0.130) 7.333 12.901 ( 0.473 3.667 -2.667) 4.559 14.130 ( -2.600 9.339 0.528) 9.708 14.914 ( -2.818 -2.967 5.341) 6.729 15.229 ( 0.669 13.745 7.931) 15.883 16.087 ( -11.121 10.054 1.047) 15.029 16.871 ( 2.509 2.405 -0.752) 3.556 17.160 ( -2.586 -4.554 -0.632) 5.275 17.905 ( 18.519 -4.797 -13.013) 23.137 18.975 ( -5.884 -1.848 3.536) 7.109 19.336 ( 2.159 -2.781 0.712) 3.592 ======================= Grid point 208 (90/251) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.149 -12.163 2.628) 12.444 1.540 ( 9.580 -11.157 1.061) 14.744 1.783 ( 4.642 -7.477 4.682) 9.969 2.101 ( 1.889 0.291 -0.523) 1.982 2.257 ( 1.616 -5.678 -1.681) 6.138 2.801 ( -1.904 3.878 -3.714) 5.697 3.207 ( -7.227 -8.049 8.458) 13.731 3.494 ( -6.921 8.331 -8.354) 13.678 3.697 ( 0.066 -7.346 3.986) 8.358 3.749 ( -6.052 -8.474 0.126) 10.414 4.021 ( 0.374 -5.457 7.163) 9.013 4.366 ( 5.307 3.380 4.161) 7.543 4.690 ( 2.330 9.030 0.213) 9.328 5.143 ( -4.094 -8.400 -1.967) 9.549 5.727 ( 8.155 6.762 9.406) 14.167 5.943 ( 4.443 1.720 4.887) 6.825 6.309 ( 0.976 10.653 6.352) 12.441 6.975 ( -4.303 -2.731 -7.208) 8.828 7.132 ( -10.086 -6.459 -11.065) 16.306 7.348 ( -3.129 -0.938 2.491) 4.108 10.387 ( 0.275 -4.929 1.347) 5.117 10.474 ( -6.565 -1.781 6.886) 9.679 10.834 ( -2.396 -2.283 -5.649) 6.547 11.172 ( 4.463 8.965 2.699) 10.372 12.389 ( -9.601 7.518 18.935) 22.522 12.829 ( 0.838 3.532 -5.850) 6.884 12.943 ( 1.849 -8.927 -0.249) 9.120 13.916 ( -2.293 10.541 1.721) 10.924 14.961 ( -1.573 -0.146 2.648) 3.083 15.075 ( -1.829 2.287 9.406) 9.851 15.805 ( -6.906 12.095 0.562) 13.939 16.816 ( 4.686 5.182 -2.632) 7.466 17.197 ( -5.587 -2.849 -3.334) 7.103 18.070 ( 14.598 -2.940 -8.936) 17.366 18.968 ( -8.165 -2.074 4.301) 9.458 19.402 ( 2.594 -1.673 1.218) 3.319 ======================= Grid point 209 (91/251) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -1.745 -9.522 -1.099) 9.743 1.774 ( 6.438 -6.501 -3.125) 9.669 1.946 ( 1.243 -1.091 2.513) 3.008 2.121 ( 11.873 -2.804 -2.335) 12.421 2.417 ( 0.851 -8.670 -5.336) 10.216 2.719 ( -0.602 1.869 -3.808) 4.285 3.193 ( -8.796 11.569 -12.293) 19.035 3.320 ( -6.140 -7.542 6.142) 11.502 3.798 ( -8.926 -6.188 -3.308) 11.354 3.882 ( 1.951 -4.493 8.685) 9.971 4.103 ( 5.626 2.661 12.246) 13.736 4.347 ( 0.921 3.366 3.308) 4.808 4.664 ( 2.916 -4.059 2.764) 5.711 5.201 ( -5.898 -1.877 -1.349) 6.335 5.660 ( 0.825 4.870 7.168) 8.705 5.945 ( 4.177 3.925 4.179) 7.093 6.105 ( -1.947 11.480 7.327) 13.757 6.931 ( -1.640 -2.146 -10.386) 10.732 7.213 ( -2.677 -6.573 -2.440) 7.505 7.377 ( -3.717 -3.774 3.936) 6.600 10.473 ( -1.041 -1.373 4.595) 4.908 10.526 ( -4.370 -8.163 1.912) 9.454 10.858 ( 0.696 -2.603 -4.511) 5.255 11.058 ( 3.787 6.706 3.265) 8.365 12.268 ( -8.655 2.753 17.876) 20.051 12.740 ( -0.119 4.179 -5.978) 7.295 13.059 ( 0.314 -1.789 -1.294) 2.230 13.743 ( -0.136 5.787 1.726) 6.041 14.867 ( -2.788 6.112 1.565) 6.898 15.184 ( -1.366 -8.874 9.359) 12.969 15.524 ( -4.191 12.225 0.287) 12.926 16.757 ( 4.327 3.604 -2.966) 6.364 17.157 ( -3.399 1.543 -6.048) 7.107 18.226 ( 10.552 -4.780 -5.482) 12.816 18.940 ( -10.033 -1.500 4.409) 11.061 19.443 ( 3.274 0.398 1.647) 3.687 ======================= Grid point 210 (92/251) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -2.415 -3.265 -1.623) 4.374 1.830 ( 0.381 5.062 -2.970) 5.881 1.940 ( 2.961 -2.000 -1.251) 3.786 2.326 ( 11.143 -3.801 -0.729) 11.796 2.454 ( -5.258 1.108 -4.660) 7.113 2.759 ( 3.641 -4.355 -7.036) 9.041 2.895 ( -2.453 7.985 -13.068) 15.510 3.455 ( -1.385 -9.278 1.661) 9.527 3.757 ( -11.709 0.626 2.812) 12.059 3.986 ( 1.060 -2.214 9.696) 10.002 4.123 ( 7.084 3.631 12.263) 14.620 4.247 ( -4.188 8.088 2.219) 9.374 4.815 ( 1.885 -6.423 4.982) 8.344 5.159 ( -6.995 -2.006 -3.036) 7.885 5.609 ( -0.023 3.644 6.180) 7.175 5.817 ( -0.584 9.337 -0.512) 9.369 5.994 ( -1.757 1.085 8.787) 9.026 6.986 ( 1.214 -5.144 -5.832) 7.870 7.316 ( 3.955 -3.945 -0.559) 5.614 7.437 ( -3.455 -4.133 4.068) 6.751 10.480 ( -2.568 0.673 4.389) 5.129 10.651 ( -2.909 -6.758 1.544) 7.518 10.905 ( 0.046 -2.636 -4.577) 5.282 11.027 ( 5.194 0.755 3.329) 6.215 12.240 ( -6.913 -1.076 18.058) 19.366 12.651 ( -0.207 2.764 -5.055) 5.765 13.008 ( 2.740 7.221 -1.549) 7.877 13.729 ( 1.530 -2.934 1.242) 3.534 14.717 ( -3.963 6.854 1.876) 8.136 15.287 ( -2.904 8.894 2.070) 9.582 15.402 ( 0.798 -10.926 5.950) 12.466 16.736 ( 5.943 2.258 -2.764) 6.932 17.066 ( -2.249 3.153 -6.969) 7.973 18.376 ( 5.236 -5.039 -5.321) 9.006 18.895 ( -9.623 -1.252 4.913) 10.877 19.445 ( 3.807 2.915 1.884) 5.151 ======================= Grid point 211 (93/251) ======================= q-point: (-0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -3.385 3.764 0.575) 5.095 1.666 ( -2.584 9.349 -3.261) 10.233 1.988 ( 2.205 0.953 3.124) 3.940 2.296 ( -8.629 5.337 -6.916) 12.279 2.350 ( 2.050 6.450 -4.982) 8.404 2.819 ( 11.247 -3.449 -3.689) 12.329 2.893 ( 1.803 -4.086 -8.831) 9.896 3.619 ( -6.792 0.680 1.147) 6.922 3.682 ( 1.280 -5.687 5.794) 8.219 3.946 ( -9.964 8.853 2.367) 13.538 4.069 ( -0.957 1.986 9.814) 10.058 4.153 ( 4.124 1.892 12.662) 13.451 4.908 ( -2.096 -0.979 3.780) 4.432 5.171 ( -6.154 -5.668 -6.552) 10.626 5.533 ( 2.632 5.221 4.196) 7.197 5.712 ( 2.539 3.190 -0.979) 4.193 6.020 ( -4.566 -4.008 8.701) 10.612 7.078 ( 1.906 -3.394 -1.846) 4.308 7.398 ( 4.833 -0.275 -1.926) 5.210 7.503 ( -0.202 -3.575 1.756) 3.988 10.426 ( -2.870 3.463 3.606) 5.765 10.749 ( 0.222 -4.656 1.954) 5.054 10.925 ( -3.577 -2.060 -3.941) 5.707 11.095 ( 3.158 -2.054 0.387) 3.787 12.297 ( -5.075 -4.450 19.118) 20.275 12.618 ( 2.768 0.283 -4.079) 4.938 12.859 ( 4.553 10.277 -0.200) 11.243 13.856 ( 1.714 -7.854 1.616) 8.200 14.579 ( -1.620 5.050 3.645) 6.435 15.134 ( -0.900 5.926 0.725) 6.038 15.654 ( 1.758 -12.243 5.367) 13.483 16.737 ( 13.245 5.503 -3.190) 14.693 16.981 ( -6.565 -0.529 -6.146) 9.008 18.436 ( -4.419 -2.254 -8.349) 9.712 18.889 ( -3.653 -2.593 6.440) 7.845 19.405 ( 4.086 5.167 1.659) 6.793 ======================= Grid point 212 (94/251) ======================= q-point: (-0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -5.420 9.882 3.900) 11.926 1.423 ( -7.118 11.075 0.941) 13.198 1.942 ( 1.193 5.985 5.402) 8.150 2.044 ( -5.900 9.970 -5.564) 12.851 2.286 ( -4.712 -0.116 -0.326) 4.725 2.944 ( 0.418 -3.735 -5.163) 6.386 3.019 ( 16.596 -3.969 -3.554) 17.430 3.397 ( -9.849 13.315 11.602) 20.221 3.659 ( -8.582 3.752 1.185) 9.441 3.963 ( 8.046 -4.850 -2.209) 9.651 4.080 ( -5.444 -4.669 9.442) 11.857 4.186 ( 0.123 1.224 13.444) 13.500 4.852 ( -4.480 2.670 1.080) 5.326 5.224 ( -4.931 -6.679 -10.178) 13.134 5.486 ( 1.528 4.982 2.586) 5.817 5.690 ( 5.145 1.365 -0.127) 5.325 6.126 ( -2.020 -7.038 8.280) 11.054 7.094 ( 1.619 4.551 0.791) 4.895 7.389 ( 4.651 3.648 -3.661) 6.953 7.570 ( 0.728 -3.268 -4.185) 5.360 10.348 ( -1.774 2.862 2.757) 4.352 10.853 ( 3.655 -3.270 3.133) 5.819 10.901 ( -7.168 -1.771 -2.539) 7.808 11.111 ( -1.044 1.493 -3.765) 4.183 12.411 ( 2.928 -2.134 9.163) 9.853 12.667 ( 2.721 -3.474 8.002) 9.138 12.731 ( -0.047 3.889 2.235) 4.486 14.042 ( -0.166 -9.674 2.526) 9.999 14.558 ( 5.663 -0.575 6.554) 8.680 15.037 ( -0.850 4.019 0.789) 4.183 15.922 ( 3.858 -11.864 4.276) 13.188 16.709 ( 23.586 11.901 -4.000) 26.720 16.958 ( -13.455 -6.926 -4.362) 15.749 18.352 ( -11.860 0.780 -10.884) 16.116 18.954 ( 0.964 -2.524 6.009) 6.588 19.329 ( 4.163 6.363 0.743) 7.640 ======================= Grid point 213 (95/251) ======================= q-point: (-0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -9.415 12.442 7.821) 17.453 1.170 ( -11.125 8.621 10.315) 17.450 1.804 ( -9.426 6.035 0.560) 11.206 1.862 ( 0.760 6.844 8.196) 10.705 2.227 ( -6.348 3.567 10.362) 12.664 2.976 ( 1.199 2.410 1.430) 3.047 3.188 ( 5.796 -0.599 -2.961) 6.536 3.219 ( 5.209 -3.465 1.960) 6.555 3.531 ( -3.740 4.940 0.339) 6.206 3.974 ( -4.169 2.309 3.746) 6.062 4.138 ( -9.177 1.450 3.395) 9.892 4.292 ( 3.683 -10.683 10.064) 15.131 4.801 ( -1.920 0.806 0.614) 2.171 5.267 ( -3.669 -3.334 -10.584) 11.688 5.377 ( -0.377 4.117 -0.579) 4.174 5.733 ( 6.521 0.697 1.407) 6.707 6.270 ( 3.481 -3.904 4.948) 7.200 6.891 ( -0.211 16.538 0.739) 16.556 7.347 ( 4.357 3.314 -3.183) 6.332 7.611 ( -0.757 -2.766 -7.510) 8.039 10.327 ( -0.801 -1.379 2.068) 2.612 10.820 ( -9.522 0.546 1.619) 9.674 10.994 ( 3.620 4.956 -1.498) 6.317 11.009 ( 0.589 -3.206 -2.069) 3.861 12.413 ( 12.482 8.083 0.046) 14.871 12.734 ( 2.716 -2.382 -6.345) 7.301 12.891 ( -12.424 -17.918 25.700) 33.703 14.215 ( -2.578 -8.759 1.943) 9.334 14.762 ( 13.930 -9.931 11.769) 20.765 14.967 ( -0.837 2.400 2.274) 3.411 16.186 ( 5.861 -10.258 4.217) 12.544 16.658 ( 29.834 14.757 -3.255) 33.443 16.986 ( -15.021 -8.857 -3.271) 17.742 18.149 ( -15.786 6.152 -13.369) 21.582 19.003 ( 0.802 0.080 4.314) 4.389 19.248 ( 4.456 5.354 -0.238) 6.970 ======================= Grid point 214 (96/251) ======================= q-point: (-0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -8.987 5.334 16.449) 19.488 0.997 ( -11.770 2.631 18.537) 22.115 1.627 ( -14.045 3.664 8.560) 16.852 1.744 ( -2.706 8.644 14.893) 17.431 2.146 ( -5.301 2.485 16.561) 17.565 2.928 ( 0.582 2.635 4.437) 5.193 3.278 ( 9.899 -1.513 -10.540) 14.539 3.402 ( 9.863 0.022 -2.436) 10.159 3.450 ( -4.610 -9.217 -1.408) 10.402 3.869 ( -11.283 2.541 3.746) 12.157 4.008 ( -12.492 2.612 -4.728) 13.610 4.586 ( 4.526 -12.640 13.757) 19.223 4.710 ( -2.826 6.866 -3.965) 8.417 5.233 ( -2.659 -1.216 -9.135) 9.592 5.389 ( 5.034 -0.999 0.389) 5.147 5.737 ( 6.487 5.849 3.240) 9.316 6.215 ( 6.625 15.848 -1.873) 17.279 6.670 ( -2.154 1.795 11.462) 11.800 7.313 ( 3.193 2.527 -2.743) 4.909 7.620 ( -2.554 -1.764 -7.660) 8.265 10.386 ( -1.845 -4.582 0.017) 4.939 10.730 ( -12.787 0.278 4.946) 13.713 10.827 ( 1.416 7.468 -5.358) 9.300 11.163 ( 8.990 -3.481 3.919) 10.406 12.367 ( 8.538 5.435 2.258) 10.370 12.791 ( 5.765 -1.712 -8.748) 10.616 13.187 ( -17.943 -16.877 13.412) 28.048 14.344 ( -2.446 -6.330 -0.633) 6.816 14.870 ( -2.269 2.945 6.702) 7.664 15.324 ( 17.286 -25.928 9.349) 32.534 16.424 ( 6.358 -7.692 5.776) 11.531 16.639 ( 40.075 14.629 0.456) 42.664 17.026 ( -16.484 -9.475 -2.342) 19.157 17.723 ( -21.679 19.739 -11.907) 31.645 18.997 ( -0.499 1.021 2.882) 3.098 19.207 ( 4.580 2.780 -0.417) 5.374 ======================= Grid point 216 (97/251) ======================= q-point: ( 0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 15.638 0.000 12.748) 20.175 1.051 ( 0.576 0.000 20.921) 20.929 1.457 ( -5.905 -0.000 28.389) 28.996 1.681 ( 1.906 0.000 4.527) 4.912 2.113 ( -6.857 -0.000 13.086) 14.773 2.899 ( -5.866 -0.000 3.765) 6.970 3.215 ( -21.079 -0.000 1.800) 21.156 3.294 ( -0.376 -0.000 -10.601) 10.608 3.357 ( -3.299 -0.000 -1.117) 3.483 3.750 ( -4.452 -0.000 1.117) 4.590 3.967 ( 14.686 0.000 -9.928) 17.727 4.553 ( 2.800 0.000 -6.341) 6.932 4.808 ( -5.233 -0.000 -1.724) 5.510 5.306 ( 10.942 0.000 -10.976) 15.498 5.581 ( 6.864 0.000 19.217) 20.406 5.951 ( 9.857 0.000 11.014) 14.781 6.147 ( 2.427 0.000 3.257) 4.062 6.758 ( -0.545 -0.000 7.416) 7.436 7.231 ( -4.820 -0.000 -11.544) 12.510 7.442 ( -7.931 -0.000 -3.761) 8.778 10.354 ( -2.847 -0.000 -0.595) 2.909 10.486 ( -9.937 -0.000 10.788) 14.668 10.752 ( -1.992 -0.000 -4.005) 4.473 11.469 ( 8.795 0.000 4.017) 9.669 12.423 ( -0.210 -0.000 7.752) 7.755 12.839 ( 2.566 0.000 -9.777) 10.108 13.075 ( -9.382 -0.000 9.500) 13.352 14.326 ( -2.483 -0.000 -2.920) 3.833 14.855 ( -2.316 -0.000 8.562) 8.870 15.794 ( 0.776 0.000 -8.451) 8.486 16.322 ( -36.582 -0.000 7.350) 37.313 16.527 ( -13.376 -0.000 7.031) 15.111 17.331 ( 18.051 0.000 -0.564) 18.060 17.642 ( 34.679 0.000 -8.465) 35.698 18.948 ( -4.624 -0.000 1.694) 4.924 19.258 ( 2.402 0.000 -0.320) 2.424 ======================= Grid point 217 (98/251) ======================= q-point: ( 0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 1.700 4.927 22.778) 23.367 1.213 ( 17.498 -4.164 9.707) 20.438 1.494 ( 1.649 -3.081 10.827) 11.377 1.898 ( 4.706 -10.798 9.785) 15.313 2.121 ( -6.040 -3.218 9.641) 11.823 2.865 ( -11.032 -2.134 1.235) 11.304 3.091 ( -6.670 0.603 0.674) 6.731 3.274 ( -9.857 -5.949 2.103) 11.704 3.398 ( 0.313 -5.444 -1.775) 5.735 3.719 ( -7.098 -0.072 1.523) 7.260 3.983 ( 10.044 4.986 -9.067) 14.421 4.558 ( 2.442 3.002 -5.654) 6.852 4.788 ( -3.334 -5.576 -0.559) 6.521 5.185 ( 9.206 13.544 -2.549) 16.574 5.812 ( 10.410 -5.530 12.893) 17.469 6.013 ( 6.803 2.918 7.006) 10.192 6.337 ( 1.054 -13.977 1.194) 14.068 6.724 ( -2.274 3.737 7.451) 8.640 7.137 ( -9.629 0.267 -17.230) 19.740 7.363 ( -6.448 0.949 0.193) 6.521 10.318 ( -2.620 0.867 0.623) 2.829 10.450 ( -6.730 -0.211 9.679) 11.790 10.738 ( -3.399 -2.135 -5.485) 6.796 11.486 ( 6.562 5.790 2.692) 9.156 12.521 ( -0.192 -6.896 10.474) 12.542 12.787 ( -0.543 4.934 -4.381) 6.621 12.966 ( -5.464 5.070 4.879) 8.909 14.250 ( -2.273 5.024 -1.597) 5.741 14.867 ( -3.145 -1.159 7.231) 7.970 15.517 ( -7.580 16.981 1.964) 18.699 16.106 ( -14.931 1.591 -1.411) 15.081 16.594 ( -19.383 -13.613 4.534) 24.116 17.373 ( 20.808 9.518 -0.795) 22.895 17.931 ( 20.270 -5.493 -9.386) 23.003 18.910 ( -6.412 -0.391 2.076) 6.751 19.303 ( 2.631 -2.510 -0.599) 3.685 ======================= Grid point 218 (99/251) ======================= q-point: ( 0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 6.494 -1.520 13.217) 14.805 1.469 ( 14.234 -6.490 4.049) 16.160 1.670 ( 4.969 -8.650 7.311) 12.368 2.091 ( 4.173 -3.719 5.239) 7.662 2.185 ( -0.767 -3.849 2.048) 4.427 2.813 ( -7.170 -0.170 -0.556) 7.194 3.061 ( -5.678 -2.247 5.103) 7.958 3.410 ( -10.522 -13.790 0.803) 17.365 3.530 ( -7.018 -4.541 6.265) 10.446 3.611 ( -1.178 1.241 -5.039) 5.322 3.966 ( 3.465 -0.229 -1.113) 3.647 4.488 ( 3.114 4.237 -0.338) 5.269 4.917 ( -3.561 -7.812 -5.257) 10.067 4.989 ( 9.248 12.771 4.214) 16.321 5.970 ( 11.042 5.865 9.758) 15.859 6.008 ( 3.865 -0.077 6.541) 7.598 6.496 ( 1.707 4.077 1.751) 4.754 6.738 ( -6.898 -11.376 4.404) 14.014 6.970 ( -11.754 1.512 -18.962) 22.361 7.317 ( -4.169 -0.361 2.144) 4.702 10.303 ( -3.423 -1.975 1.853) 4.365 10.439 ( -3.832 -0.619 7.331) 8.296 10.750 ( -1.261 -3.001 -6.371) 7.155 11.390 ( 4.325 8.862 1.933) 10.048 12.553 ( -6.365 10.395 17.224) 21.101 12.754 ( -1.893 -9.045 0.918) 9.286 12.874 ( -0.741 2.250 -6.134) 6.575 14.096 ( -1.798 8.866 0.071) 9.047 14.900 ( -2.819 -3.200 6.005) 7.366 15.198 ( -7.637 10.218 4.272) 13.453 15.934 ( -7.334 6.909 -2.345) 10.345 16.682 ( -17.225 -9.582 -0.290) 19.713 17.346 ( 19.279 9.252 -2.037) 21.481 18.105 ( 11.973 -2.412 -7.764) 14.473 18.873 ( -8.787 -1.259 3.278) 9.462 19.381 ( 3.148 -3.103 -0.402) 4.438 ======================= Grid point 219 (100/251) ======================= q-point: ( 0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 7.676 -5.540 3.897) 10.237 1.696 ( 8.817 -6.691 -1.557) 11.177 1.893 ( 3.590 -6.835 5.983) 9.767 2.176 ( 7.652 -0.799 0.631) 7.719 2.283 ( 4.585 -5.938 -2.947) 8.060 2.735 ( -5.078 2.528 -1.417) 5.847 3.127 ( -7.501 -7.378 6.902) 12.584 3.306 ( -8.872 9.367 -6.958) 14.659 3.565 ( -9.105 -9.839 -3.666) 13.898 3.803 ( 3.616 -8.759 6.856) 11.696 4.049 ( -2.489 -7.070 6.783) 10.109 4.435 ( 0.150 4.363 3.411) 5.540 4.815 ( 12.314 9.627 0.061) 15.631 5.053 ( -6.501 -6.401 1.370) 9.226 5.854 ( 1.996 10.072 3.338) 10.797 6.072 ( 6.478 3.428 8.422) 11.164 6.335 ( -2.382 11.482 5.707) 13.041 6.829 ( -5.436 -1.992 -13.608) 14.788 6.959 ( -6.295 -13.351 -1.433) 14.830 7.323 ( -2.037 -2.018 4.016) 4.934 10.357 ( -4.058 -6.083 3.444) 8.083 10.449 ( -2.509 -1.175 4.606) 5.375 10.800 ( 2.531 -3.262 -5.749) 7.078 11.252 ( 3.435 8.965 2.018) 9.811 12.346 ( -8.104 8.018 16.823) 20.322 12.789 ( -1.046 3.093 -6.873) 7.609 12.928 ( -3.823 -8.708 0.939) 9.556 13.908 ( 0.374 9.435 0.593) 9.461 14.940 ( -2.067 2.481 -0.148) 3.232 15.055 ( -6.141 -3.069 9.360) 11.608 15.711 ( -4.892 10.515 -0.534) 11.609 16.673 ( -13.809 -4.175 -4.729) 15.182 17.331 ( 18.300 7.906 -2.851) 20.138 18.211 ( 7.762 -2.836 -5.455) 9.902 18.830 ( -11.029 -1.653 4.176) 11.908 19.459 ( 3.300 -2.046 0.264) 3.892 ======================= Grid point 220 (101/251) ======================= q-point: ( 0.50 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 6.383 -4.072 -0.442) 7.584 1.850 ( 4.139 -4.181 -1.782) 6.147 1.947 ( 0.324 1.988 -2.232) 3.006 2.302 ( 1.669 -3.688 -1.494) 4.315 2.435 ( 10.921 -4.078 0.016) 11.658 2.687 ( -0.592 -3.014 -3.887) 4.954 3.012 ( -3.202 9.443 -13.895) 17.103 3.276 ( -4.055 -8.020 7.888) 11.957 3.618 ( -9.762 -4.704 -2.748) 11.180 3.975 ( 2.553 -4.376 8.774) 10.132 4.189 ( -3.476 -5.935 9.378) 11.630 4.329 ( -2.947 5.805 3.531) 7.406 4.817 ( 10.078 2.631 5.259) 11.668 5.066 ( -7.745 -2.285 -1.695) 8.251 5.702 ( 0.135 6.136 2.975) 6.821 6.003 ( -0.717 9.421 1.794) 9.617 6.108 ( -2.111 9.029 8.866) 12.829 6.860 ( 0.144 -5.956 -8.861) 10.677 7.153 ( -3.726 -11.101 0.106) 11.710 7.381 ( 0.759 -3.182 4.969) 5.949 10.462 ( -2.883 -1.186 4.122) 5.168 10.483 ( -2.823 -8.299 4.041) 9.653 10.863 ( 2.842 -1.824 -4.928) 5.974 11.138 ( 3.630 5.801 1.891) 7.099 12.237 ( -6.889 1.910 16.521) 18.002 12.692 ( -1.125 3.627 -6.089) 7.176 13.026 ( -3.933 -4.389 0.088) 5.895 13.778 ( 3.243 5.208 0.444) 6.151 14.810 ( -4.143 5.926 -0.244) 7.235 15.200 ( -2.827 -10.094 9.027) 13.833 15.470 ( -2.976 10.715 0.711) 11.143 16.624 ( -11.715 -3.856 -6.373) 13.882 17.311 ( 19.730 9.553 -3.573) 22.210 18.305 ( 2.361 -3.578 -5.416) 6.907 18.790 ( -10.301 -2.353 5.687) 11.999 19.507 ( 2.944 -0.024 0.922) 3.085 ======================= Grid point 221 (102/251) ======================= q-point: (-0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 4.222 0.631 -0.828) 4.349 1.818 ( 0.654 7.801 -3.190) 8.453 1.969 ( 1.235 -3.588 -1.469) 4.070 2.237 ( -11.387 1.844 -2.965) 11.910 2.556 ( 9.111 6.793 -4.452) 12.206 2.798 ( 6.340 -5.343 -7.410) 11.120 2.866 ( 8.634 0.079 -8.523) 12.132 3.453 ( -0.569 -10.926 3.233) 11.408 3.593 ( -9.978 -2.358 1.840) 10.417 4.028 ( -3.740 3.930 8.263) 9.885 4.180 ( -3.344 5.999 2.024) 7.160 4.259 ( 0.242 0.837 14.742) 14.767 4.831 ( -4.009 -1.601 0.713) 4.375 5.085 ( 1.137 -1.971 0.483) 2.326 5.648 ( 1.084 2.614 3.758) 4.704 5.793 ( -1.885 6.818 -0.247) 7.078 6.010 ( -2.624 3.691 9.031) 10.103 6.973 ( 1.547 -6.758 -6.176) 9.285 7.307 ( -4.003 -7.702 1.513) 8.811 7.475 ( 3.984 -2.947 2.351) 5.485 10.454 ( -3.076 0.890 4.113) 5.212 10.635 ( -0.886 -7.500 3.886) 8.494 10.870 ( -1.162 0.163 -3.616) 3.801 11.109 ( 2.807 0.894 -0.094) 2.947 12.242 ( -5.223 -2.157 17.594) 18.480 12.627 ( 0.951 0.807 -4.441) 4.613 13.025 ( 0.260 2.740 -1.810) 3.294 13.774 ( 2.306 -1.900 1.449) 3.321 14.674 ( -1.791 5.186 1.509) 5.690 15.260 ( -2.598 7.889 4.616) 9.502 15.433 ( -0.737 -12.071 4.446) 12.885 16.607 ( -10.650 -5.731 -6.144) 13.565 17.269 ( 22.479 11.612 -3.588) 25.554 18.317 ( -8.262 -1.715 -8.111) 11.704 18.814 ( -3.322 -4.205 7.845) 9.500 19.509 ( 2.186 2.372 1.156) 3.426 ======================= Grid point 222 (103/251) ======================= q-point: (-0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 1.687 6.936 2.270) 7.491 1.617 ( -0.958 11.939 -2.496) 12.235 1.992 ( -5.789 1.694 3.055) 6.762 2.123 ( -4.782 0.397 -7.594) 8.983 2.360 ( 3.696 11.865 -7.282) 14.403 2.861 ( 0.684 -2.778 -7.952) 8.450 3.072 ( 19.326 -5.085 -0.689) 19.996 3.527 ( -6.176 1.860 3.986) 7.582 3.716 ( -1.465 -4.084 6.987) 8.224 3.779 ( -9.161 2.681 -2.523) 9.874 4.112 ( -0.152 3.979 8.343) 9.245 4.278 ( -0.283 1.800 15.236) 15.344 4.832 ( -6.850 -1.616 -1.694) 7.239 5.100 ( 0.699 -0.404 -2.578) 2.702 5.609 ( 3.479 4.014 3.933) 6.610 5.742 ( 0.873 1.321 0.755) 1.754 6.006 ( -2.815 -4.574 8.741) 10.259 7.086 ( 1.191 -4.708 -4.474) 6.603 7.391 ( -3.718 -4.094 1.815) 5.821 7.538 ( 3.298 -0.134 -4.194) 5.337 10.401 ( -2.317 3.138 3.831) 5.467 10.771 ( 0.308 -5.753 1.968) 6.088 10.833 ( -4.766 -0.190 -1.165) 4.910 11.110 ( -0.747 0.250 -2.561) 2.679 12.325 ( -5.359 -5.418 19.997) 21.399 12.659 ( 4.680 -2.605 -3.662) 6.488 12.925 ( 4.386 8.735 -2.098) 9.996 13.874 ( -1.764 -7.148 3.035) 7.963 14.626 ( 4.731 1.222 4.619) 6.724 15.122 ( -1.820 5.766 3.270) 6.874 15.695 ( -0.397 -14.074 4.460) 14.769 16.632 ( -9.413 -7.022 -5.604) 13.013 17.219 ( 24.836 12.619 -2.685) 27.987 18.210 ( -14.888 -0.406 -10.313) 18.116 18.917 ( 1.134 -4.206 7.804) 8.938 19.460 ( 1.266 4.418 0.758) 4.658 ======================= Grid point 223 (104/251) ======================= q-point: (-0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -3.412 14.405 3.888) 15.306 1.353 ( -2.163 13.329 3.580) 13.970 1.840 ( -9.326 5.882 -1.662) 11.151 2.042 ( 3.030 6.901 0.798) 7.579 2.244 ( -0.873 1.258 -0.157) 1.539 2.911 ( -0.279 -5.239 -7.119) 8.843 3.303 ( 15.986 -0.649 0.155) 16.000 3.308 ( -5.515 11.869 10.600) 16.842 3.581 ( -1.393 2.285 -0.547) 2.731 3.987 ( -9.375 -5.998 5.180) 12.276 4.054 ( 3.138 -1.475 -0.878) 3.577 4.249 ( -3.301 3.580 14.353) 15.156 4.778 ( -4.946 -0.592 -0.429) 5.000 5.153 ( 2.675 -3.877 -6.280) 7.851 5.506 ( -0.530 7.957 3.590) 8.745 5.773 ( 4.167 -1.458 2.540) 5.094 6.168 ( 1.484 -8.975 7.321) 11.677 7.102 ( -0.260 4.186 -2.119) 4.698 7.410 ( -0.314 0.916 -0.669) 1.177 7.516 ( -2.458 -0.938 -11.184) 11.489 10.339 ( -1.024 2.387 3.085) 4.033 10.743 ( -10.673 0.547 1.048) 10.738 10.929 ( 2.767 -5.963 1.839) 6.826 11.064 ( -1.186 2.016 -3.844) 4.500 12.474 ( -6.044 -9.192 18.932) 21.896 12.761 ( 4.961 -1.747 2.257) 5.723 12.768 ( 5.603 8.734 -3.058) 10.818 14.019 ( -4.151 -9.360 3.111) 10.701 14.748 ( 10.897 -5.468 8.283) 14.739 15.022 ( -2.164 4.045 3.214) 5.601 15.977 ( -0.848 -14.352 4.164) 14.967 16.688 ( -6.223 -7.118 -5.502) 10.939 17.177 ( 24.502 12.298 -0.758) 27.426 18.051 ( -14.527 1.137 -12.942) 19.489 19.007 ( 0.693 -1.763 6.340) 6.617 19.375 ( 1.001 5.111 0.119) 5.209 ======================= Grid point 224 (105/251) ======================= q-point: (-0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -6.359 12.217 9.766) 16.884 1.118 ( -2.461 11.319 11.735) 16.490 1.654 ( -7.290 6.394 2.093) 9.920 1.940 ( 1.711 7.524 8.163) 11.233 2.208 ( -3.260 2.775 8.348) 9.382 3.019 ( 2.762 -2.677 -1.577) 4.157 3.087 ( -8.210 0.077 3.517) 8.932 3.449 ( 13.072 1.324 -3.273) 13.541 3.522 ( 1.907 4.319 -0.621) 4.762 3.894 ( -7.315 3.296 5.019) 9.464 3.982 ( -10.739 6.497 0.507) 12.561 4.385 ( 1.824 -12.192 6.200) 13.799 4.783 ( -0.274 0.108 1.226) 1.261 5.158 ( -3.719 1.070 -9.540) 10.295 5.455 ( 8.491 0.288 6.576) 10.744 5.835 ( 4.638 0.114 3.401) 5.752 6.363 ( 4.847 -5.471 2.606) 7.760 6.873 ( -2.540 16.319 0.593) 16.526 7.364 ( 0.660 2.282 -6.389) 6.816 7.505 ( -6.256 -3.917 -8.410) 11.190 10.324 ( -0.903 -0.815 2.319) 2.619 10.643 ( -12.985 0.512 5.513) 14.116 10.916 ( -2.923 4.052 -6.232) 7.987 11.152 ( 7.937 -6.057 3.747) 10.664 12.599 ( 7.159 10.871 2.022) 13.173 12.671 ( -7.748 -11.071 10.854) 17.332 12.890 ( -0.012 -6.581 4.606) 8.032 14.173 ( -3.283 -9.002 1.268) 9.665 14.927 ( -1.514 2.685 4.559) 5.503 15.079 ( 10.241 -14.441 10.642) 20.656 16.232 ( -5.525 -12.933 4.683) 14.823 16.778 ( 1.765 -6.306 -5.422) 8.501 17.137 ( 16.843 10.277 2.160) 19.848 17.840 ( -6.605 8.221 -15.824) 19.016 19.018 ( -2.106 1.219 4.031) 4.708 19.301 ( 2.172 3.775 0.255) 4.363 ======================= Grid point 227 (106/251) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 3.053 0.000 18.540) 18.790 1.244 ( 3.125 0.000 15.858) 16.163 1.718 ( 21.325 0.000 16.975) 27.256 1.771 ( 5.865 0.000 6.358) 8.650 2.062 ( -6.149 -0.000 9.044) 10.936 2.756 ( -11.483 -0.000 -0.341) 11.489 2.932 ( -15.446 -0.000 4.048) 15.967 3.265 ( -0.309 -0.000 0.981) 1.029 3.319 ( -1.867 -0.000 2.336) 2.991 3.662 ( -7.108 -0.000 0.953) 7.172 4.093 ( 8.831 0.000 -14.380) 16.875 4.599 ( 6.758 0.000 -6.008) 9.043 4.682 ( -8.141 -0.000 -0.915) 8.192 5.456 ( 14.803 0.000 -12.121) 19.132 5.805 ( 4.925 0.000 24.286) 24.780 6.164 ( 9.571 0.000 8.232) 12.624 6.182 ( -1.275 -0.000 5.337) 5.488 6.770 ( -2.159 -0.000 4.557) 5.042 7.001 ( -12.263 -0.000 -18.031) 21.806 7.317 ( -6.424 -0.000 0.121) 6.425 10.308 ( -2.646 -0.000 -0.379) 2.673 10.425 ( -5.525 -0.000 9.348) 10.859 10.671 ( -3.228 -0.000 -5.796) 6.634 11.605 ( 5.665 0.000 1.342) 5.822 12.472 ( -0.292 -0.000 9.845) 9.849 12.813 ( 1.284 0.000 -9.953) 10.036 12.995 ( -7.446 -0.000 9.374) 11.971 14.272 ( -2.491 -0.000 -2.014) 3.203 14.851 ( -4.077 -0.000 7.773) 8.777 15.695 ( -6.989 -0.000 -8.980) 11.379 15.858 ( -25.551 -0.000 6.034) 26.254 16.350 ( -10.260 -0.000 3.777) 10.933 17.660 ( 20.197 0.000 1.574) 20.258 17.991 ( 15.492 0.000 -7.626) 17.267 18.858 ( -7.217 -0.000 0.878) 7.270 19.294 ( 2.953 0.000 -2.020) 3.578 ======================= Grid point 228 (107/251) ======================= q-point: ( 0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 2.469 2.923 19.266) 19.642 1.424 ( 2.206 -8.401 9.130) 12.602 1.741 ( 17.188 3.864 8.908) 19.741 2.070 ( -5.221 -4.345 6.627) 9.490 2.106 ( 16.262 -6.120 8.454) 19.323 2.686 ( -10.194 -3.153 0.647) 10.690 2.947 ( -11.166 -9.167 2.192) 14.613 3.179 ( -6.032 2.385 6.108) 8.910 3.414 ( -1.943 -5.754 6.525) 8.914 3.605 ( -4.092 0.599 -2.738) 4.960 4.045 ( 4.513 5.031 -11.982) 13.757 4.565 ( -0.941 2.885 -0.606) 3.095 4.737 ( 0.656 -6.932 -2.805) 7.507 5.355 ( 11.790 14.373 -2.265) 18.727 6.025 ( 5.910 -5.620 12.884) 15.248 6.149 ( 3.884 2.559 8.144) 9.378 6.367 ( 1.986 -10.588 4.198) 11.562 6.708 ( -3.835 4.882 4.213) 7.503 6.834 ( -13.832 0.596 -18.999) 23.508 7.275 ( -4.880 -0.577 1.034) 5.021 10.272 ( -3.108 0.832 0.452) 3.249 10.413 ( -5.021 -0.688 7.465) 9.023 10.668 ( 0.279 -2.913 -6.881) 7.477 11.576 ( 3.363 6.462 0.322) 7.292 12.565 ( -2.447 -7.176 7.607) 10.740 12.749 ( -0.978 6.188 -1.660) 6.481 12.900 ( -5.157 4.611 3.493) 7.750 14.206 ( -2.270 4.361 -0.888) 4.996 14.846 ( -4.715 -1.370 7.387) 8.870 15.349 ( -12.034 13.435 -0.163) 18.038 15.875 ( -11.905 -5.929 -6.175) 14.663 16.362 ( -11.068 -7.939 3.061) 13.960 17.701 ( 18.892 10.190 -0.194) 21.465 18.121 ( 9.132 -3.247 -4.901) 10.861 18.798 ( -8.567 -0.158 1.528) 8.704 19.341 ( 3.055 -2.810 -2.847) 5.034 ======================= Grid point 229 (108/251) ======================= q-point: ( 0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 6.977 -2.130 11.011) 13.209 1.625 ( 2.305 -8.174 3.947) 9.365 1.871 ( 11.346 -1.278 7.271) 13.537 2.138 ( -0.396 -4.921 0.956) 5.029 2.313 ( 15.693 -0.756 4.252) 16.276 2.696 ( -7.715 -2.033 1.297) 8.083 2.968 ( -8.551 -3.471 4.692) 10.352 3.250 ( -10.720 -12.654 4.130) 17.091 3.371 ( -8.466 5.339 -1.430) 10.110 3.686 ( 6.392 -7.509 1.816) 10.027 3.983 ( 0.017 0.275 -2.435) 2.451 4.513 ( -0.989 2.550 3.424) 4.382 4.866 ( -0.196 -6.427 -2.562) 6.922 5.166 ( 9.514 13.568 2.127) 16.708 6.020 ( -1.979 6.328 2.062) 6.943 6.228 ( 8.275 2.305 11.062) 14.006 6.515 ( -2.238 6.936 2.353) 7.658 6.651 ( -5.456 -12.096 2.948) 13.594 6.692 ( -8.073 -2.161 -14.738) 16.943 7.274 ( -2.537 -2.091 2.597) 4.189 10.256 ( -3.481 -2.108 2.867) 4.978 10.413 ( -3.901 -1.336 4.691) 6.246 10.740 ( 4.621 -4.177 -6.901) 9.297 11.447 ( 1.845 8.588 0.331) 8.790 12.533 ( -6.252 11.767 8.862) 16.002 12.712 ( -5.464 -7.737 8.868) 12.975 12.812 ( -1.544 1.522 -8.462) 8.735 14.073 ( -0.960 7.520 -0.133) 7.582 14.889 ( -3.109 -4.642 6.621) 8.663 15.066 ( -9.294 7.590 0.438) 12.008 15.803 ( -6.489 3.311 -5.611) 9.195 16.431 ( -12.105 -7.549 -1.567) 14.352 17.650 ( 18.524 9.590 -1.810) 20.937 18.214 ( 5.900 -1.547 -2.967) 6.783 18.734 ( -10.267 -0.503 3.129) 10.745 19.422 ( 2.480 -3.689 -2.611) 5.156 ======================= Grid point 230 (109/251) ======================= q-point: ( 0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 9.429 -3.345 4.000) 10.775 1.780 ( 1.598 -5.708 0.405) 5.941 1.970 ( 4.109 -0.385 1.858) 4.526 2.233 ( 0.125 -3.417 -2.616) 4.305 2.485 ( 16.768 -2.981 3.215) 17.331 2.609 ( -7.865 0.096 -1.212) 7.958 3.051 ( -4.465 -4.110 1.623) 6.282 3.179 ( -3.936 2.834 0.539) 4.880 3.411 ( -7.256 -8.827 -2.436) 11.683 3.895 ( 3.111 -8.222 4.613) 9.927 4.024 ( -3.711 -5.358 4.002) 7.648 4.446 ( -1.641 5.246 7.052) 8.941 4.943 ( -6.442 -3.235 0.394) 7.219 5.038 ( 11.902 7.884 2.750) 14.539 5.844 ( -3.405 8.654 -1.054) 9.360 6.168 ( -2.448 8.044 1.411) 8.525 6.302 ( -3.479 10.511 7.125) 13.166 6.728 ( 1.987 -5.880 -7.754) 9.932 6.889 ( -3.222 -13.284 3.202) 14.039 7.331 ( 0.311 -3.823 3.953) 5.508 10.326 ( -2.632 -6.560 5.617) 9.028 10.427 ( -2.263 -1.552 3.262) 4.262 10.840 ( 5.849 -2.936 -6.285) 9.074 11.300 ( 1.502 8.014 0.279) 8.158 12.315 ( -6.318 7.711 13.832) 17.050 12.728 ( -1.329 2.728 -7.402) 7.999 12.841 ( -7.984 -8.440 3.525) 12.141 13.928 ( 1.992 7.302 -0.828) 7.614 14.876 ( -5.306 5.444 -1.670) 7.783 15.017 ( -4.078 -8.506 8.119) 12.446 15.634 ( -3.795 8.351 -1.397) 9.278 16.434 ( -10.604 -4.315 -6.868) 13.350 17.637 ( 19.965 7.956 -2.058) 21.590 18.262 ( 1.153 -0.886 -3.237) 3.548 18.682 ( -9.481 -2.032 5.412) 11.104 19.495 ( 1.366 -2.789 -1.728) 3.554 ======================= Grid point 231 (110/251) ======================= q-point: ( 0.60 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 9.039 -0.636 1.024) 9.120 1.877 ( 0.131 -4.046 -1.213) 4.226 1.957 ( 3.349 4.125 -3.189) 6.196 2.175 ( -11.588 2.495 -1.911) 12.006 2.645 ( 3.389 -5.666 -4.888) 8.215 2.730 ( 13.556 -5.034 1.010) 14.495 2.956 ( 6.349 5.170 -11.446) 14.072 3.273 ( -3.177 -7.877 10.066) 13.171 3.462 ( -6.915 -3.944 -2.345) 8.299 4.055 ( 0.386 -2.535 8.316) 8.703 4.107 ( -6.651 -7.365 0.322) 9.929 4.344 ( -1.918 5.632 11.189) 12.673 4.844 ( -8.478 4.588 1.980) 9.841 5.100 ( 10.607 -0.559 2.872) 11.003 5.694 ( -1.987 3.216 0.078) 3.781 5.932 ( -6.686 10.120 -2.248) 12.336 6.138 ( -2.184 7.924 10.228) 13.121 