----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:36:19]------------------------- 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: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.254400035364100 1.301578467278562 6.773224656666660 b -2.254400035364096 1.301578467278562 6.773224656666660 c 0.000000000000002 -2.603156934557128 6.773224656666660 Atomic positions (fractional): *1 H 0.32175236651767 0.32175236651767 0.32175236651767 1.008 2 H 0.67824763348233 0.67824763348233 0.67824763348234 1.008 *3 H 0.53716577337002 0.09207668217200 0.09207668217200 1.008 4 H 0.09207668217200 0.09207668217200 0.53716577337002 1.008 5 H 0.09207668217200 0.53716577337002 0.09207668217200 1.008 6 H 0.90792331782800 0.90792331782800 0.46283422662998 1.008 7 H 0.90792331782800 0.46283422662998 0.90792331782800 1.008 8 H 0.46283422662998 0.90792331782800 0.90792331782800 1.008 *9 B 0.26131348771087 0.26131348771087 0.26131348771087 10.811 10 B 0.73868651228913 0.73868651228913 0.73868651228913 10.811 *11 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 *12 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.508800070728196 0.000000000000000 0.000000000000000 b -2.254400035364098 3.904735401835691 0.000000000000000 c 0.000000000000000 0.000000000000000 20.319673970000000 Atomic positions (fractional): *1 H 0.00000000000000 0.00000000000000 0.32175236651767 1.008 > 1 2 H 0.66666666666667 0.33333333333333 0.01158096681567 1.008 > 2 *3 H 0.29672606079868 0.14836303039934 0.24043971257134 1.008 > 3 4 H 0.85163696960066 0.70327393920132 0.24043971257134 1.008 > 4 5 H 0.85163696960066 0.14836303039934 0.24043971257134 1.008 > 5 6 H 0.81502969706601 0.63005939413201 0.09289362076199 1.008 > 6 7 H 0.81502969706601 0.18497030293399 0.09289362076199 1.008 > 7 8 H 0.36994060586799 0.18497030293399 0.09289362076199 1.008 > 8 9 H 0.66666666666667 0.33333333333333 0.65508569985100 1.008 > 1 10 H 0.33333333333333 0.66666666666667 0.34491430014900 1.008 > 2 11 H 0.96339272746534 0.48169636373267 0.57377304590468 1.008 > 3 12 H 0.51830363626733 0.03660727253465 0.57377304590468 1.008 > 4 13 H 0.51830363626733 0.48169636373267 0.57377304590468 1.008 > 5 14 H 0.48169636373267 0.96339272746534 0.42622695409533 1.008 > 6 15 H 0.48169636373267 0.51830363626733 0.42622695409533 1.008 > 7 16 H 0.03660727253465 0.51830363626733 0.42622695409533 1.008 > 8 17 H 0.33333333333333 0.66666666666667 0.98841903318433 1.008 > 1 18 H 0.00000000000000 0.00000000000000 0.67824763348233 1.008 > 2 19 H 0.63005939413201 0.81502969706601 0.90710637923801 1.008 > 3 20 H 0.18497030293399 0.36994060586799 0.90710637923801 1.008 > 4 21 H 0.18497030293399 0.81502969706601 0.90710637923801 1.008 > 5 22 H 0.14836303039934 0.29672606079868 0.75956028742866 1.008 > 6 23 H 0.14836303039934 0.85163696960066 0.75956028742866 1.008 > 7 24 H 0.70327393920132 0.85163696960066 0.75956028742866 1.008 > 8 *25 B 0.00000000000000 0.00000000000000 0.26131348771087 10.811 > 9 26 B 0.66666666666667 0.33333333333333 0.07201984562246 10.811 > 10 27 B 0.66666666666667 0.33333333333333 0.59464682104421 10.811 > 9 28 B 0.33333333333333 0.66666666666667 0.40535317895579 10.811 > 10 29 B 0.33333333333333 0.66666666666667 0.92798015437754 10.811 > 9 30 B 0.00000000000000 0.00000000000000 0.73868651228913 10.811 > 10 *31 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 11 32 Na 0.66666666666667 0.33333333333333 0.33333333333333 22.990 > 11 33 Na 0.33333333333333 0.66666666666667 0.66666666666667 22.990 > 11 *34 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 12 35 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 12 36 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.017600141456391 0.000000000000000 0.000000000000000 b -4.508800070728196 7.809470803671382 0.000000000000000 c 0.000000000000000 0.000000000000000 20.319673970000000 Atomic positions (fractional): *1 H 0.00000000000000 0.00000000000000 0.32175236651767 1.008 > 1 2 H 0.50000000000000 0.00000000000000 0.32175236651767 1.008 > 1 3 H 0.00000000000000 0.50000000000000 0.32175236651767 1.008 > 1 4 H 0.50000000000000 0.50000000000000 0.32175236651767 1.008 > 1 5 H 0.33333333333333 0.16666666666667 0.01158096681567 1.008 > 2 6 H 0.83333333333333 0.16666666666667 0.01158096681567 1.008 > 2 7 H 0.33333333333333 0.66666666666667 0.01158096681567 1.008 > 2 8 H 0.83333333333333 0.66666666666667 0.01158096681567 1.008 > 2 *9 H 0.14836303039934 0.07418151519967 0.24043971257134 1.008 > 3 10 H 0.64836303039934 0.07418151519967 0.24043971257134 1.008 > 3 11 H 0.14836303039934 0.57418151519967 0.24043971257134 1.008 > 3 12 H 0.64836303039934 0.57418151519967 0.24043971257134 1.008 > 3 13 H 0.42581848480033 0.35163696960066 0.24043971257134 1.008 > 4 14 H 0.92581848480033 0.35163696960066 0.24043971257134 1.008 > 4 15 H 0.42581848480033 0.85163696960066 0.24043971257134 1.008 > 4 16 H 0.92581848480033 0.85163696960066 0.24043971257134 1.008 > 4 17 H 0.42581848480033 0.07418151519967 0.24043971257134 1.008 > 5 18 H 0.92581848480033 0.07418151519967 0.24043971257134 1.008 > 5 19 H 0.42581848480033 0.57418151519967 0.24043971257134 1.008 > 5 20 H 0.92581848480033 0.57418151519967 0.24043971257134 1.008 > 5 21 H 0.40751484853300 0.31502969706601 0.09289362076199 1.008 > 6 22 H 0.90751484853300 0.31502969706601 0.09289362076199 1.008 > 6 23 H 0.40751484853300 0.81502969706601 0.09289362076199 1.008 > 6 24 H 0.90751484853300 0.81502969706601 0.09289362076199 1.008 > 6 25 H 0.40751484853300 0.09248515146700 0.09289362076199 1.008 > 7 26 H 0.90751484853300 0.09248515146700 0.09289362076199 1.008 > 7 27 H 0.40751484853300 0.59248515146700 0.09289362076199 1.008 > 7 28 H 0.90751484853300 0.59248515146700 0.09289362076199 1.008 > 7 29 H 0.18497030293399 0.09248515146700 0.09289362076199 1.008 > 8 30 H 0.68497030293399 0.09248515146700 0.09289362076199 1.008 > 8 31 H 0.18497030293399 0.59248515146700 0.09289362076199 1.008 > 8 32 H 0.68497030293399 0.59248515146700 0.09289362076199 1.008 > 8 33 H 0.33333333333333 0.16666666666667 0.65508569985100 1.008 > 1 34 H 0.83333333333333 0.16666666666667 0.65508569985100 1.008 > 1 35 H 0.33333333333333 0.66666666666667 0.65508569985100 1.008 > 1 36 H 0.83333333333333 0.66666666666667 0.65508569985100 1.008 > 1 37 H 0.16666666666667 0.33333333333333 0.34491430014900 1.008 > 2 38 H 0.66666666666667 0.33333333333333 0.34491430014900 1.008 > 2 39 H 0.16666666666667 0.83333333333333 0.34491430014900 1.008 > 2 40 H 0.66666666666667 0.83333333333333 0.34491430014900 1.008 > 2 41 H 0.48169636373267 0.24084818186634 0.57377304590468 1.008 > 3 42 H 0.98169636373267 0.24084818186634 0.57377304590468 1.008 > 3 43 H 0.48169636373267 0.74084818186634 0.57377304590468 1.008 > 3 44 H 0.98169636373267 0.74084818186634 0.57377304590468 1.008 > 3 45 H 0.25915181813366 0.01830363626733 0.57377304590468 1.008 > 4 46 H 0.75915181813366 0.01830363626733 0.57377304590468 1.008 > 4 47 H 0.25915181813366 0.51830363626733 0.57377304590468 1.008 > 4 48 H 0.75915181813366 0.51830363626733 0.57377304590468 1.008 > 4 49 H 0.25915181813366 0.24084818186634 0.57377304590468 1.008 > 5 50 H 0.75915181813366 0.24084818186634 0.57377304590468 1.008 > 5 51 H 0.25915181813366 0.74084818186634 0.57377304590468 1.008 > 5 52 H 0.75915181813366 0.74084818186634 0.57377304590468 1.008 > 5 53 H 0.24084818186634 0.48169636373267 0.42622695409533 1.008 > 6 54 H 0.74084818186634 0.48169636373267 0.42622695409533 1.008 > 6 55 H 0.24084818186634 0.98169636373267 0.42622695409533 1.008 > 6 56 H 0.74084818186634 0.98169636373267 0.42622695409533 1.008 > 6 57 H 0.24084818186634 0.25915181813366 0.42622695409533 1.008 > 7 58 H 0.74084818186634 0.25915181813366 0.42622695409533 1.008 > 7 59 H 0.24084818186634 0.75915181813366 0.42622695409533 1.008 > 7 60 H 0.74084818186634 0.75915181813366 0.42622695409533 1.008 > 7 61 H 0.01830363626733 0.25915181813366 0.42622695409533 1.008 > 8 62 H 0.51830363626733 0.25915181813366 0.42622695409533 1.008 > 8 63 H 0.01830363626733 0.75915181813366 0.42622695409533 1.008 > 8 64 H 0.51830363626733 0.75915181813366 0.42622695409533 1.008 > 8 65 H 0.16666666666667 0.33333333333333 0.98841903318433 1.008 > 1 66 H 0.66666666666667 0.33333333333333 0.98841903318433 1.008 > 1 67 H 0.16666666666667 0.83333333333333 0.98841903318433 1.008 > 1 68 H 0.66666666666667 0.83333333333333 0.98841903318433 1.008 > 1 69 H 0.00000000000000 0.00000000000000 0.67824763348233 1.008 > 2 70 H 0.50000000000000 0.00000000000000 0.67824763348233 1.008 > 2 71 H 0.00000000000000 0.50000000000000 0.67824763348233 1.008 > 2 72 H 0.50000000000000 0.50000000000000 0.67824763348233 1.008 > 2 73 H 0.31502969706601 0.40751484853300 0.90710637923801 1.008 > 3 74 H 0.81502969706601 0.40751484853300 0.90710637923801 1.008 > 3 75 H 0.31502969706601 0.90751484853300 0.90710637923801 1.008 > 3 76 H 0.81502969706601 0.90751484853300 0.90710637923801 1.008 > 3 77 H 0.09248515146700 0.18497030293399 0.90710637923801 1.008 > 4 78 H 0.59248515146700 0.18497030293399 0.90710637923801 1.008 > 4 79 H 0.09248515146700 0.68497030293399 0.90710637923801 1.008 > 4 80 H 0.59248515146700 0.68497030293399 0.90710637923801 1.008 > 4 81 H 0.09248515146700 0.40751484853300 0.90710637923801 1.008 > 5 82 H 0.59248515146700 0.40751484853300 0.90710637923801 1.008 > 5 83 H 0.09248515146700 0.90751484853300 0.90710637923801 1.008 > 5 84 H 0.59248515146700 0.90751484853300 0.90710637923801 1.008 > 5 85 H 0.07418151519967 0.14836303039934 0.75956028742866 1.008 > 6 86 H 0.57418151519967 0.14836303039934 0.75956028742866 1.008 > 6 87 H 0.07418151519967 0.64836303039934 0.75956028742866 1.008 > 6 88 H 0.57418151519967 0.64836303039934 0.75956028742866 1.008 > 6 89 H 0.07418151519967 0.42581848480033 0.75956028742866 1.008 > 7 90 H 0.57418151519967 0.42581848480033 0.75956028742866 1.008 > 7 91 H 0.07418151519967 0.92581848480033 0.75956028742866 1.008 > 7 92 H 0.57418151519967 0.92581848480033 0.75956028742866 1.008 > 7 93 H 0.35163696960066 0.42581848480033 0.75956028742866 1.008 > 8 94 H 0.85163696960066 0.42581848480033 0.75956028742866 1.008 > 8 95 H 0.35163696960066 0.92581848480033 0.75956028742866 1.008 > 8 96 H 0.85163696960066 0.92581848480033 0.75956028742866 1.008 > 8 *97 B 0.00000000000000 0.00000000000000 0.26131348771087 10.811 > 9 98 B 0.50000000000000 0.00000000000000 0.26131348771087 10.811 > 9 99 B 0.00000000000000 0.50000000000000 0.26131348771087 10.811 > 9 100 B 0.50000000000000 0.50000000000000 0.26131348771087 10.811 > 9 101 B 0.33333333333333 0.16666666666667 0.07201984562246 10.811 > 10 102 B 0.83333333333333 0.16666666666667 0.07201984562246 10.811 > 10 103 B 0.33333333333333 0.66666666666667 0.07201984562246 10.811 > 10 104 B 0.83333333333333 0.66666666666667 0.07201984562246 10.811 > 10 105 B 0.33333333333333 0.16666666666667 0.59464682104421 10.811 > 9 106 B 0.83333333333333 0.16666666666667 0.59464682104421 10.811 > 9 107 B 0.33333333333333 0.66666666666667 0.59464682104421 10.811 > 9 108 B 0.83333333333333 0.66666666666667 0.59464682104421 10.811 > 9 109 B 0.16666666666667 0.33333333333333 0.40535317895579 10.811 > 10 110 B 0.66666666666667 0.33333333333333 0.40535317895579 10.811 > 10 111 B 0.16666666666667 0.83333333333333 0.40535317895579 10.811 > 10 112 B 0.66666666666667 0.83333333333333 0.40535317895579 10.811 > 10 113 B 0.16666666666667 0.33333333333333 0.92798015437754 10.811 > 9 114 B 0.66666666666667 0.33333333333333 0.92798015437754 10.811 > 9 115 B 0.16666666666667 0.83333333333333 0.92798015437754 10.811 > 9 116 B 0.66666666666667 0.83333333333333 0.92798015437754 10.811 > 9 117 B 0.00000000000000 0.00000000000000 0.73868651228913 10.811 > 10 118 B 0.50000000000000 0.00000000000000 0.73868651228913 10.811 > 10 119 B 0.00000000000000 0.50000000000000 0.73868651228913 10.811 > 10 120 B 0.50000000000000 0.50000000000000 0.73868651228913 10.811 > 10 *121 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 11 122 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 11 123 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 11 124 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 11 125 Na 0.33333333333333 0.16666666666667 0.33333333333333 22.990 > 11 126 Na 0.83333333333333 0.16666666666667 0.33333333333333 22.990 > 11 127 Na 0.33333333333333 0.66666666666667 0.33333333333333 22.990 > 11 128 Na 0.83333333333333 0.66666666666667 0.33333333333333 22.990 > 11 129 Na 0.16666666666667 0.33333333333333 0.66666666666667 22.990 > 11 130 Na 0.66666666666667 0.33333333333333 0.66666666666667 22.990 > 11 131 Na 0.16666666666667 0.83333333333333 0.66666666666667 22.990 > 11 132 Na 0.66666666666667 0.83333333333333 0.66666666666667 22.990 > 11 *133 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 12 134 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 12 135 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 12 136 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 12 137 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 12 138 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 12 139 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 12 140 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 12 141 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 12 142 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 12 143 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 12 144 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6067423 -0.0000000 0.0000000 0.0000000 2.6067423 0.0000000 0.0000000 0.0000000 2.5386345 -------------------------- Born effective charges -------------------------- 1 H -0.1619308 0.0000000 0.0000000 0.0000000 -0.1619308 0.0000000 0.0000000 -0.0000000 -0.5158450 2 H -0.1619308 0.0000000 0.0000000 0.0000000 -0.1619308 0.0000000 0.0000000 -0.0000000 -0.5158450 3 H -0.4752700 -0.1647070 0.1281881 -0.1647070 -0.2850827 0.0740094 0.1208592 0.0697781 -0.2248598 4 H -0.1899891 0.0000000 0.0000000 0.0000000 -0.5703636 -0.1480189 0.0000000 -0.1395562 -0.2248598 5 H -0.4752700 0.1647070 -0.1281881 0.1647070 -0.2850827 0.0740094 -0.1208592 0.0697781 -0.2248598 6 H -0.1899891 0.0000000 0.0000000 0.0000000 -0.5703636 -0.1480189 0.0000000 -0.1395562 -0.2248598 7 H -0.4752700 0.1647070 -0.1281881 0.1647070 -0.2850827 0.0740094 -0.1208592 0.0697781 -0.2248598 8 H -0.4752700 -0.1647070 0.1281881 -0.1647070 -0.2850827 0.0740094 0.1208592 0.0697781 -0.2248598 9 B 0.1691121 -0.0000000 0.0000000 0.0000000 0.1691121 0.0000000 0.0000000 -0.0000000 0.0920155 10 B 0.1691121 -0.0000000 0.0000000 0.0000000 0.1691121 0.0000000 0.0000000 -0.0000000 0.0920155 11 Na 1.1546261 -0.0000000 0.0000000 0.0000000 1.1546261 0.0000000 0.0000000 -0.0000000 0.9237937 12 K 1.1120696 -0.0000000 0.0000000 0.0000000 1.1120696 0.0000000 0.0000000 -0.0000000 1.2730240 ---------------------------------------------------------------------------- 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: 10440/10440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 763 Number of blocks in projector: 516 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 338 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 153 Use standard eigh solver. Tree of FC basis block matrices: - (763, 750), data: False |-- (153, 148), data: True |-- (272, 270), data: True |-- (338, 332), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.028 Solver_block: 100 / 160 - Time: 0.638 Solver_block: 160 / 160 - Time: 0.437 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.110 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 10440/10440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 763 Number of blocks in projector: 516 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 338 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 153 Use standard eigh solver. Tree of FC basis block matrices: - (763, 750), data: False |-- (153, 148), data: True |-- (272, 270), data: True |-- (338, 332), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:36:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:36:31]------------------------- 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): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.254400035364100 1.301578467278562 6.773224656666660 b -2.254400035364096 1.301578467278562 6.773224656666660 c 0.000000000000002 -2.603156934557128 6.773224656666660 Atomic positions (fractional): 1 H 0.32175236651767 0.32175236651767 0.32175236651767 1.008 2 H 0.67824763348233 0.67824763348233 0.67824763348234 1.008 3 H 0.53716577337002 0.09207668217200 0.09207668217200 1.008 4 H 0.09207668217200 0.09207668217200 0.53716577337002 1.008 5 H 0.09207668217200 0.53716577337002 0.09207668217200 1.008 6 H 0.90792331782800 0.90792331782800 0.46283422662998 1.008 7 H 0.90792331782800 0.46283422662998 0.90792331782800 1.008 8 H 0.46283422662998 0.90792331782800 0.90792331782800 1.008 9 B 0.26131348771087 0.26131348771087 0.26131348771087 10.811 10 B 0.73868651228913 0.73868651228913 0.73868651228913 10.811 11 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 12 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.017600141456391 0.000000000000000 0.000000000000000 b -4.508800070728196 7.809470803671382 0.000000000000000 c 0.000000000000000 0.000000000000000 20.319673970000000 Atomic positions (fractional): 1 H 0.00000000000000 0.00000000000000 0.32175236651767 1.008 > 1 2 H 0.50000000000000 0.00000000000000 0.32175236651767 1.008 > 1 3 H 0.00000000000000 0.50000000000000 0.32175236651767 1.008 > 1 4 H 0.50000000000000 0.50000000000000 0.32175236651767 1.008 > 1 5 H 0.33333333333333 0.16666666666667 0.01158096681567 1.008 > 5 6 H 0.83333333333333 0.16666666666667 0.01158096681567 1.008 > 5 7 H 0.33333333333333 0.66666666666667 0.01158096681567 1.008 > 5 8 H 0.83333333333333 0.66666666666667 0.01158096681567 1.008 > 5 9 H 0.14836303039934 0.07418151519967 0.24043971257134 1.008 > 9 10 H 0.64836303039934 0.07418151519967 0.24043971257134 1.008 > 9 11 H 0.14836303039934 0.57418151519967 0.24043971257134 1.008 > 9 12 H 0.64836303039934 0.57418151519967 0.24043971257134 1.008 > 9 13 H 0.42581848480033 0.35163696960066 0.24043971257134 1.008 > 13 14 H 0.92581848480033 0.35163696960066 0.24043971257134 1.008 > 13 15 H 0.42581848480033 0.85163696960066 0.24043971257134 1.008 > 13 16 H 0.92581848480033 0.85163696960066 0.24043971257134 1.008 > 13 17 H 0.42581848480033 0.07418151519967 0.24043971257134 1.008 > 17 18 H 0.92581848480033 0.07418151519967 0.24043971257134 1.008 > 17 19 H 0.42581848480033 0.57418151519967 0.24043971257134 1.008 > 17 20 H 0.92581848480033 0.57418151519967 0.24043971257134 1.008 > 17 21 H 0.40751484853300 0.31502969706601 0.09289362076199 1.008 > 21 22 H 0.90751484853300 0.31502969706601 0.09289362076199 1.008 > 21 23 H 0.40751484853300 0.81502969706601 0.09289362076199 1.008 > 21 24 H 0.90751484853300 0.81502969706601 0.09289362076199 1.008 > 21 25 H 0.40751484853300 0.09248515146700 0.09289362076199 1.008 > 25 26 H 0.90751484853300 0.09248515146700 0.09289362076199 1.008 > 25 27 H 0.40751484853300 0.59248515146700 0.09289362076199 1.008 > 25 28 H 0.90751484853300 0.59248515146700 0.09289362076199 1.008 > 25 29 H 0.18497030293399 0.09248515146700 0.09289362076199 1.008 > 29 30 H 0.68497030293399 0.09248515146700 0.09289362076199 1.008 > 29 31 H 0.18497030293399 0.59248515146700 0.09289362076199 1.008 > 29 32 H 0.68497030293399 0.59248515146700 0.09289362076199 1.008 > 29 33 H 0.33333333333333 0.16666666666667 0.65508569985100 1.008 > 1 34 H 0.83333333333333 0.16666666666667 0.65508569985100 1.008 > 1 35 H 0.33333333333333 0.66666666666667 0.65508569985100 1.008 > 1 36 H 0.83333333333333 0.66666666666667 0.65508569985100 1.008 > 1 37 H 0.16666666666667 0.33333333333333 0.34491430014900 1.008 > 5 38 H 0.66666666666667 0.33333333333333 0.34491430014900 1.008 > 5 39 H 0.16666666666667 0.83333333333333 0.34491430014900 1.008 > 5 40 H 0.66666666666667 0.83333333333333 0.34491430014900 1.008 > 5 41 H 0.48169636373267 0.24084818186634 0.57377304590468 1.008 > 9 42 H 0.98169636373267 0.24084818186634 0.57377304590468 1.008 > 9 43 H 0.48169636373267 0.74084818186634 0.57377304590468 1.008 > 9 44 H 0.98169636373267 0.74084818186634 0.57377304590468 1.008 > 9 45 H 0.25915181813366 0.01830363626733 0.57377304590468 1.008 > 13 46 H 0.75915181813366 0.01830363626733 0.57377304590468 1.008 > 13 47 H 0.25915181813366 0.51830363626733 0.57377304590468 1.008 > 13 48 H 0.75915181813366 0.51830363626733 0.57377304590468 1.008 > 13 49 H 0.25915181813366 0.24084818186634 0.57377304590468 1.008 > 17 50 H 0.75915181813366 0.24084818186634 0.57377304590468 1.008 > 17 51 H 0.25915181813366 0.74084818186634 0.57377304590468 1.008 > 17 52 H 0.75915181813366 0.74084818186634 0.57377304590468 1.008 > 17 53 H 0.24084818186634 0.48169636373267 0.42622695409533 1.008 > 21 54 H 0.74084818186634 0.48169636373267 0.42622695409533 1.008 > 21 55 H 0.24084818186634 0.98169636373267 0.42622695409533 1.008 > 21 56 H 0.74084818186634 0.98169636373267 0.42622695409533 1.008 > 21 57 H 0.24084818186634 0.25915181813366 0.42622695409533 1.008 > 25 58 H 0.74084818186634 0.25915181813366 0.42622695409533 1.008 > 25 59 H 0.24084818186634 0.75915181813366 0.42622695409533 1.008 > 25 60 H 0.74084818186634 0.75915181813366 0.42622695409533 1.008 > 25 61 H 0.01830363626733 0.25915181813366 0.42622695409533 1.008 > 29 62 H 0.51830363626733 0.25915181813366 0.42622695409533 1.008 > 29 63 H 0.01830363626733 0.75915181813366 0.42622695409533 1.008 > 29 64 H 0.51830363626733 0.75915181813366 0.42622695409533 1.008 > 29 65 H 0.16666666666667 0.33333333333333 0.98841903318433 1.008 > 1 66 H 0.66666666666667 0.33333333333333 0.98841903318433 1.008 > 1 67 H 0.16666666666667 0.83333333333333 0.98841903318433 1.008 > 1 68 H 0.66666666666667 0.83333333333333 0.98841903318433 1.008 > 1 69 H 0.00000000000000 0.00000000000000 0.67824763348233 1.008 > 5 70 H 0.50000000000000 0.00000000000000 0.67824763348233 1.008 > 5 71 H 0.00000000000000 0.50000000000000 0.67824763348233 1.008 > 5 72 H 0.50000000000000 0.50000000000000 0.67824763348233 1.008 > 5 73 H 0.31502969706601 0.40751484853300 0.90710637923801 1.008 > 9 74 H 0.81502969706601 0.40751484853300 0.90710637923801 1.008 > 9 75 H 0.31502969706601 0.90751484853300 0.90710637923801 1.008 > 9 76 H 0.81502969706601 0.90751484853300 0.90710637923801 1.008 > 9 77 H 0.09248515146700 0.18497030293399 0.90710637923801 1.008 > 13 78 H 0.59248515146700 0.18497030293399 0.90710637923801 1.008 > 13 79 H 0.09248515146700 0.68497030293399 0.90710637923801 1.008 > 13 80 H 0.59248515146700 0.68497030293399 0.90710637923801 1.008 > 13 81 H 0.09248515146700 0.40751484853300 0.90710637923801 1.008 > 17 82 H 0.59248515146700 0.40751484853300 0.90710637923801 1.008 > 17 83 H 0.09248515146700 0.90751484853300 0.90710637923801 1.008 > 17 84 H 0.59248515146700 0.90751484853300 0.90710637923801 1.008 > 17 85 H 0.07418151519967 0.14836303039934 0.75956028742866 1.008 > 21 86 H 0.57418151519967 0.14836303039934 0.75956028742866 1.008 > 21 87 H 0.07418151519967 0.64836303039934 0.75956028742866 1.008 > 21 88 H 0.57418151519967 0.64836303039934 0.75956028742866 1.008 > 21 89 H 0.07418151519967 0.42581848480033 0.75956028742866 1.008 > 25 90 H 0.57418151519967 0.42581848480033 0.75956028742866 1.008 > 25 91 H 0.07418151519967 0.92581848480033 0.75956028742866 1.008 > 25 92 H 0.57418151519967 0.92581848480033 0.75956028742866 1.008 > 25 93 H 0.35163696960066 0.42581848480033 0.75956028742866 1.008 > 29 94 H 0.85163696960066 0.42581848480033 0.75956028742866 1.008 > 29 95 H 0.35163696960066 0.92581848480033 0.75956028742866 1.008 > 29 96 H 0.85163696960066 0.92581848480033 0.75956028742866 1.008 > 29 97 B 0.00000000000000 0.00000000000000 0.26131348771087 10.811 > 97 98 B 0.50000000000000 0.00000000000000 0.26131348771087 10.811 > 97 99 B 0.00000000000000 0.50000000000000 0.26131348771087 10.811 > 97 100 B 0.50000000000000 0.50000000000000 0.26131348771087 10.811 > 97 101 B 0.33333333333333 0.16666666666667 0.07201984562246 10.811 > 101 102 B 0.83333333333333 0.16666666666667 0.07201984562246 10.811 > 101 103 B 0.33333333333333 0.66666666666667 0.07201984562246 10.811 > 101 104 B 0.83333333333333 0.66666666666667 0.07201984562246 10.811 > 101 105 B 0.33333333333333 0.16666666666667 0.59464682104421 10.811 > 97 106 B 0.83333333333333 0.16666666666667 0.59464682104421 10.811 > 97 107 B 0.33333333333333 0.66666666666667 0.59464682104421 10.811 > 97 108 B 0.83333333333333 0.66666666666667 0.59464682104421 10.811 > 97 109 B 0.16666666666667 0.33333333333333 0.40535317895579 10.811 > 101 110 B 0.66666666666667 0.33333333333333 0.40535317895579 10.811 > 101 111 B 0.16666666666667 0.83333333333333 0.40535317895579 10.811 > 101 112 B 0.66666666666667 0.83333333333333 0.40535317895579 10.811 > 101 113 B 0.16666666666667 0.33333333333333 0.92798015437754 10.811 > 97 114 B 0.66666666666667 0.33333333333333 0.92798015437754 10.811 > 97 115 B 0.16666666666667 0.83333333333333 0.92798015437754 10.811 > 97 116 B 0.66666666666667 0.83333333333333 0.92798015437754 10.811 > 97 117 B 0.00000000000000 0.00000000000000 0.73868651228913 10.811 > 101 118 B 0.50000000000000 0.00000000000000 0.73868651228913 10.811 > 101 119 B 0.00000000000000 0.50000000000000 0.73868651228913 10.811 > 101 120 B 0.50000000000000 0.50000000000000 0.73868651228913 10.811 > 101 121 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 121 122 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 121 123 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 121 124 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 121 125 Na 0.33333333333333 0.16666666666667 0.33333333333333 22.990 > 121 126 Na 0.83333333333333 0.16666666666667 0.33333333333333 22.990 > 121 127 Na 0.33333333333333 0.66666666666667 0.33333333333333 22.990 > 121 128 Na 0.83333333333333 0.66666666666667 0.33333333333333 22.990 > 121 129 Na 0.16666666666667 0.33333333333333 0.66666666666667 22.990 > 121 130 Na 0.66666666666667 0.33333333333333 0.66666666666667 22.990 > 121 131 Na 0.16666666666667 0.83333333333333 0.66666666666667 22.990 > 121 132 Na 0.66666666666667 0.83333333333333 0.66666666666667 22.990 > 121 133 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 133 134 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 133 135 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 133 136 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 133 137 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 133 138 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 133 139 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 133 140 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 133 141 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 133 142 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 133 143 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 133 144 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6067423 -0.0000000 0.0000000 0.0000000 2.6067423 0.0000000 0.0000000 0.0000000 2.5386345 -------------------------- Born effective charges -------------------------- 1 H -0.1619308 0.0000000 0.0000000 0.0000000 -0.1619308 0.0000000 0.0000000 -0.0000000 -0.5158450 2 H -0.1619308 0.0000000 0.0000000 0.0000000 -0.1619308 0.0000000 0.0000000 -0.0000000 -0.5158450 3 H -0.4752700 -0.1647070 0.1281881 -0.1647070 -0.2850827 0.0740094 0.1208592 0.0697781 -0.2248598 4 H -0.1899891 0.0000000 0.0000000 0.0000000 -0.5703636 -0.1480189 0.0000000 -0.1395562 -0.2248598 5 H -0.4752700 0.1647070 -0.1281881 0.1647070 -0.2850827 0.0740094 -0.1208592 0.0697781 -0.2248598 6 H -0.1899891 0.0000000 0.0000000 0.0000000 -0.5703636 -0.1480189 0.0000000 -0.1395562 -0.2248598 7 H -0.4752700 0.1647070 -0.1281881 0.1647070 -0.2850827 0.0740094 -0.1208592 0.0697781 -0.2248598 8 H -0.4752700 -0.1647070 0.1281881 -0.1647070 -0.2850827 0.0740094 0.1208592 0.0697781 -0.2248598 9 B 0.1691121 -0.0000000 0.0000000 0.0000000 0.1691121 0.0000000 0.0000000 -0.0000000 0.0920155 10 B 0.1691121 -0.0000000 0.0000000 0.0000000 0.1691121 0.0000000 0.0000000 -0.0000000 0.0920155 11 Na 1.1546261 -0.0000000 0.0000000 0.0000000 1.1546261 0.0000000 0.0000000 -0.0000000 0.9237937 12 K 1.1120696 -0.0000000 0.0000000 0.0000000 1.1120696 0.0000000 0.0000000 -0.0000000 1.2730240 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 133, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:36:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:36:48]------------------------- 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): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.254400035364100 1.301578467278562 6.773224656666660 b -2.254400035364096 1.301578467278562 6.773224656666660 c 0.000000000000002 -2.603156934557128 6.773224656666660 Atomic positions (fractional): 1 H 0.32175236651767 0.32175236651767 0.32175236651767 1.008 2 H 0.67824763348233 0.67824763348233 0.67824763348234 1.008 3 H 0.53716577337002 0.09207668217200 0.09207668217200 1.008 4 H 0.09207668217200 0.09207668217200 0.53716577337002 1.008 5 H 0.09207668217200 0.53716577337002 0.09207668217200 1.008 6 H 0.90792331782800 0.90792331782800 0.46283422662998 1.008 7 H 0.90792331782800 0.46283422662998 0.90792331782800 1.008 8 H 0.46283422662998 0.90792331782800 0.90792331782800 1.008 9 B 0.26131348771087 0.26131348771087 0.26131348771087 10.811 10 B 0.73868651228913 0.73868651228913 0.73868651228913 10.811 11 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 12 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.017600141456391 0.000000000000000 0.000000000000000 b -4.508800070728196 7.809470803671382 0.000000000000000 c 0.000000000000000 0.000000000000000 20.319673970000000 Atomic positions (fractional): 1 H 0.00000000000000 0.00000000000000 0.32175236651767 1.008 > 1 2 H 0.50000000000000 0.00000000000000 0.32175236651767 1.008 > 1 3 H 0.00000000000000 0.50000000000000 0.32175236651767 1.008 > 1 4 H 0.50000000000000 0.50000000000000 0.32175236651767 1.008 > 1 5 H 0.33333333333333 0.16666666666667 0.01158096681567 1.008 > 5 6 H 0.83333333333333 0.16666666666667 0.01158096681567 1.008 > 5 7 H 0.33333333333333 0.66666666666667 0.01158096681567 1.008 > 5 8 H 0.83333333333333 0.66666666666667 0.01158096681567 1.008 > 5 9 H 0.14836303039934 0.07418151519967 0.24043971257134 1.008 > 9 10 H 0.64836303039934 0.07418151519967 0.24043971257134 1.008 > 9 11 H 0.14836303039934 0.57418151519967 0.24043971257134 1.008 > 9 12 H 0.64836303039934 0.57418151519967 0.24043971257134 1.008 > 9 13 H 0.42581848480033 0.35163696960066 0.24043971257134 1.008 > 13 14 H 0.92581848480033 0.35163696960066 0.24043971257134 1.008 > 13 15 H 0.42581848480033 0.85163696960066 0.24043971257134 1.008 > 13 16 H 0.92581848480033 0.85163696960066 0.24043971257134 1.008 > 13 17 H 0.42581848480033 0.07418151519967 0.24043971257134 1.008 > 17 18 H 0.92581848480033 0.07418151519967 0.24043971257134 1.008 > 17 19 H 0.42581848480033 0.57418151519967 0.24043971257134 1.008 > 17 20 H 0.92581848480033 0.57418151519967 0.24043971257134 1.008 > 17 21 H 