6.850 ( 3.892 -5.818 -6.078) 9.270 7.103 ( -3.549 -10.545 3.889) 11.786 7.438 ( 2.760 -4.521 3.287) 6.234 10.441 ( -2.235 -1.549 3.991) 4.829 10.487 ( -0.085 -7.989 6.509) 10.306 10.882 ( 2.676 0.964 -4.867) 5.637 11.182 ( 1.171 5.121 -0.989) 5.346 12.232 ( -4.715 0.851 15.301) 16.034 12.647 ( -0.078 2.307 -5.658) 6.111 12.939 ( -7.037 -7.256 1.530) 10.223 13.833 ( 3.327 4.611 -1.765) 5.954 14.744 ( -3.649 3.964 0.201) 5.391 15.198 ( -2.939 -10.914 6.761) 13.171 15.437 ( -1.820 9.522 2.156) 9.932 16.416 ( -7.566 -4.449 -8.730) 12.379 17.641 ( 21.471 9.012 -2.168) 23.387 18.216 ( -9.448 1.129 -5.713) 11.098 18.722 ( -2.339 -5.266 8.119) 9.956 19.533 ( -0.049 -0.798 -0.927) 1.224 ======================= Grid point 232 (111/251) ======================= q-point: (-0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 6.859 3.737 1.847) 8.026 1.827 ( 2.804 9.552 -2.690) 10.312 1.955 ( -3.524 -1.785 -0.494) 3.981 2.035 ( -8.473 -0.490 -5.254) 9.982 2.623 ( 6.189 11.319 -9.977) 16.308 2.798 ( 0.524 -2.232 -8.580) 8.881 3.125 ( 21.007 -7.307 0.496) 22.248 3.432 ( -8.652 -10.222 2.439) 13.612 3.483 ( -0.780 -4.057 2.316) 4.737 3.950 ( -7.753 10.018 4.612) 13.481 4.195 ( 0.681 -0.363 6.272) 6.319 4.288 ( -6.149 0.102 10.884) 12.502 4.742 ( -4.495 -0.509 0.522) 4.554 5.163 ( 4.929 2.859 3.284) 6.577 5.688 ( 1.674 -0.413 2.601) 3.120 5.753 ( -2.998 2.080 0.067) 3.649 6.008 ( -3.973 4.999 9.276) 11.261 6.970 ( 2.652 -5.774 -6.719) 9.248 7.250 ( -4.361 -7.126 3.781) 9.170 7.537 ( 2.309 -2.243 -0.108) 3.221 10.441 ( -1.387 1.142 4.700) 5.032 10.664 ( 1.197 -7.430 5.387) 9.255 10.826 ( -2.057 3.315 -2.931) 4.880 11.112 ( -1.130 2.070 -2.944) 3.772 12.263 ( -4.732 -2.458 17.426) 18.223 12.635 ( 2.816 -1.613 -4.068) 5.204 13.000 ( -1.696 -2.480 -1.626) 3.416 13.795 ( -0.511 0.103 -0.190) 0.555 14.689 ( 1.854 0.964 2.932) 3.601 15.258 ( -1.283 8.457 6.229) 10.581 15.426 ( -2.858 -13.302 3.261) 13.991 16.442 ( -3.687 -5.604 -7.769) 10.264 17.624 ( 20.841 10.466 -1.498) 23.369 18.064 ( -14.809 1.229 -8.364) 17.052 18.858 ( 1.826 -5.655 8.751) 10.578 19.517 ( -1.542 1.579 -0.566) 2.278 ======================= Grid point 233 (112/251) ======================= q-point: (-0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.804 11.220 3.842) 11.887 1.624 ( 3.423 13.132 -0.605) 13.584 1.851 ( -7.527 3.132 -2.105) 8.420 2.070 ( 0.210 -3.554 -4.999) 6.138 2.389 ( 4.610 12.574 -7.252) 15.230 2.815 ( -1.079 -2.463 -7.054) 7.550 3.410 ( 19.684 -3.108 2.828) 20.127 3.455 ( -6.041 1.994 5.323) 8.295 3.621 ( -6.811 -2.045 -6.657) 9.741 3.744 ( 0.242 -2.462 8.342) 8.701 4.137 ( -2.783 5.651 4.651) 7.830 4.294 ( -5.964 -1.123 11.481) 12.987 4.727 ( -4.587 0.771 0.020) 4.651 5.147 ( 5.265 0.398 0.024) 5.280 5.660 ( -1.851 6.775 5.294) 8.795 5.765 ( 2.501 -2.671 2.233) 4.286 6.032 ( -0.154 -7.245 8.169) 10.920 7.064 ( 0.236 -4.397 -7.330) 8.551 7.331 ( -4.903 -4.524 2.776) 7.226 7.528 ( -1.082 3.240 -6.121) 7.009 10.404 ( -0.107 3.170 4.442) 5.458 10.705 ( -6.350 3.246 -0.822) 7.179 10.837 ( 1.687 -6.423 3.892) 7.697 11.056 ( -2.802 0.900 -4.152) 5.089 12.335 ( -7.407 -4.819 19.969) 21.837 12.717 ( 4.656 -4.170 -4.134) 7.494 12.983 ( 4.560 4.987 -2.868) 7.341 13.832 ( -4.924 -6.160 2.600) 8.304 14.760 ( 6.756 -3.334 5.679) 9.434 15.118 ( -1.523 6.691 5.788) 8.977 15.679 ( -4.328 -14.903 3.064) 15.818 16.527 ( 1.491 -6.335 -6.095) 8.917 17.553 ( 10.445 10.735 0.680) 14.993 17.926 ( -6.131 0.276 -12.185) 13.643 18.986 ( 1.369 -3.336 7.923) 8.705 19.451 ( -2.142 3.239 -0.403) 3.904 ======================= Grid point 234 (113/251) ======================= q-point: (-0.10 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -4.477 16.879 2.424) 17.630 1.402 ( 4.603 13.764 5.026) 15.359 1.737 ( -1.450 5.254 -0.544) 5.478 2.082 ( 1.163 2.951 0.933) 3.307 2.243 ( 0.934 3.509 -1.026) 3.774 2.856 ( -1.582 -5.173 -6.105) 8.156 3.259 ( -5.933 11.111 10.358) 16.307 3.552 ( 6.417 -0.612 -3.552) 7.360 3.606 ( 7.047 1.738 1.613) 7.435 3.857 ( -8.511 -0.973 3.586) 9.287 4.034 ( -4.106 3.054 -0.209) 5.122 4.277 ( -0.104 -0.653 9.748) 9.770 4.704 ( -3.174 -4.579 -0.302) 5.579 5.185 ( 1.974 3.117 -4.302) 5.668 5.557 ( 4.208 2.189 8.769) 9.970 5.855 ( 3.808 -2.322 3.612) 5.740 6.243 ( 2.484 -10.072 6.519) 12.253 7.061 ( -2.512 4.007 -4.212) 6.333 7.353 ( -8.429 -1.629 -7.821) 11.613 7.391 ( -1.954 3.402 -4.932) 6.302 10.355 ( 0.881 3.035 3.040) 4.385 10.584 ( -10.157 2.141 4.216) 11.203 10.915 ( -3.118 0.428 -4.197) 5.246 11.086 ( 4.126 -6.427 1.667) 7.818 12.443 ( -10.315 -8.106 20.337) 24.201 12.821 ( 3.755 -4.021 -4.466) 7.086 12.874 ( 6.431 10.077 -0.370) 11.960 13.961 ( -4.437 -10.079 2.526) 11.298 14.936 ( 4.750 -5.926 5.583) 9.426 15.020 ( -0.440 2.469 7.745) 8.141 15.922 ( -7.617 -14.147 2.576) 16.273 16.680 ( 8.412 -7.204 -4.707) 12.034 17.382 ( -5.737 9.181 1.519) 10.933 17.889 ( 9.972 2.026 -14.278) 17.533 19.029 ( -2.710 0.505 5.631) 6.269 19.377 ( -0.061 3.036 0.428) 3.067 ======================= Grid point 238 (114/251) ======================= q-point: ( 0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -0.910 -0.000 15.465) 15.492 1.350 ( 0.273 0.000 15.900) 15.902 1.951 ( 10.912 0.000 8.300) 13.709 1.961 ( -5.682 -0.000 10.125) 11.611 2.275 ( 28.623 0.000 7.515) 29.593 2.573 ( -9.579 -0.000 -0.501) 9.592 2.752 ( -10.469 -0.000 5.976) 12.055 3.234 ( -9.634 -0.000 10.392) 14.171 3.326 ( 0.667 0.000 3.848) 3.905 3.575 ( -1.077 -0.000 -1.930) 2.210 4.083 ( 0.646 0.000 -16.527) 16.539 4.565 ( -6.492 -0.000 3.839) 7.542 4.691 ( 7.932 0.000 -4.761) 9.251 5.624 ( 13.665 0.000 -12.631) 18.609 6.000 ( 1.403 0.000 25.588) 25.627 6.165 ( -4.659 -0.000 6.135) 7.703 6.354 ( 9.276 0.000 5.042) 10.557 6.663 ( -15.590 -0.000 -19.274) 24.789 6.739 ( -3.873 -0.000 2.151) 4.431 7.232 ( -3.981 -0.000 0.875) 4.076 10.265 ( -1.960 -0.000 -1.192) 2.294 10.377 ( -6.431 -0.000 7.450) 9.841 10.626 ( 2.860 0.000 -7.835) 8.340 11.662 ( 1.550 0.000 -2.170) 2.667 12.481 ( -5.302 -0.000 5.183) 7.414 12.769 ( 0.327 0.000 -10.694) 10.699 12.959 ( -3.770 -0.000 13.604) 14.116 14.225 ( -2.264 -0.000 -0.455) 2.309 14.807 ( -6.751 -0.000 7.799) 10.315 15.491 ( -10.156 -0.000 -10.095) 14.320 15.545 ( -16.090 -0.000 1.434) 16.154 16.252 ( -3.982 -0.000 1.148) 4.144 17.976 ( 17.008 0.000 2.074) 17.134 18.112 ( 4.850 0.000 -4.077) 6.337 18.728 ( -8.879 -0.000 0.353) 8.886 19.325 ( 2.906 0.000 -4.635) 5.471 ======================= Grid point 239 (115/251) ======================= q-point: ( 0.40 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 1.262 0.347 15.866) 15.920 1.472 ( -1.720 -7.556 8.589) 11.568 1.950 ( -0.452 -1.526 7.301) 7.472 2.091 ( 6.952 -1.230 6.002) 9.267 2.498 ( 18.214 0.739 10.339) 20.957 2.573 ( -0.103 -4.624 0.251) 4.632 2.787 ( -9.400 -8.047 2.956) 12.722 3.093 ( -11.406 3.325 10.618) 15.934 3.370 ( -3.401 0.347 2.333) 4.139 3.628 ( 6.403 -4.664 -0.017) 7.922 3.996 ( -1.993 2.458 -11.165) 11.605 4.530 ( -3.669 0.341 5.187) 6.363 4.780 ( 5.308 -3.538 -3.033) 7.063 5.508 ( 8.259 13.994 -3.459) 16.613 6.099 ( -2.899 3.660 3.053) 5.578 6.238 ( -1.332 -10.190 15.933) 18.960 6.454 ( -1.548 -2.094 -2.805) 3.828 6.514 ( -3.831 -3.543 -11.593) 12.713 6.659 ( -4.745 4.981 2.126) 7.200 7.225 ( -1.775 -1.443 1.825) 2.927 10.232 ( -1.800 0.982 0.057) 2.051 10.363 ( -4.972 -1.438 6.023) 7.942 10.679 ( 5.675 -4.025 -8.550) 11.023 11.595 ( -0.202 5.923 -2.598) 6.470 12.480 ( -9.277 -4.198 -1.299) 10.266 12.739 ( 0.406 0.519 -6.867) 6.898 12.876 ( -2.787 9.367 15.245) 18.108 14.171 ( -1.555 3.877 0.256) 4.185 14.795 ( -6.801 -2.794 8.015) 10.877 15.164 ( -8.668 10.805 -3.756) 14.353 15.649 ( -10.003 -9.654 -8.888) 16.500 16.256 ( -4.255 -3.022 1.015) 5.317 17.959 ( 12.594 9.197 -1.374) 15.655 18.218 ( 5.802 -3.009 -0.189) 6.538 18.656 ( -9.429 -0.012 1.412) 9.534 19.361 ( 2.045 -2.859 -5.331) 6.385 ======================= Grid point 240 (116/251) ======================= q-point: ( 0.50 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 5.060 -3.791 8.432) 10.539 1.636 ( -3.171 -8.917 4.637) 10.539 2.003 ( -0.928 -1.668 4.311) 4.714 2.180 ( 7.153 -2.710 -0.429) 7.661 2.536 ( -10.664 4.142 3.925) 12.094 2.671 ( 16.806 1.448 5.358) 17.698 2.881 ( -3.228 -8.936 6.294) 11.397 3.109 ( -9.497 -8.251 6.561) 14.189 3.294 ( 0.645 3.384 -3.451) 4.876 3.799 ( 6.099 -5.856 0.971) 8.511 3.949 ( -2.749 -1.761 -0.611) 3.321 4.513 ( -2.386 1.269 7.331) 7.813 4.862 ( 0.294 -2.337 -0.305) 2.375 5.304 ( 6.528 11.470 0.058) 13.198 5.949 ( -6.751 7.103 -2.449) 10.101 6.225 ( -10.469 3.678 -6.814) 13.021 6.484 ( -3.330 8.662 6.070) 11.089 6.604 ( 0.566 -12.366 5.377) 13.496 6.665 ( 5.836 -6.770 -0.479) 8.951 7.272 ( 0.696 -3.307 2.874) 4.436 10.233 ( -1.443 -2.615 3.220) 4.392 10.385 ( -1.989 -2.176 4.679) 5.530 10.800 ( 7.254 -4.824 -8.326) 12.050 11.451 ( -0.848 7.442 -1.809) 7.706 12.431 ( -7.739 2.435 -2.722) 8.558 12.705 ( -5.128 3.156 19.010) 19.941 12.735 ( -1.865 1.535 -8.783) 9.109 14.066 ( 0.261 6.132 -0.227) 6.142 14.847 ( -8.993 -4.993 8.527) 13.360 14.945 ( -2.240 5.087 -4.273) 7.011 15.665 ( -4.980 -1.199 -8.185) 9.656 16.275 ( -6.102 -2.934 -2.254) 7.136 17.912 ( 14.853 6.244 -1.894) 16.223 18.271 ( 1.390 0.892 -0.434) 1.708 18.594 ( -7.927 -0.956 4.099) 8.975 19.425 ( 0.403 -3.924 -4.852) 6.253 ======================= Grid point 241 (117/251) ======================= q-point: (-0.40 -0.70 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 6.390 -4.177 2.754) 8.115 1.769 ( -2.845 -6.567 1.003) 7.227 2.009 ( -3.884 -0.061 1.689) 4.235 2.203 ( 0.455 7.757 -3.417) 8.489 2.455 ( -4.436 -9.264 -2.671) 10.613 2.801 ( 10.271 -0.825 6.019) 11.933 3.036 ( 4.893 -2.334 -1.211) 5.554 3.160 ( -1.538 -3.552 6.841) 7.860 3.325 ( -0.723 -5.294 -1.451) 5.537 3.932 ( -0.095 -5.724 -0.700) 5.767 4.002 ( -2.108 -4.329 5.763) 7.509 4.462 ( -2.886 4.628 9.546) 10.994 4.845 ( -5.432 2.237 2.749) 6.486 5.228 ( 9.078 3.334 2.012) 9.878 5.748 ( -5.750 6.068 -4.681) 9.581 6.014 ( -10.851 6.906 -6.736) 14.519 6.304 ( -4.317 8.569 9.064) 13.199 6.798 ( 8.731 -3.877 -2.073) 9.775 6.886 ( -0.660 -11.628 6.778) 13.476 7.375 ( 2.501 -4.864 3.133) 6.303 10.330 ( -1.233 -6.782 5.580) 8.869 10.437 ( 1.315 -2.302 5.216) 5.851 10.900 ( 5.902 -1.446 -7.295) 9.494 11.301 ( -0.703 6.931 -1.799) 7.195 12.296 ( -4.180 5.250 9.288) 11.459 12.668 ( -0.862 1.250 -7.234) 7.392 12.728 ( -9.126 -6.038 7.988) 13.548 13.955 ( 2.208 6.007 -2.298) 6.800 14.764 ( -7.745 2.666 1.255) 8.286 15.008 ( -1.182 -7.862 2.871) 8.453 15.583 ( -1.034 5.455 -1.432) 5.734 16.266 ( -4.911 -3.133 -7.733) 9.682 17.936 ( 17.302 5.488 -1.621) 18.224 18.183 ( -8.805 4.371 -2.778) 10.216 18.630 ( -0.780 -4.932 7.465) 8.981 19.479 ( -1.542 -3.202 -3.798) 5.201 ======================= Grid point 242 (118/251) ======================= q-point: (-0.30 -0.70 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 5.945 -0.904 1.919) 6.312 1.849 ( -2.697 -4.343 -0.944) 5.199 1.946 ( -11.312 0.286 -0.757) 11.341 2.042 ( 6.568 8.516 -4.159) 11.531 2.638 ( 1.233 -8.998 -8.294) 12.300 2.838 ( 2.673 3.684 -5.523) 7.157 3.109 ( 4.310 -3.754 -0.432) 5.732 3.278 ( 5.949 -4.821 5.569) 9.469 3.422 ( 1.955 -3.973 3.357) 5.557 3.980 ( -6.624 -1.327 1.095) 6.844 4.114 ( -1.114 -6.076 6.504) 8.970 4.348 ( -5.079 6.037 8.057) 11.276 4.747 ( -3.692 3.432 4.582) 6.812 5.280 ( 7.952 1.698 4.184) 9.144 5.649 ( -3.088 -0.758 -0.749) 3.266 5.787 ( -8.000 5.137 -4.820) 10.659 6.135 ( -5.020 8.093 9.691) 13.588 6.912 ( 6.857 -2.472 -4.204) 8.414 7.089 ( -1.225 -8.350 5.944) 10.323 7.494 ( 2.055 -4.089 1.994) 4.992 10.436 ( -1.273 -2.739 4.272) 5.232 10.556 ( 3.386 -6.426 8.138) 10.908 10.891 ( 1.870 3.833 -5.192) 6.719 11.167 ( -1.304 5.512 -2.984) 6.402 12.250 ( -3.819 0.218 14.765) 15.252 12.629 ( 1.622 0.421 -5.363) 5.619 12.831 ( -7.121 -9.479 2.694) 12.158 13.853 ( 1.031 5.316 -3.681) 6.548 14.699 ( -2.943 -0.281 2.656) 3.974 15.178 ( -2.418 -10.608 1.797) 11.027 15.445 ( 0.604 8.926 4.979) 10.238 16.299 ( -0.150 -5.414 -9.451) 10.893 17.905 ( -2.736 7.381 -1.553) 8.023 18.023 ( 5.176 5.021 -4.914) 8.726 18.782 ( 2.918 -6.675 8.921) 11.518 19.493 ( -3.406 -1.296 -2.786) 4.587 ======================= Grid point 243 (119/251) ======================= q-point: (-0.20 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -0.682 6.039 4.795) 7.741 1.815 ( -5.240 2.442 -3.926) 6.988 1.885 ( 3.131 4.131 1.172) 5.314 1.987 ( 5.185 -0.659 -7.673) 9.284 2.665 ( 5.432 13.092 -10.666) 17.739 2.732 ( -2.276 -3.425 -7.493) 8.547 3.252 ( -9.283 -12.960 -4.310) 16.514 3.489 ( 4.177 -2.873 0.047) 5.070 3.511 ( 14.711 -3.788 8.426) 17.372 3.886 ( -3.710 6.534 7.624) 10.704 4.174 ( -11.337 0.166 3.240) 11.792 4.243 ( 0.115 0.573 6.059) 6.087 4.726 ( -0.269 -0.071 5.434) 5.441 5.247 ( 3.000 5.978 2.269) 7.063 5.673 ( -6.333 -3.349 3.956) 8.183 5.753 ( 3.454 -2.976 0.167) 4.562 5.991 ( -4.101 3.521 8.834) 10.356 6.982 ( 3.391 -2.200 -6.946) 8.037 7.218 ( -1.922 -5.043 4.184) 6.829 7.542 ( -1.258 0.294 -0.741) 1.489 10.459 ( -0.116 0.752 5.088) 5.144 10.736 ( 3.296 -6.659 6.380) 9.793 10.771 ( -2.281 6.715 -2.956) 7.683 11.056 ( -2.765 3.164 -3.944) 5.763 12.273 ( -6.349 -1.640 17.766) 18.937 12.664 ( 3.209 -3.151 -4.419) 6.305 12.968 ( -0.782 -7.144 -1.318) 7.306 13.762 ( -2.478 2.055 -1.174) 3.427 14.744 ( 1.459 -3.630 4.070) 5.645 15.288 ( 0.720 9.093 5.903) 10.864 15.383 ( -4.113 -12.500 2.645) 13.422 16.417 ( 5.960 -6.796 -7.263) 11.596 17.662 ( -17.619 6.006 -3.448) 18.931 18.015 ( 16.864 5.714 -5.375) 18.599 18.946 ( 2.278 -4.844 8.672) 10.191 19.460 ( -4.036 0.657 -1.743) 4.445 ======================= Grid point 244 (120/251) ======================= q-point: (-0.10 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -6.630 13.319 1.131) 14.921 1.692 ( 5.205 9.932 -2.500) 11.488 1.842 ( 6.062 4.770 3.089) 8.309 2.052 ( 1.724 -3.747 -5.785) 7.105 2.417 ( 3.209 11.949 -6.297) 13.883 2.758 ( -1.142 -2.964 -5.561) 6.405 3.373 ( -6.875 -2.738 1.455) 7.542 3.426 ( -9.075 -1.237 -4.723) 10.305 3.736 ( 10.400 2.374 6.001) 12.240 3.850 ( 8.810 -0.673 5.633) 10.478 4.037 ( -9.465 1.791 1.846) 9.808 4.294 ( -0.433 -1.828 8.629) 8.831 4.672 ( -3.391 4.540 2.035) 6.021 5.231 ( 3.201 -0.172 -0.451) 3.237 5.634 ( -3.804 2.437 8.191) 9.354 5.848 ( 4.957 -2.738 3.118) 6.465 6.078 ( -0.068 -9.840 7.708) 12.500 7.011 ( -0.904 -2.058 -9.579) 9.840 7.269 ( -3.839 -1.280 0.773) 4.120 7.449 ( -4.691 5.600 -2.740) 7.802 10.442 ( 1.163 2.779 4.655) 5.545 10.602 ( -5.865 6.396 0.599) 8.699 10.874 ( 0.300 -2.622 0.301) 2.656 11.009 ( 0.185 -2.826 -0.869) 2.963 12.310 ( -9.016 -3.607 19.078) 21.407 12.752 ( 2.595 -4.402 -5.122) 7.235 13.036 ( 3.501 1.720 -2.378) 4.568 13.767 ( -3.981 -5.880 2.158) 7.422 14.864 ( 1.752 -5.760 4.201) 7.341 15.144 ( -0.335 7.870 8.240) 11.399 15.603 ( -5.729 -13.717 1.102) 14.906 16.608 ( 11.072 -7.379 -4.492) 14.043 17.403 ( -17.520 4.811 -3.790) 18.560 18.036 ( 16.560 4.470 -7.410) 18.685 19.022 ( -3.104 -0.660 6.483) 7.218 19.414 ( -0.953 1.143 0.152) 1.496 ======================= Grid point 249 (121/251) ======================= q-point: ( 0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -6.196 -0.000 14.231) 15.522 1.443 ( 0.886 0.000 13.330) 13.359 1.914 ( -6.504 -0.000 9.912) 11.855 2.186 ( 11.314 0.000 6.421) 13.009 2.461 ( -4.226 -0.000 2.127) 4.731 2.612 ( -3.074 -0.000 1.162) 3.286 2.780 ( 16.158 0.000 15.939) 22.697 3.063 ( -17.012 -0.000 10.373) 19.926 3.399 ( 8.057 0.000 -0.473) 8.071 3.624 ( 6.182 0.000 1.447) 6.349 3.951 ( -5.788 -0.000 -12.053) 13.371 4.518 ( -2.976 -0.000 6.117) 6.802 4.793 ( 7.102 0.000 -3.036) 7.724 5.730 ( 7.366 0.000 -12.728) 14.706 6.088 ( -9.321 -0.000 16.330) 18.803 6.142 ( -0.124 -0.000 10.990) 10.991 6.295 ( -15.745 -0.000 -18.946) 24.635 6.524 ( 9.443 0.000 0.980) 9.493 6.676 ( -4.987 -0.000 2.135) 5.424 7.211 ( 0.592 0.000 2.454) 2.524 10.239 ( 0.089 0.000 -1.765) 1.767 10.326 ( -4.079 -0.000 7.362) 8.417 10.654 ( 6.030 0.000 -10.266) 11.906 11.632 ( -2.393 -0.000 -5.612) 6.101 12.357 ( -10.162 -0.000 -0.923) 10.204 12.699 ( -0.992 -0.000 -12.220) 12.260 13.031 ( 0.487 0.000 19.190) 19.197 14.201 ( -0.757 -0.000 1.189) 1.409 14.726 ( -8.347 -0.000 8.274) 11.753 15.291 ( -6.141 -0.000 -11.206) 12.779 15.336 ( -9.407 -0.000 -3.047) 9.888 16.215 ( -1.126 -0.000 -0.593) 1.272 18.140 ( 1.300 0.000 -1.330) 1.860 18.219 ( 10.938 0.000 0.589) 10.954 18.589 ( -7.735 -0.000 1.343) 7.851 19.330 ( 1.587 0.000 -6.927) 7.106 ======================= Grid point 250 (122/251) ======================= q-point: (-0.50 -0.60 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -5.587 -5.801 13.621) 15.824 1.499 ( 0.343 -2.545 8.143) 8.539 1.916 ( -6.547 -3.205 6.912) 10.046 2.244 ( 4.987 2.142 2.391) 5.931 2.525 ( -2.920 -1.948 5.484) 6.511 2.627 ( -5.164 -6.555 2.919) 8.841 2.928 ( 6.194 2.151 11.304) 13.068 2.953 ( -5.434 -2.707 14.050) 15.305 3.406 ( 9.282 5.733 -4.561) 11.825 3.759 ( 8.404 -5.269 1.544) 10.038 3.878 ( -6.100 -1.099 -4.939) 7.925 4.520 ( -1.871 -0.083 7.077) 7.320 4.852 ( 4.810 -0.980 -1.228) 5.060 5.571 ( 2.212 12.561 -4.534) 13.536 5.981 ( -11.603 4.749 -6.055) 13.923 6.146 ( -8.988 0.262 -6.838) 11.297 6.335 ( -4.541 -13.765 6.780) 16.002 6.604 ( -3.248 3.659 6.437) 8.085 6.642 ( 9.409 -3.627 -0.240) 10.086 7.248 ( 2.988 -1.456 3.062) 4.520 10.221 ( 0.661 1.041 -0.230) 1.254 10.345 ( -1.219 -1.984 7.061) 7.435 10.731 ( 6.828 -5.161 -10.542) 13.579 11.543 ( -3.334 4.441 -5.522) 7.831 12.298 ( -9.872 -3.001 -4.549) 11.276 12.673 ( -0.950 -1.578 -12.138) 12.277 12.964 ( -0.618 12.351 22.403) 25.590 14.165 ( 0.462 3.838 1.209) 4.050 14.717 ( -8.263 -3.389 8.365) 12.237 15.037 ( -3.398 8.570 -6.317) 11.176 15.470 ( -5.047 -10.648 -10.235) 15.608 16.213 ( -1.484 -0.598 -0.699) 1.746 18.094 ( 6.104 4.076 -1.303) 7.455 18.292 ( 0.113 0.017 -0.735) 0.744 18.549 ( -2.609 -0.071 3.864) 4.663 19.344 ( 0.234 -2.553 -7.330) 7.765 ======================= Grid point 251 (123/251) ======================= q-point: (-0.40 -0.60 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 0.839 -6.652 8.137) 10.543 1.592 ( -4.263 -6.933 3.270) 8.771 1.934 ( -8.827 -2.202 2.778) 9.512 2.263 ( -5.213 -4.379 1.563) 6.985 2.389 ( 1.117 8.558 -2.119) 8.886 2.800 ( -1.747 -6.466 6.689) 9.466 2.964 ( -3.188 -5.320 9.637) 11.460 3.115 ( 6.632 -5.390 11.895) 14.646 3.360 ( 11.840 5.299 -4.776) 13.823 3.876 ( -0.027 -2.747 -2.443) 3.676 3.902 ( -0.206 -4.173 3.763) 5.623 4.511 ( -3.832 1.454 7.896) 8.896 4.878 ( 1.506 1.613 2.641) 3.442 5.378 ( 2.936 7.409 -0.664) 7.998 5.773 ( -9.990 4.373 -10.173) 14.914 6.008 ( -9.463 4.451 -7.288) 12.747 6.402 ( -7.974 3.262 3.806) 9.419 6.694 ( 1.650 -10.820 11.595) 15.945 6.804 ( 10.475 -4.288 -0.389) 11.325 7.330 ( 4.291 -3.056 2.882) 6.005 10.242 ( 0.392 -2.845 2.469) 3.788 10.417 ( 2.135 -2.993 6.986) 7.894 10.868 ( 7.119 -5.082 -9.371) 12.819 11.403 ( -2.838 5.680 -3.935) 7.470 12.283 ( -6.373 -3.760 -6.736) 10.007 12.657 ( -0.768 0.004 -10.252) 10.281 12.752 ( -4.575 11.660 24.631) 27.633 14.080 ( 1.820 5.808 -0.560) 6.112 14.715 ( -10.695 -0.715 6.137) 12.351 14.927 ( 1.462 -0.410 -3.848) 4.136 15.573 ( 0.041 -4.939 -8.458) 9.795 16.194 ( -2.345 0.303 -2.933) 3.767 18.105 ( 7.378 2.194 -1.052) 7.769 18.205 ( -6.050 3.845 -1.753) 7.380 18.587 ( 3.264 -2.038 6.441) 7.503 19.380 ( -1.914 -3.654 -6.651) 7.826 ======================= Grid point 252 (124/251) ======================= q-point: (-0.30 -0.60 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.635 -4.526 1.217) 4.729 1.714 ( -3.299 -7.485 1.662) 8.347 1.859 ( -12.307 0.117 2.562) 12.572 2.224 ( 1.988 4.374 -2.464) 5.399 2.429 ( 3.437 -8.167 -5.759) 10.568 2.835 ( -4.035 -0.947 0.970) 4.257 3.063 ( -4.334 -2.748 4.149) 6.600 3.316 ( 10.096 -5.268 7.881) 13.848 3.407 ( 11.715 -0.640 3.574) 12.265 3.903 ( -1.195 -1.045 -5.573) 5.795 3.991 ( -4.486 -6.360 8.401) 11.452 4.429 ( -7.159 4.720 6.547) 10.789 4.832 ( 0.641 4.717 6.778) 8.282 5.346 ( 3.736 -0.069 2.448) 4.467 5.632 ( -3.242 1.353 -7.813) 8.566 5.792 ( -10.973 6.495 -7.456) 14.771 6.258 ( -6.808 6.614 8.195) 12.540 6.915 ( 3.013 -5.805 3.688) 7.508 6.973 ( 8.899 -5.524 3.335) 10.992 7.440 ( 3.423 -3.927 2.371) 5.724 10.342 ( -0.593 -5.925 4.066) 7.210 10.530 ( 4.908 -3.516 7.919) 9.958 10.946 ( 5.010 0.324 -7.748) 9.232 11.262 ( -2.123 6.072 -3.194) 7.182 12.281 ( -1.954 0.325 3.334) 3.878 12.610 ( -4.260 -1.658 1.733) 4.889 12.665 ( -3.133 0.098 6.362) 7.092 13.971 ( 1.755 6.713 -3.468) 7.757 14.650 ( -8.044 -0.781 4.352) 9.180 15.008 ( 0.816 -6.303 -1.552) 6.543 15.597 ( 3.353 3.202 0.133) 4.638 16.187 ( 0.772 -3.340 -8.032) 8.733 17.929 ( -16.008 7.755 -2.224) 17.926 18.217 ( 14.658 2.779 -1.981) 15.050 18.715 ( 4.642 -5.534 8.460) 11.124 19.405 ( -4.095 -3.163 -5.346) 7.440 ======================= Grid point 253 (125/251) ======================= q-point: (-0.20 -0.60 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -10.095 -1.087 2.846) 10.545 1.776 ( -0.622 -3.317 -3.756) 5.049 1.846 ( 0.762 -2.839 1.850) 3.473 2.163 ( 9.887 6.360 -4.413) 12.557 2.584 ( -2.075 -7.737 -8.849) 11.936 2.825 ( -0.822 0.090 -4.754) 4.825 3.011 ( -6.604 0.501 -4.621) 8.076 3.496 ( 6.097 -1.835 3.401) 7.219 3.566 ( 13.662 -4.325 10.792) 17.939 3.893 ( -4.980 -1.890 0.946) 5.410 4.095 ( -5.066 -4.142 6.351) 9.119 4.275 ( -7.205 4.633 3.417) 9.222 4.781 ( 2.131 3.348 8.503) 9.383 5.391 ( 2.943 3.151 2.856) 5.172 5.553 ( -8.925 0.184 -0.768) 8.960 5.678 ( -0.328 -4.622 -5.058) 6.859 6.094 ( -6.009 7.215 9.032) 13.029 6.997 ( 5.002 0.079 -2.258) 5.488 7.145 ( 4.703 -4.664 4.631) 8.082 7.522 ( 0.161 -1.742 1.503) 2.307 10.443 ( -1.059 -3.519 4.306) 5.661 10.671 ( 4.061 -4.526 7.733) 9.837 10.895 ( 3.013 5.743 -5.046) 8.217 11.116 ( -2.542 6.093 -3.269) 7.367 12.267 ( -4.643 0.883 15.683) 16.379 12.630 ( 1.725 -1.412 -5.650) 6.074 12.761 ( -2.644 -10.670 3.268) 11.468 13.836 ( -0.032 6.674 -3.659) 7.612 14.665 ( -4.098 -4.468 4.495) 7.547 15.151 ( -0.565 -8.915 -1.684) 9.090 15.506 ( 2.374 9.157 6.636) 11.555 16.312 ( 8.240 -7.975 -8.703) 14.396 17.620 ( -19.731 7.727 -3.620) 21.498 18.252 ( 14.872 5.387 -2.718) 16.049 18.890 ( 3.236 -5.727 8.693) 10.901 19.403 ( -4.664 -1.920 -3.508) 6.144 ======================= Grid point 254 (126/251) ======================= q-point: (-0.10 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -8.612 5.507 0.265) 10.226 1.820 ( 3.145 0.705 -2.472) 4.062 1.909 ( 0.961 -2.711 -0.511) 2.922 2.119 ( 13.047 6.524 -3.293) 14.955 2.594 ( -5.580 2.650 -7.543) 9.750 2.729 ( 5.020 5.193 -7.722) 10.573 3.059 ( -8.641 -12.207 -9.532) 17.735 3.477 ( -2.048 5.183 1.395) 5.745 3.834 ( 11.634 -7.338 10.807) 17.492 3.901 ( -2.637 -0.653 10.030) 10.392 4.004 ( -6.011 5.839 -0.772) 8.416 4.269 ( -1.182 -3.515 4.892) 6.139 4.764 ( 0.481 4.104 6.232) 7.477 5.262 ( -2.437 4.368 -1.363) 5.184 5.602 ( -4.540 -4.262 6.699) 9.146 5.806 ( 2.362 -7.373 -0.177) 7.744 5.981 ( -2.991 1.090 8.655) 9.222 6.993 ( 2.272 1.970 -6.307) 6.987 7.244 ( 2.687 -1.248 2.616) 3.952 7.496 ( -4.076 3.282 0.629) 5.271 10.481 ( -0.901 -0.185 4.945) 5.030 10.704 ( -3.759 5.631 -0.320) 6.778 10.855 ( 6.627 -0.795 2.498) 7.127 10.994 ( -1.991 2.644 -2.300) 4.031 12.259 ( -7.611 -0.272 18.158) 19.690 12.675 ( 1.202 -3.442 -5.032) 6.214 12.971 ( 2.077 -9.181 -1.202) 9.489 13.723 ( -1.195 3.004 -0.322) 3.249 14.759 ( -2.350 -6.269 3.443) 7.528 15.325 ( -0.712 -9.486 -2.941) 9.957 15.350 ( -1.121 8.741 10.575) 13.766 16.547 ( 13.678 -8.352 -5.176) 16.842 17.323 ( -18.799 4.794 -5.326) 20.119 18.246 ( 13.135 5.878 -3.990) 14.933 18.989 ( -3.779 -1.774 6.360) 7.608 19.404 ( -0.567 -1.514 -0.305) 1.645 ======================= Grid point 260 (127/251) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -9.837 -0.000 14.066) 17.165 1.518 ( -0.917 -0.000 10.788) 10.827 1.853 ( -8.065 -0.000 10.581) 13.305 2.295 ( -1.720 -0.000 -0.057) 1.720 2.507 ( 5.778 0.000 8.268) 10.087 2.546 ( -5.506 -0.000 4.554) 7.145 2.858 ( -11.991 -0.000 6.631) 13.703 3.045 ( 2.788 0.000 19.824) 20.019 3.588 ( 15.342 0.000 -8.002) 17.304 3.763 ( 8.199 0.000 4.789) 9.495 3.802 ( -4.850 -0.000 -3.375) 5.909 4.534 ( 0.551 0.000 6.301) 6.325 4.884 ( 5.385 0.000 -0.714) 5.432 5.696 ( -3.520 -0.000 -13.108) 13.572 5.961 ( -11.189 -0.000 -18.122) 21.298 6.000 ( -8.660 -0.000 8.173) 11.907 6.157 ( -5.495 -0.000 6.328) 8.381 6.620 ( -4.773 -0.000 7.707) 9.065 6.680 ( 10.097 0.000 -1.602) 10.223 7.280 ( 5.342 0.000 3.658) 6.475 10.254 ( 2.851 0.000 -1.266) 3.119 10.342 ( 0.550 0.000 8.521) 8.539 10.689 ( 5.862 0.000 -12.038) 13.389 11.526 ( -5.504 -0.000 -8.520) 10.144 12.184 ( -8.499 -0.000 -3.622) 9.239 12.611 ( -0.378 -0.000 -13.214) 13.219 13.170 ( 1.803 0.000 22.692) 22.764 14.221 ( 2.126 0.000 2.231) 3.082 14.641 ( -7.615 -0.000 8.533) 11.437 15.178 ( 0.125 0.000 -11.543) 11.544 15.191 ( -5.810 -0.000 -5.538) 8.027 16.202 ( 0.211 0.000 -1.763) 1.776 18.157 ( 1.646 0.000 0.059) 1.647 18.263 ( -5.478 -0.000 -2.908) 6.202 18.572 ( 4.446 0.000 4.515) 6.336 19.298 ( -0.090 -0.000 -8.591) 8.592 ======================= Grid point 261 (128/251) ======================= q-point: (-0.40 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -8.818 -8.661 11.719) 17.032 1.537 ( -3.425 -1.458 8.303) 9.099 1.833 ( -7.403 -1.428 6.923) 10.236 2.204 ( -11.124 3.632 3.691) 12.271 2.499 ( -0.294 1.748 1.430) 2.277 2.667 ( 2.616 -7.308 6.411) 10.067 2.849 ( -4.583 -4.560 7.254) 9.717 3.122 ( -0.028 -1.808 16.739) 16.836 3.596 ( 12.289 5.635 -2.283) 13.711 3.772 ( -3.565 -1.108 2.946) 4.755 3.906 ( 9.003 -2.624 -1.334) 9.472 4.537 ( -1.082 2.178 5.602) 6.107 4.928 ( 4.561 0.016 2.085) 5.014 5.535 ( -2.825 7.450 -7.108) 10.678 5.706 ( -12.472 4.437 -11.463) 17.511 6.002 ( -6.042 2.403 -6.442) 9.153 6.252 ( -7.972 -11.367 1.793) 13.999 6.614 ( -2.697 -1.654 12.798) 13.183 6.800 ( 10.366 -4.010 -1.491) 11.214 7.348 ( 6.661 -0.926 3.249) 7.469 10.249 ( 2.806 1.758 -0.190) 3.317 10.406 ( 2.995 -2.444 8.564) 9.395 10.778 ( 6.409 -6.537 -10.678) 14.065 11.431 ( -5.520 2.205 -8.052) 10.008 12.136 ( -5.986 -2.684 -5.488) 8.553 12.598 ( 0.951 -1.866 -12.597) 12.770 13.094 ( 0.079 14.843 25.473) 29.482 14.202 ( 3.090 4.547 1.415) 5.677 14.632 ( -7.526 -1.747 8.198) 11.265 14.973 ( -0.415 5.965 -6.879) 9.115 15.379 ( 1.155 -11.909 -10.071) 15.639 16.195 ( 0.046 0.738 -1.852) 1.994 18.154 ( -6.517 2.716 -0.813) 7.107 18.195 ( 0.540 -1.117 -1.500) 1.947 18.632 ( 6.720 -0.045 4.901) 8.318 19.288 ( -1.508 -1.944 -8.692) 9.034 ======================= Grid point 262 (129/251) ======================= q-point: (-0.30 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -8.932 -9.426 3.846) 13.543 1.597 ( -1.032 -5.993 7.823) 9.908 1.770 ( -12.076 1.540 2.815) 12.495 2.127 ( -8.455 -4.907 3.543) 10.398 2.473 ( 6.212 3.047 -4.174) 8.080 2.777 ( -3.107 -2.218 1.720) 4.187 2.972 ( -1.341 -6.102 9.162) 11.089 3.233 ( -0.071 -7.047 11.447) 13.443 3.609 ( 15.247 5.035 4.812) 16.762 3.804 ( -6.267 -5.269 4.895) 9.539 3.957 ( 4.342 2.062 -3.959) 6.227 4.457 ( -7.319 3.633 5.170) 9.669 4.946 ( 2.872 3.091 5.577) 6.993 5.402 ( 0.744 3.992 -0.805) 4.139 5.557 ( -6.866 -1.125 -12.106) 13.963 5.830 ( -7.620 6.722 -8.577) 13.297 6.297 ( -7.503 0.616 4.675) 8.862 6.774 ( 0.657 -10.605 10.428) 14.888 6.974 ( 10.625 -5.068 -0.943) 11.809 7.434 ( 6.249 -1.461 2.264) 6.805 10.268 ( 1.305 -2.204 1.778) 3.118 10.524 ( 5.189 -3.709 8.403) 10.549 10.926 ( 6.201 -4.837 -8.419) 11.521 11.321 ( -3.872 3.255 -5.814) 7.707 12.170 ( -2.060 -6.411 -7.444) 10.038 12.606 ( 1.515 -0.430 -8.990) 9.127 12.830 ( -3.974 16.180 27.243) 31.934 14.116 ( 3.120 7.022 -1.442) 7.818 14.589 ( -8.878 0.629 6.429) 10.980 14.935 ( 2.288 -2.095 -4.149) 5.181 15.585 ( 6.929 -7.876 -6.595) 12.391 16.160 ( 0.455 1.439 -3.609) 3.912 17.942 ( -16.157 7.531 -1.734) 17.910 18.306 ( 10.082 -3.442 -1.188) 10.720 18.715 ( 6.716 -1.595 6.536) 9.506 19.293 ( -3.607 -2.988 -7.589) 8.918 ======================= Grid point 263 (130/251) ======================= q-point: (-0.20 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -10.732 -5.894 1.710) 12.362 1.678 ( -7.061 -2.153 -0.758) 7.421 1.776 ( 1.626 -7.792 5.922) 9.921 2.213 ( -1.364 -6.143 -2.528) 6.781 2.463 ( 3.107 0.248 -6.761) 7.445 2.762 ( -3.150 -0.017 -0.049) 3.151 3.018 ( -2.019 1.032 -0.930) 2.451 3.455 ( 1.462 -10.152 12.000) 15.786 3.679 ( 12.414 2.021 10.299) 16.256 3.844 ( 0.643 0.781 -8.839) 8.897 3.952 ( -6.419 -5.701 8.737) 12.249 4.318 ( -9.297 5.300 4.281) 11.526 4.901 ( 1.155 4.120 6.953) 8.164 5.384 ( 0.395 -1.641 2.158) 2.740 5.563 ( -4.062 -1.947 -8.317) 9.458 5.603 ( -2.805 5.856 -6.575) 9.241 6.191 ( -6.741 5.466 8.099) 11.870 6.982 ( 2.155 -5.893 5.674) 8.460 7.146 ( 10.738 -3.839 -0.852) 11.436 7.506 ( 3.055 -1.132 1.789) 3.716 10.355 ( -0.522 -5.053 3.283) 6.048 10.662 ( 5.291 -3.220 7.402) 9.651 10.979 ( 4.147 1.292 -6.704) 7.988 11.202 ( -2.708 5.254 -3.632) 6.937 12.278 ( 0.926 -4.000 -0.066) 4.106 12.572 ( -3.352 0.645 7.782) 8.497 12.680 ( -0.258 1.807 6.754) 6.996 13.980 ( 1.972 8.405 -3.328) 9.252 14.557 ( -6.794 -2.822 5.876) 9.416 15.020 ( 2.039 -5.192 -2.690) 6.193 15.689 ( 6.537 3.874 2.636) 8.044 16.207 ( 7.874 -6.687 -8.366) 13.293 17.620 ( -19.646 9.643 -2.654) 22.045 18.416 ( 10.689 1.016 -2.842) 11.107 18.845 ( 4.601 -4.247 8.003) 10.161 19.301 ( -4.089 -3.383 -5.152) 7.397 ======================= Grid point 264 (131/251) ======================= q-point: (-0.10 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -8.505 -1.687 0.922) 8.720 1.728 ( -2.422 -6.586 -3.731) 7.948 1.915 ( 3.958 -2.206 3.412) 