0.40751484853300 0.31502969706601 0.09289362076199 1.008 > 21 22 H 0.90751484853300 0.31502969706601 0.09289362076199 1.008 > 21 23 H 0.40751484853300 0.81502969706601 0.09289362076199 1.008 > 21 24 H 0.90751484853300 0.81502969706601 0.09289362076199 1.008 > 21 25 H 0.40751484853300 0.09248515146700 0.09289362076199 1.008 > 25 26 H 0.90751484853300 0.09248515146700 0.09289362076199 1.008 > 25 27 H 0.40751484853300 0.59248515146700 0.09289362076199 1.008 > 25 28 H 0.90751484853300 0.59248515146700 0.09289362076199 1.008 > 25 29 H 0.18497030293399 0.09248515146700 0.09289362076199 1.008 > 29 30 H 0.68497030293399 0.09248515146700 0.09289362076199 1.008 > 29 31 H 0.18497030293399 0.59248515146700 0.09289362076199 1.008 > 29 32 H 0.68497030293399 0.59248515146700 0.09289362076199 1.008 > 29 33 H 0.33333333333333 0.16666666666667 0.65508569985100 1.008 > 1 34 H 0.83333333333333 0.16666666666667 0.65508569985100 1.008 > 1 35 H 0.33333333333333 0.66666666666667 0.65508569985100 1.008 > 1 36 H 0.83333333333333 0.66666666666667 0.65508569985100 1.008 > 1 37 H 0.16666666666667 0.33333333333333 0.34491430014900 1.008 > 5 38 H 0.66666666666667 0.33333333333333 0.34491430014900 1.008 > 5 39 H 0.16666666666667 0.83333333333333 0.34491430014900 1.008 > 5 40 H 0.66666666666667 0.83333333333333 0.34491430014900 1.008 > 5 41 H 0.48169636373267 0.24084818186634 0.57377304590468 1.008 > 9 42 H 0.98169636373267 0.24084818186634 0.57377304590468 1.008 > 9 43 H 0.48169636373267 0.74084818186634 0.57377304590468 1.008 > 9 44 H 0.98169636373267 0.74084818186634 0.57377304590468 1.008 > 9 45 H 0.25915181813366 0.01830363626733 0.57377304590468 1.008 > 13 46 H 0.75915181813366 0.01830363626733 0.57377304590468 1.008 > 13 47 H 0.25915181813366 0.51830363626733 0.57377304590468 1.008 > 13 48 H 0.75915181813366 0.51830363626733 0.57377304590468 1.008 > 13 49 H 0.25915181813366 0.24084818186634 0.57377304590468 1.008 > 17 50 H 0.75915181813366 0.24084818186634 0.57377304590468 1.008 > 17 51 H 0.25915181813366 0.74084818186634 0.57377304590468 1.008 > 17 52 H 0.75915181813366 0.74084818186634 0.57377304590468 1.008 > 17 53 H 0.24084818186634 0.48169636373267 0.42622695409533 1.008 > 21 54 H 0.74084818186634 0.48169636373267 0.42622695409533 1.008 > 21 55 H 0.24084818186634 0.98169636373267 0.42622695409533 1.008 > 21 56 H 0.74084818186634 0.98169636373267 0.42622695409533 1.008 > 21 57 H 0.24084818186634 0.25915181813366 0.42622695409533 1.008 > 25 58 H 0.74084818186634 0.25915181813366 0.42622695409533 1.008 > 25 59 H 0.24084818186634 0.75915181813366 0.42622695409533 1.008 > 25 60 H 0.74084818186634 0.75915181813366 0.42622695409533 1.008 > 25 61 H 0.01830363626733 0.25915181813366 0.42622695409533 1.008 > 29 62 H 0.51830363626733 0.25915181813366 0.42622695409533 1.008 > 29 63 H 0.01830363626733 0.75915181813366 0.42622695409533 1.008 > 29 64 H 0.51830363626733 0.75915181813366 0.42622695409533 1.008 > 29 65 H 0.16666666666667 0.33333333333333 0.98841903318433 1.008 > 1 66 H 0.66666666666667 0.33333333333333 0.98841903318433 1.008 > 1 67 H 0.16666666666667 0.83333333333333 0.98841903318433 1.008 > 1 68 H 0.66666666666667 0.83333333333333 0.98841903318433 1.008 > 1 69 H 0.00000000000000 0.00000000000000 0.67824763348233 1.008 > 5 70 H 0.50000000000000 0.00000000000000 0.67824763348233 1.008 > 5 71 H 0.00000000000000 0.50000000000000 0.67824763348233 1.008 > 5 72 H 0.50000000000000 0.50000000000000 0.67824763348233 1.008 > 5 73 H 0.31502969706601 0.40751484853300 0.90710637923801 1.008 > 9 74 H 0.81502969706601 0.40751484853300 0.90710637923801 1.008 > 9 75 H 0.31502969706601 0.90751484853300 0.90710637923801 1.008 > 9 76 H 0.81502969706601 0.90751484853300 0.90710637923801 1.008 > 9 77 H 0.09248515146700 0.18497030293399 0.90710637923801 1.008 > 13 78 H 0.59248515146700 0.18497030293399 0.90710637923801 1.008 > 13 79 H 0.09248515146700 0.68497030293399 0.90710637923801 1.008 > 13 80 H 0.59248515146700 0.68497030293399 0.90710637923801 1.008 > 13 81 H 0.09248515146700 0.40751484853300 0.90710637923801 1.008 > 17 82 H 0.59248515146700 0.40751484853300 0.90710637923801 1.008 > 17 83 H 0.09248515146700 0.90751484853300 0.90710637923801 1.008 > 17 84 H 0.59248515146700 0.90751484853300 0.90710637923801 1.008 > 17 85 H 0.07418151519967 0.14836303039934 0.75956028742866 1.008 > 21 86 H 0.57418151519967 0.14836303039934 0.75956028742866 1.008 > 21 87 H 0.07418151519967 0.64836303039934 0.75956028742866 1.008 > 21 88 H 0.57418151519967 0.64836303039934 0.75956028742866 1.008 > 21 89 H 0.07418151519967 0.42581848480033 0.75956028742866 1.008 > 25 90 H 0.57418151519967 0.42581848480033 0.75956028742866 1.008 > 25 91 H 0.07418151519967 0.92581848480033 0.75956028742866 1.008 > 25 92 H 0.57418151519967 0.92581848480033 0.75956028742866 1.008 > 25 93 H 0.35163696960066 0.42581848480033 0.75956028742866 1.008 > 29 94 H 0.85163696960066 0.42581848480033 0.75956028742866 1.008 > 29 95 H 0.35163696960066 0.92581848480033 0.75956028742866 1.008 > 29 96 H 0.85163696960066 0.92581848480033 0.75956028742866 1.008 > 29 97 B 0.00000000000000 0.00000000000000 0.26131348771087 10.811 > 97 98 B 0.50000000000000 0.00000000000000 0.26131348771087 10.811 > 97 99 B 0.00000000000000 0.50000000000000 0.26131348771087 10.811 > 97 100 B 0.50000000000000 0.50000000000000 0.26131348771087 10.811 > 97 101 B 0.33333333333333 0.16666666666667 0.07201984562246 10.811 > 101 102 B 0.83333333333333 0.16666666666667 0.07201984562246 10.811 > 101 103 B 0.33333333333333 0.66666666666667 0.07201984562246 10.811 > 101 104 B 0.83333333333333 0.66666666666667 0.07201984562246 10.811 > 101 105 B 0.33333333333333 0.16666666666667 0.59464682104421 10.811 > 97 106 B 0.83333333333333 0.16666666666667 0.59464682104421 10.811 > 97 107 B 0.33333333333333 0.66666666666667 0.59464682104421 10.811 > 97 108 B 0.83333333333333 0.66666666666667 0.59464682104421 10.811 > 97 109 B 0.16666666666667 0.33333333333333 0.40535317895579 10.811 > 101 110 B 0.66666666666667 0.33333333333333 0.40535317895579 10.811 > 101 111 B 0.16666666666667 0.83333333333333 0.40535317895579 10.811 > 101 112 B 0.66666666666667 0.83333333333333 0.40535317895579 10.811 > 101 113 B 0.16666666666667 0.33333333333333 0.92798015437754 10.811 > 97 114 B 0.66666666666667 0.33333333333333 0.92798015437754 10.811 > 97 115 B 0.16666666666667 0.83333333333333 0.92798015437754 10.811 > 97 116 B 0.66666666666667 0.83333333333333 0.92798015437754 10.811 > 97 117 B 0.00000000000000 0.00000000000000 0.73868651228913 10.811 > 101 118 B 0.50000000000000 0.00000000000000 0.73868651228913 10.811 > 101 119 B 0.00000000000000 0.50000000000000 0.73868651228913 10.811 > 101 120 B 0.50000000000000 0.50000000000000 0.73868651228913 10.811 > 101 121 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 121 122 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 121 123 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 121 124 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 121 125 Na 0.33333333333333 0.16666666666667 0.33333333333333 22.990 > 121 126 Na 0.83333333333333 0.16666666666667 0.33333333333333 22.990 > 121 127 Na 0.33333333333333 0.66666666666667 0.33333333333333 22.990 > 121 128 Na 0.83333333333333 0.66666666666667 0.33333333333333 22.990 > 121 129 Na 0.16666666666667 0.33333333333333 0.66666666666667 22.990 > 121 130 Na 0.66666666666667 0.33333333333333 0.66666666666667 22.990 > 121 131 Na 0.16666666666667 0.83333333333333 0.66666666666667 22.990 > 121 132 Na 0.66666666666667 0.83333333333333 0.66666666666667 22.990 > 121 133 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 133 134 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 133 135 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 133 136 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 133 137 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 133 138 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 133 139 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 133 140 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 133 141 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 133 142 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 133 143 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 133 144 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6067423 -0.0000000 0.0000000 0.0000000 2.6067423 0.0000000 0.0000000 0.0000000 2.5386345 -------------------------- Born effective charges -------------------------- 1 H -0.1619308 0.0000000 0.0000000 0.0000000 -0.1619308 0.0000000 0.0000000 -0.0000000 -0.5158450 2 H -0.1619308 0.0000000 0.0000000 0.0000000 -0.1619308 0.0000000 0.0000000 -0.0000000 -0.5158450 3 H -0.4752700 -0.1647070 0.1281881 -0.1647070 -0.2850827 0.0740094 0.1208592 0.0697781 -0.2248598 4 H -0.1899891 0.0000000 0.0000000 0.0000000 -0.5703636 -0.1480189 0.0000000 -0.1395562 -0.2248598 5 H -0.4752700 0.1647070 -0.1281881 0.1647070 -0.2850827 0.0740094 -0.1208592 0.0697781 -0.2248598 6 H -0.1899891 0.0000000 0.0000000 0.0000000 -0.5703636 -0.1480189 0.0000000 -0.1395562 -0.2248598 7 H -0.4752700 0.1647070 -0.1281881 0.1647070 -0.2850827 0.0740094 -0.1208592 0.0697781 -0.2248598 8 H -0.4752700 -0.1647070 0.1281881 -0.1647070 -0.2850827 0.0740094 0.1208592 0.0697781 -0.2248598 9 B 0.1691121 -0.0000000 0.0000000 0.0000000 0.1691121 0.0000000 0.0000000 -0.0000000 0.0920155 10 B 0.1691121 -0.0000000 0.0000000 0.0000000 0.1691121 0.0000000 0.0000000 -0.0000000 0.0920155 11 Na 1.1546261 -0.0000000 0.0000000 0.0000000 1.1546261 0.0000000 0.0000000 -0.0000000 0.9237937 12 K 1.1120696 -0.0000000 0.0000000 0.0000000 1.1120696 0.0000000 0.0000000 -0.0000000 1.2730240 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 13 ] 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: 0.84, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/231) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 6.127 ( 0.000 0.000 0.000) 0.000 6.127 ( 0.000 0.000 0.000) 0.000 6.429 ( 0.000 0.000 0.000) 0.000 7.165 ( 0.000 0.000 0.000) 0.000 9.974 ( 0.000 0.000 0.000) 0.000 9.974 ( 0.000 0.000 0.000) 0.000 11.756 ( 0.000 0.000 0.000) 0.000 11.790 ( 0.000 0.000 0.000) 0.000 12.140 ( 0.000 0.000 0.000) 0.000 12.140 ( 0.000 0.000 0.000) 0.000 31.890 ( 0.000 0.000 0.000) 0.000 31.890 ( 0.000 0.000 0.000) 0.000 32.068 ( 0.000 0.000 0.000) 0.000 32.068 ( 0.000 0.000 0.000) 0.000 32.898 ( 0.000 0.000 0.000) 0.000 33.014 ( 0.000 0.000 0.000) 0.000 36.291 ( 0.000 0.000 0.000) 0.000 36.291 ( 0.000 0.000 0.000) 0.000 36.441 ( 0.000 0.000 0.000) 0.000 36.441 ( 0.000 0.000 0.000) 0.000 68.865 ( 0.000 0.000 0.000) 0.000 68.942 ( 0.000 0.000 0.000) 0.000 70.134 ( 0.000 0.000 0.000) 0.000 70.134 ( 0.000 0.000 0.000) 0.000 70.272 ( 0.000 0.000 0.000) 0.000 70.272 ( 0.000 0.000 0.000) 0.000 71.382 ( 0.000 0.000 0.000) 0.000 72.180 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/231) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 22.783 13.154 6.739) 27.157 0.651 ( 30.858 17.816 -14.787) 38.578 1.104 ( 44.213 25.526 19.848) 54.775 3.214 ( -0.712 -0.411 -0.435) 0.931 3.346 ( 0.634 0.366 -5.179) 5.231 4.874 ( -7.160 -4.134 0.820) 8.309 5.343 ( 1.614 0.932 0.724) 1.999 6.154 ( 2.288 1.321 0.822) 2.767 6.267 ( 6.886 3.975 1.882) 8.171 6.356 ( 5.492 3.171 -20.215) 21.186 7.100 ( -6.110 -3.528 3.925) 8.074 7.627 ( -2.704 -1.561 13.397) 13.756 9.993 ( 1.313 0.758 1.762) 2.325 10.244 ( 4.802 2.772 -4.261) 6.993 11.801 ( 3.904 2.254 -0.086) 4.509 11.834 ( 3.785 2.185 -0.079) 4.371 12.136 ( 0.067 0.039 -1.997) 1.999 12.138 ( -0.297 -0.171 0.782) 0.854 31.886 ( -0.418 -0.241 0.347) 0.595 32.058 ( -0.858 -0.495 -0.241) 1.019 32.066 ( -0.113 -0.065 -0.187) 0.228 32.102 ( 0.468 0.270 -5.034) 5.063 32.900 ( -1.412 -0.815 4.258) 4.559 33.006 ( -0.773 -0.446 0.427) 0.989 36.292 ( 0.053 0.030 0.030) 0.068 36.295 ( 0.225 0.130 -0.156) 0.303 36.439 ( -0.207 -0.120 -0.046) 0.244 36.442 ( 0.014 0.008 0.360) 0.360 68.860 ( -0.412 -0.238 0.035) 0.477 68.934 ( -0.765 -0.442 0.409) 0.973 70.133 ( -0.045 -0.026 -0.171) 0.179 70.277 ( 0.311 0.180 0.123) 0.380 70.307 ( 2.894 1.671 0.489) 3.377 71.004 ( 6.593 3.806 -36.250) 37.040 71.462 ( -4.890 -2.824 31.506) 32.008 72.158 ( -1.906 -1.101 -0.021) 2.201 ======================= Grid point 2 (3/231) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 20.624 11.907 5.237) 24.384 1.285 ( 29.638 17.111 -15.169) 37.434 2.138 ( 39.761 22.956 18.769) 49.600 3.187 ( -1.487 -0.858 -0.631) 1.829 3.336 ( 0.642 0.370 -7.868) 7.903 4.690 ( -8.940 -5.162 2.510) 10.624 5.386 ( 1.785 1.030 -0.345) 2.090 6.204 ( -5.447 -3.145 -4.643) 7.818 6.238 ( 4.485 2.589 2.853) 5.913 6.646 ( 12.323 7.115 11.170) 18.090 6.941 ( -6.913 -3.991 0.023) 7.983 7.600 ( -0.866 -0.500 -6.309) 6.388 10.042 ( 2.085 1.204 3.427) 4.188 10.390 ( 9.168 5.293 -2.612) 10.904 11.922 ( 5.883 3.397 -0.279) 6.799 11.950 ( 6.500 3.753 -0.872) 7.556 12.131 ( -0.762 -0.440 1.442) 1.690 12.140 ( 1.769 1.021 -2.926) 3.569 31.874 ( -0.760 -0.439 0.628) 1.079 32.029 ( -1.531 -0.884 -0.438) 1.822 32.062 ( -0.163 -0.094 -0.332) 0.382 32.090 ( -0.243 -0.140 -2.534) 2.550 32.878 ( -1.378 -0.795 1.652) 2.293 32.983 ( -1.421 -0.820 0.432) 1.696 36.294 ( 0.109 0.063 0.075) 0.146 36.302 ( 0.432 0.250 -0.248) 0.557 36.432 ( -0.389 -0.225 -0.103) 0.461 36.444 ( -0.068 -0.039 0.629) 0.634 68.847 ( -0.659 -0.380 0.033) 0.761 68.913 ( -1.099 -0.635 0.078) 1.272 70.132 ( 0.100 0.058 -0.254) 0.279 70.286 ( 0.374 0.216 0.170) 0.464 70.403 ( 5.105 2.947 0.985) 5.977 71.022 ( 3.992 2.305 -18.198) 18.773 71.473 ( -1.993 -1.151 15.535) 15.704 72.095 ( -3.524 -2.034 -0.104) 4.070 ======================= Grid point 3 (4/231) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 17.711 10.225 3.246) 20.707 1.875 ( 27.165 15.684 -15.679) 35.067 3.026 ( 31.521 18.199 16.247) 39.859 3.141 ( -2.432 -1.404 -0.502) 2.853 3.318 ( 1.272 0.734 -10.617) 10.718 4.506 ( -8.564 -4.945 7.406) 12.355 5.410 ( 0.682 0.394 -2.534) 2.653 6.040 ( -8.241 -4.758 2.268) 9.783 6.374 ( 5.885 3.398 5.192) 8.552 6.635 ( -12.073 -6.970 8.437) 16.295 7.064 ( 11.479 6.627 5.374) 14.302 7.552 ( 1.200 0.693 -17.308) 17.363 10.108 ( 2.273 1.312 4.702) 5.385 10.638 ( 13.168 7.603 -1.636) 15.293 11.988 ( 0.658 0.380 -3.853) 3.927 12.111 ( -1.594 -0.920 1.935) 2.670 12.137 ( 9.569 5.524 -0.411) 11.057 12.237 ( 7.357 4.248 -1.111) 8.567 31.857 ( -0.951 -0.549 0.788) 1.351 31.987 ( -1.869 -1.079 -0.557) 2.229 32.057 ( -0.160 -0.093 -0.581) 0.610 32.073 ( -0.538 -0.311 -1.393) 1.525 32.852 ( -1.337 -0.772 1.101) 1.896 32.947 ( -1.737 -1.003 -0.008) 2.006 36.297 ( 0.165 0.095 0.134) 0.234 36.313 ( 0.631 0.364 -0.316) 0.794 36.421 ( -0.516 -0.298 -0.169) 0.619 36.443 ( -0.279 -0.161 0.755) 0.821 68.832 ( -0.656 -0.379 0.009) 0.758 68.887 ( -1.139 -0.658 -0.060) 1.317 70.137 ( 0.386 0.223 -0.253) 0.513 70.293 ( 0.189 0.109 0.152) 0.266 70.539 ( 6.349 3.666 1.440) 7.472 71.046 ( 3.063 1.769 -11.884) 12.399 71.487 ( -1.075 -0.621 9.905) 9.983 72.002 ( -4.548 -2.626 -0.263) 5.258 ======================= Grid point 4 (5/231) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 14.544 8.397 1.346) 16.848 2.390 ( 23.008 13.284 -15.879) 30.951 3.072 ( -3.574 -2.063 -0.150) 4.130 3.304 ( 2.994 1.729 -10.642) 11.190 3.684 ( 19.454 11.232 10.958) 24.994 4.360 ( -7.826 -4.518 13.499) 16.244 5.400 ( -0.395 -0.228 -3.718) 3.746 5.866 ( -7.656 -4.420 5.910) 10.634 6.379 ( -11.323 -6.537 2.282) 13.272 6.531 ( 5.689 3.285 5.881) 8.817 7.245 ( 1.442 0.833 6.515) 6.725 7.575 ( 7.190 4.151 -17.508) 19.377 10.177 ( 2.087 1.205 5.086) 5.628 10.960 ( 15.153 8.749 -1.215) 17.539 11.962 ( -0.934 -0.539 -4.910) 5.027 12.068 ( -3.068 -1.771 2.245) 4.195 12.358 ( 9.447 5.454 -0.219) 10.911 12.422 ( 8.347 4.819 -0.460) 9.650 31.839 ( -0.927 -0.535 0.793) 1.332 31.943 ( -1.787 -1.032 -0.572) 2.141 32.049 ( -0.260 -0.150 -1.400) 1.432 32.058 ( -0.455 -0.263 0.064) 0.530 32.827 ( -1.225 -0.707 1.148) 1.822 32.908 ( -1.524 -0.880 -0.600) 1.859 36.302 ( 0.208 0.120 0.188) 0.305 36.328 ( 0.815 0.471 -0.353) 1.005 36.408 ( -0.550 -0.317 -0.220) 0.671 36.436 ( -0.566 -0.327 0.739) 0.987 68.819 ( -0.435 -0.251 0.008) 0.503 68.862 ( -1.009 -0.583 -0.129) 1.172 70.148 ( 0.643 0.371 -0.205) 0.770 70.294 ( -0.098 -0.056 0.111) 0.158 70.695 ( 6.648 3.838 1.802) 7.885 71.068 ( 2.202 1.271 -8.317) 8.697 71.495 ( -1.009 -0.582 6.632) 6.734 71.894 ( -4.594 -2.652 -0.410) 5.321 ======================= Grid point 5 (6/231) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 10.995 6.348 0.055) 12.696 2.783 ( 16.040 9.261 -14.171) 23.321 2.979 ( -4.451 -2.570 0.221) 5.145 3.391 ( 8.185 4.725 -7.546) 12.094 3.970 ( 3.113 1.797 3.344) 4.909 4.243 ( -7.775 -4.489 16.654) 18.920 5.372 ( -0.712 -0.411 -3.104) 3.211 5.781 ( -1.373 -0.793 7.495) 7.661 6.155 ( -8.420 -4.861 -1.219) 9.799 6.663 ( 3.992 2.305 4.452) 6.409 7.242 ( -1.076 -0.621 -0.652) 1.403 7.687 ( 5.487 3.168 -7.686) 9.960 10.237 ( 1.545 0.892 4.068) 4.442 11.298 ( 14.551 8.401 -1.347) 16.856 11.921 ( -0.982 -0.567 -3.935) 4.095 11.982 ( -5.421 -3.130 2.325) 6.678 12.547 ( 6.874 3.969 -0.088) 7.938 12.589 ( 6.136 3.543 -0.311) 7.092 31.823 ( -0.671 -0.388 0.615) 0.990 31.905 ( -1.288 -0.744 -0.457) 1.556 32.037 ( -0.309 -0.178 -1.052) 1.111 32.052 ( -0.214 -0.123 0.279) 0.372 32.805 ( -1.021 -0.590 1.035) 1.569 32.877 ( -0.864 -0.499 -0.797) 1.277 36.308 ( 0.200 0.115 0.188) 0.298 36.347 ( 0.927 0.535 -0.359) 1.130 36.395 ( -0.449 -0.259 -0.211) 0.560 36.423 ( -0.797 -0.460 0.616) 1.107 68.813 ( -0.103 -0.060 0.046) 0.128 68.841 ( -0.804 -0.464 -0.155) 0.941 70.163 ( 0.677 0.391 -0.136) 0.793 70.290 ( -0.288 -0.166 0.070) 0.340 70.848 ( 5.969 3.446 2.115) 7.209 71.079 ( 0.942 0.544 -5.790) 5.892 71.487 ( -1.500 -0.866 3.956) 4.319 71.801 ( -3.252 -1.878 -0.342) 3.771 ======================= Grid point 6 (7/231) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 5.038 2.909 -0.251) 5.822 2.888 ( -2.871 -1.658 0.250) 3.325 2.996 ( 5.930 3.424 -6.341) 9.333 3.609 ( 11.584 6.688 -3.337) 13.786 3.894 ( -8.520 -4.919 0.339) 9.844 4.147 ( -3.976 -2.296 8.452) 9.618 5.351 ( -0.327 -0.189 -1.183) 1.242 5.848 ( 3.925 2.266 6.899) 8.254 5.984 ( -5.895 -3.404 -4.245) 8.023 6.738 ( 1.420 0.820 1.635) 2.315 7.221 ( -0.325 -0.188 -0.921) 0.994 7.748 ( 1.618 0.934 -2.218) 2.900 10.273 ( 0.585 0.338 1.577) 1.716 11.595 ( 11.629 6.714 -1.682) 13.533 11.834 ( -8.236 -4.755 2.071) 9.733 11.894 ( -0.406 -0.234 -1.514) 1.585 12.656 ( 2.519 1.454 -0.010) 2.909 12.686 ( 2.227 1.286 -0.129) 2.575 31.814 ( -0.243 -0.140 0.240) 0.370 31.883 ( -0.471 -0.272 -0.183) 0.574 32.029 ( -0.118 -0.068 -0.350) 0.376 32.050 ( -0.072 -0.042 0.097) 0.128 32.791 ( -0.427 -0.246 0.405) 0.638 32.863 ( -0.242 -0.140 -0.342) 0.442 36.312 ( 0.090 0.052 0.085) 0.135 36.365 ( 0.647 0.374 -0.247) 0.787 36.387 ( -0.181 -0.105 -0.093) 0.229 36.407 ( -0.609 -0.352 0.336) 0.779 68.815 ( 0.227 0.131 0.097) 0.279 68.825 ( -0.534 -0.308 -0.139) 0.632 70.174 ( 0.314 0.181 -0.049) 0.366 70.284 ( -0.173 -0.100 0.026) 0.202 70.971 ( 3.712 2.143 2.263) 4.847 71.062 ( -0.886 -0.511 -3.483) 3.630 71.464 ( -1.018 -0.588 1.309) 1.759 71.750 ( -1.054 -0.609 -0.089) 1.220 ======================= Grid point 14 (8/231) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.000 24.863 16.808) 30.011 0.640 ( -0.000 36.701 -12.276) 38.700 1.162 ( -0.000 47.716 26.061) 54.369 3.202 ( -0.000 -1.078 -2.573) 2.790 3.344 ( -0.000 2.398 -5.441) 5.946 4.858 ( 0.000 -9.957 -2.074) 10.171 5.293 ( -0.000 0.208 -7.512) 7.515 6.109 ( -0.000 12.766 -37.828) 39.924 6.186 ( 0.000 3.377 6.038) 6.918 6.291 ( -0.000 4.649 -3.334) 5.720 7.124 ( 0.000 -6.236 5.833) 8.539 7.809 ( 0.000 -5.934 32.388) 32.928 9.985 ( -0.000 0.880 0.376) 0.957 10.239 ( -0.000 7.605 -4.314) 8.743 11.800 ( -0.000 4.470 -0.262) 4.477 11.835 ( -0.000 4.507 0.113) 4.508 12.120 ( -0.000 -1.015 -2.469) 2.670 12.147 ( -0.000 0.785 -0.011) 0.785 31.884 ( 0.000 -0.617 -0.022) 0.617 32.059 ( 0.000 -0.898 -0.007) 0.898 32.065 ( -0.000 -0.183 -0.290) 0.343 32.082 ( -0.000 2.780 -7.141) 7.664 32.920 ( 0.000 -3.521 6.131) 7.070 33.010 ( 0.000 -0.961 1.185) 1.525 36.291 ( -0.000 0.025 -0.124) 0.127 36.295 ( -0.000 0.314 -0.088) 0.326 36.440 ( 0.000 -0.204 0.079) 0.219 36.440 ( 0.000 -0.118 0.027) 0.121 68.860 ( 0.000 -0.471 0.095) 0.480 68.935 ( 0.000 -1.162 0.510) 1.269 70.134 ( 0.000 0.016 0.073) 0.074 70.276 ( -0.000 0.334 0.088) 0.346 70.299 ( -0.000 3.038 -0.942) 3.181 70.863 ( -0.000 15.744 -37.841) 40.985 71.588 ( 0.000 -11.534 31.667) 33.702 72.158 ( 0.000 -2.185 -0.012) 2.185 ======================= Grid point 15 (9/231) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 10.500 23.084 8.475) 26.738 1.097 ( 14.151 30.934 -9.862) 35.418 1.951 ( 24.606 38.069 24.054) 51.316 3.188 ( 0.620 -0.953 -2.908) 3.122 3.321 ( -1.907 1.745 -7.484) 7.918 4.708 ( -3.080 -11.261 -2.329) 11.905 5.330 ( 5.237 0.043 -6.055) 8.006 6.105 ( 3.687 0.270 -14.767) 15.222 6.252 ( -1.722 -1.113 2.396) 3.154 6.483 ( 16.799 10.189 -2.948) 19.868 7.028 ( -5.945 -7.336 6.732) 11.596 7.758 ( -11.499 3.419 14.214) 18.600 10.033 ( 3.257 1.730 1.812) 4.109 10.330 ( 2.998 8.367 -1.834) 9.075 11.886 ( 3.829 6.385 -0.282) 7.450 11.913 ( 2.628 5.584 -0.244) 6.176 12.104 ( 0.982 -0.683 -3.150) 3.369 12.153 ( -0.528 1.188 0.129) 1.306 31.877 ( -0.098 -0.949 0.262) 0.989 32.037 ( -1.008 -1.226 -0.277) 1.611 32.063 ( -0.065 -0.089 -0.520) 0.532 32.083 ( 0.004 0.882 -3.444) 3.555 32.895 ( -1.098 -2.068 2.562) 3.471 32.995 ( -0.876 -1.283 1.124) 1.918 36.292 ( 0.158 0.049 -0.118) 0.203 36.299 ( 0.113 0.436 -0.130) 0.469 36.435 ( -0.268 -0.222 -0.085) 0.358 36.442 ( 0.257 -0.313 0.426) 0.588 68.852 ( -0.375 -0.601 0.116) 0.718 68.919 ( -0.570 -1.200 0.028) 1.328 70.136 ( -0.054 0.334 -0.093) 0.351 70.273 ( 0.167 -0.048 0.111) 0.206 70.372 ( 3.537 4.255 -0.244) 5.538 70.916 ( 3.805 7.792 -21.952) 23.603 71.562 ( -3.034 -4.726 18.837) 19.657 72.116 ( -1.844 -3.096 -0.045) 3.604 ======================= Grid point 16 (10/231) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 12.360 18.174 8.020) 23.397 1.616 ( 18.717 26.180 -15.325) 35.645 2.811 ( 26.343 27.169 19.991) 42.799 3.180 ( -0.693 1.308 -1.692) 2.248 3.267 ( -0.792 0.346 -10.993) 11.027 4.544 ( -2.959 -10.695 2.246) 11.322 5.385 ( 2.472 1.262 -5.384) 6.057 6.077 ( -1.280 -5.737 -4.359) 7.318 6.245 ( 4.481 -5.457 5.573) 8.995 6.844 ( -8.147 -5.046 2.362) 9.870 6.888 ( 16.444 9.852 0.481) 19.176 7.629 ( -11.732 5.354 1.143) 12.947 10.128 ( 2.665 4.403 3.740) 6.362 10.503 ( 8.763 7.704 -1.094) 11.719 11.973 ( 0.073 1.443 -2.703) 3.065 12.046 ( 6.586 6.043 -0.204) 8.941 12.155 ( -0.293 3.147 0.539) 3.206 12.163 ( 5.149 3.706 -1.598) 6.542 31.863 ( -0.397 -1.124 0.535) 1.306 32.001 ( -1.480 -1.477 -0.403) 2.130 32.058 ( -0.225 0.080 -0.841) 0.874 32.074 ( -0.377 0.102 -1.635) 1.681 32.866 ( -1.044 -1.481 1.241) 2.197 32.964 ( -1.528 -1.466 0.615) 2.205 36.296 ( 0.218 0.148 -0.030) 0.265 36.307 ( 0.323 0.479 -0.219) 0.618 36.426 ( -0.462 -0.289 -0.121) 0.558 36.444 ( 0.114 -0.441 0.655) 0.798 68.838 ( -0.556 -0.587 0.092) 0.813 68.895 ( -0.807 -1.134 -0.154) 1.400 70.138 ( -0.081 0.611 -0.200) 0.648 70.281 ( 0.786 -0.376 0.208) 0.896 70.493 ( 4.950 5.115 0.505) 7.136 70.968 ( 3.281 4.509 -14.199) 15.255 71.545 ( -2.069 -2.127 12.126) 12.484 72.037 ( -3.317 -3.703 -0.158) 4.974 ======================= Grid point 17 (11/231) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 10.533 15.099 5.860) 19.320 2.115 ( 19.660 20.419 -17.722) 33.429 3.114 ( -2.762 -0.831 -4.186) 5.083 3.229 ( 2.678 1.386 -9.887) 10.337 3.551 ( 18.719 19.450 15.651) 31.203 4.422 ( -2.278 -9.382 9.341) 13.434 5.393 ( -0.336 1.139 -5.348) 5.478 5.939 ( -5.571 -7.478 2.346) 9.616 6.284 ( 5.117 -11.854 3.930) 13.496 6.687 ( -7.335 4.367 1.380) 8.647 7.234 ( 11.299 5.255 5.064) 13.451 7.494 ( -6.414 4.794 -9.952) 12.774 10.227 ( 0.303 6.915 4.744) 8.391 10.769 ( 14.270 6.453 -1.035) 15.695 11.946 ( -1.019 -1.526 -3.484) 3.938 12.116 ( -1.616 0.624 0.745) 1.886 12.276 ( 7.313 7.997 -0.277) 10.841 12.335 ( 7.710 6.104 -0.493) 9.846 31.846 ( -0.559 -1.160 0.623) 1.431 31.958 ( -1.630 -1.443 -0.437) 2.221 32.050 ( -0.393 0.217 -1.313) 1.388 32.063 ( -0.378 -0.194 -0.310) 0.526 32.841 ( -0.906 -1.130 1.038) 1.782 32.922 ( -1.698 -1.417 -0.119) 2.215 36.302 ( 0.188 0.287 0.074) 0.351 36.319 ( 0.608 0.467 -0.297) 0.823 36.413 ( -0.561 -0.329 -0.147) 0.667 36.441 ( -0.194 -0.584 0.709) 0.939 68.824 ( -0.482 -0.451 0.066) 0.664 68.870 ( -0.814 -0.981 -0.204) 1.291 70.145 ( 0.206 0.644 -0.192) 0.703 70.290 ( 0.487 -0.236 0.176) 0.569 70.640 ( 5.794 5.206 1.044) 7.859 71.010 ( 2.677 2.941 -9.855) 10.628 71.537 ( -1.510 -1.298 8.189) 8.428 71.934 ( -4.036 -3.894 -0.308) 5.617 ======================= Grid point 18 (12/231) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 8.215 12.271 3.784) 15.244 2.537 ( 17.410 14.021 -18.479) 29.003 3.029 ( -3.229 -2.056 -3.483) 5.175 3.292 ( 5.246 5.831 -7.946) 11.165 3.955 ( 6.140 7.553 8.192) 12.722 4.342 ( -3.235 -8.102 16.020) 18.241 5.368 ( -0.962 0.392 -4.340) 4.463 5.804 ( -2.255 -5.799 3.462) 7.120 6.187 ( -3.562 -9.321 0.987) 10.027 6.712 ( 0.665 7.613 1.274) 7.747 7.290 ( -6.236 0.971 2.729) 6.876 7.554 ( 9.436 3.238 -8.191) 12.908 10.306 ( -1.837 8.094 4.048) 9.234 11.089 ( 16.502 5.055 -1.381) 17.314 11.894 ( -1.039 -3.190 -1.903) 3.857 12.076 ( -4.227 1.296 0.574) 4.458 12.473 ( 7.087 5.956 -0.181) 9.259 12.516 ( 6.880 4.858 -0.335) 8.429 31.828 ( -0.491 -1.070 0.508) 1.282 31.917 ( -1.374 -1.145 -0.336) 1.820 32.040 ( -0.465 0.294 -1.228) 1.345 32.055 ( -0.240 -0.210 0.251) 0.406 32.820 ( -0.926 -0.838 1.163) 1.707 32.883 ( -1.140 -1.097 -0.757) 1.753 36.308 ( 0.119 0.379 0.116) 0.414 36.335 ( 0.864 0.459 -0.324) 1.031 36.400 ( -0.528 -0.307 -0.136) 0.626 36.431 ( -0.524 -0.719 0.627) 1.088 68.814 ( -0.215 -0.263 0.076) 0.348 68.847 ( -0.701 -0.795 -0.199) 1.078 70.156 ( 0.495 0.500 -0.146) 0.719 70.294 ( -0.043 0.050 0.120) 0.137 70.794 ( 5.824 4.678 1.343) 7.590 71.041 ( 1.826 1.819 -6.856) 7.324 71.524 ( -1.745 -1.066 5.262) 5.645 71.830 ( -3.467 -3.549 -0.308) 4.971 ======================= Grid point 19 (13/231) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 4.920 8.839 2.694) 10.468 2.833 ( 12.585 6.552 -15.099) 20.720 2.944 ( -3.703 -0.511 -1.506) 4.030 3.474 ( 10.118 9.328 -6.874) 15.383 3.988 ( -5.916 -1.408 1.467) 6.255 4.245 ( -6.275 -8.323 17.657) 20.504 5.344 ( -0.323 0.133 -3.540) 3.557 5.798 ( 4.293 -2.955 3.512) 6.285 6.035 ( -6.000 -3.305 -2.027) 7.143 6.807 ( -0.351 8.278 1.195) 8.371 7.209 ( -2.333 -2.048 -0.429) 3.134 7.683 ( 5.527 0.458 -2.625) 6.136 10.351 ( -3.617 8.185 1.691) 9.107 11.400 ( 15.488 3.050 -1.898) 15.899 11.824 ( -2.144 -6.443 1.195) 6.895 12.012 ( -5.597 3.750 -0.012) 6.737 12.616 ( 4.336 2.846 -0.075) 5.187 12.648 ( 4.133 2.522 -0.219) 4.847 31.813 ( -0.199 -0.862 0.201) 0.907 31.889 ( -0.742 -0.665 -0.099) 1.001 32.033 ( -0.312 0.412 -0.729) 0.894 32.051 ( -0.157 -0.154 0.295) 0.368 32.801 ( -0.893 -0.483 0.759) 1.268 32.860 ( -0.179 -0.687 -0.621) 0.943 36.314 ( -0.005 0.380 0.047) 0.382 36.354 ( 0.941 0.409 -0.284) 1.065 36.390 ( -0.320 -0.189 -0.042) 0.374 36.415 ( -0.691 -0.765 0.442) 1.122 68.812 ( 0.131 -0.085 0.109) 0.191 68.829 ( -0.515 -0.593 -0.165) 0.802 70.168 ( 0.514 0.184 -0.091) 0.553 70.292 ( -0.399 0.377 0.073) 0.554 70.932 ( 4.734 3.349 1.308) 5.945 71.052 ( 0.392 0.869 -4.279) 4.384 71.495 ( -2.236 -0.765 2.530) 3.462 71.755 ( -1.432 -2.644 0.028) 3.007 ======================= Grid point 20 (14/231) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -2.515 3.295 2.488) 4.834 2.894 ( -0.750 2.091 0.078) 2.223 2.988 ( 4.825 0.812 -6.273) 7.955 3.692 ( 2.396 3.891 -9.137) 10.216 3.843 ( -2.509 1.445 1.876) 3.450 4.133 ( -3.835 -6.278 11.323) 13.503 5.337 ( 0.984 -0.129 -2.582) 2.766 5.835 ( 0.747 -5.895 -2.404) 6.410 5.950 ( -0.151 3.407 -0.584) 3.460 6.846 ( -5.478 8.541 -0.001) 10.147 7.180 ( 2.347 -3.596 0.452) 4.318 7.737 ( 1.991 -1.543 1.075) 2.739 10.355 ( -5.131 7.629 -1.440) 9.306 11.649 ( 12.446 0.003 -1.812) 12.577 11.677 ( -6.920 -9.417 2.543) 11.960 11.985 ( -3.387 6.395 0.889) 7.290 12.668 ( 0.132 -0.188 0.011) 0.230 12.697 ( 0.127 -0.097 -0.056) 0.169 31.807 ( 0.236 -0.560 -0.194) 0.638 31.879 ( 0.137 -0.145 0.198) 0.281 32.032 ( -0.068 0.540 -0.179) 0.573 32.049 ( -0.053 -0.082 0.219) 0.240 32.790 ( -0.261 0.014 -0.050) 0.266 32.856 ( 0.442 -0.392 0.047) 0.593 36.315 ( -0.200 0.290 -0.115) 0.371 36.368 ( 0.222 -0.034 0.058) 0.232 36.386 ( 0.019 0.015 0.116) 0.118 36.401 ( -0.033 -0.378 -0.042) 0.381 68.816 ( -0.077 -0.250 -0.038) 0.265 68.819 ( 0.283 -0.072 0.064) 0.299 70.174 ( 0.144 -0.196 -0.024) 0.244 70.290 ( -0.380 0.621 0.030) 0.729 70.993 ( -1.021 -0.390 -2.201) 2.457 71.061 ( 1.325 1.482 1.535) 2.511 71.466 ( -1.001 0.284 -0.032) 1.041 71.731 ( 0.848 -1.469 0.341) 1.730 ======================= Grid point 21 (15/231) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -10.881 -1.055 2.038) 11.121 2.949 ( -1.728 -1.262 4.559) 5.036 2.960 ( -2.226 1.232 1.253) 2.836 3.521 ( -9.890 -3.858 1.170) 10.680 3.984 ( 3.665 5.543 -4.444) 7.994 4.092 ( 2.827 -2.991 -2.863) 5.014 5.353 ( 2.148 -0.600 -2.073) 3.045 5.751 ( -1.437 -1.620 -4.682) 5.159 6.040 ( 6.411 1.026 -1.181) 6.599 6.793 ( -8.496 6.299 -1.210) 10.646 7.212 ( 3.141 -0.792 0.154) 3.243 7.732 ( -1.030 -3.780 5.638) 6.866 10.318 ( -6.142 6.775 -3.933) 9.955 11.425 ( -11.118 -11.382 2.386) 16.089 11.815 ( 8.403 -1.479 -0.495) 8.546 12.020 ( -1.013 6.603 1.470) 6.840 12.617 ( -4.620 -2.260 0.083) 5.144 12.650 ( -4.118 -2.341 0.105) 4.738 31.809 ( 0.695 -0.237 -0.499) 0.888 31.892 ( 1.045 0.275 0.410) 1.155 32.039 ( 0.205 0.621 0.352) 0.742 32.050 ( 0.062 -0.006 0.109) 0.125 32.793 ( 0.533 0.384 -0.679) 0.945 32.867 ( 0.928 -0.078 0.569) 1.091 36.312 ( -0.345 0.187 -0.235) 0.458 36.358 ( -0.813 -0.587 0.397) 1.078 36.391 ( 0.362 0.175 0.239) 0.468 36.409 ( 0.895 0.173 -0.528) 1.054 68.811 ( 0.024 -0.154 -0.045) 0.163 68.831 ( 0.786 0.154 0.131) 0.811 70.169 ( -0.363 -0.349 0.054) 0.506 70.291 ( -0.161 0.518 -0.016) 0.542 70.910 ( -5.225 -1.914 -2.310) 6.024 71.101 ( 0.442 0.346 3.881) 3.921 71.466 ( 0.461 0.866 -2.358) 2.554 71.758 ( 3.023 -0.003 0.507) 3.066 ======================= Grid point 22 (16/231) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -15.812 -2.635 1.143) 16.070 2.705 ( -18.432 -7.364 9.949) 22.203 3.057 ( 2.554 5.038 1.623) 5.877 3.376 ( -4.618 -2.954 6.078) 8.185 3.883 ( -15.029 -3.359 -3.971) 15.903 4.166 ( 10.064 -0.302 -13.848) 17.121 5.385 ( 3.037 -0.363 -1.399) 3.363 5.766 ( 4.260 3.065 -3.329) 6.215 6.160 ( 9.523 -3.290 -3.443) 10.647 6.697 ( -8.620 6.613 -1.193) 10.930 7.244 ( 0.043 1.436 -4.521) 4.744 7.678 ( -3.282 -5.284 12.384) 13.858 10.254 ( -6.474 5.658 -4.869) 9.881 11.108 ( -13.226 -11.466 1.925) 17.610 11.916 ( 5.241 -1.533 1.624) 5.696 12.074 ( -0.128 4.855 0.411) 4.874 12.475 ( -8.667 -3.099 0.157) 9.206 12.519 ( -7.517 -3.592 0.213) 8.334 31.821 ( 1.047 0.008 -0.629) 1.221 31.922 ( 1.763 0.516 0.481) 1.898 32.052 ( 0.172 0.054 -0.056) 0.189 32.054 ( 0.437 0.628 0.880) 1.166 32.808 ( 1.072 0.462 -0.905) 