5.673 2.289 ( 7.872 -0.119 -4.619) 9.128 2.471 ( -6.284 -3.967 -7.219) 10.361 2.764 ( -1.349 -3.092 -3.993) 5.228 2.924 ( 0.283 5.253 -8.830) 10.278 3.600 ( 5.130 4.822 1.832) 7.275 3.726 ( -6.219 -5.071 8.612) 11.771 3.905 ( 7.926 -4.756 6.756) 11.449 4.059 ( -3.779 -3.184 8.189) 9.565 4.160 ( -8.510 0.674 2.588) 8.920 4.869 ( 2.124 3.063 7.580) 8.447 5.336 ( -8.228 8.028 -6.159) 13.041 5.482 ( 0.086 -6.597 5.031) 8.296 5.680 ( 2.430 -5.457 -2.887) 6.634 6.051 ( -5.319 5.545 8.713) 11.617 7.048 ( 2.558 1.419 -0.596) 2.986 7.277 ( 8.744 -1.237 0.555) 8.848 7.518 ( -1.725 1.487 1.903) 2.968 10.444 ( -1.857 -3.723 3.992) 5.765 10.737 ( 0.282 0.652 3.242) 3.319 10.948 ( 4.753 2.868 -3.466) 6.545 11.062 ( -1.475 6.015 -0.904) 6.259 12.278 ( -5.360 2.629 17.618) 18.602 12.616 ( 0.847 -2.471 -4.932) 5.581 12.787 ( 3.220 -10.300 1.785) 10.939 13.828 ( 1.173 7.539 -1.468) 7.770 14.615 ( -4.753 -6.151 4.222) 8.846 15.141 ( 0.197 -7.127 -1.419) 7.269 15.585 ( 2.531 10.531 6.381) 12.571 16.472 ( 16.596 -10.743 -6.536) 20.822 17.273 ( -19.604 7.871 -4.373) 21.573 18.428 ( 8.381 4.428 -4.049) 10.307 18.937 ( -3.596 -1.783 5.924) 7.156 19.348 ( 0.749 -4.140 -0.651) 4.257 ======================= Grid point 271 (132/251) ======================= q-point: (-0.40 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -10.315 -0.000 14.608) 17.883 1.477 ( -11.977 -0.000 8.133) 14.477 1.816 ( -2.438 -0.000 11.245) 11.506 2.175 ( -13.283 -0.000 3.694) 13.787 2.472 ( -9.602 -0.000 10.358) 14.124 2.631 ( 4.618 0.000 4.361) 6.352 2.809 ( 2.876 0.000 1.267) 3.143 3.144 ( -1.468 -0.000 15.438) 15.508 3.614 ( -6.778 -0.000 5.529) 8.747 3.904 ( 14.934 0.000 -4.748) 15.671 3.926 ( 7.857 0.000 4.839) 9.228 4.602 ( 4.006 0.000 2.852) 4.917 4.961 ( 3.435 0.000 2.583) 4.297 5.471 ( -12.113 -0.000 -15.155) 19.401 5.746 ( -5.428 -0.000 -14.225) 15.225 5.912 ( -5.765 -0.000 1.796) 6.038 6.040 ( -9.687 -0.000 -0.331) 9.693 6.607 ( -4.518 -0.000 13.035) 13.795 6.837 ( 10.563 0.000 -2.207) 10.791 7.408 ( 7.674 0.000 2.815) 8.174 10.318 ( 5.216 0.000 0.298) 5.225 10.429 ( 3.927 0.000 7.705) 8.648 10.715 ( 5.469 0.000 -10.205) 11.578 11.366 ( -7.352 -0.000 -10.346) 12.692 12.063 ( -3.347 -0.000 -3.989) 5.207 12.559 ( 3.369 0.000 -12.628) 13.070 13.346 ( 3.375 0.000 25.330) 25.553 14.292 ( 4.813 0.000 2.422) 5.388 14.587 ( -4.650 -0.000 9.115) 10.233 15.077 ( -4.717 -0.000 -5.443) 7.203 15.163 ( 5.915 0.000 -11.275) 12.732 16.202 ( 1.334 0.000 -2.370) 2.720 18.095 ( -11.694 -0.000 -2.165) 11.893 18.197 ( 3.019 0.000 -0.070) 3.019 18.701 ( 6.890 0.000 3.979) 7.956 19.233 ( -1.551 -0.000 -9.608) 9.733 ======================= Grid point 272 (133/251) ======================= q-point: (-0.30 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -10.128 -7.874 10.400) 16.515 1.442 ( -13.094 -6.108 9.245) 17.153 1.788 ( -3.939 5.108 7.219) 9.680 2.025 ( -12.200 1.148 7.367) 14.298 2.477 ( -7.834 -3.720 6.830) 11.039 2.728 ( 4.392 -3.363 1.584) 5.754 2.880 ( 2.589 -4.160 3.625) 6.095 3.178 ( -1.356 -1.241 9.990) 10.158 3.620 ( -6.688 -4.246 10.511) 13.162 3.905 ( 11.086 6.457 4.497) 13.595 4.034 ( 8.556 0.779 -3.384) 9.234 4.525 ( -3.417 8.025 1.741) 8.894 5.011 ( 1.588 0.168 3.500) 3.847 5.376 ( -6.053 -3.900 -12.542) 14.462 5.545 ( -2.770 7.318 -5.131) 9.357 5.844 ( -7.498 3.701 -11.204) 13.981 6.138 ( -6.461 -12.054 2.498) 13.903 6.639 ( -3.451 -4.469 12.997) 14.170 6.961 ( 10.305 -4.155 -1.422) 11.202 7.483 ( 7.624 -0.382 1.565) 7.792 10.305 ( 3.753 3.492 0.306) 5.135 10.525 ( 5.555 -3.185 7.822) 10.109 10.828 ( 6.302 -7.527 -7.386) 12.285 11.280 ( -6.621 -0.252 -9.685) 11.735 12.055 ( -0.314 -2.371 -4.522) 5.115 12.577 ( 4.999 -1.474 -11.371) 12.509 13.253 ( 0.884 18.279 27.810) 33.292 14.274 ( 4.740 5.942 0.706) 7.634 14.576 ( -4.969 1.638 8.907) 10.330 14.936 ( 0.008 2.656 -5.445) 6.058 15.405 ( 8.897 -14.396 -8.449) 18.915 16.195 ( 1.552 1.530 -2.333) 3.193 17.935 ( -15.072 5.347 -1.615) 16.074 18.276 ( 5.565 -5.098 -1.052) 7.620 18.770 ( 6.569 -0.489 4.256) 7.843 19.203 ( -2.565 -1.275 -9.038) 9.481 ======================= Grid point 273 (134/251) ======================= q-point: (-0.20 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -12.260 -8.171 3.408) 15.122 1.532 ( -13.905 -6.715 8.307) 17.534 1.686 ( 0.516 -1.535 5.984) 6.199 2.042 ( -4.989 -6.420 3.043) 8.681 2.469 ( -6.207 -0.199 0.021) 6.211 2.793 ( 6.711 1.144 -1.466) 6.964 2.992 ( -1.105 -3.482 3.228) 4.875 3.264 ( -3.511 -8.172 10.511) 13.770 3.715 ( -6.584 -7.819 9.988) 14.292 3.882 ( 8.564 5.983 9.079) 13.841 3.999 ( 5.990 6.446 -7.240) 11.395 4.353 ( -8.171 4.977 5.220) 10.899 4.962 ( -4.522 2.416 1.062) 5.236 5.399 ( -0.168 0.490 -1.947) 2.015 5.482 ( 4.423 -2.457 -5.013) 7.123 5.652 ( -7.300 5.654 -11.260) 14.561 6.223 ( -4.933 -0.012 6.053) 7.809 6.834 ( 0.474 -12.357 7.531) 14.479 7.133 ( 9.696 -5.290 -1.686) 11.173 7.544 ( 5.932 0.368 0.287) 5.950 10.299 ( 1.180 -0.913 1.664) 2.235 10.665 ( 6.293 -3.551 7.535) 10.440 10.973 ( 4.144 -3.446 -5.751) 7.881 11.215 ( -4.481 0.138 -7.378) 8.633 12.145 ( 3.810 -7.435 -5.658) 10.090 12.612 ( 4.951 -0.130 -7.463) 8.957 12.917 ( -5.662 20.015 29.513) 36.106 14.164 ( 3.924 8.867 -1.651) 9.836 14.509 ( -5.294 1.489 7.455) 9.264 14.954 ( 2.166 -3.091 -2.722) 4.654 15.732 ( 14.637 -8.860 -2.976) 17.366 16.172 ( 4.090 0.121 -4.511) 6.090 17.642 ( -19.142 9.631 -2.093) 21.530 18.433 ( 5.855 -5.118 -3.492) 8.524 18.855 ( 5.744 -1.601 5.756) 8.288 19.195 ( -2.608 -2.846 -6.300) 7.389 ======================= Grid point 274 (135/251) ======================= q-point: (-0.10 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -9.280 -7.094 2.699) 11.989 1.549 ( -8.200 -6.979 0.139) 10.769 1.859 ( 3.905 -7.853 5.190) 10.191 2.156 ( -3.793 -9.026 -3.375) 10.355 2.399 ( -6.560 1.017 -3.217) 7.377 2.807 ( 9.669 3.295 -2.358) 10.484 2.982 ( -0.627 2.691 -4.604) 5.369 3.475 ( -7.327 -13.262 12.501) 19.643 3.804 ( -6.058 1.747 2.522) 6.791 3.851 ( 3.977 -1.117 -1.029) 4.257 3.977 ( 6.556 -0.645 11.350) 13.123 4.207 ( -7.256 5.635 5.876) 10.906 4.910 ( -3.374 -0.244 2.999) 4.521 5.382 ( -6.247 4.777 -7.378) 10.783 5.434 ( 1.553 0.455 0.507) 1.696 5.618 ( 4.466 -3.791 -3.313) 6.730 6.139 ( -5.114 5.514 8.369) 11.252 7.047 ( 2.348 -5.148 3.875) 6.858 7.297 ( 9.004 -4.357 -3.492) 10.595 7.555 ( 2.080 2.125 0.356) 2.995 10.358 ( -1.246 -3.997 2.827) 5.051 10.771 ( 3.994 -0.263 4.605) 6.102 10.988 ( -0.256 1.056 -4.836) 4.956 11.145 ( -1.514 2.926 -3.207) 4.597 12.320 ( 3.689 -3.849 1.852) 5.644 12.593 ( 0.103 2.810 8.917) 9.350 12.714 ( -0.770 1.019 7.179) 7.292 14.007 ( 2.798 9.566 -0.712) 9.992 14.506 ( -2.919 -2.591 5.870) 7.049 15.036 ( 1.156 -4.452 -1.337) 4.790 15.817 ( 6.027 8.223 4.392) 11.101 16.373 ( 18.498 -12.306 -7.302) 23.386 17.276 ( -20.111 10.192 -3.307) 22.787 18.497 ( 1.010 -0.148 -6.580) 6.658 18.920 ( -0.089 0.100 5.682) 5.684 19.262 ( 2.360 -5.656 -1.048) 6.217 ======================= Grid point 282 (136/251) ======================= q-point: (-0.30 -0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -8.894 -0.000 16.579) 18.814 1.259 ( -18.742 -0.000 8.521) 20.588 1.875 ( 0.448 0.000 10.782) 10.792 1.950 ( -15.919 -0.000 4.755) 16.614 2.329 ( -18.401 -0.000 19.921) 27.119 2.744 ( 6.867 0.000 2.625) 7.351 2.891 ( 7.135 0.000 -4.329) 8.345 3.189 ( -0.157 -0.000 5.784) 5.786 3.560 ( -5.534 -0.000 12.494) 13.664 4.053 ( 5.063 0.000 1.521) 5.286 4.116 ( 11.249 0.000 4.547) 12.134 4.656 ( 2.135 0.000 -5.652) 6.042 5.007 ( -2.559 -0.000 3.002) 3.945 5.217 ( -5.964 -0.000 -11.330) 12.804 5.589 ( -5.539 -0.000 -10.413) 11.795 5.781 ( -7.629 -0.000 -13.113) 15.171 5.925 ( -5.145 -0.000 8.238) 9.713 6.609 ( -4.691 -0.000 13.960) 14.727 6.996 ( 10.165 0.000 -1.566) 10.285 7.544 ( 7.428 0.000 0.309) 7.435 10.419 ( 5.980 0.000 1.966) 6.294 10.532 ( 4.881 0.000 1.649) 5.152 10.770 ( 5.986 0.000 -2.756) 6.590 11.188 ( -6.735 -0.000 -10.087) 12.129 12.033 ( 1.873 0.000 -2.442) 3.078 12.583 ( 7.669 0.000 -11.062) 13.460 13.561 ( 5.164 0.000 23.473) 24.034 14.387 ( 4.762 0.000 1.549) 5.007 14.623 ( 3.189 0.000 13.655) 14.022 14.973 ( -5.377 -0.000 -2.070) 5.761 15.245 ( 11.781 0.000 -10.413) 15.724 16.222 ( 2.848 0.000 -2.141) 3.563 17.876 ( -14.090 -0.000 -0.905) 14.119 18.234 ( 1.299 0.000 -3.020) 3.287 18.824 ( 5.587 0.000 3.446) 6.564 19.147 ( -1.955 -0.000 -9.209) 9.414 ======================= Grid point 283 (137/251) ======================= q-point: (-0.20 -0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -14.512 -3.960 9.570) 17.829 1.283 ( -13.641 -9.775 13.160) 21.326 1.734 ( -7.532 5.678 8.919) 12.982 1.938 ( -4.515 -1.937 6.065) 7.805 2.318 ( -17.943 -6.599 16.330) 25.143 2.845 ( 6.104 -3.265 3.476) 7.746 2.940 ( 6.920 -0.402 -5.559) 8.886 3.208 ( 0.637 -0.666 4.110) 4.212 3.583 ( -5.577 -3.009 11.005) 12.699 4.044 ( 2.489 3.953 1.180) 4.818 4.183 ( 9.969 4.934 5.514) 12.415 4.440 ( -7.663 11.332 -0.530) 13.689 4.938 ( -8.424 1.228 -3.503) 9.205 5.320 ( 2.278 -6.677 -5.598) 9.006 5.515 ( 2.887 -0.025 -3.542) 4.569 5.642 ( -8.239 3.574 -13.104) 15.886 6.088 ( -1.647 -12.756 3.725) 13.390 6.647 ( -3.882 -5.548 11.573) 13.409 7.114 ( 9.190 -3.917 -0.926) 10.033 7.598 ( 6.186 0.171 -1.474) 6.362 10.364 ( 2.989 5.488 0.479) 6.268 10.665 ( 6.922 -4.767 5.538) 10.065 10.890 ( 3.985 -6.552 -3.575) 8.462 11.124 ( -5.138 -1.206 -8.958) 10.397 12.076 ( 5.087 -2.755 -1.783) 6.054 12.629 ( 8.332 -0.667 -9.866) 12.931 13.407 ( -2.175 22.911 24.701) 33.761 14.353 ( 3.935 6.777 0.251) 7.841 14.602 ( 2.603 8.338 13.386) 15.984 14.912 ( -0.389 -1.511 -1.747) 2.343 15.591 ( 19.345 -18.350 -5.030) 27.134 16.224 ( 3.644 2.030 -1.973) 4.614 17.661 ( -17.665 8.360 -1.240) 19.583 18.314 ( -0.493 -7.952 -5.946) 9.941 18.887 ( 4.856 -1.149 3.682) 6.201 19.123 ( -0.708 -1.330 -6.631) 6.800 ======================= Grid point 284 (138/251) ======================= q-point: (-0.10 -0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -11.541 -9.843 5.511) 16.139 1.336 ( -14.824 -6.299 8.206) 18.077 1.760 ( 2.615 -6.308 8.389) 10.817 1.966 ( -6.673 -5.283 0.484) 8.525 2.324 ( -11.597 -2.793 7.088) 13.876 2.951 ( 8.448 -0.019 1.939) 8.668 2.986 ( 4.717 -0.505 -5.080) 6.950 3.252 ( -4.128 -4.279 7.917) 9.901 3.632 ( -8.792 -5.650 4.948) 11.563 3.976 ( 2.358 3.662 -0.868) 4.442 4.130 ( 6.087 6.547 10.799) 14.019 4.262 ( -6.619 4.484 4.636) 9.241 4.860 ( -5.685 -0.238 -0.958) 5.770 5.369 ( -1.664 -1.531 -4.749) 5.260 5.460 ( -6.415 4.030 -9.312) 12.005 5.604 ( 8.598 -1.958 -1.006) 8.875 6.212 ( -0.701 1.384 6.517) 6.700 6.874 ( 0.604 -14.839 3.667) 15.297 7.264 ( 7.574 -4.581 -2.258) 9.135 7.616 ( 3.597 1.748 -3.285) 5.175 10.322 ( 0.250 0.558 1.828) 1.928 10.808 ( 6.214 -2.060 6.182) 9.005 10.972 ( -1.455 -0.758 -3.659) 4.010 11.101 ( -3.856 -2.795 -7.713) 9.065 12.233 ( 9.545 -7.853 -2.207) 12.555 12.674 ( 7.502 0.295 -7.776) 10.808 12.949 ( -11.654 22.341 29.937) 39.130 14.217 ( 1.869 9.549 0.879) 9.770 14.535 ( 4.421 4.129 9.140) 10.960 14.968 ( 0.463 -3.450 -0.327) 3.496 16.002 ( 15.568 -0.265 3.053) 15.867 16.278 ( 15.650 -9.179 -6.386) 19.235 17.307 ( -20.161 10.817 -2.510) 23.017 18.405 ( -5.934 -4.975 -9.498) 12.255 18.951 ( 2.609 -0.233 4.381) 5.104 19.177 ( 3.542 -4.970 -1.792) 6.361 ======================= Grid point 293 (139/251) ======================= q-point: (-0.20 -0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -18.817 -0.000 11.817) 22.220 1.088 ( -9.669 -0.000 19.247) 21.539 1.748 ( -10.841 -0.000 3.384) 11.357 1.887 ( -10.510 -0.000 13.813) 17.357 2.150 ( -15.874 -0.000 25.375) 29.931 2.848 ( 2.444 0.000 4.465) 5.090 3.013 ( 13.792 0.000 -10.166) 17.134 3.221 ( 2.952 0.000 0.466) 2.988 3.566 ( -2.410 -0.000 10.793) 11.059 4.090 ( -0.359 -0.000 -3.320) 3.339 4.313 ( 4.584 0.000 12.337) 13.161 4.574 ( -4.801 -0.000 -11.233) 12.216 4.847 ( -10.028 -0.000 -8.643) 13.238 5.232 ( 5.153 0.000 2.963) 5.944 5.462 ( -3.823 -0.000 -3.977) 5.517 5.577 ( -6.974 -0.000 -12.922) 14.684 5.932 ( 0.127 0.000 6.524) 6.525 6.616 ( -3.699 -0.000 13.842) 14.328 7.143 ( 8.522 0.000 -0.928) 8.572 7.640 ( 4.961 0.000 -2.901) 5.747 10.505 ( 2.359 0.000 0.964) 2.548 10.611 ( 5.658 0.000 -2.644) 6.245 10.846 ( 1.999 0.000 1.479) 2.487 11.070 ( -0.825 -0.000 -5.600) 5.660 12.096 ( 6.570 0.000 0.558) 6.593 12.670 ( 9.640 0.000 -9.703) 13.678 13.689 ( -3.655 -0.000 8.079) 8.867 14.444 ( 1.519 0.000 -0.389) 1.568 14.878 ( -2.176 -0.000 0.713) 2.290 14.973 ( 24.668 0.000 31.593) 40.083 15.425 ( 16.436 0.000 -9.062) 18.769 16.280 ( 5.621 0.000 -0.595) 5.653 17.630 ( -15.761 -0.000 0.194) 15.762 18.132 ( -11.906 -0.000 -10.441) 15.836 18.918 ( 3.653 0.000 3.129) 4.810 19.095 ( 1.576 0.000 -5.261) 5.492 ======================= Grid point 294 (140/251) ======================= q-point: (-0.10 -0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -14.742 -4.643 12.803) 20.070 1.129 ( -15.192 -5.329 15.617) 22.429 1.697 ( -2.846 -3.063 8.466) 9.442 1.846 ( -13.706 -2.068 8.969) 16.509 2.164 ( -11.515 -4.948 20.439) 23.976 2.901 ( 0.017 -2.786 3.877) 4.774 3.100 ( 15.745 0.497 -8.879) 18.083 3.267 ( 5.474 0.307 1.081) 5.588 3.539 ( -5.971 2.116 5.085) 8.123 4.014 ( -5.130 2.901 -2.685) 6.476 4.256 ( -13.431 4.504 -2.614) 14.405 4.393 ( 7.705 8.958 14.955) 19.059 4.800 ( -5.281 -2.118 -3.608) 6.738 5.292 ( -1.024 -2.103 -5.091) 5.602 5.444 ( -5.528 2.691 -11.575) 13.106 5.612 ( 7.554 -6.575 0.004) 10.015 6.124 ( 3.811 -14.075 1.870) 14.701 6.650 ( -3.339 -4.796 11.167) 12.604 7.240 ( 6.760 -3.306 -1.085) 7.603 7.655 ( 2.651 0.852 -4.997) 5.720 10.398 ( 0.631 6.192 0.268) 6.230 10.791 ( 4.314 -7.591 2.055) 8.970 10.875 ( -3.720 -3.778 -3.098) 6.141 11.056 ( 1.934 1.635 -2.537) 3.585 12.198 ( 9.643 -3.953 1.174) 10.487 12.720 ( 8.801 0.193 -9.237) 12.760 13.392 ( -13.898 23.235 15.035) 30.969 14.376 ( -1.008 6.497 0.238) 6.579 14.838 ( 6.206 9.292 13.837) 17.785 14.947 ( 11.992 8.187 7.341) 16.271 15.996 ( 32.332 -21.800 0.833) 39.004 16.301 ( 7.161 2.533 -0.592) 7.619 17.349 ( -19.703 11.281 -1.348) 22.744 18.133 ( -15.771 -12.012 -12.632) 23.507 18.965 ( 2.316 -1.224 3.172) 4.114 19.132 ( 4.470 -2.577 -2.091) 5.567 ======================= Grid point 304 (141/251) ======================= q-point: (-0.10 -0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -14.926 -0.000 16.026) 21.900 1.025 ( -11.509 -0.000 20.565) 23.566 1.651 ( -3.587 -0.000 2.968) 4.656 1.695 ( -23.364 -0.000 26.720) 35.494 2.121 ( -5.653 -0.000 18.490) 19.335 2.888 ( 0.575 0.000 3.528) 3.574 3.199 ( 14.896 0.000 -10.711) 18.347 3.311 ( 7.575 0.000 -0.977) 7.638 3.597 ( 2.087 0.000 3.575) 4.140 4.000 ( -6.842 -0.000 -6.461) 9.410 4.128 ( -23.588 -0.000 -8.503) 25.074 4.646 ( 8.040 0.000 15.571) 17.524 4.671 ( -5.395 -0.000 -7.906) 9.572 5.262 ( -0.041 -0.000 -7.030) 7.030 5.432 ( -2.808 -0.000 -8.986) 9.415 5.509 ( 6.801 0.000 11.564) 13.415 5.991 ( 3.125 0.000 4.281) 5.300 6.651 ( -1.402 -0.000 13.063) 13.138 7.253 ( 5.461 0.000 -1.315) 5.617 7.662 ( 0.550 0.000 -5.942) 5.967 10.488 ( -3.188 -0.000 -2.345) 3.958 10.692 ( 5.689 0.000 -2.164) 6.087 10.807 ( -8.213 -0.000 2.178) 8.497 11.120 ( 7.451 0.000 1.743) 7.652 12.240 ( 9.020 0.000 2.392) 9.332 12.768 ( 8.509 0.000 -9.220) 12.546 13.520 ( -17.606 -0.000 0.504) 17.613 14.434 ( -1.480 -0.000 -2.176) 2.631 14.838 ( -3.732 -0.000 7.747) 8.599 15.639 ( 14.529 0.000 -8.462) 16.814 15.856 ( 57.494 0.000 25.683) 62.970 16.412 ( 9.962 0.000 2.844) 10.360 17.375 ( -15.258 -0.000 0.276) 15.260 17.683 ( -34.779 -0.000 -11.542) 36.645 18.975 ( 1.215 0.000 2.837) 3.087 19.140 ( 5.210 0.000 -1.496) 5.420 ======================= Grid point 305 (142/251) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -1.215 -0.000 15.314) 15.362 1.378 ( -5.472 -0.000 15.245) 16.198 1.738 ( 1.143 0.000 5.448) 5.567 1.996 ( -10.563 -0.000 14.327) 17.800 2.496 ( -13.494 -0.000 17.445) 22.054 2.974 ( 7.621 0.000 -1.513) 7.770 3.120 ( -3.075 -0.000 -3.856) 4.932 3.327 ( 3.363 0.000 -8.807) 9.428 3.399 ( -7.804 -0.000 -1.764) 8.001 3.722 ( 4.012 0.000 -6.889) 7.972 3.857 ( -8.892 -0.000 4.288) 9.871 4.433 ( 0.929 0.000 -8.118) 8.171 4.826 ( -0.341 -0.000 -3.317) 3.335 5.027 ( 0.685 0.000 -9.880) 9.903 5.771 ( 11.790 0.000 23.899) 26.649 5.966 ( 7.490 0.000 9.671) 12.232 6.137 ( 2.492 0.000 2.904) 3.827 6.910 ( -2.559 -0.000 8.690) 9.059 7.111 ( -4.683 -0.000 -13.490) 14.280 7.438 ( -1.608 -0.000 -7.026) 7.207 10.403 ( -2.312 -0.000 1.231) 2.620 10.668 ( 2.195 0.000 -4.537) 5.040 10.848 ( -10.657 -0.000 10.673) 15.083 11.343 ( 11.224 0.000 -0.196) 11.226 12.446 ( 6.449 0.000 3.310) 7.249 12.654 ( 2.961 0.000 -6.701) 7.326 13.432 ( -12.662 -0.000 11.807) 17.313 14.262 ( -0.139 -0.000 -8.691) 8.692 15.046 ( -3.030 -0.000 9.922) 10.375 15.598 ( 7.014 0.000 -8.151) 10.753 16.739 ( 9.448 0.000 6.700) 11.583 16.934 ( 2.556 0.000 2.726) 3.737 17.002 ( 1.934 0.000 -0.665) 2.045 17.146 ( -6.596 -0.000 -2.579) 7.082 19.043 ( -2.659 -0.000 2.794) 3.857 19.195 ( 4.392 0.000 -1.336) 4.591 ======================= Grid point 306 (143/251) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 4.807 -2.573 14.284) 15.289 1.401 ( -2.271 -0.173 17.827) 17.972 1.657 ( -4.228 5.211 5.769) 8.849 2.039 ( -1.041 -4.399 7.618) 8.858 2.402 ( -10.238 3.389 10.072) 14.756 2.985 ( 1.006 8.305 -10.375) 13.328 3.095 ( -3.852 -7.899 6.874) 11.158 3.323 ( -5.570 -5.768 -4.195) 9.049 3.450 ( 5.422 -4.778 0.982) 7.293 3.771 ( 3.333 -2.211 -3.043) 5.025 3.851 ( -7.160 -3.931 2.399) 8.513 4.486 ( -2.724 -4.415 -5.048) 7.238 4.779 ( 4.634 1.493 -1.554) 5.111 4.959 ( 0.865 5.160 -9.873) 11.173 5.895 ( 12.139 3.103 18.680) 22.493 6.039 ( 4.622 0.618 9.696) 10.759 6.281 ( 4.998 -8.272 -0.145) 9.666 6.905 ( -3.597 -0.191 8.652) 9.371 7.008 ( -7.956 0.951 -16.992) 18.786 7.407 ( -2.586 -0.248 -4.469) 5.169 10.382 ( -2.071 0.429 2.639) 3.382 10.676 ( -1.840 -1.437 -4.011) 4.641 10.784 ( -10.337 0.544 8.920) 13.665 11.381 ( 8.949 4.522 -0.661) 10.049 12.557 ( 6.176 -5.291 2.331) 8.460 12.650 ( 1.659 0.318 -6.913) 7.116 13.312 ( -11.668 5.984 15.366) 20.201 14.205 ( 0.141 3.592 -7.355) 8.187 15.043 ( -3.716 0.105 8.621) 9.388 15.519 ( 3.667 9.422 -3.742) 10.781 16.458 ( -22.830 12.283 2.915) 26.087 16.887 ( 5.012 2.312 0.976) 5.605 17.083 ( -0.978 -2.992 -0.767) 3.240 17.431 ( 23.232 -9.075 -4.286) 25.307 19.039 ( -4.362 -1.823 3.019) 5.610 19.251 ( 2.787 -2.909 -1.329) 4.242 ======================= Grid point 307 (144/251) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 2.935 3.816 15.599) 16.325 1.442 ( -1.188 -3.470 11.010) 11.605 1.685 ( 4.605 -6.717 3.561) 8.888 2.109 ( 2.450 0.077 0.805) 2.580 2.269 ( -5.887 4.382 2.250) 7.676 2.822 ( 1.525 6.408 -5.711) 8.718 3.244 ( -5.982 -8.168 7.059) 12.342 3.386 ( -3.793 -4.195 -6.386) 8.530 3.607 ( 1.810 -6.276 -1.764) 6.765 3.797 ( -3.151 -1.532 5.774) 6.754 3.945 ( -1.651 -9.150 4.183) 10.196 4.478 ( -1.579 0.057 3.473) 3.816 4.793 ( 3.238 9.829 -8.427) 13.346 4.916 ( 3.426 -9.555 -2.788) 10.527 5.956 ( 9.672 5.300 10.949) 15.541 6.069 ( 3.819 1.911 9.217) 10.158 6.421 ( 5.994 -0.730 -1.208) 6.158 6.824 ( -8.622 3.046 -17.919) 20.117 6.971 ( -7.736 -6.865 6.472) 12.202 7.387 ( -2.095 -0.935 -1.029) 2.514 10.386 ( -1.528 -1.795 4.061) 4.695 10.668 ( -4.718 -0.820 1.763) 5.103 10.720 ( -7.907 -0.676 1.404) 8.059 11.322 ( 6.176 7.432 -0.296) 9.668 12.627 ( 0.272 1.187 -5.679) 5.808 12.723 ( 4.937 -5.493 -2.628) 7.839 13.131 ( -11.143 6.866 19.812) 23.745 14.085 ( -0.130 7.178 -5.117) 8.816 15.039 ( -4.078 -0.851 5.950) 7.263 15.338 ( -0.597 8.958 2.436) 9.302 16.103 ( -15.832 9.364 0.614) 18.404 16.839 ( 7.813 7.435 -2.109) 10.989 17.113 ( -8.491 -4.563 -3.860) 10.384 17.726 ( 21.617 -4.258 -4.139) 22.418 19.054 ( -6.461 -3.056 3.874) 8.130 19.332 ( 2.102 -3.643 -1.082) 4.343 ======================= Grid point 308 (145/251) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 0.242 -1.862 8.256) 8.466 1.549 ( 2.782 -4.945 0.363) 5.686 1.926 ( 9.042 -8.670 7.833) 14.775 2.042 ( 2.732 6.432 -5.332) 8.789 2.231 ( -0.484 -2.457 -0.740) 2.611 2.715 ( 2.328 5.458 -5.030) 7.779 3.231 ( -9.766 6.001 -9.319) 14.773 3.397 ( -4.978 -4.329 5.258) 8.436 3.679 ( -9.191 -7.495 -2.185) 12.060 3.913 ( 4.405 -5.616 10.700) 12.862 4.136 ( 3.791 -7.288 5.146) 9.694 4.535 ( -0.497 -1.178 8.563) 8.657 4.618 ( 3.008 4.108 -5.056) 7.175 5.108 ( 0.389 -7.545 -2.121) 7.847 5.878 ( 0.466 7.881 3.581) 8.669 6.098 ( 7.069 3.819 8.731) 11.865 6.401 ( 3.300 7.032 3.570) 8.549 6.668 ( -5.738 -0.317 -17.470) 18.391 7.074 ( -7.873 -8.491 2.223) 11.790 7.417 ( -0.454 -2.854 3.291) 4.380 10.453 ( -0.814 -4.697 4.789) 6.757 10.639 ( -6.795 -0.303 8.005) 10.504 10.716 ( -2.281 -3.583 -5.314) 6.802 11.217 ( 4.284 7.695 0.882) 8.851 12.576 ( -1.568 2.283 -2.411) 3.672 12.741 ( -2.606 3.867 -3.717) 5.963 13.067 ( -4.466 -1.875 15.206) 15.959 13.910 ( -0.412 9.079 -2.801) 9.510 15.013 ( -5.267 1.831 1.680) 5.824 15.248 ( -1.158 -0.079 6.312) 6.418 15.821 ( -9.308 10.163 1.307) 13.843 16.746 ( 4.342 5.940 -3.771) 8.268 17.091 ( -5.153 -0.481 -6.143) 8.033 17.944 ( 16.222 -4.082 -3.139) 17.020 19.059 ( -8.849 -2.549 4.120) 10.088 19.412 ( 2.714 -2.697 -0.257) 3.835 ======================= Grid point 309 (146/251) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -1.598 -5.396 0.652) 5.665 1.678 ( 5.767 -5.302 -4.552) 9.061 1.895 ( -0.329 6.229 -5.473) 8.298 2.204 ( 13.252 -6.152 6.927) 16.169 2.305 ( 1.428 -4.907 -5.134) 7.244 2.618 ( 2.869 4.702 -6.863) 8.800 2.935 ( -12.645 9.905 -9.640) 18.733 3.453 ( -2.505 -2.604 6.973) 7.854 3.741 ( -9.926 -7.098 -2.208) 12.401 4.084 ( 3.286 -5.366 9.936) 11.761 4.284 ( 4.118 -2.767 3.954) 6.344 4.435 ( 3.357 7.018 3.594) 8.570 4.772 ( 1.516 -9.090 8.687) 12.665 5.151 ( -5.513 -0.335 -3.808) 6.709 5.752 ( -2.482 4.126 1.531) 5.052 6.024 ( 1.207 9.937 1.374) 10.104 6.267 ( 0.156 7.604 8.892) 11.701 6.684 ( 1.224 -6.442 -11.604) 13.328 7.183 ( -2.949 -7.436 -0.172) 8.001 7.488 ( -0.574 -3.182 5.511) 6.389 10.553 ( -1.485 -4.065 4.059) 5.933 10.640 ( -4.273 -2.858 6.997) 8.682 10.774 ( 0.270 -4.211 -3.503) 5.484 11.121 ( 3.174 5.479 2.073) 6.663 12.514 ( -2.972 1.812 2.484) 4.276 12.609 ( -3.311 4.528 -4.592) 7.249 13.117 ( -1.977 -0.836 8.860) 9.116 13.754 ( 0.936 5.726 -1.314) 5.949 14.906 ( -6.377 4.043 1.300) 7.662 15.316 ( 0.885 -3.474 2.229) 4.222 15.584 ( -5.898 7.812 6.214) 11.594 16.679 ( 2.272 2.462 -4.170) 5.349 17.021 ( -1.228 3.010 -6.332) 7.118 18.132 ( 10.409 -4.932 -3.275) 11.975 19.030 ( -9.786 -1.423 3.791) 10.591 19.470 ( 3.405 -0.476 0.876) 3.548 ======================= Grid point 310 (147/251) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -2.514 -3.902 -1.681) 4.937 1.746 ( 0.698 5.631 -4.179) 7.047 1.821 ( 4.687 -4.461 -8.003) 10.292 2.325 ( 0.749 4.166 -7.101) 8.267 2.385 ( 3.363 -1.845 2.347) 4.497 2.596 ( 6.242 -1.279 -7.685) 9.983 2.690 ( -4.473 2.293 -4.278) 6.600 3.506 ( 0.471 -2.503 3.702) 4.494 3.773 ( -9.619 -5.393 -0.032) 11.028 4.196 ( -0.540 -0.349 8.216) 8.241 4.282 ( -3.647 2.849 1.479) 4.858 4.415 ( 9.824 3.750 13.086) 16.788 4.918 ( -5.596 -4.064 2.692) 7.421 5.104 ( -2.821 -1.666 -0.091) 3.278 5.692 ( -0.546 1.987 1.677) 2.657 5.794 ( -0.828 11.211 -1.419) 11.331 6.197 ( -2.069 2.351 9.937) 10.419 6.818 ( 2.420 -8.210 -9.301) 12.640 7.296 ( 1.561 -4.422 -1.323) 4.872 7.547 ( -1.080 -1.810 5.376) 5.774 10.574 ( -3.318 0.719 4.367) 5.532 10.712 ( -0.453 -3.921 3.959) 5.591 10.841 ( -0.796 -3.522 -2.078) 4.166 11.086 ( 2.481 1.178 2.015) 3.406 12.468 ( -2.443 2.224 2.495) 4.140 12.530 ( 1.588 0.454 -5.212) 5.467 13.100 ( -2.772 2.868 10.720) 11.438 13.730 ( 3.356 -1.892 -1.637) 4.186 14.778 ( -5.502 4.487 2.891) 7.666 15.285 ( 1.750 7.134 -0.375) 7.355 15.573 ( -2.318 -7.034 8.422) 11.214 16.662 ( 4.437 1.258 -4.084) 6.160 16.934 ( -0.786 3.172 -5.157) 6.105 18.263 ( 2.249 -3.818 -4.971) 6.659 18.993 ( -6.623 -1.193 4.032) 7.845 19.484 ( 3.496 2.454 1.645) 4.577 ======================= Grid point 311 (148/251) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -2.519 0.742 -0.210) 2.634 1.618 ( -2.360 5.459 -0.435) 5.963 1.916 ( 4.683 -2.426 -8.984) 10.418 2.186 ( -3.561 5.313 -2.684) 6.936 2.315 ( -8.839 2.829 0.815) 9.316 2.659 ( 4.055 -3.684 -12.187) 13.362 2.796 ( 13.742 -4.493 0.796) 14.480 3.566 ( 0.325 -2.021 -1.705) 2.664 3.822 ( -3.534 -5.914 3.672) 7.807 4.030 ( -11.264 10.739 5.539) 16.519 4.263 ( -1.348 0.814 7.455) 7.619 4.470 ( 6.386 2.319 14.811) 16.295 4.914 ( -9.297 -4.031 -4.979) 11.291 5.079 ( -1.590 4.737 -0.254) 5.003 5.632 ( 2.640 3.496 5.779) 7.252 5.696 ( 4.525 3.059 -0.371) 5.475 6.193 ( -4.850 -2.635 7.252) 9.114 6.964 ( 1.420 -7.639 -8.489) 11.508 7.341 ( 3.952 2.053 -3.157) 5.458 7.564 ( -2.429 -0.199 3.205) 4.026 10.506 ( -3.085 4.343 3.914) 6.610 10.793 ( 2.079 -3.267 1.966) 4.343 10.883 ( -3.357 -3.057 -1.238) 4.706 11.094 ( 0.072 0.533 -0.132) 0.554 12.421 ( 4.001 2.880 -2.003) 5.321 12.560 ( 4.805 -0.741 -2.879) 5.651 13.072 ( -5.971 -1.026 16.918) 17.970 13.850 ( 4.437 -7.223 -2.755) 8.913 14.690 ( -0.861 2.420 5.934) 6.466 15.168 ( 1.459 6.245 2.965) 7.066 15.757 ( 1.420 -9.909 4.005) 10.782 16.663 ( 13.485 5.644 -3.663) 15.071 16.875 ( -6.828 -2.016 -3.516) 7.940 18.267 ( -7.977 -0.952 -7.278) 10.840 19.008 ( -0.158 -1.896 4.719) 5.088 19.441 ( 3.122 5.360 1.610) 6.409 ======================= Grid point 312 (149/251) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -4.449 5.601 4.002) 8.197 1.510 ( -6.067 3.263 6.793) 9.675 1.924 ( 1.817 1.222 -5.662) 6.071 2.043 ( -8.904 4.878 2.919) 10.564 2.282 ( -3.119 -4.907 1.139) 5.925 2.729 ( 2.785 -4.832 -13.070) 14.210 3.001 ( 16.767 -3.052 0.661) 17.055 3.541 ( -2.612 3.626 -1.042) 4.589 3.730 ( -14.001 10.260 8.257) 19.222 3.964 ( 5.896 -4.602 2.983) 8.052 4.245 ( -7.994 -1.959 5.091) 9.678 4.475 ( 0.277 4.820 10.182) 11.269 4.838 ( -5.816 3.292 -3.512) 7.549 5.036 ( -0.092 -3.572 -5.171) 6.285 5.566 ( 1.712 8.190 5.055) 9.776 5.734 ( 7.367 -0.997 5.320) 9.142 6.259 ( -2.840 -5.132 3.974) 7.085 7.062 ( -0.469 -3.015 -5.593) 6.371 7.256 ( 4.405 7.886 -5.624) 10.640 7.541 ( -3.578 0.153 -0.178) 3.585 10.413 ( -1.744 3.637 3.466) 5.318 10.875 ( -0.374 -0.999 -3.067) 3.247 10.905 ( 0.179 -3.914 1.734) 4.285 11.045 ( -2.397 3.108 -0.307) 3.937 12.414 ( 10.297 3.691 -1.325) 11.019 12.588 ( 5.880 1.340 -3.743) 7.097 13.164 ( -10.208 -9.537 20.331) 24.668 14.029 ( 2.342 -8.819 -4.448) 10.151 14.740 ( 7.408 -3.532 9.412) 12.487 15.090 ( 0.531 4.020 4.773) 6.263 15.984 ( 5.200 -10.131 1.043) 11.436 16.643 ( 22.897 10.691 -1.946) 25.345 16.883 ( -12.954 -7.741 -2.350) 15.272 18.145 ( -14.514 1.507 -8.472) 16.873 19.068 ( 2.785 -1.067 4.625) 5.503 19.345 ( 2.967 7.203 0.773) 7.828 ======================= Grid point 313 (150/251) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -7.265 4.900 11.110) 14.150 1.426 ( -9.166 1.809 13.553) 16.461 1.830 ( -11.470 3.450 1.432) 12.063 1.983 ( 4.040 -0.314 2.356) 4.687 2.397 ( -4.715 -7.894 6.305) 11.149 2.825 ( 4.450 -5.916 -12.396) 14.438 3.173 ( 16.098 -0.633 0.065) 16.111 3.367 ( -7.144 9.891 8.475) 14.856 3.521 ( -7.245 4.187 1.428) 8.489 3.975 ( -1.026 5.236 -3.273) 6.260 4.202 ( -11.780 4.880 4.936) 13.673 4.475 ( 1.436 -8.831 2.543) 9.301 4.751 ( -1.515 3.557 -6.415) 7.490 5.075 ( -3.323 -1.467 -6.434) 7.389 5.473 ( 6.691 4.015 10.560) 13.130 5.826 ( 6.722 -0.150 7.908) 10.381 6.315 ( 0.939 0.776 -0.045) 1.219 6.974 ( -1.567 8.268 5.584) 10.100 7.191 ( 1.212 -0.549 -10.797) 10.879 7.506 ( -2.583 0.203 -3.682) 4.502 10.376 ( -0.547 0.168 2.759) 2.818 10.806 ( -1.416 4.332 -7.120) 8.454 10.948 ( -7.727 0.297 5.874) 9.711 11.057 ( 9.141 -3.644 1.105) 9.902 12.422 ( 11.785 5.111 0.934) 12.879 12.604 ( 4.985 0.097 -4.022) 6.406 13.336 ( -13.278 -11.494 16.949) 24.407 14.174 ( -0.312 -6.886 -6.483) 9.462 15.011 ( 14.260 -11.967 8.621) 20.515 15.049 ( -1.102 1.579 7.445) 7.690 16.229 ( 9.979 -9.040 -0.734) 13.485 16.637 ( 26.584 10.313 1.775) 28.570 16.933 ( -13.855 -9.124 -1.473) 16.655 17.923 ( -18.652 5.750 -8.369) 21.237 19.096 ( 1.034 1.484 4.329) 4.692 19.241 ( 4.454 6.135 -0.510) 7.599 ======================= Grid point 314 (151/251) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -6.549 3.442 14.632) 16.396 1.387 ( -8.383 -0.411 17.481) 19.392 1.717 ( -5.682 0.305 3.115) 6.487 2.030 ( -3.298 -0.971 8.608) 9.269 2.499 ( -10.113 -5.261 14.266) 18.260 2.931 ( 7.755 -1.511 -7.702) 11.034 3.176 ( -3.823 5.148 4.534) 7.853 3.291 ( 11.144 0.086 -5.344) 12.359 3.432 ( -5.946 -0.638 0.743) 6.026 3.818 ( -3.313 5.836 -10.035) 12.072 3.991 ( -12.929 5.543 5.059) 14.949 4.570 ( -1.673 9.768 -8.941) 13.347 4.715 ( 2.893 -10.501 -1.673) 11.020 5.042 ( -3.620 -1.611 -8.008) 8.934 5.589 ( 11.978 -1.680 17.839) 21.553 5.892 ( 6.262 1.010 10.188) 12.001 6.219 ( 2.489 8.872 0.984) 9.266 6.897 ( -2.357 0.489 9.912) 10.200 7.169 ( -1.564 -0.181 -11.145) 11.256 7.472 ( -1.506 0.158 -6.725) 6.893 10.397 ( -1.291 -1.747 1.449) 2.612 10.699 ( 2.365 4.149 -5.896) 7.588 10.899 ( -9.818 -0.279 9.604) 13.737 11.215 ( 11.265 -3.231 0.298) 11.723 12.420 ( 8.874 4.071 2.555) 10.091 12.637 ( 4.388 -0.434 -5.284) 6.882 13.444 ( -14.154 -6.766 12.291) 19.929 14.252 ( -0.470 -3.798 -8.196) 9.046 15.040 ( -2.051 0.282 9.060) 9.294 15.404 ( 11.903 -13.085 -0.319) 17.692 16.495 ( 16.932 -7.736 1.285) 18.660 16.718 ( 28.286 5.090 6.083) 29.377 16.990 ( -15.430 -9.479 -1.004) 18.137 17.552 ( -22.132 13.554 -5.623) 26.555 19.065 ( -1.214 1.788 3.515) 4.126 19.192 ( 5.417 3.312 -1.120) 6.447 ======================= Grid point 316 (152/251) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 