1.477 32.891 ( 1.455 0.293 0.652) 1.621 36.306 ( -0.367 0.120 -0.242) 0.455 36.339 ( -0.849 -0.536 0.367) 1.069 36.402 ( 0.525 0.281 0.275) 0.655 36.423 ( 0.817 0.099 -0.644) 1.045 68.814 ( 0.345 0.042 0.004) 0.348 68.849 ( 1.046 0.220 0.095) 1.073 70.157 ( -0.629 -0.191 0.129) 0.670 70.292 ( -0.055 0.039 -0.064) 0.093 70.776 ( -6.934 -2.176 -1.784) 7.483 71.113 ( -0.832 -0.383 5.484) 5.560 71.467 ( 0.316 0.396 -4.318) 4.348 71.834 ( 4.778 1.216 0.507) 4.956 ======================= Grid point 23 (17/231) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -19.771 -3.497 -0.013) 20.078 2.284 ( -26.282 -7.187 10.393) 29.162 3.138 ( 0.389 3.967 0.823) 4.070 3.312 ( -8.347 -4.654 0.857) 9.595 3.429 ( -21.967 -5.918 -2.092) 22.846 4.310 ( 12.311 -0.218 -9.747) 15.704 5.422 ( 0.823 0.744 -0.484) 1.211 5.908 ( 8.903 3.719 -2.997) 10.104 6.237 ( 6.897 -8.826 -3.826) 11.837 6.669 ( -2.643 10.609 -1.785) 11.077 7.155 ( -8.070 -2.291 -7.561) 11.293 7.648 ( -1.783 -2.006 15.490) 15.721 10.175 ( -6.151 3.946 -4.204) 8.431 10.784 ( -12.888 -9.288 1.622) 15.969 11.981 ( 2.840 -0.947 2.415) 3.846 12.107 ( -0.461 2.488 -0.671) 2.617 12.279 ( -10.550 -2.353 0.229) 10.811 12.340 ( -8.841 -3.703 0.386) 9.593 31.839 ( 1.196 0.115 -0.583) 1.335 31.963 ( 2.128 0.537 0.429) 2.236 32.056 ( 0.214 0.095 -0.041) 0.238 32.072 ( 0.610 0.536 1.111) 1.376 32.831 ( 1.362 0.383 -0.765) 1.608 32.925 ( 1.794 0.489 0.324) 1.887 36.300 ( -0.310 0.064 -0.173) 0.361 36.322 ( -0.721 -0.358 0.286) 0.854 36.416 ( 0.533 0.307 0.246) 0.662 36.433 ( 0.567 -0.071 -0.651) 0.866 68.824 ( 0.627 0.161 0.019) 0.648 68.871 ( 1.250 0.243 0.038) 1.274 70.147 ( -0.617 0.110 0.180) 0.652 70.289 ( -0.072 -0.564 -0.108) 0.579 70.626 ( -7.395 -1.782 -1.297) 7.716 71.112 ( -1.537 -0.517 7.037) 7.221 71.452 ( -0.107 0.058 -5.892) 5.893 71.938 ( 5.326 1.455 0.312) 5.529 ======================= Grid point 24 (18/231) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -23.451 -3.495 -0.807) 23.723 1.765 ( -31.161 -4.785 7.848) 32.488 2.636 ( -40.960 -8.966 -8.357) 42.755 3.188 ( 0.075 2.207 -0.183) 2.216 3.363 ( -0.029 -0.914 5.143) 5.224 4.504 ( 13.228 0.201 -4.004) 13.822 5.413 ( -2.084 0.210 -0.883) 2.274 6.094 ( 9.974 1.908 -0.965) 10.201 6.206 ( 0.669 -6.195 -1.123) 6.331 6.768 ( -1.861 10.727 -8.610) 13.881 6.911 ( -7.688 -7.716 1.521) 10.998 7.671 ( -1.379 0.969 8.639) 8.802 10.093 ( -5.093 1.552 -2.363) 5.825 10.517 ( -10.577 -4.702 1.271) 11.645 11.997 ( -2.242 -0.194 1.457) 2.681 12.046 ( -7.807 -2.603 -0.258) 8.234 12.144 ( -3.149 2.232 -1.387) 4.102 12.182 ( -4.638 -2.621 1.575) 5.555 31.858 ( 1.119 0.092 -0.370) 1.182 32.005 ( 2.065 0.339 0.270) 2.110 32.061 ( 0.231 0.101 -0.031) 0.254 32.092 ( 0.638 0.331 1.051) 1.273 32.855 ( 1.417 0.244 -0.556) 1.541 32.961 ( 1.749 0.361 -0.011) 1.786 36.296 ( -0.217 0.011 -0.080) 0.231 36.309 ( -0.575 -0.159 0.161) 0.618 36.428 ( 0.435 0.267 0.207) 0.551 36.437 ( 0.337 -0.188 -0.511) 0.641 68.837 ( 0.770 0.150 0.005) 0.785 68.896 ( 1.341 0.190 -0.018) 1.355 70.140 ( -0.461 0.276 0.161) 0.561 70.279 ( -0.092 -0.835 -0.116) 0.848 70.486 ( -6.884 -0.926 -0.707) 6.982 71.107 ( -1.638 -0.307 7.551) 7.732 71.423 ( -0.410 -0.014 -6.544) 6.556 72.039 ( 4.823 0.932 0.111) 4.913 ======================= Grid point 25 (19/231) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -26.230 0.000 0.000) 26.230 1.198 ( -33.979 0.000 0.000) 33.979 1.788 ( -49.010 0.000 0.000) 49.010 3.204 ( 0.676 -0.000 -0.000) 0.676 3.366 ( -0.436 0.000 0.000) 0.436 4.718 ( 11.914 -0.000 -0.000) 11.914 5.366 ( -2.529 0.000 0.000) 2.529 6.162 ( -1.454 0.000 0.000) 1.454 6.262 ( 7.850 -0.000 -0.000) 7.850 6.531 ( -17.411 0.000 0.000) 17.411 6.982 ( 8.454 -0.000 -0.000) 8.454 7.659 ( -2.714 0.000 0.000) 2.714 10.023 ( -3.197 0.000 0.000) 3.197 10.343 ( -7.605 0.000 0.000) 7.605 11.888 ( -7.424 0.000 0.000) 7.424 11.915 ( -6.339 0.000 0.000) 6.339 12.127 ( 0.286 -0.000 -0.000) 0.286 12.148 ( -0.578 0.000 0.000) 0.578 31.875 ( 0.852 -0.000 -0.000) 0.852 32.039 ( 1.608 -0.000 -0.000) 1.608 32.065 ( 0.187 -0.000 -0.000) 0.187 32.106 ( 0.542 -0.000 -0.000) 0.542 32.877 ( 1.135 -0.000 -0.000) 1.135 32.989 ( 1.371 -0.000 -0.000) 1.371 36.293 ( -0.119 0.000 0.000) 0.119 36.300 ( -0.420 0.000 0.000) 0.420 36.436 ( 0.290 -0.000 -0.000) 0.290 36.438 ( 0.182 -0.000 -0.000) 0.182 68.851 ( 0.700 -0.000 -0.000) 0.700 68.919 ( 1.186 -0.000 -0.000) 1.186 70.136 ( -0.259 0.000 0.000) 0.259 70.272 ( -0.039 0.000 0.000) 0.039 70.374 ( -5.425 0.000 0.000) 5.425 71.103 ( -1.044 0.000 0.000) 1.044 71.395 ( -0.738 0.000 0.000) 0.738 72.116 ( 3.598 -0.000 -0.000) 3.598 ======================= Grid point 28 (20/231) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 0.000 23.525 17.096) 29.081 1.249 ( -0.000 34.437 -12.622) 36.677 2.248 ( -0.000 42.696 23.422) 48.699 3.146 ( -0.000 -1.765 -4.350) 4.695 3.340 ( -0.000 2.159 -7.996) 8.282 4.591 ( 0.000 -12.919 -5.283) 13.958 5.222 ( -0.000 0.236 -12.090) 12.092 6.049 ( -0.000 2.662 -18.939) 19.125 6.332 ( 0.000 5.125 8.861) 10.236 6.347 ( -0.000 1.835 -1.838) 2.597 7.029 ( 0.000 -7.068 6.363) 9.511 7.963 ( 0.000 2.226 15.278) 15.439 10.008 ( -0.000 1.011 0.583) 1.167 10.416 ( -0.000 11.892 0.148) 11.893 11.921 ( -0.000 7.601 -0.400) 7.611 11.963 ( -0.000 8.081 0.351) 8.088 12.070 ( -0.000 -1.470 -3.644) 3.929 12.173 ( -0.000 2.182 -0.303) 2.203 31.867 ( 0.000 -1.097 -0.020) 1.097 32.034 ( 0.000 -1.592 0.011) 1.592 32.057 ( -0.000 -0.299 -0.542) 0.619 32.082 ( -0.000 1.068 -2.828) 3.023 32.889 ( 0.000 -2.577 1.890) 3.196 32.994 ( 0.000 -1.678 1.412) 2.193 36.290 ( -0.000 0.054 -0.206) 0.212 36.304 ( -0.000 0.587 -0.087) 0.593 36.435 ( 0.000 -0.370 0.139) 0.395 36.437 ( 0.000 -0.240 0.110) 0.264 68.849 ( 0.000 -0.726 0.188) 0.750 68.910 ( 0.000 -1.412 -0.193) 1.426 70.136 ( -0.000 0.160 0.076) 0.178 70.285 ( -0.000 0.418 0.151) 0.445 70.374 ( -0.000 5.414 -1.545) 5.630 70.897 ( -0.000 8.828 -17.490) 19.592 71.602 ( 0.000 -5.383 15.754) 16.649 72.097 ( 0.000 -3.948 0.008) 3.948 ======================= Grid point 29 (21/231) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 4.086 24.383 5.485) 25.324 1.633 ( 8.462 28.345 -4.766) 29.963 2.843 ( 12.726 32.038 17.863) 38.826 3.135 ( 2.515 -1.261 -5.146) 5.865 3.302 ( -2.765 4.546 -7.657) 9.324 4.447 ( -0.102 -12.233 -1.754) 12.358 5.264 ( 8.256 -0.342 -10.292) 13.198 5.984 ( 0.011 -4.048 -8.182) 9.128 6.239 ( -5.387 -3.311 2.253) 6.713 6.621 ( 16.107 4.726 -0.279) 16.788 6.960 ( -3.710 -2.251 4.281) 6.096 7.933 ( -11.328 4.188 9.168) 15.163 10.079 ( 6.255 1.582 1.173) 6.558 10.542 ( -0.043 13.128 1.138) 13.178 11.994 ( -1.629 1.309 -1.832) 2.779 12.031 ( 2.846 7.217 -0.795) 7.799 12.114 ( 4.753 5.682 -0.846) 7.456 12.199 ( -0.220 4.298 -0.466) 4.329 31.855 ( -0.019 -1.315 0.113) 1.320 32.007 ( -1.079 -1.690 -0.102) 2.008 32.054 ( 0.182 -0.327 -0.580) 0.690 32.078 ( -0.411 0.551 -1.746) 1.876 32.866 ( -0.491 -2.153 1.071) 2.454 32.973 ( -0.932 -1.841 1.038) 2.310 36.292 ( 0.242 0.093 -0.199) 0.327 36.310 ( 0.031 0.689 -0.102) 0.697 36.429 ( -0.275 -0.355 -0.023) 0.449 36.437 ( 0.244 -0.460 0.422) 0.670 68.840 ( -0.318 -0.710 0.198) 0.803 68.892 ( -0.390 -1.355 -0.322) 1.446 70.142 ( 0.245 0.343 -0.025) 0.422 70.279 ( -0.597 0.488 0.118) 0.780 70.466 ( 4.036 5.709 -1.043) 7.069 70.931 ( 1.424 6.667 -12.843) 14.541 71.594 ( -1.434 -3.647 11.734) 12.371 72.040 ( -1.754 -4.486 -0.018) 4.816 ======================= Grid point 30 (22/231) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 7.166 19.392 4.341) 21.124 2.028 ( 10.229 24.536 -9.800) 28.332 3.082 ( -0.236 -2.208 -14.518) 14.687 3.180 ( 3.356 2.535 -3.206) 5.289 3.573 ( 11.820 25.492 17.080) 32.883 4.348 ( 1.226 -10.744 5.098) 11.955 5.355 ( 4.951 -0.124 -5.872) 7.682 5.911 ( 0.209 -8.667 -2.340) 8.980 6.120 ( -0.738 -8.349 -0.426) 8.393 6.786 ( -0.988 -0.881 -0.072) 1.325 7.049 ( 12.632 6.297 0.276) 14.117 7.769 ( -15.276 5.235 3.677) 16.561 10.246 ( 8.237 4.363 2.517) 9.655 10.687 ( 2.825 11.447 0.535) 11.803 11.947 ( -2.075 -1.384 -2.057) 3.233 12.129 ( 1.603 2.308 -0.459) 2.848 12.265 ( 4.361 8.372 -0.176) 9.441 12.290 ( 4.641 8.260 -0.412) 9.483 31.840 ( -0.185 -1.445 0.257) 1.479 31.968 ( -1.443 -1.638 -0.170) 2.190 32.051 ( 0.001 -0.196 -0.644) 0.673 32.068 ( -0.554 0.244 -0.933) 1.112 32.842 ( -0.445 -1.641 0.757) 1.862 32.936 ( -1.556 -1.788 0.395) 2.402 36.299 ( 0.430 0.196 -0.133) 0.491 36.317 ( 0.112 0.710 -0.146) 0.734 36.419 ( -0.479 -0.371 -0.058) 0.608 36.437 ( 0.118 -0.675 0.575) 0.894 68.827 ( -0.437 -0.576 0.164) 0.741 68.869 ( -0.557 -1.181 -0.322) 1.345 70.149 ( 0.079 0.501 -0.107) 0.518 70.282 ( 0.298 0.328 0.190) 0.482 70.601 ( 5.267 5.723 -0.383) 7.788 70.973 ( 1.682 4.785 -9.411) 10.691 71.577 ( -1.445 -2.465 8.467) 8.937 71.952 ( -3.076 -4.665 -0.147) 5.590 ======================= Grid point 31 (23/231) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 6.623 14.596 2.935) 16.295 2.378 ( 10.956 18.067 -13.759) 25.214 2.990 ( 0.346 -3.123 -12.948) 13.324 3.270 ( 3.700 6.539 -3.050) 8.108 3.987 ( 5.378 12.114 10.779) 17.084 4.320 ( 2.031 -7.416 12.436) 14.621 5.375 ( -0.081 -0.590 -1.145) 1.291 5.783 ( -3.262 -8.009 -1.840) 8.841 6.079 ( 5.257 -9.152 -0.887) 10.592 6.760 ( -1.242 4.219 -3.316) 5.508 7.320 ( 11.599 1.067 2.358) 11.884 7.573 ( -13.258 5.875 -0.970) 14.534 10.429 ( 2.947 9.400 3.658) 10.509 10.881 ( 10.098 6.464 -1.628) 12.100 11.886 ( -2.062 -2.893 -0.396) 3.575 12.143 ( -1.512 1.913 -0.361) 2.465 12.432 ( 5.275 7.643 -0.299) 9.292 12.459 ( 5.928 6.435 -0.176) 8.751 31.823 ( -0.279 -1.421 0.259) 1.471 31.927 ( -1.390 -1.369 -0.124) 1.955 32.045 ( -0.250 0.063 -0.827) 0.867 32.059 ( -0.369 0.060 -0.180) 0.415 32.825 ( -0.314 -1.174 0.832) 1.473 32.891 ( -1.601 -1.507 -0.288) 2.217 36.309 ( 0.409 0.384 -0.015) 0.561 36.327 ( 0.368 0.613 -0.241) 0.755 36.406 ( -0.548 -0.363 -0.043) 0.659 36.431 ( -0.201 -0.848 0.566) 1.040 68.816 ( -0.322 -0.392 0.138) 0.525 68.848 ( -0.559 -0.971 -0.266) 1.152 70.155 ( 0.172 0.437 -0.100) 0.480 70.293 ( 0.366 0.419 0.167) 0.581 70.749 ( 5.587 5.247 0.026) 7.665 71.010 ( 1.536 3.323 -6.660) 7.600 71.559 ( -1.387 -1.794 5.855) 6.279 71.848 ( -3.499 -4.508 -0.281) 5.714 ======================= Grid point 32 (24/231) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 5.229 9.800 1.282) 11.181 2.642 ( 10.112 9.376 -12.981) 18.939 2.948 ( 0.975 -0.147 -7.939) 8.000 3.422 ( 5.703 10.997 -4.288) 13.109 4.075 ( -2.867 -0.568 5.508) 6.235 4.307 ( -3.566 -6.919 14.275) 16.259 5.352 ( -1.709 -0.207 -0.611) 1.827 5.694 ( 2.373 -5.968 -0.461) 6.439 6.067 ( 0.272 -2.895 -1.545) 3.293 6.820 ( 4.276 5.137 -4.246) 7.919 7.331 ( -9.655 -0.290 3.813) 10.385 7.570 ( 6.310 2.765 -2.263) 7.251 10.541 ( -3.982 12.843 2.175) 13.621 11.139 ( 15.540 1.899 -2.727) 15.892 11.813 ( -2.539 -5.314 2.014) 6.225 12.124 ( -3.304 3.388 -0.205) 4.737 12.574 ( 4.338 4.165 -0.247) 6.019 12.602 ( 4.608 3.887 -0.124) 6.030 31.806 ( -0.174 -1.242 0.104) 1.259 31.895 ( -0.965 -0.929 0.018) 1.339 32.039 ( -0.260 0.321 -0.772) 0.875 32.055 ( -0.244 -0.012 0.239) 0.342 32.813 ( -0.537 -0.725 0.920) 1.289 32.855 ( -0.752 -1.099 -0.716) 1.512 36.318 ( 0.096 0.586 0.026) 0.594 36.341 ( 0.784 0.424 -0.297) 0.940 36.394 ( -0.431 -0.286 0.024) 0.518 36.418 ( -0.510 -0.953 0.449) 1.171 68.810 ( -0.044 -0.225 0.134) 0.265 68.830 ( -0.458 -0.752 -0.196) 0.902 70.162 ( 0.334 0.180 -0.070) 0.386 70.302 ( -0.048 0.691 0.103) 0.701 70.887 ( 5.007 4.033 -0.002) 6.429 71.039 ( 0.984 2.213 -4.123) 4.782 71.535 ( -1.944 -1.059 3.461) 4.108 71.752 ( -2.329 -4.070 -0.140) 4.691 ======================= Grid point 33 (25/231) ======================= q-point: ( 0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 1.522 4.557 1.681) 5.090 2.818 ( 8.490 1.840 -6.051) 10.587 2.948 ( 0.168 3.912 -6.519) 7.605 3.626 ( 6.581 10.976 -9.535) 15.959 3.974 ( -8.673 -0.260 2.329) 8.984 4.193 ( -4.862 -9.713 16.762) 19.974 5.312 ( -0.934 -0.998 -3.218) 3.497 5.713 ( 4.824 -5.863 0.439) 7.605 6.028 ( -3.373 3.437 -3.529) 5.970 6.955 ( 5.600 6.521 -2.758) 9.027 7.174 ( -8.275 -1.898 2.647) 8.893 7.671 ( 4.165 -0.669 0.511) 4.249 10.569 ( -7.761 13.216 -1.041) 15.362 11.403 ( 15.035 -0.586 -2.055) 15.186 11.695 ( -4.759 -8.560 3.278) 10.328 12.107 ( -3.423 5.209 0.527) 6.256 12.653 ( 1.895 1.009 -0.085) 2.149 12.682 ( 1.890 1.004 -0.125) 2.144 31.795 ( 0.136 -0.930 -0.125) 0.948 31.878 ( -0.250 -0.455 0.187) 0.551 32.038 ( -0.071 0.484 -0.572) 0.753 32.052 ( -0.192 0.012 0.435) 0.476 32.798 ( -0.723 -0.195 0.250) 0.790 32.842 ( 0.436 -0.784 -0.210) 0.921 36.323 ( -0.242 0.596 -0.110) 0.652 36.358 ( 0.859 0.230 -0.148) 0.902 36.387 ( -0.110 -0.097 0.133) 0.198 36.400 ( -0.548 -0.915 0.219) 1.089 68.811 ( 0.273 -0.112 0.128) 0.321 68.817 ( -0.258 -0.515 -0.120) 0.589 70.168 ( 0.290 -0.136 -0.043) 0.323 70.306 ( -0.437 0.896 0.051) 0.998 70.981 ( 2.056 1.488 -1.420) 2.908 71.061 ( 0.860 1.862 -0.600) 2.137 71.500 ( -2.343 0.059 1.001) 2.549 71.698 ( 0.287 -3.218 0.399) 3.255 ======================= Grid point 34 (26/231) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -6.418 0.656 2.225) 6.825 2.923 ( 4.604 -2.239 1.290) 5.280 2.989 ( 1.309 5.711 -3.709) 6.935 3.645 ( -7.482 0.465 -9.191) 11.861 3.922 ( 1.516 3.447 -4.796) 6.097 4.124 ( -2.710 -2.747 15.952) 16.412 5.284 ( 1.374 -2.489 -5.375) 6.081 5.718 ( 2.249 -4.541 0.738) 5.121 6.012 ( -1.456 4.771 -4.938) 7.019 7.010 ( -9.349 4.199 0.793) 10.280 7.124 ( 6.484 1.079 -0.501) 6.592 7.704 ( 1.427 -3.437 3.129) 4.862 10.536 ( -9.550 12.109 -3.585) 15.834 11.482 ( -7.560 -11.721 4.349) 14.610 11.631 ( 10.931 -0.916 -2.055) 11.160 12.117 ( -2.254 5.530 1.331) 6.118 12.655 ( -1.674 -0.969 0.105) 1.937 12.682 ( -1.717 -1.193 -0.131) 2.095 31.793 ( 0.559 -0.560 -0.303) 0.847 31.879 ( 0.609 -0.073 0.293) 0.679 32.042 ( 0.171 0.456 -0.413) 0.639 32.052 ( -0.101 0.144 0.586) 0.612 32.791 ( -0.125 0.204 -0.356) 0.429 32.849 ( 1.012 -0.481 0.317) 1.165 36.321 ( -0.473 0.458 -0.244) 0.702 36.365 ( -0.372 -0.399 0.407) 0.680 36.387 ( 0.269 -0.077 0.071) 0.288 36.394 ( 0.617 -0.103 -0.254) 0.675 68.809 ( -0.043 -0.290 -0.056) 0.298 68.819 ( 0.628 -0.029 0.112) 0.638 70.168 ( 0.029 -0.308 -0.011) 0.309 70.305 ( -0.610 0.795 0.013) 1.002 70.964 ( -3.147 -0.462 -2.042) 3.780 71.102 ( 1.316 0.951 1.887) 2.490 71.474 ( -1.196 0.821 -0.978) 1.750 71.702 ( 2.748 -1.655 0.687) 3.281 ======================= Grid point 35 (27/231) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -13.107 -0.427 1.514) 13.202 2.894 ( -6.290 -3.577 2.572) 7.680 3.083 ( 2.611 5.655 4.048) 7.428 3.464 ( -8.107 -2.183 -2.056) 8.644 3.958 ( 5.855 -1.341 -9.998) 11.664 4.091 ( -9.279 1.260 5.659) 10.941 5.278 ( 4.490 -3.044 -5.458) 7.695 5.752 ( 3.129 1.748 3.116) 4.749 6.018 ( 1.520 -0.107 -5.979) 6.170 6.891 ( -7.794 2.027 1.638) 8.218 7.235 ( 2.530 5.045 -3.750) 6.776 7.684 ( -0.144 -5.555 6.707) 8.710 10.460 ( -10.175 9.840 -4.225) 14.772 11.209 ( -11.304 -11.654 2.974) 16.506 11.787 ( 8.505 -0.978 -0.287) 8.566 12.139 ( -1.497 4.129 1.172) 4.546 12.579 ( -5.780 -1.468 0.210) 5.967 12.602 ( -5.454 -2.246 -0.106) 5.899 31.801 ( 0.957 -0.240 -0.355) 1.048 31.899 ( 1.428 0.146 0.297) 1.466 32.048 ( 0.262 0.139 -0.267) 0.399 32.058 ( 0.185 0.425 0.633) 0.785 32.795 ( 0.550 0.288 -0.534) 0.819 32.869 ( 1.461 -0.124 0.444) 1.532 36.315 ( -0.537 0.299 -0.243) 0.661 36.349 ( -0.829 -0.526 0.356) 1.044 36.397 ( 0.558 0.172 0.267) 0.642 36.407 ( 0.909 -0.014 -0.482) 1.029 68.809 ( 0.229 -0.097 -0.009) 0.249 68.833 ( 0.923 0.025 0.075) 0.926 70.163 ( -0.250 -0.217 0.031) 0.333 70.300 ( -0.638 0.350 -0.018) 0.728 70.868 ( -6.109 -0.905 -1.345) 6.320 71.130 ( 0.445 0.048 2.627) 2.665 71.461 ( -0.550 0.447 -2.084) 2.201 71.761 ( 4.653 -0.056 0.552) 4.686 ======================= Grid point 36 (28/231) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -17.898 -0.675 0.575) 17.920 2.657 ( -18.750 -2.614 3.605) 19.272 3.196 ( 1.005 6.382 3.480) 7.338 3.332 ( -3.089 -4.608 0.568) 5.577 3.809 ( -23.641 -1.453 -1.560) 23.737 4.057 ( 11.187 -1.498 -6.427) 12.988 5.350 ( 6.916 -0.721 -2.202) 7.294 5.860 ( 2.347 5.876 2.592) 6.838 6.026 ( 6.554 -6.038 -4.693) 10.072 6.809 ( -5.109 3.133 1.053) 6.085 7.242 ( -4.770 1.988 -4.982) 7.178 7.669 ( 0.892 -3.119 7.298) 7.987 10.352 ( -9.869 5.514 -2.778) 11.641 10.917 ( -12.148 -7.442 1.575) 14.333 11.901 ( 5.837 -0.597 0.397) 5.881 12.150 ( -1.365 2.035 0.459) 2.493 12.437 ( -9.328 -0.704 0.171) 9.356 12.461 ( -8.260 -2.092 -0.029) 8.521 31.817 ( 1.207 -0.048 -0.255) 1.234 31.931 ( 2.020 0.170 0.198) 2.037 32.052 ( 0.255 0.032 -0.092) 0.273 32.070 ( 0.530 0.333 0.456) 0.775 32.810 ( 1.069 0.171 -0.364) 1.142 32.898 ( 1.796 0.096 0.250) 1.816 36.308 ( -0.484 0.132 -0.135) 0.519 36.332 ( -0.762 -0.270 0.189) 0.830 36.410 ( 0.586 0.237 0.296) 0.698 36.418 ( 0.751 -0.137 -0.461) 0.892 68.815 ( 0.501 0.017 0.009) 0.501 68.852 ( 1.163 0.044 0.028) 1.164 70.157 ( -0.395 0.002 0.057) 0.399 70.290 ( -0.610 -0.120 -0.038) 0.623 70.739 ( -7.417 -0.642 -0.697) 7.477 71.141 ( -0.235 -0.125 2.504) 2.519 71.445 ( -0.707 0.039 -2.110) 2.225 71.854 ( 5.582 0.450 0.245) 5.606 ======================= Grid point 37 (29/231) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -21.606 0.000 0.000) 21.606 2.257 ( -26.728 0.000 0.000) 26.728 3.197 ( -23.326 0.000 0.000) 23.326 3.222 ( -2.471 0.000 0.000) 2.471 3.392 ( -9.582 0.000 0.000) 9.582 4.256 ( 13.940 -0.000 -0.000) 13.940 5.426 ( 1.632 -0.000 -0.000) 1.632 5.953 ( 6.258 -0.000 -0.000) 6.258 6.109 ( 6.464 -0.000 -0.000) 6.464 6.787 ( 0.233 -0.000 -0.000) 0.233 7.086 ( -12.227 0.000 0.000) 12.227 7.693 ( 0.930 -0.000 -0.000) 0.930 10.216 ( -8.237 0.000 0.000) 8.237 10.680 ( -11.484 0.000 0.000) 11.484 11.979 ( 3.368 -0.000 -0.000) 3.368 12.130 ( -2.608 0.000 0.000) 2.608 12.267 ( -9.400 0.000 0.000) 9.400 12.294 ( -9.376 0.000 0.000) 9.376 31.837 ( 1.257 -0.000 -0.000) 1.257 31.970 ( 2.245 -0.000 -0.000) 2.245 32.056 ( 0.274 -0.000 -0.000) 0.274 32.084 ( 0.702 -0.000 -0.000) 0.702 32.831 ( 1.378 -0.000 -0.000) 1.378 32.931 ( 1.890 -0.000 -0.000) 1.890 36.301 ( -0.363 0.000 0.000) 0.363 36.319 ( -0.666 0.000 0.000) 0.666 36.422 ( 0.534 -0.000 -0.000) 0.534 36.427 ( 0.526 -0.000 -0.000) 0.526 68.825 ( 0.703 -0.000 -0.000) 0.703 68.873 ( 1.328 -0.000 -0.000) 1.328 70.150 ( -0.454 0.000 0.000) 0.454 70.280 ( -0.449 0.000 0.000) 0.449 70.605 ( -7.584 0.000 0.000) 7.584 71.137 ( -0.736 0.000 0.000) 0.736 71.425 ( -0.929 0.000 0.000) 0.929 71.954 ( 5.565 -0.000 -0.000) 5.565 ======================= Grid point 42 (30/231) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -0.000 29.745 -13.328) 32.595 1.799 ( 0.000 21.132 16.835) 27.018 3.050 ( -0.000 14.816 -1.237) 14.867 3.074 ( -0.000 -1.868 -4.813) 5.163 3.408 ( -0.000 19.918 5.544) 20.675 4.328 ( 0.000 -10.250 -0.495) 10.262 5.122 ( -0.000 -0.337 -14.076) 14.080 5.916 ( 0.000 -8.319 -1.893) 8.531 6.293 ( -0.000 -3.806 -7.901) 8.770 6.504 ( 0.000 5.133 8.924) 10.295 6.992 ( 0.000 0.691 2.289) 2.391 8.089 ( 0.000 1.299 6.996) 7.115 10.028 ( 0.000 0.510 0.578) 0.771 10.701 ( -0.000 15.801 1.896) 15.914 12.015 ( -0.000 -1.429 -2.861) 3.198 12.055 ( -0.000 4.959 0.046) 4.959 12.151 ( -0.000 10.472 0.426) 10.481 12.250 ( -0.000 6.831 -1.026) 6.907 31.842 ( 0.000 -1.334 0.007) 1.334 31.999 ( 0.000 -1.922 0.053) 1.923 32.046 ( -0.000 -0.328 -0.759) 0.826 32.081 ( -0.000 0.322 -1.157) 1.201 32.851 ( 0.000 -2.237 0.789) 2.372 32.965 ( 0.000 -2.051 0.916) 2.246 36.290 ( -0.000 0.089 -0.217) 0.235 36.317 ( -0.000 0.831 -0.103) 0.838 36.427 ( 0.000 -0.466 0.159) 0.493 36.432 ( 0.000 -0.395 0.256) 0.471 68.836 ( 0.000 -0.709 0.263) 0.756 68.880 ( 0.000 -1.306 -0.440) 1.378 70.142 ( -0.000 0.393 0.000) 0.393 70.293 ( 0.000 0.233 0.177) 0.293 70.484 ( -0.000 6.774 -1.685) 6.980 70.943 ( -0.000 6.509 -10.265) 12.155 71.608 ( 0.000 -3.922 9.767) 10.525 72.009 ( 0.000 -4.879 0.111) 4.880 ======================= Grid point 43 (31/231) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 0.788 22.242 -5.348) 22.890 2.126 ( 5.383 21.448 5.085) 22.690 3.012 ( -1.549 -2.228 -16.319) 16.543 3.106 ( 4.775 0.017 -6.197) 7.823 3.766 ( 4.679 27.860 17.099) 33.022 4.252 ( 0.795 -7.450 4.887) 8.945 5.162 ( 10.181 -1.451 -11.658) 15.546 5.805 ( -0.707 -11.407 0.621) 11.446 6.133 ( -7.031 -5.947 -4.883) 10.423 6.693 ( 9.505 2.127 4.381) 10.680 7.017 ( 0.351 5.305 0.108) 5.317 8.033 ( -9.139 0.721 3.552) 9.831 10.109 ( 8.395 0.725 0.759) 8.460 10.848 ( -2.275 16.267 1.686) 16.511 11.968 ( -2.315 -1.439 -1.309) 3.024 12.115 ( 2.139 2.173 -0.319) 3.065 12.285 ( 3.000 10.161 0.248) 10.598 12.334 ( 1.075 9.190 -0.954) 9.302 31.829 ( -0.054 -1.385 0.064) 1.388 31.971 ( -0.946 -1.804 0.014) 2.037 32.042 ( 0.267 -0.354 -0.696) 0.825 32.076 ( -0.393 0.146 -0.688) 0.805 32.832 ( -0.122 -1.875 0.619) 1.978 32.940 ( -0.889 -2.013 0.461) 2.248 36.293 ( 0.312 0.128 -0.187) 0.386 36.325 ( -0.038 0.911 -0.123) 0.920 36.421 ( -0.266 -0.449 0.068) 0.526 36.430 ( 0.128 -0.593 0.434) 0.746 68.828 ( -0.264 -0.595 0.256) 0.699 68.864 ( -0.289 -1.135 -0.427) 1.247 70.149 ( 0.257 0.431 -0.062) 0.505 70.290 ( -0.442 0.388 0.174) 0.614 70.579 ( 3.576 6.519 -1.366) 7.560 70.973 ( 0.519 5.411 -7.908) 9.596 71.597 ( -0.726 -3.486 7.500) 8.302 71.946 ( -1.706 -4.874 0.116) 5.165 ======================= Grid point 44 (32/231) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 3.888 14.123 -11.108) 18.384 2.421 ( 4.420 17.153 4.480) 18.271 2.904 ( -0.226 -0.564 -16.848) 16.859 3.213 ( 7.801 3.039 -3.054) 8.911 4.070 ( 1.179 5.190 9.570) 10.951 4.297 ( 2.989 6.705 12.725) 14.691 5.289 ( 8.626 -3.130 -2.440) 9.495 5.702 ( 2.181 -9.543 -4.462) 10.758 5.948 ( -3.729 -7.203 -2.656) 8.535 6.809 ( 0.522 3.437 -1.402) 3.748 7.151 ( 8.945 3.294 1.895) 9.719 7.855 ( -12.923 1.580 1.036) 13.061 10.322 ( 13.973 1.997 1.301) 14.175 10.955 ( -3.537 14.896 0.023) 15.310 11.903 ( -2.824 -2.592 0.570) 3.875 12.160 ( 1.182 1.555 -0.573) 2.036 12.439 ( 3.623 8.607 -0.044) 9.338 12.452 ( 2.700 8.048 -0.456) 8.501 31.813 ( -0.172 -1.372 0.096) 1.386 31.936 ( -1.237 -1.484 0.016) 1.932 32.041 ( 0.204 -0.337 -0.558) 0.683 32.068 ( -0.465 0.188 -0.368) 0.622 32.817 ( 0.013 -1.392 0.594) 1.513 32.902 ( -1.424 -1.724 -0.034) 2.236 36.302 ( 0.601 0.207 -0.126) 0.648 36.332 ( -0.068 0.924 -0.167) 0.941 36.411 ( -0.456 -0.436 0.053) 0.633 36.427 ( -0.007 -0.808 0.482) 0.941 68.819 ( -0.346 -0.428 0.210) 0.589 68.846 ( -0.425 -0.931 -0.334) 1.076 70.156 ( 0.115 0.345 -0.079) 0.373 70.293 ( 0.217 0.568 0.180) 0.635 70.709 ( 4.910 5.731 -1.018) 7.614 71.005 ( 0.695 4.159 -5.728) 7.113 71.576 ( -0.753 -2.928 5.444) 6.227 71.858 ( -3.001 -4.544 -0.026) 5.446 ======================= Grid point 45 (33/231) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 6.907 4.518 -15.152) 17.254 2.642 ( 2.552 11.433 6.681) 13.486 2.888 ( 2.218 4.326 -12.835) 13.725 3.400 ( 8.521 8.287 -2.584) 12.164 4.079 ( 0.263 -6.973 8.650) 11.113 4.410 ( -5.400 4.943 8.295) 11.063 5.357 ( 2.474 -3.171 6.854) 7.947 5.624 ( -1.284 -3.954 -7.760) 8.804 5.920 ( 8.880 -5.549 -2.824) 10.845 6.828 ( -1.046 6.120 -4.443) 7.635 7.320 ( 7.278 -3.238 3.188) 8.580 7.672 ( -10.401 4.353 -0.232) 11.278 10.605 ( 12.913 5.261 2.187) 14.114 11.029 ( -1.399 10.860 -3.086) 11.377 11.821 ( -3.302 -4.774 2.609) 6.364 12.185 ( -0.349 2.509 -0.371) 2.560 12.558 ( 2.628 5.276 -0.432) 5.910 12.576 ( 3.504 5.208 0.047) 6.278 31.797 ( -0.200 -1.225 0.041) 1.242 31.903 ( -1.081 -1.047 0.086) 1.507 32.039 ( 0.100 -0.208 -0.472) 0.526 32.062 ( -0.363 0.273 -0.074) 0.460 32.809 ( 0.172 -0.942 0.634) 1.148 32.861 ( -1.418 -1.252 -0.404) 1.934 36.316 ( 0.745 0.334 -0.036) 0.817 36.339 ( -0.025 0.828 -0.256) 0.867 36.398 ( -0.472 -0.393 0.092) 0.621 36.417 ( -0.294 -0.952 0.412) 1.078 68.811 ( -0.221 -0.271 0.165) 0.387 68.829 ( -0.425 -0.724 -0.226) 0.870 70.160 ( 0.099 0.175 -0.049) 0.207 70.306 ( 0.386 0.718 0.123) 0.824 70.842 ( 4.914 4.519 -0.908) 6.738 71.035 ( 0.723 2.962 -3.590) 4.710 71.557 ( -0.648 -2.067 3.656) 4.250 71.759 ( -3.378 -4.097 -0.189) 5.313 ======================= Grid point 46 (34/231) ======================= q-point: ( 0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 9.601 -0.409 -11.362) 14.881 2.784 ( 0.917 5.448 8.289) 9.961 2.935 ( 2.215 5.581 -10.951) 12.489 3.620 ( 5.737 12.206 -5.801) 14.682 4.049 ( 1.065 -7.053 9.589) 11.951 4.284 ( -11.243 -2.750 5.358) 12.754 5.345 ( -3.735 -1.176 2.374) 4.580 5.581 ( 3.762 -4.488 -2.197) 6.254 6.025 ( 5.929 0.258 -3.851) 7.075 6.892 ( 3.642 5.926 -3.208) 7.660 7.297 ( -4.587 -5.325 1.864) 7.271 7.638 ( -0.136 4.015 0.746) 4.086 10.815 ( -1.435 12.768 0.989) 12.886 11.144 ( 10.614 1.995 -4.057) 11.536 11.707 ( -4.628 -7.764 3.834) 9.818 12.197 ( -1.593 3.618 0.204) 3.959 12.633 ( 1.945 2.186 -0.250) 2.936 12.660 ( 2.136 1.913 -0.047) 2.868 31.784 ( -0.035 -0.935 -0.065) 0.938 31.881 ( -0.606 -0.596 0.159) 0.865 32.038 ( 0.130 -0.011 -0.400) 0.421 32.059 ( -0.299 0.285 0.167) 0.445 32.807 ( -0.113 -0.410 0.522) 0.673 32.831 ( -0.518 -0.883 -0.461) 1.122 36.331 ( 0.300 0.627 0.008) 0.696 36.347 ( 0.408 0.434 -0.315) 0.674 36.389 ( -0.246 -0.264 0.163) 0.396 36.401 ( -0.547 -0.975 0.273) 1.151 68.808 ( 0.046 -0.156 0.129) 0.208 68.816 ( -0.319 -0.513 -0.135) 0.619 70.163 ( 0.155 -0.030 -0.027) 0.160 70.318 ( 0.041 0.806 0.053) 0.809 70.948 ( 3.409 2.651 -1.169) 4.474 71.062 ( 0.784 2.016 -1.395) 2.574 71.540 ( -1.262 -0.358 1.841) 2.261 71.672 ( -1.775 -3.873 -0.011) 4.261 ======================= Grid point 47 (35/231) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 6.096 -1.276 -4.025) 7.416 2.848 ( 1.089 0.387 4.033) 4.195 2.994 ( 2.494 4.954 -5.337) 7.697 3.716 ( -2.812 5.512 -9.467) 11.310 4.022 ( -8.781 2.636 -0.281) 9.172 4.152 ( 2.743 -5.410 14.776) 15.973 5.260 ( -3.715 -1.529 -2.653) 4.814 5.608 ( 4.694 -4.593 0.172) 6.570 6.075 ( -0.470 3.754 -4.219) 5.667 7.021 ( 5.016 1.581 0.715) 5.308 7.170 ( -4.672 0.181 -0.606) 4.714 7.671 ( 0.375 -0.146 1.625) 1.674 10.828 ( -10.287 13.459 -2.721) 17.157 11.371 ( 14.295 -1.289 -0.130) 14.353 11.535 ( -6.447 -9.534 2.560) 11.791 12.205 ( -1.971 3.700 0.717) 4.253 12.662 ( 0.130 0.236 0.004) 0.270 12.686 ( 0.154 -0.355 -0.165) 0.420 31.779 ( 0.305 -0.565 -0.142) 0.658 31.873 ( 0.081 -0.234 0.179) 0.306 32.040 ( 0.207 0.099 -0.301) 0.378 32.059 ( -0.201 0.261 0.293) 0.441 32.798 ( -0.611 0.077 -0.148) 0.634 32.827 ( 0.886 -0.634 0.142) 1.099 36.335 ( -0.508 0.647 -0.197) 0.846 36.361 ( 0.799 0.100 0.095) 0.811 36.383 ( -0.482 -0.814 -0.022) 0.946 36.387 ( 0.156 -0.055 0.165) 0.233 68.807 ( -0.131 -0.285 -0.055) 0.319 68.811 ( 0.364 -0.091 0.082) 0.384 70.164 ( 0.117 -0.162 -0.017) 0.201 70.323 ( -0.437 0.688 0.011) 0.815 70.988 ( -0.278 0.702 -1.355) 1.551 71.094 ( 1.256 1.113 0.375) 1.719 71.514 ( -2.537 0.923 -0.111) 2.702 71.640 ( 2.032 -2.807 0.644) 3.525 ======================= Grid point 48 (36/231) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -5.440 -0.391 0.287) 5.462 2.887 ( 2.762 -1.263 0.391) 3.062 3.080 ( 4.001 3.047 0.643) 5.070 3.594 ( -9.483 0.250 -5.245) 10.839 3.902 ( -3.575 -0.984 -1.059) 3.856 4.235 ( -0.972 2.136 6.582) 6.988 5.187 ( -0.296 -2.282 -3.802) 4.444 5.669 ( 6.258 -1.624 1.489) 6.635 6.056 ( -3.808 2.564 -3.280) 5.642 6.993 ( -4.226 -2.478 1.776) 5.211 7.229 ( 3.994 5.438 -1.955) 7.025 7.658 ( -0.622 -2.647 2.195) 3.495 10.735 ( -11.973 8.573 -2.802) 14.990 11.300 ( -9.734 -8.050 3.055) 12.996 11.603 ( 12.025 -0.515 -0.844) 12.066 12.205 ( -1.871 2.267 0.616) 3.003 12.640 ( -2.594 -0.469 0.156) 2.641 12.658 ( -2.765 -0.848 -0.188) 2.898 31.783 ( 0.705 -0.223 -0.131) 0.751 31.880 ( 0.855 -0.025 0.127) 0.864 32.044 ( 0.233 0.067 -0.153) 0.287 32.060 ( 0.027 0.199 0.243) 0.315 32.792 ( -0.078 0.130 -0.220) 0.267 32.843 ( 1.362 -0.233 0.198) 1.396 36.328 ( -0.674 0.311 -0.168) 0.761 36.360 ( -0.770 -0.333 0.302) 0.892 36.384 ( 1.021 -0.067 -0.152) 1.034 36.393 ( 0.467 0.036 0.004) 0.469 68.805 ( 0.081 -0.109 -0.016) 0.136 68.819 ( 0.690 -0.026 0.044) 0.692 70.163 ( -0.009 -0.133 -0.004) 0.133 70.317 ( -0.795 0.336 -0.003) 0.863 70.948 ( -4.027 -0.094 -0.715) 4.091 71.123 ( 1.105 0.225 0.747) 1.353 71.480 ( -1.796 0.415 -0.652) 1.956 71.682 ( 4.253 -0.715 0.428) 4.334 ======================= Grid point 49 (37/231) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -13.395 0.000 0.000) 13.395 2.867 ( -6.137 0.000 0.000) 6.137 3.181 ( 4.916 -0.000 -0.000) 4.916 3.416 ( -9.105 0.000 0.000) 9.105 3.897 ( 4.430 -0.000 -0.000) 4.430 4.133 ( -13.758 0.000 0.000) 13.758 5.215 ( 5.991 -0.000 -0.000) 5.991 5.802 ( 9.119 -0.000 -0.000) 9.119 5.979 ( -4.958 0.000 0.000) 4.958 6.908 ( -4.845 0.000 0.000) 4.845 7.293 ( -0.076 0.000 0.000) 0.076 7.644 ( 0.697 -0.000 -0.000) 0.697 10.567 ( -11.846 0.000 0.000) 11.846 11.081 ( -11.319 0.000 0.000) 11.319 11.776 ( 8.667 -0.000 -0.000) 8.667 12.187 ( -1.669 0.000 0.000) 1.669 12.568 ( -5.573 0.000 0.000) 5.573 12.573 ( -6.473 0.000 0.000) 6.473 31.797 ( 1.034 -0.000 -0.000) 1.034 31.901 ( 1.558 -0.000 -0.000) 1.558 32.048 ( 0.235 -0.000 -0.000) 0.235 32.065 ( 0.319 -0.000 -0.000) 0.319 32.796 ( 0.538 -0.000 -0.000) 0.538 32.869 ( 1.666 -0.000 -0.000) 1.666 36.318 ( -0.625 0.000 0.000) 0.625 36.345 ( -0.801 0.000 0.000) 0.801 36.402 ( 0.954 -0.000 -0.000) 0.954 36.402 ( 0.563 -0.000 -0.000) 0.563 68.808 ( 0.308 -0.000 -0.000) 0.308 68.834 ( 0.960 -0.000 -0.000) 0.960 70.161 ( -0.167 0.000 0.000) 0.167 70.304 ( -0.894 0.000 0.000) 0.894 70.854 ( -6.408 0.000 0.000) 6.408 71.141 ( 0.597 -0.000 -0.000) 0.597 71.457 ( -1.060 0.000 0.000) 1.060 71.763 ( 5.269 -0.000 -0.000) 5.269 ======================= Grid point 56 (38/231) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -0.000 18.508 -16.041) 24.492 2.304 ( 0.000 17.446 15.011) 23.015 2.962 ( -0.000 -0.661 -20.101) 20.112 3.007 ( -0.000 -1.447 -3.716) 3.988 4.037 ( 0.000 16.836 13.365) 21.496 4.239 ( 0.000 4.784 10.099) 11.175 4.998 ( -0.000 -1.350 -13.932) 13.997 5.695 ( 0.000 -14.148 2.987) 14.460 6.116 ( -0.000 -6.975 -7.003) 9.884 6.658 ( 0.000 4.046 7.319) 8.363 7.074 ( -0.000 6.415 -1.296) 6.544 8.107 ( 0.000 -2.608 1.250) 2.892 10.037 ( 0.000 -0.024 0.434) 0.434 11.043 ( -0.000 17.002 1.370) 17.057 11.972 ( 0.000 -1.707 -0.568) 1.799 12.111 ( -0.000 1.288 0.123) 1.293 12.366 ( -0.000 10.540 0.256) 10.543 12.415 ( -0.000 9.598 -1.047) 9.655 31.816 ( 0.000 -1.269 0.038) 1.270 31.962 ( 0.000 -1.813 0.090) 1.815 32.034 ( -0.000 -0.270 -0.791) 0.835 32.077 ( -0.000 -0.098 -0.340) 0.353 32.817 ( 0.000 -1.697 0.598) 1.800 32.929 ( 0.000 -2.027 0.181) 2.035 36.291 ( -0.000 0.119 -0.166) 0.204 36.334 ( -0.000 1.032 -0.149) 1.042 36.419 ( 0.000 -0.470 0.134) 0.489 36.425 ( 0.000 -0.619 0.402) 0.738 68.826 ( 0.000 -0.518 0.288) 0.593 68.854 ( 0.000 -0.965 -0.440) 1.061 70.151 ( -0.000 0.579 -0.100) 0.587 70.296 ( 0.000 -0.060 0.170) 0.181 70.609 ( -0.000 6.972 -1.445) 7.121 70.994 ( -0.000 4.935 -6.328) 8.025 71.591 ( 0.000 -3.905 5.912) 7.086 71.915 ( 0.000 -4.603 0.331) 4.615 ======================= Grid point 57 (39/231) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -0.741 7.338 -18.383) 19.807 2.547 ( 2.921 14.344 11.605) 18.681 2.884 ( -1.845 5.551 -15.144) 16.234 