11.052 0.000 13.340) 17.324 1.419 ( 0.378 0.000 12.137) 12.143 1.816 ( 3.702 0.000 9.036) 9.764 1.935 ( -5.448 -0.000 13.402) 14.467 2.368 ( -12.357 -0.000 12.479) 17.562 2.941 ( -11.702 -0.000 -0.312) 11.707 3.136 ( -11.514 -0.000 -5.346) 12.695 3.138 ( 10.312 0.000 -3.385) 10.854 3.443 ( 2.111 0.000 6.875) 7.192 3.779 ( 1.896 0.000 1.443) 2.382 3.794 ( 0.401 0.000 -6.017) 6.031 4.417 ( 2.761 0.000 -6.656) 7.206 4.793 ( -3.086 -0.000 1.754) 3.550 5.033 ( 8.786 0.000 -14.110) 16.622 6.071 ( 7.010 0.000 22.012) 23.101 6.133 ( 7.519 0.000 6.112) 9.690 6.216 ( 5.900 0.000 4.922) 7.683 6.892 ( -10.289 -0.000 -19.204) 21.787 6.903 ( -3.886 -0.000 6.857) 7.882 7.366 ( -3.213 -0.000 -4.605) 5.615 10.371 ( -3.260 -0.000 2.035) 3.843 10.633 ( -3.070 -0.000 -3.214) 4.445 10.732 ( -10.349 -0.000 8.580) 13.443 11.495 ( 7.919 0.000 -2.030) 8.175 12.549 ( 3.703 0.000 3.508) 5.101 12.640 ( 0.997 0.000 -8.452) 8.511 13.330 ( -9.484 -0.000 15.109) 17.839 14.221 ( 0.565 0.000 -7.176) 7.198 15.038 ( -4.334 -0.000 8.397) 9.449 15.610 ( 0.186 0.000 -8.894) 8.896 16.419 ( -32.591 -0.000 2.619) 32.697 16.631 ( -17.787 -0.000 2.307) 17.936 17.334 ( 22.194 0.000 0.987) 22.216 17.519 ( 28.507 0.000 -3.943) 28.779 18.987 ( -5.820 -0.000 1.986) 6.149 19.235 ( 1.825 0.000 -1.795) 2.560 ======================= Grid point 317 (153/251) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 10.539 -1.087 9.101) 13.967 1.496 ( 1.276 -0.088 16.776) 16.825 1.684 ( 5.107 7.258 9.441) 12.957 2.085 ( 2.505 -5.222 4.533) 7.355 2.291 ( -8.780 2.131 7.215) 11.563 2.870 ( -8.116 -0.625 1.242) 8.234 3.067 ( -6.718 -4.451 -2.808) 8.534 3.253 ( 2.576 -3.904 -1.021) 4.788 3.530 ( 1.725 -4.824 8.509) 9.932 3.745 ( -6.863 1.212 0.813) 7.016 3.835 ( 2.578 -4.093 -1.730) 5.138 4.461 ( 3.748 -2.131 -4.562) 6.277 4.791 ( -2.987 -2.509 2.642) 4.712 5.008 ( 12.241 6.538 -12.631) 18.765 6.136 ( 2.518 3.176 4.183) 5.824 6.170 ( 9.568 1.579 13.165) 16.351 6.391 ( 6.402 -6.470 7.510) 11.801 6.730 ( -11.824 1.493 -20.769) 23.946 6.878 ( -6.066 0.002 7.553) 9.687 7.338 ( -3.247 -1.183 -2.600) 4.325 10.352 ( -3.593 -0.759 2.614) 4.508 10.610 ( -3.120 -1.420 -3.246) 4.721 10.664 ( -9.955 0.683 7.059) 12.223 11.491 ( 5.518 5.100 -2.533) 7.929 12.615 ( -0.297 -0.846 -6.583) 6.644 12.641 ( 2.262 -4.129 -1.445) 4.925 13.238 ( -8.829 6.307 18.412) 21.372 14.175 ( 0.670 3.496 -5.626) 6.658 15.018 ( -4.651 0.314 6.593) 8.074 15.479 ( -5.714 8.141 -4.655) 10.981 16.097 ( -20.834 5.425 0.429) 21.533 16.630 ( -20.362 -10.324 -1.341) 22.869 17.359 ( 22.405 12.152 -0.597) 25.495 17.803 ( 20.722 -5.238 -3.098) 21.597 18.959 ( -7.262 -1.952 2.450) 7.909 19.272 ( 1.168 -3.058 -2.302) 4.002 ======================= Grid point 318 (154/251) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 1.576 7.097 16.367) 17.909 1.532 ( 10.361 -0.460 2.651) 10.705 1.841 ( 8.751 -8.266 8.355) 14.653 2.158 ( 4.304 0.851 -0.710) 4.445 2.193 ( -3.140 2.227 -0.076) 3.850 2.810 ( -1.414 3.766 0.225) 4.029 3.155 ( -8.475 -8.857 3.500) 12.749 3.278 ( -2.739 0.521 -10.770) 11.125 3.544 ( -7.668 0.809 3.322) 8.396 3.820 ( -2.124 -9.699 16.584) 19.329 3.966 ( 0.046 -8.514 0.321) 8.520 4.525 ( 5.227 -1.702 1.634) 5.734 4.784 ( 2.606 4.395 -5.995) 7.877 5.007 ( 7.310 -1.565 -1.661) 7.658 6.046 ( -0.467 7.801 -0.812) 7.857 6.253 ( 9.344 2.342 9.659) 13.642 6.528 ( 5.734 0.770 5.002) 7.648 6.550 ( -10.313 0.302 -20.015) 22.518 6.879 ( -8.593 -5.183 7.685) 12.639 7.355 ( -2.161 -3.158 1.396) 4.073 10.373 ( -3.018 -3.526 4.677) 6.589 10.595 ( -8.614 0.128 5.511) 10.227 10.628 ( -0.481 -3.080 -3.562) 4.734 11.397 ( 3.537 7.437 -1.659) 8.400 12.582 ( -1.454 0.812 -6.977) 7.173 12.720 ( -2.385 -2.549 -6.104) 7.032 13.097 ( -7.342 5.444 22.284) 24.085 14.063 ( 0.374 7.270 -3.444) 8.053 14.992 ( -4.506 0.224 2.213) 5.025 15.271 ( -8.447 4.808 2.485) 10.032 15.881 ( -11.170 4.591 -1.987) 12.238 16.622 ( -18.330 -5.823 -5.332) 19.958 17.300 ( 20.457 10.970 -2.169) 23.314 18.006 ( 14.620 -2.269 -1.806) 14.905 18.947 ( -9.133 -2.526 3.610) 10.140 19.352 ( 1.407 -4.645 -2.358) 5.396 ======================= Grid point 319 (155/251) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 6.411 3.360 9.485) 11.931 1.639 ( 9.017 -2.582 -2.771) 9.781 1.965 ( -1.845 1.969 -0.633) 2.772 2.202 ( 1.477 -2.631 -0.143) 3.021 2.241 ( 14.498 -5.239 1.411) 15.480 2.707 ( -1.864 4.789 -2.002) 5.515 3.010 ( -8.489 10.483 -12.807) 18.600 3.352 ( -4.337 -8.549 6.608) 11.643 3.538 ( -8.627 -4.907 3.852) 10.646 4.016 ( 0.927 -6.660 11.585) 13.394 4.138 ( -4.920 -9.833 1.879) 11.154 4.586 ( 1.094 2.107 8.291) 8.624 4.756 ( 14.410 -0.067 -3.298) 14.782 5.077 ( -3.201 -1.712 -0.095) 3.631 5.854 ( -3.197 8.450 -3.658) 9.747 6.205 ( -1.063 8.021 -0.810) 8.131 6.440 ( 0.381 5.986 4.887) 7.737 6.560 ( 2.702 -3.486 -6.562) 7.906 6.992 ( -3.834 -9.470 3.591) 10.829 7.424 ( -1.620 -4.278 4.891) 6.696 10.462 ( -1.424 -5.573 6.276) 8.513 10.562 ( -6.939 -1.995 5.652) 9.169 10.698 ( 2.501 -4.149 -3.807) 6.162 11.273 ( 2.287 7.354 -0.317) 7.708 12.525 ( -3.228 1.594 -2.103) 4.169 12.641 ( -5.322 3.699 -5.977) 8.816 13.079 ( -4.772 -1.901 15.155) 16.002 13.902 ( 0.835 8.562 -1.668) 8.763 14.920 ( -5.621 2.801 -1.945) 6.574 15.226 ( -5.260 -4.067 5.950) 8.922 15.701 ( -6.273 6.705 0.176) 9.184 16.540 ( -16.253 -3.173 -7.412) 18.143 17.266 ( 20.363 9.516 -3.097) 22.689 18.138 ( 9.244 -2.023 -1.499) 9.581 18.923 ( -10.190 -2.259 4.367) 11.314 19.445 ( 1.595 -4.042 -1.558) 4.616 ======================= Grid point 320 (156/251) ======================= q-point: ( 0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 7.654 1.205 2.814) 8.244 1.750 ( 6.332 -3.635 -5.899) 9.386 1.864 ( 0.414 5.748 -5.061) 7.670 2.258 ( -2.739 -3.317 -3.091) 5.298 2.488 ( 15.831 -2.555 2.525) 16.233 2.616 ( -1.446 1.625 -3.355) 3.998 2.716 ( -3.691 7.871 -11.629) 14.520 3.468 ( -1.380 -3.762 9.064) 9.910 3.577 ( -9.731 -5.988 0.513) 11.437 4.169 ( 1.244 -5.190 8.603) 10.124 4.227 ( -6.665 -4.196 -0.932) 7.931 4.565 ( 1.979 2.972 12.338) 12.845 4.919 ( 8.124 1.629 4.552) 9.454 5.016 ( -5.093 -2.811 -2.766) 6.442 5.712 ( -2.528 2.374 -1.824) 3.918 5.982 ( -4.969 10.653 -3.867) 12.374 6.327 ( -0.197 7.756 11.190) 13.616 6.671 ( 3.998 -6.361 -8.165) 11.095 7.167 ( 0.216 -8.922 1.314) 9.020 7.504 ( -1.393 -3.473 5.664) 6.789 10.542 ( -2.382 -2.022 4.173) 5.213 10.623 ( -2.490 -6.213 7.877) 10.337 10.783 ( 2.330 -2.975 -2.994) 4.822 11.165 ( 1.133 5.101 0.393) 5.240 12.470 ( -4.969 0.753 4.232) 6.570 12.535 ( -0.565 1.628 -7.980) 8.164 13.118 ( -4.489 -1.392 9.922) 10.979 13.775 ( 2.148 4.685 -1.412) 5.344 14.813 ( -4.851 3.119 0.037) 5.768 15.313 ( -2.373 -5.347 0.891) 5.917 15.545 ( -3.483 5.041 6.915) 9.239 16.468 ( -14.967 -5.296 -7.734) 17.660 17.238 ( 22.142 10.680 -3.302) 24.804 18.212 ( 1.114 -1.291 -3.106) 3.544 18.911 ( -6.975 -2.945 5.419) 9.311 19.511 ( 1.143 -1.758 -0.624) 2.187 ======================= Grid point 321 (157/251) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 6.796 1.188 -0.096) 6.900 1.734 ( 1.022 7.038 -3.893) 8.108 1.852 ( 4.158 -4.529 -7.836) 9.960 2.211 ( -10.020 2.457 -1.068) 10.372 2.392 ( 1.635 9.893 -8.752) 13.309 2.613 ( 2.700 -2.047 -8.576) 9.221 2.824 ( 16.908 -6.123 1.724) 18.065 3.533 ( -0.878 -1.855 3.302) 3.888 3.626 ( -9.014 -7.599 2.907) 12.143 4.143 ( -7.028 5.928 3.205) 9.736 4.292 ( 0.862 -1.724 6.637) 6.911 4.559 ( -3.868 1.005 10.653) 11.378 4.809 ( -3.540 2.379 -0.907) 4.361 5.140 ( 3.910 -0.984 4.286) 5.884 5.700 ( 0.436 -0.289 1.500) 1.588 5.769 ( -0.883 5.061 -1.755) 5.429 6.213 ( -2.974 5.521 9.703) 11.553 6.802 ( 2.367 -7.065 -9.361) 11.964 7.316 ( 1.263 -5.455 -0.425) 5.615 7.550 ( -1.730 -0.828 3.849) 4.301 10.547 ( -2.659 0.893 4.601) 5.389 10.740 ( 0.368 -4.490 5.628) 7.209 10.819 ( -0.702 -1.142 -1.790) 2.236 11.104 ( -0.869 1.689 -0.523) 1.970 12.448 ( -0.685 -0.537 0.579) 1.045 12.542 ( 2.246 -2.613 -2.543) 4.283 13.102 ( -4.182 1.953 10.001) 11.014 13.769 ( 2.132 -2.623 -2.541) 4.229 14.742 ( -0.881 1.900 4.297) 4.780 15.301 ( 0.228 5.021 -0.080) 5.026 15.583 ( -2.479 -8.388 8.712) 12.345 16.458 ( -13.526 -7.832 -7.397) 17.292 17.201 ( 24.496 11.915 -2.766) 27.380 18.170 ( -9.522 0.695 -5.535) 11.036 18.966 ( -0.378 -3.955 6.419) 7.549 19.521 ( 0.230 1.293 -0.163) 1.323 ======================= Grid point 322 (158/251) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 3.837 5.265 0.226) 6.519 1.599 ( 0.752 6.474 1.691) 6.733 1.928 ( 1.841 -1.146 -9.927) 10.161 2.038 ( -11.278 3.387 1.190) 11.835 2.250 ( 0.787 3.642 -2.705) 4.604 2.652 ( 3.072 -2.432 -11.031) 11.706 3.088 ( 20.389 -4.515 1.137) 20.914 3.545 ( -2.304 -0.483 0.126) 2.357 3.718 ( -10.378 -5.968 -1.283) 12.041 3.949 ( -3.998 6.524 11.612) 13.907 4.269 ( -3.171 4.935 4.593) 7.450 4.536 ( -5.776 -1.174 4.695) 7.535 4.802 ( -2.031 -0.008 2.904) 3.543 5.083 ( 2.302 6.256 0.190) 6.669 5.716 ( 3.522 1.830 6.192) 7.354 5.768 ( 3.251 -0.450 2.093) 3.893 6.164 ( -3.118 -2.037 6.147) 7.187 6.920 ( -0.059 -6.985 -10.771) 12.838 7.382 ( 2.960 0.540 -2.459) 3.886 7.513 ( -5.284 2.161 1.252) 5.844 10.488 ( -1.756 4.214 4.334) 6.295 10.811 ( -4.603 -2.222 1.081) 5.224 10.852 ( 2.780 -3.348 1.927) 4.759 11.057 ( -3.395 1.428 -1.981) 4.183 12.485 ( 4.503 -1.556 -1.046) 4.878 12.623 ( 4.449 -2.621 -2.276) 5.643 13.065 ( -5.715 0.284 14.868) 15.931 13.871 ( 0.168 -7.265 -3.923) 8.259 14.773 ( 5.505 -1.723 8.447) 10.229 15.199 ( 0.106 5.701 3.661) 6.776 15.795 ( -0.360 -12.295 5.060) 13.300 16.496 ( -11.525 -8.658 -6.904) 15.982 17.172 ( 26.578 12.060 -1.682) 29.235 18.021 ( -16.143 1.534 -7.340) 17.799 19.067 ( 2.721 -2.989 6.353) 7.530 19.466 ( -0.508 4.071 -0.264) 4.111 ======================= Grid point 323 (159/251) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -4.002 8.334 5.543) 10.779 1.506 ( 0.033 6.784 9.219) 11.446 1.802 ( -9.613 3.257 -2.365) 10.421 2.023 ( 3.414 -0.681 -3.025) 4.612 2.253 ( -1.822 -3.992 1.856) 4.764 2.710 ( 3.180 -4.673 -11.107) 12.462 3.311 ( 19.522 -1.044 0.900) 19.571 3.502 ( -3.080 5.387 3.336) 7.045 3.566 ( -9.163 5.691 2.190) 11.007 4.029 ( -0.269 -5.169 4.044) 6.568 4.108 ( -11.089 3.839 0.493) 11.745 4.500 ( -2.184 4.944 8.574) 10.135 4.731 ( -4.007 0.245 -3.561) 5.367 5.061 ( 3.755 1.607 -3.117) 5.138 5.648 ( 3.726 6.314 9.760) 12.206 5.865 ( 4.463 -2.949 6.679) 8.557 6.261 ( 1.380 -5.833 1.590) 6.201 6.995 ( -2.476 -4.574 -10.478) 11.698 7.274 ( 0.345 10.420 -3.685) 11.058 7.459 ( -5.207 -1.218 -0.498) 5.371 10.412 ( -0.787 3.225 4.027) 5.219 10.796 ( -5.687 -0.552 0.228) 5.719 10.911 ( -4.117 0.366 -0.238) 4.140 11.042 ( 3.753 -3.587 0.817) 5.255 12.558 ( 6.883 -1.138 -1.691) 7.179 12.662 ( 6.459 2.516 -4.011) 8.009 13.109 ( -10.057 -6.360 19.704) 23.018 14.004 ( -1.413 -8.235 -5.113) 9.796 14.950 ( 9.446 -7.408 9.826) 15.513 15.115 ( -0.523 4.019 5.345) 6.708 16.061 ( 0.808 -13.734 3.718) 14.251 16.556 ( -7.914 -7.816 -6.789) 13.031 17.170 ( 27.148 10.761 0.307) 29.204 17.820 ( -18.288 2.458 -8.816) 20.450 19.134 ( 1.141 0.024 5.604) 5.719 19.371 ( 0.458 5.096 -0.640) 5.156 ======================= Grid point 324 (160/251) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -4.494 3.286 13.876) 14.952 1.405 ( -3.865 4.198 15.164) 16.202 1.685 ( -5.713 2.419 0.491) 6.224 2.055 ( 3.327 0.411 1.743) 3.778 2.345 ( -5.687 -6.609 4.936) 10.019 2.827 ( 3.746 -7.831 -11.064) 14.063 3.295 ( -7.264 9.895 10.405) 16.091 3.421 ( 7.736 3.236 0.222) 8.388 3.485 ( 5.864 3.955 -1.707) 7.276 3.873 ( -5.551 6.424 -6.515) 10.702 4.038 ( -11.452 5.806 5.785) 14.083 4.502 ( -2.534 -5.826 5.401) 8.338 4.737 ( 5.521 0.688 -6.523) 8.574 4.970 ( -3.863 3.300 -8.090) 9.553 5.699 ( 10.858 -1.296 15.216) 18.738 5.963 ( 4.263 -1.234 8.825) 9.878 6.349 ( 4.202 0.488 -2.703) 5.020 6.964 ( -3.512 4.047 2.670) 5.987 7.094 ( -4.879 1.772 -11.573) 12.683 7.439 ( -2.966 -0.341 -2.705) 4.029 10.382 ( -0.801 0.573 3.544) 3.678 10.741 ( -3.221 1.803 -3.351) 4.986 10.839 ( -9.102 0.404 5.391) 10.587 11.204 ( 8.155 -6.183 0.567) 10.250 12.603 ( 9.514 4.669 -0.993) 10.645 12.640 ( 2.556 0.483 -3.991) 4.764 13.221 ( -12.802 -8.592 18.199) 23.852 14.125 ( -0.807 -6.815 -6.306) 9.320 15.058 ( -2.947 1.364 7.501) 8.173 15.249 ( 8.919 -11.685 5.099) 15.559 16.328 ( -7.010 -14.021 4.346) 16.267 16.652 ( 4.665 -7.390 -6.273) 10.757 17.193 ( 19.841 8.643 3.311) 21.894 17.576 ( -12.540 6.662 -9.725) 17.211 19.107 ( -2.780 2.884 4.314) 5.886 19.297 ( 2.980 3.959 -0.811) 5.021 ======================= Grid point 327 (161/251) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 2.270 0.000 9.087) 9.367 1.524 ( 7.513 0.000 11.575) 13.800 1.963 ( 6.889 0.000 11.375) 13.299 2.021 ( 10.984 0.000 4.776) 11.977 2.258 ( -8.915 -0.000 13.646) 16.300 2.745 ( -11.325 -0.000 0.313) 11.329 2.955 ( -8.664 -0.000 0.432) 8.675 3.303 ( 10.123 0.000 1.687) 10.262 3.507 ( -2.235 -0.000 14.882) 15.049 3.738 ( -9.860 -0.000 5.894) 11.487 3.771 ( 4.085 0.000 -15.693) 16.216 4.470 ( 8.145 0.000 -6.020) 10.128 4.750 ( -4.869 -0.000 6.467) 8.095 5.146 ( 15.052 0.000 -16.581) 22.394 6.187 ( 0.879 0.000 3.406) 3.517 6.277 ( 7.052 0.000 2.131) 7.367 6.416 ( 5.816 0.000 22.651) 23.386 6.581 ( -13.267 -0.000 -21.193) 25.003 6.856 ( -5.662 -0.000 4.398) 7.170 7.288 ( -3.473 -0.000 -2.683) 4.389 10.315 ( -4.562 -0.000 0.937) 4.657 10.556 ( -3.602 -0.000 -4.482) 5.751 10.613 ( -9.259 -0.000 7.818) 12.118 11.570 ( 3.613 0.000 -4.736) 5.957 12.583 ( -1.826 -0.000 0.508) 1.896 12.598 ( 0.181 0.000 -9.829) 9.831 13.298 ( -5.795 -0.000 19.022) 19.885 14.199 ( 0.951 0.000 -4.946) 5.037 15.000 ( -5.358 -0.000 6.014) 8.054 15.493 ( -8.072 -0.000 -9.847) 12.733 15.952 ( -26.792 -0.000 3.604) 27.033 16.370 ( -12.513 -0.000 -2.159) 12.697 17.707 ( 20.963 0.000 2.829) 21.153 17.856 ( 16.714 0.000 -5.345) 17.548 18.880 ( -8.223 -0.000 1.260) 8.319 19.239 ( 0.534 0.000 -3.177) 3.222 ======================= Grid point 328 (162/251) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 1.369 3.081 7.645) 8.355 1.609 ( 1.763 -3.669 12.143) 12.807 1.957 ( 15.625 5.884 10.629) 19.792 2.137 ( -1.118 -0.573 1.665) 2.086 2.270 ( 7.411 0.798 3.955) 8.438 2.776 ( -6.721 -7.736 9.782) 14.167 2.915 ( -7.693 -3.490 -3.297) 9.068 3.316 ( 2.842 4.499 1.271) 5.471 3.559 ( -7.539 4.995 2.552) 9.397 3.655 ( -3.775 -8.351 13.517) 16.331 3.840 ( 1.619 -5.785 -4.864) 7.729 4.546 ( 8.303 -1.580 -2.969) 8.959 4.756 ( -3.571 -2.643 5.331) 6.939 5.162 ( 14.640 5.861 -13.194) 20.561 6.148 ( -1.951 4.580 -2.385) 5.520 6.356 ( 7.524 -2.146 0.569) 7.845 6.404 ( -12.370 1.209 -17.989) 21.865 6.564 ( 4.065 -4.008 18.802) 19.650 6.801 ( -7.380 1.384 4.869) 8.949 7.280 ( -2.600 -2.339 -0.466) 3.528 10.297 ( -4.409 -2.058 1.932) 5.235 10.530 ( -4.893 -1.295 -2.371) 5.589 10.572 ( -4.259 -0.974 3.898) 5.855 11.528 ( 1.609 4.616 -4.941) 6.951 12.544 ( -3.832 -0.046 -7.344) 8.284 12.614 ( -2.820 -3.453 -6.346) 7.755 13.245 ( -4.277 6.858 22.298) 23.718 14.162 ( 0.801 3.561 -3.380) 4.975 14.967 ( -5.030 0.202 3.588) 6.182 15.298 ( -12.278 6.808 -4.431) 14.722 15.791 ( -17.072 -1.735 -1.068) 17.194 16.349 ( -11.521 -6.303 -4.353) 13.835 17.690 ( 18.097 12.447 -0.960) 21.986 18.059 ( 12.817 -4.289 -1.041) 13.555 18.836 ( -9.157 -2.027 2.066) 9.603 19.266 ( 0.378 -3.476 -4.155) 5.431 ======================= Grid point 329 (163/251) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 1.806 1.974 8.590) 8.997 1.724 ( 5.899 -1.209 7.100) 9.310 1.997 ( 6.124 3.430 3.124) 7.683 2.134 ( -2.919 -2.297 0.883) 3.818 2.362 ( 20.366 0.891 0.066) 20.386 2.755 ( -7.099 4.754 2.583) 8.925 3.036 ( -7.616 -8.291 1.998) 11.434 3.193 ( 0.834 4.238 -10.269) 11.140 3.435 ( -10.941 -0.919 12.261) 16.459 3.877 ( -2.019 -10.273 12.429) 16.251 3.967 ( 0.858 -6.405 1.790) 6.705 4.628 ( 4.465 -0.901 4.980) 6.749 4.812 ( 2.662 -2.868 -1.640) 4.243 5.120 ( 8.819 5.287 -4.648) 11.284 5.964 ( -6.314 8.282 -9.379) 14.015 6.241 ( -9.981 2.198 -12.986) 16.525 6.477 ( 9.169 -2.714 0.420) 9.572 6.648 ( 1.793 5.721 9.445) 11.188 6.800 ( -4.996 -8.518 9.240) 13.524 7.331 ( -2.073 -4.503 2.654) 5.623 10.348 ( -3.656 -5.702 5.771) 8.898 10.503 ( -4.773 -0.565 3.238) 5.795 10.624 ( 1.993 -4.533 -3.611) 6.128 11.415 ( 0.455 6.408 -3.533) 7.331 12.490 ( -5.771 -0.479 -6.508) 8.711 12.606 ( -4.587 -0.737 -9.659) 10.718 13.134 ( -4.482 6.475 23.479) 24.765 14.057 ( 0.591 7.066 -1.738) 7.301 14.919 ( -4.032 1.960 -2.931) 5.356 15.126 ( -10.721 -0.621 3.688) 11.354 15.698 ( -9.833 -0.120 -2.996) 10.280 16.337 ( -11.501 -3.388 -7.224) 13.997 17.611 ( 18.596 10.141 -1.700) 21.250 18.188 ( 8.401 -0.627 0.267) 8.429 18.808 ( -9.980 -2.329 3.822) 10.938 19.347 ( 0.131 -5.564 -4.385) 7.086 ======================= Grid point 330 (164/251) ======================= q-point: ( 0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 5.094 0.328 5.935) 7.828 1.783 ( 6.309 1.375 1.642) 6.663 1.953 ( 3.775 4.577 -3.622) 6.951 2.170 ( -2.242 -3.063 -2.109) 4.342 2.571 ( 21.051 -3.501 2.916) 21.539 2.592 ( -10.648 3.220 0.315) 11.128 2.866 ( 0.016 10.745 -12.929) 16.811 3.328 ( -2.517 -9.659 1.256) 10.060 3.441 ( -8.011 -3.591 12.389) 15.184 4.046 ( -5.440 -7.775 5.978) 11.215 4.098 ( 0.532 -5.604 5.867) 8.131 4.657 ( 0.257 2.434 10.704) 10.981 4.910 ( 1.701 -4.616 -2.454) 5.497 5.076 ( 7.518 4.822 0.535) 8.947 5.739 ( -6.230 5.486 -8.901) 12.171 6.061 ( -9.407 5.396 -9.149) 14.189 6.513 ( -0.588 7.796 10.717) 13.266 6.619 ( 7.319 -2.542 -2.721) 8.212 6.995 ( 0.711 -9.870 6.302) 11.732 7.421 ( -1.621 -5.131 4.078) 6.751 10.480 ( -4.073 -7.994 7.994) 12.016 10.507 ( -0.246 -1.661 4.968) 5.244 10.729 ( 3.768 -4.438 -4.451) 7.328 11.283 ( -0.258 6.480 -1.989) 6.784 12.436 ( -6.632 -0.513 -1.534) 6.827 12.533 ( -1.732 1.481 -10.049) 10.304 13.084 ( -6.011 0.646 18.160) 19.140 13.911 ( 1.106 7.805 -1.441) 8.013 14.824 ( -3.945 2.536 -3.072) 5.607 15.150 ( -7.348 -6.881 3.402) 10.626 15.615 ( -4.315 2.418 0.489) 4.970 16.265 ( -11.040 -1.965 -8.735) 14.214 17.593 ( 20.772 8.559 -2.032) 22.558 18.220 ( 0.858 1.654 -0.782) 2.021 18.804 ( -6.911 -3.801 5.944) 9.877 19.438 ( -0.781 -5.057 -3.660) 6.292 ======================= Grid point 331 (165/251) ======================= q-point: (-0.40 -0.80 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 8.152 1.625 3.083) 8.866 1.801 ( 2.759 -0.567 -3.876) 4.791 1.870 ( 4.850 6.294 -4.903) 9.337 2.155 ( -8.879 0.518 -0.278) 8.898 2.516 ( -2.970 -1.305 -5.697) 6.556 2.629 ( 4.817 9.294 -11.626) 15.644 2.857 ( 19.558 -5.738 1.726) 20.455 3.399 ( -10.090 -5.132 -2.266) 11.545 3.526 ( -0.727 -3.656 12.698) 13.234 4.121 ( -6.022 -3.450 2.221) 7.287 4.230 ( 0.486 -5.866 7.037) 9.174 4.589 ( -7.189 5.340 7.566) 11.724 4.874 ( -3.241 4.038 3.233) 6.104 5.169 ( 11.739 -2.454 3.283) 12.434 5.653 ( -2.546 -2.342 -3.515) 4.932 5.845 ( -7.960 6.369 -5.772) 11.716 6.366 ( -3.166 8.649 10.860) 14.239 6.719 ( 6.639 -2.763 -6.027) 9.383 7.193 ( 0.664 -8.032 4.364) 9.165 7.509 ( -0.821 -3.556 2.863) 4.638 10.531 ( -1.814 -1.808 4.521) 5.197 10.656 ( 0.746 -6.755 8.923) 11.216 10.800 ( 1.664 -1.248 -3.247) 3.856 11.159 ( -1.347 5.142 -1.374) 5.490 12.410 ( -3.544 -1.748 0.831) 4.038 12.504 ( 1.377 -1.406 -6.869) 7.145 13.089 ( -6.698 -1.279 12.996) 14.677 13.792 ( 1.053 4.397 -2.787) 5.311 14.766 ( -1.223 0.725 1.691) 2.210 15.248 ( -5.296 -7.533 -1.547) 9.337 15.548 ( -1.132 2.762 7.669) 8.229 16.219 ( -8.747 -4.893 -9.302) 13.674 17.593 ( 22.509 9.441 -2.322) 24.519 18.123 ( -9.772 3.890 -2.913) 10.913 18.889 ( -0.177 -5.764 7.591) 9.533 19.494 ( -2.107 -2.720 -2.829) 4.454 ======================= Grid point 332 (166/251) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 8.095 3.954 0.519) 9.024 1.756 ( 5.340 6.752 -3.121) 9.157 1.864 ( 2.209 -3.449 -5.324) 6.717 2.015 ( -13.587 4.292 1.326) 14.311 2.398 ( 5.320 9.816 -9.725) 14.806 2.593 ( 1.182 -3.097 -10.013) 10.548 3.148 ( 20.291 -7.025 0.129) 21.473 3.409 ( -11.529 -6.357 -2.779) 13.455 3.603 ( -0.070 -1.311 8.628) 8.727 4.077 ( -4.090 4.956 7.454) 9.841 4.340 ( 0.324 0.103 5.300) 5.310 4.410 ( -13.312 0.503 -1.091) 13.366 4.840 ( 1.181 1.096 9.528) 9.664 5.228 ( 3.483 5.207 2.342) 6.688 5.721 ( 0.895 -2.783 0.715) 3.010 5.753 ( -0.032 -4.081 0.032) 4.081 6.206 ( -4.429 6.791 9.371) 12.391 6.795 ( 3.356 -3.255 -9.399) 10.498 7.326 ( -1.167 -4.984 3.152) 6.011 7.536 ( -1.099 0.992 -0.282) 1.507 10.546 ( -0.838 1.007 5.109) 5.274 10.769 ( -0.931 -0.221 2.036) 2.250 10.811 ( 0.757 -3.104 3.057) 4.422 11.060 ( -3.230 2.940 -2.052) 4.826 12.454 ( 1.048 -3.444 0.096) 3.601 12.565 ( 2.072 -4.451 -2.442) 5.483 13.082 ( -5.108 0.395 10.682) 11.847 13.760 ( -0.830 -1.986 -3.684) 4.267 14.796 ( 3.015 -1.909 6.690) 7.582 15.289 ( -0.950 0.877 -2.217) 2.567 15.585 ( -4.030 -6.964 10.384) 13.136 16.261 ( -3.764 -7.317 -9.122) 12.285 17.584 ( 23.086 10.214 -2.171) 25.338 17.921 ( -16.426 4.128 -4.926) 17.638 19.033 ( 2.990 -5.023 7.836) 9.776 19.488 ( -3.214 0.236 -2.242) 3.925 ======================= Grid point 333 (167/251) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.874 10.751 -0.657) 10.807 1.701 ( 5.604 7.880 6.651) 11.736 1.784 ( -7.809 3.496 -4.554) 9.693 1.965 ( 0.274 -4.824 -4.243) 6.431 2.271 ( 3.294 4.828 -3.525) 6.825 2.634 ( 2.076 -3.084 -9.722) 10.409 3.410 ( 10.365 -2.855 -2.729) 11.092 3.450 ( -5.545 -8.489 -5.975) 11.769 3.607 ( 2.136 3.610 8.021) 9.052 3.981 ( -1.598 3.130 12.608) 13.089 4.173 ( -8.772 7.001 -2.359) 11.469 4.461 ( -3.514 -5.551 2.803) 7.143 4.801 ( -3.682 7.129 7.463) 10.957 5.150 ( 5.122 3.501 -0.327) 6.213 5.794 ( -0.775 2.488 5.766) 6.328 5.831 ( 4.434 -4.274 5.111) 8.003 6.171 ( 0.070 -4.245 5.403) 6.871 6.844 ( -0.891 -4.060 -12.877) 13.532 7.382 ( -5.710 -2.032 1.839) 6.334 7.441 ( 0.116 6.860 -2.201) 7.205 10.501 ( 0.127 4.455 4.793) 6.544 10.738 ( -5.190 -0.221 2.358) 5.705 10.888 ( -1.156 -0.722 0.436) 1.431 11.002 ( -0.317 -1.571 -0.286) 1.628 12.537 ( 1.834 -3.388 -0.256) 3.861 12.670 ( 2.521 -4.620 -2.152) 5.686 13.064 ( -3.671 0.864 12.685) 13.233 13.824 ( -2.500 -6.887 -3.806) 8.257 14.919 ( 4.715 -4.961 8.724) 11.088 15.220 ( 0.711 5.092 2.869) 5.888 15.772 ( -7.003 -13.614 6.447) 16.612 16.378 ( 3.438 -7.487 -8.107) 11.559 17.554 ( 13.621 9.671 -0.453) 16.711 17.708 ( -9.851 3.127 -8.174) 13.177 19.145 ( 1.324 -1.847 7.030) 7.388 19.431 ( -2.377 2.268 -1.638) 3.671 ======================= Grid point 334 (168/251) ======================= q-point: (-0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -4.891 8.388 6.908) 11.916 1.543 ( -3.236 7.252 6.763) 10.431 1.746 ( 5.994 4.320 1.520) 7.543 2.049 ( 1.772 -4.124 -4.161) 6.120 2.239 ( -0.914 -0.545 1.032) 1.482 2.706 ( 3.022 -5.053 -8.026) 9.954 3.411 ( -8.974 3.397 0.454) 9.606 3.447 ( -2.299 -0.130 -1.402) 2.696 3.663 ( 15.656 3.939 2.758) 16.378 3.907 ( -11.735 5.084 -0.827) 12.815 4.048 ( 0.745 1.179 5.929) 6.091 4.512 ( -2.628 2.526 9.659) 10.324 4.661 ( -3.024 -1.819 -2.880) 4.555 5.095 ( 3.257 7.879 -4.827) 9.798 5.788 ( 4.809 -0.934 11.508) 12.508 5.962 ( 3.773 -3.744 6.810) 8.639 6.319 ( 4.394 -5.949 1.366) 7.521 6.859 ( -5.091 -4.066 -15.718) 17.015 7.201 ( -7.624 10.064 0.263) 12.628 7.410 ( -0.656 0.202 0.517) 0.860 10.432 ( 0.005 3.757 4.502) 5.864 10.708 ( -6.439 -0.380 4.368) 7.790 10.812 ( -5.764 2.599 -2.811) 6.919 11.130 ( 5.308 -7.014 1.379) 8.903 12.600 ( 0.547 -2.454 -2.161) 3.315 12.745 ( 4.932 -0.314 -4.294) 6.547 13.069 ( -7.715 -1.995 18.203) 19.871 13.948 ( -1.740 -8.713 -4.249) 9.849 15.058 ( -2.216 -2.738 5.815) 6.798 15.182 ( 4.383 -1.047 6.441) 7.861 15.985 ( -11.340 -13.789 3.630) 18.218 16.566 ( 12.450 -8.116 -5.969) 16.015 17.373 ( -15.337 6.280 -2.684) 16.789 17.662 ( 18.063 4.936 -6.527) 19.830 19.144 ( -4.194 2.278 5.147) 7.020 19.377 ( 1.444 2.603 -0.618) 3.041 ======================= Grid point 338 (169/251) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 0.696 0.000 9.229) 9.255 1.631 ( 0.052 0.000 10.255) 10.255 2.141 ( 7.233 0.000 7.409) 10.354 2.142 ( -2.892 -0.000 5.369) 6.098 2.403 ( 18.891 0.000 4.497) 19.419 2.602 ( -7.078 -0.000 4.565) 8.423 2.879 ( -1.963 -0.000 8.068) 8.303 3.473 ( 4.722 0.000 8.719) 9.915 3.511 ( -6.092 -0.000 8.936) 10.815 3.555 ( -12.082 -0.000 2.381) 12.314 3.772 ( 5.037 0.000 -7.947) 9.409 4.595 ( 10.088 0.000 -4.047) 10.870 4.712 ( -4.962 -0.000 8.915) 10.203 5.308 ( 15.440 0.000 -16.559) 22.640 6.179 ( -2.140 -0.000 -2.111) 3.006 6.213 ( -13.658 -0.000 -22.516) 26.334 6.407 ( 5.653 0.000 -0.475) 5.673 6.574 ( -4.908 -0.000 23.054) 23.570 6.795 ( -2.663 -0.000 4.609) 5.323 7.239 ( -1.078 -0.000 -0.308) 1.121 10.244 ( -3.700 -0.000 -0.658) 3.759 10.473 ( -3.579 -0.000 -2.061) 4.130 10.538 ( -4.076 -0.000 3.345) 5.273 11.558 ( -0.754 -0.000 -7.560) 7.597 12.482 ( -9.086 -0.000 -3.512) 9.741 12.532 ( -1.208 -0.000 -11.183) 11.248 13.362 ( -1.025 -0.000 22.399) 22.423 14.195 ( 1.137 0.000 -2.404) 2.659 14.933 ( -6.113 -0.000 3.569) 7.079 15.264 ( -11.353 -0.000 -10.933) 15.761 15.592 ( -20.139 -0.000 4.133) 20.558 16.213 ( -4.778 -0.000 -5.163) 7.035 18.024 ( 15.736 0.000 2.308) 15.905 18.027 ( 8.269 0.000 -3.942) 9.160 18.745 ( -8.759 -0.000 1.325) 8.859 19.219 ( -0.091 -0.000 -5.282) 5.283 ======================= Grid point 339 (170/251) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 1.453 2.967 7.127) 7.855 1.675 ( -2.173 -4.503 11.746) 12.766 2.099 ( -4.293 1.121 5.637) 7.173 2.163 ( 5.932 4.389 1.486) 7.527 2.540 ( 15.918 -0.035 -1.125) 15.957 2.748 ( -4.283 -13.580 6.242) 15.547 2.859 ( 4.560 6.946 9.331) 12.495 3.332 ( -0.889 8.236 -0.954) 8.338 3.381 ( -14.730 2.931 7.613) 16.838 3.721 ( 2.649 -9.132 7.230) 11.945 3.866 ( 2.198 -5.880 2.885) 6.908 4.665 ( 5.044 -0.328 3.298) 6.036 4.745 ( 0.077 -3.922 3.083) 4.989 5.311 ( 11.868 6.419 -12.376) 18.309 5.985 ( -12.139 4.740 -18.199) 22.384 6.145 ( -6.624 0.289 -8.792) 11.012 6.488 ( 7.485 -3.191 -0.959) 8.193 6.631 ( -9.856 -6.077 11.852) 16.569 6.780 ( 1.755 2.624 12.807) 13.190 7.259 ( 0.047 -2.184 1.099) 2.445 10.243 ( -3.041 -2.900 1.160) 4.360 10.466 ( -2.331 -1.448 2.021) 3.408 10.546 ( 0.129 -3.086 -2.118) 3.745 11.488 ( -2.152 3.310 -7.477) 8.455 12.390 ( -10.063 -0.602 -5.835) 11.648 12.514 ( -2.688 -2.202 -11.204) 11.730 13.338 ( -0.931 8.220 23.901) 25.292 14.164 ( 1.009 3.835 -1.121) 4.121 14.898 ( -4.659 -0.418 0.256) 4.684 15.073 ( -11.268 4.788 -4.537) 13.056 15.531 ( -13.757 -5.633 -0.430) 14.872 16.197 ( -4.071 -2.482 -6.637) 8.172 17.925 ( 11.849 9.563 -1.634) 15.314 18.224 ( 7.496 -3.130 0.564) 8.143 18.701 ( -8.256 -1.734 2.816) 8.894 19.236 ( -0.502 -3.648 -6.289) 7.288 ======================= Grid point 340 (171/251) ======================= q-point: (-0.50 -0.70 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 2.868 1.118 5.656) 6.440 1.773 ( -4.031 -4.312 8.632) 10.458 2.087 ( -4.520 -1.111 3.556) 5.858 2.121 ( 8.957 4.299 -4.091) 10.744 2.564 ( -9.170 4.034 0.592) 10.036 2.803 ( 22.652 6.423 3.696) 23.833 2.933 ( -5.139 -3.369 -1.287) 6.278 3.205 ( 3.733 0.788 -3.833) 5.408 3.336 ( -8.425 -3.919 14.303) 17.057 3.896 ( -1.813 -6.413 5.978) 8.953 4.012 ( 0.432 -6.161 8.008) 10.113 4.710 ( -1.054 -0.002 9.817) 9.873 4.843 ( 3.585 -3.768 -1.273) 5.355 5.235 ( 8.244 5.960 -5.070) 11.366 5.743 ( -10.744 5.009 -16.273) 20.133 6.024 ( -8.848 2.854 -10.066) 13.702 6.614 ( -1.804 -0.261 4.098) 4.485 6.637 ( 3.459 -1.530 1.888) 4.227 6.873 ( 2.569 -5.929 13.999) 15.418 7.325 ( 0.136 -4.221 1.815) 4.597 10.319 ( -3.410 -6.786 4.839) 9.005 10.497 ( 0.862 -1.595 6.014) 6.281 10.646 ( 4.118 -5.942 -6.101) 9.460 11.373 ( -2.393 4.651 -5.653) 7.701 12.324 ( -9.363 -2.636 -5.696) 11.272 12.494 ( -1.852 -0.970 -11.704) 11.889 13.206 ( -3.308 9.524 24.477) 26.472 14.061 ( 0.772 7.115 -0.625) 7.183 14.838 ( -2.618 3.067 -5.669) 6.957 14.976 ( -9.725 -4.340 2.399) 10.917 15.544 ( -6.854 -4.552 -1.515) 8.367 16.165 ( -4.814 0.160 -8.053) 9.383 17.879 ( 15.357 6.309 -1.108) 16.640 18.266 ( -0.255 2.196 -0.118) 2.214 18.699 ( -4.995 -3.277 5.698) 8.256 19.304 ( -1.608 -5.810 -6.398) 8.791 ======================= Grid point 341 (172/251) ======================= q-point: (-0.40 -0.70 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 3.174 -1.348 2.015) 3.994 1.812 ( -2.636 -1.045 3.405) 4.431 2.039 ( 1.573 4.380 1.091) 4.780 2.115 ( 0.542 3.203 -3.556) 4.817 2.412 ( -8.781 -1.285 -0.753) 8.906 2.814 ( 1.773 7.793 -8.469) 11.645 2.963 ( 20.875 -0.596 0.820) 20.900 3.244 ( -4.938 -2.987 -3.116) 6.559 3.467 ( 1.206 -6.478 15.469) 16.814 3.982 ( -5.993 -5.450 4.197) 9.123 4.147 ( 0.041 -5.348 7.957) 9.587 4.657 ( -7.217 4.913 6.118) 10.661 4.914 ( 1.923 0.158 5.268) 5.610 5.243 ( 9.906 -0.351 -0.149) 9.913 5.573 ( -6.501 0.061 -10.828) 12.630 5.844 ( -10.719 4.466 -9.154) 14.786 6.508 ( -6.130 6.207 9.622) 12.988 6.752 ( 9.894 -0.949 -2.270) 10.196 7.066 ( 1.695 -7.963 9.146) 12.245 7.425 ( 0.598 -5.114 1.263) 5.301 10.445 ( -3.325 -6.727 5.152) 9.103 10.590 ( 3.843 -4.082 9.133) 10.716 10.765 ( 4.171 -3.706 -5.615) 7.916 11.245 ( -2.224 5.304 -3.715) 6.847 12.313 ( -5.908 -4.272 -3.619) 8.140 12.469 ( 0.629 -0.792 -10.094) 10.144 13.096 ( -6.107 4.406 21.750) 23.017 13.915 ( 0.520 7.907 -2.239) 8.234 14.767 ( -1.708 0.761 -0.637) 1.975 15.032 ( -7.289 -7.860 -1.283) 10.796 15.580 ( -0.475 -1.834 1.932) 2.706 16.091 ( -4.438 -0.047 -8.611) 9.687 17.903 ( 17.996 5.944 -1.408) 19.005 18.137 ( -9.823 6.158 -1.452) 11.684 18.796 ( 0.986 -6.226 8.071) 10.241 19.378 ( -3.245 -5.390 -5.642) 8.451 ======================= Grid point 342 (173/251) ======================= q-point: (-0.30 -0.70 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 2.893 -1.799 -1.262) 3.633 1.806 ( 0.221 0.163 -2.582) 2.596 1.961 ( 2.913 5.612 -0.520) 6.345 1.996 ( -5.886 4.940 3.169) 8.312 2.462 ( -0.114 -5.951 -7.554) 9.617 2.636 ( 4.800 10.474 -11.767) 16.468 3.116 ( -2.547 -4.697 0.416) 5.359 3.277 ( 9.376 -2.861 -4.276) 10.694 3.618 ( 3.932 -2.666 13.575) 14.382 4.052 ( -5.625 -5.163 4.945) 9.097 4.256 ( -1.918 -4.326 5.537) 7.284 4.456 ( -9.310 8.612 1.218) 12.741 4.913 ( 1.212 2.579 11.090) 11.450 5.341 ( 7.020 1.196 1.418) 7.261 5.599 ( -1.333 -7.754 -3.552) 8.632 5.674 ( -8.511 0.202 -5.606) 10.193 6.346 ( -6.137 8.163 9.815) 14.165 6.810 ( 8.094 1.344 -5.357) 9.799 7.229 ( -0.310 -5.779 6.912) 9.015 7.515 ( 0.871 -2.759 -0.375) 2.917 10.534 ( -1.216 -3.119 4.787) 5.841 10.742 ( 3.036 -5.206 8.923) 10.768 10.800 ( 1.196 0.994 -3.315) 3.661 11.114 ( -2.556 5.408 -2.482) 6.476 12.373 ( -0.791 -5.384 -1.260) 5.586 12.493 ( 1.950 -3.158 -6.938) 7.868 13.057 ( -7.184 -0.024 16.927) 18.388 13.778 ( -0.102 5.044 -3.969) 6.420 14.785 ( 0.314 -2.345 5.068) 5.593 15.139 ( -5.055 -9.221 -4.321) 11.369 15.592 ( 0.922 2.521 7.761) 8.212 16.097 ( 0.359 -5.660 -9.371) 10.954 17.867 ( -10.813 7.373 -1.571) 13.182 17.941 ( 13.214 7.578 -3.137) 15.552 18.970 ( 3.574 -6.683 8.768) 11.589 19.416 ( -4.532 -3.260 -4.590) 7.228 ======================= Grid point 343 (174/251) ======================= q-point: (-0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 3.856 4.573 -3.587) 6.975 1.787 ( -12.816 7.510 -0.401) 14.860 1.828 ( 0.886 -3.636 -5.572) 6.712 1.945 ( 10.238 4.364 5.168) 12.270 2.438 ( 5.424 10.141 -9.933) 15.196 2.546 ( 0.593 -4.745 -9.444) 10.586 3.151 ( -14.250 -8.728 -4.165) 17.221 3.429 ( 9.275 -2.904 -3.990) 10.506 3.738 ( 12.050 -0.266 12.420) 17.307 4.091 ( -1.072 1.025 9.861) 9.972 4.171 ( -12.815 5.604 -2.810) 14.266 4.370 ( -0.758 -2.697 3.752) 4.683 4.905 ( -0.749 3.323 10.846) 11.368 5.259 ( -0.275 6.052 -1.227) 6.181 5.718 ( -1.346 -6.258 0.679) 6.436 5.778 ( 1.734 -9.315 1.436) 9.583 6.184 ( -4.429 5.257 9.342) 11.598 6.806 ( 4.305 2.055 -9.338) 10.485 7.312 ( -2.959 -2.357 4.309) 5.734 7.522 ( 0.236 2.223 -1.173) 2.525 10.571 ( -0.096 0.372 5.257) 5.271 10.743 ( -2.022 3.286 -0.084) 3.859 10.863 ( 1.419 -2.563 4.796) 5.620 10.999 ( -2.051 2.859 -1.366) 3.775 12.473 ( 0.763 -4.351 0.557) 4.452 12.573 ( 0.976 -5.201 -3.919) 6.585 13.067 ( -4.284 -1.396 11.890) 12.716 13.718 ( -1.173 -0.715 -3.439) 3.703 14.874 ( 0.173 -4.416 7.563) 8.760 15.254 ( -0.147 -4.961 -4.740) 6.863 15.573 ( -4.508 -1.156 10.870) 11.824 16.253 ( 8.659 -8.725 -8.185) 14.768 17.580 ( -20.313 6.427 -3.538) 21.597 17.927 ( 18.782 8.043 -3.332) 20.702 19.122 ( 1.042 -3.771 7.815) 8.740 19.411 ( -3.142 -1.180 -2.895) 4.433 ======================= Grid point 344 (175/251) ======================= q-point: (-0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -7.790 12.334 -0.261) 14.591 1.636 ( 0.171 4.651 -2.049) 5.086 1.914 ( 6.391 -3.262 -4.996) 8.743 1.966 ( 6.413 3.041 5.646) 9.069 2.301 ( 2.802 5.570 -4.451) 7.661 2.617 ( 2.234 -4.504 -8.086) 9.522 3.199 ( -13.139 -9.365 -8.483) 18.229 3.467 ( -1.951 1.149 2.107) 3.092 3.869 ( 11.296 4.089 4.010) 12.665 3.943 ( -5.773 6.100 3.150) 8.970 4.118 ( 4.006 0.328 7.924) 8.885 4.439 ( -1.708 -5.046 1.660) 5.580 4.766 ( -5.118 10.337 8.161) 14.130 5.204 ( 1.387 1.867 -2.483) 3.402 5.781 ( -3.258 -2.246 4.616) 6.080 5.945 ( 4.946 -4.947 5.542) 8.925 6.217 ( 1.055 -7.218 6.191) 9.567 6.754 ( -0.647 1.387 -13.637) 13.723 7.267 ( -6.901 4.166 -0.178) 8.063 7.462 ( 0.905 3.498 2.559) 4.427 10.536 ( 0.463 4.683 4.558) 6.551 10.677 ( -4.661 1.096 4.856) 6.820 10.824 ( -3.681 3.561 -3.060) 5.966 11.049 ( 3.593 -5.389 2.596) 6.978 12.541 ( -1.224 -2.877 0.676) 3.199 12.669 ( -1.251 -5.560 -2.298) 6.144 13.089 ( -1.432 0.688 10.059) 10.183 13.769 ( -1.556 -6.514 -2.511) 7.152 14.974 ( -3.105 -4.705 5.316) 7.749 15.267 ( 2.881 3.299 2.481) 5.034 15.669 ( -8.648 -10.980 6.004) 15.212 16.500 ( 14.620 -8.755 -5.690) 17.966 17.296 ( -20.274 4.363 -5.494) 21.454 17.922 ( 17.696 6.796 -3.692) 19.312 19.146 ( -6.128 0.720 5.024) 7.957 19.415 ( 1.962 0.044 -0.100) 1.965 ======================= Grid point 349 (176/251) ======================= q-point: (-0.60 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -3.847 -0.000 11.572) 12.195 1.684 ( 0.103 0.000 9.160) 9.161 2.106 ( -5.808 -0.000 6.778) 8.926 2.237 ( 2.704 0.000 -2.264) 3.526 2.595 ( 0.892 0.000 10.156) 10.195 2.619 ( 5.088 0.000 0.544) 5.117 3.077 ( 18.727 0.000 10.942) 21.690 3.279 ( -20.073 -0.000 9.047) 22.018 3.430 ( -5.196 -0.000 -1.129) 5.317 3.667 ( 9.915 0.000 2.270) 10.171 3.833 ( 1.942 0.000 7.001) 7.265 4.691 ( -3.905 -0.000 9.062) 9.868 4.740 ( 9.576 0.000 -1.726) 9.730 5.435 ( 10.142 0.000 -14.180) 17.433 5.854 ( -14.191 -0.000 -22.348) 26.473 6.093 ( -5.602 -0.000 -6.401) 8.506 6.495 ( -13.622 -0.000 11.107) 17.576 6.505 ( 7.378 0.000 -2.603) 7.824 6.846 ( -0.308 -0.000 14.444) 14.447 7.257 ( 2.758 0.000 1.454) 3.117 10.203 ( -0.251 -0.000 -1.466) 1.488 10.430 ( -0.767 -0.000 -1.696) 1.861 10.516 ( 0.086 0.000 1.815) 1.817 11.465 ( -4.427 -0.000 -10.038) 10.971 12.284 ( -11.198 -0.000 -4.694) 12.142 12.435 ( -2.262 -0.000 -12.086) 12.296 13.498 ( 1.471 0.000 23.052) 23.099 14.211 ( 1.770 0.000 -0.234) 1.785 14.846 ( -6.161 -0.000 1.480) 6.336 15.048 ( -6.545 -0.000 -11.415) 13.158 15.342 ( -14.046 -0.000 5.607) 15.124 16.137 ( -0.837 -0.000 -7.149) 7.198 18.106 ( 4.120 0.000 -1.817) 4.503 18.219 ( 6.343 0.000 -0.546) 6.366 18.641 ( -4.156 -0.000 3.579) 5.485 19.176 ( -0.806 -0.000 -7.327) 7.371 ======================= Grid point 350 (177/251) ======================= q-point: (-0.50 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -4.162 -2.223 8.878) 10.054 1.691 ( -1.226 0.414 10.947) 11.023 2.044 ( -6.412 1.112 4.387) 7.848 2.227 ( 3.189 1.921 -3.459) 5.082 2.607 ( -3.036 4.798 3.347) 6.591 2.753 ( -0.593 -9.481 6.872) 11.724 3.092 ( 0.884 4.811 5.409) 7.293 3.260 ( 2.390 0.760 8.143) 8.521 3.328 ( 6.202 4.276 -0.078) 7.533 3.809 ( 4.109 -4.471 2.660) 6.630 3.922 ( -0.628 -5.218 11.330) 12.490 4.698 ( -3.924 -1.015 8.644) 9.547 4.835 ( 8.533 -2.147 -0.209) 8.801 5.396 ( 5.949 6.018 -9.094) 12.422 5.656 ( -13.152 2.140 -20.485) 24.438 5.990 ( -7.459 2.831 -9.500) 12.406 6.491 ( -11.340 -6.618 6.552) 14.674 6.614 ( 8.611 -4.800 -1.969) 10.053 6.879 ( -1.013 -0.339 15.812) 15.848 7.298 ( 3.851 -0.976 1.263) 4.169 10.221 ( -0.049 -2.280 0.576) 2.352 10.471 ( 1.295 -3.927 0.404) 4.154 10.563 ( 3.744 -3.509 -0.564) 5.162 11.380 ( -5.057 1.547 -9.767) 11.107 12.191 ( -9.667 -1.028 -4.712) 10.803 12.410 ( -1.628 -2.217 -12.001) 12.312 13.471 ( 0.538 10.112 23.859) 25.919 14.184 ( 1.756 4.492 0.324) 4.834 14.822 ( -4.418 -2.104 -1.234) 5.047 14.903 ( -5.605 5.141 -5.568) 9.426 15.355 ( -8.198 -7.729 2.090) 11.459 16.122 ( -0.510 -0.393 -8.014) 8.040 18.072 ( 7.739 4.232 -0.652) 8.845 18.265 ( -3.432 -0.752 -1.613) 3.866 18.651 ( 0.482 -1.282 5.551) 5.717 19.179 ( -1.556 -3.372 -8.001) 8.821 ======================= Grid point 351 (178/251) ======================= q-point: (-0.40 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -0.084 0.438 4.393) 4.415 1.734 ( -5.049 -3.503 8.747) 10.690 2.001 ( -8.526 -1.092 3.498) 9.280 2.229 ( 6.134 0.098 -4.706) 7.732 2.406 ( -8.872 9.560 4.783) 13.892 2.849 ( -4.218 -1.462 -1.625) 4.751 3.091 ( 1.177 0.868 0.072) 1.464 3.255 ( 11.776 0.637 -0.345) 11.798 3.440 ( 11.118 -2.598 13.005) 17.306 3.874 ( -3.634 -1.980 2.249) 4.710 4.059 ( -1.589 -6.091 11.375) 13.000 4.676 ( -7.456 1.661 6.433) 9.987 4.949 ( 7.002 -1.811 4.189) 8.358 5.322 ( 5.172 3.130 -2.919) 6.713 5.477 ( -9.526 0.400 -16.383) 18.955 5.819 ( -9.443 4.585 -10.765) 15.036 6.522 ( -8.668 -1.652 6.718) 11.090 6.783 ( 10.166 -4.296 -1.359) 11.120 6.968 ( -0.751 -5.839 12.652) 13.955 7.366 ( 4.161 -2.608 0.166) 4.914 10.302 ( -1.336 -6.123 3.440) 7.150 10.577 ( 3.615 -3.859 6.381) 8.287 10.698 ( 6.750 -5.747 -4.923) 10.140 11.279 ( -4.209 2.308 -7.844) 9.197 12.157 ( -6.840 -4.150 -4.384) 9.123 12.416 ( 0.481 -2.191 -11.220) 11.442 13.301 ( -2.330 12.716 25.227) 28.346 14.072 ( 0.958 8.051 -0.860) 8.153 14.775 ( -3.245 2.608 -1.373) 4.383 14.853 ( -3.933 -4.951 -3.023) 7.008 15.476 ( -0.953 -8.017 0.867) 8.120 16.076 ( -0.853 2.130 -8.175) 8.491 18.092 ( 8.193 2.849 -0.064) 8.675 18.166 ( -7.155 3.956 -1.849) 8.382 18.735 ( 3.689 -3.937 7.382) 9.143 19.225 ( -3.057 -5.384 -7.775) 9.939 ======================= Grid point 352 (179/251) ======================= q-point: (-0.30 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -0.860 -1.086 0.809) 1.604 1.765 ( -5.014 -2.072 2.244) 5.871 1.950 ( -8.305 0.234 4.575) 9.484 2.187 ( 4.219 8.612 -0.043) 9.590 2.321 ( -0.850 -5.521 -3.168) 6.422 2.786 ( -0.182 4.144 -6.025) 7.315 3.029 ( -7.283 2.177 -3.993) 8.586 3.369 ( 16.946 0.591 -3.356) 17.286 3.649 ( 10.357 -4.529 15.447) 19.141 3.887 ( -7.908 -5.025 3.183) 9.896 4.179 ( -2.420 -4.950 9.441) 10.931 4.537 ( -9.213 6.726 2.868) 11.762 5.004 ( 1.995 1.780 9.146) 9.529 5.367 ( 4.489 -3.251 0.008) 5.542 5.444 ( -0.611 -5.491 -8.606) 10.226 5.613 ( -10.960 4.740 -9.539) 15.283 6.443 ( -7.733 4.687 8.591) 12.473 6.900 ( 9.714 0.466 -2.665) 10.084 7.129 ( -0.210 -7.268 8.255) 11.001 7.462 ( 3.625 -3.728 -0.477) 5.222 10.432 ( -1.820 -6.893 4.462) 8.410 10.705 ( 3.573 -3.968 6.720) 8.583 10.816 ( 5.979 -1.699 -2.763) 6.802 11.177 ( -2.883 3.673 -5.332) 7.087 12.221 ( -2.331 -7.683 -3.878) 8.917 12.440 ( 2.562 -2.186 -9.019) 9.628 13.132 ( -5.450 8.180 24.237) 26.154 13.906 ( 0.608 8.673 -3.335) 9.312 14.744 ( -3.660 -1.725 4.215) 5.843 14.936 ( -0.829 -6.988 -4.769) 8.501 15.627 ( 4.642 -4.130 3.086) 6.938 16.016 ( 0.823 -0.193 -8.220) 8.263 17.888 ( -16.944 8.582 -1.445) 19.048 18.176 ( 14.459 3.692 -1.854) 15.037 18.897 ( 4.537 -6.558 8.638) 11.756 19.278 ( -4.278 -5.254 -6.557) 9.429 ======================= Grid point 353 (180/251) ======================= q-point: (-0.20 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -1.065 -3.335 -2.627) 4.377 1.731 ( -9.186 0.401 -0.017) 9.195 1.881 ( -0.633 4.340 -1.112) 4.524 2.121 ( 8.116 3.555 1.947) 9.072 2.415 ( -0.456 -5.390 -5.787) 7.921 2.654 ( 5.057 9.345 -11.180) 15.424 2.913 ( -13.680 -2.081 -3.547) 14.285 3.463 ( 9.298 0.275 -4.298) 10.247 3.849 ( 13.789 -2.682 14.973) 20.531 3.969 ( -7.564 -7.344 3.324) 11.054 4.241 ( -3.078 1.537 6.650) 7.487 4.341 ( -6.715 3.334 2.622) 7.943 4.997 ( 0.569 2.720 11.308) 11.645 5.354 ( -5.643 6.587 -5.721) 10.390 5.557 ( -2.048 -9.530 0.982) 9.797 5.588 ( 2.328 -8.576 -3.328) 9.489 6.291 ( -6.727 6.832 9.023) 13.166 6.907 ( 7.152 4.540 -5.781) 10.256 7.259 ( 0.020 -3.948 5.089) 6.440 7.535 ( 1.749 -1.099 -0.124) 2.069 10.540 ( -1.474 -4.231 4.719) 6.507 10.772 ( -0.617 0.297 -0.772) 1.032 10.874 ( 4.985 -0.296 5.122) 7.154 11.060 ( -1.794 4.919 -2.435) 5.774 12.368 ( 1.103 -7.845 -1.955) 8.160 12.490 ( 2.599 -2.977 -6.813) 7.876 13.051 ( -6.280 1.538 19.491) 20.535 13.761 ( 1.235 5.671 -3.807) 6.941 14.790 ( -4.667 -4.550 6.172) 8.976 15.078 ( 1.336 -8.814 -3.780) 9.683 15.655 ( 1.495 4.981 6.741) 8.515 16.133 ( 10.394 -9.464 -7.937) 16.143 17.554 ( -20.728 9.144 -2.340) 22.776 18.191 ( 14.016 6.074 -3.043) 15.575 19.064 ( 0.386 -4.944 7.278) 8.807 19.326 ( -1.741 -4.424 -3.451) 5.874 ======================= Grid point 354 (181/251) ======================= q-point: (-0.10 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -11.262 6.968 -0.868) 13.272 1.738 ( 3.501 1.690 -4.767) 6.152 1.811 ( 1.493 -1.422 -6.664) 6.976 2.166 ( 12.125 2.713 4.955) 13.376 2.421 ( -1.077 4.358 -7.499) 8.740 2.546 ( 5.698 -0.332 -9.511) 11.092 2.890 ( -13.668 -7.816 -5.305) 16.615 3.483 ( 1.152 1.082 0.389) 1.628 3.946 ( -10.638 3.550 -2.470) 11.483 4.062 ( 14.088 -0.926 11.159) 17.996 4.168 ( 3.152 0.332 10.953) 11.403 4.357 ( -2.911 -3.345 1.888) 4.819 4.935 ( -2.513 7.510 9.740) 12.553 5.201 ( -4.771 1.443 -4.011) 6.398 5.699 ( -1.608 -4.750 2.085) 5.431 5.803 ( 0.560 -12.232 -0.276) 12.248 6.178 ( -2.772 1.622 9.783) 10.296 6.821 ( 3.722 6.446 -9.286) 11.901 7.291 ( -1.092 1.620 1.195) 2.290 7.530 ( 0.052 2.183 2.684) 3.460 10.590 ( -1.511 -0.537 4.989) 5.240 10.715 ( -1.689 3.706 1.462) 4.327 10.870 ( -1.402 3.805 -1.013) 4.180 11.018 ( 3.134 -1.149 3.229) 4.644 12.481 ( -0.793 -3.288 2.289) 4.084 12.552 ( 0.061 -4.192 -5.857) 7.203 13.078 ( -2.778 -2.713 11.920) 12.537 13.700 ( 1.224 0.582 -2.294) 2.664 14.859 ( -5.834 -5.138 4.652) 9.059 15.254 ( 2.654 -7.751 -2.823) 8.665 15.567 ( -3.270 4.153 9.554) 10.919 16.432 ( 17.216 -10.436 -5.594) 20.895 17.217 ( -20.856 6.666 -4.316) 22.317 18.164 ( 12.192 6.567 -3.743) 14.345 19.101 ( -7.375 -0.826 3.820) 8.346 19.410 ( 3.535 -3.070 0.976) 4.782 ======================= Grid point 360 (182/251) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -8.614 -0.000 13.538) 16.046 1.727 ( -2.428 -0.000 9.211) 9.525 2.026 ( -6.836 -0.000 4.339) 8.097 2.246 ( 1.677 0.000 -4.548) 4.847 2.680 ( 1.072 0.000 7.200) 7.279 2.685 ( 1.395 0.000 8.619) 8.731 3.015 ( -16.721 -0.000 8.037) 18.552 3.312 ( -3.270 -0.000 0.190) 3.275 3.514 ( 22.528 0.000 1.510) 22.579 3.827 ( 8.520 0.000 -0.012) 8.520 3.896 ( -2.550 -0.000 17.037) 17.227 4.684 ( -2.844 -0.000 7.087) 7.636 4.885 ( 8.681 0.000 0.586) 8.701 5.442 ( -6.210 -0.000 -9.791) 11.595 5.540 ( -3.660 -0.000 -20.990) 21.307 5.928 ( -8.474 -0.000 -10.867) 13.780 6.322 ( -13.311 -0.000 8.043) 15.552 6.629 ( 9.969 0.000 -2.985) 10.406 6.903 ( -3.309 -0.000 15.302) 15.656 7.334 ( 5.344 0.000 1.142) 5.465 10.227 ( 4.138 0.000 -1.117) 4.287 10.409 ( 1.045 0.000 -6.591) 6.674 10.578 ( 4.465 0.000 6.605) 7.973 11.310 ( -6.790 -0.000 -11.747) 13.568 12.101 ( -7.661 -0.000 -3.221) 8.311 12.344 ( -0.102 -0.000 -11.406) 11.407 13.658 ( 2.534 0.000 21.787) 21.934 14.253 ( 3.213 0.000 0.711) 3.291 14.758 ( -4.812 -0.000 -0.003) 4.812 14.936 ( 0.463 0.000 -11.024) 11.034 15.196 ( -8.991 -0.000 8.882) 12.638 16.098 ( 1.409 0.000 -8.224) 8.344 18.155 ( 2.851 0.000 -0.244) 2.862 18.204 ( -5.742 -0.000 -2.471) 6.252 18.678 ( 4.348 0.000 5.434) 6.959 19.111 ( -1.578 -0.000 -8.725) 8.866 ======================= Grid point 361 (183/251) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -9.529 -3.015 10.896) 14.785 1.730 ( -3.652 -1.148 9.920) 10.633 1.951 ( -5.900 2.979 3.732) 7.590 2.236 ( -0.622 0.544 -1.831) 2.009 2.582 ( -3.686 10.473 7.608) 13.459 2.748 ( -2.761 -4.398 1.400) 5.378 3.026 ( -5.304 -5.983 6.568) 10.347 3.283 ( -0.465 -1.456 1.609) 2.220 3.650 ( 20.237 4.180 0.060) 20.664 3.875 ( 3.883 1.138 1.151) 4.207 3.973 ( -2.671 -4.158 17.511) 18.195 4.662 ( -5.438 1.265 5.945) 8.156 4.982 ( 8.117 -1.990 2.067) 8.609 5.321 ( -11.349 -1.042 -14.024) 18.071 5.440 ( 2.097 4.942 -8.737) 10.255 5.790 ( -9.174 3.215 -12.786) 16.062 6.347 ( -10.171 -8.767 6.123) 14.758 6.759 ( 10.191 -4.996 -2.168) 11.555 6.922 ( -3.581 -1.301 13.957) 14.468 7.385 ( 5.898 -0.428 -0.009) 5.913 10.247 ( 2.736 -0.282 0.210) 2.759 10.500 ( 4.103 -7.418 -4.611) 9.650 10.669 ( 6.754 -2.941 5.823) 9.390 11.223 ( -6.592 -0.267 -11.417) 13.186 12.051 ( -4.669 -1.063 -1.971) 5.178 12.346 ( 2.072 -2.318 -10.553) 11.001 13.618 ( 1.338 11.699 22.444) 25.345 14.222 ( 2.725 5.934 0.065) 6.530 14.742 ( -4.115 -1.448 -0.353) 4.376 14.840 ( 1.349 4.775 -5.245) 7.220 15.293 ( -1.813 -10.158 4.761) 11.364 16.086 ( 1.824 0.774 -8.396) 8.626 18.122 ( -11.010 2.436 -1.847) 11.427 18.183 ( 5.759 -1.148 0.227) 5.877 18.746 ( 5.585 -1.291 5.733) 8.107 19.099 ( -2.212 -2.820 -8.815) 9.515 ======================= Grid point 362 (184/251) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -10.103 -3.553 5.904) 12.229 1.761 ( 1.255 1.823 6.416) 6.787 1.862 ( -11.148 -1.559 5.669) 12.603 2.220 ( -5.695 -1.483 4.002) 7.117 2.392 ( 4.179 8.657 -0.975) 9.663 2.769 ( -3.968 -1.021 -2.214) 4.657 3.038 ( -2.944 2.157 -3.025) 4.740 3.435 ( 5.355 -8.445 8.327) 13.013 3.686 ( 8.269 2.779 -5.661) 10.400 3.879 ( 6.197 2.503 6.290) 9.178 4.078 ( -4.807 -4.849 16.280) 17.654 4.577 ( -8.145 3.723 5.492) 10.506 5.034 ( -1.980 0.044 0.138) 1.985 5.310 ( 1.121 -6.171 -8.931) 10.913 5.379 ( 3.070 1.872 0.371) 3.615 5.600 ( -9.156 4.750 -12.408) 16.136 6.425 ( -7.622 -3.039 6.425) 10.422 6.937 ( 9.235 -5.300 -2.426) 10.920 6.998 ( -2.191 -5.607 9.694) 11.411 7.449 ( 5.716 -1.555 -0.887) 5.989 10.313 ( 0.428 -4.776 2.554) 5.433 10.666 ( 5.023 -5.532 0.967) 7.534 10.815 ( 7.797 -3.948 2.116) 8.992 11.154 ( -4.893 -0.531 -9.898) 11.055 12.071 ( -1.333 -4.582 -1.524) 5.009 12.393 ( 4.029 -2.694 -9.217) 10.414 13.408 ( -2.237 15.427 24.705) 29.211 14.085 ( 1.942 9.448 -2.115) 9.875 14.698 ( -5.586 0.606 2.512) 6.155 14.848 ( 4.547 -2.967 -3.079) 6.242 15.529 ( 6.592 -10.845 2.312) 12.900 16.040 ( 1.890 2.909 -7.749) 8.490 17.906 ( -16.588 7.707 -1.608) 18.361 18.284 ( 8.770 -1.919 -0.793) 9.013 18.858 ( 5.610 -3.948 6.921) 9.745 19.129 ( -2.793 -4.777 -7.646) 9.438 ======================= Grid point 363 (185/251) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -9.134 -3.521 2.671) 10.147 1.690 ( -5.452 1.975 1.605) 6.016 1.888 ( -2.009 -2.752 2.837) 4.434 2.200 ( -2.313 1.056 2.015) 3.244 2.352 ( 4.400 -0.668 -2.255) 4.989 2.733 ( -2.618 0.708 -2.535) 3.712 2.891 ( -3.535 7.979 -10.050) 13.311 3.577 ( 11.730 4.014 -5.349) 13.503 3.745 ( -7.046 -10.676 4.794) 13.660 3.953 ( 9.216 -1.435 11.460) 14.776 4.174 ( -4.167 -4.672 13.402) 14.792 4.415 ( -7.593 7.326 3.904) 11.250 5.023 ( -4.338 -1.996 3.316) 5.813 5.366 ( -7.982 3.472 -9.842) 13.138 5.424 ( 2.330 -3.275 2.855) 4.930 5.486 ( 4.980 -4.954 -3.575) 7.882 6.365 ( -7.194 4.128 7.635) 11.273 7.025 ( 7.053 2.479 -2.944) 8.035 7.159 ( 0.700 -8.542 2.823) 9.024 7.525 ( 3.633 -1.947 0.139) 4.124 10.430 ( -1.460 -6.324 3.828) 7.535 10.768 ( 2.721 -1.179 0.371) 2.989 10.923 ( 5.157 -0.816 3.231) 6.140 11.100 ( -2.131 1.114 -6.221) 6.670 12.203 ( 2.487 -8.856 -2.677) 9.580 12.455 ( 4.787 -2.225 -7.049) 8.807 13.181 ( -5.901 10.983 24.390) 27.392 13.914 ( 3.215 9.109 -3.327) 10.217 14.682 ( -5.783 -2.727 4.438) 7.783 14.963 ( 4.761 -5.390 -0.979) 7.258 15.760 ( 8.372 -1.192 4.073) 9.386 16.034 ( 8.105 -5.315 -7.873) 12.486 17.570 ( -20.504 10.441 -1.837) 23.083 18.351 ( 7.704 1.780 -3.329) 8.580 18.996 ( 1.064 -4.067 5.637) 7.032 19.206 ( 0.753 -6.494 -3.139) 7.252 ======================= Grid point 364 (186/251) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -9.468 0.526 0.404) 9.491 1.663 ( -2.152 -3.386 -1.724) 4.366 1.891 ( 3.490 3.096 -6.175) 7.739 2.212 ( 2.275 -3.533 -2.895) 5.103 2.406 ( -0.964 -1.755 3.011) 3.616 2.667 ( 4.297 7.947 -12.226) 15.202 2.709 ( -5.217 -0.258 -4.115) 6.650 3.545 ( 4.088 3.521 -3.151) 6.248 3.870 ( -6.006 -3.605 3.793) 7.966 4.125 ( 3.716 -6.239 8.744) 11.366 4.244 ( -1.898 2.758 7.989) 8.662 4.274 ( 0.277 -1.520 9.721) 9.843 5.033 ( -3.425 1.305 6.820) 7.743 5.176 ( -8.479 3.255 -8.046) 12.134 5.570 ( 1.269 -8.306 3.828) 9.233 5.632 ( 4.051 -5.566 -1.625) 7.073 6.236 ( -5.845 4.742 8.229) 11.152 6.964 ( 4.053 6.726 -6.741) 10.349 7.294 ( 2.609 -2.966 0.062) 3.951 7.562 ( 0.398 0.299 2.420) 2.471 10.532 ( -2.652 -4.623 4.228) 6.804 10.765 ( 0.496 2.159 0.050) 2.216 10.929 ( -0.949 3.095 0.009) 3.237 11.061 ( 2.543 1.300 0.944) 3.008 12.383 ( 2.275 -7.069 -2.365) 7.793 12.509 ( 3.956 -1.176 -4.884) 6.394 13.065 ( -5.711 2.010 19.109) 20.045 13.787 ( 4.237 6.322 -2.748) 8.091 14.722 ( -5.819 -4.710 4.468) 8.718 15.118 ( 3.289 -7.287 0.587) 8.017 15.710 ( 1.309 7.845 4.851) 9.316 16.346 ( 19.830 -12.738 -5.076) 24.109 17.192 ( -21.426 9.722 -3.021) 23.722 18.329 ( 4.803 4.129 -4.990) 8.063 19.035 ( -5.088 -1.088 2.947) 5.980 19.360 ( 4.712 -6.046 1.818) 7.878 ======================= Grid point 371 (187/251) ======================= q-point: (-0.40 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -8.900 -0.000 14.297) 16.841 1.651 ( -12.934 -0.000 8.505) 15.480 2.002 ( 0.824 0.000 5.799) 5.857 2.222 ( -5.075 -0.000 0.155) 5.077 2.660 ( -3.499 -0.000 -0.674) 3.563 2.758 ( -1.155 -0.000 14.759) 14.804 2.895 ( -3.334 -0.000 6.134) 6.982 3.242 ( -3.833 -0.000 -1.666) 4.179 3.798 ( 6.127 0.000 -1.576) 6.326 3.932 ( 5.954 0.000 -5.068) 7.819 4.024 ( 8.920 0.000 24.893) 26.443 4.662 ( -4.017 -0.000 2.991) 5.009 5.025 ( 7.054 0.000 1.485) 7.208 5.159 ( -12.651 -0.000 -15.643) 20.118 5.487 ( 0.878 0.000 -6.155) 6.217 5.706 ( -9.656 -0.000 -14.103) 17.092 6.174 ( -9.858 -0.000 7.711) 12.515 6.791 ( 11.496 0.000 -2.146) 11.694 6.914 ( -5.190 -0.000 13.859) 14.799 7.429 ( 5.875 0.000 -1.058) 5.969 10.321 ( 7.447 0.000 0.016) 7.447 10.399 ( 3.218 0.000 -8.346) 8.945 10.717 ( 6.562 0.000 9.090) 11.211 11.126 ( -7.022 -0.000 -12.109) 13.997 12.016 ( -1.623 -0.000 -0.070) 1.624 12.322 ( 4.784 0.000 -9.066) 10.251 13.814 ( 2.259 0.000 17.754) 17.897 14.318 ( 4.285 0.000 -0.456) 4.309 14.709 ( -0.161 -0.000 0.170) 0.234 14.937 ( 6.848 0.000 -9.673) 11.851 15.149 ( -4.836 -0.000 14.393) 15.184 16.092 ( 3.550 0.000 -8.181) 8.918 18.057 ( -10.184 -0.000 -1.276) 10.264 18.193 ( 1.522 0.000 -0.178) 1.533 18.795 ( 5.690 0.000 4.865) 7.486 19.032 ( -1.665 -0.000 -8.947) 9.101 ======================= Grid point 372 (188/251) ======================= q-point: (-0.30 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -11.427 -0.537 10.399) 15.460 1.660 ( -10.087 -7.541 10.592) 16.456 1.937 ( -0.952 8.318 6.382) 10.527 2.162 ( -9.301 -0.339 4.543) 10.357 2.586 ( 1.430 8.133 2.104) 8.521 2.722 ( -0.525 -0.344 1.167) 1.325 3.000 ( -2.371 -4.392 3.931) 6.354 3.274 ( -3.066 -7.624 4.275) 9.263 3.805 ( 2.409 1.656 -1.388) 3.236 3.927 ( 0.094 1.728 -5.161) 5.443 4.155 ( 11.999 3.022 21.185) 24.534 4.587 ( -7.426 2.774 4.246) 8.993 4.992 ( -8.547 0.843 -9.973) 13.161 5.179 ( 4.822 -6.888 -4.736) 9.650 5.453 ( 1.794 2.277 0.855) 3.022 5.564 ( -8.411 2.751 -13.572) 16.202 6.240 ( -6.933 -9.837 5.854) 13.383 6.877 ( 0.850 -1.665 4.559) 4.927 6.964 ( 4.772 -4.059 5.538) 8.361 7.474 ( 5.491 -0.458 -2.454) 6.032 10.302 ( 3.905 1.821 -0.518) 4.340 10.568 ( 7.449 -9.327 -4.085) 12.616 10.821 ( 6.378 -2.531 7.704) 10.317 11.052 ( -5.749 -1.262 -11.454) 12.878 12.023 ( 1.349 -0.984 1.441) 2.205 12.366 ( 6.612 -1.822 -7.878) 10.445 13.746 ( -0.736 12.375 17.656) 21.574 14.271 ( 3.835 7.382 -1.728) 8.496 14.712 ( 0.935 2.348 1.516) 2.947 14.877 ( 4.615 3.297 0.013) 5.672 15.359 ( 6.650 -13.463 6.648) 16.421 16.089 ( 4.161 1.659 -7.667) 8.880 17.904 ( -14.430 5.849 -1.187) 15.615 18.255 ( 2.042 -4.927 -0.827) 5.398 18.868 ( 5.443 -1.713 4.995) 7.584 19.022 ( -0.862 -2.491 -7.764) 8.199 ======================= Grid point 373 (189/251) ======================= q-point: (-0.20 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -11.421 -3.746 7.101) 13.961 1.702 ( -12.640 1.418 7.727) 14.883 1.828 ( 2.154 -0.360 5.878) 6.270 2.136 ( -8.200 -3.033 5.687) 10.430 2.446 ( 1.596 7.250 -0.773) 7.464 2.734 ( 3.115 0.316 -3.616) 4.783 2.977 ( -1.708 4.433 -4.853) 6.791 3.479 ( -5.549 -12.939 8.764) 16.584 3.761 ( 10.480 6.394 -8.757) 15.080 3.895 ( -9.934 -4.365 3.984) 11.559 4.232 ( 8.533 2.644 19.043) 21.034 4.481 ( -7.788 4.119 6.112) 10.723 4.912 ( -6.710 -2.331 -6.537) 9.654 5.309 ( -2.337 -2.234 -7.287) 7.972 5.413 ( -3.418 -1.284 -8.680) 9.417 5.482 ( 7.710 1.019 5.889) 9.755 6.353 ( -5.194 -3.038 5.451) 8.119 6.976 ( -2.152 -9.012 4.469) 10.286 7.090 ( 7.817 -1.525 -1.619) 8.127 7.523 ( 3.999 -1.299 -2.133) 4.715 10.339 ( 0.997 -2.964 2.169) 3.806 10.766 ( 7.279 -4.091 -0.123) 8.351 10.934 ( 3.083 -2.671 2.823) 4.961 11.024 ( -3.182 -3.073 -8.937) 9.971 12.100 ( 4.874 -4.469 1.186) 6.719 12.440 ( 6.898 -2.062 -6.646) 9.798 13.479 ( -5.816 16.704 21.025) 27.475 14.127 ( 5.023 9.989 -2.576) 11.474 14.655 ( -1.164 2.515 4.693) 5.450 14.929 ( 4.943 -2.629 1.913) 5.916 15.733 ( 16.937 -12.743 3.667) 21.511 16.051 ( 4.591 3.001 -7.014) 8.904 17.602 ( -19.458 10.306 -1.538) 22.073 18.353 ( -0.034 -3.659 -3.864) 5.321 18.969 ( 3.392 -2.341 4.402) 6.030 19.086 ( 2.668 -6.167 -3.315) 7.493 ======================= Grid point 374 (190/251) ======================= q-point: (-0.10 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -8.534 -3.941 3.391) 9.992 1.597 ( -7.652 -0.019 4.321) 8.788 1.897 ( 2.494 -2.407 -2.470) 4.256 2.156 ( -5.406 -2.625 3.245) 6.830 2.350 ( -4.314 1.251 -0.069) 4.492 2.739 ( 5.730 2.250 -6.984) 9.310 2.822 ( 3.348 7.894 -7.073) 11.115 3.602 ( -2.694 -1.397 -4.787) 5.668 3.789 ( 5.494 -3.527 7.603) 10.021 3.945 ( -10.344 -7.142 4.757) 13.440 4.308 ( 0.067 2.764 13.043) 13.333 4.352 ( 0.795 2.182 9.338) 9.622 4.939 ( -5.691 -6.065 -0.783) 8.353 5.159 ( -7.897 5.089 -11.113) 14.552 5.513 ( 2.296 -5.106 4.883) 7.429 5.581 ( 8.223 -2.622 1.270) 8.724 6.300 ( -5.547 4.333 6.196) 9.377 7.078 ( 1.552 2.733 -2.688) 4.136 7.204 ( 4.908 -8.132 -3.686) 10.188 7.564 ( 0.602 -0.856 0.410) 1.124 10.424 ( -1.804 -4.973 3.412) 6.295 10.820 ( 3.836 1.989 -0.191) 4.325 10.957 ( -2.161 0.921 -1.026) 2.563 11.064 ( 0.487 -2.675 -1.769) 3.243 12.273 ( 7.421 -7.215 -1.539) 10.464 12.512 ( 6.159 -1.547 -4.890) 8.014 13.199 ( -8.336 11.503 22.127) 26.295 13.976 ( 5.847 9.413 -2.881) 11.450 14.646 ( -1.184 -0.848 6.053) 6.226 15.038 ( 3.179 -4.493 2.784) 6.168 15.893 ( 5.452 7.309 1.901) 9.315 16.245 ( 22.122 -14.132 -3.866) 26.534 17.215 ( -21.387 11.430 -2.264) 24.355 18.352 ( -4.567 -0.118 -6.785) 8.180 19.014 ( 0.551 -0.088 3.032) 3.083 19.268 ( 5.161 -8.057 1.601) 9.701 ======================= Grid point 382 (191/251) ======================= q-point: (-0.30 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -15.745 -0.000 10.192) 18.756 1.474 ( -6.114 -0.000 14.895) 16.101 2.054 ( -15.841 -0.000 4.750) 16.538 2.071 ( 1.829 0.000 7.142) 7.372 2.673 ( 7.912 0.000 -7.650) 11.005 2.790 ( -8.108 -0.000 21.447) 22.929 2.903 ( -0.057 -0.000 4.563) 4.563 3.177 ( -1.890 -0.000 -3.513) 3.990 3.789 ( -5.633 -0.000 6.226) 8.396 3.960 ( 2.699 0.000 -10.146) 10.499 4.367 ( 15.511 0.000 15.097) 21.646 4.567 ( -8.796 -0.000 0.693) 8.824 4.858 ( -11.637 -0.000 -14.459) 18.561 5.148 ( 5.495 0.000 -2.773) 6.155 5.480 ( -7.631 -0.000 -13.597) 15.592 5.495 ( 1.157 0.000 5.799) 5.913 6.093 ( -5.476 -0.000 7.551) 9.327 6.900 ( -5.305 -0.000 12.466) 13.547 6.966 ( 10.866 0.000 -1.518) 10.972 7.502 ( 4.792 0.000 -4.336) 6.463 10.429 ( 6.019 0.000 -7.339) 9.492 10.446 ( 6.581 0.000 0.449) 6.597 10.870 ( 5.133 0.000 9.234) 10.565 10.974 ( -2.662 -0.000 -9.863) 10.216 12.043 ( 3.559 0.000 3.006) 4.658 12.392 ( 8.651 0.000 -6.363) 10.739 13.890 ( -3.683 -0.000 9.523) 10.210 14.369 ( 3.046 0.000 -3.975) 5.008 14.791 ( 9.181 0.000 2.533) 9.524 15.052 ( 13.128 0.000 -7.313) 15.028 15.220 ( 2.535 0.000 22.302) 22.445 16.128 ( 6.336 0.000 -6.745) 9.254 17.868 ( -12.716 -0.000 0.294) 12.719 18.168 ( -5.018 -0.000 -2.930) 5.811 18.907 ( 4.734 0.000 4.290) 6.389 18.977 ( 1.161 0.000 -6.726) 6.826 ======================= Grid point 383 (192/251) ======================= q-point: (-0.20 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -12.408 0.291 11.493) 16.916 1.563 ( -10.027 -6.106 12.538) 17.176 1.911 ( -8.667 2.886 7.550) 11.852 2.057 ( -4.236 2.231 4.664) 6.684 2.615 ( -2.869 9.140 6.971) 11.848 2.765 ( 6.776 -0.626 -3.230) 7.532 2.991 ( -0.864 -2.094 4.517) 5.053 3.240 ( -2.555 -8.717 2.003) 9.302 3.762 ( -10.263 -0.992 5.580) 11.724 3.903 ( 4.334 3.605 -10.287) 11.730 4.390 ( -2.502 3.717 0.431) 4.501 4.520 ( 1.713 3.739 15.387) 15.927 4.794 ( -6.165 -3.706 -10.973) 13.120 5.212 ( 0.949 -4.175 -5.530) 6.994 5.359 ( -4.927 2.313 -9.686) 11.110 5.562 ( 5.867 -1.240 8.259) 10.207 6.189 ( -3.277 -9.846 5.274) 11.640 6.879 ( -3.583 -0.460 9.124) 9.814 7.096 ( 7.907 -3.669 -0.824) 8.755 7.526 ( 3.469 -0.464 -5.383) 6.420 10.362 ( 3.591 3.150 -0.468) 4.799 10.669 ( 6.120 -10.974 -4.776) 13.442 10.917 ( 1.482 0.672 0.414) 1.679 10.968 ( 1.939 -1.511 0.157) 2.463 12.102 ( 6.187 -1.440 3.614) 7.309 12.458 ( 8.741 -0.900 -5.515) 10.374 13.753 ( -8.327 11.217 10.348) 17.385 14.316 ( 3.046 5.966 -4.857) 8.274 14.827 ( 11.389 8.081 4.470) 14.663 14.968 ( 3.677 4.363 7.197) 9.184 15.611 ( 19.931 -16.787 8.087) 27.285 16.142 ( 7.344 2.842 -5.574) 9.648 17.641 ( -17.414 9.817 -0.462) 19.996 18.197 ( -8.220 -7.649 -4.765) 12.197 18.972 ( 3.877 -1.893 4.334) 6.115 19.012 ( 4.184 -3.162 -4.088) 6.650 ======================= Grid point 384 (193/251) ======================= q-point: (-0.10 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -9.568 -4.058 8.866) 13.661 1.542 ( -12.887 0.104 10.878) 16.865 1.902 ( 3.490 0.073 3.885) 5.223 2.006 ( -10.849 -4.125 2.953) 11.976 2.433 ( -3.429 8.196 4.144) 9.803 2.808 ( 6.955 1.800 -9.387) 11.821 2.973 ( 6.542 4.582 -1.809) 8.189 3.423 ( -5.276 -10.759 5.621) 13.236 3.693 ( -13.834 -3.297 3.042) 14.543 3.915 ( 8.396 -0.179 -1.014) 8.459 4.348 ( -7.741 -2.445 4.237) 9.157 4.437 ( 0.302 7.776 9.848) 12.552 4.807 ( -2.041 -3.129 -4.638) 5.956 5.172 ( -4.603 4.115 -9.427) 11.269 5.387 ( 0.761 -7.654 1.149) 7.777 5.658 ( 8.610 -0.043 6.820) 10.984 6.317 ( -2.297 -1.966 3.299) 4.474 6.969 ( -1.651 -9.208 4.660) 10.451 7.181 ( 5.494 -0.196 -5.883) 8.051 7.546 ( 0.580 -0.973 -3.427) 3.609 10.364 ( 0.363 -1.077 2.306) 2.571 10.877 ( -0.218 -7.401 -8.259) 11.092 10.907 ( 6.607 2.407 -0.006) 7.032 11.004 ( -2.276 -1.439 4.396) 5.155 12.233 ( 9.860 -4.647 1.974) 11.078 12.527 ( 7.185 -0.967 -4.719) 8.650 13.445 ( -11.108 14.919 17.059) 25.238 14.187 ( 3.364 8.504 -4.769) 10.313 14.753 ( 9.011 7.853 9.092) 15.018 15.008 ( 1.848 -2.119 5.426) 6.112 16.085 ( 12.695 4.035 2.395) 13.534 16.152 ( 22.477 -13.088 -3.077) 26.191 17.262 ( -21.024 12.088 -1.508) 24.299 18.222 ( -11.627 -4.487 -7.492) 14.542 19.036 ( 3.050 -0.676 3.295) 4.541 19.159 ( 5.553 -7.666 0.184) 9.468 ======================= Grid point 393 (194/251) ======================= q-point: (-0.20 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -14.845 -0.000 12.715) 19.546 1.468 ( -6.323 -0.000 16.170) 17.362 1.828 ( -12.978 -0.000 3.823) 13.529 2.116 ( -2.062 -0.000 8.040) 8.300 2.729 ( -15.550 -0.000 26.593) 30.806 2.779 ( 10.107 0.000 -11.146) 15.046 2.960 ( 4.135 0.000 6.233) 7.480 3.162 ( 3.641 0.000 -5.479) 6.579 3.713 ( -7.496 -0.000 4.567) 8.778 3.904 ( -1.343 -0.000 -13.493) 13.560 4.335 ( -14.338 -0.000 -5.531) 15.367 4.622 ( -7.258 -0.000 -12.955) 14.849 4.695 ( 10.506 0.000 12.592) 16.399 5.163 ( -0.104 -0.000 -6.599) 6.599 5.350 ( -0.396 -0.000 -3.931) 3.951 5.605 ( 5.115 0.000 13.553) 14.486 6.074 ( -2.143 -0.000 6.777) 7.108 6.890 ( -4.028 -0.000 11.370) 12.062 7.113 ( 8.024 0.000 -2.300) 8.347 7.529 ( 2.537 0.000 -7.759) 8.163 10.492 ( -0.767 -0.000 -1.834) 1.988 10.510 ( 8.062 0.000 -5.425) 9.717 10.963 ( -0.527 -0.000 8.685) 8.701 10.978 ( 8.067 0.000 -3.598) 8.833 12.153 ( 7.112 0.000 4.250) 8.285 12.510 ( 9.039 0.000 -4.782) 10.226 13.797 ( -11.680 -0.000 4.763) 12.613 14.366 ( 0.711 0.000 -7.468) 7.501 14.951 ( 5.145 0.000 5.645) 7.638 15.263 ( 16.395 0.000 -6.083) 17.487 15.572 ( 25.792 0.000 23.977) 35.215 16.234 ( 10.876 0.000 -3.589) 11.453 17.645 ( -15.287 -0.000 1.327) 15.344 17.957 ( -18.213 -0.000 -6.299) 19.271 18.993 ( 2.966 0.000 3.869) 4.875 19.010 ( 6.002 0.000 -3.121) 6.765 ======================= Grid point 394 (195/251) ======================= q-point: (-0.10 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -11.354 -1.692 13.218) 17.507 1.464 ( -11.651 -0.685 15.546) 19.440 1.801 ( -7.122 -4.917 3.304) 9.263 2.041 ( -3.178 6.054 7.112) 9.866 2.573 ( -8.889 7.833 14.379) 18.631 2.856 ( 7.028 -0.818 -7.240) 10.123 3.069 ( 7.378 -2.117 5.253) 9.301 3.230 ( 1.465 -5.502 -2.209) 6.107 3.585 ( -12.058 3.449 0.996) 12.581 3.903 ( 0.226 -3.802 -7.299) 8.233 4.205 ( -13.872 -2.204 -0.629) 14.060 4.622 ( 1.075 0.242 -5.809) 5.912 4.707 ( -0.619 1.596 0.472) 1.776 5.147 ( -3.374 -0.421 -7.757) 8.469 5.354 ( 6.109 0.538 7.153) 9.422 5.725 ( 7.069 -2.080 10.037) 12.452 6.187 ( -0.235 -9.398 3.645) 10.083 6.881 ( -2.709 -0.379 9.794) 10.169 7.185 ( 4.460 -1.699 -4.665) 6.674 7.523 ( 0.620 -0.320 -7.501) 7.533 10.400 ( 0.784 3.398 0.327) 3.503 10.690 ( 2.602 -8.940 -7.336) 11.853 10.970 ( -3.929 -0.290 8.518) 9.385 11.033 ( 9.906 1.981 -0.962) 10.148 12.251 ( 9.179 -2.577 3.550) 10.173 12.566 ( 7.501 -0.012 -4.601) 8.799 13.618 ( -13.782 8.922 9.056) 18.750 14.303 ( 0.140 4.298 -7.606) 8.737 15.001 ( 2.359 -0.399 6.312) 6.750 15.151 ( 15.217 16.345 6.737) 23.326 16.089 ( 31.705 -14.963 6.682) 35.689 16.284 ( 13.549 4.276 -0.266) 14.210 17.329 ( -20.708 13.083 -0.388) 24.497 17.936 ( -18.957 -10.658 -6.542) 22.710 19.040 ( 1.654 -1.736 3.890) 4.570 19.095 ( 6.945 -3.802 -1.595) 8.076 ======================= Grid point 404 (196/251) ======================= q-point: (-0.10 -0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -11.342 -0.000 14.604) 18.491 1.423 ( -10.139 -0.000 16.810) 19.631 1.721 ( -2.718 -0.000 3.178) 4.181 2.085 ( -8.170 -0.000 10.963) 13.672 2.613 ( -15.688 -0.000 24.393) 29.003 2.869 ( 8.231 0.000 -7.657) 11.242 3.088 ( 6.187 0.000 3.338) 7.030 3.232 ( 8.420 0.000 -6.129) 10.414 3.587 ( -9.305 -0.000 -1.822) 9.482 3.781 ( -2.983 -0.000 -13.623) 13.945 4.055 ( -16.706 -0.000 1.065) 16.740 4.486 ( -1.577 -0.000 -10.620) 10.736 4.829 ( 3.096 0.000 -2.504) 3.982 5.097 ( -2.485 -0.000 -7.255) 7.669 5.468 ( 9.801 0.000 15.889) 18.668 5.784 ( 7.031 0.000 12.879) 14.673 6.093 ( 0.212 0.000 5.130) 5.134 6.897 ( -2.689 -0.000 10.164) 10.513 7.182 ( 2.627 0.000 -6.041) 6.588 7.499 ( 0.022 0.000 -9.333) 9.333 10.444 ( -2.793 -0.000 -1.148) 3.020 10.612 ( 7.207 0.000 -4.429) 8.459 10.945 ( -7.525 -0.000 9.474) 12.099 11.147 ( 12.335 0.000 -0.150) 12.336 12.305 ( 8.269 0.000 3.570) 9.007 12.611 ( 6.375 0.000 -5.062) 8.140 13.606 ( -14.732 -0.000 7.187) 16.391 14.319 ( -0.421 -0.000 -9.002) 9.011 15.023 ( -0.701 -0.000 9.434) 9.460 15.475 ( 13.230 0.000 -7.015) 14.974 16.249 ( 40.976 0.000 13.857) 43.256 16.454 ( 16.906 0.000 1.168) 16.947 17.386 ( -17.118 -0.000 0.888) 17.142 17.524 ( -29.989 -0.000 -4.972) 30.398 19.042 ( 0.446 0.000 3.421) 3.450 19.109 ( 6.845 0.000 -1.551) 7.019 ======================= Grid point 405 (197/251) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 0.496 0.000 11.162) 11.173 1.535 ( -3.879 -0.000 -1.150) 4.046 1.914 ( 3.980 0.000 10.917) 11.620 2.096 ( -5.674 -0.000 -3.828) 6.845 2.777 ( -13.757 -0.000 7.867) 15.848 2.880 ( 12.314 0.000 -4.227) 13.020 3.138 ( -10.357 -0.000 1.770) 10.507 3.176 ( 3.858 0.000 -3.520) 5.223 3.455 ( -9.601 -0.000 4.960) 10.806 3.575 ( 14.974 0.000 -6.516) 16.330 3.977 ( -11.114 -0.000 8.471) 13.975 4.214 ( 6.721 0.000 -12.283) 14.001 4.794 ( 5.103 0.000 0.774) 5.161 4.860 ( -5.348 -0.000 -5.518) 7.684 6.122 ( 3.972 0.000 4.930) 6.331 6.173 ( -0.217 -0.000 -0.034) 0.220 6.288 ( 12.449 0.000 23.946) 26.989 6.754 ( -10.188 -0.000 -19.851) 22.313 7.090 ( -3.244 -0.000 8.650) 9.238 7.274 ( 1.766 0.000 -8.540) 8.721 10.463 ( -1.641 -0.000 4.121) 4.436 10.564 ( 1.982 0.000 -5.144) 5.512 11.078 ( -11.218 -0.000 10.535) 15.389 11.267 ( 11.655 0.000 -6.799) 13.493 12.504 ( 5.486 0.000 2.258) 5.932 12.554 ( -1.566 -0.000 -3.037) 3.417 13.719 ( -8.562 -0.000 14.765) 17.068 14.024 ( 3.864 0.000 -13.474) 14.017 15.247 ( -4.074 -0.000 9.000) 9.879 15.427 ( 5.556 0.000 -8.170) 9.880 16.863 ( 16.293 0.000 4.979) 17.037 16.944 ( -28.229 -0.000 -2.447) 28.335 17.019 ( 27.685 0.000 2.850) 27.831 17.085 ( -13.257 -0.000 -3.111) 13.617 19.102 ( -3.607 -0.000 2.771) 4.549 19.156 ( 4.264 0.000 -2.277) 4.834 ======================= Grid point 406 (198/251) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 2.051 -1.440 9.250) 9.583 1.564 ( 3.205 -4.639 -0.750) 5.688 1.873 ( -3.089 8.506 12.289) 15.262 2.058 ( 2.011 0.471 -4.912) 5.328 2.560 ( -11.491 9.655 5.539) 15.999 2.820 ( 9.025 9.670 -5.024) 14.149 3.199 ( -11.002 -10.417 0.113) 15.151 3.326 ( -3.272 -9.722 7.608) 12.771 3.429 ( 2.821 -1.398 -3.287) 4.552 3.695 ( 14.148 -1.346 -4.402) 14.878 4.005 ( -9.538 -8.582 12.305) 17.777 4.325 ( 4.951 -8.268 -10.213) 14.042 4.753 ( -2.950 4.888 -4.788) 7.451 4.817 ( 4.484 1.555 1.307) 4.923 6.132 ( 3.166 2.715 4.181) 5.905 6.171 ( 1.133 0.669 -2.048) 2.434 6.457 ( 11.130 -0.038 19.294) 22.274 6.591 ( -11.115 1.583 -20.911) 23.734 7.105 ( -4.807 -2.319 9.058) 10.514 7.282 ( 1.043 -2.149 -6.906) 7.307 10.462 ( -2.492 -0.796 4.750) 5.422 10.562 ( -0.436 -0.720 -5.580) 5.643 10.993 ( -12.041 1.663 9.480) 15.415 11.301 ( 9.273 3.326 -6.812) 11.978 12.537 ( -2.614 -0.971 -3.847) 4.751 12.576 ( 4.403 -2.564 -0.182) 5.098 13.663 ( -7.950 3.599 17.225) 19.310 13.996 ( 4.656 2.853 -12.003) 13.187 15.215 ( -5.869 1.551 7.290) 9.486 15.403 ( 2.775 3.325 -6.864) 8.116 16.499 ( -25.458 12.263 1.070) 28.278 16.891 ( 9.067 7.373 -0.677) 11.706 17.044 ( -9.753 -3.607 -2.907) 10.797 17.401 ( 25.976 -7.668 1.101) 27.106 19.102 ( -5.073 -2.869 2.919) 6.518 19.208 ( 2.445 -3.024 -2.730) 4.751 ======================= Grid point 407 (199/251) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.278 0.594 3.333) 3.397 1.673 ( 0.488 7.472 9.073) 11.763 1.786 ( 6.691 -6.779 7.153) 11.912 2.016 ( 4.160 5.232 -8.816) 11.063 2.346 ( -8.145 5.140 6.138) 11.421 2.695 ( 7.570 8.898 -6.736) 13.485 3.266 ( -12.030 -0.909 -4.513) 12.881 3.348 ( -8.661 -7.750 1.682) 11.744 3.623 ( 5.487 -6.904 5.996) 10.664 3.841 ( 13.890 -3.859 -0.802) 14.438 4.178 ( -6.601 -10.130 14.870) 19.165 4.488 ( 0.339 -8.591 -4.538) 9.722 4.592 ( -1.710 6.917 -8.105) 10.792 4.907 ( 8.760 -4.893 2.349) 10.305 6.035 ( -4.327 5.745 -5.216) 8.884 6.200 ( 7.785 1.613 2.860) 8.449 6.415 ( -10.080 1.239 -18.480) 21.087 6.560 ( 8.571 2.793 14.535) 17.103 7.126 ( -8.319 -3.135 5.170) 10.284 7.354 ( 2.956 -4.744 -0.739) 5.638 10.495 ( -1.723 -3.116 6.146) 7.102 10.561 ( -1.193 -1.953 -5.782) 6.219 10.886 ( -11.101 1.830 8.025) 13.820 11.263 ( 6.771 5.246 -5.250) 10.047 12.520 ( -3.525 -0.820 -3.998) 5.393 12.644 ( 1.652 -1.870 -4.132) 4.827 13.556 ( -7.840 5.801 19.224) 21.556 13.921 ( 4.862 5.935 -9.862) 12.495 15.131 ( -8.033 2.651 2.103) 8.716 15.337 ( 0.539 2.676 -2.422) 3.649 16.124 ( -18.446 8.519 1.657) 20.386 16.787 ( 3.901 7.709 -2.883) 9.108 17.013 ( -5.994 -1.012 -4.979) 7.858 17.707 ( 21.375 -4.032 1.773) 21.824 19.130 ( -6.769 -3.567 3.108) 8.259 19.291 ( 1.746 -4.675 -2.704) 5.675 ======================= Grid point 408 (200/251) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 1.800 4.932 4.657) 7.018 1.593 ( -1.951 0.075 5.716) 6.041 1.890 ( 3.550 6.745 -8.762) 11.614 2.052 ( 11.937 -7.964 3.130) 14.687 2.264 ( -4.021 0.345 5.348) 6.700 2.557 ( 5.018 8.426 -9.691) 13.787 3.077 ( -14.557 5.636 -4.065) 16.131 3.478 ( -3.936 -8.466 0.632) 9.358 3.724 ( -0.319 -0.806 6.837) 6.892 4.067 ( 9.744 -7.407 4.271) 12.964 4.286 ( -4.651 -2.607 5.192) 7.442 4.473 ( 7.010 4.275 -3.118) 8.783 4.695 ( -0.887 -13.768 3.423) 14.215 5.063 ( 3.237 -3.052 -1.591) 4.725 5.863 ( -6.600 4.718 -5.148) 9.609 6.158 ( 0.273 7.132 -6.072) 9.371 6.352 ( 0.868 -3.605 -8.007) 8.824 6.572 ( 5.381 5.640 11.946) 14.264 7.143 ( -7.307 -4.694 3.357) 9.311 7.479 ( 2.814 -4.832 2.594) 6.164 10.571 ( -0.927 -3.428 3.559) 5.028 10.610 ( 0.654 -5.150 -1.655) 5.449 10.804 ( -8.373 0.303 6.780) 10.778 11.195 ( 4.812 5.328 -2.958) 7.765 12.486 ( -3.656 0.088 -4.183) 5.556 12.634 ( -2.139 1.270 -5.252) 5.811 13.444 ( -6.572 4.545 17.109) 18.883 13.799 ( 4.208 7.756 -6.885) 11.192 15.009 ( -8.994 2.352 -2.325) 9.583 15.311 ( 0.329 0.253 -0.822) 0.920 15.875 ( -11.397 5.880 3.871) 13.396 16.672 ( -0.340 4.511 -2.916) 5.382 16.962 ( -1.161 1.638 -5.627) 5.974 17.928 ( 16.087 -3.064 1.423) 16.438 19.129 ( -8.417 -1.904 2.184) 8.902 19.393 ( 2.143 -4.608 -1.389) 5.269 ======================= Grid point 409 (201/251) ======================= q-point: ( 0.40 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.536 1.447 2.417) 2.867 1.629 ( 0.736 -2.263 0.606) 2.456 1.769 ( 1.188 5.267 -5.916) 8.010 2.223 ( 4.410 -0.617 -1.981) 4.874 2.314 ( 4.543 -1.618 1.314) 4.998 2.441 ( 5.791 1.512 -6.023) 8.491 2.835 ( -14.201 5.891 -1.250) 15.425 3.576 ( -0.529 -2.795 2.211) 3.602 3.737 ( -3.417 -1.547 3.471) 5.110 4.246 ( 0.369 -4.446 0.897) 4.550 4.291 ( -0.866 -2.196 1.715) 2.918 4.529 ( 14.064 0.942 5.601) 15.168 4.967 ( -0.279 -8.809 7.734) 11.726 5.035 ( -4.959 -0.759 -6.864) 8.502 5.743 ( -5.240 2.001 -1.863) 5.911 5.963 ( -2.421 9.487 -6.588) 11.801 6.440 ( 3.421 -2.386 -1.383) 4.394 6.526 ( 2.554 2.835 5.102) 6.371 7.207 ( -3.073 -5.046 2.288) 6.335 7.583 ( 1.566 -3.099 3.060) 4.628 10.636 ( -1.203 -3.378 1.793) 4.009 10.711 ( 1.547 -3.131 0.105) 3.494 10.788 ( -3.930 -2.241 5.429) 7.067 11.133 ( 2.938 3.538 -0.800) 4.668 12.444 ( -2.161 0.147 -4.258) 4.777 12.549 ( -3.449 3.293 -2.740) 5.500 13.382 ( -4.545 1.802 12.603) 13.518 13.679 ( 3.594 5.529 -4.935) 8.237 14.896 ( -7.162 1.755 -2.497) 7.786 15.308 ( 0.963 0.680 -1.977) 2.302 15.737 ( -6.093 2.491 6.388) 9.173 16.602 ( -1.358 1.227 -2.465) 3.070 16.905 ( 1.261 2.740 -4.433) 5.362 18.097 ( 9.903 -3.031 0.155) 10.357 19.087 ( -7.576 -0.440 1.337) 7.706 19.479 ( 2.099 -2.420 -0.063) 3.204 ======================= Grid point 410 (202/251) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -1.253 -2.068 -0.818) 2.553 1.675 ( 2.272 0.122 -2.714) 3.541 1.689 ( 0.206 0.586 -2.809) 2.877 2.199 ( 0.637 2.736 -3.644) 4.601 2.312 ( -0.102 -1.351 -4.503) 4.703 2.571 ( 3.648 0.050 1.569) 3.971 2.654 ( -1.644 0.163 -0.338) 1.686 3.593 ( 1.427 1.687 3.323) 3.990 3.766 ( -4.589 -4.599 -0.511) 6.517 4.245 ( -2.843 1.436 -0.782) 3.280 4.361 ( 0.364 -1.376 3.492) 3.771 4.651 ( 11.469 0.190 8.894) 14.515 4.859 ( -10.418 1.992 -5.892) 12.133 5.188 ( -0.079 -3.108 4.424) 5.407 5.691 ( 0.360 0.779 -0.955) 1.284 5.771 ( -1.014 5.533 -0.577) 5.654 6.401 ( -2.088 4.853 9.158) 10.573 6.617 ( 2.344 -7.529 -9.283) 12.180 7.271 ( 0.537 -1.883 -0.737) 2.092 7.632 ( -0.210 -0.529 2.252) 2.323 10.659 ( -2.644 0.801 3.359) 4.349 10.758 ( 2.279 -1.056 -1.070) 2.730 10.829 ( -1.349 -2.416 1.412) 3.107 11.109 ( 0.554 0.626 0.290) 0.885 12.418 ( -0.258 1.421 -2.545) 2.926 12.483 ( 0.967 0.534 -1.115) 1.570 13.362 ( -4.207 0.012 11.164) 11.931 13.646 ( 3.769 -0.809 -5.834) 6.992 14.818 ( -2.597 1.676 0.895) 3.218 15.283 ( 1.240 2.385 0.041) 2.689 15.720 ( -1.243 -2.033 4.411) 5.014 16.584 ( 1.342 0.124 -2.532) 2.868 16.859 ( 0.253 1.553 -1.814) 2.402 18.185 ( 0.547 -1.440 -2.041) 2.557 19.054 ( -2.404 -0.467 1.518) 2.881 19.509 ( 1.439 0.949 0.657) 1.845 ======================= Grid point 411 (203/251) ======================= q-point: (-0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -2.312 -2.226 -0.932) 3.342 1.657 ( -1.130 -0.469 3.624) 3.825 1.724 ( 2.374 -1.765 -7.359) 7.931 2.182 ( -3.742 -1.689 2.183) 4.650 2.309 ( -6.152 -1.219 -1.711) 6.500 2.457 ( -0.598 3.399 -5.308) 6.332 2.820 ( 14.655 -4.458 0.880) 15.344 3.564 ( 1.430 3.270 1.222) 3.773 3.830 ( -4.457 -5.849 -2.837) 7.882 4.154 ( -3.003 5.313 5.757) 8.390 4.348 ( -1.432 2.573 0.181) 2.951 4.641 ( -7.950 2.211 -2.444) 8.606 4.868 ( 3.005 -3.788 5.997) 7.704 5.076 ( -2.220 10.893 -1.916) 11.280 5.702 ( 5.741 1.537 1.361) 6.097 5.790 ( 3.159 -3.267 8.685) 9.802 6.326 ( -5.337 1.435 5.687) 7.930 6.749 ( -0.231 -8.098 -11.296) 13.901 7.270 ( 3.209 3.116 -3.391) 5.613 7.609 ( -2.522 2.112 0.611) 3.346 10.589 ( -2.528 4.630 3.825) 6.516 10.782 ( 2.521 0.144 -3.607) 4.403 10.860 ( 0.021 -1.412 -1.229) 1.872 11.105 ( -2.533 -0.703 1.248) 2.910 12.392 ( 4.261 1.792 0.379) 4.638 12.518 ( 4.211 -0.973 -0.379) 4.339 13.393 ( -4.861 -4.216 11.531) 13.205 13.726 ( 3.435 -5.838 -8.372) 10.769 14.810 ( 3.865 0.221 5.223) 6.501 15.246 ( 0.845 2.685 3.728) 4.671 15.805 ( 3.685 -4.916 0.016) 6.144 16.597 ( 7.066 1.550 -1.969) 7.497 16.846 ( -3.580 -1.869 0.834) 4.123 18.143 ( -9.354 0.762 -4.210) 10.286 19.080 ( 3.787 -0.879 1.966) 4.356 19.468 ( 0.595 4.402 0.934) 4.539 ======================= Grid point 412 (204/251) ======================= q-point: (-0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -2.718 -0.289 3.169) 4.185 1.689 ( -5.046 -2.697 9.563) 11.144 1.770 ( 2.776 -4.513 -8.593) 10.095 2.079 ( -12.068 5.275 0.234) 13.172 2.364 ( -3.550 -8.268 6.776) 11.264 2.454 ( 4.813 -2.538 -11.602) 12.815 3.027 ( 16.617 -3.125 1.600) 16.983 3.491 ( 1.323 5.512 -1.762) 5.936 3.830 ( -10.964 0.464 -0.732) 10.998 4.086 ( 2.361 5.293 5.710) 8.136 4.265 ( -7.767 -1.599 -1.035) 7.997 4.546 ( -1.538 2.693 -2.844) 4.208 4.738 ( -3.958 12.651 -3.297) 13.660 5.031 ( -0.382 -2.273 1.993) 3.047 5.703 ( 7.011 4.118 8.123) 11.493 5.925 ( 5.537 -3.269 11.867) 13.498 6.301 ( -4.920 -1.818 0.620) 5.282 6.848 ( -2.851 -6.911 -12.915) 14.922 7.195 ( 4.859 6.660 -1.753) 8.428 7.525 ( -3.964 3.459 -1.580) 5.494 10.496 ( -1.247 4.061 4.375) 6.098 10.743 ( -0.176 3.386 -7.683) 8.398 10.906 ( 6.569 -1.857 -2.430) 7.246 11.107 ( -5.326 -2.031 4.659) 7.361 12.419 ( 7.843 1.404 1.912) 8.193 12.560 ( 4.018 0.402 1.204) 4.213 13.509 ( -5.841 -8.400 11.913) 15.704 13.848 ( 2.054 -6.955 -11.625) 13.701 14.913 ( 10.015 -3.451 6.579) 12.470 15.223 ( -0.179 1.384 6.571) 6.718 15.958 ( 9.211 -6.048 -3.185) 11.470 16.632 ( 11.760 2.401 0.782) 12.028 16.877 ( -6.465 -5.022 1.987) 8.424 17.999 ( -15.561 1.987 -5.231) 16.536 19.137 ( 5.943 0.200 1.605) 6.159 19.364 ( 0.158 6.748 1.132) 6.844 ======================= Grid point 413 (205/251) ======================= q-point: (-0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -2.392 1.412 7.122) 7.645 1.707 ( -7.728 -1.151 10.090) 12.761 1.844 ( -10.947 0.332 1.253) 11.023 1.947 ( 4.151 -4.829 -5.331) 8.305 2.525 ( 0.032 -6.802 0.329) 6.810 2.562 ( -0.158 -10.591 -5.359) 11.870 3.195 ( 15.982 1.170 2.206) 16.176 3.383 ( 2.955 5.895 -2.411) 7.021 3.677 ( -12.625 5.000 6.200) 14.927 3.874 ( -9.716 10.498 -5.660) 15.384 4.315 ( -8.798 1.829 5.713) 10.648 4.452 ( 10.973 6.255 -3.589) 13.131 4.558 ( -0.871 0.374 -8.009) 8.065 4.979 ( -8.123 1.951 -3.757) 9.160 5.781 ( 9.578 -1.972 16.100) 18.837 6.055 ( 6.070 -1.507 13.348) 14.740 6.285 ( -2.346 0.751 -2.485) 3.499 6.888 ( -5.349 -4.781 -14.742) 16.395 7.118 ( 3.643 4.800 4.379) 7.448 7.414 ( -2.738 4.017 -5.020) 6.989 10.451 ( 0.152 1.441 4.458) 4.687 10.642 ( 1.104 4.363 -7.605) 8.837 11.018 ( 10.306 -3.153 -3.825) 11.436 11.118 ( -7.173 -2.399 7.771) 10.844 12.456 ( 8.257 2.535 2.264) 8.929 12.578 ( 2.175 0.646 1.393) 2.663 13.648 ( -8.156 -7.547 12.755) 16.916 13.947 ( 1.985 -5.400 -14.194) 15.316 15.116 ( 11.148 -5.671 3.219) 12.915 15.236 ( -0.545 -1.479 7.234) 7.403 16.177 ( 16.409 -7.425 -3.184) 18.290 16.711 ( 12.351 0.169 4.215) 13.052 16.935 ( -6.296 -5.655 1.914) 8.676 17.782 ( -20.029 4.502 -5.117) 21.157 19.164 ( 4.759 1.986 0.938) 5.242 19.238 ( 0.659 6.616 1.221) 6.760 ======================= Grid point 414 (206/251) ======================= q-point: (-0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -2.827 2.363 10.128) 10.778 1.617 ( -7.926 3.013 0.360) 8.487 1.831 ( -0.465 -2.548 10.283) 10.604 2.087 ( -1.604 -5.946 -3.187) 6.934 2.669 ( 2.462 -8.043 -1.024) 8.473 2.760 ( -4.728 -11.524 -2.356) 12.677 3.193 ( 9.598 8.110 -1.096) 12.613 3.333 ( -1.186 5.352 4.992) 7.414 3.512 ( -2.501 3.614 0.637) 4.441 3.604 ( -8.603 6.207 -4.306) 11.450 4.119 ( -10.743 7.020 7.720) 14.976 4.309 ( 5.272 9.953 -14.745) 18.555 4.685 ( 5.845 -6.139 0.562) 8.496 4.902 ( -6.526 -1.493 -5.401) 8.602 5.978 ( 8.227 -5.162 14.494) 17.448 6.159 ( 6.366 -0.038 15.988) 17.209 6.222 ( 0.901 4.106 -0.258) 4.211 6.858 ( -7.952 -2.411 -17.323) 19.213 7.095 ( -0.545 1.314 8.439) 8.558 7.314 ( 0.679 3.041 -8.283) 8.850 10.456 ( -0.172 -0.174 4.115) 4.123 10.575 ( 2.918 2.218 -5.715) 6.789 11.114 ( -9.023 -1.828 9.937) 13.547 11.159 ( 11.878 -2.481 -5.408) 13.285 12.473 ( 6.762 2.393 2.582) 7.623 12.575 ( 0.050 0.726 -0.843) 1.114 13.719 ( -9.465 -3.630 13.503) 16.885 14.007 ( 3.095 -2.951 -14.545) 15.161 15.231 ( -1.229 -1.360 8.535) 8.729 15.348 ( 7.560 -4.462 -4.435) 9.835 16.508 ( 23.908 -10.326 0.122) 26.043 16.840 ( 10.396 -2.146 4.558) 11.552 16.991 ( -5.851 -4.564 1.345) 7.542 17.456 ( -23.849 9.791 -3.723) 26.048 19.141 ( -1.815 2.503 3.473) 4.650 19.157 ( 5.440 3.501 -2.143) 6.815 ======================= Grid point 416 (207/251) ======================= q-point: ( 0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 2.709 0.000 -1.621) 3.157 1.537 ( 9.266 0.000 10.603) 14.081 1.987 ( -3.466 -0.000 -5.583) 6.571 2.051 ( 4.789 0.000 11.038) 12.032 2.607 ( -11.997 -0.000 6.901) 13.840 2.927 ( -7.695 -0.000 0.548) 7.715 3.119 ( 10.414 0.000 0.042) 10.414 3.150 ( -7.578 -0.000 9.110) 11.850 3.435 ( 6.115 0.000 -8.283) 10.295 3.781 ( 11.855 0.000 -2.580) 12.133 3.874 ( -8.525 -0.000 13.685) 16.123 4.266 ( 6.272 0.000 -7.660) 9.900 4.770 ( 0.715 0.000 -8.785) 8.814 4.869 ( 1.864 0.000 4.661) 5.020 6.161 ( 0.109 0.000 -3.628) 3.630 6.203 ( 3.686 0.000 0.143) 3.689 6.449 ( -11.843 -0.000 -22.113) 25.085 6.610 ( 10.853 0.000 21.268) 23.877 7.067 ( -5.926 -0.000 8.987) 10.765 7.243 ( 0.018 0.000 -6.866) 6.866 10.433 ( -4.954 -0.000 3.681) 6.172 10.534 ( -1.639 -0.000 -4.720) 4.996 10.933 ( -13.051 -0.000 9.009) 15.859 11.382 ( 7.463 0.000 -8.340) 11.192 12.492 ( -2.621 -0.000 -5.738) 6.308 12.574 ( 1.838 0.000 -0.541) 1.916 13.693 ( -5.997 -0.000 18.289) 19.247 14.031 ( 5.132 0.000 -10.479) 11.668 15.201 ( -7.046 -0.000 6.992) 9.926 15.420 ( -0.728 -0.000 -9.112) 9.141 16.453 ( -29.084 -0.000 0.941) 29.100 16.616 ( -23.481 -0.000 -3.681) 23.768 17.374 ( 25.537 0.000 2.682) 25.678 17.455 ( 23.681 0.000 -2.393) 23.801 19.030 ( -6.816 -0.000 2.086) 7.128 19.184 ( 1.109 0.000 -2.942) 3.144 ======================= Grid point 417 (208/251) ======================= q-point: ( 0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 4.478 1.286 0.277) 4.668 1.720 ( 8.861 -6.793 7.551) 13.479 1.885 ( 2.578 7.346 3.279) 8.448 2.102 ( 3.969 2.025 0.200) 4.460 2.422 ( -9.052 8.046 6.605) 13.795 2.942 ( 6.254 10.857 1.915) 12.674 3.013 ( -9.863 -10.672 -0.180) 14.533 3.243 ( -6.097 0.320 -0.502) 6.126 3.558 ( 9.341 -7.903 0.302) 12.240 3.856 ( 2.812 -2.309 1.500) 3.935 3.969 ( -3.250 -9.058 15.731) 18.441 4.354 ( 5.100 -5.141 -5.153) 8.888 4.714 ( 5.686 5.423 -10.399) 13.034 4.910 ( 3.069 -1.991 5.255) 6.403 6.083 ( -3.542 5.097 -10.677) 12.350 6.247 ( -0.315 -2.790 -5.254) 5.957 6.303 ( -4.591 1.203 -13.031) 13.868 6.727 ( 8.763 2.282 17.536) 19.736 7.041 ( -8.045 -0.607 6.720) 10.500 7.272 ( 0.577 -4.538 -2.355) 5.145 10.423 ( -5.196 -2.793 3.778) 7.006 10.512 ( -1.884 -0.716 -3.915) 4.403 10.840 ( -12.464 1.002 7.803) 14.739 11.377 ( 5.094 3.118 -8.005) 9.987 12.460 ( -3.060 -0.751 -6.484) 7.209 12.594 ( -1.417 -1.935 -3.383) 4.147 13.660 ( -5.208 4.416 20.031) 21.163 14.021 ( 5.360 2.839 -8.600) 10.524 15.128 ( -8.483 2.803 3.418) 9.565 15.352 ( -4.537 1.752 -6.767) 8.333 16.121 ( -21.167 7.433 1.735) 22.501 16.541 ( -23.379 -8.143 -6.786) 25.669 17.345 ( 22.458 14.099 -0.698) 26.526 17.785 ( 20.139 -6.712 1.014) 21.252 19.011 ( -7.874 -3.306 2.402) 8.871 19.209 ( -0.020 -3.099 -3.580) 4.735 ======================= Grid point 418 (209/251) ======================= q-point: ( 0.30 0.10 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 4.723 0.468 -0.342) 4.758 1.738 ( 2.039 9.155 9.662) 13.466 1.983 ( 5.653 -2.655 2.491) 6.724 2.050 ( 12.172 1.655 -5.891) 13.623 2.276 ( -5.005 3.383 8.858) 10.722 2.760 ( 4.242 10.674 -6.224) 13.064 3.050 ( -9.685 4.047 -8.487) 13.499 3.240 ( -6.049 -10.741 5.446) 13.477 3.740 ( 1.370 -1.951 11.939) 12.175 3.957 ( -1.364 -8.678 -0.818) 8.822 4.172 ( -2.919 -7.775 14.820) 16.989 4.498 ( 7.267 -6.632 -3.551) 10.459 4.640 ( 9.811 4.707 -6.115) 12.482 5.026 ( 3.701 -4.301 3.316) 6.572 5.882 ( -7.682 5.945 -14.917) 17.801 6.162 ( -7.831 0.967 -14.886) 16.848 6.348 ( 7.754 -1.091 1.112) 7.909 6.759 ( 5.602 5.117 13.328) 15.336 7.018 ( -7.268 -2.894 4.457) 9.003 7.390 ( 0.345 -6.460 2.468) 6.924 10.490 ( -2.733 -6.454 3.522) 7.844 10.520 ( -0.460 -2.158 -1.079) 2.456 10.752 ( -10.202 0.230 6.548) 12.125 11.315 ( 3.271 4.560 -5.996) 8.213 12.431 ( -3.552 -0.900 -6.711) 7.647 12.586 ( -5.072 -1.150 -6.045) 7.974 13.559 ( -5.322 6.986 19.952) 21.800 13.955 ( 4.681 6.218 -6.179) 9.937 14.984 ( -9.283 3.798 -2.716) 10.391 15.282 ( -5.618 -0.585 -2.169) 6.051 15.882 ( -12.893 4.151 2.558) 13.784 16.468 ( -20.913 -5.537 -8.812) 23.360 17.261 ( 21.273 12.472 -1.352) 24.696 18.014 ( 14.994 -2.324 2.221) 15.335 19.018 ( -8.907 -3.204 2.940) 9.912 19.286 ( -0.186 -5.992 -3.798) 7.097 ======================= Grid point 419 (210/251) ======================= q-point: ( 0.40 0.10 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 9.469 1.568 -1.844) 9.774 1.610 ( 2.565 7.111 8.930) 11.700 1.879 ( 0.871 6.446 -6.294) 9.052 2.233 ( -2.429 0.590 5.803) 6.319 2.300 ( 15.337 -7.049 1.793) 16.974 2.575 ( 4.250 9.546 -10.461) 14.785 2.824 ( -13.649 5.908 -3.793) 15.349 3.417 ( -4.079 -9.221 1.892) 10.259 3.755 ( -4.372 0.694 12.328) 13.099 4.117 ( -1.511 -8.000 -1.631) 8.303 4.258 ( -1.929 -1.615 7.982) 8.369 4.656 ( 13.209 0.235 -0.890) 13.241 4.768 ( 6.347 -11.945 3.971) 14.097 5.058 ( -1.733 3.434 -1.633) 4.179 5.705 ( -7.672 1.518 -9.105) 12.002 6.025 ( -6.570 3.487 -12.208) 14.295 6.430 ( 8.228 -0.854 -1.620) 8.430 6.699 ( 1.644 7.509 11.453) 13.794 7.081 ( -2.361 -6.254 4.244) 7.918 7.513 ( -0.820 -5.425 3.383) 6.445 10.571 ( 0.463 -3.408 -0.964) 3.572 10.631 ( 0.426 -6.495 5.130) 8.288 10.718 ( -6.378 -2.487 5.868) 9.017 11.232 ( 1.812 4.700 -3.556) 6.166 12.401 ( -2.798 -0.815 -6.677) 7.285 12.527 ( -6.999 0.121 -4.874) 8.530 13.447 ( -4.672 5.244 16.210) 17.666 13.831 ( 3.319 8.110 -4.517) 9.858 14.854 ( -7.009 1.364 -4.230) 8.300 15.267 ( -4.555 -2.540 -2.378) 5.732 15.749 ( -7.315 2.395 4.579) 8.956 16.380 ( -19.221 -5.211 -7.375) 21.236 17.209 ( 22.051 11.105 -2.030) 24.772 18.146 ( 9.160 -0.587 2.162) 9.429 19.004 ( -8.248 -2.168 3.009) 9.044 19.395 ( -0.437 -6.190 -3.065) 6.921 ======================= Grid point 420 (211/251) ======================= q-point: ( 0.50 0.10 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 9.846 7.553 4.794) 13.303 1.656 ( 3.796 -1.419 -2.306) 4.663 1.757 ( 0.812 5.089 -4.413) 6.785 2.229 ( -1.993 -0.070 1.603) 2.559 2.362 ( 4.178 7.613 -9.678) 13.003 2.577 ( 5.336 -2.566 -0.969) 6.000 2.639 ( -2.645 0.038 0.507) 2.693 3.517 ( -6.428 -5.839 -0.711) 8.713 3.744 ( -1.780 1.077 10.049) 10.262 4.205 ( -1.893 -3.282 -0.316) 3.802 4.318 ( -0.121 -3.674 4.584) 5.876 4.724 ( 0.149 1.498 0.010) 1.506 4.906 ( 0.956 6.176 -1.510) 6.429 5.075 ( 6.396 -10.397 5.886) 13.552 5.650 ( -4.203 -2.469 -3.114) 5.785 5.854 ( -5.671 5.667 -7.780) 11.171 6.503 ( 5.736 -0.441 -3.069) 6.520 6.583 ( -0.473 6.675 7.862) 10.324 7.209 ( 1.504 -5.441 2.541) 6.191 7.594 ( -2.193 -3.202 2.521) 4.628 10.629 ( -1.437 -2.335 3.215) 4.225 10.728 ( 1.206 -3.090 -1.782) 3.765 10.786 ( -0.681 -3.662 6.836) 7.785 11.151 ( -0.032 3.560 -1.634) 3.917 12.389 ( -1.257 -1.641 -5.088) 5.492 12.469 ( -4.214 -0.685 -2.095) 4.755 13.383 ( -3.883 2.199 12.121) 12.916 13.701 ( 2.252 5.533 -5.299) 7.986 14.802 ( -2.564 -0.848 -0.969) 2.870 15.277 ( -2.907 -2.165 -3.506) 5.042 15.699 ( -2.994 -0.106 6.163) 6.853 16.326 ( -18.564 -7.248 -5.069) 20.563 17.177 ( 23.495 11.090 -2.215) 26.075 18.184 ( 0.009 1.350 0.564) 1.463 19.008 ( -3.114 -2.705 3.605) 5.478 19.479 ( -1.255 -3.790 -2.360) 4.638 ======================= Grid point 421 (212/251) ======================= q-point: (-0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 8.971 4.966 1.613) 10.380 1.677 ( 0.217 1.973 -1.520) 2.500 1.709 ( 4.415 -0.882 -4.430) 6.316 2.172 ( -3.336 3.058 -1.554) 4.785 2.275 ( -1.428 1.589 -1.512) 2.617 2.480 ( -4.584 2.308 -4.260) 6.670 2.846 ( 16.027 -5.877 -0.093) 17.071 3.551 ( -7.832 -4.373 -1.088) 9.036 3.740 ( -0.334 0.837 6.687) 6.748 4.216 ( -1.541 1.335 4.074) 4.556 4.382 ( 0.519 -0.426 1.100) 1.289 4.558 ( -14.188 3.247 -7.676) 16.455 4.917 ( 7.929 0.771 8.175) 11.415 5.220 ( 1.572 2.672 1.771) 3.570 5.708 ( 2.234 -4.396 -0.903) 5.013 5.751 ( -1.368 -1.859 1.028) 2.526 6.412 ( -2.996 7.876 8.984) 12.317 6.599 ( 2.215 -4.045 -9.432) 10.499 7.303 ( 3.682 -1.651 -0.550) 4.072 7.605 ( -4.126 0.005 0.974) 4.239 10.643 ( -1.822 1.049 4.218) 4.713 10.772 ( 0.415 -1.279 -2.811) 3.116 10.842 ( 1.623 -1.031 3.137) 3.680 11.089 ( -2.663 1.511 -0.774) 3.159 12.412 ( 0.831 -1.871 -0.891) 2.233 12.493 ( 1.287 -3.378 -2.167) 4.215 13.358 ( -4.132 0.363 11.530) 12.253 13.654 ( 1.884 -0.997 -7.987) 8.267 14.837 ( 2.987 -1.975 4.319) 5.610 15.275 ( -1.589 -0.325 -2.005) 2.579 15.744 ( 1.039 -3.884 4.895) 6.334 16.326 ( -17.937 -9.512 -4.019) 20.697 17.156 ( 24.631 10.971 -1.345) 26.998 18.093 ( -10.073 3.335 -1.629) 10.734 19.079 ( 3.181 -3.134 4.194) 6.126 19.499 ( -2.277 -0.331 -1.888) 2.976 ======================= Grid point 422 (213/251) ======================= q-point: (-0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 5.279 2.905 0.366) 6.037 1.661 ( -0.240 -0.019 2.204) 2.217 1.743 ( 4.839 0.109 -5.473) 7.307 2.058 ( -11.272 2.949 0.955) 11.690 2.261 ( -1.391 -2.094 4.063) 4.778 2.435 ( 2.309 -0.424 -8.993) 9.295 3.090 ( 17.761 -5.205 -0.795) 18.525 3.548 ( -6.047 -1.317 -0.657) 6.224 3.733 ( -3.547 0.435 3.273) 4.846 4.181 ( 0.082 2.123 9.743) 9.972 4.255 ( -9.640 7.236 -5.631) 13.304 4.482 ( -3.996 -3.311 -5.693) 7.703 4.962 ( 0.567 5.321 8.468) 10.017 5.069 ( 2.661 8.006 -2.318) 8.749 5.810 ( 5.884 -1.209 2.643) 6.563 5.878 ( 1.617 -7.348 7.212) 10.422 6.286 ( -3.229 3.700 6.390) 8.059 6.663 ( -1.758 -5.466 -12.889) 14.111 7.326 ( 5.606 2.738 -2.526) 6.731 7.534 ( -6.652 2.587 0.149) 7.139 10.584 ( -0.963 4.466 4.707) 6.560 10.763 ( -1.101 1.050 -4.701) 4.941 10.899 ( 3.978 -2.347 0.577) 4.655 11.044 ( -5.297 -0.372 0.850) 5.378 12.473 ( 4.722 -1.881 0.715) 5.133 12.568 ( 2.428 -2.524 -1.548) 3.829 13.385 ( -4.741 -3.643 13.408) 14.680 13.709 ( 1.434 -5.448 -10.811) 12.191 14.947 ( 7.774 -3.154 7.265) 11.098 15.253 ( -1.742 0.983 1.248) 2.358 15.889 ( 5.701 -7.252 2.340) 9.516 16.368 ( -17.033 -10.679 -3.937) 20.486 17.157 ( 25.319 9.845 0.475) 27.170 17.906 ( -16.564 3.650 -3.432) 17.305 19.178 ( 5.507 -1.651 3.893) 6.943 19.447 ( -2.858 2.899 -1.442) 4.318 ======================= Grid point 423 (214/251) ======================= q-point: (-0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.212 1.259 6.371) 6.498 1.673 ( -0.539 -0.699 -0.179) 0.901 1.745 ( -3.834 0.223 2.934) 4.833 1.936 ( -2.391 0.953 -4.410) 5.106 2.343 ( -4.056 -6.294 6.699) 10.047 2.479 ( 5.697 -3.615 -10.053) 12.108 3.314 ( 16.519 -3.232 -0.429) 16.838 3.501 ( -1.792 2.340 -0.620) 3.012 3.659 ( -7.436 3.955 5.189) 9.893 3.978 ( -10.463 10.079 -8.494) 16.829 4.237 ( -1.465 -3.654 11.059) 11.738 4.514 ( 0.006 -3.005 -7.765) 8.327 4.748 ( 3.326 13.952 5.479) 15.354 4.985 ( -3.514 5.587 -4.062) 7.750 5.873 ( 6.976 0.104 9.839) 12.062 6.041 ( 0.225 -6.076 7.533) 9.681 6.275 ( 2.507 -0.780 2.665) 3.741 6.698 ( -5.568 -5.269 -15.603) 17.384 7.276 ( 4.448 6.419 1.451) 7.943 7.426 ( -5.988 2.335 -2.278) 6.819 10.513 ( -0.125 3.583 5.447) 6.521 10.692 ( -0.987 3.209 -6.980) 7.746 10.994 ( 0.448 -3.798 2.599) 4.624 