3.065 ( 8.107 -0.172 -3.331) 8.767 4.101 ( -0.956 -3.519 7.572) 8.404 4.462 ( 0.767 19.442 14.302) 24.148 5.040 ( 11.538 -2.299 -9.598) 15.183 5.560 ( 0.032 -13.057 0.554) 13.069 5.973 ( -5.544 -5.875 -4.209) 9.108 6.777 ( 5.512 2.874 3.709) 7.239 7.133 ( 0.306 6.171 -0.756) 6.225 8.017 ( -6.504 -3.127 -0.497) 7.234 10.121 ( 9.498 0.071 0.446) 9.509 11.181 ( -3.452 16.148 0.175) 16.514 11.929 ( -2.515 -2.541 1.109) 3.743 12.140 ( 1.942 0.861 -0.205) 2.135 12.480 ( 1.649 8.891 0.177) 9.045 12.507 ( 0.560 8.430 -0.788) 8.485 31.804 ( -0.114 -1.153 0.049) 1.159 31.939 ( -0.751 -1.495 0.078) 1.675 32.031 ( 0.256 -0.277 -0.639) 0.742 32.073 ( -0.214 -0.097 -0.158) 0.283 32.805 ( 0.059 -1.288 0.602) 1.423 32.903 ( -0.753 -1.773 -0.158) 1.933 36.294 ( 0.367 0.142 -0.122) 0.412 36.343 ( -0.099 1.089 -0.187) 1.109 36.413 ( -0.273 -0.467 0.117) 0.553 36.420 ( 0.029 -0.757 0.432) 0.872 68.820 ( -0.229 -0.384 0.252) 0.513 68.842 ( -0.244 -0.764 -0.355) 0.877 70.158 ( 0.084 0.497 -0.115) 0.517 70.296 ( 0.055 0.077 0.161) 0.187 70.696 ( 2.823 6.200 -1.209) 6.919 71.019 ( 0.195 3.988 -4.711) 6.175 71.569 ( -0.228 -3.753 4.303) 5.714 71.858 ( -1.750 -3.975 0.336) 4.356 ======================= Grid point 58 (40/231) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 2.614 -0.576 -18.321) 18.516 2.751 ( 1.838 9.575 11.354) 14.966 2.895 ( -0.654 9.815 -12.612) 15.994 3.250 ( 13.290 2.521 -2.048) 13.681 4.056 ( -1.951 -5.802 7.342) 9.559 4.618 ( -5.907 10.030 6.584) 13.374 5.226 ( 11.976 -3.243 5.292) 13.489 5.492 ( 6.307 -6.039 -9.128) 12.632 5.818 ( -4.282 -4.257 -0.988) 6.118 6.884 ( 1.735 4.966 -1.788) 5.556 7.206 ( 3.520 0.661 2.225) 4.217 7.856 ( -8.473 -0.978 -1.004) 8.588 10.352 ( 16.457 0.526 0.585) 16.476 11.245 ( -6.311 14.544 -1.784) 15.955 11.848 ( -3.781 -4.388 2.782) 6.425 12.185 ( 2.060 1.285 -0.256) 2.441 12.584 ( 1.179 5.894 -0.356) 6.022 12.587 ( 1.204 5.678 -0.055) 5.805 31.790 ( -0.225 -0.976 0.028) 1.002 31.911 ( -0.979 -1.026 0.091) 1.421 32.031 ( 0.271 -0.286 -0.418) 0.575 32.069 ( -0.209 0.086 -0.072) 0.237 32.799 ( 0.211 -0.870 0.547) 1.049 32.870 ( -1.159 -1.282 -0.350) 1.763 36.305 ( 0.712 0.175 -0.067) 0.737 36.351 ( -0.211 1.077 -0.241) 1.124 36.402 ( -0.417 -0.503 0.166) 0.674 36.413 ( -0.140 -0.824 0.346) 0.904 68.813 ( -0.299 -0.246 0.183) 0.429 68.829 ( -0.373 -0.568 -0.234) 0.719 70.161 ( -0.045 0.268 -0.069) 0.280 70.304 ( 0.565 0.345 0.116) 0.672 70.807 ( 4.027 4.773 -1.023) 6.328 71.043 ( 0.324 2.861 -3.027) 4.177 71.547 ( 0.070 -3.081 2.902) 4.233 71.781 ( -3.179 -3.142 0.157) 4.473 ======================= Grid point 59 (41/231) ======================= q-point: ( 0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 8.217 -2.157 -12.305) 14.953 2.876 ( -0.584 3.584 12.955) 13.455 2.932 ( 0.220 8.232 -13.167) 15.530 3.538 ( 14.995 7.315 -3.180) 16.984 3.983 ( -1.673 -7.845 7.490) 10.975 4.519 ( -13.109 2.359 1.640) 13.420 5.357 ( 4.181 -3.725 10.914) 12.267 5.512 ( 0.017 -0.415 -10.854) 10.862 5.828 ( 10.866 -2.010 -1.423) 11.142 6.939 ( -0.667 7.950 -3.290) 8.630 7.242 ( 2.011 -6.626 2.466) 7.351 7.738 ( -5.312 2.383 -0.156) 5.824 10.673 ( 19.095 1.208 0.814) 19.150 11.242 ( -8.114 12.116 -3.636) 15.028 11.732 ( -4.982 -6.611 3.704) 9.069 12.228 ( 1.113 1.818 0.025) 2.132 12.635 ( 0.554 2.943 -0.350) 3.014 12.652 ( 1.192 2.365 0.071) 2.649 31.778 ( -0.200 -0.697 -0.018) 0.725 31.888 ( -0.823 -0.565 0.108) 1.004 32.032 ( 0.274 -0.179 -0.252) 0.413 32.067 ( -0.201 0.194 0.014) 0.279 32.799 ( 0.402 -0.516 0.389) 0.761 32.838 ( -1.178 -0.711 -0.329) 1.414 36.321 ( 0.967 0.202 -0.011) 0.988 36.355 ( -0.355 0.940 -0.301) 1.049 36.391 ( -0.332 -0.519 0.234) 0.659 36.402 ( -0.403 -0.726 0.203) 0.855 68.808 ( -0.179 -0.137 0.114) 0.252 68.817 ( -0.373 -0.375 -0.125) 0.544 70.162 ( -0.046 0.070 -0.023) 0.087 70.319 ( 0.613 0.449 0.050) 0.762 70.910 ( 3.775 2.933 -0.873) 4.859 71.064 ( 0.518 1.736 -1.437) 2.312 71.538 ( 0.742 -1.729 1.708) 2.541 71.693 ( -3.926 -2.361 -0.042) 4.581 ======================= Grid point 60 (42/231) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 11.608 -1.310 -5.039) 12.722 2.895 ( -2.466 0.475 4.608) 5.248 2.978 ( 1.742 3.811 -4.484) 6.137 3.791 ( 0.316 9.608 -7.632) 12.274 3.963 ( 10.932 -8.316 9.694) 16.812 4.283 ( -15.222 0.044 0.632) 15.236 5.354 ( -6.599 -0.034 3.099) 7.291 5.484 ( 4.620 -2.679 -3.065) 6.158 6.011 ( 9.283 0.417 -1.843) 9.474 7.013 ( 1.079 7.616 -0.954) 7.751 7.172 ( -0.956 -7.626 0.541) 7.704 7.705 ( -2.142 1.763 0.560) 2.830 10.996 ( 12.862 3.568 0.891) 13.378 11.193 ( -4.351 5.648 -3.552) 7.966 11.578 ( -6.590 -6.566 2.832) 9.725 12.254 ( -0.320 1.561 0.224) 1.609 12.663 ( 0.476 1.158 -0.115) 1.257 12.676 ( 0.484 -0.081 -0.026) 0.492 31.771 ( 0.015 -0.341 -0.042) 0.344 31.874 ( -0.402 -0.206 0.080) 0.459 32.035 ( 0.296 -0.040 -0.129) 0.325 32.065 ( -0.217 0.146 0.067) 0.270 32.805 ( 0.463 -0.033 0.150) 0.488 32.815 ( -0.721 -0.434 -0.143) 0.854 36.341 ( 0.935 0.257 0.035) 0.971 36.354 ( -0.420 0.429 -0.241) 0.647 36.383 ( -0.181 -0.529 0.224) 0.602 36.389 ( -0.446 -0.223 0.027) 0.499 68.806 ( 0.077 -0.056 0.055) 0.109 68.808 ( -0.262 -0.180 -0.048) 0.322 70.162 ( 0.024 -0.030 -0.007) 0.039 70.330 ( 0.168 0.327 0.009) 0.368 70.978 ( 1.979 1.033 -0.595) 2.310 71.085 ( 0.880 0.748 -0.277) 1.188 71.553 ( 0.916 0.686 0.616) 1.299 71.607 ( -2.949 -2.368 -0.037) 3.782 ======================= Grid point 61 (43/231) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 8.116 -0.000 -0.000) 8.116 2.865 ( -1.358 0.000 0.000) 1.358 3.029 ( 3.226 -0.000 -0.000) 3.226 3.728 ( -6.776 0.000 0.000) 6.776 4.039 ( -12.315 0.000 0.000) 12.315 4.175 ( 10.215 -0.000 -0.000) 10.215 5.232 ( -6.406 0.000 0.000) 6.406 5.558 ( 5.650 -0.000 -0.000) 5.650 6.098 ( 0.825 -0.000 -0.000) 0.825 7.041 ( -2.825 0.000 0.000) 2.825 7.166 ( 5.031 -0.000 -0.000) 5.031 7.679 ( -2.065 0.000 0.000) 2.065 10.980 ( -11.327 0.000 0.000) 11.327 11.361 ( 15.456 -0.000 -0.000) 15.456 11.419 ( -8.307 0.000 0.000) 8.307 12.247 ( -1.463 0.000 0.000) 1.463 12.667 ( -0.811 0.000 0.000) 0.811 12.677 ( -0.231 0.000 0.000) 0.231 31.772 ( 0.356 -0.000 -0.000) 0.356 31.871 ( 0.195 -0.000 -0.000) 0.195 32.039 ( 0.272 -0.000 -0.000) 0.272 32.063 ( -0.145 0.000 0.000) 0.145 32.798 ( -0.621 0.000 0.000) 0.621 32.821 ( 1.100 -0.000 -0.000) 1.100 36.342 ( -0.706 0.000 0.000) 0.706 36.364 ( 1.165 -0.000 -0.000) 1.165 36.372 ( -0.723 0.000 0.000) 0.723 36.388 ( 0.227 -0.000 -0.000) 0.227 68.804 ( -0.096 0.000 0.000) 0.096 68.810 ( 0.393 -0.000 -0.000) 0.393 70.162 ( 0.052 -0.000 -0.000) 0.052 70.330 ( -0.428 0.000 0.000) 0.428 70.990 ( -0.976 0.000 0.000) 0.976 71.106 ( 1.168 -0.000 -0.000) 1.168 71.526 ( -3.380 0.000 0.000) 3.380 71.611 ( 3.526 -0.000 -0.000) 3.526 ======================= Grid point 70 (44/231) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -0.000 -1.029 -20.163) 20.189 2.691 ( 0.000 11.551 9.424) 14.908 2.941 ( -0.000 10.090 -11.033) 14.951 2.970 ( -0.000 -0.293 -0.291) 0.413 4.102 ( 0.000 -3.709 6.564) 7.539 4.705 ( 0.000 17.797 13.814) 22.529 4.867 ( -0.000 -1.959 -11.114) 11.286 5.437 ( 0.000 -12.566 0.889) 12.597 5.950 ( -0.000 -5.210 -3.781) 6.437 6.769 ( 0.000 2.502 4.738) 5.358 7.197 ( -0.000 6.702 -1.585) 6.887 8.021 ( 0.000 -5.258 -1.697) 5.525 10.036 ( 0.000 -0.231 0.249) 0.339 11.365 ( -0.000 14.687 -0.524) 14.696 11.932 ( 0.000 -3.012 1.772) 3.495 12.125 ( -0.000 0.357 -0.027) 0.358 12.551 ( -0.000 7.728 0.189) 7.731 12.580 ( -0.000 7.271 -0.729) 7.308 31.795 ( 0.000 -0.909 0.045) 0.910 31.932 ( 0.000 -1.287 0.087) 1.290 32.024 ( -0.000 -0.153 -0.595) 0.614 32.072 ( 0.000 -0.243 -0.013) 0.244 32.795 ( 0.000 -0.948 0.634) 1.141 32.892 ( 0.000 -1.571 -0.361) 1.612 36.292 ( -0.000 0.116 -0.089) 0.146 36.355 ( -0.000 1.173 -0.228) 1.195 36.412 ( 0.000 -0.361 0.080) 0.370 36.414 ( 0.000 -0.887 0.464) 1.001 68.820 ( 0.000 -0.289 0.231) 0.370 68.836 ( 0.000 -0.567 -0.300) 0.641 70.162 ( -0.000 0.566 -0.142) 0.583 70.294 ( 0.000 -0.240 0.135) 0.275 70.728 ( -0.000 5.724 -0.974) 5.806 71.038 ( -0.000 3.201 -3.564) 4.790 71.547 ( 0.000 -3.758 3.021) 4.822 71.840 ( 0.000 -3.134 0.473) 3.169 ======================= Grid point 71 (45/231) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -0.136 -3.310 -15.889) 16.231 2.838 ( 2.488 7.373 6.551) 10.173 2.982 ( -1.493 9.548 -7.832) 12.439 3.055 ( 8.066 0.284 0.709) 8.102 4.073 ( -1.962 -3.297 5.075) 6.362 4.809 ( -2.670 5.442 0.073) 6.062 4.994 ( 11.750 3.558 4.292) 13.005 5.334 ( 1.382 -8.409 -2.488) 8.877 5.860 ( -3.899 -2.982 -1.683) 5.189 6.848 ( 4.552 1.850 1.961) 5.290 7.236 ( -1.717 4.436 -0.406) 4.774 7.929 ( -3.824 -4.011 -1.730) 5.806 10.122 ( 9.955 -0.113 0.198) 9.958 11.462 ( -3.697 12.263 -1.612) 12.909 11.878 ( -3.079 -4.122 2.586) 5.758 12.151 ( 2.386 0.397 -0.077) 2.420 12.622 ( 0.484 5.064 0.142) 5.089 12.636 ( -0.243 4.852 -0.495) 4.884 31.786 ( -0.164 -0.655 0.031) 0.676 31.916 ( -0.584 -0.843 0.068) 1.028 32.023 ( 0.195 -0.146 -0.381) 0.452 32.070 ( -0.017 -0.128 0.010) 0.129 32.791 ( 0.085 -0.575 0.534) 0.789 32.871 ( -0.577 -1.100 -0.407) 1.307 36.296 ( 0.404 0.101 -0.051) 0.420 36.364 ( -0.154 1.184 -0.275) 1.225 36.403 ( -0.275 -0.800 0.333) 0.909 36.409 ( -0.031 -0.482 0.163) 0.509 68.817 ( -0.214 -0.178 0.159) 0.321 68.829 ( -0.229 -0.374 -0.193) 0.479 70.166 ( -0.103 0.362 -0.097) 0.389 70.296 ( 0.461 -0.080 0.094) 0.477 70.794 ( 2.216 4.161 -0.710) 4.768 71.054 ( 0.116 2.130 -2.247) 3.098 71.523 ( 0.118 -2.940 1.883) 3.494 71.800 ( -1.805 -2.131 0.341) 2.813 ======================= Grid point 72 (46/231) ======================= q-point: ( 0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 3.938 -1.985 -7.947) 9.088 2.944 ( 0.747 2.958 5.601) 6.378 2.994 ( -2.888 5.410 -5.572) 8.285 3.276 ( 16.902 0.974 -0.600) 16.941 4.009 ( -3.794 -2.551 3.052) 5.497 4.747 ( -9.432 1.955 0.259) 9.636 5.252 ( 10.089 -1.431 11.519) 15.379 5.339 ( 10.097 -1.251 -11.650) 15.467 5.767 ( -3.544 -0.906 0.095) 3.659 6.956 ( 4.987 2.677 -0.823) 5.719 7.216 ( -3.190 -0.512 0.959) 3.370 7.826 ( -4.301 -0.810 -0.730) 4.437 10.360 ( 17.192 0.065 0.162) 17.193 11.469 ( -6.651 8.436 -2.127) 10.952 11.774 ( -4.922 -4.530 2.530) 7.152 12.203 ( 2.865 0.519 -0.010) 2.912 12.661 ( -0.306 2.247 -0.407) 2.304 12.664 ( 0.012 1.842 0.237) 1.857 31.777 ( -0.265 -0.353 0.005) 0.442 31.898 ( -0.808 -0.366 0.048) 0.888 32.024 ( 0.277 -0.111 -0.157) 0.337 32.070 ( -0.013 0.022 0.002) 0.026 32.791 ( 0.206 -0.275 0.273) 0.439 32.849 ( -0.907 -0.490 -0.234) 1.057 36.307 ( 0.772 0.073 -0.018) 0.776 36.370 ( -0.353 1.039 -0.296) 1.137 36.391 ( -0.292 -0.858 0.327) 0.963 36.403 ( -0.258 -0.280 0.067) 0.387 68.811 ( -0.285 -0.079 0.073) 0.304 68.820 ( -0.359 -0.188 -0.082) 0.414 70.165 ( -0.195 0.111 -0.029) 0.227 70.309 ( 0.867 0.093 0.035) 0.873 70.872 ( 3.307 2.027 -0.423) 3.901 71.067 ( 0.257 1.006 -0.951) 1.408 71.512 ( 0.647 -1.501 0.888) 1.860 71.741 ( -3.333 -1.071 0.116) 3.503 ======================= Grid point 73 (47/231) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 9.205 -0.000 -0.000) 9.205 2.955 ( -3.124 0.000 0.000) 3.124 2.974 ( 0.368 -0.000 -0.000) 0.368 3.608 ( 20.050 -0.000 -0.000) 20.050 3.923 ( -5.148 0.000 0.000) 5.148 4.546 ( -14.473 0.000 0.000) 14.473 5.366 ( 5.565 -0.000 -0.000) 5.565 5.458 ( -0.620 0.000 0.000) 0.620 5.807 ( 10.754 -0.000 -0.000) 10.754 7.051 ( 3.298 -0.000 -0.000) 3.298 7.140 ( -3.591 0.000 0.000) 3.591 7.761 ( -3.170 0.000 0.000) 3.170 10.686 ( 20.146 -0.000 -0.000) 20.146 11.376 ( -8.979 0.000 0.000) 8.979 11.658 ( -5.992 0.000 0.000) 5.992 12.248 ( 1.769 -0.000 -0.000) 1.769 12.666 ( -0.051 0.000 0.000) 0.051 12.672 ( 0.037 -0.000 -0.000) 0.037 31.771 ( -0.204 0.000 0.000) 0.204 31.883 ( -0.725 0.000 0.000) 0.725 32.029 ( 0.327 -0.000 -0.000) 0.327 32.069 ( -0.119 0.000 0.000) 0.119 32.795 ( 0.439 -0.000 -0.000) 0.439 32.830 ( -1.047 0.000 0.000) 1.047 36.323 ( 1.038 -0.000 -0.000) 1.038 36.367 ( -0.629 0.000 0.000) 0.629 36.383 ( -0.120 0.000 0.000) 0.120 36.396 ( -0.443 0.000 0.000) 0.443 68.807 ( -0.170 0.000 0.000) 0.170 68.813 ( -0.361 0.000 0.000) 0.361 70.163 ( -0.117 0.000 0.000) 0.117 70.324 ( 0.737 -0.000 -0.000) 0.737 70.937 ( 3.196 -0.000 -0.000) 3.196 71.076 ( 0.508 -0.000 -0.000) 0.508 71.525 ( 1.530 -0.000 -0.000) 1.530 71.669 ( -4.317 0.000 0.000) 4.317 ======================= Grid point 85 (48/231) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -0.000 -2.571 -9.120) 9.475 2.855 ( -0.000 2.102 0.215) 2.113 3.014 ( 0.000 2.129 3.570) 4.157 3.061 ( -0.000 5.332 -3.539) 6.399 4.082 ( 0.000 -1.608 2.612) 3.068 4.773 ( -0.000 -1.038 -4.504) 4.622 5.036 ( 0.000 7.297 7.974) 10.809 5.242 ( 0.000 -6.181 -2.640) 6.721 5.865 ( -0.000 -1.609 -1.048) 1.920 6.826 ( 0.000 0.839 1.635) 1.838 7.294 ( -0.000 3.241 -0.481) 3.277 7.914 ( 0.000 -3.191 -1.280) 3.438 10.034 ( 0.000 -0.118 0.079) 0.142 11.588 ( -0.000 7.662 -1.369) 7.783 11.879 ( 0.000 -3.310 1.931) 3.832 12.129 ( -0.000 0.072 -0.034) 0.080 12.659 ( -0.000 2.856 0.124) 2.859 12.676 ( -0.000 2.634 -0.314) 2.652 31.782 ( 0.000 -0.330 0.020) 0.331 31.914 ( 0.000 -0.465 0.036) 0.466 32.019 ( -0.000 -0.043 -0.222) 0.226 32.069 ( 0.000 -0.123 0.028) 0.126 32.788 ( 0.000 -0.257 0.350) 0.434 32.866 ( 0.000 -0.630 -0.294) 0.695 36.293 ( -0.000 0.050 -0.025) 0.056 36.376 ( -0.000 1.194 -0.321) 1.236 36.397 ( 0.000 -1.093 0.417) 1.170 36.407 ( 0.000 -0.138 0.025) 0.140 68.818 ( 0.000 -0.090 0.089) 0.127 68.827 ( 0.000 -0.184 -0.105) 0.212 70.170 ( -0.000 0.248 -0.069) 0.257 70.291 ( 0.000 -0.138 0.055) 0.149 70.806 ( -0.000 2.393 -0.350) 2.419 71.063 ( -0.000 1.092 -1.172) 1.602 71.504 ( 0.000 -1.731 0.912) 1.956 71.801 ( 0.000 -1.089 0.227) 1.112 ======================= Grid point 86 (49/231) ======================= q-point: (-0.46 -0.54 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.478 -0.000 -0.000) 0.478 2.927 ( 5.130 -0.000 -0.000) 5.130 3.060 ( -2.299 0.000 0.000) 2.299 3.068 ( 5.816 -0.000 -0.000) 5.816 4.058 ( -2.345 0.000 0.000) 2.345 4.816 ( 3.237 -0.000 -0.000) 3.237 5.109 ( 4.088 -0.000 -0.000) 4.088 5.219 ( 2.461 -0.000 -0.000) 2.461 5.827 ( -3.121 0.000 0.000) 3.121 6.874 ( 4.495 -0.000 -0.000) 4.495 7.283 ( -3.033 0.000 0.000) 3.033 7.874 ( -2.377 0.000 0.000) 2.377 10.121 ( 10.074 -0.000 -0.000) 10.074 11.596 ( -3.438 0.000 0.000) 3.438 11.830 ( -3.609 0.000 0.000) 3.609 12.155 ( 2.649 -0.000 -0.000) 2.649 12.673 ( -0.062 0.000 0.000) 0.062 12.683 ( -0.515 0.000 0.000) 0.515 31.779 ( -0.183 0.000 0.000) 0.183 31.908 ( -0.518 0.000 0.000) 0.518 32.020 ( 0.159 -0.000 -0.000) 0.159 32.069 ( 0.070 -0.000 -0.000) 0.070 32.788 ( 0.059 -0.000 -0.000) 0.059 32.858 ( -0.484 0.000 0.000) 0.484 36.297 ( 0.418 -0.000 -0.000) 0.418 36.383 ( -0.256 0.000 0.000) 0.256 36.388 ( -0.120 0.000 0.000) 0.120 36.405 ( -0.125 0.000 0.000) 0.125 68.816 ( -0.211 0.000 0.000) 0.211 68.824 ( -0.225 0.000 0.000) 0.225 70.169 ( -0.184 0.000 0.000) 0.184 70.296 ( 0.612 -0.000 -0.000) 0.612 70.835 ( 1.982 -0.000 -0.000) 1.982 71.067 ( 0.114 -0.000 -0.000) 0.114 71.498 ( 0.233 -0.000 -0.000) 0.233 71.780 ( -1.813 0.000 0.000) 1.813 ======================= Grid point 187 (50/231) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 0.000 -0.000 35.405) 35.405 0.405 ( 0.000 -0.000 35.405) 35.405 0.500 ( 0.000 -0.000 43.892) 43.892 3.205 ( -0.000 0.000 -3.248) 3.248 3.205 ( -0.000 0.000 -3.248) 3.248 5.070 ( -0.000 0.000 -11.654) 11.654 5.283 ( -0.000 0.000 -6.260) 6.260 5.283 ( -0.000 0.000 -6.260) 6.260 6.166 ( 0.000 -0.000 6.512) 6.512 6.166 ( 0.000 -0.000 6.512) 6.512 7.205 ( 0.000 -0.000 6.899) 6.899 8.440 ( -0.000 0.000 -1.784) 1.784 9.986 ( 0.000 -0.000 2.136) 2.136 9.986 ( 0.000 -0.000 2.136) 2.136 11.754 ( -0.000 0.000 -0.397) 0.397 11.790 ( 0.000 -0.000 0.127) 0.127 12.128 ( -0.000 0.000 -2.025) 2.025 12.128 ( -0.000 0.000 -2.025) 2.025 31.892 ( 0.000 -0.000 0.327) 0.327 31.892 ( 0.000 -0.000 0.327) 0.327 32.067 ( -0.000 0.000 -0.258) 0.258 32.067 ( -0.000 0.000 -0.258) 0.258 33.012 ( -0.000 0.000 -0.420) 0.420 33.120 ( 0.000 -0.000 0.414) 0.414 36.290 ( -0.000 0.000 -0.101) 0.101 36.290 ( -0.000 0.000 -0.101) 0.101 36.441 ( 0.000 -0.000 0.037) 0.037 36.441 ( 0.000 -0.000 0.037) 0.037 68.866 ( 0.000 -0.000 0.196) 0.196 68.979 ( -0.000 0.000 -0.221) 0.221 70.133 ( -0.000 0.000 -0.098) 0.098 70.133 ( -0.000 0.000 -0.098) 0.098 70.274 ( 0.000 -0.000 0.222) 0.222 70.274 ( 0.000 -0.000 0.222) 0.222 72.066 ( 0.000 -0.000 0.105) 0.105 72.180 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 188 (51/231) ======================= q-point: ( 0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 22.910 13.227 -0.621) 26.461 0.744 ( 15.771 9.105 23.442) 29.684 1.429 ( 39.066 22.555 32.848) 55.802 3.192 ( -0.277 -0.160 -3.509) 3.523 3.252 ( 1.309 0.756 -10.150) 10.262 4.851 ( -6.618 -3.821 -6.141) 9.803 5.309 ( 2.503 1.445 -6.225) 6.863 5.903 ( 24.572 14.187 -40.934) 49.806 6.204 ( 1.914 1.105 7.509) 7.827 6.334 ( 9.883 5.706 6.385) 13.077 7.175 ( -5.743 -3.316 8.392) 10.696 7.912 ( -21.692 -12.524 24.146) 34.791 10.024 ( 1.787 1.031 3.664) 4.205 10.176 ( 8.020 4.631 -5.588) 10.816 11.798 ( 3.990 2.303 -0.406) 4.625 11.833 ( 3.554 2.052 -0.070) 4.104 12.103 ( -0.401 -0.231 -3.671) 3.700 12.136 ( 0.456 0.263 -1.156) 1.270 31.892 ( -0.319 -0.184 0.627) 0.727 32.015 ( 4.001 2.310 -6.840) 8.254 32.054 ( -0.921 -0.531 -0.467) 1.161 32.068 ( 0.165 0.095 -0.313) 0.366 32.959 ( -4.058 -2.343 3.250) 5.702 33.026 ( -2.068 -1.194 3.462) 4.205 36.291 ( 0.088 0.051 -0.071) 0.124 36.292 ( 0.213 0.123 -0.251) 0.351 36.439 ( -0.238 -0.138 -0.003) 0.275 36.446 ( 0.206 0.119 0.292) 0.377 68.861 ( -0.442 -0.255 0.209) 0.552 68.941 ( -1.379 -0.796 0.590) 1.698 70.130 ( -0.089 -0.051 -0.219) 0.242 70.279 ( 0.311 0.180 0.294) 0.465 70.311 ( 3.234 1.867 0.106) 3.736 70.604 ( 18.646 10.765 -27.004) 34.537 71.779 ( -12.642 -7.299 19.553) 24.402 72.158 ( -1.928 -1.113 -0.042) 2.227 ======================= Grid point 189 (52/231) ======================= q-point: ( 0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 28.445 16.423 -14.133) 35.757 1.196 ( 16.804 9.702 15.244) 24.676 2.409 ( 36.315 20.966 26.888) 49.813 3.166 ( -0.903 -0.521 -3.142) 3.310 3.219 ( -0.013 -0.007 -12.461) 12.461 4.687 ( -5.822 -3.361 -3.407) 7.537 5.336 ( 2.031 1.172 -7.773) 8.119 6.092 ( 3.861 2.229 -15.246) 15.885 6.310 ( 4.451 2.570 9.031) 10.391 6.679 ( 18.481 10.670 -1.250) 21.376 6.999 ( -12.313 -7.109 8.823) 16.733 7.622 ( -11.144 -6.434 7.746) 15.020 10.090 ( 2.461 1.421 4.793) 5.572 10.359 ( 10.111 5.837 -2.332) 11.905 11.916 ( 4.432 2.559 -0.973) 5.209 11.938 ( 6.706 3.872 -1.093) 7.820 12.103 ( 2.586 1.493 -3.370) 4.503 12.138 ( -0.111 -0.064 -0.196) 0.234 31.883 ( -0.704 -0.407 0.813) 1.150 32.023 ( -1.564 -0.903 -0.589) 1.900 32.040 ( 0.767 0.443 -3.507) 3.617 32.070 ( 0.045 0.026 -0.574) 0.576 32.901 ( -2.202 -1.271 1.862) 3.152 32.994 ( -1.913 -1.104 1.499) 2.669 36.294 ( 0.152 0.088 -0.025) 0.178 36.299 ( 0.414 0.239 -0.286) 0.558 36.431 ( -0.426 -0.246 -0.048) 0.494 36.451 ( 0.035 0.020 0.589) 0.591 68.848 ( -0.699 -0.403 0.165) 0.823 68.913 ( -1.216 -0.702 -0.069) 1.406 70.129 ( 0.092 0.053 -0.250) 0.271 70.288 ( 0.345 0.199 0.276) 0.485 70.412 ( 5.406 3.121 0.698) 6.281 70.805 ( 8.633 4.985 -18.078) 20.645 71.651 ( -5.525 -3.190 14.254) 15.616 72.094 ( -3.580 -2.067 -0.131) 4.136 ======================= Grid point 190 (53/231) ======================= q-point: ( 0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 14.959 8.637 10.288) 20.105 1.676 ( 26.901 15.531 -17.999) 35.900 3.126 ( -1.795 -1.036 -2.183) 3.010 3.160 ( 3.362 1.941 -11.412) 12.055 3.260 ( 26.025 15.025 18.096) 35.078 4.571 ( -4.377 -2.527 3.748) 6.292 5.339 ( 1.110 0.641 -9.245) 9.334 6.047 ( -4.173 -2.409 -1.455) 5.034 6.462 ( 5.476 3.161 9.565) 11.466 6.702 ( -14.631 -8.447 3.035) 17.165 7.096 ( 17.050 9.844 -0.597) 19.697 7.426 ( -7.018 -4.052 -3.139) 8.690 10.165 ( 2.389 1.379 5.128) 5.823 10.624 ( 13.482 7.784 -0.744) 15.586 11.940 ( -0.183 -0.106 -4.303) 4.308 12.127 ( -1.076 -0.621 0.682) 1.418 12.133 ( 9.699 5.600 -0.419) 11.208 12.225 ( 7.991 4.614 -1.018) 9.284 31.867 ( -0.953 -0.550 0.834) 1.380 31.981 ( -1.866 -1.077 -0.587) 2.233 32.038 ( 0.119 0.069 -2.268) 2.273 32.066 ( -0.219 -0.127 -0.176) 0.308 32.865 ( -1.454 -0.840 1.128) 2.023 32.950 ( -2.222 -1.283 0.509) 2.615 36.298 ( 0.211 0.122 0.025) 0.245 36.309 ( 0.616 0.356 -0.291) 0.769 36.419 ( -0.553 -0.319 -0.085) 0.644 36.451 ( -0.255 -0.147 0.693) 0.753 68.833 ( -0.687 -0.397 0.111) 0.801 68.886 ( -1.151 -0.664 -0.244) 1.351 70.134 ( 0.399 0.230 -0.226) 0.513 70.295 ( 0.153 0.088 0.214) 0.278 70.554 ( 6.590 3.805 1.137) 7.694 70.904 ( 5.518 3.186 -12.364) 13.909 71.603 ( -3.112 -1.797 9.876) 10.509 71.999 ( -4.620 -2.667 -0.253) 5.341 ======================= Grid point 191 (54/231) ======================= q-point: ( 0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 12.519 7.228 6.966) 16.046 2.178 ( 23.418 13.520 -20.381) 33.862 3.066 ( -3.037 -1.753 -0.945) 3.632 3.166 ( 4.469 2.580 -13.308) 14.274 3.830 ( 15.233 8.795 13.817) 22.367 4.508 ( -4.194 -2.421 12.188) 13.114 5.323 ( 0.691 0.399 -9.333) 9.367 5.923 ( -6.122 -3.535 3.831) 8.041 6.387 ( -12.821 -7.402 -0.828) 14.828 6.614 ( 4.599 2.655 8.279) 9.836 7.283 ( -3.929 -2.268 -4.642) 6.491 7.428 ( 12.267 7.082 -3.156) 14.512 10.231 ( 1.752 1.011 4.173) 4.637 10.951 ( 15.030 8.678 -0.305) 17.358 11.911 ( -0.703 -0.406 -3.875) 3.959 12.089 ( -2.720 -1.570 1.408) 3.442 12.355 ( 9.529 5.501 -0.225) 11.005 12.416 ( 8.464 4.887 -0.541) 9.788 31.847 ( -0.994 -0.574 0.652) 1.320 31.937 ( -1.742 -1.005 -0.431) 2.057 32.031 ( -0.072 -0.042 -1.602) 1.604 32.060 ( -0.256 -0.148 0.173) 0.343 32.841 ( -1.157 -0.668 1.218) 1.808 32.901 ( -1.895 -1.094 -0.476) 2.240 36.304 ( 0.239 0.138 0.047) 0.280 36.324 ( 0.804 0.464 -0.273) 0.968 36.406 ( -0.572 -0.330 -0.086) 0.666 36.444 ( -0.600 -0.346 0.640) 0.943 68.820 ( -0.442 -0.255 0.096) 0.519 68.860 ( -0.993 -0.573 -0.257) 1.175 70.145 ( 0.665 0.384 -0.187) 0.791 70.296 ( -0.128 -0.074 0.156) 0.215 70.713 ( 6.828 3.942 1.329) 7.995 70.970 ( 3.827 2.209 -8.655) 9.718 71.573 ( -2.511 -1.450 6.612) 7.220 71.890 ( -4.600 -2.656 -0.237) 5.317 ======================= Grid point 192 (55/231) ======================= q-point: ( 0.46 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 9.663 5.579 5.108) 12.271 2.578 ( 18.534 10.701 -20.750) 29.809 2.981 ( -4.180 -2.413 0.091) 4.828 3.289 ( 10.197 5.887 -10.222) 15.593 4.026 ( -0.818 -0.472 6.189) 6.261 4.444 ( -7.198 -4.156 17.791) 19.637 5.307 ( 0.952 0.550 -8.027) 8.102 5.852 ( -0.844 -0.487 4.691) 4.791 6.124 ( -9.548 -5.513 -4.180) 11.791 6.722 ( 2.414 1.394 5.618) 6.272 7.214 ( -0.643 -0.371 -4.267) 4.331 7.633 ( 6.737 3.890 -1.412) 7.906 10.271 ( 0.706 0.408 1.775) 1.953 11.286 ( 14.206 8.202 -0.656) 16.417 11.889 ( -0.190 -0.109 -1.627) 1.642 12.006 ( -5.275 -3.046 1.897) 6.380 12.546 ( 6.934 4.003 -0.067) 8.007 12.585 ( 6.220 3.591 -0.406) 7.194 31.828 ( -0.804 -0.464 0.261) 0.964 31.902 ( -1.198 -0.692 -0.112) 1.388 32.025 ( -0.006 -0.003 -1.006) 1.006 32.056 ( -0.230 -0.133 0.311) 0.409 32.818 ( -1.297 -0.749 1.169) 1.899 32.868 ( -0.735 -0.425 -0.888) 1.229 36.309 ( 0.194 0.112 -0.006) 0.224 36.343 ( 0.927 0.535 -0.234) 1.095 36.394 ( -0.435 -0.251 -0.008) 0.503 36.429 ( -0.870 -0.502 0.482) 1.115 68.814 ( -0.094 -0.054 0.121) 0.163 68.839 ( -0.780 -0.450 -0.210) 0.925 70.161 ( 0.709 0.409 -0.147) 0.832 70.291 ( -0.314 -0.181 0.119) 0.381 70.867 ( 6.115 3.531 1.121) 7.150 71.011 ( 2.209 1.275 -5.713) 6.257 71.532 ( -2.858 -1.650 3.679) 4.942 71.799 ( -3.141 -1.814 0.159) 3.631 ======================= Grid point 193 (56/231) ======================= q-point: ( 0.54 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 4.393 2.536 4.853) 7.020 2.861 ( 12.354 7.133 -16.417) 21.749 2.891 ( -3.074 -1.775 0.257) 3.559 3.521 ( 12.252 7.073 -10.945) 17.887 3.912 ( -8.460 -4.884 3.737) 10.459 4.315 ( -9.470 -5.468 18.223) 21.252 5.309 ( 1.613 0.931 -5.990) 6.273 5.897 ( 0.032 0.018 -1.847) 1.847 5.925 ( -3.489 -2.014 -2.609) 4.799 6.762 ( -0.332 -0.192 2.470) 2.500 7.211 ( 0.844 0.487 -0.838) 1.285 7.738 ( 3.029 1.749 0.532) 3.537 10.275 ( -0.503 -0.291 -1.376) 1.494 11.577 ( 11.334 6.544 -1.377) 13.159 11.858 ( -8.357 -4.825 2.139) 9.884 11.893 ( 0.626 0.361 1.359) 1.539 12.656 ( 2.531 1.461 0.021) 2.923 12.684 ( 2.363 1.364 -0.224) 2.737 31.814 ( -0.406 -0.234 -0.220) 0.518 31.884 ( -0.363 -0.209 0.271) 0.499 32.024 ( 0.211 0.122 -0.458) 0.519 32.052 ( -0.166 -0.096 0.322) 0.374 32.795 ( -0.829 -0.479 0.303) 1.004 32.859 ( 0.088 0.051 -0.245) 0.265 36.311 ( 0.046 0.027 -0.149) 0.158 36.363 ( 0.772 0.446 -0.105) 0.898 36.387 ( -0.131 -0.076 0.156) 0.218 36.410 ( -0.821 -0.474 0.200) 0.968 68.816 ( 0.221 0.127 0.138) 0.290 68.824 ( -0.491 -0.284 -0.127) 0.581 70.174 ( 0.363 0.210 -0.094) 0.430 70.285 ( -0.205 -0.119 0.091) 0.254 70.976 ( 2.156 1.245 -2.060) 3.231 71.035 ( 2.018 1.165 -0.369) 2.359 71.478 ( -2.249 -1.299 1.107) 2.823 71.753 ( -1.048 -0.605 0.578) 1.341 ======================= Grid point 194 (57/231) ======================= q-point: (-0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -5.816 -3.358 5.348) 8.585 2.885 ( 2.752 1.589 -0.220) 3.186 2.991 ( 2.162 1.248 -7.247) 7.665 3.591 ( -4.962 -2.865 -6.344) 8.548 3.864 ( 5.873 3.391 -3.072) 7.445 4.184 ( -6.667 -3.849 13.026) 15.131 5.334 ( 2.193 1.266 -4.087) 4.808 5.752 ( -4.111 -2.374 -9.732) 10.828 6.011 ( 5.069 2.927 0.643) 5.889 6.727 ( -3.040 -1.755 -0.253) 3.519 7.231 ( 0.708 0.409 0.969) 1.268 7.786 ( 0.436 0.252 4.192) 4.222 10.241 ( -1.459 -0.842 -3.976) 4.319 11.614 ( -11.388 -6.575 1.540) 13.240 11.813 ( 7.557 4.363 -1.463) 8.848 11.925 ( 1.252 0.723 3.851) 4.113 12.656 ( -2.508 -1.448 0.026) 2.897 12.687 ( -2.095 -1.210 0.023) 2.420 31.809 ( 0.117 0.068 -0.578) 0.593 31.888 ( 0.543 0.314 0.527) 0.820 32.031 ( 0.472 0.273 0.008) 0.545 32.051 ( -0.061 -0.035 0.298) 0.307 32.786 ( 0.090 0.052 -0.384) 0.398 32.867 ( 0.521 0.301 0.334) 0.688 36.310 ( -0.120 -0.069 -0.283) 0.315 36.368 ( -0.510 -0.294 0.365) 0.693 36.389 ( 0.215 0.124 0.305) 0.393 36.403 ( 0.384 0.221 -0.426) 0.615 68.814 ( -0.209 -0.121 -0.041) 0.245 68.827 ( 0.542 0.313 0.127) 0.639 70.175 ( -0.255 -0.147 -0.008) 0.294 70.284 ( 0.136 0.078 0.046) 0.163 70.939 ( -3.376 -1.949 -3.214) 5.052 71.099 ( 1.948 1.125 2.756) 3.557 71.451 ( -0.212 -0.122 -0.962) 0.993 71.755 ( 1.022 0.590 0.677) 1.361 ======================= Grid point 195 (58/231) ======================= q-point: (-0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -12.174 -7.029 5.021) 14.927 2.876 ( -11.381 -6.571 1.582) 13.237 2.976 ( 4.498 2.597 -0.244) 5.199 3.452 ( -4.848 -2.799 2.454) 6.113 3.933 ( -2.697 -1.557 -5.157) 6.024 4.115 ( 0.158 0.091 -2.297) 2.304 5.372 ( 2.154 1.244 -3.235) 4.081 5.687 ( 2.318 1.338 -8.781) 9.180 6.151 ( 7.533 4.349 -1.872) 8.898 6.628 ( -5.161 -2.980 -1.617) 6.175 7.238 ( -0.553 -0.319 -0.919) 1.118 7.791 ( -2.185 -1.262 10.007) 10.321 10.184 ( -1.904 -1.099 -5.112) 5.565 11.316 ( -14.698 -8.486 1.786) 17.066 11.955 ( 5.280 3.048 -2.280) 6.509 11.973 ( 1.352 0.781 5.028) 5.265 12.548 ( -6.824 -3.940 0.074) 7.880 12.592 ( -6.053 -3.494 0.171) 6.991 31.815 ( 0.606 0.350 -0.740) 1.018 31.911 ( 1.311 0.757 0.609) 1.632 32.045 ( 0.653 0.377 0.043) 0.755 32.052 ( 0.101 0.058 0.605) 0.616 32.795 ( 0.830 0.479 -0.749) 1.217 32.885 ( 0.961 0.555 0.627) 1.275 36.305 ( -0.186 -0.107 -0.316) 0.382 36.351 ( -0.945 -0.545 0.395) 1.160 36.398 ( 0.437 0.252 0.341) 0.609 36.416 ( 0.734 0.424 -0.596) 1.036 68.813 ( 0.119 0.069 0.033) 0.141 68.842 ( 0.796 0.460 0.069) 0.922 70.164 ( -0.626 -0.361 0.092) 0.728 70.290 ( 0.256 0.148 -0.004) 0.295 70.822 ( -5.673 -3.275 -2.474) 7.002 71.135 ( 0.228 0.132 3.620) 3.629 71.448 ( 0.249 0.144 -2.470) 2.487 71.806 ( 3.225 1.862 0.670) 3.784 ======================= Grid point 196 (59/231) ======================= q-point: (-0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -16.034 -9.257 4.601) 19.077 2.512 ( -20.848 -12.037 4.624) 24.514 3.069 ( 3.683 2.127 -0.524) 4.285 3.387 ( -3.277 -1.892 2.300) 4.428 3.615 ( -21.513 -12.420 0.587) 24.848 4.216 ( 9.227 5.327 -10.972) 15.294 5.398 ( 1.170 0.676 -4.134) 4.349 5.795 ( 8.895 5.135 -6.412) 12.108 6.337 ( 9.705 5.603 -4.841) 12.207 6.491 ( -6.141 -3.545 -0.817) 7.137 7.175 ( -4.430 -2.558 -5.393) 7.433 7.775 ( -3.393 -1.959 16.880) 17.329 10.121 ( -1.948 -1.125 -4.750) 5.255 10.978 ( -15.205 -8.779 1.839) 17.653 12.017 ( 0.711 0.411 4.724) 4.795 12.040 ( 3.122 1.803 -2.635) 4.465 12.360 ( -9.371 -5.411 0.175) 10.823 12.426 ( -8.210 -4.740 0.275) 9.484 31.830 ( 0.917 0.530 -0.739) 1.292 31.949 ( 1.774 1.024 0.568) 2.126 32.053 ( 0.233 0.135 -0.304) 0.406 32.067 ( 0.736 0.425 1.135) 1.418 32.816 ( 1.218 0.703 -0.740) 1.589 32.915 ( 1.362 0.786 0.585) 1.678 36.300 ( -0.169 -0.097 -0.273) 0.335 36.332 ( -0.837 -0.483 0.317) 1.017 36.411 ( 0.511 0.295 0.290) 0.658 36.428 ( 0.531 0.306 -0.614) 0.868 68.820 ( 0.432 0.249 0.075) 0.505 68.863 ( 0.996 0.575 -0.029) 1.151 70.150 ( -0.605 -0.349 0.174) 0.720 70.294 ( 0.068 0.039 -0.040) 0.088 70.673 ( -6.426 -3.710 -2.003) 7.686 71.143 ( -0.664 -0.384 3.735) 3.813 71.437 ( -0.386 -0.223 -2.694) 2.731 71.899 ( 4.496 2.596 0.487) 5.215 ======================= Grid point 197 (60/231) ======================= q-point: (-0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -19.350 -11.172 4.761) 22.845 1.990 ( -25.892 -14.949 2.852) 30.033 2.911 ( -33.677 -19.444 -2.439) 38.963 3.138 ( 2.602 1.502 -1.059) 3.185 3.408 ( -1.757 -1.014 4.577) 5.006 4.416 ( 11.070 6.391 -7.681) 14.913 5.388 ( -0.360 -0.208 -6.383) 6.397 6.002 ( 10.350 5.976 -4.220) 12.674 6.355 ( -5.752 -3.321 1.936) 6.918 6.521 ( 7.320 4.226 -10.995) 13.869 7.006 ( -7.133 -4.118 -3.964) 9.141 7.769 ( -3.352 -1.935 19.369) 19.752 10.062 ( -1.825 -1.053 -3.373) 3.977 10.659 ( -13.048 -7.533 1.868) 15.182 12.025 ( -1.973 -1.139 2.672) 3.512 12.084 ( 1.822 1.052 -2.806) 3.507 12.142 ( -9.402 -5.428 0.390) 10.863 12.249 ( -6.606 -3.814 0.879) 7.678 31.849 ( 0.993 0.573 -0.602) 1.295 31.993 ( 1.828 1.055 0.439) 2.156 32.057 ( 0.240 0.138 -0.253) 0.375 32.088 ( 0.738 0.426 0.890) 1.232 32.843 ( 1.312 0.757 -0.388) 1.564 32.950 ( 1.494 0.862 0.408) 1.772 36.295 ( -0.121 -0.070 -0.209) 0.252 36.316 ( -0.657 -0.379 0.216) 0.789 36.423 ( 0.472 0.272 0.210) 0.584 36.435 ( 0.290 0.168 -0.530) 0.628 68.832 ( 0.634 0.366 0.077) 0.736 68.887 ( 1.125 0.649 -0.130) 1.305 70.139 ( -0.369 -0.213 0.217) 0.478 70.292 ( -0.213 -0.123 -0.051) 0.252 70.522 ( -6.117 -3.532 -1.608) 7.244 71.133 ( -1.011 -0.584 0.755) 1.390 71.416 ( -0.759 -0.438 0.222) 0.904 72.004 ( 4.450 2.569 0.238) 5.144 ======================= Grid point 198 (61/231) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -21.956 -12.676 7.137) 26.338 1.365 ( -28.944 -16.711 -3.633) 33.619 2.056 ( -40.968 -23.653 6.734) 47.783 3.181 ( 1.686 0.974 -1.774) 2.634 3.386 ( -1.295 -0.747 0.316) 1.528 4.646 ( 10.809 6.241 -4.593) 13.300 5.341 ( -1.104 -0.638 -7.955) 8.057 6.204 ( 8.180 4.723 -5.573) 10.967 6.250 ( -4.512 -2.605 4.729) 7.036 6.453 ( -8.333 -4.811 -17.593) 20.053 6.971 ( 4.508 