11.037 ( -1.237 -2.739 0.434) 3.036 12.546 ( 5.759 -0.624 0.627) 5.827 12.603 ( 1.704 0.276 -1.070) 2.031 13.486 ( -6.704 -6.716 15.694) 18.339 13.807 ( 1.997 -6.662 -12.951) 14.700 15.114 ( 9.424 -4.798 4.954) 11.678 15.224 ( -3.321 0.433 4.299) 5.450 16.125 ( 10.833 -9.840 1.392) 14.701 16.428 ( -16.018 -10.672 -3.970) 19.652 17.201 ( 25.685 7.712 2.763) 26.959 17.675 ( -20.408 3.622 -5.011) 21.324 19.234 ( 3.606 1.139 3.449) 5.118 19.347 ( -1.692 4.699 -1.369) 5.178 ======================= Grid point 424 (215/251) ======================= q-point: (-0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -0.929 1.795 10.761) 10.949 1.636 ( -0.962 2.836 -3.942) 4.951 1.740 ( -6.879 -4.190 13.863) 16.033 1.988 ( 5.083 -4.633 -8.095) 10.622 2.452 ( -8.502 -8.387 5.888) 13.315 2.608 ( 8.150 -6.850 -9.094) 14.001 3.417 ( -0.944 3.672 1.531) 4.089 3.456 ( 9.362 4.331 -1.481) 10.421 3.510 ( -8.838 5.846 8.320) 13.473 3.701 ( -0.602 7.814 -9.180) 12.071 4.221 ( -8.378 6.933 11.877) 16.103 4.492 ( 3.230 5.763 -11.819) 13.540 4.665 ( 5.837 -0.353 5.995) 8.375 4.812 ( -4.814 2.624 -7.177) 9.032 6.000 ( 7.101 -3.344 11.433) 13.868 6.142 ( -1.763 -3.687 1.334) 4.299 6.341 ( 8.584 0.372 8.678) 12.212 6.678 ( -8.734 -3.630 -18.287) 20.588 7.182 ( -1.707 5.359 8.371) 10.085 7.343 ( -0.574 2.467 -6.385) 6.869 10.479 ( -0.393 1.600 5.564) 5.802 10.610 ( -0.241 2.379 -6.699) 7.113 11.014 ( -10.120 -2.756 8.462) 13.477 11.160 ( 9.207 -4.698 -4.795) 11.395 12.576 ( 0.721 0.741 -0.459) 1.131 12.590 ( 4.175 2.510 -1.431) 5.077 13.592 ( -8.862 -5.935 16.826) 19.922 13.914 ( 3.751 -5.637 -13.189) 14.826 15.210 ( -4.080 -0.841 6.137) 7.417 15.291 ( 6.017 -5.584 -1.086) 8.281 16.420 ( -6.979 -13.267 4.542) 15.663 16.525 ( 6.284 -10.384 -5.560) 13.350 17.280 ( 19.183 6.506 5.041) 20.874 17.405 ( -16.574 5.641 -6.851) 18.800 19.195 ( -3.142 3.837 3.832) 6.268 19.262 ( 3.228 4.125 -2.471) 5.791 ======================= Grid point 427 (216/251) ======================= q-point: ( 0.20 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 6.275 0.000 -0.308) 6.283 1.734 ( 4.501 0.000 7.296) 8.573 1.986 ( 10.332 0.000 -4.952) 11.457 2.172 ( 3.134 0.000 6.546) 7.257 2.475 ( -7.792 -0.000 4.617) 9.057 2.814 ( -7.287 -0.000 6.815) 9.977 3.095 ( -5.917 -0.000 12.487) 13.818 3.306 ( 11.912 0.000 -2.045) 12.086 3.466 ( 3.264 0.000 -11.160) 11.627 3.864 ( -3.470 -0.000 3.865) 5.194 3.884 ( -1.383 -0.000 19.513) 19.561 4.355 ( 10.035 0.000 -4.693) 11.078 4.815 ( 11.892 0.000 -12.242) 17.067 4.902 ( -1.781 -0.000 7.103) 7.323 6.069 ( -12.688 -0.000 -22.926) 26.203 6.126 ( -1.000 -0.000 -7.497) 7.563 6.305 ( 3.651 0.000 -3.441) 5.017 6.866 ( 7.034 0.000 15.061) 16.623 6.996 ( -9.093 -0.000 11.349) 14.543 7.210 ( 0.363 0.000 -4.672) 4.686 10.347 ( -7.174 -0.000 2.188) 7.500 10.477 ( -2.358 -0.000 -2.518) 3.450 10.769 ( -12.048 -0.000 6.737) 13.804 11.412 ( 2.514 0.000 -9.843) 10.159 12.411 ( -2.668 -0.000 -7.898) 8.336 12.539 ( -4.905 -0.000 -3.554) 6.057 13.732 ( -2.684 -0.000 20.655) 20.828 14.070 ( 5.592 0.000 -7.024) 8.978 15.100 ( -8.935 -0.000 3.586) 9.627 15.288 ( -9.194 -0.000 -9.492) 13.215 16.034 ( -23.874 -0.000 4.476) 24.290 16.253 ( -15.397 -0.000 -9.030) 17.850 17.759 ( 16.159 0.000 -3.967) 16.638 17.774 ( 20.794 0.000 3.422) 21.074 18.912 ( -8.674 -0.000 1.771) 8.853 19.163 ( -1.146 -0.000 -3.922) 4.086 ======================= Grid point 428 (217/251) ======================= q-point: ( 0.30 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 5.690 2.455 0.477) 6.215 1.800 ( 0.476 -2.832 4.258) 5.136 2.079 ( 11.543 1.728 1.522) 11.771 2.157 ( 4.680 3.275 -2.775) 6.350 2.372 ( -0.686 5.056 8.662) 10.053 2.864 ( -6.502 -2.869 1.084) 7.189 3.074 ( 0.667 -0.541 14.754) 14.779 3.146 ( 0.913 11.956 -12.312) 17.186 3.695 ( 5.819 -12.374 0.281) 13.677 3.785 ( -11.557 1.016 8.387) 14.316 4.053 ( 0.465 -8.349 17.930) 19.784 4.470 ( 11.460 -3.464 -3.745) 12.544 4.804 ( 9.196 5.294 -5.979) 12.179 4.978 ( 3.594 -4.332 2.221) 6.051 5.854 ( -11.516 3.984 -22.308) 25.419 6.081 ( -4.543 0.684 -11.152) 12.061 6.362 ( 5.568 -2.945 -1.883) 6.575 6.895 ( -3.128 1.630 6.164) 7.102 6.971 ( -0.684 1.431 13.758) 13.849 7.268 ( -0.298 -5.770 0.290) 5.785 10.345 ( -5.828 -5.120 1.921) 7.992 10.473 ( -1.378 -1.950 -0.402) 2.421 10.691 ( -9.736 0.322 5.673) 11.273 11.373 ( 0.485 2.092 -9.420) 9.662 12.367 ( -3.345 -0.415 -8.228) 8.892 12.491 ( -7.736 -1.393 -5.401) 9.537 13.716 ( -2.259 5.837 20.893) 21.811 14.068 ( 5.107 3.127 -5.126) 7.882 14.983 ( -9.394 4.309 -1.986) 10.524 15.186 ( -10.965 -1.204 -5.429) 12.295 15.838 ( -16.188 2.375 4.989) 17.105 16.185 ( -13.411 -5.276 -10.815) 18.018 17.664 ( 17.283 12.704 -1.265) 21.487 18.067 ( 13.683 -5.523 1.528) 14.834 18.884 ( -8.932 -3.431 2.455) 9.878 19.171 ( -1.657 -3.410 -4.788) 6.107 ======================= Grid point 429 (218/251) ======================= q-point: ( 0.40 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 3.725 1.184 2.192) 4.481 1.848 ( 6.550 2.429 2.453) 7.404 1.977 ( -0.612 6.832 -3.940) 7.911 2.221 ( -0.585 -1.000 4.953) 5.087 2.400 ( 18.354 0.506 5.349) 19.125 2.750 ( -2.157 7.856 -2.271) 8.457 2.873 ( -4.194 11.390 -11.494) 16.716 3.226 ( -1.366 -8.484 9.080) 12.502 3.710 ( -12.067 -1.560 9.666) 15.539 3.944 ( 2.284 -9.597 0.988) 9.915 4.227 ( -1.719 -3.918 15.245) 15.834 4.649 ( 11.684 -6.979 -2.662) 13.867 4.787 ( 8.720 2.762 -0.990) 9.201 5.078 ( 2.249 -1.555 1.540) 3.138 5.635 ( -10.009 2.716 -18.322) 21.053 5.975 ( -6.573 1.846 -12.498) 14.241 6.475 ( 7.820 -2.672 -0.789) 8.301 6.838 ( -4.549 2.900 7.523) 9.257 7.002 ( 2.549 -1.345 8.079) 8.578 7.387 ( -2.485 -6.770 2.912) 7.777 10.450 ( -2.536 -8.208 -0.302) 8.596 10.541 ( 0.209 -5.274 5.597) 7.693 10.643 ( -5.856 -0.694 4.359) 7.333 11.299 ( -0.622 2.994 -7.352) 7.963 12.333 ( -3.398 -1.438 -7.922) 8.739 12.430 ( -8.872 -1.210 -6.219) 10.902 13.604 ( -3.026 8.835 19.500) 21.621 13.995 ( 3.529 6.987 -3.823) 8.711 14.824 ( -6.856 2.999 -5.363) 9.207 15.135 ( -10.226 -3.686 -3.058) 11.292 15.723 ( -9.574 0.514 5.319) 10.964 16.137 ( -12.100 -3.747 -11.291) 16.969 17.585 ( 18.988 10.525 -0.753) 21.723 18.216 ( 7.856 -0.630 2.220) 8.188 18.890 ( -8.361 -3.521 3.805) 9.838 19.242 ( -1.995 -6.765 -5.429) 8.900 ======================= Grid point 430 (219/251) ======================= q-point: ( 0.50 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 1.608 0.365 3.243) 3.638 1.827 ( 12.080 7.077 -4.244) 14.629 1.860 ( 1.720 5.484 0.181) 5.750 2.213 ( -4.573 0.251 7.065) 8.419 2.554 ( 8.850 8.021 -10.344) 15.800 2.592 ( -7.326 5.694 -1.012) 9.334 2.641 ( 11.812 -0.810 -0.586) 11.854 3.349 ( -6.739 -5.635 2.354) 9.094 3.725 ( -5.060 -3.806 10.745) 12.472 4.101 ( -1.390 -6.170 1.408) 6.480 4.281 ( -0.890 -1.169 8.578) 8.703 4.759 ( -1.136 3.475 -5.553) 6.649 4.914 ( 7.850 -8.108 6.165) 12.860 5.083 ( 7.813 2.252 0.583) 8.152 5.526 ( -7.687 -3.153 -8.737) 12.056 5.839 ( -8.101 2.500 -11.531) 14.312 6.561 ( 9.009 0.513 -2.278) 9.307 6.739 ( -3.934 6.474 9.389) 12.064 7.123 ( 3.911 -5.923 5.122) 8.753 7.489 ( -3.930 -5.651 2.261) 7.245 10.569 ( -1.029 -4.788 1.094) 5.018 10.659 ( -1.167 -3.818 -0.784) 4.068 10.699 ( 1.285 -6.824 10.481) 12.573 11.211 ( -1.433 3.516 -4.958) 6.245 12.326 ( -1.211 -2.060 -7.804) 8.162 12.375 ( -7.968 -2.471 -3.481) 9.039 13.474 ( -3.305 6.731 16.309) 17.950 13.846 ( 1.589 8.915 -4.969) 10.329 14.755 ( -2.122 -1.070 -3.061) 3.876 15.138 ( -8.800 -5.581 -3.997) 11.161 15.684 ( -4.342 -0.577 5.797) 7.266 16.078 ( -11.601 -3.512 -8.664) 14.899 17.558 ( 21.376 9.595 -1.171) 23.460 18.229 ( -1.020 2.981 1.619) 3.542 18.924 ( -3.387 -4.418 5.317) 7.698 19.343 ( -3.022 -6.977 -5.229) 9.228 ======================= Grid point 431 (220/251) ======================= q-point: ( 0.60 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 2.421 0.605 1.546) 2.936 1.743 ( 0.308 5.073 -3.066) 5.935 1.806 ( 14.168 7.202 0.703) 15.909 2.179 ( -6.403 1.190 3.340) 7.319 2.372 ( 3.628 8.413 -8.525) 12.514 2.454 ( -6.603 1.607 -3.279) 7.545 2.872 ( 18.397 -5.322 -0.426) 19.156 3.368 ( -11.475 -4.673 -0.470) 12.399 3.787 ( 0.600 -0.634 11.021) 11.056 4.183 ( -2.939 -4.212 2.537) 5.729 4.334 ( -0.370 -2.845 2.744) 3.970 4.563 ( -9.405 8.470 -7.670) 14.799 5.032 ( 5.954 1.863 9.268) 11.173 5.229 ( 8.538 -4.840 1.979) 10.012 5.577 ( -2.576 -8.046 -3.056) 8.984 5.703 ( -7.393 0.815 -7.156) 10.321 6.576 ( -0.554 7.383 5.623) 9.297 6.602 ( 3.488 3.026 -1.984) 5.025 7.278 ( 4.588 -4.544 3.487) 7.339 7.543 ( -4.706 -2.986 0.319) 5.583 10.628 ( -1.298 -2.115 4.422) 5.071 10.731 ( 1.038 -3.029 -3.420) 4.686 10.837 ( 1.826 -3.108 7.633) 8.442 11.115 ( -2.540 3.488 -2.933) 5.218 12.349 ( -0.647 -3.395 -3.445) 4.880 12.401 ( -2.143 -5.138 -3.092) 6.368 13.393 ( -3.696 3.294 13.362) 14.250 13.689 ( 0.744 5.698 -7.277) 9.272 14.809 ( 2.791 -4.033 2.329) 5.429 15.174 ( -6.658 -5.718 -4.888) 10.046 15.707 ( -0.385 -2.159 6.470) 6.832 16.046 ( -11.010 -5.291 -6.449) 13.813 17.548 ( 22.770 9.888 -1.732) 24.885 18.096 ( -10.810 5.757 0.355) 12.253 19.037 ( 2.927 -5.360 6.286) 8.764 19.413 ( -4.283 -4.619 -4.759) 7.895 ======================= Grid point 432 (221/251) ======================= q-point: (-0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 3.154 5.414 0.694) 6.304 1.682 ( 2.054 0.920 -3.496) 4.158 1.819 ( 12.003 2.905 0.328) 12.354 2.043 ( -11.867 5.275 0.945) 13.021 2.275 ( 1.754 2.856 -0.754) 3.435 2.404 ( -0.933 -1.002 -7.471) 7.595 3.121 ( 17.534 -5.715 -1.945) 18.544 3.360 ( -13.888 -5.793 -1.392) 15.112 3.817 ( 4.056 2.596 10.870) 11.889 4.221 ( -3.923 -1.052 1.071) 4.200 4.294 ( -9.038 7.424 -3.490) 12.206 4.391 ( -0.004 -1.818 -1.331) 2.253 5.054 ( 3.200 2.447 8.920) 9.788 5.240 ( 0.217 6.622 -1.859) 6.881 5.738 ( -0.149 -8.143 0.852) 8.189 5.749 ( 1.951 -9.202 -0.058) 9.407 6.402 ( -4.387 8.112 9.277) 13.081 6.590 ( 3.524 1.196 -9.772) 10.457 7.377 ( 4.582 -1.224 1.664) 5.026 7.519 ( -5.674 1.053 -1.193) 5.893 10.650 ( -0.420 0.899 4.528) 4.636 10.751 ( -0.825 -0.070 -2.524) 2.656 10.903 ( 3.136 -0.890 3.410) 4.718 11.024 ( -4.155 2.444 -1.464) 5.038 12.431 ( 1.519 -4.801 0.036) 5.036 12.495 ( 0.833 -5.583 -3.424) 6.602 13.359 ( -4.218 0.526 13.117) 13.789 13.625 ( 0.918 -0.754 -9.208) 9.284 14.947 ( 5.667 -4.778 7.026) 10.213 15.208 ( -4.079 -3.569 -4.925) 7.323 15.801 ( 0.297 -5.524 8.661) 10.277 16.072 ( -7.268 -7.487 -7.831) 13.046 17.542 ( 23.009 9.649 -1.525) 24.997 17.859 ( -17.307 6.446 -1.032) 18.498 19.183 ( 5.287 -3.901 6.190) 9.027 19.420 ( -4.981 -1.438 -4.160) 6.647 ======================= Grid point 433 (222/251) ======================= q-point: (-0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -0.544 4.951 3.476) 6.074 1.656 ( -0.014 1.450 -6.454) 6.614 1.834 ( 1.878 5.004 4.700) 7.117 1.902 ( -0.688 -0.531 -2.343) 2.499 2.270 ( -0.756 -1.018 4.127) 4.318 2.426 ( 2.933 -3.027 -9.476) 10.371 3.351 ( 4.708 -4.446 -1.886) 6.744 3.355 ( -5.111 -6.488 -2.457) 8.617 3.815 ( 7.649 5.926 10.780) 14.486 4.032 ( -10.337 7.236 -8.921) 15.453 4.246 ( 0.560 0.607 10.565) 10.598 4.423 ( -0.996 -2.933 -5.647) 6.441 4.981 ( -3.624 8.735 8.014) 12.396 5.109 ( 3.649 6.465 -3.944) 8.406 5.889 ( -1.684 -5.633 3.971) 7.095 5.929 ( 4.219 -6.551 1.460) 7.928 6.309 ( 0.738 1.191 9.129) 9.236 6.557 ( -1.561 -0.417 -13.523) 13.619 7.407 ( -7.386 1.872 0.685) 7.651 7.418 ( 5.092 3.898 -0.478) 6.430 10.609 ( 0.300 4.206 5.357) 6.818 10.716 ( -1.208 2.000 -4.264) 4.862 10.932 ( -5.447 -0.446 3.871) 6.697 10.997 ( 3.799 -2.572 -1.520) 4.833 12.527 ( 0.406 -3.427 1.033) 3.602 12.588 ( 2.613 -3.620 -4.255) 6.167 13.387 ( -5.133 -3.080 15.393) 16.515 13.668 ( 1.643 -5.320 -10.747) 12.104 15.097 ( 2.614 -4.356 7.485) 9.046 15.215 ( -0.354 -0.765 -3.307) 3.412 15.958 ( -7.202 -9.910 10.547) 16.165 16.183 ( 5.550 -8.286 -10.253) 14.304 17.548 ( 15.204 8.013 0.314) 17.189 17.585 ( -13.731 5.635 -3.573) 15.266 19.279 ( 1.672 -0.419 5.594) 5.853 19.376 ( -2.141 0.980 -3.597) 4.299 ======================= Grid point 434 (223/251) ======================= q-point: (-0.10 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -5.671 -0.151 8.187) 9.960 1.614 ( -3.292 -0.021 -0.131) 3.294 1.809 ( 7.537 3.185 3.495) 8.898 1.929 ( 4.052 -1.522 -6.167) 7.535 2.306 ( -4.653 -3.129 5.760) 8.039 2.521 ( 5.846 -5.986 -9.245) 12.470 3.331 ( -13.663 -4.296 -2.701) 14.575 3.487 ( 3.667 0.416 0.957) 3.813 3.744 ( -0.347 8.962 2.356) 9.273 3.832 ( 8.343 6.831 -0.934) 10.823 4.277 ( -1.865 0.715 12.370) 12.530 4.469 ( 0.702 -4.696 -8.918) 10.103 4.759 ( -7.896 11.193 6.511) 15.166 4.980 ( 7.394 9.300 -4.957) 12.874 5.965 ( -4.003 -4.989 3.521) 7.301 6.078 ( 6.222 -4.259 1.526) 7.693 6.403 ( 6.725 -3.239 9.877) 12.380 6.503 ( -6.578 -1.620 -16.197) 17.557 7.260 ( -8.393 4.754 3.248) 10.178 7.404 ( 4.800 3.584 -0.507) 6.012 10.547 ( 0.016 3.817 6.310) 7.374 10.638 ( -0.860 3.215 -6.077) 6.929 10.909 ( -8.991 -1.925 6.669) 11.358 11.116 ( 6.698 -5.139 -2.938) 8.939 12.556 ( -2.809 -0.801 -0.939) 3.068 12.647 ( 3.761 -0.699 -4.363) 5.802 13.463 ( -7.607 -5.093 17.732) 19.956 13.783 ( 3.577 -7.297 -10.892) 13.590 15.147 ( -7.114 -2.114 1.766) 7.629 15.264 ( 5.354 -2.158 1.001) 5.858 16.079 ( -15.979 -10.172 4.776) 19.535 16.444 ( 18.487 -10.563 -4.769) 21.820 17.284 ( -22.823 5.297 -4.802) 23.917 17.611 ( 21.939 5.246 0.882) 22.574 19.237 ( -5.967 2.840 3.156) 7.324 19.350 ( 3.566 2.857 -1.616) 4.847 ======================= Grid point 438 (224/251) ======================= q-point: ( 0.30 0.30 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 6.727 0.000 2.022) 7.024 1.778 ( 0.599 0.000 3.046) 3.104 2.182 ( 7.753 0.000 -0.686) 7.783 2.203 ( -1.532 -0.000 -0.521) 1.618 2.445 ( 5.381 0.000 0.913) 5.458 2.782 ( -3.028 -0.000 10.833) 11.248 3.104 ( 0.278 0.000 7.354) 7.359 3.435 ( -1.385 -0.000 -1.723) 2.211 3.453 ( 7.148 0.000 -5.448) 8.987 3.754 ( -11.508 -0.000 9.129) 14.689 4.026 ( 3.684 0.000 21.157) 21.475 4.526 ( 12.585 0.000 -2.867) 12.907 4.896 ( -4.009 -0.000 7.895) 8.854 4.986 ( 16.261 0.000 -11.767) 20.072 5.722 ( -13.050 -0.000 -23.165) 26.588 6.034 ( -3.985 -0.000 -11.052) 11.749 6.355 ( 4.896 0.000 -4.270) 6.497 6.840 ( -11.685 -0.000 5.168) 12.777 7.064 ( 2.186 0.000 16.866) 17.007 7.211 ( 2.408 0.000 -2.695) 3.614 10.246 ( -5.746 -0.000 1.075) 5.846 10.430 ( -3.006 -0.000 -0.641) 3.074 10.644 ( -6.383 -0.000 5.689) 8.550 11.354 ( -2.154 -0.000 -11.402) 11.604 12.314 ( -3.271 -0.000 -9.272) 9.832 12.388 ( -10.015 -0.000 -4.474) 10.969 13.828 ( -0.223 -0.000 20.581) 20.582 14.128 ( 5.155 0.000 -3.859) 6.439 14.958 ( -9.259 -0.000 -0.455) 9.270 15.044 ( -12.400 -0.000 -9.582) 15.671 15.737 ( -17.410 -0.000 9.199) 19.691 16.026 ( -5.517 -0.000 -12.651) 13.802 17.949 ( 10.207 0.000 -3.309) 10.730 18.070 ( 13.158 0.000 2.079) 13.321 18.787 ( -7.371 -0.000 2.729) 7.860 19.108 ( -2.417 -0.000 -5.184) 5.720 ======================= Grid point 439 (225/251) ======================= q-point: ( 0.40 0.30 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 4.816 3.512 2.638) 6.518 1.848 ( 2.419 -3.592 4.072) 5.945 2.094 ( -2.337 5.936 -3.034) 7.064 2.221 ( -1.739 -0.149 1.087) 2.056 2.535 ( 13.160 -0.679 0.791) 13.202 2.827 ( 0.001 -0.911 5.287) 5.365 3.039 ( -0.457 9.292 -4.965) 10.545 3.254 ( 6.428 7.462 9.268) 13.524 3.567 ( -13.864 -3.935 2.308) 14.596 3.797 ( 1.243 -8.235 4.233) 9.342 4.180 ( 1.658 -5.043 20.769) 21.437 4.647 ( 11.879 -2.851 -2.592) 12.488 4.875 ( -0.742 1.158 4.303) 4.518 5.089 ( 11.129 -0.891 -5.985) 12.668 5.536 ( -11.540 1.862 -20.683) 23.758 5.934 ( -6.109 2.481 -12.411) 14.054 6.442 ( 6.512 -5.098 -3.287) 8.900 6.780 ( -10.702 -2.270 5.050) 12.050 7.092 ( 2.733 2.441 11.640) 12.204 7.268 ( 0.111 -3.990 0.580) 4.033 10.274 ( -3.565 -6.458 1.356) 7.500 10.438 ( -3.539 -4.105 -0.681) 5.462 10.629 ( -1.044 -0.064 6.918) 6.997 11.289 ( -3.539 0.694 -11.039) 11.614 12.257 ( -4.928 -0.341 -7.255) 8.777 12.314 ( -8.518 -1.643 -6.241) 10.686 13.811 ( -0.486 7.367 19.732) 21.068 14.122 ( 4.079 3.877 -2.796) 6.284 14.823 ( -6.871 3.957 -5.583) 9.698 14.967 ( -11.291 -2.999 -5.108) 12.750 15.647 ( -12.281 -0.987 9.869) 15.786 15.981 ( -3.948 -2.119 -13.569) 14.290 17.897 ( 12.435 8.525 -0.902) 15.103 18.235 ( 5.452 -3.824 0.393) 6.671 18.775 ( -5.570 -2.834 4.227) 7.545 19.104 ( -2.713 -3.536 -6.148) 7.593 ======================= Grid point 440 (226/251) ======================= q-point: ( 0.50 0.30 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 3.478 2.646 4.110) 5.999 1.907 ( -3.047 1.274 2.046) 3.885 1.995 ( 7.855 2.252 -5.123) 9.645 2.194 ( -5.589 0.226 4.072) 6.919 2.599 ( -2.427 2.792 2.992) 4.758 2.787 ( 0.874 9.191 -9.450) 13.212 2.843 ( 18.647 7.955 0.338) 20.276 3.236 ( -5.517 -0.864 6.320) 8.434 3.607 ( -3.230 -6.748 9.028) 11.725 3.955 ( -2.851 -7.364 0.293) 7.902 4.297 ( -0.301 -0.930 16.544) 16.573 4.783 ( 2.963 -0.117 -5.915) 6.617 4.880 ( 5.609 -3.173 5.027) 8.173 5.168 ( 7.955 -0.487 0.260) 7.974 5.382 ( -9.002 -0.614 -14.228) 16.848 5.787 ( -8.166 2.833 -12.530) 15.222 6.600 ( 8.729 -4.287 -1.849) 9.899 6.764 ( -7.966 -1.177 5.985) 10.033 7.118 ( 4.564 -0.349 7.813) 9.055 7.348 ( -3.248 -5.372 0.883) 6.339 10.415 ( -2.626 -9.108 2.801) 9.884 10.523 ( -1.937 -7.159 -2.228) 7.744 10.681 ( 4.300 -1.926 9.566) 10.663 11.214 ( -3.892 1.023 -9.257) 10.094 12.226 ( -6.217 -3.048 -3.640) 7.823 12.271 ( -3.997 -1.476 -8.125) 9.174 13.676 ( -1.503 10.605 18.716) 21.564 14.018 ( 1.810 8.537 -4.059) 9.625 14.723 ( -1.634 0.586 -4.523) 4.844 14.938 ( -10.547 -4.843 -4.444) 12.428 15.631 ( -6.467 -2.363 8.596) 11.014 15.946 ( -3.749 -1.243 -12.229) 12.851 17.868 ( 16.127 6.762 0.029) 17.488 18.266 ( -3.303 1.724 0.151) 3.729 18.828 ( -1.751 -4.609 6.385) 8.067 19.162 ( -3.427 -6.695 -6.998) 10.273 ======================= Grid point 441 (227/251) ======================= q-point: (-0.40 -0.70 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 1.711 1.713 3.332) 4.119 1.817 ( -1.276 4.067 -3.785) 5.700 2.042 ( 11.386 2.990 -0.551) 11.785 2.146 ( -8.242 0.514 5.277) 9.800 2.440 ( -8.440 5.776 4.056) 11.002 2.581 ( 5.193 10.579 -11.882) 16.735 2.967 ( 20.553 -0.776 -0.742) 20.581 3.205 ( -11.633 -2.192 0.386) 11.844 3.770 ( 3.346 -5.664 11.400) 13.162 4.040 ( -6.743 -6.190 -0.010) 9.153 4.334 ( 0.892 0.466 9.579) 9.632 4.639 ( -6.126 7.748 -7.498) 12.401 5.085 ( 7.078 -5.262 8.867) 12.506 5.250 ( 9.674 -0.532 1.733) 9.843 5.368 ( -5.882 -8.165 -6.722) 12.101 5.630 ( -9.909 2.139 -10.903) 14.888 6.691 ( -7.151 4.387 7.423) 11.202 6.695 ( 9.217 1.493 -3.290) 9.900 7.237 ( 4.909 -4.917 6.351) 9.414 7.422 ( -3.879 -5.293 -1.294) 6.688 10.552 ( -2.984 -6.074 4.893) 8.351 10.647 ( 1.960 -6.012 -4.845) 7.966 10.812 ( 4.634 -3.851 10.652) 12.238 11.134 ( -3.592 1.798 -7.008) 8.077 12.248 ( -5.552 -4.957 -1.304) 7.556 12.280 ( 1.004 -3.479 -7.097) 7.967 13.521 ( -2.540 8.577 16.985) 19.197 13.826 ( 0.364 9.764 -7.029) 12.037 14.758 ( 3.367 -3.880 0.383) 5.151 14.959 ( -9.335 -7.111 -4.829) 12.689 15.675 ( -0.959 -2.997 6.685) 7.389 15.907 ( -3.867 -1.317 -8.733) 9.641 17.879 ( 18.516 7.208 -0.766) 19.884 18.124 ( -11.873 6.228 0.185) 13.409 18.964 ( 3.089 -6.621 7.764) 10.661 19.244 ( -4.696 -6.923 -7.026) 10.924 ======================= Grid point 442 (228/251) ======================= q-point: (-0.30 -0.70 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.286 0.619 0.593) 0.903 1.729 ( 0.676 3.358 -3.807) 5.121 2.017 ( -0.626 6.056 4.796) 7.750 2.067 ( 0.537 4.572 1.621) 4.881 2.346 ( -2.692 -0.126 -2.656) 3.784 2.406 ( 4.419 8.052 -8.443) 12.476 3.127 ( -8.154 -3.928 1.140) 9.123 3.180 ( 9.861 -3.356 -3.962) 11.145 3.911 ( 6.829 -1.283 12.806) 14.570 4.094 ( -7.543 -5.180 -3.122) 9.668 4.346 ( -0.133 1.521 3.743) 4.042 4.424 ( -3.899 6.517 -3.306) 8.283 5.160 ( 2.207 2.408 10.931) 11.408 5.324 ( 1.539 2.974 -3.873) 5.120 5.537 ( -1.056 -11.890 -1.454) 12.025 5.564 ( -3.056 -7.660 -4.026) 9.178 6.536 ( -6.918 7.375 8.080) 12.943 6.687 ( 7.773 5.015 -6.387) 11.241 7.368 ( 0.562 -3.468 5.997) 6.950 7.472 ( -0.339 -2.415 -3.653) 4.392 10.634 ( -1.158 -3.123 4.698) 5.759 10.725 ( 0.857 -1.985 -3.792) 4.365 10.923 ( 3.063 -1.343 7.427) 8.145 11.046 ( -2.906 2.900 -4.270) 5.924 12.331 ( -0.204 -6.424 -0.903) 6.490 12.367 ( 0.754 -5.944 -4.291) 7.370 13.411 ( -3.942 4.733 14.892) 16.116 13.656 ( 1.167 5.581 -8.273) 10.047 14.901 ( 4.091 -5.827 5.850) 9.215 15.027 ( -5.920 -8.140 -5.910) 11.672 15.752 ( 0.192 -2.284 7.432) 7.778 15.913 ( 0.413 -4.700 -8.040) 9.322 17.855 ( -14.397 8.208 0.479) 16.579 17.884 ( 15.378 8.338 -2.181) 17.628 19.147 ( 4.386 -6.112 7.910) 10.916 19.299 ( -4.848 -4.971 -6.430) 9.464 ======================= Grid point 443 (229/251) ======================= q-point: (-0.20 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 0.703 3.741 -0.835) 3.897 1.684 ( 0.143 2.759 -4.554) 5.326 1.820 ( -14.176 3.912 0.542) 14.716 2.045 ( 12.275 4.607 2.078) 13.274 2.305 ( 2.169 3.176 -0.984) 3.970 2.364 ( 1.384 -2.113 -6.907) 7.355 3.100 ( -16.418 -6.063 -0.494) 17.509 3.363 ( 12.386 -4.373 -1.794) 13.257 4.005 ( 5.693 3.265 8.084) 10.412 4.037 ( -3.101 2.265 -3.720) 5.346 4.296 ( 0.157 1.639 7.370) 7.551 4.373 ( -0.738 -0.401 -3.188) 3.296 5.123 ( -1.047 6.110 8.259) 10.326 5.199 ( -2.596 3.966 -4.190) 6.327 5.729 ( -1.353 -9.270 0.623) 9.389 5.779 ( 1.679 -11.606 -1.365) 11.806 6.384 ( -4.079 4.851 9.583) 11.489 6.604 ( 4.607 6.297 -9.591) 12.364 7.382 ( -6.299 0.620 1.733) 6.562 7.503 ( 5.373 0.738 -0.193) 5.427 10.674 ( -0.043 0.246 4.384) 4.392 10.726 ( -0.266 0.701 -2.210) 2.334 10.924 ( -4.284 2.743 1.251) 5.238 11.000 ( 3.677 -0.101 0.833) 3.771 12.451 ( 0.739 -4.568 -0.337) 4.640 12.483 ( 0.419 -7.022 -3.843) 8.016 13.366 ( -4.497 0.567 13.997) 14.712 13.598 ( 2.247 -0.354 -8.198) 8.508 15.019 ( -5.310 -4.867 3.911) 8.196 15.150 ( 4.264 -6.191 -3.130) 8.143 15.790 ( -7.034 -3.143 8.904) 11.774 16.079 ( 12.809 -8.751 -7.657) 17.300 17.532 ( -21.799 8.264 -0.844) 23.328 17.871 ( 18.180 7.917 -1.889) 19.918 19.253 ( -5.272 -2.383 2.563) 6.328 19.353 ( 3.903 -3.040 -0.784) 5.009 ======================= Grid point 444 (230/251) ======================= q-point: (-0.10 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -7.868 5.457 0.968) 9.624 1.622 ( -0.841 1.932 1.208) 2.429 1.789 ( -0.087 -3.962 -5.427) 6.720 2.069 ( 12.180 4.663 1.280) 13.104 2.279 ( -0.799 1.033 3.785) 4.004 2.423 ( 3.272 -4.823 -9.407) 11.066 3.090 ( -15.789 -6.664 -1.883) 17.241 3.512 ( 6.023 -2.430 2.256) 6.876 3.833 ( -7.247 6.423 -4.922) 10.863 4.079 ( 13.719 5.769 8.673) 17.225 4.315 ( 0.817 0.509 7.298) 7.361 4.376 ( 0.523 -2.442 -4.664) 5.291 4.956 ( -3.897 11.020 7.900) 14.109 5.118 ( 0.003 3.098 -5.701) 6.488 5.834 ( -5.314 -4.651 0.655) 7.092 5.991 ( 2.333 -9.496 -2.296) 10.045 6.389 ( 1.470 -2.775 9.025) 9.556 6.486 ( 1.934 4.799 -9.427) 10.754 7.281 ( -7.152 3.940 1.545) 8.310 7.514 ( 4.790 2.858 1.942) 5.906 10.640 ( -0.617 3.795 4.359) 5.812 10.689 ( 0.952 3.064 -2.695) 4.190 10.847 ( -6.427 0.736 4.350) 7.796 11.072 ( 4.872 -3.458 -0.668) 6.012 12.501 ( -2.445 -1.978 -1.857) 3.653 12.595 ( 0.292 -4.791 -3.806) 6.126 13.386 ( -5.369 -2.231 14.708) 15.815 13.655 ( 3.279 -5.512 -7.742) 10.053 15.038 ( -8.306 -2.865 -0.446) 8.798 15.268 ( 4.704 -2.400 -0.846) 5.348 15.830 ( -10.287 -5.949 7.331) 13.963 16.382 ( 18.884 -10.455 -4.595) 22.069 17.198 ( -22.746 6.682 -3.440) 23.956 17.876 ( 17.072 5.842 -0.497) 18.051 19.214 ( -8.092 0.281 0.840) 8.141 19.419 ( 4.612 0.755 0.809) 4.743 ======================= Grid point 449 (231/251) ======================= q-point: ( 0.40 0.40 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 3.292 0.000 6.310) 7.117 1.827 ( 3.318 0.000 3.520) 4.838 2.139 ( -2.764 -0.000 -5.685) 6.322 2.159 ( -6.661 -0.000 -0.400) 6.673 2.641 ( 13.227 0.000 0.936) 13.260 2.809 ( -1.546 -0.000 8.896) 9.029 3.185 ( 8.013 0.000 -4.519) 9.199 3.393 ( -12.007 -0.000 0.395) 12.014 3.438 ( -0.045 -0.000 9.964) 9.964 3.705 ( 1.511 0.000 1.421) 2.074 4.217 ( 3.802 0.000 24.016) 24.315 4.709 ( 11.309 0.000 -2.350) 11.551 4.865 ( -4.963 -0.000 7.064) 8.633 5.161 ( 11.076 0.000 -14.278) 18.070 5.415 ( -9.016 -0.000 -14.047) 16.692 5.872 ( -7.326 -0.000 -13.332) 15.212 6.428 ( 7.609 0.000 -4.493) 8.837 6.657 ( -13.928 -0.000 5.441) 14.953 7.156 ( -1.170 -0.000 12.708) 12.762 7.254 ( 4.266 0.000 -2.179) 4.790 10.191 ( -1.235 -0.000 0.729) 1.434 10.354 ( -4.733 -0.000 -2.708) 5.453 10.654 ( 2.218 0.000 8.762) 9.039 11.221 ( -5.490 -0.000 -12.657) 13.797 12.199 ( -9.638 -0.000 -2.671) 10.001 12.210 ( -2.628 -0.000 -8.977) 9.354 13.944 ( 0.607 0.000 18.258) 18.268 14.188 ( 4.172 0.000 -2.245) 4.738 14.809 ( -7.356 -0.000 -2.969) 7.933 14.829 ( -6.745 -0.000 -8.813) 11.098 15.567 ( -11.740 -0.000 13.859) 18.163 15.908 ( -0.072 -0.000 -14.448) 14.448 18.068 ( 6.561 0.000 -1.563) 6.745 18.203 ( 2.446 0.000 -0.725) 2.551 18.736 ( -1.051 -0.000 5.297) 5.400 19.030 ( -3.025 -0.000 -6.459) 7.133 ======================= Grid point 450 (232/251) ======================= q-point: (-0.50 -0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 3.011 3.411 5.547) 7.174 1.890 ( -2.207 -0.850 6.653) 7.061 2.049 ( -0.084 1.613 -3.654) 3.995 2.146 ( -4.517 -1.093 -3.145) 5.611 2.691 ( 5.132 4.397 3.863) 7.784 2.839 ( -3.192 -0.325 0.935) 3.342 3.125 ( 13.241 7.092 -4.171) 15.589 3.261 ( -12.945 5.265 4.213) 14.596 3.515 ( 6.467 -4.878 9.329) 12.355 3.795 ( -1.404 -5.981 -3.338) 6.992 4.333 ( 1.447 -1.282 23.805) 23.883 4.798 ( 5.405 -0.158 -3.604) 6.498 4.864 ( 0.073 -2.598 4.730) 5.397 5.155 ( -1.914 -1.504 -19.529) 19.680 5.344 ( 2.207 2.324 0.457) 3.237 5.739 ( -8.722 2.718 -13.361) 16.185 6.550 ( 8.696 -6.030 -2.749) 10.934 6.625 ( -11.032 -5.686 4.531) 13.213 7.167 ( -1.696 0.499 10.531) 10.678 7.287 ( 3.216 -0.643 -2.442) 4.089 10.253 ( -0.393 -5.997 2.421) 6.479 10.369 ( -1.783 -5.860 -4.668) 7.701 10.720 ( 5.025 -1.085 10.466) 11.660 11.143 ( -6.100 -0.549 -12.302) 13.742 12.128 ( -6.769 -0.871 -0.830) 6.875 12.192 ( -1.337 -1.837 -8.250) 8.557 13.914 ( 0.156 8.211 17.230) 19.087 14.162 ( 2.639 5.322 -3.192) 6.744 14.722 ( -1.304 1.587 -4.847) 5.264 14.786 ( -6.908 -1.821 -5.045) 8.746 15.551 ( -7.792 -2.645 13.744) 16.019 15.882 ( 1.087 -0.661 -14.307) 14.363 18.069 ( 9.193 3.382 0.379) 9.803 18.229 ( -5.119 -1.295 -1.658) 5.535 18.778 ( 1.848 -2.301 6.477) 7.117 19.017 ( -3.223 -3.294 -7.280) 8.616 ======================= Grid point 451 (233/251) ======================= q-point: (-0.40 -0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 0.807 3.518 5.656) 6.709 1.844 ( -4.093 2.496 0.313) 4.804 2.068 ( -4.851 -2.196 2.823) 6.027 2.130 ( 4.620 -0.289 -3.609) 5.870 2.562 ( -5.050 10.130 9.114) 14.532 2.747 ( 0.087 5.641 -7.517) 9.399 3.091 ( -8.295 2.241 1.767) 8.772 3.176 ( 16.538 3.256 -5.435) 17.710 3.709 ( 4.196 -7.496 10.735) 13.749 3.867 ( -3.768 -5.487 -3.968) 7.749 4.398 ( 0.152 1.244 18.701) 18.743 4.708 ( -4.651 5.997 -6.538) 10.017 5.025 ( 4.799 -7.462 2.963) 9.354 5.154 ( -3.698 -6.678 -11.123) 13.491 5.351 ( 7.268 2.168 6.677) 10.105 5.569 ( -9.836 3.144 -12.243) 16.016 6.654 ( -8.799 -3.514 5.327) 10.870 6.740 ( 9.411 -4.285 -2.903) 10.740 7.195 ( -2.603 -2.993 8.605) 9.475 7.327 ( 3.574 -2.276 -3.962) 5.801 10.391 ( -3.086 -8.225 5.053) 10.135 10.513 ( 4.091 -8.591 -6.315) 11.420 10.833 ( 6.327 -2.335 11.281) 13.144 11.076 ( -5.658 -0.971 -11.118) 12.513 12.122 ( -4.514 -3.222 1.321) 5.702 12.215 ( 1.960 -2.722 -7.310) 8.043 13.759 ( -1.022 11.820 17.290) 20.969 14.007 ( 0.738 10.192 -6.442) 12.079 14.730 ( 4.430 -2.051 -0.910) 4.966 14.769 ( -6.616 -3.925 -4.156) 8.743 15.613 ( -2.303 -4.370 10.600) 11.695 15.860 ( 1.150 0.105 -11.772) 11.828 18.102 ( 8.147 3.431 0.960) 8.892 18.130 ( -7.771 3.785 -1.549) 8.781 18.894 ( 3.818 -5.416 7.701) 10.159 19.059 ( -3.689 -6.028 -7.891) 10.593 ======================= Grid point 452 (234/251) ======================= q-point: (-0.30 -0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -0.520 3.214 4.104) 5.239 1.762 ( -3.261 1.942 -2.775) 4.701 2.016 ( -9.484 1.735 1.998) 9.846 2.210 ( 9.702 -0.049 -0.056) 9.702 2.359 ( -6.069 6.623 7.649) 11.799 2.602 ( 4.958 9.330 -10.064) 14.592 2.968 ( -15.507 0.042 -1.421) 15.572 3.263 ( 15.875 0.184 -4.798) 16.585 3.895 ( -4.951 -8.411 1.781) 9.921 3.959 ( 6.951 -4.013 5.970) 10.004 4.407 ( 0.603 2.430 12.244) 12.498 4.512 ( -4.699 7.508 -5.682) 10.523 5.154 ( -6.295 -6.255 2.921) 9.343 5.315 ( 6.972 -8.499 -2.666) 11.311 5.388 ( -7.998 3.033 -6.110) 10.512 5.431 ( 4.333 -2.590 3.012) 5.879 6.599 ( -8.393 3.283 5.975) 10.813 6.821 ( 8.688 2.620 -4.867) 10.297 7.270 ( -5.486 -5.581 4.044) 8.809 7.425 ( 6.397 -4.061 -2.328) 7.927 10.531 ( -2.839 -7.152 4.924) 9.136 10.668 ( 3.897 -4.691 -4.914) 7.832 10.950 ( 4.296 -1.457 8.996) 10.075 11.028 ( -3.033 -0.815 -8.296) 8.870 12.189 ( -1.717 -6.122 1.296) 6.489 12.286 ( 3.999 -3.852 -4.899) 7.405 13.572 ( -3.298 10.371 16.261) 19.566 13.795 ( 1.822 9.694 -7.930) 12.656 14.793 ( -6.045 -5.550 -1.569) 8.355 14.872 ( 7.068 -6.192 1.751) 9.559 15.734 ( 3.632 -4.190 6.798) 8.773 15.841 ( 1.547 -1.116 -8.167) 8.387 17.872 ( -18.095 8.380 -0.145) 19.942 18.141 ( 13.595 5.071 -1.354) 14.573 19.067 ( 1.020 -6.492 5.760) 8.738 19.140 ( -0.324 -7.108 -4.941) 8.663 ======================= Grid point 453 (235/251) ======================= q-point: (-0.20 -0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -1.031 1.101 -0.018) 1.508 1.714 ( -2.212 0.542 -1.227) 2.587 1.837 ( -11.518 8.422 -1.564) 14.355 2.200 ( 2.216 4.309 4.068) 6.327 2.337 ( 5.909 -0.737 -4.635) 7.546 2.439 ( 4.326 7.665 -4.685) 9.971 2.868 ( -16.333 -3.911 -0.724) 16.811 3.386 ( 10.955 -2.360 -2.355) 11.451 3.957 ( -5.292 -2.573 -4.560) 7.445 4.133 ( 10.053 -3.476 9.423) 14.210 4.356 ( -2.181 3.828 1.334) 4.603 4.389 ( 1.220 2.940 5.594) 6.436 5.199 ( -5.042 0.194 3.309) 6.034 5.210 ( -7.729 2.483 -4.729) 9.395 5.539 ( 3.077 -9.684 -0.122) 10.162 5.593 ( 3.951 -7.899 2.574) 9.199 6.461 ( -7.183 5.185 7.061) 11.329 6.764 ( 6.149 7.333 -7.673) 12.266 7.320 ( -4.826 -2.984 0.171) 5.676 7.535 ( 5.555 -2.040 0.471) 5.936 10.637 ( -1.925 -4.399 4.203) 6.381 10.723 ( 1.506 -0.715 -3.080) 3.502 10.951 ( -2.731 2.257 -1.885) 4.014 11.040 ( 3.583 0.158 2.917) 4.623 12.326 ( 0.341 -8.063 -1.019) 8.135 12.384 ( 3.501 -3.776 -2.233) 5.613 13.423 ( -4.896 5.602 13.882) 15.750 13.651 ( 3.745 5.421 -6.730) 9.419 14.855 ( -6.670 -6.286 -0.954) 9.215 15.068 ( 6.750 -6.807 3.793) 10.310 15.764 ( -1.276 1.394 2.356) 3.020 16.001 ( 13.484 -9.137 -3.294) 16.618 17.528 ( -22.041 9.954 -0.051) 24.185 18.130 ( 12.415 6.378 -2.534) 14.185 19.137 ( -6.110 -4.071 -1.966) 7.600 19.311 ( 5.961 -6.223 3.530) 9.312 ======================= Grid point 454 (236/251) ======================= q-point: (-0.10 -0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -11.428 8.869 -2.246) 14.639 1.658 ( 1.257 1.161 -1.496) 2.273 1.707 ( -0.551 -1.955 -2.818) 3.474 2.188 ( 4.358 -0.028 -2.501) 5.025 2.322 ( 1.837 2.148 -4.560) 5.366 2.414 ( 7.877 2.221 0.735) 8.217 2.839 ( -14.791 -5.900 -0.214) 15.926 3.511 ( 6.211 -3.206 2.094) 7.297 3.868 ( -6.015 4.473 -4.989) 9.004 4.269 ( 4.949 0.040 4.247) 6.522 4.335 ( -0.244 1.616 3.165) 3.562 4.381 ( 9.334 -0.116 6.066) 11.132 5.054 ( -8.481 1.854 -3.478) 9.352 5.173 ( -1.153 5.061 4.794) 7.065 5.705 ( -1.275 -5.836 -0.616) 6.006 5.785 ( 0.145 -10.350 -1.521) 10.462 6.384 ( -2.568 -0.226 9.528) 9.871 6.621 ( 3.744 8.537 -9.369) 13.216 7.298 ( -3.649 1.659 -0.024) 4.009 7.589 ( 3.647 0.634 2.243) 4.329 10.681 ( -1.816 -0.265 2.941) 3.467 10.729 ( 1.517 0.552 -0.489) 1.687 10.861 ( -3.246 3.532 0.431) 4.816 11.070 ( 3.314 -0.320 1.411) 3.616 12.442 ( -0.318 -2.869 -3.428) 4.481 12.477 ( 0.441 -5.540 -0.933) 5.635 13.367 ( -4.533 0.395 12.512) 13.314 13.611 ( 4.020 0.203 -5.835) 7.089 14.902 ( -7.005 -4.352 -1.052) 8.314 15.235 ( 4.276 -4.673 1.112) 6.431 15.735 ( -4.129 -0.060 5.457) 6.843 16.326 ( 20.023 -10.716 -3.614) 22.996 17.155 ( -23.157 9.021 -1.408) 24.891 18.100 ( 10.882 5.573 -2.002) 12.389 19.134 ( -7.038 -1.709 -0.726) 7.279 19.449 ( 4.668 -2.270 2.525) 5.772 ======================= Grid point 460 (237/251) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -6.475 -0.000 10.315) 12.179 1.913 ( 1.477 0.000 7.667) 7.808 2.025 ( -6.280 -0.000 -3.168) 7.033 2.113 ( 5.301 0.000 -7.667) 9.321 2.797 ( -5.614 -0.000 3.852) 6.809 2.824 ( 8.030 0.000 2.398) 8.380 3.174 ( -14.880 -0.000 6.389) 16.194 3.267 ( 3.757 0.000 -2.534) 4.532 3.565 ( 9.463 0.000 5.448) 10.919 3.736 ( 3.568 0.000 -8.113) 8.862 4.411 ( 1.936 0.000 27.313) 27.382 4.815 ( -5.416 -0.000 5.474) 7.701 4.855 ( 8.611 0.000 -6.235) 10.631 5.030 ( -7.094 -0.000 -22.465) 23.558 5.426 ( 6.791 0.000 6.173) 9.177 5.655 ( -9.701 -0.000 -13.496) 16.621 6.466 ( -12.801 -0.000 5.501) 13.933 6.559 ( 11.323 0.000 -3.655) 11.898 7.175 ( -3.987 -0.000 9.862) 10.637 7.313 ( 4.625 0.000 -3.434) 5.760 10.219 ( 4.106 0.000 0.740) 4.172 10.273 ( -1.979 -0.000 -4.684) 5.085 10.783 ( 5.843 0.000 11.509) 12.907 11.045 ( -6.864 -0.000 -12.927) 14.637 12.074 ( -4.581 -0.000 0.968) 4.682 12.152 ( 1.512 0.000 -6.496) 6.669 14.043 ( 0.054 0.000 14.081) 14.081 14.231 ( 2.971 0.000 -3.867) 4.877 14.703 ( -3.177 -0.000 -2.236) 3.885 14.741 ( 1.244 0.000 -6.345) 6.466 15.505 ( -6.750 -0.000 17.438) 18.699 15.855 ( 3.571 0.000 -14.644) 15.073 18.152 ( 4.196 0.000 0.097) 4.197 18.164 ( -5.275 -0.000 -1.196) 5.409 18.800 ( 3.861 0.000 6.145) 7.257 18.941 ( -2.960 -0.000 -7.353) 7.927 ======================= Grid point 461 (238/251) ======================= q-point: (-0.40 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -9.025 1.540 7.417) 11.782 1.929 ( -0.573 1.263 7.502) 7.629 1.975 ( -3.743 0.252 -1.125) 3.917 2.155 ( 6.381 -0.730 -4.174) 7.660 2.739 ( -9.414 1.604 0.239) 9.553 2.777 ( 2.057 8.808 6.288) 11.016 3.061 ( -9.489 1.924 -0.011) 9.682 3.343 ( 12.028 -2.109 0.343) 12.216 3.619 ( -2.116 0.046 -0.730) 2.239 3.791 ( 7.494 -4.019 -5.170) 9.952 4.485 ( -0.232 1.241 24.635) 24.667 4.753 ( -3.966 3.726 -3.042) 6.235 4.889 ( -6.079 -4.252 -10.708) 13.027 5.018 ( 5.011 -5.722 -5.868) 9.606 5.476 ( 5.757 2.324 8.765) 10.741 5.512 ( -8.840 2.485 -11.508) 14.723 6.468 ( -10.210 -7.498 4.896) 13.581 6.705 ( 11.079 -5.377 -3.003) 12.676 7.162 ( -4.743 0.127 8.385) 9.634 7.338 ( 4.814 -0.173 -4.637) 6.686 10.266 ( 0.018 -3.710 1.557) 4.023 10.370 ( 5.936 -8.159 -5.077) 11.295 10.881 ( 6.183 -1.388 11.845) 13.433 10.966 ( -6.390 -1.235 -12.291) 13.907 12.064 ( -1.641 -1.077 3.276) 3.819 12.177 ( 4.279 -1.713 -5.152) 6.913 13.997 ( -1.119 7.972 12.842) 15.157 14.170 ( 1.797 6.932 -6.331) 9.558 14.688 ( -1.315 -0.369 -1.858) 2.306 14.748 ( 5.822 -0.251 -2.098) 6.193 15.548 ( -2.912 -3.567 16.172) 16.815 15.851 ( 4.654 0.053 -13.459) 14.241 18.088 ( -10.399 2.497 -1.318) 10.775 18.199 ( 5.801 -1.280 1.159) 6.052 18.873 ( 4.497 -2.450 6.378) 8.180 18.926 ( -2.357 -2.927 -7.591) 8.471 ======================= Grid point 462 (239/251) ======================= q-point: (-0.30 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -8.683 -0.168 4.129) 9.616 1.851 ( 1.272 7.645 3.158) 8.369 1.957 ( -7.655 -1.549 2.055) 8.076 2.229 ( 5.809 -2.879 -0.599) 6.511 2.529 ( -6.521 11.494 11.053) 17.228 2.699 ( -1.694 1.260 -3.899) 4.434 2.925 ( -7.293 6.343 -6.068) 11.412 3.413 ( 14.189 4.794 -9.003) 17.474 3.669 ( -6.481 -10.301 2.650) 12.456 3.938 ( 6.397 -5.328 1.147) 8.403 4.502 ( -1.003 2.318 18.501) 18.672 4.602 ( -3.077 6.826 -6.226) 9.738 4.925 ( -8.984 -8.104 -3.784) 12.677 5.203 ( 5.770 -7.934 -2.405) 10.101 5.349 ( -7.674 2.631 -9.525) 12.511 5.521 ( 6.900 1.914 11.490) 13.538 6.539 ( -8.212 -4.344 4.147) 10.173 6.870 ( 8.460 -3.504 -4.043) 10.010 7.152 ( -5.310 -1.744 4.106) 6.935 7.399 ( 6.058 -3.259 -3.454) 7.698 10.379 ( -1.189 -7.178 3.602) 8.119 10.581 ( 7.971 -7.956 -5.266) 12.432 10.912 ( -5.465 -2.399 -10.647) 12.206 11.000 ( 5.355 -1.810 9.572) 11.116 12.107 ( 0.482 -2.754 4.651) 5.427 12.252 ( 6.304 -2.756 -3.744) 7.833 13.813 ( -3.611 12.231 12.350) 17.753 13.992 ( 2.897 10.426 -7.053) 12.917 14.684 ( -1.466 -1.347 -1.132) 2.290 14.853 ( 9.177 -3.686 2.831) 10.287 15.684 ( 3.959 -6.280 11.280) 13.504 15.844 ( 4.388 1.097 -10.382) 11.325 17.879 ( -16.635 7.354 -0.920) 18.211 18.272 ( 6.370 0.030 -0.416) 6.384 18.962 ( -1.006 -4.159 -4.699) 6.356 19.019 ( 4.673 -6.971 4.823) 9.679 ======================= Grid point 463 (240/251) ======================= q-point: (-0.20 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -8.232 -0.802 2.848) 8.747 1.721 ( -1.494 5.520 2.061) 6.079 1.884 ( -6.424 3.716 -1.517) 7.575 2.318 ( -5.064 7.112 9.009) 12.545 2.349 ( 7.083 -2.764 -1.369) 7.725 2.638 ( 4.909 10.121 -7.059) 13.280 2.693 ( -13.494 -0.092 -4.665) 14.278 3.435 ( 8.610 -0.016 -5.819) 10.392 3.830 ( -0.037 -7.164 0.530) 7.184 4.094 ( 1.600 -6.497 2.855) 7.275 4.424 ( -2.622 5.961 -3.795) 7.538 4.513 ( 2.587 2.985 15.959) 16.440 5.022 ( -8.194 -9.937 -2.286) 13.081 5.160 ( -10.771 2.985 -8.168) 13.844 5.439 ( 7.644 -7.126 0.038) 10.450 5.591 ( 6.585 -0.186 11.140) 12.942 6.494 ( -8.016 2.674 4.449) 9.550 6.913 ( 6.272 4.500 -6.983) 10.410 7.190 ( -4.167 -6.062 -0.828) 7.402 7.519 ( 4.946 -4.054 -0.702) 6.433 10.515 ( -2.326 -6.909 4.091) 8.359 10.715 ( 4.816 -1.626 -3.790) 6.341 10.910 ( -2.659 -3.277 -8.843) 9.799 11.080 ( 3.255 -0.213 6.735) 7.484 12.206 ( 2.228 -5.235 3.064) 6.462 12.355 ( 6.570 -3.062 -1.893) 7.491 13.578 ( -5.371 10.866 11.334) 16.595 13.814 ( 4.811 9.213 -5.771) 11.888 14.717 ( -1.830 -3.495 0.466) 3.972 15.025 ( 7.592 -5.148 5.658) 10.777 15.812 ( 3.427 2.608 -3.557) 5.585 15.931 ( 13.292 -9.379 2.678) 16.486 17.548 ( -21.284 10.444 -0.270) 23.710 18.281 ( 4.100 2.766 -3.084) 5.828 19.019 ( -1.188 -3.688 -3.189) 5.018 19.229 ( 5.372 -8.298 4.923) 11.043 ======================= Grid point 464 (241/251) ======================= q-point: (-0.10 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -11.577 4.140 0.442) 12.303 1.658 ( -0.594 0.708 0.394) 1.005 1.741 ( 0.043 4.592 -5.445) 7.123 2.204 ( -1.873 2.840 2.844) 4.434 2.388 ( 3.030 4.434 -11.221) 12.440 2.513 ( -0.146 -1.810 4.941) 5.264 2.664 ( -2.006 -0.562 -1.545) 2.593 3.509 ( 5.345 -2.360 -0.344) 5.853 3.883 ( -1.691 1.713 -2.718) 3.631 4.206 ( -3.383 -5.197 0.552) 6.226 4.350 ( -0.017 -0.037 1.816) 1.816 4.547 ( 9.468 2.446 13.104) 16.351 4.986 ( -11.676 2.661 -6.866) 13.803 5.145 ( -4.907 -7.695 0.297) 9.132 5.610 ( 4.989 -4.867 0.460) 6.985 5.687 ( 3.929 -2.052 7.045) 8.324 6.388 ( -6.352 2.075 6.203) 9.118 6.789 ( 2.735 8.626 -9.463) 13.093 7.265 ( -0.766 -3.215 -2.465) 4.123 7.606 ( 2.143 -1.889 1.168) 3.086 10.616 ( -3.005 -4.731 3.416) 6.563 10.745 ( 2.961 -0.111 -2.060) 3.609 10.894 ( -1.941 1.586 -3.344) 4.179 11.104 ( 1.425 0.748 2.577) 3.038 12.340 ( 2.119 -5.649 -0.426) 6.048 12.446 ( 4.736 -1.537 -0.718) 5.031 13.410 ( -5.154 5.091 11.535) 13.622 13.693 ( 5.012 5.817 -5.757) 9.597 14.778 ( -2.227 -3.888 1.375) 4.687 15.184 ( 3.963 -4.705 4.761) 7.779 15.767 ( 1.156 3.216 0.007) 3.418 16.278 ( 21.208 -11.099 -0.746) 23.949 17.155 ( -23.167 10.890 -0.328) 25.602 18.233 ( 1.780 3.254 -3.778) 5.294 19.056 ( -1.721 -1.829 -0.816) 2.641 19.417 ( 4.039 -5.569 3.236) 7.603 ======================= Grid point 471 (242/251) ======================= q-point: (-0.40 -0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -7.434 -0.000 8.796) 11.517 1.819 ( -12.479 -0.000 6.074) 13.879 2.066 ( 6.596 0.000 1.298) 6.722 2.183 ( 4.722 0.000 -2.859) 5.520 2.649 ( -12.355 -0.000 -0.155) 12.356 2.933 ( 4.959 0.000 -1.001) 5.059 3.038 ( -6.317 -0.000 7.297) 9.651 3.288 ( -2.755 -0.000 7.529) 8.017 3.723 ( 2.513 0.000 -13.601) 13.831 3.746 ( 10.386 0.000 -2.502) 10.683 4.549 ( -3.830 -0.000 18.247) 18.645 4.731 ( -7.965 -0.000 -23.301) 24.625 4.778 ( -3.082 -0.000 12.408) 12.784 4.988 ( 6.122 0.000 -4.719) 7.730 5.428 ( -8.685 -0.000 -10.375) 13.530 5.585 ( 5.968 0.000 12.181) 13.565 6.318 ( -8.979 -0.000 5.922) 10.756 6.741 ( 12.747 0.000 -2.869) 13.066 7.149 ( -5.169 -0.000 8.072) 9.585 7.355 ( 3.528 0.000 -6.209) 7.141 10.249 ( 2.568 0.000 -5.034) 5.651 10.323 ( 7.733 0.000 0.476) 7.747 10.871 ( -5.267 -0.000 -11.588) 12.729 10.952 ( 5.985 0.000 12.430) 13.796 12.065 ( 1.179 0.000 4.674) 4.821 12.196 ( 6.971 0.000 -2.778) 7.504 14.086 ( -3.049 -0.000 8.306) 8.848 14.234 ( 1.661 0.000 -8.643) 8.801 14.708 ( 4.567 0.000 2.149) 5.047 14.794 ( 8.195 0.000 -2.867) 8.682 15.541 ( -1.633 -0.000 19.606) 19.674 15.863 ( 7.180 0.000 -13.145) 14.978 18.047 ( -8.536 -0.000 0.340) 8.543 18.193 ( -0.114 -0.000 0.226) 0.253 18.864 ( -0.799 -0.000 -6.977) 7.023 18.904 ( 4.555 0.000 5.526) 7.161 ======================= Grid point 472 (243/251) ======================= q-point: (-0.30 -0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -9.896 2.344 6.970) 12.329 1.839 ( -7.647 -4.997 5.098) 10.461 2.039 ( 3.784 7.751 3.000) 9.132 2.207 ( -1.771 -1.518 0.973) 2.527 2.569 ( -7.561 -0.526 -2.110) 7.868 2.838 ( 0.535 11.939 8.635) 14.744 2.966 ( -0.821 2.386 -5.345) 5.911 3.425 ( -7.576 -9.793 5.173) 13.419 3.606 ( 10.706 5.950 -11.165) 16.573 3.875 ( 2.847 -4.435 -2.201) 5.711 4.533 ( -7.817 -0.322 9.759) 12.508 4.628 ( -4.979 -0.612 -19.172) 19.817 4.779 ( -3.810 0.645 11.827) 12.442 5.092 ( 4.152 -6.505 -3.674) 8.547 5.323 ( -4.174 2.285 -4.320) 6.426 5.649 ( 5.915 1.848 13.338) 14.707 6.355 ( -6.873 -7.599 4.847) 11.335 6.862 ( 9.551 -2.484 -2.711) 10.234 7.127 ( -4.049 0.272 5.766) 7.051 7.375 ( 3.477 -1.817 -6.824) 7.871 10.290 ( 3.023 -3.036 -0.478) 4.311 10.475 ( 8.545 -7.977 -3.690) 12.258 10.812 ( -3.141 -0.489 -10.271) 10.752 11.043 ( 4.769 -1.124 11.655) 12.643 12.105 ( 2.959 -0.841 6.017) 6.758 12.267 ( 8.508 -1.220 -1.310) 8.694 13.999 ( -5.324 7.438 6.590) 11.273 14.158 ( 2.096 6.034 -9.419) 11.381 14.726 ( 6.314 3.402 2.400) 7.563 14.890 ( 10.907 -1.984 1.798) 11.231 15.644 ( 3.690 -4.752 16.800) 17.844 15.885 ( 8.258 0.932 -11.037) 13.816 17.889 ( -13.482 7.006 -0.174) 15.195 18.242 ( -1.881 -4.578 -0.400) 4.966 18.880 ( 2.226 -3.053 -5.760) 6.888 18.980 ( 4.264 -2.757 5.582) 7.546 ======================= Grid point 473 (244/251) ======================= q-point: (-0.20 -0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -9.347 -0.432 5.355) 10.781 1.851 ( -6.878 1.555 5.484) 8.933 1.885 ( 0.590 7.683 0.629) 7.731 2.239 ( -7.626 -5.523 2.936) 9.863 2.488 ( -1.361 6.200 2.330) 6.762 2.667 ( -1.529 6.900 -0.506) 7.086 2.835 ( 2.457 8.407 -6.144) 10.699 3.440 ( -1.070 -2.259 -10.200) 10.502 3.741 ( 10.448 -5.987 4.400) 12.820 3.962 ( -4.256 -5.809 1.319) 7.321 4.500 ( -2.647 3.821 -4.134) 6.221 4.547 ( -7.179 -2.044 3.855) 8.401 4.792 ( -5.960 -5.104 -0.596) 7.869 5.136 ( -4.117 2.311 -5.019) 6.891 5.363 ( 6.207 -6.266 4.331) 9.826 5.699 ( 6.454 1.706 12.995) 14.609 6.439 ( -6.462 -3.623 2.735) 7.897 6.963 ( 6.075 -2.907 -4.290) 7.985 7.091 ( -3.418 0.914 -0.468) 3.569 7.459 ( 3.473 -4.966 -3.638) 7.068 10.394 ( 0.591 -5.284 3.034) 6.121 10.696 ( 8.423 -7.846 -5.707) 12.848 10.779 ( -1.770 -1.236 -9.484) 9.727 11.119 ( 2.014 -0.346 9.145) 9.371 12.180 ( 4.443 -2.149 5.978) 7.752 12.365 ( 8.358 -1.896 -0.211) 8.573 13.781 ( -6.143 11.468 6.926) 14.738 14.011 ( 3.467 8.655 -8.027) 12.302 14.722 ( 5.581 2.387 3.614) 7.064 15.031 ( 8.551 -2.754 5.993) 10.799 15.867 ( 9.455 -4.443 -1.627) 10.573 15.907 ( 12.021 -1.777 3.817) 12.737 17.581 ( -19.401 10.621 -0.409) 22.122 18.276 ( -4.964 -1.869 -3.348) 6.272 18.965 ( 4.956 -3.148 -3.245) 6.709 19.125 ( 4.029 -7.380 5.299) 9.939 ======================= Grid point 474 (245/251) ======================= q-point: (-0.10 -0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -8.989 0.441 3.761) 9.754 1.710 ( -2.272 5.527 4.560) 7.517 1.796 ( -2.094 3.587 -4.535) 6.150 2.259 ( -9.427 -0.236 5.473) 10.903 2.395 ( -2.666 0.735 3.060) 4.125 2.472 ( -1.282 6.945 -13.036) 14.826 2.782 ( 12.126 3.915 0.665) 12.760 3.485 ( 2.249 -3.437 -4.714) 6.252 3.904 ( 5.963 -0.631 -0.097) 5.997 4.045 ( -6.999 -7.536 4.782) 11.342 4.368 ( -3.075 3.445 -2.346) 5.180 4.599 ( -2.843 -4.186 6.814) 8.488 4.872 ( -7.906 -9.398 -5.556) 13.479 5.014 ( -1.889 5.250 -0.029) 5.580 5.562 ( 6.605 -6.531 3.302) 9.858 5.760 ( 6.129 1.333 12.195) 13.714 6.391 ( -6.985 2.345 2.663) 7.834 6.929 ( 1.183 6.929 -9.799) 12.060 7.153 ( 1.260 -7.272 -2.454) 7.778 7.561 ( 0.602 -3.942 -1.077) 4.131 10.501 ( -2.074 -5.387 3.829) 6.927 10.767 ( 3.249 0.129 -5.198) 6.131 10.848 ( 1.767 -4.036 -6.446) 7.808 11.133 ( -1.084 1.148 5.287) 5.517 12.290 ( 5.755 -3.329 3.265) 7.407 12.464 ( 6.734 -1.602 0.533) 6.942 13.543 ( -5.731 9.835 9.560) 14.865 13.855 ( 4.129 8.294 -7.909) 12.182 14.754 ( 4.742 0.053 4.835) 6.772 15.156 ( 3.797 -3.069 6.946) 8.490 15.860 ( 5.853 3.978 -4.679) 8.485 16.250 ( 22.576 -10.703 4.161) 25.329 17.188 ( -22.374 11.942 -0.140) 25.362 18.224 ( -7.777 0.012 -5.113) 9.308 19.041 ( 4.646 -1.133 -0.382) 4.798 19.324 ( 3.161 -7.957 3.379) 9.204 ======================= Grid point 482 (246/251) ======================= q-point: (-0.30 -0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -12.314 -0.000 6.829) 14.081 1.726 ( -3.642 -0.000 8.016) 8.805 2.139 ( -12.331 -0.000 3.146) 12.726 2.169 ( 4.222 0.000 2.607) 4.962 2.515 ( 1.133 0.000 -6.128) 6.232 2.981 ( 3.903 0.000 -6.247) 7.366 3.033 ( 0.280 0.000 7.428) 7.433 3.257 ( -8.245 -0.000 12.715) 15.154 3.667 ( 0.874 0.000 -16.175) 16.199 3.852 ( 3.168 0.000 -0.142) 3.171 4.463 ( -10.884 -0.000 1.969) 11.061 4.480 ( -7.011 -0.000 -20.685) 21.841 4.816 ( -5.233 -0.000 10.255) 11.513 5.040 ( 3.643 0.000 -5.978) 7.000 5.347 ( 3.349 0.000 6.558) 7.363 5.751 ( 4.849 0.000 14.726) 15.504 6.240 ( -5.155 -0.000 6.330) 8.163 6.922 ( 10.897 0.000 -2.853) 11.264 7.110 ( -4.643 -0.000 7.258) 8.616 7.352 ( 1.747 0.000 -10.190) 10.338 10.301 ( 6.874 0.000 -4.365) 8.143 10.438 ( 4.856 0.000 -0.882) 4.936 10.785 ( 3.095 0.000 -7.872) 8.459 11.100 ( 3.328 0.000 12.042) 12.493 12.146 ( 4.302 0.000 6.571) 7.854 12.329 ( 9.474 0.000 0.348) 9.480 14.035 ( -7.533 -0.000 5.150) 9.125 14.191 ( 0.822 0.000 -13.144) 13.170 14.875 ( 11.957 0.000 6.134) 13.439 14.958 ( 12.856 0.000 -1.566) 12.951 15.682 ( 5.997 0.000 19.754) 20.645 15.947 ( 11.533 0.000 -9.925) 15.216 17.892 ( -11.490 -0.000 1.989) 11.661 18.114 ( -9.695 -0.000 -2.234) 9.949 18.862 ( 4.740 0.000 -4.384) 6.456 19.003 ( 3.828 0.000 4.785) 6.128 ======================= Grid point 483 (247/251) ======================= q-point: (-0.20 -0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -9.784 1.837 7.379) 12.392 1.775 ( -4.125 -3.551 6.535) 8.504 2.044 ( -14.035 -0.596 4.909) 14.881 2.111 ( -0.008 6.680 0.768) 6.724 2.537 ( 4.890 0.236 -6.948) 8.499 2.897 ( -0.435 13.018 10.316) 16.616 2.959 ( 3.904 3.887 -5.855) 8.039 3.298 ( -5.894 -5.703 -2.704) 8.636 3.700 ( 2.084 -6.842 -4.194) 8.291 3.870 ( -1.821 -1.182 2.100) 3.021 4.373 ( -11.066 -3.403 -2.536) 11.852 4.469 ( -3.346 -4.309 -13.823) 14.861 4.736 ( -6.871 3.190 0.838) 7.622 5.085 ( -0.475 -3.241 -5.691) 6.567 5.412 ( 8.935 1.501 15.980) 18.370 5.815 ( 5.192 1.237 13.589) 14.600 6.294 ( -4.254 -6.368 4.354) 8.809 6.974 ( 5.467 0.815 -0.902) 5.600 7.098 ( -2.150 0.671 0.718) 2.364 7.373 ( 1.777 -4.151 -8.558) 9.676 10.357 ( 4.856 -1.302 0.079) 5.028 10.542 ( 2.340 -7.530 -5.966) 9.888 10.809 ( 8.920 0.761 -5.521) 10.518 11.153 ( 0.553 -0.081 10.818) 10.832 12.211 ( 5.293 -0.896 6.466) 8.404 12.413 ( 8.649 -0.651 1.217) 8.758 13.918 ( -8.222 6.477 5.656) 11.897 14.120 ( 1.062 3.945 -13.207) 13.825 14.907 ( 12.477 6.566 4.255) 14.727 15.086 ( 9.811 -1.180 4.311) 10.781 15.867 ( 13.461 -5.225 11.508) 18.464 16.014 ( 14.382 0.884 -4.029) 14.962 17.643 ( -17.171 11.417 0.621) 20.629 18.116 ( -12.172 -6.644 -3.029) 14.194 18.940 ( 7.425 -3.750 -2.890) 8.806 19.069 ( 2.981 -2.847 4.776) 6.309 ======================= Grid point 484 (248/251) ======================= q-point: (-0.10 -0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -7.249 -0.263 5.965) 9.391 1.774 ( -7.591 1.595 9.438) 12.217 1.907 ( 2.202 9.794 -1.580) 10.162 2.056 ( -13.593 -6.875 0.523) 15.242 2.502 ( 3.152 4.580 -5.254) 7.650 2.619 ( -3.562 13.640 -0.084) 14.098 2.952 ( 11.951 2.512 1.172) 12.268 3.380 ( 0.359 -6.307 -6.690) 9.201 3.839 ( -10.601 -7.357 5.568) 14.053 3.930 ( 5.903 -4.652 1.321) 7.631 4.405 ( -3.467 0.753 -8.698) 9.394 4.426 ( -7.026 -4.963 3.204) 9.179 4.668 ( -5.823 -3.407 -8.036) 10.493 5.084 ( -2.894 0.802 -1.429) 3.326 5.536 ( 8.862 -2.394 14.013) 16.752 5.876 ( 6.535 1.275 12.635) 14.282 6.356 ( -5.038 -1.887 0.547) 5.407 7.011 ( 0.198 3.868 -10.127) 10.843 7.044 ( 1.549 -3.857 1.728) 4.502 7.465 ( -0.077 -5.291 -4.161) 6.732 10.424 ( 0.602 -2.784 3.433) 4.461 10.675 ( 0.139 -6.625 -9.294) 11.414 10.865 ( 10.727 0.704 -3.865) 11.424 11.159 ( -3.056 1.306 8.182) 8.831 12.307 ( 7.141 -2.161 4.889) 8.920 12.496 ( 6.527 -1.016 1.783) 6.842 13.713 ( -7.132 9.729 8.356) 14.675 13.995 ( 1.732 6.294 -12.186) 13.825 14.895 ( 11.628 5.774 5.333) 14.035 15.171 ( 3.568 -0.617 7.835) 8.631 15.982 ( 11.067 3.347 -6.297) 13.165 16.274 ( 24.600 -8.506 8.922) 27.515 17.246 ( -21.464 12.848 0.008) 25.016 18.091 ( -14.065 -3.162 -4.949) 15.242 19.062 ( 7.245 -2.220 -0.922) 7.634 19.202 ( 2.200 -7.443 3.693) 8.595 ======================= Grid point 493 (249/251) ======================= q-point: (-0.20 -0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -11.176 -0.000 8.061) 13.780 1.741 ( -0.288 -0.000 8.268) 8.273 1.893 ( -16.951 -0.000 2.542) 17.141 2.219 ( 0.208 0.000 1.615) 1.628 2.575 ( 9.031 0.000 -7.187) 11.542 3.001 ( 3.853 0.000 -9.359) 10.121 3.121 ( 4.624 0.000 8.453) 9.635 3.166 ( -11.189 -0.000 13.089) 17.219 3.566 ( -1.802 -0.000 -16.936) 17.032 3.826 ( -9.143 -0.000 6.116) 11.000 4.286 ( -10.792 -0.000 0.997) 10.838 4.290 ( -2.406 -0.000 -18.189) 18.347 4.735 ( -3.584 -0.000 -3.402) 4.941 5.036 ( -0.141 -0.000 -5.726) 5.727 5.579 ( 12.275 0.000 21.435) 24.701 5.901 ( 3.791 0.000 13.194) 13.728 6.209 ( -3.257 -0.000 5.740) 6.600 7.037 ( 4.728 0.000 -4.988) 6.873 7.086 ( -3.211 -0.000 7.344) 8.015 7.305 ( 1.518 0.000 -13.579) 13.664 10.410 ( 8.775 0.000 -3.857) 9.585 10.458 ( -0.347 -0.000 -0.684) 0.767 10.893 ( 12.752 0.000 -4.905) 13.663 11.181 ( -1.763 -0.000 11.339) 11.476 12.263 ( 5.490 0.000 6.124) 8.224 12.477 ( 7.261 0.000 1.366) 7.389 13.920 ( -10.076 -0.000 6.771) 12.139 14.122 ( 0.919 0.000 -15.508) 15.536 15.099 ( 8.691 0.000 8.199) 11.948 15.167 ( 13.597 0.000 -3.349) 14.003 15.989 ( 19.979 0.000 15.960) 25.571 16.138 ( 17.610 0.000 -5.136) 18.344 17.688 ( -15.468 -0.000 2.725) 15.706 17.851 ( -19.994 -0.000 -4.064) 20.403 18.955 ( 8.110 0.000 -2.286) 8.426 19.078 ( 2.219 0.000 4.110) 4.670 ======================= Grid point 494 (250/251) ======================= q-point: (-0.10 -0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -7.899 -0.119 8.152) 11.352 1.760 ( -7.402 0.331 11.697) 13.846 1.826 ( -8.136 -5.161 -1.671) 9.778 2.119 ( -0.938 9.159 0.524) 9.222 2.596 ( 7.196 3.608 -8.175) 11.473 2.880 ( -7.819 15.501 6.463) 18.525 3.047 ( 9.330 -2.036 -3.625) 10.214 3.262 ( 3.080 -4.766 0.049) 5.675 3.617 ( -7.667 -8.510 -1.621) 11.568 3.803 ( -10.436 -5.489 2.330) 12.019 4.232 ( -5.903 -5.087 0.895) 7.843 4.348 ( -1.139 -7.467 -13.781) 15.715 4.646 ( -0.886 5.592 -3.780) 6.807 5.020 ( -4.024 -0.998 -5.032) 6.520 5.701 ( 11.805 3.657 21.353) 24.672 5.973 ( 5.528 -0.297 12.446) 13.621 6.254 ( -3.136 -4.552 2.235) 5.962 7.025 ( -0.884 1.176 -9.483) 9.596 7.050 ( -0.735 2.034 4.405) 4.908 7.347 ( 1.078 -5.117 -8.392) 9.888 10.425 ( 2.177 0.572 2.107) 3.083 10.546 ( 3.549 -5.389 -5.855) 8.714 10.975 ( 13.281 1.374 -4.696) 14.153 11.177 ( -4.933 1.044 10.300) 11.468 12.341 ( 6.590 -1.569 4.916) 8.370 12.535 ( 4.819 -0.457 1.329) 5.020 13.812 ( -9.601 4.806 9.147) 14.105 14.056 ( 1.421 3.118 -15.189) 15.571 15.128 ( 9.886 5.171 4.336) 11.970 15.235 ( 6.221 1.840 3.270) 7.265 16.157 ( 19.074 4.334 -0.928) 19.582 16.370 ( 26.460 -6.410 8.276) 28.455 17.331 ( -21.628 14.201 0.498) 25.878 17.834 ( -19.590 -8.574 -3.503) 21.669 19.057 ( 7.902 -3.803 -1.942) 8.982 19.127 ( 0.918 -2.740 4.078) 4.998 ======================= Grid point 504 (251/251) ======================= q-point: (-0.10 -0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -7.533 -0.000 9.723) 12.300 1.663 ( -11.810 -0.000 1.376) 11.890 1.807 ( 2.419 0.000 8.395) 8.736 2.191 ( -3.796 -0.000 -1.011) 3.928 2.708 ( 11.586 0.000 -5.644) 12.887 2.946 ( -9.836 -0.000 3.557) 10.459 3.117 ( 2.870 0.000 -1.700) 3.335 3.235 ( -0.555 -0.000 9.011) 9.028 3.454 ( 3.608 0.000 -16.547) 16.936 3.646 ( -16.067 -0.000 7.851) 17.882 4.125 ( -11.394 -0.000 5.061) 12.467 4.205 ( 3.501 0.000 -15.595) 15.983 4.719 ( 3.979 0.000 -3.548) 5.331 4.971 ( -4.021 -0.000 -5.027) 6.437 5.927 ( 13.953 0.000 23.755) 27.550 6.022 ( 3.467 0.000 9.284) 9.910 6.192 ( -2.290 -0.000 3.998) 4.608 6.980 ( -5.192 -0.000 -13.430) 14.398 7.086 ( -2.366 -0.000 8.008) 8.350 7.280 ( 3.708 0.000 -10.856) 11.472 10.456 ( -0.328 -0.000 2.349) 2.372 10.519 ( 6.716 0.000 -4.335) 7.994 11.089 ( 14.017 0.000 -5.385) 15.016 11.169 ( -7.276 -0.000 11.054) 13.234 12.388 ( 6.104 0.000 4.329) 7.483 12.560 ( 2.304 0.000 -0.155) 2.309 13.801 ( -10.181 -0.000 10.698) 14.768 14.057 ( 2.162 0.000 -15.446) 15.597 15.224 ( 0.814 0.000 9.482) 9.516 15.338 ( 10.323 0.000 -6.252) 12.068 16.464 ( 23.854 0.000 -0.092) 23.854 16.483 ( 30.406 0.000 8.673) 31.619 17.413 ( -19.960 -0.000 1.637) 20.027 17.439 ( -27.411 -0.000 -3.415) 27.623 19.073 ( 7.260 0.000 -1.907) 7.506 19.116 ( -0.335 -0.000 3.459) 3.475 =================== 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 3/32400 10.0 404.773 479.632 339.360 -0.000 -157.697 0.000 3/32400 20.0 99.498 103.220 88.986 -0.000 -38.641 0.000 3/32400 30.0 47.708 45.248 39.798 -0.000 -16.723 0.000 3/32400 40.0 30.373 27.156 24.279 -0.000 -9.837 0.000 3/32400 50.0 22.198 19.088 17.392 -0.000 -6.744 0.000 3/32400 60.0 17.509 14.675 13.624 -0.000 -5.042 0.000 3/32400 70.0 14.473 11.926 11.260 -0.000 -3.985 0.000 3/32400 80.0 12.343 10.055 9.630 -0.000 -3.275 0.000 3/32400 90.0 10.762 8.697 8.431 -0.000 -2.770 0.000 3/32400 100.0 9.541 7.667 7.508 -0.000 -2.395 0.000 3/32400 110.0 8.569 6.857 6.773 -0.000 -2.108 0.000 3/32400 120.0 7.777 6.204 6.174 -0.000 -1.882 0.000 3/32400 130.0 7.121 5.666 5.674 -0.000 -1.699 0.000 3/32400 140.0 6.568 5.215 5.252 -0.000 -1.549 0.000 3/32400 150.0 6.096 4.832 4.889 -0.000 -1.423 0.000 3/32400 160.0 5.689 4.502 4.575 -0.000 -1.317 0.000 3/32400 170.0 5.335 4.216 4.299 -0.000 -1.225 0.000 3/32400 180.0 5.023 3.964 4.056 -0.000 -1.145 0.000 3/32400 190.0 4.747 3.741 3.839 -0.000 -1.076 0.000 3/32400 200.0 4.501 3.543 3.645 -0.000 -1.014 0.000 3/32400 210.0 4.280 3.365 3.470 -0.000 -0.959 0.000 3/32400 220.0 4.081 3.204 3.311 -0.000 -0.910 0.000 3/32400 230.0 3.900 3.058 3.166 -0.000 -0.866 0.000 3/32400 240.0 3.734 2.926 3.034 -0.000 -0.826 0.000 3/32400 250.0 3.583 2.804 2.912 -0.000 -0.790 0.000 3/32400 260.0 3.444 2.693 2.800 -0.000 -0.756 0.000 3/32400 270.0 3.315 2.590 2.697 -0.000 -0.726 0.000 3/32400 280.0 3.197 2.495 2.601 -0.000 -0.698 0.000 3/32400 290.0 3.086 2.406 2.511 -0.000 -0.672 0.000 3/32400 300.0 2.983 2.324 2.428 -0.000 -0.648 0.000 3/32400 310.0 2.887 2.247 2.350 -0.000 -0.625 0.000 3/32400 320.0 2.797 2.176 2.277 -0.000 -0.604 0.000 3/32400 330.0 2.712 2.108 2.208 -0.000 -0.585 0.000 3/32400 340.0 2.633 2.045 2.143 -0.000 -0.567 0.000 3/32400 350.0 2.558 1.986 2.082 -0.000 -0.550 0.000 3/32400 360.0 2.487 1.930 2.025 -0.000 -0.533 0.000 3/32400 370.0 2.420 1.877 1.970 -0.000 -0.518 0.000 3/32400 380.0 2.357 1.827 1.919 -0.000 -0.504 0.000 3/32400 390.0 2.297 1.779 1.870 -0.000 -0.490 0.000 3/32400 400.0 2.240 1.734 1.823 -0.000 -0.478 0.000 3/32400 410.0 2.186 1.692 1.779 -0.000 -0.465 0.000 3/32400 420.0 2.134 1.651 1.737 -0.000 -0.454 0.000 3/32400 430.0 2.085 1.612 1.697 -0.000 -0.443 0.000 3/32400 440.0 2.038 1.575 1.658 -0.000 -0.432 0.000 3/32400 450.0 1.993 1.540 1.622 -0.000 -0.422 0.000 3/32400 460.0 1.950 1.506 1.587 -0.000 -0.413 0.000 3/32400 470.0 1.909 1.474 1.553 -0.000 -0.404 0.000 3/32400 480.0 1.869 1.443 1.521 -0.000 -0.395 0.000 3/32400 490.0 1.832 1.413 1.490 -0.000 -0.387 0.000 3/32400 500.0 1.795 1.385 1.460 -0.000 -0.379 0.000 3/32400 510.0 1.760 1.357 1.432 -0.000 -0.371 0.000 3/32400 520.0 1.727 1.331 1.404 -0.000 -0.364 0.000 3/32400 530.0 1.694 1.306 1.378 -0.000 -0.357 0.000 3/32400 540.0 1.663 1.282 1.353 -0.000 -0.350 0.000 3/32400 550.0 1.633 1.258 1.328 -0.000 -0.343 0.000 3/32400 560.0 1.604 1.236 1.304 -0.000 -0.337 0.000 3/32400 570.0 1.576 1.214 1.282 -0.000 -0.331 0.000 3/32400 580.0 1.549 1.193 1.260 -0.000 -0.325 0.000 3/32400 590.0 1.523 1.172 1.238 -0.000 -0.320 0.000 3/32400 600.0 1.498 1.153 1.218 -0.000 -0.314 0.000 3/32400 610.0 1.474 1.134 1.198 -0.000 -0.309 0.000 3/32400 620.0 1.450 1.116 1.179 -0.000 -0.304 0.000 3/32400 630.0 1.427 1.098 1.160 -0.000 -0.299 0.000 3/32400 640.0 1.405 1.081 1.142 -0.000 -0.294 0.000 3/32400 650.0 1.383 1.064 1.125 -0.000 -0.290 0.000 3/32400 660.0 1.363 1.048 1.108 -0.000 -0.285 0.000 3/32400 670.0 1.342 1.032 1.091 -0.000 -0.281 0.000 3/32400 680.0 1.323 1.017 1.075 -0.000 -0.277 0.000 3/32400 690.0 1.304 1.002 1.060 -0.000 -0.272 0.000 3/32400 700.0 1.285 0.988 1.044 -0.000 -0.269 0.000 3/32400 710.0 1.267 0.974 1.030 -0.000 -0.265 0.000 3/32400 720.0 1.250 0.960 1.016 -0.000 -0.261 0.000 3/32400 730.0 1.233 0.947 1.002 -0.000 -0.257 0.000 3/32400 740.0 1.216 0.934 0.988 -0.000 -0.254 0.000 3/32400 750.0 1.200 0.922 0.975 -0.000 -0.250 0.000 3/32400 760.0 1.184 0.909 0.962 -0.000 -0.247 0.000 3/32400 770.0 1.169 0.898 0.950 -0.000 -0.244 0.000 3/32400 780.0 1.154 0.886 0.938 -0.000 -0.241 0.000 3/32400 790.0 1.140 0.875 0.926 -0.000 -0.238 0.000 3/32400 800.0 1.125 0.864 0.914 -0.000 -0.235 0.000 3/32400 810.0 1.111 0.853 0.903 -0.000 -0.232 0.000 3/32400 820.0 1.098 0.843 0.892 -0.000 -0.229 0.000 3/32400 830.0 1.085 0.833 0.881 -0.000 -0.226 0.000 3/32400 840.0 1.072 0.823 0.871 -0.000 -0.223 0.000 3/32400 850.0 1.059 0.813 0.861 -0.000 -0.221 0.000 3/32400 860.0 1.047 0.804 0.851 -0.000 -0.218 0.000 3/32400 870.0 1.035 0.794 0.841 -0.000 -0.215 0.000 3/32400 880.0 1.023 0.785 0.831 -0.000 -0.213 0.000 3/32400 890.0 1.012 0.776 0.822 -0.000 -0.211 0.000 3/32400 900.0 1.001 0.768 0.813 -0.000 -0.208 0.000 3/32400 910.0 0.990 0.759 0.804 -0.000 -0.206 0.000 3/32400 920.0 0.979 0.751 0.795 -0.000 -0.204 0.000 3/32400 930.0 0.969 0.743 0.787 -0.000 -0.201 0.000 3/32400 940.0 0.958 0.735 0.778 -0.000 -0.199 0.000 3/32400 950.0 0.948 0.727 0.770 -0.000 -0.197 0.000 3/32400 960.0 0.938 0.720 0.762 -0.000 -0.195 0.000 3/32400 970.0 0.929 0.712 0.754 -0.000 -0.193 0.000 3/32400 980.0 0.919 0.705 0.747 -0.000 -0.191 0.000 3/32400 990.0 0.910 0.698 0.739 -0.000 -0.189 0.000 3/32400 1000.0 0.901 0.691 0.732 -0.000 -0.187 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m10109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:55:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|