2.602 3.980) 6.552 7.759 ( -3.823 -2.207 18.822) 19.333 10.014 ( -1.523 -0.879 -1.530) 2.331 10.411 ( -9.108 -5.259 1.039) 10.568 11.923 ( -6.386 -3.687 -0.097) 7.374 11.958 ( -6.757 -3.901 0.565) 7.823 12.107 ( 1.173 0.677 -2.772) 3.085 12.166 ( -1.630 -0.941 1.556) 2.442 31.869 ( 0.847 0.489 -0.351) 1.039 32.033 ( 1.466 0.846 0.239) 1.709 32.062 ( 0.231 0.133 -0.265) 0.376 32.104 ( 0.400 0.231 -0.483) 0.669 32.872 ( 1.224 0.707 0.712) 1.583 32.983 ( 1.273 0.735 0.457) 1.540 36.292 ( -0.071 -0.041 -0.157) 0.177 36.304 ( -0.465 -0.269 0.081) 0.543 36.433 ( 0.351 0.203 0.135) 0.427 36.438 ( 0.138 0.080 -0.307) 0.346 68.848 ( 0.637 0.368 0.067) 0.738 68.912 ( 1.090 0.629 -0.139) 1.266 70.135 ( -0.117 -0.067 0.191) 0.234 70.284 ( -0.381 -0.220 -0.015) 0.440 70.390 ( -4.846 -2.798 -1.228) 5.729 71.086 ( -2.099 -1.212 -11.546) 11.798 71.424 ( 0.253 0.146 11.544) 11.548 72.096 ( 3.468 2.002 0.061) 4.005 ======================= Grid point 201 (62/231) ======================= q-point: ( 0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -0.000 22.333 7.896) 23.688 0.884 ( 0.000 18.104 27.334) 32.786 1.516 ( 0.000 41.497 33.645) 53.423 3.155 ( -0.000 -1.109 -5.794) 5.899 3.251 ( -0.000 3.859 -9.896) 10.622 4.800 ( -0.000 -10.401 -9.459) 14.059 5.188 ( -0.000 -1.250 -10.335) 10.411 5.694 ( -0.000 21.555 -29.749) 36.737 6.277 ( 0.000 3.792 9.318) 10.060 6.315 ( 0.000 5.587 5.287) 7.692 7.211 ( 0.000 -6.273 9.509) 11.392 8.099 ( 0.000 -13.347 16.416) 21.157 10.001 ( 0.000 0.240 2.475) 2.486 10.193 ( -0.000 11.116 -2.465) 11.386 11.795 ( -0.000 4.490 -0.538) 4.522 11.837 ( -0.000 4.537 0.117) 4.539 12.083 ( -0.000 -1.356 -3.904) 4.133 12.136 ( -0.000 1.513 -2.053) 2.550 31.886 ( 0.000 -0.751 0.315) 0.814 32.004 ( -0.000 5.669 -5.213) 7.701 32.058 ( 0.000 -0.795 -0.259) 0.837 32.060 ( -0.000 -0.222 -0.517) 0.562 32.967 ( 0.000 -4.062 1.527) 4.339 33.042 ( 0.000 -3.161 3.982) 5.085 36.289 ( -0.000 0.002 -0.192) 0.192 36.294 ( -0.000 0.354 -0.167) 0.391 36.441 ( 0.000 -0.177 0.096) 0.201 36.442 ( 0.000 -0.117 0.169) 0.206 68.862 ( 0.000 -0.498 0.289) 0.576 68.941 ( 0.000 -1.892 0.423) 1.939 70.134 ( -0.000 0.081 -0.042) 0.092 70.278 ( 0.000 0.293 0.278) 0.404 70.283 ( -0.000 3.343 -2.181) 3.992 70.537 ( -0.000 21.081 -18.783) 28.235 71.846 ( 0.000 -13.298 14.567) 19.724 72.158 ( 0.000 -2.186 -0.035) 2.186 ======================= Grid point 202 (63/231) ======================= q-point: ( 0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 10.800 27.577 -5.134) 30.058 1.221 ( 6.190 19.374 20.915) 29.173 2.260 ( 22.965 33.818 28.784) 49.996 3.134 ( 1.322 -1.084 -7.108) 7.310 3.212 ( -2.703 2.099 -10.824) 11.352 4.649 ( -0.770 -9.479 -8.494) 12.751 5.239 ( 7.666 -1.005 -9.402) 12.172 5.869 ( 10.638 8.191 -22.755) 26.421 6.321 ( -0.847 0.132 8.303) 8.347 6.501 ( 12.495 6.301 4.938) 14.840 7.119 ( -6.197 -8.635 9.155) 14.028 7.911 ( -16.173 -0.580 10.732) 19.418 10.062 ( 4.587 0.754 3.282) 5.691 10.314 ( 2.629 10.363 -0.641) 10.711 11.882 ( 3.970 6.361 -0.497) 7.514 11.909 ( 1.758 5.336 -0.618) 5.652 12.063 ( 1.342 -0.167 -3.839) 4.070 12.145 ( -0.042 1.615 -1.605) 2.277 31.881 ( 0.156 -1.154 0.488) 1.262 32.030 ( -0.431 1.105 -2.196) 2.495 32.036 ( -0.590 0.352 -1.958) 2.075 32.063 ( 0.424 -0.195 -0.470) 0.662 32.921 ( -1.500 -2.850 1.580) 3.587 33.016 ( -1.357 -1.947 2.289) 3.297 36.290 ( 0.217 0.027 -0.189) 0.289 36.298 ( 0.073 0.477 -0.168) 0.511 36.435 ( -0.317 -0.246 0.019) 0.402 36.447 ( 0.429 -0.282 0.383) 0.640 68.854 ( -0.417 -0.621 0.279) 0.799 68.919 ( -0.641 -1.460 -0.093) 1.597 70.134 ( -0.184 0.418 -0.148) 0.480 70.275 ( 0.337 -0.099 0.128) 0.374 70.367 ( 4.448 3.892 -0.699) 5.951 70.694 ( 5.139 11.935 -16.123) 20.708 71.746 ( -4.338 -6.932 13.024) 15.378 72.115 ( -1.889 -3.093 -0.082) 3.625 ======================= Grid point 203 (64/231) ======================= q-point: ( 0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 17.410 23.499 -12.263) 31.713 1.598 ( 7.929 18.180 14.077) 24.322 3.016 ( 15.434 11.537 7.019) 20.509 3.118 ( 2.617 1.833 -7.897) 8.519 3.191 ( 5.215 12.203 4.616) 14.051 4.544 ( 1.074 -7.818 -2.279) 8.214 5.301 ( 2.659 2.169 -9.042) 9.671 5.991 ( 6.348 -1.364 -10.572) 12.407 6.324 ( 3.590 -9.210 8.041) 12.742 6.817 ( 7.391 2.444 -2.802) 8.273 6.958 ( -0.754 -0.386 8.730) 8.771 7.668 ( -17.482 4.757 4.243) 18.608 10.175 ( 3.782 3.612 4.467) 6.878 10.496 ( 8.246 8.525 -0.093) 11.861 11.938 ( -0.959 1.157 -3.312) 3.637 12.042 ( 6.781 6.265 -0.497) 9.246 12.147 ( 6.099 4.989 -1.225) 7.975 12.155 ( -0.099 2.839 -0.721) 2.931 31.870 ( -0.219 -1.334 0.612) 1.484 31.996 ( -1.574 -1.322 -0.468) 2.108 32.037 ( -0.278 1.152 -2.341) 2.624 32.064 ( 0.097 -0.187 -0.374) 0.429 32.880 ( -1.189 -1.780 0.996) 2.361 32.975 ( -1.999 -1.844 1.171) 2.961 36.295 ( 0.324 0.120 -0.115) 0.365 36.305 ( 0.247 0.524 -0.195) 0.611 36.425 ( -0.494 -0.306 -0.018) 0.581 36.451 ( 0.213 -0.441 0.544) 0.733 68.840 ( -0.610 -0.598 0.214) 0.881 68.892 ( -0.799 -1.198 -0.322) 1.476 70.136 ( -0.121 0.660 -0.180) 0.695 70.284 ( 0.799 -0.409 0.244) 0.930 70.497 ( 5.670 4.757 0.107) 7.402 70.814 ( 4.578 6.961 -12.245) 14.811 71.673 ( -3.403 -3.644 10.077) 11.243 72.035 ( -3.394 -3.712 -0.187) 5.033 ======================= Grid point 204 (65/231) ======================= q-point: ( 0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 16.377 16.023 -9.474) 24.793 1.954 ( 9.779 18.209 2.063) 20.771 3.013 ( 1.781 -3.502 -13.380) 13.945 3.145 ( 0.032 4.359 -4.762) 6.456 3.741 ( 15.795 16.638 16.855) 28.468 4.512 ( 2.291 -6.646 6.270) 9.420 5.310 ( -0.651 3.685 -8.867) 9.624 5.957 ( -2.748 -6.666 0.407) 7.222 6.315 ( 5.152 -15.178 1.392) 16.089 6.702 ( -6.263 1.345 1.213) 6.519 7.246 ( 14.155 7.186 -2.091) 16.011 7.455 ( -13.855 4.859 2.472) 14.889 10.279 ( 0.293 6.530 4.204) 7.772 10.761 ( 14.162 6.099 -0.202) 15.421 11.908 ( -1.191 -0.212 -2.854) 3.100 12.120 ( -0.894 0.213 -0.066) 0.921 12.272 ( 7.342 8.027 -0.274) 10.882 12.329 ( 7.744 6.345 -0.522) 10.025 31.853 ( -0.496 -1.351 0.524) 1.532 31.953 ( -1.659 -1.296 -0.348) 2.133 32.032 ( -0.400 0.690 -1.607) 1.793 32.061 ( -0.062 -0.223 -0.039) 0.234 32.852 ( -0.757 -1.190 0.857) 1.651 32.923 ( -2.209 -1.693 0.208) 2.791 36.302 ( 0.258 0.285 -0.035) 0.386 36.316 ( 0.566 0.476 -0.224) 0.773 36.412 ( -0.587 -0.331 -0.016) 0.674 36.448 ( -0.172 -0.610 0.560) 0.846 68.825 ( -0.517 -0.449 0.160) 0.703 68.867 ( -0.778 -0.978 -0.336) 1.294 70.143 ( 0.198 0.682 -0.153) 0.727 70.292 ( 0.449 -0.248 0.204) 0.552 70.649 ( 6.306 4.874 0.488) 7.985 70.901 ( 3.744 4.565 -8.901) 10.681 71.626 ( -2.689 -2.383 7.245) 8.087 71.931 ( -4.067 -3.912 -0.247) 5.648 ======================= Grid point 205 (66/231) ======================= q-point: ( 0.46 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 8.443 10.785 4.005) 14.270 2.317 ( 15.300 15.600 -16.988) 27.677 2.973 ( 1.688 -4.022 -6.473) 7.806 3.207 ( 3.135 8.791 -6.742) 11.513 4.054 ( 2.684 4.456 8.789) 10.213 4.515 ( -0.036 -6.763 13.896) 15.455 5.294 ( -1.358 3.520 -8.199) 9.026 5.841 ( -1.054 -7.248 2.764) 7.829 6.179 ( -5.170 -9.023 -2.343) 10.660 6.723 ( 3.564 3.012 0.614) 4.706 7.286 ( -9.097 5.306 -3.406) 11.069 7.520 ( 10.024 2.140 2.178) 10.479 10.341 ( -2.671 7.671 2.001) 8.365 11.078 ( 16.490 4.212 -0.533) 17.028 11.879 ( -0.667 -1.160 -0.476) 1.420 12.083 ( -3.754 0.466 0.490) 3.815 12.471 ( 7.165 5.948 -0.148) 9.314 12.512 ( 6.879 4.994 -0.408) 8.511 31.832 ( -0.542 -1.226 0.220) 1.359 31.915 ( -1.332 -1.021 -0.066) 1.680 32.026 ( -0.331 0.539 -1.079) 1.251 32.058 ( -0.122 -0.193 0.210) 0.310 32.834 ( -0.807 -0.932 1.196) 1.717 32.874 ( -1.450 -1.164 -0.757) 2.008 36.309 ( 0.124 0.387 -0.048) 0.409 36.332 ( 0.864 0.442 -0.201) 0.991 36.399 ( -0.528 -0.292 0.043) 0.605 36.437 ( -0.558 -0.759 0.457) 1.047 68.816 ( -0.223 -0.256 0.152) 0.372 68.844 ( -0.663 -0.772 -0.269) 1.052 70.154 ( 0.494 0.538 -0.125) 0.741 70.295 ( -0.074 0.034 0.148) 0.169 70.804 ( 6.148 4.339 0.283) 7.531 70.966 ( 2.751 3.088 -5.937) 7.236 71.581 ( -2.944 -1.919 4.537) 5.739 71.828 ( -3.308 -3.551 0.026) 4.853 ======================= Grid point 206 (67/231) ======================= q-point: ( 0.54 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 4.679 7.997 5.791) 10.926 2.631 ( 14.482 10.255 -18.900) 25.925 2.925 ( -1.652 -2.192 -1.833) 3.300 3.380 ( 8.588 10.220 -9.110) 16.162 4.028 ( -7.512 -3.006 4.661) 9.337 4.449 ( -5.496 -8.731 17.606) 20.406 5.278 ( -0.061 2.187 -7.675) 7.981 5.826 ( 3.955 -4.659 0.961) 6.187 5.995 ( -7.249 -2.195 -4.928) 9.036 6.819 ( 1.277 5.229 0.916) 5.461 7.202 ( -2.933 0.464 -0.605) 3.030 7.675 ( 6.027 0.649 1.059) 6.153 10.354 ( -4.768 7.634 -1.155) 9.075 11.384 ( 15.421 2.376 -0.928) 15.631 11.844 ( -1.503 -4.967 2.330) 5.689 12.018 ( -5.347 3.275 0.901) 6.334 12.616 ( 4.411 2.815 -0.033) 5.233 12.645 ( 4.175 2.639 -0.306) 4.949 31.813 ( -0.328 -0.948 -0.180) 1.020 31.890 ( -0.651 -0.603 0.271) 0.928 32.025 ( -0.102 0.547 -0.645) 0.852 32.055 ( -0.151 -0.135 0.345) 0.400 32.810 ( -1.303 -0.756 0.642) 1.638 32.853 ( 0.141 -0.484 -0.514) 0.720 36.313 ( -0.047 0.369 -0.164) 0.406 36.351 ( 0.982 0.411 -0.125) 1.072 36.390 ( -0.281 -0.163 0.174) 0.369 36.419 ( -0.786 -0.824 0.275) 1.172 68.814 ( 0.130 -0.085 0.160) 0.223 68.827 ( -0.476 -0.566 -0.173) 0.760 70.167 ( 0.524 0.221 -0.105) 0.578 70.293 ( -0.418 0.353 0.112) 0.558 70.932 ( 4.254 2.714 -1.596) 5.292 71.014 ( 1.959 2.301 -1.991) 3.619 71.520 ( -3.392 -1.474 1.950) 4.181 71.759 ( -1.241 -2.651 0.625) 2.993 ======================= Grid point 207 (68/231) ======================= q-point: (-0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -2.933 2.253 6.877) 7.808 2.856 ( 9.520 4.627 -15.809) 19.025 2.897 ( 0.496 3.121 0.164) 3.164 3.554 ( 4.345 4.839 -13.029) 14.562 3.879 ( -5.249 -1.185 4.133) 6.785 4.317 ( -7.544 -7.906 18.646) 21.612 5.281 ( 2.029 0.584 -7.033) 7.343 5.782 ( -4.139 -2.391 -6.837) 8.342 5.936 ( 3.132 0.424 -1.752) 3.614 6.847 ( -5.666 7.185 0.135) 9.151 7.190 ( 2.420 -2.857 1.361) 3.984 7.759 ( 3.485 -0.842 2.669) 4.470 10.324 ( -6.076 7.203 -3.805) 10.163 11.631 ( 11.603 0.735 -1.370) 11.707 11.710 ( -6.334 -9.716 3.210) 12.034 12.005 ( -2.628 6.151 2.467) 7.129 12.669 ( 0.162 -0.174 0.037) 0.240 12.696 ( 0.234 -0.053 -0.161) 0.289 31.803 ( 0.095 -0.556 -0.483) 0.743 31.884 ( 0.224 -0.167 0.496) 0.570 32.029 ( 0.196 0.580 -0.319) 0.690 32.053 ( -0.117 -0.037 0.426) 0.443 32.789 ( -0.574 -0.179 -0.109) 0.611 32.857 ( 0.708 -0.227 0.103) 0.751 36.313 ( -0.243 0.278 -0.298) 0.475 36.369 ( 0.507 0.132 0.164) 0.549 36.389 ( 0.062 0.005 0.300) 0.306 36.400 ( -0.391 -0.563 -0.118) 0.696 68.815 ( -0.192 -0.324 -0.047) 0.380 68.820 ( 0.428 0.012 0.116) 0.444 70.173 ( 0.179 -0.165 -0.067) 0.252 70.291 ( -0.401 0.591 0.083) 0.719 70.958 ( -1.325 -0.000 -3.461) 3.706 71.080 ( 2.742 1.883 1.505) 3.651 71.466 ( -2.008 -0.347 0.095) 2.040 71.738 ( 0.832 -1.491 0.872) 1.917 ======================= Grid point 208 (69/231) ======================= q-point: (-0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -11.354 -2.682 6.353) 13.285 2.924 ( 0.766 0.094 -8.865) 8.899 2.975 ( 1.083 5.434 1.452) 5.728 3.497 ( -4.111 -2.224 -5.818) 7.463 3.891 ( 2.853 2.431 -6.013) 7.086 4.192 ( -7.678 -5.396 14.674) 17.418 5.300 ( 3.619 -1.155 -6.828) 7.814 5.689 ( -2.860 3.476 -6.480) 7.891 6.013 ( 7.011 -1.469 -3.242) 7.863 6.782 ( -9.052 6.617 -0.502) 11.224 7.215 ( 2.077 -2.102 0.436) 2.987 7.803 ( 1.770 -2.880 6.421) 7.256 10.266 ( -6.583 6.729 -4.956) 10.639 11.452 ( -11.606 -10.823 2.199) 16.021 11.812 ( 9.115 -1.280 -0.105) 9.205 12.045 ( -1.163 5.751 2.841) 6.519 12.618 ( -4.618 -2.200 0.075) 5.116 12.650 ( -3.989 -2.374 -0.033) 4.642 31.803 ( 0.586 -0.156 -0.614) 0.863 31.897 ( 1.102 0.191 0.559) 1.250 32.039 ( 0.441 0.492 -0.248) 0.706 32.055 ( 0.027 0.150 0.616) 0.635 32.787 ( 0.317 0.302 -0.462) 0.636 32.872 ( 1.097 -0.014 0.413) 1.172 36.309 ( -0.348 0.203 -0.343) 0.529 36.362 ( -0.835 -0.596 0.417) 1.107 36.395 ( 0.399 0.147 0.347) 0.549 36.403 ( 0.804 0.168 -0.481) 0.951 68.811 ( 0.052 -0.151 0.023) 0.161 68.832 ( 0.770 0.143 0.071) 0.787 70.169 ( -0.307 -0.334 0.002) 0.453 70.291 ( -0.189 0.492 0.045) 0.529 70.882 ( -5.013 -1.343 -2.574) 5.793 71.134 ( 1.349 0.518 1.726) 2.251 71.446 ( -0.491 0.364 -0.887) 1.077 71.766 ( 2.958 -0.039 0.825) 3.071 ======================= Grid point 209 (70/231) ======================= q-point: (-0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -16.225 -4.506 5.947) 17.858 2.745 ( -14.834 -5.589 -2.970) 16.128 3.068 ( 1.388 6.472 0.473) 6.637 3.405 ( -1.865 -2.823 -2.601) 4.268 3.867 ( -13.002 -2.963 1.120) 13.382 4.069 ( 2.828 -2.520 -1.424) 4.046 5.341 ( 4.585 0.024 -5.917) 7.485 5.721 ( 2.671 7.189 -5.083) 9.201 6.116 ( 9.765 -4.442 -4.058) 11.470 6.689 ( -9.226 7.750 0.010) 12.049 7.198 ( -2.121 -1.242 -3.502) 4.278 7.817 ( 0.695 -4.924 11.476) 12.507 10.199 ( -6.446 6.106 -4.511) 9.959 11.131 ( -13.539 -11.298 2.128) 17.761 11.926 ( 6.157 -1.620 0.219) 6.370 12.088 ( -0.994 4.336 1.896) 4.836 12.476 ( -8.641 -3.054 0.114) 9.166 12.521 ( -7.398 -3.647 0.023) 8.248 31.814 ( 0.975 0.152 -0.590) 1.150 31.927 ( 1.793 0.391 0.499) 1.902 32.048 ( 0.321 0.216 -0.375) 0.539 32.065 ( 0.486 0.420 0.810) 1.034 32.800 ( 0.984 0.531 -0.496) 1.223 32.897 ( 1.480 0.203 0.486) 1.570 36.303 ( -0.343 0.164 -0.303) 0.487 36.343 ( -0.873 -0.572 0.291) 1.084 36.406 ( 0.502 0.260 0.342) 0.661 36.417 ( 0.764 0.118 -0.466) 0.903 68.814 ( 0.361 0.027 0.081) 0.371 68.849 ( 1.020 0.218 -0.032) 1.044 70.159 ( -0.569 -0.196 0.077) 0.607 70.292 ( -0.085 0.016 0.008) 0.087 70.755 ( -6.862 -1.643 -1.931) 7.315 71.152 ( 0.140 -0.260 0.802) 0.855 71.439 ( -0.500 0.109 -0.226) 0.559 71.841 ( 4.679 1.094 0.587) 4.841 ======================= Grid point 210 (71/231) ======================= q-point: (-0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -20.070 -5.591 6.138) 21.720 2.324 ( -24.750 -7.175 -3.599) 26.019 3.138 ( 0.073 4.890 -0.822) 4.959 3.280 ( -16.508 -6.016 -3.217) 17.862 3.475 ( -14.869 -6.381 6.647) 17.492 4.222 ( 12.665 2.475 -4.792) 13.766 5.383 ( 0.612 2.657 -6.249) 6.818 5.868 ( 8.431 5.934 -4.133) 11.107 6.203 ( 7.950 -7.742 -2.177) 11.309 6.651 ( -5.480 11.520 -0.970) 12.794 7.078 ( -7.565 -2.259 -5.622) 9.693 7.821 ( 0.370 -6.288 14.219) 15.552 10.135 ( -5.885 4.966 -2.894) 8.226 10.804 ( -13.015 -9.567 1.925) 16.268 11.995 ( 3.608 -1.519 -0.025) 3.915 12.105 ( -1.719 2.510 0.421) 3.071 12.281 ( -10.498 -2.386 0.182) 10.768 12.343 ( -8.531 -3.743 0.113) 9.317 31.833 ( 1.159 0.330 -0.432) 1.280 31.967 ( 2.138 0.371 0.344) 2.197 32.054 ( 0.250 0.195 -0.308) 0.442 32.082 ( 0.721 0.271 0.433) 0.883 32.825 ( 1.372 0.553 -0.192) 1.491 32.929 ( 1.734 0.300 0.432) 1.812 36.298 ( -0.283 0.135 -0.231) 0.390 36.325 ( -0.738 -0.423 0.165) 0.867 36.419 ( 0.492 0.298 0.261) 0.632 36.427 ( 0.537 0.004 -0.342) 0.637 68.824 ( 0.626 0.129 0.098) 0.647 68.870 ( 1.223 0.270 -0.139) 1.260 70.148 ( -0.567 0.069 0.119) 0.584 70.288 ( -0.099 -0.579 -0.012) 0.588 70.611 ( -7.378 -1.154 -1.411) 7.600 71.138 ( -0.923 -0.626 -3.006) 3.206 71.434 ( -0.529 -0.079 3.441) 3.482 71.941 ( 5.244 1.313 0.276) 5.412 ======================= Grid point 211 (72/231) ======================= q-point: (-0.08 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -23.155 -5.764 7.649) 25.058 1.754 ( -30.880 -6.569 -9.018) 32.834 2.659 ( -40.458 -7.426 11.623) 42.745 3.175 ( 0.095 2.747 -2.196) 3.518 3.374 ( -0.244 -3.112 -3.324) 4.560 4.467 ( 13.218 3.871 -2.315) 13.967 5.365 ( -2.778 3.643 -7.057) 8.414 6.060 ( 9.109 3.246 -4.941) 10.859 6.214 ( 2.311 -5.702 2.000) 6.469 6.669 ( -10.167 13.164 -7.649) 18.307 6.926 ( -0.557 -3.892 1.809) 4.328 7.802 ( -0.291 -8.448 12.899) 15.422 10.076 ( -4.865 3.213 -0.626) 5.863 10.530 ( -10.726 -5.705 1.013) 12.191 12.006 ( -2.052 -1.156 -0.072) 2.356 12.040 ( -7.189 -2.097 -0.766) 7.528 12.127 ( -5.058 2.056 -1.421) 5.642 12.196 ( -3.790 -2.499 0.831) 4.615 31.855 ( 1.112 0.394 -0.145) 1.189 32.007 ( 2.057 0.118 0.092) 2.063 32.059 ( 0.236 0.227 -0.267) 0.423 32.094 ( 0.517 -0.154 -0.753) 0.926 32.856 ( 1.576 0.436 0.591) 1.739 32.964 ( 1.752 0.186 0.536) 1.841 36.294 ( -0.204 0.108 -0.164) 0.283 36.310 ( -0.589 -0.261 0.019) 0.645 36.429 ( 0.414 0.129 0.006) 0.434 36.434 ( 0.323 0.125 0.083) 0.357 68.838 ( 0.765 0.114 0.092) 0.779 68.895 ( 1.334 0.264 -0.177) 1.372 70.142 ( -0.436 0.153 0.075) 0.468 70.279 ( -0.110 -0.795 0.007) 0.802 70.477 ( -6.893 -0.124 -0.860) 6.948 71.076 ( -2.864 -0.930 -11.009) 11.413 71.458 ( 0.793 0.051 10.656) 10.685 72.040 ( 4.787 0.829 0.051) 4.859 ======================= Grid point 215 (73/231) ======================= q-point: ( 0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.000 29.864 -4.410) 30.188 1.458 ( 0.000 20.272 22.650) 30.398 2.533 ( 0.000 36.888 25.086) 44.610 3.081 ( -0.000 -1.204 -7.331) 7.429 3.218 ( -0.000 2.595 -12.696) 12.959 4.515 ( -0.000 -10.038 -8.433) 13.111 5.081 ( -0.000 -0.890 -12.144) 12.176 5.843 ( -0.000 12.228 -16.420) 20.473 6.366 ( 0.000 -4.315 4.559) 6.277 6.439 ( 0.000 4.967 9.688) 10.887 7.114 ( 0.000 -9.336 8.614) 12.702 8.085 ( 0.000 0.216 5.899) 5.903 10.027 ( 0.000 0.267 2.627) 2.640 10.422 ( -0.000 13.141 1.034) 13.182 11.915 ( -0.000 7.652 -0.644) 7.679 11.966 ( -0.000 8.286 0.170) 8.288 12.026 ( -0.000 -1.135 -3.876) 4.039 12.159 ( -0.000 2.700 -2.214) 3.492 31.868 ( 0.000 -1.219 0.324) 1.262 32.033 ( 0.000 -1.476 -0.227) 1.494 32.044 ( -0.000 1.238 -2.429) 2.726 32.055 ( -0.000 0.821 -1.095) 1.369 32.907 ( 0.000 -3.119 1.157) 3.327 33.014 ( 0.000 -2.384 2.027) 3.129 36.288 ( -0.000 0.048 -0.210) 0.215 36.302 ( -0.000 0.616 -0.157) 0.636 36.436 ( 0.000 -0.350 0.113) 0.367 36.440 ( 0.000 -0.247 0.312) 0.398 68.852 ( 0.000 -0.748 0.348) 0.825 68.907 ( 0.000 -1.627 -0.299) 1.655 70.136 ( -0.000 0.185 -0.055) 0.193 70.288 ( 0.000 0.375 0.281) 0.468 70.355 ( -0.000 5.500 -1.891) 5.816 70.724 ( -0.000 11.678 -12.449) 17.069 71.754 ( 0.000 -7.055 10.955) 13.030 72.097 ( 0.000 -3.906 -0.050) 3.907 ======================= Grid point 216 (74/231) ======================= q-point: ( 0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 4.976 27.836 -8.420) 29.505 1.767 ( 3.038 20.128 18.588) 27.566 2.953 ( 4.215 7.390 -5.547) 10.156 3.065 ( 3.151 1.963 -5.258) 6.437 3.285 ( 5.040 21.603 9.287) 24.049 4.417 ( 1.859 -7.994 -3.737) 9.018 5.141 ( 10.979 -1.105 -10.943) 15.540 5.882 ( 0.431 4.486 -9.575) 10.582 6.273 ( -3.489 -9.451 4.322) 10.962 6.652 ( 12.266 4.652 4.843) 13.984 7.022 ( -4.010 -5.657 6.738) 9.668 7.999 ( -12.203 3.166 2.417) 12.837 10.102 ( 6.867 0.704 2.839) 7.464 10.557 ( -0.378 13.731 1.570) 13.825 11.969 ( -2.255 0.895 -2.415) 3.423 12.021 ( 3.314 7.145 -0.975) 7.937 12.107 ( 4.702 7.310 -0.380) 8.700 12.185 ( 0.160 4.574 -1.859) 4.940 31.858 ( 0.081 -1.457 0.369) 1.505 32.005 ( -1.171 -1.537 -0.311) 1.957 32.043 ( 0.038 0.333 -1.457) 1.495 32.061 ( -0.045 0.720 -1.040) 1.265 32.877 ( -0.565 -2.449 0.834) 2.649 32.986 ( -1.157 -2.354 1.292) 2.924 36.290 ( 0.267 0.092 -0.177) 0.333 36.308 ( 0.023 0.709 -0.154) 0.726 36.429 ( -0.340 -0.349 0.067) 0.492 36.442 ( 0.353 -0.453 0.428) 0.716 68.843 ( -0.362 -0.727 0.326) 0.875 68.887 ( -0.360 -1.428 -0.446) 1.538 70.141 ( 0.189 0.374 -0.102) 0.431 70.281 ( -0.579 0.506 0.184) 0.791 70.453 ( 4.631 5.548 -1.244) 7.333 70.800 ( 1.655 8.832 -9.959) 13.413 71.712 ( -1.879 -5.108 8.982) 10.502 72.039 ( -1.828 -4.428 -0.092) 4.792 ======================= Grid point 217 (75/231) ======================= q-point: ( 0.38 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 9.121 21.959 -13.304) 27.246 2.079 ( 3.405 19.226 13.279) 23.613 2.892 ( 0.647 -3.644 -18.035) 18.411 3.136 ( 3.907 3.028 -4.737) 6.846 3.773 ( 10.726 23.199 17.211) 30.814 4.394 ( 4.108 -6.539 2.984) 8.278 5.277 ( 7.352 1.523 -7.683) 10.743 5.883 ( 2.083 -5.123 -3.113) 6.347 6.116 ( -1.296 -12.907 0.275) 12.974 6.785 ( -2.436 -1.774 -0.182) 3.019 7.080 ( 11.170 4.817 5.164) 13.215 7.793 ( -16.252 4.837 0.416) 16.962 10.280 ( 9.370 3.324 3.401) 10.508 10.693 ( 1.586 11.481 0.366) 11.595 11.927 ( -2.030 -0.107 -1.347) 2.438 12.119 ( 1.861 2.336 -1.415) 3.306 12.263 ( 4.041 8.609 -0.249) 9.514 12.284 ( 5.158 8.340 -0.570) 9.822 31.844 ( -0.117 -1.600 0.349) 1.642 31.965 ( -1.473 -1.485 -0.252) 2.106 32.040 ( -0.208 0.372 -1.152) 1.228 32.060 ( -0.142 0.190 -0.466) 0.522 32.850 ( -0.422 -1.738 0.645) 1.902 32.941 ( -1.858 -2.154 0.533) 2.895 36.297 ( 0.486 0.192 -0.109) 0.534 36.316 ( 0.079 0.721 -0.173) 0.745 36.419 ( -0.508 -0.362 0.058) 0.626 36.443 ( 0.162 -0.685 0.468) 0.845 68.829 ( -0.488 -0.582 0.256) 0.801 68.865 ( -0.502 -1.172 -0.432) 1.346 70.147 ( 0.060 0.532 -0.102) 0.545 70.284 ( 0.306 0.311 0.223) 0.489 70.595 ( 5.815 5.425 -0.774) 7.990 70.875 ( 2.094 6.499 -7.606) 10.221 71.665 ( -2.056 -3.675 6.928) 8.107 71.950 ( -3.181 -4.621 -0.206) 5.614 ======================= Grid point 218 (76/231) ======================= q-point: ( 0.46 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 11.236 13.932 -16.669) 24.459 2.358 ( 3.114 17.651 8.413) 19.800 2.840 ( 3.965 -2.627 -12.947) 13.793 3.232 ( 3.338 7.361 -3.715) 8.896 4.102 ( 2.857 8.168 9.050) 12.522 4.446 ( 4.503 -4.694 9.619) 11.612 5.343 ( -0.394 4.327 -4.388) 6.175 5.782 ( -1.928 -11.340 1.411) 11.589 6.054 ( 6.280 -9.577 -3.262) 11.908 6.719 ( -2.060 2.550 -3.861) 5.065 7.354 ( 12.446 2.266 3.834) 13.218 7.568 ( -15.436 5.234 -0.372) 16.303 10.468 ( 2.717 9.028 3.016) 9.899 10.863 ( 9.630 5.400 -1.566) 11.151 11.888 ( -1.677 -1.304 0.811) 2.274 12.136 ( -1.075 1.831 -0.899) 2.305 12.428 ( 5.318 7.566 -0.269) 9.252 12.456 ( 5.897 6.621 -0.225) 8.870 31.826 ( -0.293 -1.552 0.178) 1.589 31.926 ( -1.361 -1.245 -0.049) 1.845 32.035 ( -0.369 0.435 -0.887) 1.055 32.058 ( -0.063 -0.007 -0.044) 0.077 32.834 ( -0.125 -1.217 0.699) 1.409 32.889 ( -1.972 -1.703 -0.163) 2.611 36.309 ( 0.463 0.389 -0.042) 0.606 36.324 ( 0.324 0.600 -0.214) 0.715 36.406 ( -0.556 -0.347 0.095) 0.662 36.437 ( -0.209 -0.876 0.406) 0.988 68.818 ( -0.352 -0.393 0.205) 0.566 68.845 ( -0.506 -0.932 -0.334) 1.112 70.154 ( 0.167 0.467 -0.071) 0.501 70.295 ( 0.335 0.395 0.178) 0.548 70.745 ( 5.953 4.884 -0.788) 7.740 70.942 ( 2.086 4.743 -5.158) 7.311 71.621 ( -2.139 -2.735 4.864) 5.976 71.845 ( -3.482 -4.510 -0.216) 5.702 ======================= Grid point 219 (77/231) ======================= q-point: ( 0.54 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 12.483 7.126 -15.065) 20.822 2.590 ( 2.529 14.380 4.182) 15.188 2.861 ( 4.165 -0.888 -6.801) 8.025 3.369 ( 3.697 11.239 -4.971) 12.833 4.139 ( -4.755 -0.648 5.298) 7.148 4.456 ( -0.564 -9.011 11.801) 14.859 5.320 ( -4.223 3.378 -4.707) 7.169 5.704 ( 3.464 -7.612 1.839) 8.563 6.032 ( -0.280 -3.393 -4.480) 5.627 6.772 ( 5.747 4.355 -3.812) 8.156 7.364 ( -11.412 0.938 1.688) 11.574 7.566 ( 7.619 2.360 1.587) 8.133 10.553 ( -5.609 12.706 -0.235) 13.891 11.115 ( 16.165 0.763 -1.318) 16.237 11.840 ( -2.114 -4.209 2.806) 5.482 12.124 ( -2.865 3.405 0.038) 4.450 12.571 ( 4.444 4.101 -0.202) 6.050 12.600 ( 4.547 4.020 -0.189) 6.072 31.806 ( -0.260 -1.302 -0.086) 1.331 31.896 ( -0.895 -0.881 0.200) 1.272 32.031 ( -0.250 0.491 -0.647) 0.850 32.057 ( -0.082 -0.015 0.230) 0.245 32.823 ( -0.590 -0.954 0.943) 1.465 32.847 ( -0.794 -0.975 -0.761) 1.470 36.318 ( 0.036 0.613 -0.115) 0.625 36.338 ( 0.832 0.378 -0.157) 0.928 36.395 ( -0.408 -0.268 0.175) 0.518 36.422 ( -0.556 -0.986 0.282) 1.167 68.812 ( -0.056 -0.234 0.180) 0.301 68.828 ( -0.414 -0.711 -0.217) 0.850 70.161 ( 0.325 0.209 -0.058) 0.391 70.303 ( -0.073 0.661 0.112) 0.674 70.879 ( 4.918 3.701 -1.607) 6.362 71.001 ( 1.875 3.420 -2.383) 4.570 71.570 ( -2.963 -1.756 2.633) 4.335 71.753 ( -1.998 -4.127 0.244) 4.591 ======================= Grid point 220 (78/231) ======================= q-point: ( 0.62 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 9.608 2.324 -6.421) 11.788 2.738 ( 1.855 7.590 -5.804) 9.733 2.913 ( 2.531 3.694 1.094) 4.610 3.515 ( 2.868 9.738 -9.589) 13.965 4.008 ( -9.163 -1.339 3.063) 9.753 4.383 ( -2.011 -10.282 16.235) 19.322 5.257 ( -2.489 0.732 -6.032) 6.566 5.719 ( 4.048 -5.714 0.399) 7.014 5.966 ( -3.789 3.383 -7.217) 8.826 6.930 ( 6.264 6.197 -1.633) 8.961 7.200 ( -7.917 -1.695 1.968) 8.332 7.687 ( 4.713 -0.414 2.177) 5.208 10.544 ( -8.953 12.946 -3.286) 16.080 11.389 ( 15.591 -0.633 -0.426) 15.610 11.733 ( -5.030 -8.390 3.239) 10.305 12.118 ( -2.819 5.143 1.350) 6.018 12.652 ( 2.008 1.015 -0.048) 2.251 12.680 ( 1.871 1.044 -0.224) 2.154 31.792 ( 0.025 -0.896 -0.304) 0.947 31.881 ( -0.176 -0.502 0.372) 0.649 32.032 ( -0.002 0.522 -0.473) 0.705 32.057 ( -0.107 0.048 0.407) 0.424 32.800 ( -1.041 -0.410 0.065) 1.121 32.841 ( 0.711 -0.605 -0.040) 0.934 36.321 ( -0.309 0.600 -0.269) 0.726 36.357 ( 0.996 0.269 0.011) 1.031 36.389 ( -0.084 -0.120 0.253) 0.292 36.402 ( -0.692 -0.970 0.106) 1.196 68.813 ( 0.220 -0.156 0.127) 0.298 68.815 ( -0.176 -0.462 -0.085) 0.502 70.167 ( 0.288 -0.109 -0.057) 0.313 70.306 ( -0.446 0.861 0.067) 0.973 70.955 ( 1.331 1.808 -2.782) 3.575 71.061 ( 2.309 2.352 0.256) 3.306 71.509 ( -3.221 -0.517 0.670) 3.330 71.705 ( 0.504 -3.253 0.857) 3.401 ======================= Grid point 221 (79/231) ======================= q-point: (-0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -5.072 -1.757 4.863) 7.243 2.814 ( 6.551 3.785 -16.316) 17.984 3.026 ( 2.136 6.140 6.748) 9.370 3.526 ( -3.988 2.533 -10.992) 11.964 3.895 ( -3.601 0.243 -0.485) 3.641 4.319 ( -4.376 -5.320 17.612) 18.912 5.211 ( 0.715 -1.798 -6.967) 7.231 5.724 ( 1.799 -1.776 0.250) 2.540 5.935 ( -1.172 4.408 -8.451) 9.604 7.005 ( -8.046 7.358 -1.297) 10.981 7.133 ( 4.700 -2.668 1.822) 5.703 7.743 ( 3.021 -3.303 3.670) 5.789 10.489 ( -10.058 12.256 -4.472) 16.474 11.525 ( -9.006 -11.254 2.617) 14.649 11.619 ( 12.266 -1.104 0.381) 12.321 12.136 ( -1.940 4.941 1.945) 5.653 12.656 ( -1.614 -0.908 0.111) 1.856 12.680 ( -1.673 -1.229 -0.264) 2.092 31.789 ( 0.465 -0.444 -0.394) 0.753 31.884 ( 0.664 -0.195 0.416) 0.807 32.037 ( 0.225 0.446 -0.384) 0.630 32.058 ( -0.019 0.151 0.507) 0.530 32.787 ( -0.279 0.141 -0.235) 0.391 32.852 ( 1.145 -0.425 0.216) 1.240 36.318 ( -0.493 0.487 -0.327) 0.766 36.370 ( -0.292 -0.331 0.455) 0.634 36.386 ( 0.465 -0.302 -0.252) 0.609 36.393 ( 0.309 0.004 0.154) 0.345 68.809 ( -0.015 -0.282 -0.006) 0.282 68.821 ( 0.615 -0.051 0.077) 0.622 70.168 ( 0.046 -0.288 -0.044) 0.295 70.306 ( -0.615 0.765 0.047) 0.982 70.939 ( -3.063 0.367 -2.204) 3.791 71.116 ( 1.871 0.854 0.529) 2.123 71.467 ( -1.746 0.468 -0.113) 1.811 71.711 ( 2.700 -1.754 0.903) 3.344 ======================= Grid point 222 (80/231) ======================= q-point: (-0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -12.979 -2.662 4.936) 14.139 2.843 ( -2.073 0.381 -10.817) 11.020 3.132 ( 0.750 5.903 3.909) 7.120 3.409 ( -5.078 -0.894 -7.600) 9.185 3.876 ( 2.437 0.550 -3.006) 3.908 4.207 ( -12.080 -4.294 13.142) 18.360 5.218 ( 5.264 -1.029 -4.702) 7.133 5.777 ( 1.682 5.778 0.703) 6.059 5.933 ( 2.759 -0.963 -8.403) 8.897 6.902 ( -8.031 3.228 0.363) 8.663 7.201 ( 0.985 3.015 -2.167) 3.841 7.759 ( 2.533 -6.490 6.184) 9.316 10.414 ( -10.167 10.823 -3.782) 15.323 11.239 ( -11.676 -11.793 2.141) 16.733 11.788 ( 8.725 -1.073 0.474) 8.804 12.155 ( -1.557 3.336 1.468) 3.964 12.581 ( -5.809 -1.393 0.169) 5.976 12.600 ( -5.343 -2.325 -0.259) 5.833 31.796 ( 0.895 -0.056 -0.347) 0.962 31.902 ( 1.458 -0.027 0.345) 1.499 32.044 ( 0.292 0.276 -0.332) 0.521 32.064 ( 0.256 0.198 0.447) 0.552 32.791 ( 0.475 0.395 -0.213) 0.653 32.872 ( 1.525 -0.226 0.237) 1.560 36.312 ( -0.527 0.381 -0.281) 0.708 36.352 ( -0.865 -0.612 0.224) 1.083 36.400 ( 0.740 0.151 0.275) 0.804 36.402 ( 0.705 0.022 -0.220) 0.739 68.809 ( 0.250 -0.111 0.057) 0.279 68.834 ( 0.900 0.013 -0.016) 0.900 70.163 ( -0.217 -0.216 -0.013) 0.306 70.300 ( -0.650 0.331 0.042) 0.731 70.852 ( -6.076 -0.137 -1.454) 6.249 71.142 ( 0.756 -0.155 -0.594) 0.974 71.453 ( -0.757 0.450 0.724) 1.140 71.767 ( 4.554 -0.301 0.568) 4.599 ======================= Grid point 223 (81/231) ======================= q-point: (-0.15 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -17.666 -3.048 4.933) 18.593 2.627 ( -17.650 -1.840 -8.295) 19.589 3.201 ( 0.524 5.522 -3.289) 6.448 3.296 ( -2.816 -3.045 -6.199) 7.458 3.843 ( -20.283 -2.708 7.097) 21.659 4.051 ( 6.666 0.545 5.277) 8.520 5.326 ( 6.766 1.901 -1.924) 7.287 5.855 ( -0.649 7.978 -4.182) 9.031 5.983 ( 9.632 -4.410 -2.111) 10.802 6.817 ( -5.245 2.715 0.337) 5.916 7.186 ( -5.799 4.478 -4.393) 8.543 7.754 ( 2.655 -8.760 7.178) 11.632 10.326 ( -9.650 7.665 -1.606) 12.428 10.935 ( -12.266 -8.616 1.443) 15.058 11.903 ( 5.758 -0.782 -0.131) 5.813 12.156 ( -1.543 1.373 0.601) 2.151 12.439 ( -9.359 -0.758 0.080) 9.390 12.459 ( -8.163 -2.099 -0.190) 8.431 31.814 ( 1.186 0.203 -0.169) 1.215 31.933 ( 2.023 -0.042 0.175) 2.031 32.050 ( 0.268 0.190 -0.242) 0.408 32.073 ( 0.528 -0.023 0.046) 0.530 32.808 ( 1.070 0.402 0.058) 1.145 32.900 ( 1.831 -0.128 0.157) 1.842 36.306 ( -0.472 0.271 -0.187) 0.575 36.334 ( -0.773 -0.404 0.064) 0.875 36.412 ( 0.586 -0.006 -0.081) 0.592 36.416 ( 0.722 0.168 0.237) 0.778 68.815 ( 0.508 -0.020 0.082) 0.515 68.851 ( 1.140 0.063 -0.113) 1.147 70.157 ( -0.367 -0.036 -0.002) 0.369 70.291 ( -0.625 -0.115 0.053) 0.637 70.730 ( -7.419 0.171 -0.813) 7.466 71.133 ( -0.607 -0.524 -3.640) 3.727 71.455 ( -0.267 0.183 3.597) 3.612 71.857 ( 5.530 0.196 0.175) 5.536 ======================= Grid point 224 (82/231) ======================= q-point: (-0.08 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -20.973 -2.417 5.800) 21.894 2.179 ( -27.416 -1.150 -12.339) 30.086 3.186 ( -8.240 -1.986 -2.983) 8.985 3.221 ( -3.050 4.270 -3.153) 6.121 3.418 ( -22.032 -3.080 7.965) 23.629 4.287 ( 12.449 4.252 4.846) 14.019 5.408 ( 0.397 2.531 -3.234) 4.126 5.938 ( 7.107 2.280 -2.220) 7.787 6.117 ( 6.493 1.874 0.911) 6.819 6.787 ( 0.475 -0.004 -0.045) 0.478 7.066 ( -12.396 6.369 -2.611) 14.179 7.720 ( 1.710 -10.879 4.144) 11.766 10.223 ( -8.144 2.673 1.348) 8.677 10.682 ( -11.485 -1.747 0.317) 11.622 11.969 ( 3.051 -0.515 -1.550) 3.461 12.131 ( -2.654 0.092 0.048) 2.656 12.267 ( -9.412 -0.148 -0.105) 9.413 12.293 ( -9.373 -0.184 -0.184) 9.377 31.838 ( 1.279 0.312 0.135) 1.324 31.969 ( 2.217 -0.240 -0.087) 2.232 32.055 ( 0.263 0.143 -0.197) 0.358 32.079 ( 0.491 -0.437 -0.804) 1.039 32.835 ( 1.474 0.249 0.541) 1.590 32.932 ( 2.002 -0.256 0.197) 2.028 36.300 ( -0.368 0.163 -0.090) 0.413 36.319 ( -0.669 -0.160 -0.091) 0.694 36.420 ( 0.545 -0.196 -0.194) 0.611 36.431 ( 0.526 0.327 0.526) 0.812 68.826 ( 0.705 -0.046 0.079) 0.711 68.872 ( 1.321 0.056 -0.173) 1.334 70.150 ( -0.459 -0.105 -0.069) 0.476 70.280 ( -0.444 0.055 0.110) 0.461 70.604 ( -7.585 0.880 -0.144) 7.637 71.079 ( -2.559 -0.441 -8.592) 8.975 71.480 ( 0.757 -0.032 7.934) 7.970 71.953 ( 5.569 -0.175 -0.076) 5.572 ======================= Grid point 229 (83/231) ======================= q-point: ( 0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -0.000 26.668 -8.720) 28.057 2.007 ( 0.000 18.856 19.278) 26.966 2.921 ( -0.000 -1.027 -18.225) 18.253 3.005 ( -0.000 -0.576 -7.456) 7.478 3.557 ( -0.000 30.946 17.752) 35.676 4.326 ( 0.000 -5.385 -0.150) 5.387 4.969 ( -0.000 -1.065 -12.298) 12.344 5.903 ( -0.000 -0.629 -1.131) 1.294 6.227 ( 0.000 -9.239 -3.107) 9.747 6.605 ( 0.000 4.493 8.574) 9.680 7.030 ( 0.000 -3.170 4.261) 5.311 8.125 ( -0.000 0.836 -0.650) 1.059 10.047 ( 0.000 -0.319 2.583) 2.603 10.722 ( -0.000 15.882 1.768) 15.980 11.987 ( -0.000 -0.525 -1.879) 1.951 12.049 ( -0.000 5.326 -1.146) 5.448 12.156 ( -0.000 10.478 0.353) 10.484 12.232 ( -0.000 7.259 -2.066) 7.548 31.844 ( 0.000 -1.448 0.341) 1.488 31.998 ( 0.000 -1.806 -0.176) 1.815 32.035 ( -0.000 -0.175 -1.125) 1.139 32.068 ( -0.000 0.882 -1.019) 1.348 32.860 ( 0.000 -2.414 0.724) 2.521 32.976 ( 0.000 -2.562 0.907) 2.718 36.288 ( -0.000 0.097 -0.151) 0.179 36.315 ( -0.000 0.840 -0.161) 0.855 36.429 ( 0.000 -0.454 0.080) 0.461 36.437 ( 0.000 -0.389 0.453) 0.597 68.840 ( 0.000 -0.734 0.372) 0.823 68.875 ( 0.000 -1.320 -0.535) 1.424 70.141 ( -0.000 0.389 -0.120) 0.407 70.296 ( 0.000 0.195 0.240) 0.309 70.466 ( -0.000 6.872 -1.440) 7.021 70.839 ( -0.000 8.131 -7.970) 11.386 71.706 ( 0.000 -5.269 7.414) 9.095 72.009 ( 0.000 -4.758 0.006) 4.758 ======================= Grid point 230 (84/231) ======================= q-point: ( 0.38 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 1.143 21.124 -12.210) 24.426 2.274 ( 2.046 17.677 15.769) 23.777 2.797 ( -1.600 -2.314 -19.765) 19.965 3.039 ( 6.206 0.826 -6.517) 9.037 3.954 ( 3.820 24.634 15.176) 29.185 4.311 ( 1.892 -1.934 5.407) 6.046 5.034 ( 12.797 -1.349 -10.373) 16.528 5.836 ( -2.413 -9.183 4.435) 10.480 6.072 ( -5.019 -7.918 -5.262) 10.751 6.745 ( 5.689 1.788 4.297) 7.351 7.033 ( 1.484 2.652 2.691) 4.059 8.039 ( -9.037 0.514 -2.205) 9.317 10.128 ( 8.629 -0.142 2.577) 9.007 10.863 ( -2.677 15.889 0.900) 16.138 11.958 ( -1.978 -0.393 -0.220) 2.028 12.104 ( 1.904 2.651 -1.755) 3.706 12.289 ( 2.899 10.116 0.313) 10.527 12.320 ( 1.392 9.529 -1.362) 9.726 31.831 ( -0.041 -1.501 0.327) 1.537 31.970 ( -0.984 -1.669 -0.192) 1.947 32.033 ( 0.374 -0.230 -0.891) 0.993 32.068 ( -0.363 0.516 -0.622) 0.886 32.839 ( -0.146 -1.934 0.655) 2.047 32.945 ( -0.984 -2.426 0.359) 2.643 36.291 ( 0.324 0.137 -0.094) 0.365 36.323 ( -0.041 0.908 -0.181) 0.926 36.422 ( -0.286 -0.439 0.075) 0.530 36.436 ( 0.151 -0.594 0.471) 0.773 68.832 ( -0.300 -0.620 0.333) 0.765 68.858 ( -0.246 -1.092 -0.504) 1.228 70.148 ( 0.264 0.429 -0.128) 0.520 70.292 ( -0.437 0.371 0.214) 0.612 70.564 ( 3.744 6.515 -1.096) 7.594 70.892 ( 0.706 6.769 -6.222) 9.221 71.673 ( -0.888 -4.727 5.815) 7.546 71.946 ( -1.819 -4.728 -0.016) 5.066 ======================= Grid point 231 (85/231) ======================= q-point: ( 0.46 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 3.732 11.959 -17.027) 21.139 2.529 ( 1.781 16.370 11.150) 19.886 2.728 ( 1.808 1.530 -13.168) 13.380 3.170 ( 8.576 3.946 -4.608) 10.505 4.162 ( 0.612 1.982 6.497) 6.820 4.431 ( 2.191 8.791 10.320) 13.732 5.247 ( 13.948 0.727 -4.647) 14.720 5.694 ( -1.766 -13.859 3.023) 14.294 5.911 ( -2.479 -5.736 -3.591) 7.207 6.784 ( -2.423 3.116 -2.938) 4.921 7.191 ( 10.032 2.247 4.896) 11.387 7.847 ( -12.672 1.520 -2.506) 13.006 10.345 ( 14.515 1.036 2.679) 14.796 10.948 ( -4.682 14.358 -1.224) 15.151 11.915 ( -2.392 -1.487 1.579) 3.229 12.147 ( 1.306 2.063 -1.622) 2.931 12.438 ( 3.034 8.572 -0.210) 9.095 12.447 ( 3.416 8.159 -0.316) 8.851 31.815 ( -0.196 -1.474 0.222) 1.504 31.935 ( -1.211 -1.372 -0.093) 1.832 32.034 ( 0.253 -0.198 -0.628) 0.705 32.064 ( -0.378 0.366 -0.308) 0.609 32.824 ( 0.015 -1.405 0.626) 1.538 32.901 ( -1.543 -1.982 -0.117) 2.515 36.301 ( 0.625 0.211 -0.024) 0.660 36.330 ( -0.086 0.910 -0.222) 0.940 36.412 ( -0.458 -0.421 0.106) 0.631 36.432 ( -0.021 -0.828 0.398) 0.919 68.821 ( -0.384 -0.450 0.260) 0.646 68.842 ( -0.369 -0.865 -0.386) 1.017 70.155 ( 0.139 0.352 -0.075) 0.386 70.295 ( 0.206 0.534 0.182) 0.601 70.698 ( 4.999 5.665 -1.015) 7.623 70.948 ( 1.081 5.336 -4.349) 6.968 71.632 ( -1.000 -4.003 4.310) 5.966 71.857 ( -3.161 -4.415 -0.154) 5.432 ======================= Grid point 232 (86/231) ======================= q-point: ( 0.54 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 8.595 5.173 -16.562) 19.363 2.712 ( 0.940 10.427 -3.262) 10.966 2.794 ( 3.307 6.845 4.126) 8.650 3.361 ( 8.104 8.333 -4.468) 12.453 4.167 ( 0.581 -5.518 6.714) 8.709 4.488 ( -5.793 1.063 5.391) 7.985 5.400 ( 0.456 3.318 -1.534) 3.684 5.578 ( 2.189 -9.620 2.083) 10.084 5.888 ( 7.422 -5.117 -2.806) 9.441 6.774 ( -1.313 6.707 -5.035) 8.488 7.366 ( 7.003 -4.355 4.780) 9.531 7.660 ( -9.939 5.038 -1.911) 11.306 10.633 ( 13.368 4.477 2.686) 14.352 10.989 ( -2.700 10.362 -3.709) 11.333 11.854 ( -2.891 -3.996 2.929) 5.737 12.179 ( 0.022 2.899 -0.681) 2.978 12.553 ( 2.732 5.250 -0.381) 5.930 12.576 ( 3.424 5.275 0.024) 6.289 31.798 ( -0.265 -1.277 0.043) 1.305 31.904 ( -1.021 -1.002 0.077) 1.433 32.033 ( 0.073 -0.052 -0.445) 0.454 32.061 ( -0.209 0.304 -0.039) 0.371 32.817 ( 0.240 -1.030 0.624) 1.228 32.856 ( -1.561 -1.292 -0.429) 2.071 36.316 ( 0.774 0.338 0.038) 0.845 36.336 ( -0.060 0.803 -0.281) 0.853 36.400 ( -0.460 -0.375 0.155) 0.613 36.421 ( -0.325 -0.982 0.281) 1.072 68.813 ( -0.244 -0.300 0.196) 0.433 68.826 ( -0.378 -0.660 -0.251) 0.802 70.159 ( 0.107 0.186 -0.027) 0.217 70.308 ( 0.361 0.678 0.106) 0.775 70.830 ( 4.820 4.538 -1.276) 6.742 71.001 ( 1.301 3.902 -2.365) 4.744 71.594 ( -1.061 -2.894 2.873) 4.213 71.757 ( -3.393 -4.049 -0.206) 5.287 ======================= Grid point 233 (87/231) ======================= q-point: ( 0.62 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 12.457 2.576 -11.141) 16.910 2.768 ( 0.496 4.970 -9.832) 11.028 2.945 ( 1.722 6.714 11.853) 13.731 3.545 ( 3.712 11.002 -7.382) 13.760 4.137 ( -2.313 -3.522 5.477) 6.911 4.351 ( -5.479 -7.819 6.235) 11.403 5.341 ( -6.727 1.715 -2.926) 7.534 5.583 ( 4.976 -6.547 2.768) 8.676 5.973 ( 4.611 1.134 -5.490) 7.259 6.861 ( 5.070 7.027 -2.229) 8.947 7.316 ( -5.520 -6.096 1.275) 8.322 7.649 ( 0.889 3.973 1.279) 4.267 10.816 ( -4.877 13.682 -1.024) 14.561 11.110 ( 13.433 0.518 -1.754) 13.557 11.748 ( -4.598 -7.503 3.248) 9.380 12.201 ( -1.134 3.677 0.444) 3.873 12.630 ( 2.064 2.213 -0.201) 3.033 12.659 ( 2.041 1.943 -0.098) 2.820 31.783 ( -0.113 -0.913 -0.117) 0.927 31.883 ( -0.545 -0.639 0.204) 0.864 32.033 ( 0.083 0.140 -0.348) 0.384 32.061 ( -0.144 0.226 0.178) 0.322 32.812 ( -0.443 -0.642 0.404) 0.879 32.826 ( -0.225 -0.695 -0.362) 0.815 36.331 ( 0.115 0.710 -0.081) 0.724 36.344 ( 0.597 0.348 -0.164) 0.710 36.391 ( -0.232 -0.260 0.195) 0.399 36.404 ( -0.593 -1.014 0.165) 1.187 68.809 ( 0.034 -0.194 0.139) 0.241 68.814 ( -0.283 -0.465 -0.131) 0.560 70.162 ( 0.148 -0.017 -0.020) 0.151 70.319 ( 0.027 0.774 0.042) 0.775 70.931 ( 3.050 3.038 -1.655) 4.612 71.051 ( 1.552 2.501 -0.625) 3.009 71.558 ( -2.124 -0.869 1.227) 2.602 71.673 ( -1.296 -3.987 0.273) 4.201 ======================= Grid point 234 (88/231) ======================= q-point: (-0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 10.649 0.779 -3.626) 11.276 2.760 ( -1.065 3.857 -12.549) 13.171 3.068 ( 1.925 2.619 12.706) 13.115 3.611 ( -3.506 7.985 -9.246) 12.709 4.015 ( -9.903 0.616 -1.089) 9.982 4.308 ( 4.768 -8.522 12.372) 15.762 5.227 ( -5.763 0.205 -2.918) 6.462 5.618 ( 5.029 -5.031 1.539) 7.278 6.010 ( -1.413 6.334 -7.167) 9.669 7.031 ( 6.927 3.704 1.078) 7.929 7.161 ( -6.227 -2.024 -0.965) 6.619 7.693 ( 1.026 -0.757 2.176) 2.522 10.792 ( -11.145 14.002 -3.514) 18.238 11.370 ( 15.609 -0.978 0.019) 15.640 11.568 ( -7.362 -10.215 3.111) 12.970 12.215 ( -1.656 3.260 0.997) 3.790 12.663 ( 0.246 0.291 0.024) 0.382 12.684 ( 0.084 -0.329 -0.255) 0.425 31.777 ( 0.242 -0.471 -0.187) 0.561 31.875 ( 0.125 -0.351 0.240) 0.443 32.036 ( 0.169 0.256 -0.299) 0.428 32.062 ( -0.089 0.120 0.285) 0.322 32.796 ( -0.710 0.035 -0.125) 0.722 32.829 ( 0.972 -0.596 0.120) 1.146 36.332 ( -0.560 0.697 -0.266) 0.933 36.362 ( 1.076 0.169 0.133) 1.098 36.383 ( -0.713 -0.857 -0.008) 1.115 36.389 ( 0.137 -0.161 0.201) 0.292 68.807 ( -0.115 -0.268 -0.030) 0.293 68.811 ( 0.362 -0.123 0.068) 0.388 70.164 ( 0.111 -0.146 -0.028) 0.186 70.323 ( -0.436 0.668 0.019) 0.798 70.972 ( -0.398 1.535 -1.429) 2.134 71.096 ( 1.633 1.060 -0.048) 1.947 71.513 ( -2.925 0.628 0.082) 2.993 71.648 ( 2.159 -2.976 0.765) 3.756 ======================= Grid point 235 (89/231) ======================= q-point: (-0.23 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -4.920 -2.103 3.895) 6.618 2.776 ( 4.760 5.175 -15.816) 17.308 3.151 ( 1.725 -1.084 7.444) 7.718 3.541 ( -8.693 5.841 -3.756) 11.126 3.879 ( -3.932 -0.015 -2.189) 4.500 4.330 ( -1.255 -5.863 9.093) 10.892 5.160 ( -0.712 0.963 -0.563) 1.324 5.680 ( 6.687 -2.863 0.495) 7.291 6.000 ( -4.503 7.197 -6.278) 10.559 7.005 ( -4.705 -3.495 0.268) 5.867 7.211 ( 3.708 6.387 -1.167) 7.477 7.686 ( 0.472 -4.551 2.599) 5.262 10.705 ( -11.971 10.771 -2.366) 16.277 11.320 ( -9.640 -9.610 0.365) 13.617 11.609 ( 11.800 -0.590 1.800) 11.951 12.213 ( -1.802 1.505 0.707) 2.452 12.642 ( -2.546 -0.580 0.058) 2.612 12.655 ( -2.784 -0.659 -0.230) 2.870 31.781 ( 0.675 -0.066 -0.144) 0.693 31.882 ( 0.874 -0.193 0.184) 0.914 32.041 ( 0.224 0.254 -0.252) 0.423 32.063 ( 0.059 -0.044 0.216) 0.228 32.791 ( -0.091 0.271 -0.007) 0.286 32.845 ( 1.380 -0.363 0.024) 1.428 36.326 ( -0.673 0.466 -0.197) 0.842 36.362 ( -0.831 -0.555 0.057) 1.001 36.384 ( 1.102 0.062 0.037) 1.105 36.394 ( 0.435 -0.035 0.153) 0.462 68.805 ( 0.096 -0.109 0.034) 0.149 68.820 ( 0.675 -0.056 -0.012) 0.677 70.163 ( -0.008 -0.118 -0.029) 0.121 70.317 ( -0.789 0.323 0.032) 0.853 70.939 ( -4.031 0.751 -0.792) 4.176 71.122 ( 1.022 -0.001 -0.853) 1.331 71.481 ( -1.661 0.581 0.751) 1.913 71.687 ( 4.181 -1.150 0.371) 4.352 ======================= Grid point 236 (90/231) ======================= q-point: (-0.15 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -13.130 -2.105 3.068) 13.647 2.794 ( -4.739 3.395 -11.372) 12.779 3.146 ( 0.850 -2.825 -6.571) 7.203 3.420 ( -9.718 3.510 0.524) 10.345 3.912 ( 5.190 3.499 3.447) 7.145 4.190 ( -10.994 -6.003 8.784) 15.299 5.232 ( 5.470 3.098 2.919) 6.931 5.778 ( 7.564 -3.268 -4.037) 9.176 5.972 ( -3.535 7.058 -1.293) 7.999 6.899 ( -4.784 -1.401 -1.606) 5.238 7.292 ( -0.453 4.513 -0.149) 4.538 7.652 ( 0.999 -6.144 1.238) 6.347 10.571 ( -11.737 3.471 0.741) 12.262 11.075 ( -10.936 -2.601 -0.979) 11.284 11.781 ( 8.211 -0.151 0.881) 8.259 12.187 ( -1.675 -0.769 0.015) 1.843 12.567 ( -5.728 -0.432 -0.297) 5.752 12.574 ( -6.331 0.461 0.111) 6.349 31.797 ( 1.049 0.209 0.016) 1.070 31.902 ( 1.544 -0.198 0.043) 1.558 32.047 ( 0.238 0.190 -0.184) 0.356 32.064 ( 0.249 -0.314 -0.099) 0.413 32.798 ( 0.569 0.232 0.301) 0.684 32.868 ( 1.680 -0.223 -0.174) 1.704 36.317 ( -0.631 0.216 -0.057) 0.669 36.344 ( -0.786 -0.213 -0.119) 0.823 36.399 ( 0.697 -0.130 -0.169) 0.729 36.406 ( 0.822 0.153 0.450) 0.949 68.808 ( 0.311 -0.023 0.064) 0.319 68.833 ( 0.945 -0.006 -0.095) 0.950 70.161 ( -0.172 -0.003 -0.037) 0.176 70.304 ( -0.885 -0.009 0.063) 0.887 70.853 ( -6.409 0.849 -0.169) 6.467 71.122 ( -0.115 -0.333 -3.031) 3.051 71.474 ( -0.390 0.190 2.795) 2.829 71.762 ( 5.266 -0.361 -0.077) 5.279 ======================= Grid point 237 (91/231) ======================= q-point: (-0.08 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -17.236 -1.509 3.758) 17.706 2.552 ( -20.406 2.861 -13.851) 24.829 3.121 ( 2.933 -2.646 -9.561) 10.345 3.305 ( -6.099 2.192 -3.137) 7.200 3.872 ( -19.001 -0.275 8.731) 20.913 4.173 ( 9.186 3.873 12.666) 16.119 5.372 ( 4.759 1.765 1.366) 5.257 5.819 ( 5.309 -2.632 -3.933) 7.112 6.070 ( 5.381 7.394 2.540) 9.491 6.791 ( -4.354 -3.170 -2.143) 5.797 7.290 ( -4.996 4.120 3.325) 7.279 7.601 ( 0.303 -6.296 -4.280) 7.619 10.388 ( -9.855 -3.498 3.517) 11.033 10.899 ( -11.594 6.295 -1.583) 13.287 11.894 ( 5.000 0.211 -0.792) 5.067 12.146 ( -1.082 -2.369 -0.233) 2.614 12.435 ( -9.293 0.705 -0.257) 9.323 12.460 ( -8.394 2.020 -0.094) 8.634 31.820 ( 1.270 0.292 0.286) 1.335 31.929 ( 1.971 -0.375 -0.179) 2.015 32.052 ( 0.228 0.084 -0.224) 0.331 32.064 ( 0.330 -0.604 -0.587) 0.905 32.816 ( 1.128 0.076 0.704) 1.332 32.895 ( 1.883 -0.359 -0.306) 1.942 36.309 ( -0.506 0.030 0.053) 0.510 36.330 ( -0.743 0.123 -0.245) 0.792 36.407 ( 0.593 -0.262 -0.189) 0.675 36.425 ( 0.790 0.206 0.602) 1.014 68.815 ( 0.497 -0.052 0.065) 0.504 68.851 ( 1.156 -0.023 -0.161) 1.168 70.156 ( -0.431 -0.040 -0.097) 0.443 70.291 ( -0.582 0.117 0.117) 0.605 70.746 ( -7.399 1.465 0.478) 7.558 71.086 ( -1.821 -0.093 -6.346) 6.603 71.493 ( 0.696 -0.138 5.579) 5.624 71.851 ( 5.627 -0.656 -0.285) 5.673 ======================= Grid point 243 (92/231) ======================= q-point: ( 0.38 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -0.000 14.085 -15.143) 20.681 2.473 ( 0.000 14.876 14.394) 20.699 2.746 ( -0.000 2.724 -17.137) 17.352 2.954 ( -0.000 0.729 -5.824) 5.870 4.154 ( 0.000 7.259 7.226) 10.242 4.378 ( 0.000 14.945 13.837) 20.367 4.857 ( -0.000 -1.388 -10.359) 10.452 5.754 ( 0.000 -16.223 7.284) 17.783 6.039 ( -0.000 -4.968 -6.592) 8.254 6.737 ( 0.000 3.008 6.502) 7.165 7.062 ( -0.000 4.702 -0.883) 4.784 8.091 ( -0.000 -2.442 -3.855) 4.564 10.053 ( 0.000 -0.893 2.442) 2.600 11.054 ( -0.000 16.387 0.374) 16.391 11.973 ( 0.000 -0.753 0.849) 1.135 12.101 ( -0.000 1.874 -1.893) 2.664 12.369 ( -0.000 10.455 0.335) 10.460 12.401 ( -0.000 9.967 -1.306) 10.052 31.818 ( 0.000 -1.383 0.342) 1.425 31.962 ( 0.000 -1.714 -0.142) 1.720 32.024 ( -0.000 -0.132 -0.890) 0.900 32.073 ( -0.000 0.212 -0.394) 0.448 32.825 ( 0.000 -1.712 0.722) 1.858 32.930 ( 0.000 -2.386 -0.029) 2.386 36.289 ( -0.000 0.127 -0.045) 0.135 36.332 ( -0.000 1.018 -0.202) 1.038 36.420 ( 0.000 -0.459 0.006) 0.459 36.430 ( 0.000 -0.631 0.542) 0.832 68.830 ( 0.000 -0.560 0.337) 0.654 68.849 ( 0.000 -0.884 -0.492) 1.011 70.150 ( -0.000 0.576 -0.172) 0.601 70.298 ( 0.000 -0.089 0.176) 0.197 70.596 ( -0.000 7.031 -0.740) 7.069 70.930 ( -0.000 6.083 -4.990) 7.868 71.650 ( 0.000 -5.087 4.442) 6.754 71.917 ( 0.000 -4.422 0.136) 4.424 ======================= Grid point 244 (93/231) ======================= q-point: ( 0.46 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -0.455 5.134 -17.850) 18.580 2.679 ( 2.764 12.380 10.867) 16.703 2.733 ( -1.852 9.202 -10.755) 14.275 3.024 ( 8.089 2.017 -4.106) 9.293 4.175 ( -0.737 -3.182 5.340) 6.259 4.602 ( -1.526 16.212 9.579) 18.892 4.954 ( 14.985 0.390 -4.622) 15.687 5.594 ( -1.759 -16.326 5.089) 17.191 5.930 ( -4.436 -4.242 -3.082) 6.868 6.811 ( 2.019 2.553 2.067) 3.856 7.129 ( 2.559 5.284 0.223) 5.876 7.990 ( -6.196 -2.709 -4.068) 7.892 10.137 ( 9.574 -0.803 2.357) 9.892 11.177 ( -3.930 15.466 -0.949) 15.985 11.947 ( -2.201 -1.783 1.978) 3.455 12.128 ( 1.936 1.553 -1.848) 3.094 12.483 ( 1.591 8.828 0.275) 8.974 12.498 ( 0.724 8.661 -0.898) 8.738 31.806 ( -0.137 -1.261 0.293) 1.301 31.938 ( -0.747 -1.402 -0.131) 1.594 32.024 ( 0.354 -0.143 -0.654) 0.757 32.071 ( -0.229 0.098 -0.226) 0.336 32.812 ( 0.024 -1.309 0.743) 1.505 32.900 ( -0.762 -1.989 -0.364) 2.161 36.294 ( 0.374 0.142 0.014) 0.400 36.341 ( -0.104 1.067 -0.237) 1.098 36.414 ( -0.238 -0.434 0.021) 0.495 36.425 ( -0.018 -0.803 0.473) 0.932 68.824 ( -0.252 -0.434 0.276) 0.573 68.838 ( -0.211 -0.667 -0.392) 0.802 70.156 ( 0.118 0.505 -0.134) 0.536 70.297 ( 0.058 0.042 0.143) 0.160 70.686 ( 2.751 6.237 -0.500) 6.835 70.972 ( 0.403 5.023 -3.609) 6.198 71.612 ( -0.258 -4.814 3.192) 5.782 71.861 ( -1.870 -3.818 0.086) 4.252 ======================= Grid point 245 (94/231) ======================= q-point: ( 0.54 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 3.665 2.064 -13.909) 14.531 2.767 ( -1.508 9.847 -9.425) 13.714 2.883 ( 2.938 9.634 11.138) 15.017 3.216 ( 12.545 3.741 -4.015) 13.693 4.129 ( -1.229 -6.309 5.544) 8.488 4.666 ( -6.921 6.654 2.110) 9.830 5.258 ( 16.674 2.315 -1.556) 16.905 5.458 ( 1.206 -11.341 4.688) 12.331 5.809 ( -3.581 -3.372 -0.553) 4.949 6.856 ( -0.927 6.013 -3.235) 6.890 7.237 ( 5.288 -0.637 3.281) 6.256 7.832 ( -7.870 -0.230 -3.197) 8.497 10.368 ( 16.616 -0.365 2.235) 16.770 11.220 ( -7.151 14.182 -2.645) 16.102 11.880 ( -3.404 -3.951 2.646) 5.848 12.177 ( 2.274 1.865 -1.160) 3.162 12.579 ( 0.743 5.860 -0.486) 5.927 12.588 ( 1.701 5.799 0.153) 6.045 31.791 ( -0.274 -1.051 0.171) 1.100 31.911 ( -0.936 -0.975 -0.056) 1.353 32.026 ( 0.343 -0.165 -0.365) 0.527 32.068 ( -0.194 0.184 -0.129) 0.297 32.805 ( 0.154 -0.973 0.644) 1.177 32.865 ( -1.143 -1.301 -0.483) 1.798 36.305 ( 0.724 0.164 0.068) 0.746 36.348 ( -0.225 1.056 -0.282) 1.116 36.404 ( -0.399 -0.430 0.101) 0.595 36.417 ( -0.177 -0.916 0.299) 0.980 68.816 ( -0.322 -0.302 0.192) 0.481 68.826 ( -0.335 -0.476 -0.258) 0.637 70.161 ( -0.011 0.278 -0.046) 0.282 70.305 ( 0.551 0.303 0.082) 0.634 70.798 ( 3.862 4.894 -0.525) 6.257 71.014 ( 0.673 3.738 -2.099) 4.339 71.576 ( 0.023 -4.006 2.143) 4.543 71.782 ( -3.334 -3.017 -0.096) 4.497 ======================= Grid point 246 (95/231) ======================= q-point: ( 0.62 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 9.318 2.384 -6.620) 11.676 2.789 ( -1.419 7.336 -11.139) 13.413 3.032 ( 0.972 3.896 13.992) 14.557 3.480 ( 12.938 8.048 -6.835) 16.700 4.064 ( 0.504 -9.126 6.513) 11.223 4.526 ( -13.205 1.168 -0.351) 13.261 5.391 ( 3.018 -1.490 -9.458) 10.039 5.491 ( 1.483 -3.212 11.990) 12.501 5.811 ( 8.983 -1.085 -1.678) 9.203 6.902 ( -0.291 9.083 -3.235) 9.646 7.271 ( 1.296 -7.557 2.604) 8.097 7.730 ( -4.261 3.019 -1.213) 5.361 10.689 ( 19.376 0.236 2.038) 19.484 11.200 ( -8.973 12.669 -3.726) 15.965 11.769 ( -4.764 -6.742 2.614) 8.659 12.227 ( 1.427 2.027 -0.322) 2.500 12.631 ( 0.647 3.009 -0.288) 3.091 12.653 ( 1.100 2.391 0.109) 2.635 31.778 ( -0.255 -0.713 0.041) 0.758 31.889 ( -0.773 -0.584 0.025) 0.969 32.029 ( 0.281 -0.065 -0.169) 0.334 32.067 ( -0.138 0.212 -0.033) 0.256 32.803 ( 0.350 -0.720 0.404) 0.897 32.834 ( -1.151 -0.554 -0.358) 1.327 36.322 ( 0.984 0.175 0.106) 1.005 36.352 ( -0.371 0.951 -0.310) 1.067 36.393 ( -0.336 -0.429 0.167) 0.570 36.404 ( -0.418 -0.855 0.130) 0.960 68.809 ( -0.192 -0.195 0.113) 0.296 68.815 ( -0.344 -0.301 -0.134) 0.477 70.162 ( -0.039 0.076 -0.001) 0.085 70.320 ( 0.601 0.421 0.024) 0.734 70.901 ( 3.562 3.290 -0.611) 4.887 71.052 ( 0.877 2.331 -0.774) 2.608 71.555 ( 0.640 -2.517 1.238) 2.878 71.691 ( -3.994 -2.268 -0.214) 4.598 ======================= Grid point 247 (96/231) ======================= q-point: ( 0.69 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 12.125 3.020 -0.519) 12.506 2.776 ( -1.733 4.903 -12.898) 13.907 3.107 ( 0.517 -1.725 15.020) 15.127 3.691 ( 2.321 10.614 -9.652) 14.533 4.061 ( 7.888 -9.334 7.170) 14.169 4.283 ( -13.723 -1.052 -0.507) 13.772 5.337 ( -5.371 0.220 -4.406) 6.950 5.507 ( 2.797 -3.230 5.599) 7.043 5.985 ( 8.123 2.878 -2.790) 9.058 7.006 ( 2.732 8.251 -0.378) 8.700 7.177 ( -2.372 -7.917 0.267) 8.270 7.710 ( -1.517 1.217 0.331) 1.972 11.007 ( 11.467 3.180 1.028) 11.944 11.157 ( -3.246 7.426 -2.720) 8.549 11.605 ( -6.519 -8.111 1.799) 10.560 12.256 ( -0.092 1.323 0.169) 1.337 12.662 ( 0.592 1.233 -0.076) 1.370 12.676 ( 0.351 -0.018 -0.024) 0.353 31.770 ( -0.024 -0.295 -0.031) 0.297 31.875 ( -0.365 -0.291 0.058) 0.470 32.034 ( 0.263 0.093 -0.089) 0.293 32.066 ( -0.153 0.074 0.047) 0.177 32.806 ( 0.264 -0.146 0.072) 0.310 32.814 ( -0.530 -0.328 -0.069) 0.628 36.341 ( 0.882 0.237 0.084) 0.917 36.351 ( -0.337 0.559 -0.214) 0.687 36.386 ( -0.233 -0.667 0.160) 0.724 36.389 ( -0.429 -0.241 0.002) 0.492 68.807 ( 0.073 -0.113 0.041) 0.141 68.808 ( -0.248 -0.130 -0.036) 0.282 70.162 ( 0.018 -0.024 -0.001) 0.030 70.331 ( 0.166 0.318 0.001) 0.359 70.972 ( 1.831 1.684 -0.478) 2.533 71.083 ( 1.025 0.978 -0.107) 1.421 71.559 ( 0.483 0.260 0.366) 0.659 71.607 ( -2.560 -2.516 0.012) 3.590 ======================= Grid point 248 (97/231) ======================= q-point: (-0.23 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 8.356 1.841 4.362) 9.604 2.739 ( -1.064 4.886 -14.761) 15.585 3.136 ( 0.581 -4.658 10.785) 11.763 3.719 ( -4.385 6.889 -1.011) 8.229 4.008 ( -11.735 0.999 -4.562) 12.630 4.200 ( 8.548 -9.227 3.477) 13.049 5.236 ( -4.869 1.440 0.881) 5.153 5.566 ( 4.519 -0.664 1.055) 4.688 6.084 ( 0.436 4.026 -2.221) 4.618 7.041 ( -3.372 -2.334 -0.069) 4.101 7.164 ( 5.287 2.301 -0.291) 5.773 7.682 ( -1.849 -1.459 0.500) 2.408 10.981 ( -11.223 3.286 0.103) 11.694 11.330 ( 7.467 -0.896 -4.007) 8.522 11.450 ( -0.340 -2.194 4.019) 4.591 12.247 ( -1.442 -0.545 0.089) 1.544 12.666 ( -0.852 -0.123 -0.045) 0.863 12.677 ( -0.220 0.267 -0.023) 0.346 31.772 ( 0.350 0.099 -0.019) 0.364 31.871 ( 0.210 -0.129 0.038) 0.250 32.039 ( 0.236 0.182 -0.068) 0.305 32.063 ( -0.131 -0.176 0.033) 0.222 32.799 ( -0.593 0.166 0.113) 0.626 32.821 ( 1.078 -0.160 -0.106) 1.095 36.341 ( -0.710 0.234 -0.034) 0.748 36.362 ( 0.732 -0.234 -0.237) 0.804 36.374 ( -0.290 0.079 0.278) 0.410 36.388 ( 0.243 -0.111 0.015) 0.267 68.804 ( -0.088 0.023 0.030) 0.096 68.810 ( 0.385 -0.044 -0.027) 0.389 70.162 ( 0.047 0.013 -0.010) 0.050 70.330 ( -0.421 -0.004 0.010) 0.422 70.990 ( -1.008 0.795 -0.070) 1.285 71.103 ( 0.889 -0.049 -0.471) 1.007 71.529 ( -3.149 0.230 0.473) 3.193 71.610 ( 3.536 -0.645 -0.077) 3.596 ======================= Grid point 249 (98/231) ======================= q-point: (-0.15 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -6.635 -1.552 2.030) 7.110 2.795 ( 3.954 7.186 -10.867) 13.615 3.106 ( -1.247 -4.872 0.439) 5.048 3.655 ( -12.002 2.801 4.757) 13.210 3.900 ( 1.027 4.020 -0.275) 4.159 4.200 ( 1.794 -10.136 0.452) 10.303 5.240 ( 0.651 3.758 5.235) 6.477 5.647 ( 4.680 1.056 -2.337) 5.336 6.074 ( -3.224 1.542 0.093) 3.575 6.966 ( -4.448 1.266 -2.825) 5.419 7.252 ( 4.721 -3.628 2.035) 6.292 7.639 ( -1.771 0.276 -1.107) 2.107 10.767 ( -11.696 -6.798 2.789) 13.813 11.254 ( -8.546 6.788 -4.752) 11.903 11.625 ( 10.880 0.412 2.803) 11.243 12.199 ( -1.973 -2.883 -0.385) 3.514 12.638 ( -2.674 0.459 -0.218) 2.722 12.659 ( -2.749 0.934 0.104) 2.905 31.784 ( 0.747 0.361 0.082) 0.833 31.879 ( 0.836 -0.127 -0.034) 0.846 32.044 ( 0.199 0.179 -0.070) 0.277 32.058 ( -0.040 -0.480 -0.123) 0.497 32.795 ( 0.010 -0.003 0.402) 0.402 32.840 ( 1.305 0.111 -0.348) 1.355 36.330 ( -0.680 -0.153 0.113) 0.706 36.356 ( -0.665 0.171 -0.395) 0.792 36.386 ( 0.701 0.063 0.134) 0.716 36.395 ( 0.726 -0.040 0.221) 0.760 68.805 ( 0.078 0.109 0.066) 0.149 68.819 ( 0.681 0.001 -0.092) 0.687 70.163 ( -0.021 0.145 -0.019) 0.148 70.317 ( -0.782 -0.350 0.034) 0.858 70.955 ( -4.043 0.942 0.433) 4.174 71.107 ( 0.334 -0.422 -1.971) 2.043 71.494 ( -1.151 -0.399 1.756) 2.137 71.677 ( 4.310 0.372 -0.400) 4.344 ======================= Grid point 250 (99/231) ======================= q-point: (-0.08 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -12.572 -1.418 1.984) 12.807 2.800 ( -8.671 6.103 -12.561) 16.439 3.030 ( 0.361 -3.023 -5.977) 6.708 3.461 ( -11.637 1.376 -2.232) 11.929 4.026 ( 1.729 2.035 2.702) 3.799 4.144 ( 3.249 -4.074 13.270) 14.256 5.333 ( 3.065 2.407 3.755) 5.411 5.715 ( 3.303 1.324 -2.978) 4.640 6.064 ( 1.804 0.960 2.158) 2.972 6.863 ( -7.087 -0.434 -3.220) 7.796 7.283 ( 3.965 -6.644 4.467) 8.934 7.614 ( -3.154 4.392 -5.319) 7.585 10.507 ( -9.830 -9.406 3.737) 14.109 11.174 ( -10.401 11.823 -3.243) 16.077 11.795 ( 7.378 0.750 1.084) 7.494 12.129 ( -1.358 -4.564 -0.649) 4.806 12.576 ( -5.773 1.563 -0.243) 5.986 12.603 ( -5.567 2.154 -0.026) 5.969 31.804 ( 1.052 0.397 0.269) 1.156 31.896 ( 1.367 -0.296 -0.167) 1.409 32.048 ( 0.068 -0.044 -0.555) 0.561 32.052 ( 0.171 -0.561 0.036) 0.588 32.803 ( 0.698 -0.189 0.784) 1.067 32.863 ( 1.396 0.011 -0.610) 1.524 36.317 ( -0.548 -0.229 0.152) 0.613 36.345 ( -0.791 0.470 -0.370) 0.991 36.394 ( 0.503 -0.208 -0.139) 0.561 36.412 ( 1.001 0.037 0.532) 1.135 68.809 ( 0.218 0.084 0.075) 0.245 68.832 ( 0.915 -0.028 -0.149) 0.928 70.163 ( -0.289 0.213 -0.062) 0.364 70.301 ( -0.611 -0.371 0.070) 0.718 70.881 ( -6.120 1.682 0.947) 6.417 71.088 ( -0.862 -0.152 -4.346) 4.434 71.495 ( 0.599 -0.718 3.503) 3.626 71.755 ( 4.711 -0.063 -0.416) 4.730 ======================= Grid point 257 (100/231) ======================= q-point: ( 0.46 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -0.000 1.085 -15.597) 15.635 2.771 ( 0.000 7.074 4.237) 8.246 2.845 ( -0.000 12.888 -5.750) 14.112 2.964 ( -0.000 3.421 -0.761) 3.505 4.165 ( 0.000 -4.280 4.473) 6.191 4.772 ( -0.000 -0.834 -5.193) 5.259 4.844 ( 0.000 15.649 10.334) 18.753 5.467 ( 0.000 -15.583 4.466) 16.210 5.918 ( 0.000 -4.077 -1.794) 4.454 6.818 ( 0.000 1.164 3.812) 3.986 7.175 ( -0.000 7.279 -2.360) 7.652 7.986 ( -0.000 -4.365 -4.297) 6.125 10.051 ( 0.000 -1.111 2.295) 2.549 11.354 ( -0.000 14.086 -1.263) 14.142 11.956 ( 0.000 -2.621 2.400) 3.554 12.113 ( -0.000 1.116 -2.123) 2.399 12.554 ( -0.000 7.666 0.301) 7.672 12.571 ( -0.000 7.537 -0.807) 7.580 31.797 ( 0.000 -1.027 0.313) 1.074 31.931 ( 0.000 -1.214 -0.155) 1.224 32.017 ( -0.000 0.031 -0.576) 0.577 32.072 ( -0.000 -0.114 -0.124) 0.169 32.803 ( 0.000 -1.047 0.785) 1.309 32.886 ( 0.000 -1.636 -0.562) 1.730 36.292 ( -0.000 0.107 0.060) 0.123 36.352 ( -0.000 1.143 -0.264) 1.173 36.412 ( 0.000 -0.341 -0.079) 0.350 36.419 ( 0.000 -0.932 0.516) 1.066 68.823 ( 0.000 -0.360 0.232) 0.428 68.833 ( -0.000 -0.450 -0.328) 0.556 70.161 ( -0.000 0.594 -0.143) 0.611 70.295 ( 0.000 -0.268 0.095) 0.284 70.722 ( -0.000 5.724 0.024) 5.724 71.003 ( -0.000 4.211 -2.644) 4.972 71.576 ( 0.000 -4.694 2.092) 5.139 71.844 ( 0.000 -3.061 0.126) 3.064 ======================= Grid point 258 (101/231) ======================= q-point: ( 0.54 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 0.447 1.889 -8.134) 8.363 2.873 ( 0.347 6.209 -1.272) 6.347 2.923 ( 2.531 9.086 -1.761) 9.595 3.063 ( 6.034 2.803 0.746) 6.694 4.119 ( -1.662 -4.927 3.116) 6.062 4.790 ( 0.909 2.654 -1.283) 3.084 5.051 ( 7.709 5.982 3.411) 10.337 5.347 ( 0.833 -11.284 5.154) 12.433 5.850 ( -3.374 -2.409 -0.237) 4.152 6.865 ( 2.830 1.355 0.977) 3.286 7.228 ( -0.485 4.633 -0.892) 4.743 7.899 ( -3.553 -2.694 -3.330) 5.566 10.136 ( 9.952 -0.985 2.181) 10.236 11.442 ( -4.103 12.134 -1.894) 12.948 11.905 ( -2.927 -4.239 2.152) 5.583 12.141 ( 2.591 1.078 -1.680) 3.271 12.623 ( 0.359 4.976 0.123) 4.990 12.631 ( -0.082 5.108 -0.390) 5.124 31.787 ( -0.191 -0.760 0.254) 0.824 31.915 ( -0.566 -0.788 -0.157) 0.982 32.019 ( 0.255 0.038 -0.328) 0.417 32.070 ( -0.034 -0.061 -0.097) 0.119 32.797 ( 0.042 -0.810 0.608) 1.014 32.866 ( -0.548 -0.958 -0.505) 1.213 36.297 ( 0.407 0.080 0.101) 0.427 36.361 ( -0.154 1.153 -0.295) 1.200 36.406 ( -0.275 -0.442 0.059) 0.523 36.411 ( -0.043 -0.868 0.277) 0.912 68.818 ( -0.225 -0.259 0.148) 0.373 68.826 ( -0.211 -0.257 -0.218) 0.398 70.165 ( -0.074 0.399 -0.066) 0.411 70.297 ( 0.454 -0.115 0.042) 0.470 70.791 ( 2.101 4.202 0.251) 4.705 71.033 ( 0.249 3.095 -1.454) 3.428 71.541 ( 0.131 -3.781 1.179) 3.963 71.802 ( -1.870 -2.126 -0.041) 2.832 ======================= Grid point 259 (102/231) ======================= q-point: ( 0.62 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 4.269 3.888 0.748) 5.823 2.870 ( -3.665 5.987 -8.349) 10.908 3.079 ( 2.497 1.768 10.230) 10.678 3.247 ( 15.452 2.629 -4.478) 16.301 4.038 ( -2.970 -5.267 1.898) 6.338 4.743 ( -9.416 1.943 -0.835) 9.651 5.223 ( 9.024 -1.906 -8.525) 12.560 5.396 ( 10.124 -2.480 13.468) 17.031 5.766 ( -3.709 -0.891 -0.190) 3.819 6.946 ( 3.617 3.927 -1.021) 5.436 7.224 ( -1.998 -1.687 0.526) 2.667 7.812 ( -3.936 0.500 -1.835) 4.371 10.372 ( 17.161 -0.796 1.941) 17.289 11.445 ( -7.085 9.764 -2.047) 12.236 11.795 ( -4.720 -5.850 1.226) 7.616 12.197 ( 3.096 0.910 -0.988) 3.375 12.657 ( -0.335 2.321 -0.323) 2.367 12.667 ( 0.060 1.908 0.289) 1.931 31.778 ( -0.302 -0.417 0.156) 0.538 31.897 ( -0.777 -0.352 -0.129) 0.863 32.023 ( 0.311 0.033 -0.066) 0.319 32.069 ( -0.008 0.060 -0.099) 0.116 32.794 ( 0.165 -0.581 0.261) 0.658 32.847 ( -0.875 -0.230 -0.227) 0.933 36.308 ( 0.773 0.041 0.125) 0.784 36.367 ( -0.337 1.071 -0.293) 1.160 36.394 ( -0.335 -0.829 0.242) 0.927 36.403 ( -0.241 -0.385 -0.034) 0.455 68.812 ( -0.291 -0.158 0.061) 0.336 68.819 ( -0.344 -0.087 -0.102) 0.369 70.165 ( -0.183 0.131 0.009) 0.225 70.309 ( 0.864 0.066 -0.004) 0.866 70.871 ( 3.155 2.235 0.302) 3.878 71.060 ( 0.376 1.824 -0.302) 1.886 71.519 ( 0.671 -2.318 0.416) 2.448 71.740 ( -3.377 -1.060 -0.239) 3.547 ======================= Grid point 260 (103/231) ======================= q-point: (-0.31 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 8.562 4.970 7.008) 12.129 2.819 ( -3.183 3.664 -11.534) 12.513 3.121 ( 0.340 -4.906 13.261) 14.143 3.568 ( 17.841 5.297 -6.517) 19.719 3.938 ( -2.723 -6.053 2.394) 7.056 4.536 ( -14.498 0.358 -1.894) 14.626 5.291 ( 5.002 -0.998 -7.718) 9.251 5.549 ( -1.815 -0.250 10.148) 10.312 5.804 ( 11.652 0.911 -0.016) 11.687 7.052 ( 3.234 4.918 0.120) 5.887 7.139 ( -3.363 -4.421 -0.015) 5.554 7.756 ( -3.044 0.411 -0.906) 3.202 10.694 ( 19.967 -0.937 1.406) 20.039 11.375 ( -8.982 4.107 -0.115) 9.878 11.651 ( -5.919 -3.696 -1.143) 7.071 12.245 ( 1.930 0.087 -0.472) 1.989 12.665 ( 0.007 0.381 -0.113) 0.398 12.674 ( -0.038 -0.245 0.234) 0.341 31.771 ( -0.229 -0.012 0.076) 0.242 31.882 ( -0.698 -0.034 -0.103) 0.706 32.029 ( 0.318 0.114 0.088) 0.349 32.068 ( -0.104 0.008 -0.077) 0.129 32.795 ( 0.435 -0.235 -0.019) 0.495 32.830 ( -1.045 0.213 0.019) 1.066 36.324 ( 1.028 -0.046 0.121) 1.036 36.367 ( -0.610 0.485 -0.067) 0.782 36.383 ( -0.144 -0.477 -0.002) 0.498 36.395 ( -0.424 -0.025 -0.082) 0.433 68.807 ( -0.170 -0.068 -0.009) 0.183 68.813 ( -0.355 0.076 -0.009) 0.363 70.163 ( -0.123 0.004 0.023) 0.125 70.324 ( 0.742 -0.014 -0.018) 0.743 70.939 ( 3.085 0.416 0.370) 3.135 71.079 ( 0.439 0.585 0.449) 0.858 71.523 ( 1.578 -0.832 -0.252) 1.802 71.668 ( -4.265 0.094 -0.254) 4.273 ======================= Grid point 261 (104/231) ======================= q-point: (-0.23 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 9.990 4.509 9.702) 14.638 2.755 ( -2.030 2.501 -12.740) 13.141 3.115 ( 0.368 -6.829 11.898) 13.724 3.822 ( -0.030 8.940 -7.263) 11.518 3.893 ( 12.144 -11.174 3.092) 16.789 4.268 ( -15.438 -0.275 -1.944) 15.562 5.300 ( -1.020 0.597 -4.844) 4.986 5.538 ( -0.068 1.442 4.566) 4.789 6.030 ( 9.002 1.739 1.703) 9.325 7.026 ( -0.324 -6.972 1.172) 7.077 7.166 ( 0.086 7.441 -0.523) 7.460 7.698 ( -2.156 -2.184 -0.743) 3.158 10.988 ( 12.418 -4.766 -0.571) 13.313 11.236 ( -4.273 -2.757 3.996) 6.467 11.541 ( -6.032 4.628 -3.632) 8.426 12.251 ( -0.339 -1.689 -0.220) 1.737 12.664 ( 0.368 -1.057 0.123) 1.126 12.677 ( 0.541 0.103 0.024) 0.551 31.771 ( 0.018 0.371 0.042) 0.374 31.873 ( -0.387 0.139 -0.083) 0.420 32.036 ( 0.274 0.173 0.141) 0.354 32.064 ( -0.240 -0.204 -0.073) 0.323 32.803 ( 0.543 -0.125 -0.198) 0.591 32.817 ( -0.791 0.579 0.189) 0.998 36.340 ( 0.875 -0.317 0.018) 0.931 36.357 ( -0.449 -0.215 0.249) 0.557 36.381 ( -0.115 0.372 -0.282) 0.481 36.388 ( -0.400 0.179 -0.034) 0.439 68.806 ( 0.077 0.006 -0.060) 0.097 68.809 ( -0.264 0.228 0.053) 0.353 70.162 ( 0.018 0.036 0.013) 0.042 70.330 ( 0.179 -0.340 -0.015) 0.384 70.984 ( 1.976 -0.499 0.478) 2.093 71.089 ( 0.438 -0.384 0.521) 0.782 71.545 ( 1.329 -1.304 -0.784) 2.020 71.608 ( -3.029 2.362 0.097) 3.843 ======================= Grid point 262 (105/231) ======================= q-point: (-0.15 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 1.001 -1.219 4.313) 4.593 2.757 ( 4.302 6.660 -6.925) 10.527 3.082 ( -0.923 -5.984 5.416) 8.123 3.833 ( -0.468 -1.638 11.518) 11.643 3.983 ( -1.482 2.279 -14.218) 14.476 4.024 ( -4.100 -5.855 -0.119) 7.149 5.281 ( -0.528 2.087 0.950) 2.353 5.610 ( 3.207 4.197 0.236) 5.287 6.106 ( -0.416 -1.858 1.341) 2.329 7.015 ( 2.321 0.441 -0.235) 2.374 7.175 ( -2.664 -1.956 0.192) 3.310 7.658 ( -0.066 -0.243 -0.603) 0.653 10.850 ( -8.866 -13.624 1.039) 16.288 11.373 ( 8.352 4.296 0.104) 9.392 11.514 ( -1.379 6.625 -1.034) 6.846 12.199 ( -2.201 -3.917 -0.261) 4.501 12.662 ( -0.004 -0.166 0.001) 0.166 12.687 ( 0.197 0.366 0.057) 0.419 31.780 ( 0.350 0.620 0.053) 0.714 31.871 ( 0.069 0.154 -0.067) 0.181 32.043 ( 0.199 0.141 0.158) 0.291 32.056 ( -0.303 -0.454 -0.156) 0.568 32.799 ( -0.359 -0.224 0.070) 0.429 32.826 ( 0.657 0.770 -0.068) 1.014 36.336 ( -0.425 -0.640 0.073) 0.772 36.360 ( 0.369 0.091 -0.035) 0.381 36.383 ( -0.044 0.656 0.022) 0.658 36.386 ( 0.111 -0.021 -0.075) 0.136 68.808 ( -0.065 0.257 0.050) 0.270 68.810 ( 0.285 0.113 -0.060) 0.312 70.164 ( 0.111 0.177 0.005) 0.209 70.323 ( -0.424 -0.708 -0.004) 0.825 71.000 ( -0.083 -0.080 0.615) 0.626 71.089 ( 0.246 -0.933 -0.277) 1.004 71.515 ( -1.616 -1.468 0.084) 2.185 71.635 ( 1.796 2.804 -0.260) 3.340 ======================= Grid point 263 (106/231) ======================= q-point: (-0.08 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -6.177 -2.384 0.652) 6.653 2.875 ( 1.538 5.860 -4.702) 7.669 3.010 ( -2.750 -3.275 -2.381) 4.895 3.700 ( -14.210 1.489 -1.279) 14.345 3.983 ( 3.849 -7.576 -4.742) 9.732 4.023 ( 7.615 1.564 10.879) 13.372 5.324 ( 1.678 1.584 1.346) 2.671 5.712 ( 2.267 6.291 -0.219) 6.691 6.044 ( -1.388 -4.570 0.697) 4.827 6.988 ( -8.777 -0.245 -2.749) 9.200 7.143 ( 6.234 -4.970 2.503) 8.356 7.676 ( -0.261 3.629 -1.532) 3.948 10.566 ( -8.639 -12.506 1.573) 15.281 11.435 ( -6.857 12.432 -3.647) 14.659 11.660 ( 10.021 0.614 2.889) 10.447 12.107 ( -2.539 -5.756 -0.431) 6.306 12.654 ( -1.747 1.046 -0.100) 2.039 12.683 ( -1.769 1.164 -0.003) 2.118 31.795 ( 0.661 0.617 0.109) 0.911 31.877 ( 0.552 -0.000 -0.068) 0.556 32.044 ( -0.291 -0.552 -0.456) 0.773 32.047 ( 0.178 -0.004 0.279) 0.331 32.795 ( 0.155 -0.338 0.368) 0.522 32.845 ( 0.779 0.599 -0.321) 1.034 36.323 ( -0.438 -0.463 0.085) 0.643 36.361 ( -0.500 0.510 -0.299) 0.774 36.387 ( 0.171 -0.035 -0.022) 0.176 36.397 ( 0.877 0.077 0.301) 0.931 68.810 ( -0.054 0.294 0.099) 0.315 68.818 ( 0.615 0.022 -0.127) 0.628 70.168 ( 0.002 0.320 -0.020) 0.321 70.305 ( -0.589 -0.818 0.022) 1.009 70.982 ( -3.009 1.179 1.007) 3.385 71.077 ( -0.036 -0.903 -2.138) 2.321 71.487 ( -0.092 -1.411 1.242) 1.882 71.697 ( 2.729 1.691 -0.209) 3.218 ======================= Grid point 271 (107/231) ======================= q-point: ( 0.54 0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -0.000 4.234 0.585) 4.274 2.852 ( -0.000 2.047 -0.791) 2.194 3.016 ( -0.000 0.759 -3.116) 3.207 3.044 ( -0.000 7.605 0.598) 7.629 4.100 ( 0.000 -3.715 0.541) 3.755 4.764 ( 0.000 1.177 3.091) 3.307 5.076 ( -0.000 2.423 -1.772) 3.001 5.261 ( 0.000 -7.169 6.737) 9.838 5.862 ( 0.000 -1.009 0.469) 1.113 6.840 ( 0.000 -0.683 0.803) 1.054 7.282 ( -0.000 4.222 -1.562) 4.502 7.894 ( -0.000 -1.353 -2.224) 2.604 10.046 ( 0.000 -1.004 2.162) 2.384 11.574 ( -0.000 8.461 -1.110) 8.533 11.897 ( 0.000 -4.600 1.280) 4.774 12.116 ( -0.000 0.904 -2.099) 2.285 12.661 ( -0.000 2.709 0.097) 2.711 12.672 ( -0.000 2.971 -0.211) 2.979 31.784 ( 0.000 -0.449 0.266) 0.522 31.913 ( 0.000 -0.410 -0.212) 0.461 32.017 ( -0.000 0.189 -0.181) 0.261 32.068 ( -0.000 -0.100 -0.087) 0.133 32.792 ( 0.000 -0.641 0.321) 0.717 32.863 ( -0.000 -0.311 -0.274) 0.414 36.294 ( 0.000 0.021 0.132) 0.134 36.373 ( -0.000 1.166 -0.316) 1.208 36.402 ( 0.000 -1.167 0.387) 1.229 36.406 ( -0.000 -0.103 -0.147) 0.179 68.819 ( 0.000 -0.184 0.069) 0.197 68.826 ( -0.000 -0.055 -0.132) 0.143 70.169 ( -0.000 0.309 -0.022) 0.310 70.291 ( 0.000 -0.177 -0.009) 0.177 70.809 ( -0.000 2.374 0.753) 2.491 71.054 ( -0.000 2.138 -0.459) 2.186 71.510 ( 0.000 -2.522 0.282) 2.538 71.801 ( 0.000 -1.174 -0.190) 1.189 ======================= Grid point 272 (108/231) ======================= q-point: (-0.38 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 0.337 6.465 9.389) 11.405 2.909 ( 1.251 -1.297 -3.024) 3.520 3.017 ( 6.782 3.057 -5.352) 9.164 3.111 ( 0.969 -0.559 5.442) 5.556 4.048 ( -2.179 -2.436 -1.737) 3.701 4.840 ( 0.942 1.685 3.735) 4.205 5.045 ( 3.591 -3.839 -7.968) 9.546 5.293 ( 4.518 -1.044 9.915) 10.946 5.833 ( -3.383 0.383 1.077) 3.571 6.872 ( 4.677 -0.951 -0.411) 4.791 7.277 ( -2.968 0.559 -1.068) 3.204 7.869 ( -2.424 1.724 -0.905) 3.109 10.133 ( 10.024 -0.882 2.020) 10.263 11.597 ( -3.505 2.390 0.237) 4.249 11.825 ( -3.720 -2.697 -0.981) 4.699 12.145 ( 2.863 0.657 -1.647) 3.368 12.673 ( -0.115 -0.048 -0.100) 0.160 12.684 ( -0.447 0.220 0.186) 0.532 31.781 ( -0.200 -0.102 0.219) 0.314 31.906 ( -0.506 0.043 -0.229) 0.557 32.020 ( 0.171 0.208 0.052) 0.274 32.068 ( 0.071 0.020 -0.119) 0.140 32.788 ( 0.065 -0.375 -0.038) 0.382 32.858 ( -0.489 0.322 0.039) 0.587 36.298 ( 0.416 -0.033 0.153) 0.444 36.381 ( -0.210 1.019 -0.256) 1.072 36.390 ( -0.172 -1.095 0.224) 1.131 36.404 ( -0.117 0.019 -0.158) 0.197 68.815 ( -0.209 -0.091 -0.018) 0.229 68.824 ( -0.224 0.123 -0.030) 0.257 70.169 ( -0.186 0.046 0.047) 0.197 70.295 ( 0.618 -0.034 -0.055) 0.621 70.841 ( 1.915 0.040 0.978) 2.151 71.071 ( 0.104 1.021 0.637) 1.208 71.495 ( 0.264 -0.820 -0.526) 1.009 71.778 ( -1.806 -0.078 -0.397) 1.851 ======================= Grid point 273 (109/231) ======================= q-point: (-0.31 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 2.919 6.735 14.994) 16.695 2.836 ( -1.970 -2.857 -9.922) 10.512 3.109 ( -0.274 -6.123 10.747) 12.372 3.264 ( 17.291 1.701 -2.271) 17.522 3.971 ( -3.676 -0.550 -3.592) 5.169 4.730 ( -9.858 -3.047 -3.460) 10.882 5.143 ( 8.537 0.924 -7.109) 11.148 5.483 ( 12.341 0.693 13.293) 18.152 5.766 ( -4.879 1.204 0.020) 5.025 6.965 ( 6.607 -2.063 0.763) 6.963 7.202 ( -4.052 -0.008 -1.461) 4.307 7.827 ( -4.643 1.786 -0.590) 5.009 10.368 ( 17.016 -0.964 1.634) 17.122 11.493 ( -6.245 -7.424 2.099) 9.926 11.739 ( -5.304 3.550 -3.607) 7.331 12.197 ( 3.048 -0.073 -0.979) 3.202 12.661 ( 0.081 -1.794 -0.193) 1.806 12.667 ( -0.374 -2.169 0.457) 2.248 31.778 ( -0.283 0.287 0.149) 0.429 31.896 ( -0.793 0.388 -0.216) 0.909 32.027 ( 0.260 0.248 0.227) 0.425 32.069 ( -0.001 0.027 -0.116) 0.119 32.788 ( 0.245 0.031 -0.226) 0.334 32.852 ( -0.935 0.680 0.189) 1.172 36.308 ( 0.761 -0.106 0.156) 0.784 36.374 ( -0.366 -1.043 0.293) 1.144 36.387 ( -0.263 0.871 -0.376) 0.985 36.402 ( -0.256 0.234 -0.177) 0.390 68.810 ( -0.275 0.006 -0.078) 0.285 68.821 ( -0.367 0.289 0.054) 0.471 70.166 ( -0.214 -0.097 0.061) 0.242 70.308 ( 0.882 -0.121 -0.066) 0.893 70.880 ( 3.231 -1.865 1.037) 3.872 71.081 ( 0.089 -0.104 1.503) 1.510 71.500 ( 0.722 0.588 -1.266) 1.572 71.738 ( -3.242 1.110 -0.443) 3.456 ======================= Grid point 274 (110/231) ======================= q-point: (-0.23 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 6.200 4.682 16.259) 18.020 2.738 ( -0.855 -3.009 -10.937) 11.376 3.080 ( 0.383 -7.917 12.037) 14.413 3.550 ( 16.314 -4.390 -1.028) 16.926 3.905 ( -2.946 4.122 -5.541) 7.509 4.487 ( -12.161 -3.754 -4.075) 13.363 5.248 ( 4.955 2.773 -8.108) 9.898 5.621 ( -4.416 0.901 7.600) 8.836 5.855 ( 13.471 2.636 3.919) 14.275 6.974 ( -0.707 -7.170 2.685) 7.689 7.218 ( 2.707 6.225 -1.701) 6.998 7.732 ( -5.754 -1.964 -1.066) 6.173 10.671 ( 18.307 -2.393 0.436) 18.468 11.281 ( -6.913 -12.009 3.098) 14.199 11.687 ( -5.321 7.094 -4.169) 9.799 12.226 ( 1.168 -1.513 -0.372) 1.947 12.639 ( 0.492 -2.824 0.299) 2.882 12.652 ( 1.219 -2.417 0.014) 2.707 31.779 ( -0.205 0.660 0.076) 0.695 31.886 ( -0.810 0.572 -0.169) 1.006 32.035 ( 0.252 0.277 0.292) 0.475 32.066 ( -0.225 -0.142 -0.071) 0.275 32.795 ( 0.410 0.333 -0.321) 0.617 32.842 ( -1.161 0.836 0.258) 1.454 36.322 ( 0.923 -0.238 0.114) 0.960 36.358 ( -0.318 -0.955 0.271) 1.042 36.388 ( -0.325 0.671 -0.271) 0.793 36.399 ( -0.382 0.572 -0.243) 0.730 68.807 ( -0.166 0.089 -0.103) 0.215 68.818 ( -0.390 0.447 0.103) 0.602 70.162 ( -0.061 -0.066 0.041) 0.099 70.319 ( 0.633 -0.480 -0.063) 0.797 70.920 ( 3.688 -2.755 0.883) 4.688 71.084 ( 0.095 -0.908 1.959) 2.161 71.517 ( 0.921 0.746 -1.944) 2.277 71.692 ( -3.726 2.533 -0.118) 4.507 ======================= Grid point 275 (111/231) ======================= q-point: (-0.15 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 4.080 -3.624 5.816) 7.975 2.718 ( 4.386 2.807 -0.307) 5.216 3.057 ( 0.033 -6.277 8.613) 10.658 3.671 ( 8.778 -12.602 2.393) 15.543 3.940 ( 1.371 8.541 -7.945) 11.745 4.230 ( -12.721 -1.512 -4.125) 13.458 5.299 ( 0.966 2.905 -5.015) 5.876 5.615 ( 0.326 3.443 3.221) 4.726 6.061 ( 5.282 -0.440 2.309) 5.781 6.930 ( 3.039 -4.517 3.357) 6.396 7.275 ( -4.580 3.965 -1.986) 6.375 7.633 ( -0.030 -3.133 -0.002) 3.133 10.796 ( 0.207 -12.750 -2.249) 12.949 11.197 ( 9.464 -3.155 5.078) 11.195 11.663 ( -4.738 8.482 -3.729) 10.407 12.196 ( -1.723 -3.442 0.088) 3.850 12.635 ( 1.826 -2.143 0.252) 2.827 12.660 ( 2.187 -1.900 -0.021) 2.897 31.785 ( -0.014 0.905 -0.009) 0.905 31.879 ( -0.601 0.603 -0.071) 0.855 32.042 ( 0.159 0.189 0.322) 0.406 32.058 ( -0.429 -0.335 -0.079) 0.550 32.801 ( -0.009 0.192 -0.510) 0.545 32.836 ( -0.584 1.047 0.442) 1.278 36.331 ( 0.308 -0.619 -0.058) 0.694 36.351 ( 0.385 -0.472 0.384) 0.720 36.388 ( -0.252 0.369 -0.118) 0.462 36.398 ( -0.487 0.855 -0.322) 1.035 68.806 ( 0.053 0.132 -0.105) 0.177 68.817 ( -0.338 0.556 0.123) 0.663 70.163 ( 0.150 0.044 0.029) 0.159 70.318 ( 0.064 -0.834 -0.052) 0.838 70.956 ( 3.366 -2.703 0.235) 4.323 71.083 ( 0.002 -1.045 2.136) 2.378 71.517 ( -0.428 -0.380 -2.114) 2.190 71.673 ( -1.957 3.854 0.260) 4.330 ======================= Grid point 285 (112/231) ======================= q-point: (-0.38 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 0.000 7.990 16.678) 18.493 2.843 ( 0.000 -5.467 -2.617) 6.061 2.946 ( -0.000 0.320 -7.243) 7.250 3.122 ( 0.000 -2.684 7.177) 7.662 4.042 ( -0.000 -0.502 -4.401) 4.429 4.860 ( 0.000 2.865 10.400) 10.787 4.921 ( -0.000 -9.499 -11.972) 15.283 5.296 ( 0.000 2.526 6.575) 7.044 5.886 ( 0.000 2.403 2.604) 3.544 6.804 ( -0.000 -2.416 -2.216) 3.279 7.293 ( 0.000 -2.140 -0.635) 2.232 7.922 ( -0.000 4.487 -0.057) 4.487 10.045 ( 0.000 -0.782 2.018) 2.164 11.604 ( 0.000 -7.315 1.440) 7.455 11.855 ( -0.000 2.545 -2.275) 3.413 12.117 ( -0.000 0.747 -2.025) 2.158 12.658 ( 0.000 -2.923 -0.089) 2.925 12.679 ( 0.000 -2.384 0.306) 2.403 31.784 ( 0.000 0.217 0.233) 0.318 31.913 ( -0.000 0.521 -0.277) 0.591 32.022 ( 0.000 0.277 0.237) 0.365 32.068 ( -0.000 0.141 -0.160) 0.214 32.784 ( -0.000 -0.033 -0.295) 0.297 32.869 ( -0.000 0.843 0.241) 0.877 36.295 ( 0.000 -0.081 0.178) 0.195 36.380 ( 0.000 -1.258 0.278) 1.289 36.393 ( -0.000 1.067 -0.376) 1.132 36.406 ( -0.000 0.176 -0.192) 0.261 68.817 ( -0.000 0.002 -0.102) 0.102 68.828 ( -0.000 0.315 0.065) 0.322 70.171 ( 0.000 -0.201 0.102) 0.225 70.290 ( -0.000 0.107 -0.108) 0.153 70.816 ( 0.000 -2.431 1.359) 2.786 71.080 ( 0.000 0.019 1.779) 1.779 71.490 ( -0.000 0.853 -1.476) 1.705 71.796 ( -0.000 1.013 -0.599) 1.177 ======================= Grid point 286 (113/231) ======================= q-point: (-0.31 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -0.782 6.170 20.254) 21.187 2.743 ( 0.717 -9.874 -9.740) 13.888 3.028 ( 8.481 0.688 -1.078) 8.577 3.106 ( 0.518 -5.494 10.951) 12.263 4.007 ( -2.034 1.477 -6.382) 6.859 4.737 ( -2.467 -12.260 -11.928) 17.282 5.009 ( 7.686 3.495 6.306) 10.538 5.393 ( 4.805 4.631 7.419) 9.979 5.887 ( -4.823 3.740 3.000) 6.801 6.823 ( 6.185 -2.834 -2.298) 7.181 7.237 ( -2.405 -3.627 -0.247) 4.359 7.936 ( -4.036 4.536 -0.453) 6.088 10.131 ( 9.847 -0.795 1.814) 10.044 11.477 ( -3.359 -12.943 0.920) 13.403 11.849 ( -3.549 4.653 -2.367) 6.313 12.142 ( 2.643 0.308 -1.546) 3.078 12.620 ( 0.502 -5.089 -0.095) 5.115 12.642 ( -0.269 -4.678 0.443) 4.706 31.787 ( -0.177 0.556 0.204) 0.618 31.914 ( -0.574 0.904 -0.282) 1.107 32.027 ( 0.154 0.320 0.393) 0.529 32.069 ( 0.013 0.204 -0.158) 0.258 32.786 ( 0.117 0.412 -0.372) 0.568 32.875 ( -0.595 1.150 0.246) 1.318 36.298 ( 0.398 -0.126 0.193) 0.460 36.367 ( -0.151 -1.223 0.197) 1.248 36.399 ( -0.222 0.915 -0.310) 0.991 36.407 ( -0.074 0.370 -0.237) 0.446 68.815 ( -0.200 0.109 -0.155) 0.276 68.831 ( -0.243 0.493 0.147) 0.569 70.167 ( -0.126 -0.344 0.108) 0.382 70.295 ( 0.473 0.054 -0.124) 0.492 70.807 ( 2.176 -4.174 1.488) 4.937 71.083 ( -0.027 -1.020 2.816) 2.995 71.498 ( 0.170 1.915 -2.425) 3.094 71.794 ( -1.721 2.172 -0.645) 2.845 ======================= Grid point 287 (114/231) ======================= q-point: (-0.23 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 1.411 -1.086 16.662) 16.757 2.637 ( 2.014 -7.716 -7.228) 10.763 3.044 ( -0.003 -7.723 12.663) 14.833 3.267 ( 12.843 -1.155 1.522) 12.984 3.968 ( -2.267 4.595 -7.786) 9.320 4.515 ( -3.156 -13.145 -11.458) 17.720 5.179 ( 4.914 6.064 -2.261) 8.126 5.620 ( 11.185 3.128 12.223) 16.861 5.830 ( -6.280 4.960 1.262) 8.101 6.898 ( 4.579 -4.584 0.660) 6.513 7.188 ( 2.046 -0.860 -0.870) 2.384 7.853 ( -8.657 1.034 -1.615) 8.866 10.355 ( 16.015 -1.536 1.124) 16.128 11.259 ( -5.472 -15.204 0.521) 16.167 11.819 ( -4.351 5.323 -2.246) 7.233 12.183 ( 2.292 -0.705 -0.668) 2.489 12.584 ( 1.849 -5.799 -0.104) 6.087 12.591 ( 0.492 -5.712 0.492) 5.754 31.791 ( -0.248 0.893 0.125) 0.935 31.909 ( -0.961 1.095 -0.223) 1.474 32.036 ( 0.211 0.376 0.416) 0.599 32.069 ( -0.186 0.058 -0.041) 0.199 32.793 ( 0.225 0.760 -0.372) 0.875 32.873 ( -1.130 1.252 0.182) 1.696 36.306 ( 0.688 -0.195 0.184) 0.738 36.353 ( -0.193 -1.101 0.151) 1.128 36.400 ( -0.396 0.614 -0.126) 0.742 36.409 ( -0.147 0.712 -0.382) 0.822 68.811 ( -0.274 0.206 -0.158) 0.377 68.831 ( -0.405 0.657 0.182) 0.793 70.162 ( -0.070 -0.266 0.074) 0.285 70.303 ( 0.581 -0.380 -0.121) 0.705 70.820 ( 3.887 -4.800 1.282) 6.308 71.081 ( -0.022 -1.717 3.570) 3.961 71.511 ( 0.236 1.897 -3.321) 3.832 71.778 ( -2.973 3.326 -0.357) 4.475 ======================= Grid point 288 (115/231) ======================= q-point: (-0.15 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 3.769 -10.854 -0.212) 11.492 2.655 ( 5.776 -3.314 10.048) 12.054 3.035 ( 0.091 -4.055 12.188) 12.845 3.420 ( 8.821 -7.578 0.817) 11.657 3.980 ( 0.177 7.475 -8.053) 10.989 4.303 ( -3.507 -9.190 -10.209) 14.176 5.282 ( 2.179 5.922 -5.748) 8.535 5.713 ( -4.992 2.712 7.189) 9.163 5.950 ( 9.585 4.306 2.427) 10.784 6.872 ( -0.069 -5.464 3.154) 6.309 7.296 ( 6.547 2.643 -1.143) 7.152 7.666 ( -9.235 -3.652 -1.082) 9.990 10.584 ( 11.312 -6.674 -1.485) 13.218 11.058 ( 0.727 -11.057 2.053) 11.269 11.796 ( -3.815 5.958 -1.808) 7.303 12.187 ( -0.279 -2.176 0.098) 2.196 12.562 ( 2.533 -5.272 0.406) 5.863 12.575 ( 3.561 -5.177 -0.082) 6.284 31.797 ( -0.228 1.131 -0.031) 1.154 31.902 ( -1.053 1.131 -0.074) 1.547 32.044 ( 0.115 0.316 0.367) 0.498 32.063 ( -0.458 -0.158 0.113) 0.497 32.803 ( 0.063 0.782 -0.526) 0.945 32.865 ( -1.234 1.277 0.316) 1.803 36.317 ( 0.654 -0.367 0.075) 0.753 36.342 ( 0.062 -0.828 0.204) 0.855 36.398 ( -0.462 0.451 0.021) 0.646 36.412 ( -0.283 0.885 -0.481) 1.046 68.809 ( -0.198 0.258 -0.121) 0.348 68.831 ( -0.459 0.778 0.174) 0.920 70.161 ( 0.090 -0.162 0.055) 0.193 70.305 ( 0.413 -0.750 -0.108) 0.863 70.850 ( 4.564 -4.756 0.461) 6.608 71.080 ( 0.215 -1.652 4.102) 4.427 71.513 ( -0.154 0.962 -3.852) 3.973 71.761 ( -3.211 4.216 0.143) 5.302 ======================= Grid point 299 (116/231) ======================= q-point: (-0.31 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 0.000 0.401 20.918) 20.922 2.567 ( -0.000 -14.253 -11.919) 18.580 2.972 ( -0.000 2.947 0.037) 2.948 3.090 ( 0.000 -6.228 14.889) 16.140 4.018 ( -0.000 2.887 -7.842) 8.356 4.536 ( -0.000 -18.796 -15.836) 24.578 5.012 ( 0.000 2.710 13.892) 14.154 5.448 ( -0.000 9.273 2.977) 9.739 6.001 ( 0.000 6.286 5.028) 8.049 6.713 ( -0.000 -3.995 -4.899) 6.321 7.211 ( 0.000 -5.758 0.907) 5.829 8.022 ( -0.000 5.101 -1.719) 5.383 10.045 ( 0.000 -0.681 1.836) 1.959 11.365 ( 0.000 -15.541 -0.442) 15.548 11.918 ( -0.000 3.833 -0.637) 3.886 12.114 ( -0.000 0.395 -2.029) 2.067 12.550 ( 0.000 -7.777 -0.100) 7.778 12.587 ( 0.000 -7.051 0.524) 7.071 31.796 ( -0.000 0.805 0.236) 0.839 31.929 ( -0.000 1.362 -0.312) 1.397 32.031 ( 0.000 0.317 0.556) 0.640 32.072 ( -0.000 0.388 -0.182) 0.428 32.789 ( -0.000 0.863 -0.386) 0.946 32.894 ( -0.000 1.464 0.124) 1.470 36.294 ( 0.000 -0.132 0.222) 0.258 36.357 ( 0.000 -1.196 0.127) 1.203 36.409 ( -0.000 0.858 -0.288) 0.905 36.410 ( -0.000 0.393 -0.225) 0.452 68.818 ( -0.000 0.234 -0.210) 0.314 68.839 ( -0.000 0.685 0.238) 0.725 70.164 ( 0.000 -0.567 0.107) 0.577 70.293 ( -0.000 0.227 -0.143) 0.268 70.743 ( 0.000 -5.781 1.729) 6.034 71.082 ( 0.000 -1.964 4.119) 4.563 71.508 ( -0.000 2.535 -3.693) 4.480 71.833 ( -0.000 3.251 -0.707) 3.327 ======================= Grid point 300 (117/231) ======================= q-point: (-0.23 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -0.683 -15.010 -4.542) 15.697 2.495 ( 3.990 -10.780 10.349) 15.467 3.035 ( 1.864 0.137 7.316) 7.551 3.133 ( 3.716 -0.541 12.061) 12.632 4.006 ( -0.902 2.548 -8.772) 9.179 4.291 ( 1.495 -19.269 -15.227) 24.605 5.154 ( 6.112 3.853 9.943) 12.291 5.583 ( 3.384 9.671 4.509) 11.194 6.022 ( -7.044 6.627 4.362) 10.610 6.734 ( 8.245 -3.545 -3.629) 9.681 7.145 ( -0.591 -5.914 1.419) 6.111 7.998 ( -6.429 2.538 -3.812) 7.893 10.127 ( 9.273 -1.008 1.525) 9.451 11.173 ( -3.112 -16.834 -1.224) 17.163 11.922 ( -3.071 3.513 -0.110) 4.668 12.133 ( 2.389 -0.169 -1.316) 2.733 12.478 ( 1.682 -8.942 -0.107) 9.100 12.515 ( 0.470 -8.263 0.537) 8.294 31.804 ( -0.145 1.053 0.207) 1.083 31.937 ( -0.719 1.591 -0.271) 1.767 32.038 ( 0.171 0.366 0.562) 0.692 32.074 ( -0.159 0.345 -0.046) 0.383 32.799 ( 0.066 1.217 -0.342) 1.266 32.904 ( -0.712 1.583 -0.061) 1.737 36.297 ( 0.356 -0.153 0.232) 0.451 36.345 ( -0.094 -1.098 0.076) 1.104 36.411 ( -0.227 0.506 -0.099) 0.564 36.416 ( -0.017 0.720 -0.356) 0.804 68.818 ( -0.204 0.353 -0.210) 0.458 68.846 ( -0.275 0.858 0.276) 0.943 70.159 ( 0.074 -0.510 0.065) 0.519 70.294 ( 0.054 -0.095 -0.138) 0.176 70.713 ( 2.689 -6.276 1.648) 7.023 71.077 ( -0.012 -2.606 5.230) 5.843 71.516 ( -0.094 2.329 -4.946) 5.468 71.854 ( -1.616 4.175 -0.496) 4.504 ======================= Grid point 301 (118/231) ======================= q-point: (-0.15 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 3.963 -16.670 -6.381) 18.284 2.495 ( 7.092 -15.988 13.174) 21.897 3.091 ( -1.019 1.674 14.908) 15.036 3.244 ( 6.113 -2.742 2.797) 7.260 3.951 ( 3.569 -11.591 -10.866) 16.284 4.154 ( 1.388 -0.989 -11.786) 11.908 5.308 ( 2.474 6.200 1.332) 6.807 5.779 ( 5.625 5.037 7.967) 10.976 5.969 ( -5.647 7.611 1.168) 9.548 6.818 ( 3.390 -3.366 0.241) 4.783 7.150 ( 7.881 -3.394 1.707) 8.749 7.823 ( -11.892 -1.938 -4.625) 12.906 10.316 ( 12.934 -3.203 0.188) 13.326 10.949 ( -2.398 -15.147 -0.963) 15.366 11.901 ( -3.261 3.775 0.121) 4.990 12.161 ( 1.440 -1.102 -0.259) 1.832 12.439 ( 3.907 -8.551 -0.012) 9.402 12.456 ( 2.356 -8.058 0.358) 8.403 31.813 ( -0.250 1.252 0.044) 1.277 31.935 ( -1.179 1.608 -0.111) 1.997 32.046 ( 0.137 0.377 0.398) 0.565 32.071 ( -0.451 0.123 0.273) 0.541 32.811 ( -0.053 1.278 -0.407) 1.343 32.902 ( -1.240 1.564 -0.057) 1.996 36.304 ( 0.552 -0.225 0.185) 0.624 36.334 ( -0.034 -0.915 0.071) 0.919 36.411 ( -0.420 0.466 0.073) 0.632 36.421 ( -0.051 0.765 -0.492) 0.911 68.816 ( -0.308 0.423 -0.150) 0.545 68.849 ( -0.475 0.984 0.239) 1.119 70.157 ( 0.121 -0.339 0.054) 0.364 70.292 ( 0.220 -0.591 -0.133) 0.644 70.720 ( 4.480 -5.981 0.914) 7.529 71.074 ( 0.282 -2.543 6.066) 6.584 71.511 ( -0.299 1.475 -5.755) 5.949 71.858 ( -2.803 4.709 -0.083) 5.480 ======================= Grid point 313 (119/231) ======================= q-point: (-0.23 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -0.000 -18.896 -13.430) 23.182 2.353 ( 0.000 -20.646 14.682) 25.334 3.040 ( 0.000 2.972 2.211) 3.704 3.182 ( 0.000 0.004 17.707) 17.707 3.865 ( -0.000 -22.990 -15.889) 27.946 4.152 ( -0.000 3.565 -5.175) 6.284 5.162 ( 0.000 1.367 14.345) 14.410 5.688 ( -0.000 12.596 1.667) 12.706 6.196 ( 0.000 8.321 6.973) 10.857 6.576 ( -0.000 -5.291 -6.782) 8.602 7.093 ( 0.000 -7.119 2.113) 7.426 8.060 ( -0.000 1.594 -7.155) 7.331 10.044 ( 0.000 -0.878 1.640) 1.860 11.024 ( 0.000 -17.410 -1.965) 17.521 11.985 ( 0.000 2.627 1.766) 3.166 12.098 ( -0.000 -0.562 -2.029) 2.106 12.363 ( 0.000 -10.646 -0.172) 10.648 12.424 ( 0.000 -9.376 0.551) 9.392 31.818 ( -0.000 1.170 0.274) 1.202 31.960 ( -0.000 1.908 -0.301) 1.932 32.042 ( 0.000 0.335 0.639) 0.722 32.080 ( -0.000 0.487 0.019) 0.488 32.812 ( -0.000 1.587 -0.298) 1.615 32.926 ( -0.000 1.739 -0.360) 1.776 36.293 ( 0.000 -0.128 0.254) 0.284 36.335 ( 0.000 -1.026 0.026) 1.027 36.417 ( -0.000 0.499 -0.235) 0.551 36.422 ( -0.000 0.602 -0.113) 0.613 68.823 ( -0.000 0.500 -0.225) 0.548 68.859 ( -0.000 1.042 0.337) 1.095 70.152 ( 0.000 -0.605 0.001) 0.605 70.295 ( -0.000 0.047 -0.122) 0.131 70.628 ( 0.000 -7.023 1.850) 7.262 71.070 ( 0.000 -3.277 6.809) 7.557 71.518 ( -0.000 2.221 -6.676) 7.036 71.910 ( -0.000 4.811 -0.444) 4.831 ======================= Grid point 314 (120/231) ======================= q-point: (-0.15 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 3.040 -20.318 -10.601) 23.118 2.223 ( 5.838 -24.981 12.477) 28.527 3.115 ( 3.873 2.265 3.603) 5.755 3.212 ( 0.297 -5.270 9.832) 11.160 3.586 ( 3.951 -25.775 -13.471) 29.350 4.209 ( -1.245 10.942 -2.087) 11.208 5.288 ( 6.009 1.716 10.065) 11.847 5.822 ( 0.856 11.139 3.322) 11.655 6.177 ( -9.352 4.857 2.883) 10.925 6.656 ( 12.318 -1.191 -1.913) 12.523 7.031 ( 0.721 -7.065 2.643) 7.577 7.958 ( -8.157 -1.667 -9.549) 12.669 10.111 ( 7.916 -1.684 1.146) 8.174 10.827 ( -1.994 -16.280 -1.973) 16.520 11.985 ( -2.803 2.210 1.475) 3.862 12.113 ( 2.622 -1.369 -0.646) 3.028 12.283 ( 3.104 -10.232 -0.186) 10.694 12.341 ( 0.950 -9.107 0.369) 9.164 31.829 ( -0.141 1.270 0.203) 1.294 31.970 ( -0.866 1.930 -0.199) 2.124 32.049 ( 0.154 0.362 0.485) 0.625 32.082 ( -0.324 0.378 0.325) 0.595 32.826 ( -0.135 1.676 -0.343) 1.716 32.935 ( -0.754 1.732 -0.479) 1.948 36.295 ( 0.292 -0.141 0.236) 0.401 36.326 ( -0.028 -0.892 0.002) 0.892 36.420 ( -0.135 0.493 -0.057) 0.514 36.426 ( -0.040 0.546 -0.219) 0.590 68.826 ( -0.231 0.594 -0.176) 0.662 68.868 ( -0.334 1.169 0.302) 1.253 70.149 ( 0.288 -0.440 -0.029) 0.527 70.288 ( -0.448 -0.390 -0.091) 0.601 70.595 ( 3.189 -6.687 1.439) 7.547 71.067 ( 0.242 -3.347 8.135) 8.800 71.507 ( -0.338 1.613 -7.990) 8.158 71.944 ( -1.589 5.037 -0.211) 5.286 ======================= Grid point 327 (121/231) ======================= q-point: (-0.15 -0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.000 -22.476 -11.895) 25.430 1.936 ( 0.000 -29.952 10.855) 31.858 2.968 ( 0.000 -34.662 -10.256) 36.148 3.116 ( 0.000 2.687 2.742) 3.839 3.416 ( 0.000 -4.779 2.576) 5.429 4.349 ( -0.000 13.027 3.778) 13.564 5.276 ( 0.000 -0.159 12.471) 12.472 5.952 ( -0.000 11.728 4.170) 12.447 6.398 ( 0.000 4.096 10.318) 11.101 6.410 ( -0.000 -5.924 -7.111) 9.256 6.981 ( 0.000 -4.453 0.543) 4.486 7.966 ( -0.000 -2.651 -14.549) 14.788 10.034 ( 0.000 -1.358 1.506) 2.028 10.680 ( 0.000 -15.367 -1.845) 15.478 12.048 ( 0.000 -3.845 -1.308) 4.061 12.050 ( 0.000 1.974 3.152) 3.719 12.146 ( 0.000 -10.636 -0.404) 10.644 12.255 ( 0.000 -6.976 -0.124) 6.977 31.844 ( -0.000 1.229 0.323) 1.271 31.997 ( -0.000 2.027 -0.265) 2.045 32.053 ( 0.000 0.323 0.497) 0.593 32.091 ( 0.000 0.454 0.428) 0.624 32.844 ( -0.000 1.829 -0.434) 1.880 32.956 ( -0.000 1.739 -0.718) 1.881 36.293 ( 0.000 -0.104 0.238) 0.259 36.317 ( 0.000 -0.800 -0.038) 0.801 36.425 ( -0.000 0.498 -0.205) 0.539 36.431 ( -0.000 0.364 0.114) 0.382 68.834 ( -0.000 0.713 -0.163) 0.731 68.884 ( -0.000 1.295 0.302) 1.330 70.141 ( 0.000 -0.406 -0.125) 0.425 70.292 ( 0.000 -0.252 -0.069) 0.262 70.503 ( 0.000 -6.855 1.700) 7.063 71.064 ( 0.000 -3.687 10.164) 10.812 71.491 ( -0.000 1.483 -10.172) 10.280 72.007 ( -0.000 5.011 -0.187) 5.014 ======================= Grid point 370 (122/231) ======================= q-point: ( 0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 0.000 -0.000 34.473) 34.473 0.802 ( 0.000 -0.000 34.473) 34.473 0.996 ( 0.000 -0.000 43.332) 43.332 3.148 ( -0.000 0.000 -6.756) 6.756 3.148 ( -0.000 0.000 -6.756) 6.756 4.883 ( -0.000 0.000 -20.798) 20.798 5.193 ( -0.000 0.000 -9.044) 9.044 5.193 ( -0.000 0.000 -9.044) 9.044 6.261 ( 0.000 -0.000 9.565) 9.565 6.261 ( 0.000 -0.000 9.565) 9.565 7.312 ( 0.000 -0.000 11.470) 11.470 8.409 ( -0.000 0.000 -3.551) 3.551 10.021 ( 0.000 -0.000 3.992) 3.992 10.021 ( 0.000 -0.000 3.992) 3.992 11.748 ( -0.000 0.000 -0.665) 0.665 11.792 ( 0.000 -0.000 0.188) 0.188 12.095 ( -0.000 0.000 -3.768) 3.768 12.095 ( -0.000 0.000 -3.768) 3.768 31.898 ( 0.000 -0.000 0.619) 0.619 31.898 ( 0.000 -0.000 0.619) 0.619 32.062 ( -0.000 0.000 -0.498) 0.498 32.062 ( -0.000 0.000 -0.498) 0.498 33.006 ( -0.000 0.000 -0.639) 0.639 33.126 ( 0.000 -0.000 0.628) 0.628 36.289 ( -0.000 0.000 -0.180) 0.180 36.289 ( -0.000 0.000 -0.180) 0.180 36.442 ( 0.000 -0.000 0.066) 0.066 36.442 ( 0.000 -0.000 0.066) 0.066 68.869 ( 0.000 -0.000 0.370) 0.370 68.975 ( -0.000 0.000 -0.415) 0.415 70.132 ( -0.000 0.000 -0.162) 0.162 70.132 ( -0.000 0.000 -0.162) 0.162 70.277 ( 0.000 -0.000 0.381) 0.381 70.277 ( 0.000 -0.000 0.381) 0.381 72.068 ( 0.000 -0.000 0.186) 0.186 72.180 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 371 (123/231) ======================= q-point: ( 0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 0.998 0.576 24.288) 24.315 1.045 ( 10.002 5.775 28.444) 30.699 1.813 ( 35.464 20.475 34.313) 53.425 3.127 ( 0.013 0.007 -11.965) 11.965 3.133 ( 0.390 0.225 -6.891) 6.906 4.723 ( -4.032 -2.328 -16.206) 16.862 5.216 ( 2.489 1.437 -9.497) 9.923 5.520 ( 24.449 14.116 -26.511) 38.728 6.309 ( 2.034 1.174 10.294) 10.558 6.420 ( 8.461 4.885 8.309) 12.826 7.288 ( -6.266 -3.618 11.274) 13.396 8.096 ( -19.799 -11.431 8.994) 24.567 10.074 ( 2.093 1.209 5.005) 5.558 10.141 ( 7.653 4.418 -0.592) 8.857 11.792 ( 4.099 2.367 -0.612) 4.773 11.832 ( 3.191 1.842 -0.142) 3.687 12.055 ( -0.556 -0.321 -4.677) 4.720 12.112 ( 1.274 0.736 -3.015) 3.355 31.900 ( -0.253 -0.146 0.823) 0.873 31.960 ( 3.467 2.001 -3.048) 5.031 32.047 ( -0.957 -0.552 -0.646) 1.280 32.064 ( 0.157 0.091 -0.435) 0.472 32.973 ( -2.542 -1.467 0.155) 2.939 33.069 ( -3.277 -1.892 3.216) 4.966 36.290 ( 0.188 0.108 -0.234) 0.319 36.290 ( 0.120 0.069 -0.156) 0.209 36.439 ( -0.263 -0.152 0.041) 0.306 36.449 ( 0.381 0.220 0.135) 0.460 68.865 ( -0.489 -0.282 0.396) 0.689 68.945 ( -1.622 -0.936 0.099) 1.875 70.128 ( -0.110 -0.064 -0.206) 0.242 70.283 ( 0.291 0.168 0.388) 0.513 70.304 ( 4.797 2.769 -1.944) 5.870 70.398 ( 13.924 8.039 -10.245) 19.065 71.927 ( -9.156 -5.286 8.230) 13.398 72.157 ( -1.962 -1.133 -0.045) 2.266 ======================= Grid point 372 (124/231) ======================= q-point: ( 0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 20.567 11.875 -1.249) 23.782 1.405 ( 12.596 7.272 20.878) 25.445 2.721 ( 32.766 18.917 27.002) 46.482 3.060 ( -0.534 -0.308 -14.939) 14.951 3.115 ( 0.098 0.057 -5.983) 5.985 4.611 ( -1.282 -0.740 -9.839) 9.950 5.226 ( 1.741 1.005 -11.061) 11.242 5.881 ( 13.840 7.990 -20.195) 25.753 6.426 ( 4.454 2.571 10.809) 11.971 6.683 ( 12.008 6.933 2.317) 14.058 7.112 ( -11.949 -6.899 10.800) 17.522 7.717 ( -15.771 -9.105 7.363) 19.643 10.148 ( 2.534 1.463 5.253) 6.013 10.344 ( 10.626 6.135 -0.143) 12.271 11.898 ( 1.975 1.140 -2.227) 3.188 11.928 ( 7.581 4.377 -0.740) 8.785 12.068 ( 4.057 2.342 -2.749) 5.431 12.126 ( 0.701 0.405 -1.899) 2.064 31.892 ( -0.698 -0.403 0.861) 1.180 32.002 ( 1.449 0.837 -2.914) 3.360 32.016 ( -1.553 -0.896 -0.653) 1.908 32.065 ( 0.066 0.038 -0.360) 0.368 32.916 ( -2.337 -1.349 0.812) 2.818 33.015 ( -2.643 -1.526 2.058) 3.681 36.293 ( 0.190 0.110 -0.122) 0.251 36.296 ( 0.407 0.235 -0.222) 0.520 36.431 ( -0.452 -0.261 0.021) 0.523 36.456 ( 0.173 0.100 0.342) 0.396 68.851 ( -0.766 -0.442 0.327) 0.943 68.911 ( -1.337 -0.772 -0.273) 1.567 70.127 ( 0.092 0.053 -0.185) 0.214 70.292 ( 0.303 0.175 0.317) 0.472 70.417 ( 5.812 3.355 0.021) 6.711 70.629 ( 9.991 5.768 -12.536) 17.037 71.786 ( -6.225 -3.594 9.594) 11.988 72.093 ( -3.635 -2.098 -0.138) 4.199 ======================= Grid point 373 (125/231) ======================= q-point: ( 0.38 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 23.387 13.502 -13.153) 30.038 1.755 ( 11.897 6.869 15.243) 20.520 2.985 ( 1.395 0.806 -17.149) 17.225 3.090 ( -0.647 -0.373 -4.168) 4.234 3.497 ( 24.960 14.411 20.899) 35.601 4.590 ( 0.963 0.556 -0.286) 1.148 5.214 ( 1.271 0.734 -12.180) 12.268 6.001 ( 1.829 1.056 -6.616) 6.945 6.576 ( 4.883 2.819 10.032) 11.508 6.697 ( -12.964 -7.484 -3.568) 15.388 7.090 ( 9.164 5.291 1.825) 10.738 7.454 ( -8.359 -4.826 5.608) 11.163 10.220 ( 2.058 1.188 4.316) 4.927 10.624 ( 13.620 7.864 0.688) 15.742 11.895 ( -0.333 -0.192 -3.522) 3.543 12.126 ( -0.351 -0.203 -0.758) 0.859 12.128 ( 9.803 5.660 -0.350) 11.325 12.214 ( 8.384 4.841 -0.844) 9.718 31.876 ( -1.019 -0.588 0.682) 1.360 31.975 ( -1.798 -1.038 -0.476) 2.131 32.013 ( 0.513 0.296 -1.975) 2.062 32.064 ( -0.068 -0.039 -0.144) 0.164 32.876 ( -1.452 -0.838 0.639) 1.794 32.958 ( -2.812 -1.623 0.963) 3.387 36.298 ( 0.245 0.141 -0.096) 0.298 36.306 ( 0.612 0.354 -0.180) 0.730 36.419 ( -0.572 -0.330 0.024) 0.660 36.458 ( -0.204 -0.118 0.436) 0.496 68.835 ( -0.736 -0.425 0.230) 0.880 68.882 ( -1.145 -0.661 -0.398) 1.380 70.132 ( 0.403 0.233 -0.149) 0.489 70.298 ( 0.113 0.065 0.229) 0.264 70.564 ( 6.826 3.941 0.430) 7.893 70.776 ( 6.947 4.011 -9.829) 12.687 71.704 ( -4.229 -2.442 7.719) 9.134 71.996 ( -4.648 -2.683 -0.192) 5.370 ======================= Grid point 374 (126/231) ======================= q-point: ( 0.46 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 21.721 12.540 -19.481) 31.758 2.058 ( 10.367 5.985 11.402) 16.532 3.008 ( 6.358 3.671 -14.437) 16.197 3.049 ( -2.028 -1.171 -1.969) 3.060 3.982 ( 11.221 6.478 12.362) 17.908 4.633 ( 0.444 0.256 9.551) 9.565 5.199 ( 1.518 0.876 -12.113) 12.239 5.949 ( -4.242 -2.449 0.562) 4.930 6.360 ( -13.632 -7.871 -4.027) 16.248 6.708 ( 3.447 1.990 7.901) 8.847 7.167 ( 0.026 0.015 -10.664) 10.664 7.485 ( 6.432 3.714 8.486) 11.277 10.267 ( 0.937 0.541 1.995) 2.270 10.954 ( 14.771 8.528 0.720) 17.071 11.878 ( -0.015 -0.009 -1.604) 1.604 12.099 ( -2.137 -1.234 0.271) 2.482 12.353 ( 9.605 5.546 -0.149) 11.092 12.410 ( 8.543 4.932 -0.573) 9.881 31.853 ( -1.131 -0.653 0.280) 1.335 31.934 ( -1.623 -0.937 -0.111) 1.877 32.014 ( 0.189 0.109 -1.268) 1.287 32.062 ( -0.135 -0.078 0.117) 0.195 32.853 ( -0.862 -0.498 0.797) 1.275 32.898 ( -2.518 -1.454 -0.069) 2.908 36.303 ( 0.250 0.145 -0.114) 0.311 36.322 ( 0.801 0.463 -0.129) 0.934 36.406 ( -0.568 -0.328 0.078) 0.661 36.450 ( -0.612 -0.354 0.389) 0.807 68.821 ( -0.457 -0.264 0.187) 0.560 68.857 ( -0.948 -0.548 -0.346) 1.148 70.144 ( 0.668 0.386 -0.129) 0.782 70.298 ( -0.153 -0.089 0.167) 0.243 70.723 ( 6.875 3.969 0.140) 7.940 70.880 ( 5.072 2.928 -6.794) 8.970 71.641 ( -3.699 -2.136 5.237) 6.758 71.889 ( -4.478 -2.585 0.052) 5.171 ======================= Grid point 375 (127/231) ======================= q-point: ( 0.54 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 8.389 4.843 9.280) 13.414 2.332 ( 19.024 10.983 -21.939) 31.046 2.981 ( -3.633 -2.098 -0.134) 4.197 3.165 ( 11.231 6.484 -11.333) 17.223 4.099 ( -3.067 -1.771 6.293) 7.221 4.635 ( -5.081 -2.933 15.629) 16.694 5.197 ( 2.271 1.311 -11.053) 11.359 5.882 ( -0.970 -0.560 0.273) 1.153 6.065 ( -10.565 -6.100 -5.847) 13.529 6.784 ( 0.999 0.577 5.113) 5.242 7.156 ( 2.121 1.225 -5.212) 5.759 7.649 ( 5.270 3.043 3.751) 7.148 10.275 ( -0.384 -0.222 -1.138) 1.221 11.283 ( 13.723 7.923 0.114) 15.846 11.886 ( 0.798 0.461 1.279) 1.577 12.024 ( -4.870 -2.812 1.101) 5.730 12.545 ( 6.989 4.035 0.012) 8.070 12.580 ( 6.293 3.633 -0.468) 7.282 31.828 ( -0.967 -0.558 -0.208) 1.135 31.903 ( -1.069 -0.617 0.314) 1.273 32.015 ( 0.210 0.121 -0.747) 0.785 32.059 ( -0.179 -0.104 0.293) 0.359 32.831 ( -1.724 -0.995 1.103) 2.276 32.858 ( -0.466 -0.269 -0.850) 1.006 36.308 ( 0.169 0.098 -0.203) 0.282 36.341 ( 0.932 0.538 -0.072) 1.078 36.395 ( -0.398 -0.230 0.200) 0.501 36.433 ( -0.925 -0.534 0.256) 1.099 68.816 ( -0.097 -0.056 0.188) 0.218 68.836 ( -0.728 -0.420 -0.235) 0.873 70.159 ( 0.716 0.413 -0.125) 0.836 70.293 ( -0.327 -0.189 0.140) 0.403 70.866 ( 5.613 3.241 -1.679) 6.695 70.959 ( 3.740 2.159 -2.938) 5.223 71.568 ( -4.002 -2.311 2.643) 5.324 71.804 ( -2.927 -1.690 0.702) 3.452 ======================= Grid point 376 (128/231) ======================= q-point: ( 0.62 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 4.032 2.328 9.075) 10.200 2.645 ( 15.363 8.870 -20.939) 27.443 2.894 ( -3.348 -1.933 0.313) 3.879 3.387 ( 10.691 6.173 -12.039) 17.243 3.967 ( -8.183 -4.725 5.308) 10.838 4.528 ( -9.468 -5.466 18.616) 21.589 5.219 ( 3.087 1.783 -9.675) 10.311 5.802 ( -6.674 -3.853 -10.809) 13.275 5.932 ( 1.678 0.969 0.141) 1.943 6.791 ( -1.675 -0.967 2.559) 3.208 7.205 ( 2.435 1.406 0.048) 2.812 7.757 ( 3.469 2.003 2.540) 4.743 10.244 ( -1.423 -0.821 -3.843) 4.179 11.564 ( 10.745 6.203 -0.865) 12.437 11.881 ( -8.064 -4.656 1.811) 9.486 11.923 ( 1.473 0.851 3.763) 4.130 12.656 ( 2.526 1.459 0.073) 2.918 12.681 ( 2.492 1.439 -0.295) 2.893 31.809 ( -0.525 -0.303 -0.552) 0.819 31.889 ( -0.286 -0.165 0.585) 0.672 32.019 ( 0.400 0.231 -0.366) 0.589 32.056 ( -0.160 -0.092 0.376) 0.419 32.798 ( -1.167 -0.674 0.135) 1.354 32.857 ( 0.360 0.208 -0.095) 0.427 36.309 ( 0.007 0.004 -0.325) 0.325 36.363 ( 0.869 0.502 0.040) 1.004 36.390 ( -0.085 -0.049 0.346) 0.360 36.412 ( -0.982 -0.567 0.041) 1.135 68.818 ( 0.169 0.098 0.153) 0.248 68.822 ( -0.403 -0.232 -0.091) 0.474 70.172 ( 0.391 0.226 -0.115) 0.466 70.286 ( -0.224 -0.129 0.132) 0.291 70.937 ( 1.254 0.724 -4.156) 4.401 71.043 ( 3.853 2.225 0.952) 4.550 71.489 ( -3.101 -1.791 0.852) 3.681 71.763 ( -1.049 -0.606 1.035) 1.593 ======================= Grid point 377 (129/231) ======================= q-point: (-0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -6.637 -3.832 9.554) 12.248 2.846 ( 7.800 4.503 -17.295) 19.500 2.883 ( 2.780 1.605 -0.114) 3.212 3.481 ( 1.049 0.605 -11.726) 11.789 3.867 ( -1.302 -0.752 3.296) 3.622 4.372 ( -10.067 -5.812 18.270) 21.655 5.260 ( 3.438 1.985 -8.841) 9.691 5.632 ( -3.686 -2.128 -11.178) 11.961 6.001 ( 4.346 2.509 -2.254) 5.501 6.732 ( -3.971 -2.292 1.146) 4.726 7.245 ( 0.485 0.280 1.389) 1.498 7.836 ( 2.413 1.393 4.477) 5.273 10.188 ( -1.871 -1.080 -5.139) 5.575 11.627 ( -10.204 -5.891 0.734) 11.805 11.803 ( 6.019 3.475 -0.218) 6.953 11.977 ( 1.670 0.964 4.998) 5.357 12.656 ( -2.510 -1.449 0.034) 2.899 12.686 ( -1.987 -1.147 -0.083) 2.296 31.802 ( 0.061 0.035 -0.689) 0.693 31.895 ( 0.559 0.323 0.658) 0.921 32.030 ( 0.586 0.339 -0.196) 0.705 32.055 ( -0.025 -0.014 0.479) 0.480 32.783 ( -0.126 -0.073 -0.247) 0.287 32.870 ( 0.709 0.409 0.226) 0.849 36.306 ( -0.126 -0.073 -0.383) 0.409 36.373 ( -0.401 -0.232 0.435) 0.636 36.394 ( 0.223 0.129 0.412) 0.486 36.398 ( 0.206 0.119 -0.453) 0.512 68.814 ( -0.174 -0.101 0.017) 0.202 68.828 ( 0.517 0.299 0.091) 0.604 70.174 ( -0.200 -0.116 -0.062) 0.239 70.285 ( 0.102 0.059 0.106) 0.158 70.901 ( -2.879 -1.662 -3.270) 4.663 71.120 ( 2.342 1.352 0.832) 2.830 71.445 ( -0.914 -0.527 0.125) 1.062 71.765 ( 0.950 0.549 0.996) 1.481 ======================= Grid point 378 (130/231) ======================= q-point: (-0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -12.970 -7.488 9.213) 17.583 2.820 ( -6.211 -3.586 -10.775) 12.943 2.974 ( 4.303 2.484 -0.175) 4.971 3.419 ( -1.659 -0.958 -9.063) 9.263 3.886 ( 1.136 0.656 -0.103) 1.316 4.187 ( -11.613 -6.705 12.173) 18.111 5.300 ( 2.837 1.638 -9.306) 9.865 5.588 ( 3.708 2.141 -8.415) 9.441 6.115 ( 6.828 3.942 -4.196) 8.931 6.628 ( -5.372 -3.102 1.661) 6.422 7.227 ( -2.351 -1.357 -0.815) 2.834 7.900 ( 0.964 0.557 8.641) 8.712 10.126 ( -1.780 -1.028 -4.875) 5.291 11.337 ( -14.583 -8.419 1.806) 16.935 11.932 ( 4.846 2.798 -1.708) 5.851 12.031 ( 1.291 0.746 4.875) 5.098 12.548 ( -6.789 -3.920 0.054) 7.840 12.593 ( -5.997 -3.462 -0.024) 6.924 31.807 ( 0.597 0.345 -0.676) 0.966 31.918 ( 1.288 0.743 0.604) 1.605 32.042 ( 0.481 0.278 -0.399) 0.684 32.061 ( 0.377 0.218 0.748) 0.866 32.789 ( 0.726 0.419 -0.364) 0.914 32.891 ( 1.058 0.611 0.398) 1.284 36.301 ( -0.161 -0.093 -0.355) 0.401 36.355 ( -0.985 -0.569 0.294) 1.174 36.403 ( 0.408 0.236 0.377) 0.603 36.410 ( 0.710 0.410 -0.385) 0.906 68.814 ( 0.140 0.081 0.107) 0.194 68.843 ( 0.755 0.436 -0.037) 0.873 70.165 ( -0.568 -0.328 0.025) 0.657 70.290 ( 0.224 0.129 0.064) 0.266 70.793 ( -5.375 -3.103 -2.491) 6.688 71.153 ( 0.501 0.289 -0.558) 0.804 71.439 ( -0.040 -0.023 1.005) 1.006 71.815 ( 3.106 1.793 0.819) 3.678 ======================= Grid point 379 (131/231) ======================= q-point: (-0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -16.676 -9.628 9.813) 21.612 2.489 ( -18.907 -10.916 -8.122) 23.294 3.060 ( 3.364 1.942 -1.236) 4.076 3.342 ( -3.416 -1.972 -9.605) 10.383 3.699 ( -20.413 -11.786 12.423) 26.645 4.134 ( 7.302 4.216 -2.758) 8.871 5.310 ( 1.304 0.753 -11.022) 11.124 5.728 ( 9.900 5.716 -5.042) 12.494 6.273 ( 8.320 4.803 -6.384) 11.534 6.512 ( -5.626 -3.248 4.137) 7.702 7.124 ( -5.829 -3.365 -3.512) 7.592 7.946 ( -0.558 -0.322 12.811) 12.827 10.073 ( -1.458 -0.842 -3.478) 3.864 11.001 ( -15.206 -8.779 2.104) 17.684 12.010 ( 2.853 1.647 -2.484) 4.126 12.066 ( 0.176 0.102 3.646) 3.652 12.362 ( -9.299 -5.369 0.145) 10.739 12.427 ( -8.106 -4.680 -0.066) 9.360 31.822 ( 0.950 0.549 -0.549) 1.227 31.955 ( 1.724 0.995 0.468) 2.045 32.048 ( 0.293 0.169 -0.487) 0.593 32.077 ( 0.676 0.390 0.557) 0.959 32.811 ( 1.265 0.730 -0.187) 1.473 32.921 ( 1.365 0.788 0.497) 1.653 36.296 ( -0.133 -0.077 -0.293) 0.331 36.335 ( -0.866 -0.500 0.163) 1.013 36.414 ( 0.468 0.270 0.292) 0.615 36.423 ( 0.515 0.297 -0.281) 0.658 68.821 ( 0.430 0.248 0.153) 0.519 68.862 ( 0.959 0.553 -0.193) 1.123 70.151 ( -0.561 -0.324 0.099) 0.656 70.294 ( 0.047 0.027 0.045) 0.070 70.650 ( -6.221 -3.592 -2.020) 7.462 71.138 ( -1.122 -0.648 -4.205) 4.400 71.450 ( 0.168 0.097 4.579) 4.583 71.905 ( 4.344 2.508 0.494) 5.040 ======================= Grid point 384 (132/231) ======================= q-point: ( 0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 0.000 0.761 26.131) 26.142 1.214 ( 0.000 13.477 29.972) 32.862 1.903 ( 0.000 36.954 33.955) 50.185 3.069 ( -0.000 -0.939 -9.392) 9.438 3.126 ( -0.000 2.217 -12.059) 12.261 4.635 ( -0.000 -6.572 -19.055) 20.156 5.071 ( -0.000 -2.254 -9.864) 10.118 5.432 ( -0.000 20.273 -17.819) 26.990 6.387 ( 0.000 3.853 9.631) 10.373 6.396 ( 0.000 4.187 8.537) 9.509 7.334 ( 0.000 -7.206 11.903) 13.914 8.201 ( 0.000 -10.662 2.879) 11.044 10.039 ( 0.000 -0.314 4.236) 4.248 10.191 ( -0.000 10.455 1.877) 10.622 11.788 ( -0.000 4.535 -0.687) 4.587 11.838 ( -0.000 4.489 0.069) 4.489 12.033 ( -0.000 -1.284 -4.686) 4.858 12.102 ( -0.000 2.144 -3.800) 4.363 31.891 ( 0.000 -0.866 0.622) 1.067 31.965 ( -0.000 4.459 -2.023) 4.897 32.053 ( -0.000 -0.693 -0.495) 0.852 32.054 ( -0.000 -0.226 -0.669) 0.707 32.973 ( 0.000 -2.704 -0.069) 2.705 33.081 ( 0.000 -3.492 2.669) 4.395 36.287 ( -0.000 -0.004 -0.216) 0.216 36.292 ( -0.000 0.363 -0.189) 0.410 36.442 ( 0.000 -0.164 0.090) 0.187 36.443 ( 0.000 -0.001 0.145) 0.145 68.867 ( 0.000 -0.525 0.459) 0.697 68.944 ( 0.000 -2.063 -0.035) 2.063 70.133 ( -0.000 0.125 -0.136) 0.185 70.248 ( -0.000 5.221 -3.548) 6.312 70.282 ( 0.000 0.249 0.394) 0.466 70.407 ( -0.000 14.122 -5.795) 15.265 71.956 ( 0.000 -8.916 6.201) 10.860 72.158 ( 0.000 -2.214 -0.043) 2.214 ======================= Grid point 385 (133/231) ======================= q-point: ( 0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 3.979 16.039 10.888) 19.790 1.485 ( 2.875 15.957 24.786) 29.618 2.582 ( 20.947 28.591 26.593) 44.310 3.015 ( -0.926 -0.443 -13.272) 13.311 3.096 ( 0.410 2.135 -9.540) 9.784 4.517 ( 1.700 -5.178 -14.273) 15.278 5.125 ( 8.407 -1.206 -10.281) 13.336 5.632 ( 10.204 13.341 -18.408) 24.918 6.427 ( 0.051 -0.720 10.005) 10.031 6.573 ( 9.696 4.593 6.963) 12.790 7.233 ( -6.599 -9.960 10.825) 16.123 7.987 ( -15.349 -3.016 2.735) 15.880 10.106 ( 5.284 0.078 4.344) 6.841 10.320 ( 2.059 10.930 1.670) 11.247 11.875 ( 4.121 6.316 -0.625) 7.567 11.898 ( 0.438 4.655 -1.184) 4.823 12.022 ( 2.226 1.084 -3.326) 4.147 12.117 ( 0.625 2.093 -3.237) 3.905 31.887 ( 0.287 -1.312 0.655) 1.494 31.998 ( 0.216 2.929 -2.345) 3.758 32.028 ( -1.218 -0.959 -0.592) 1.660 32.058 ( 0.485 -0.256 -0.498) 0.741 32.932 ( -1.385 -2.617 0.463) 2.997 33.042 ( -1.738 -2.615 2.220) 3.846 36.288 ( 0.243 0.033 -0.188) 0.309 36.296 ( 0.069 0.492 -0.175) 0.527 36.435 ( -0.360 -0.242 0.075) 0.440 36.450 ( 0.506 -0.170 0.233) 0.582 68.858 ( -0.471 -0.660 0.446) 0.925 68.916 ( -0.720 -1.646 -0.293) 1.820 70.132 ( -0.232 0.460 -0.150) 0.537 70.275 ( 0.653 -0.005 -0.059) 0.655 70.355 ( 5.249 3.862 -1.455) 6.677 70.554 ( 4.122 11.965 -8.804) 15.416 71.862 ( -3.972 -6.438 7.743) 10.825 72.114 ( -1.926 -3.115 -0.104) 3.664 ======================= Grid point 386 (134/231) ======================= q-point: ( 0.38 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 12.132 19.370 -4.266) 23.251 1.792 ( 4.706 15.361 18.971) 24.860 2.885 ( 1.066 -2.249 -18.355) 18.523 3.068 ( 2.607 1.562 -5.981) 6.708 3.378 ( 19.034 23.301 21.271) 36.847 4.495 ( 5.212 -3.718 -6.042) 8.803 5.189 ( 2.105 3.613 -10.277) 11.096 5.850 ( 11.557 3.214 -13.443) 18.017 6.420 ( 2.088 -12.389 8.502) 15.170 6.800 ( 3.726 3.390 -0.408) 5.053 7.073 ( -2.143 -3.527 11.305) 12.034 7.704 ( -17.408 2.766 1.558) 17.695 10.226 ( 4.144 3.069 4.367) 6.757 10.501 ( 7.749 8.607 1.079) 11.632 11.903 ( -1.408 1.454 -2.726) 3.395 12.035 ( 6.825 5.988 -0.738) 9.109 12.135 ( 5.678 5.302 -0.914) 7.822 12.139 ( 1.530 3.758 -1.860) 4.463 31.877 ( -0.165 -1.505 0.581) 1.622 31.990 ( -1.550 -1.189 -0.527) 2.023 32.013 ( -0.130 1.634 -1.745) 2.394 32.060 ( 0.257 -0.203 -0.341) 0.473 32.888 ( -1.225 -1.805 0.490) 2.236 32.989 ( -2.404 -2.312 1.333) 3.592 36.294 ( 0.373 0.128 -0.134) 0.416 36.303 ( 0.227 0.533 -0.157) 0.600 36.425 ( -0.516 -0.303 0.074) 0.603 36.456 ( 0.273 -0.379 0.309) 0.560 68.843 ( -0.683 -0.632 0.348) 0.993 68.888 ( -0.793 -1.236 -0.465) 1.540 70.134 ( -0.129 0.682 -0.110) 0.703 70.286 ( 0.824 -0.428 0.215) 0.953 70.493 ( 6.354 4.534 -0.774) 7.844 70.697 ( 4.729 8.165 -8.296) 12.564 71.771 ( -3.827 -4.189 7.171) 9.145 72.033 ( -3.435 -3.740 -0.187) 5.082 ======================= Grid point 387 (135/231) ======================= q-point: ( 0.46 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 15.610 16.469 -14.257) 26.799 2.081 ( 4.697 13.988 14.324) 20.565 2.841 ( 5.009 -2.112 -15.957) 16.857 3.095 ( 0.088 4.470 -4.716) 6.499 3.920 ( 12.562 13.412 14.145) 23.190 4.564 ( 7.140 -3.514 3.039) 8.518 5.202 ( -1.557 6.376 -9.778) 11.776 5.940 ( 1.635 -3.372 -3.455) 5.097 6.317 ( 2.001 -17.779 -0.921) 17.915 6.718 ( -4.696 -1.771 1.727) 5.308 7.228 ( 3.825 9.368 -0.328) 10.124 7.507 ( -7.510 2.168 5.685) 9.665 10.318 ( -0.583 6.273 2.450) 6.760 10.765 ( 14.232 5.352 0.767) 15.224 11.886 ( -0.924 1.030 -0.918) 1.661 12.113 ( -0.037 0.171 -1.207) 1.219 12.270 ( 7.425 8.061 -0.183) 10.961 12.323 ( 7.745 6.520 -0.527) 10.137 31.857 ( -0.563 -1.492 0.279) 1.619 31.950 ( -1.560 -1.179 -0.167) 1.963 32.016 ( -0.276 0.982 -1.182) 1.562 32.061 ( 0.117 -0.190 -0.074) 0.235 32.860 ( -0.635 -1.122 0.402) 1.350 32.927 ( -2.659 -2.069 0.538) 3.412 36.301 ( 0.267 0.309 -0.128) 0.428 36.314 ( 0.572 0.456 -0.114) 0.740 36.413 ( -0.591 -0.320 0.116) 0.682 36.453 ( -0.161 -0.593 0.296) 0.682 68.827 ( -0.560 -0.463 0.256) 0.770 68.862 ( -0.727 -0.952 -0.426) 1.271 70.141 ( 0.187 0.701 -0.077) 0.730 70.295 ( 0.420 -0.256 0.189) 0.527 70.648 ( 6.661 4.564 -0.794) 8.114 70.815 ( 4.323 5.739 -6.079) 9.411 71.698 ( -3.481 -3.058 5.423) 7.133 71.929 ( -3.979 -3.934 -0.104) 5.596 ======================= Grid point 388 (136/231) ======================= q-point: ( 0.54 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 16.685 12.245 -19.115) 28.173 2.336 ( 4.112 12.766 10.978) 17.331 2.884 ( 7.154 -3.364 -8.888) 11.895 3.141 ( 0.388 9.557 -4.957) 10.773 4.145 ( 0.583 2.317 6.952) 7.351 4.650 ( 3.805 -5.675 9.689) 11.855 5.193 ( -2.501 6.203 -9.098) 11.292 5.860 ( -1.130 -6.691 0.301) 6.792 6.136 ( -6.341 -8.732 -5.161) 11.962 6.728 ( 6.046 -1.362 0.528) 6.220 7.241 ( -8.263 9.584 -3.648) 13.170 7.577 ( 7.068 -0.300 6.753) 9.781 10.348 ( -3.947 7.261 -0.765) 8.300 11.078 ( 16.458 3.451 0.533) 16.824 11.886 ( -0.088 0.208 1.723) 1.738 12.085 ( -3.003 0.252 -0.180) 3.018 12.470 ( 7.237 5.922 -0.039) 9.352 12.507 ( 6.867 5.120 -0.451) 8.577 31.832 ( -0.690 -1.303 -0.143) 1.481 31.916 ( -1.191 -0.957 0.243) 1.548 32.016 ( -0.209 0.698 -0.742) 1.040 32.060 ( -0.000 -0.163 0.178) 0.241 32.846 ( -0.291 -0.776 0.754) 1.120 32.867 ( -2.150 -1.475 -0.382) 2.636 36.307 ( 0.091 0.399 -0.205) 0.457 36.330 ( 0.884 0.419 -0.042) 0.980 36.401 ( -0.501 -0.276 0.208) 0.609 36.441 ( -0.586 -0.767 0.205) 0.987 68.818 ( -0.238 -0.261 0.222) 0.418 68.841 ( -0.603 -0.731 -0.304) 0.995 70.153 ( 0.475 0.557 -0.077) 0.736 70.297 ( -0.093 0.023 0.145) 0.174 70.796 ( 5.962 3.960 -1.978) 7.426 70.914 ( 3.720 4.168 -2.986) 6.334 71.625 ( -3.975 -2.551 3.145) 5.674 71.831 ( -2.970 -3.538 0.446) 4.641 ======================= Grid point 389 (137/231) ======================= q-point: ( 0.62 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 16.231 8.434 -18.586) 26.077 2.549 ( 2.557 10.697 8.133) 13.679 2.902 ( 1.217 -3.092 -2.237) 4.005 3.277 ( 5.740 10.804 -8.596) 14.952 4.081 ( -7.749 -3.747 4.415) 9.674 4.635 ( -2.540 -8.379 14.856) 17.244 5.178 ( -0.610 3.990 -9.477) 10.301 5.809 ( -0.193 -4.006 -4.594) 6.099 5.935 ( -5.554 -2.630 -4.798) 7.797 6.830 ( 2.826 2.661 1.051) 4.022 7.198 ( -2.517 2.926 -0.140) 3.862 7.702 ( 5.363 -0.075 3.532) 6.422 10.326 ( -5.827 7.243 -3.590) 9.965 11.379 ( 15.109 2.063 0.135) 15.249 11.876 ( -1.301 -4.552 3.080) 5.648 12.031 ( -4.398 3.430 1.438) 5.760 12.616 ( 4.474 2.764 0.049) 5.259 12.641 ( 4.207 2.742 -0.362) 5.035 31.810 ( -0.473 -0.944 -0.462) 1.152 31.894 ( -0.537 -0.614 0.522) 0.969 32.018 ( 0.028 0.606 -0.435) 0.747 32.059 ( -0.096 -0.102 0.332) 0.361 32.815 ( -1.699 -1.005 0.263) 1.992 32.849 ( 0.454 -0.297 -0.173) 0.570 36.310 ( -0.096 0.363 -0.317) 0.492 36.351 ( 1.018 0.415 0.038) 1.100 36.393 ( -0.232 -0.157 0.327) 0.430 36.421 ( -0.857 -0.848 0.075) 1.208 68.816 ( 0.114 -0.101 0.195) 0.248 68.825 ( -0.417 -0.528 -0.162) 0.692 70.166 ( 0.512 0.243 -0.095) 0.575 70.294 ( -0.420 0.330 0.125) 0.549 70.899 ( 3.194 2.523 -3.747) 5.533 71.006 ( 3.627 3.096 0.127) 4.771 71.538 ( -4.172 -1.963 1.221) 4.770 71.768 ( -1.050 -2.663 1.021) 3.040 ======================= Grid point 390 (138/231) ======================= q-point: (-0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 5.188 2.333 -0.900) 5.760 2.662 ( 3.779 4.768 -9.603) 11.368 2.903 ( 0.322 4.884 0.811) 4.961 3.413 ( 3.466 4.919 -11.705) 13.161 3.929 ( -5.856 -2.957 4.576) 7.998 4.529 ( -7.158 -7.932 18.233) 21.133 5.184 ( 2.218 1.562 -9.707) 10.079 5.684 ( -6.471 1.456 -10.194) 12.162 5.911 ( 4.126 -2.158 -2.630) 5.347 6.850 ( -5.394 5.594 0.462) 7.784 7.210 ( 2.384 -2.157 2.062) 3.819 7.794 ( 4.405 -0.458 3.138) 5.428 10.273 ( -6.607 7.109 -4.970) 10.904 11.618 ( 9.949 0.505 -1.017) 10.014 11.747 ( -5.327 -8.861 3.234) 10.833 12.039 ( -1.735 5.491 3.470) 6.724 12.669 ( 0.169 -0.171 0.069) 0.250 12.693 ( 0.330 -0.036 -0.243) 0.412 31.796 ( -0.002 -0.493 -0.590) 0.769 31.890 ( 0.282 -0.230 0.608) 0.709 32.026 ( 0.301 0.546 -0.282) 0.685 32.058 ( -0.082 0.024 0.428) 0.436 32.788 ( -0.743 -0.296 -0.091) 0.805 32.858 ( 0.850 -0.127 0.085) 0.863 36.309 ( -0.267 0.285 -0.381) 0.546 36.371 ( 0.750 0.269 0.245) 0.833 36.393 ( 0.064 -0.068 0.358) 0.369 36.398 ( -0.659 -0.657 -0.151) 0.942 68.815 ( -0.176 -0.322 -0.017) 0.368 68.821 ( 0.433 0.011 0.115) 0.449 70.172 ( 0.195 -0.138 -0.094) 0.256 70.292 ( -0.406 0.559 0.115) 0.700 70.919 ( -1.098 0.608 -3.333) 3.562 71.091 ( 2.972 1.826 0.354) 3.506 71.469 ( -2.413 -0.689 0.501) 2.559 71.749 ( 0.797 -1.538 1.085) 2.044 ======================= Grid point 391 (139/231) ======================= q-point: (-0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -11.328 -4.484 9.161) 15.243 2.768 ( 4.995 1.902 -17.455) 18.255 2.992 ( 0.183 8.211 1.568) 8.361 3.391 ( -1.616 -0.829 -11.934) 12.072 3.878 ( -0.153 -0.795 2.867) 2.979 4.378 ( -10.902 -6.746 17.356) 21.577 5.207 ( 4.012 0.008 -9.104) 9.948 5.601 ( -3.211 7.091 -8.936) 11.850 5.971 ( 7.198 -2.825 -3.942) 8.679 6.783 ( -8.546 5.880 0.734) 10.400 7.222 ( 0.649 -2.982 0.797) 3.155 7.870 ( 4.129 -2.079 5.216) 6.969 10.210 ( -6.578 7.034 -4.736) 10.732 11.472 ( -11.444 -10.265 1.367) 15.433 11.814 ( 8.511 -0.983 0.579) 8.587 12.082 ( -0.968 4.526 3.333) 5.703 12.619 ( -4.631 -2.156 0.065) 5.108 12.649 ( -3.891 -2.424 -0.182) 4.588 31.796 ( 0.531 -0.056 -0.568) 0.780 31.904 ( 1.118 0.099 0.559) 1.254 32.036 ( 0.417 0.403 -0.350) 0.678 32.061 ( 0.143 0.206 0.534) 0.590 32.783 ( 0.214 0.270 -0.169) 0.384 32.876 ( 1.211 0.025 0.197) 1.227 36.304 ( -0.340 0.230 -0.360) 0.546 36.366 ( -0.912 -0.656 0.285) 1.159 36.398 ( 0.799 0.174 -0.068) 0.821 36.400 ( 0.417 0.159 0.169) 0.477 68.812 ( 0.090 -0.144 0.085) 0.190 68.832 ( 0.723 0.117 -0.004) 0.732 70.169 ( -0.260 -0.314 -0.051) 0.411 70.292 ( -0.206 0.466 0.096) 0.518 70.853 ( -4.829 -0.827 -2.457) 5.481 71.138 ( 1.237 0.381 -1.028) 1.653 71.448 ( -0.419 0.304 1.230) 1.335 71.776 ( 2.859 -0.148 0.921) 3.007 ======================= Grid point 392 (140/231) ======================= q-point: (-0.15 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -15.760 -6.261 9.439) 19.408 2.651 ( -11.855 -3.888 -12.619) 17.745 3.067 ( 0.149 6.412 -0.783) 6.462 3.303 ( -0.721 -1.543 -14.199) 14.301 3.913 ( -1.878 -0.619 6.864) 7.143 4.134 ( -11.886 -6.592 11.324) 17.691 5.259 ( 3.597 2.813 -8.381) 9.544 5.651 ( 3.268 8.772 -6.718) 11.522 6.070 ( 9.912 -4.059 -4.084) 11.464 6.701 ( -8.685 6.993 2.037) 11.335 7.166 ( -3.732 -2.857 -2.251) 5.211 7.930 ( 3.649 -4.617 8.147) 10.050 10.155 ( -6.089 6.788 -3.280) 9.691 11.155 ( -13.481 -11.196 1.910) 17.628 11.924 ( 5.659 -1.160 -0.385) 5.789 12.112 ( -1.184 3.085 2.221) 3.981 12.477 ( -8.619 -3.027 0.088) 9.136 12.519 ( -7.338 -3.694 -0.239) 8.219 31.808 ( 0.956 0.289 -0.434) 1.089 31.933 ( 1.781 0.273 0.420) 1.850 32.044 ( 0.300 0.283 -0.465) 0.621 32.071 ( 0.504 0.237 0.398) 0.684 32.797 ( 0.972 0.603 -0.043) 1.144 32.902 ( 1.575 0.163 0.281) 1.609 36.300 ( -0.323 0.204 -0.297) 0.484 36.345 ( -0.895 -0.611 0.110) 1.090 36.410 ( 0.469 0.214 0.263) 0.579 36.414 ( 0.742 0.178 -0.067) 0.766 68.816 ( 0.381 0.012 0.151) 0.410 68.848 ( 0.963 0.208 -0.163) 0.998 70.159 ( -0.514 -0.197 0.005) 0.550 70.293 ( -0.105 0.002 0.082) 0.133 70.733 ( -6.803 -1.163 -1.878) 7.153 71.131 ( -0.732 -0.693 -3.933) 4.060 71.463 ( 0.486 0.464 3.983) 4.039 71.847 ( 4.551 0.906 0.579) 4.676 ======================= Grid point 398 (141/231) ======================= q-point: ( 0.31 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -0.000 19.293 8.821) 21.213 1.730 ( 0.000 16.988 24.725) 29.999 2.761 ( -0.000 20.179 9.240) 22.194 2.978 ( -0.000 -0.320 -10.759) 10.764 3.102 ( -0.000 13.060 -2.021) 13.215 4.400 ( -0.000 -4.053 -11.537) 12.228 4.956 ( -0.000 -1.906 -9.683) 9.869 5.677 ( -0.000 16.658 -13.021) 21.143 6.441 ( 0.000 -7.303 8.242) 11.012 6.545 ( 0.000 4.807 8.644) 9.891 7.220 ( 0.000 -11.530 9.879) 15.183 8.102 ( -0.000 -0.746 -2.516) 2.624 10.067 ( 0.000 -0.369 4.288) 4.304 10.440 ( -0.000 13.307 2.074) 13.468 11.906 ( -0.000 7.517 -0.835) 7.563 11.967 ( -0.000 8.426 -0.095) 8.427 11.985 ( -0.000 -0.342 -3.243) 3.261 12.125 ( -0.000 3.323 -3.679) 4.958 31.874 ( 0.000 -1.330 0.632) 1.473 32.016 ( -0.000 2.169 -2.129) 3.039 32.029 ( 0.000 -1.360 -0.452) 1.433 32.047 ( -0.000 0.253 -0.528) 0.585 32.916 ( 0.000 -2.954 0.459) 2.989 33.036 ( 0.000 -3.021 1.785) 3.509 36.286 ( -0.000 0.064 -0.167) 0.179 36.300 ( -0.000 0.628 -0.170) 0.651 36.437 ( 0.000 -0.349 0.061) 0.354 36.444 ( 0.000 -0.161 0.342) 0.378 68.857 ( 0.000 -0.790 0.497) 0.934 68.903 ( 0.000 -1.802 -0.426) 1.852 70.135 ( -0.000 0.200 -0.163) 0.258 70.291 ( 0.000 0.322 0.337) 0.466 70.333 ( -0.000 5.926 -1.933) 6.233 70.613 ( -0.000 11.574 -7.305) 13.686 71.854 ( 0.000 -6.796 6.782) 9.601 72.096 ( 0.000 -3.895 -0.107) 3.896 ======================= Grid point 399 (142/231) ======================= q-point: ( 0.38 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 1.904 21.167 0.553) 21.260 1.994 ( 0.892 17.321 20.770) 27.060 2.781 ( -0.757 -2.975 -19.934) 20.169 2.988 ( 4.806 1.290 -9.133) 10.400 3.473 ( 9.209 28.896 19.675) 36.151 4.363 ( 3.002 -2.064 -5.408) 6.520 5.024 ( 11.931 -1.445 -9.246) 15.163 5.771 ( -0.208 11.115 -9.793) 14.816 6.341 ( -2.622 -14.348 7.354) 16.335 6.712 ( 8.739 4.051 5.232) 10.962 7.111 ( -3.424 -8.384 8.667) 12.535 7.989 ( -11.287 2.451 -3.970) 12.214 10.142 ( 7.018 0.069 4.167) 8.163 10.575 ( -0.747 13.565 1.462) 13.664 11.945 ( -2.296 1.485 -1.576) 3.156 12.007 ( 3.345 6.543 -1.533) 7.507 12.104 ( 4.579 8.197 -0.284) 9.393 12.158 ( 0.755 5.337 -2.680) 6.020 31.863 ( 0.074 -1.571 0.584) 1.677 31.999 ( -1.182 -1.308 -0.613) 1.866 32.025 ( -0.004 1.014 -1.423) 1.747 32.053 ( 0.209 0.365 -0.483) 0.640 32.885 ( -0.601 -2.419 0.484) 2.539 33.001 ( -1.304 -2.899 1.151) 3.381 36.288 ( 0.280 0.114 -0.107) 0.321 36.306 ( 0.023 0.709 -0.169) 0.729 36.430 ( -0.344 -0.353 0.085) 0.500 36.447 ( 0.348 -0.377 0.351) 0.622 68.847 ( -0.414 -0.773 0.452) 0.987 68.882 ( -0.343 -1.478 -0.541) 1.611 70.140 ( 0.202 0.382 -0.141) 0.455 70.283 ( -0.585 0.568 0.194) 0.838 70.438 ( 4.916 5.649 -1.282) 7.597 70.707 ( 1.613 9.499 -6.511) 11.629 71.797 ( -1.916 -5.552 6.096) 8.465 72.038 ( -1.886 -4.404 -0.166) 4.794 ======================= Grid point 400 (143/231) ======================= q-point: ( 0.46 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 5.628 18.188 -9.254) 21.169 2.249 ( 1.151 16.566 15.564) 22.760 2.687 ( 2.721 -2.268 -17.332) 17.691 3.070 ( 5.313 3.750 -7.050) 9.591 3.949 ( 8.474 19.086 13.425) 24.826 4.419 ( 6.233 -1.270 1.517) 6.540 5.190 ( 8.658 2.816 -7.212) 11.615 5.833 ( 3.255 2.095 -5.606) 6.813 6.138 ( -3.104 -18.553 3.511) 19.136 6.782 ( -3.857 -3.149 -0.349) 4.991 7.159 ( 9.596 2.874 8.230) 12.964 7.777 ( -14.828 4.080 -3.130) 15.695 10.321 ( 9.501 2.829 3.824) 10.625 10.693 ( 0.722 10.808 -0.303) 10.836 11.920 ( -1.795 1.170 0.246) 2.157 12.096 ( 2.177 2.289 -2.541) 4.054 12.259 ( 3.883 8.950 -0.360) 9.763 12.278 ( 5.732 8.428 -0.479) 10.204 31.848 ( -0.191 -1.703 0.382) 1.756 31.962 ( -1.380 -1.347 -0.321) 1.955 32.028 ( -0.215 0.756 -0.980) 1.256 32.056 ( 0.100 0.113 -0.290) 0.327 32.856 ( -0.456 -1.676 0.414) 1.786 32.947 ( -2.042 -2.590 0.529) 3.340 36.297 ( 0.498 0.220 -0.044) 0.547 36.313 ( 0.076 0.700 -0.182) 0.728 36.420 ( -0.502 -0.359 0.126) 0.630 36.448 ( 0.142 -0.642 0.294) 0.721 68.833 ( -0.547 -0.613 0.345) 0.891 68.860 ( -0.447 -1.139 -0.496) 1.321 70.146 ( 0.082 0.538 -0.068) 0.548 70.287 ( 0.296 0.312 0.203) 0.475 70.583 ( 5.953 5.397 -1.194) 8.124 70.803 ( 2.383 7.425 -4.989) 9.258 71.733 ( -2.346 -4.352 4.958) 7.003 71.947 ( -3.220 -4.619 -0.241) 5.636 ======================= Grid point 401 (144/231) ======================= q-point: ( 0.54 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 9.805 12.921 -15.911) 22.721 2.475 ( 1.712 14.478 9.992) 17.674 2.711 ( 6.038 0.781 -8.463) 10.425 3.183 ( 3.862 7.720 -5.080) 10.016 4.187 ( 1.722 5.271 5.836) 8.050 4.535 ( 5.743 -2.458 5.846) 8.555 5.284 ( -0.866 6.748 -5.329) 8.642 5.805 ( -1.785 -9.840 2.059) 10.210 6.013 ( 5.838 -9.949 -3.582) 12.079 6.678 ( -2.347 0.224 -3.055) 3.859 7.404 ( 9.097 5.120 4.351) 11.309 7.563 ( -12.282 1.728 -0.222) 12.405 10.494 ( 0.717 9.471 1.347) 9.593 10.848 ( 10.486 3.779 -0.831) 11.177 11.906 ( -1.235 -0.260 2.202) 2.538 12.122 ( -0.306 2.038 -1.568) 2.590 12.426 ( 5.382 7.454 -0.162) 9.195 12.454 ( 5.851 6.817 -0.247) 8.987 31.827 ( -0.434 -1.603 0.053) 1.661 31.926 ( -1.215 -1.180 0.035) 1.694 32.026 ( -0.349 0.627 -0.635) 0.958 32.058 ( 0.130 -0.009 -0.021) 0.132 32.840 ( -0.038 -1.094 0.362) 1.153 32.888 ( -2.215 -2.032 0.056) 3.006 36.308 ( 0.404 0.449 -0.065) 0.607 36.322 ( 0.377 0.535 -0.145) 0.670 36.408 ( -0.533 -0.345 0.189) 0.663 36.440 ( -0.243 -0.858 0.194) 0.913 68.821 ( -0.384 -0.412 0.265) 0.622 68.841 ( -0.443 -0.878 -0.364) 1.049 70.153 ( 0.164 0.477 -0.027) 0.505 70.297 ( 0.309 0.376 0.150) 0.509 70.730 ( 5.769 4.835 -1.715) 7.720 70.896 ( 2.727 5.598 -2.848) 6.847 71.668 ( -2.763 -3.332 3.386) 5.496 71.843 ( -3.282 -4.568 -0.067) 5.625 ======================= Grid point 402 (145/231) ======================= q-point: ( 0.62 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 13.394 9.204 -16.886) 23.436 2.655 ( 2.452 7.883 3.853) 9.111 2.818 ( 4.335 5.211 1.038) 6.857 3.309 ( 2.383 10.654 -5.593) 12.267 4.188 ( -5.580 -1.232 3.295) 6.596 4.570 ( 2.894 -9.142 8.002) 12.490 5.259 ( -5.545 5.075 -5.477) 9.301 5.726 ( 1.939 -6.554 1.752) 7.055 5.968 ( -1.935 -3.755 -6.822) 8.024 6.740 ( 7.548 3.611 -1.599) 8.518 7.369 ( -11.382 2.990 -0.707) 11.789 7.602 ( 7.632 0.014 4.501) 8.860 10.536 ( -7.409 12.762 -2.645) 14.992 11.110 ( 16.830 0.025 0.516) 16.838 11.874 ( -1.909 -3.896 2.931) 5.236 12.125 ( -1.997 3.695 0.242) 4.207 12.569 ( 4.542 4.016 -0.104) 6.064 12.598 ( 4.468 4.143 -0.225) 6.098 31.805 ( -0.409 -1.274 -0.239) 1.359 31.899 ( -0.760 -0.904 0.318) 1.223 32.025 ( -0.219 0.567 -0.428) 0.743 32.060 ( 0.051 -0.002 0.211) 0.217 32.834 ( -0.821 -1.224 0.868) 1.710 32.838 ( -0.646 -0.794 -0.744) 1.265 36.316 ( -0.071 0.653 -0.244) 0.701 36.338 ( 0.917 0.333 0.020) 0.976 36.397 ( -0.365 -0.282 0.264) 0.531 36.424 ( -0.601 -0.977 0.087) 1.150 68.814 ( -0.074 -0.261 0.213) 0.345 68.825 ( -0.355 -0.660 -0.217) 0.780 70.161 ( 0.304 0.225 -0.038) 0.380 70.304 ( -0.085 0.629 0.097) 0.642 70.853 ( 4.274 3.905 -2.581) 6.339 70.984 ( 2.865 3.925 -0.707) 4.910 71.594 ( -3.811 -2.200 1.526) 4.658 71.757 ( -1.527 -4.217 0.596) 4.524 ======================= Grid point 403 (146/231) ======================= q-point: ( 0.69 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 13.905 7.028 -16.124) 22.421 2.716 ( -0.379 -0.800 0.792) 1.188 2.965 ( 1.598 10.307 7.507) 12.851 3.409 ( 0.421 8.643 -9.106) 12.562 4.038 ( -8.777 -2.851 1.992) 9.440 4.551 ( 1.694 -10.359 12.874) 16.611 5.187 ( -4.247 2.604 -5.855) 7.688 5.720 ( 1.629 -3.162 -0.449) 3.585 5.868 ( -3.619 2.127 -9.571) 10.451 6.919 ( 6.176 5.936 -0.239) 8.569 7.218 ( -6.704 -1.773 1.118) 7.024 7.717 ( 4.756 -0.700 3.031) 5.683 10.499 ( -9.706 13.021 -4.436) 16.836 11.391 ( 15.437 -0.659 0.753) 15.469 11.767 ( -5.038 -8.280 2.649) 10.048 12.137 ( -2.044 4.875 1.893) 5.615 12.652 ( 2.105 1.003 0.016) 2.332 12.677 ( 1.829 1.064 -0.292) 2.136 31.788 ( -0.085 -0.804 -0.382) 0.894 31.886 ( -0.087 -0.592 0.441) 0.744 32.027 ( 0.027 0.522 -0.335) 0.620 32.061 ( -0.025 0.061 0.350) 0.356 32.800 ( -1.161 -0.513 -0.083) 1.272 32.841 ( 0.801 -0.527 0.089) 0.962 36.317 ( -0.355 0.618 -0.343) 0.791 36.358 ( 1.078 0.288 0.144) 1.125 36.393 ( -0.063 -0.191 0.283) 0.347 36.403 ( -0.773 -0.954 0.004) 1.227 68.814 ( -0.070 -0.357 -0.000) 0.363 68.815 ( 0.142 -0.264 0.065) 0.307 70.166 ( 0.272 -0.087 -0.062) 0.292 70.307 ( -0.440 0.825 0.070) 0.937 70.923 ( 1.072 2.517 -2.649) 3.808 71.063 ( 2.716 2.278 0.044) 3.545 71.516 ( -3.581 -0.846 0.457) 3.708 71.716 ( 0.653 -3.321 1.001) 3.529 ======================= Grid point 404 (147/231) ======================= q-point: (-0.23 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 10.472 5.383 -16.779) 20.499 2.644 ( -6.224 -3.632 3.742) 8.120 3.108 ( -0.372 9.280 7.242) 11.777 3.400 ( -3.876 3.757 -11.280) 12.505 3.904 ( -3.993 -2.451 1.752) 5.002 4.509 ( -3.346 -7.383 15.300) 17.315 5.137 ( -0.230 0.660 -5.411) 5.456 5.715 ( -1.654 4.894 -2.789) 5.870 5.830 ( 1.526 0.089 -8.776) 8.908 6.988 ( -6.690 7.338 -1.430) 10.033 7.158 ( 3.103 -3.764 2.285) 5.387 7.783 ( 4.057 -3.178 3.156) 6.043 10.439 ( -10.140 12.803 -4.252) 16.876 11.533 ( -5.711 -9.362 -0.864) 11.000 11.645 ( 8.653 -2.804 3.819) 9.865 12.159 ( -1.660 4.129 2.098) 4.920 12.658 ( -1.577 -0.866 0.126) 1.803 12.676 ( -1.650 -1.277 -0.376) 2.120 31.784 ( 0.401 -0.311 -0.378) 0.633 31.888 ( 0.705 -0.322 0.428) 0.885 32.033 ( 0.226 0.434 -0.338) 0.595 32.063 ( 0.034 0.111 0.382) 0.400 32.785 ( -0.316 0.134 -0.060) 0.349 32.854 ( 1.191 -0.412 0.065) 1.262 36.314 ( -0.498 0.529 -0.330) 0.798 36.375 ( -0.454 -0.429 0.384) 0.733 36.383 ( 0.641 -0.215 -0.263) 0.726 36.396 ( 0.275 -0.038 0.284) 0.398 68.809 ( 0.028 -0.271 0.038) 0.275 68.821 ( 0.576 -0.086 0.032) 0.584 70.167 ( 0.050 -0.266 -0.068) 0.279 70.306 ( -0.603 0.735 0.072) 0.954 70.915 ( -3.018 1.089 -1.979) 3.770 71.114 ( 1.601 0.641 -0.873) 1.932 71.472 ( -1.514 0.416 0.843) 1.782 71.722 ( 2.635 -1.926 0.886) 3.382 ======================= Grid point 405 (148/231) ======================= q-point: (-0.15 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -11.806 -4.401 4.903) 13.520 2.685 ( 0.794 2.604 -14.583) 14.834 3.145 ( -3.275 1.910 -3.259) 4.999 3.311 ( -5.822 4.993 -7.507) 10.732 3.891 ( 3.270 -0.009 4.902) 5.893 4.366 ( -12.247 -7.231 14.213) 20.107 5.178 ( 5.028 2.633 -1.967) 6.007 5.743 ( -3.672 12.517 -7.852) 15.225 5.854 ( 7.879 -5.253 -4.004) 10.282 6.902 ( -7.435 3.219 -0.189) 8.104 7.186 ( -0.549 1.468 -0.541) 1.658 7.820 ( 4.383 -6.926 4.232) 9.224 10.377 ( -9.861 11.995 -2.661) 15.754 11.257 ( -11.323 -12.042 0.897) 16.554 11.799 ( 8.005 -1.095 1.358) 8.193 12.171 ( -1.595 2.420 1.304) 3.178 12.583 ( -5.864 -1.334 0.135) 6.015 12.596 ( -5.253 -2.390 -0.405) 5.785 31.793 ( 0.875 0.111 -0.260) 0.920 31.906 ( 1.457 -0.178 0.314) 1.501 32.040 ( 0.280 0.342 -0.379) 0.583 32.068 ( 0.234 0.014 0.221) 0.323 32.790 ( 0.479 0.496 0.109) 0.698 32.874 ( 1.590 -0.305 0.019) 1.620 36.309 ( -0.519 0.450 -0.260) 0.734 36.354 ( -0.876 -0.686 0.017) 1.113 36.400 ( 0.837 0.030 -0.039) 0.839 36.405 ( 0.594 0.164 0.380) 0.724 68.810 ( 0.278 -0.125 0.115) 0.326 68.833 ( 0.848 -0.004 -0.106) 0.854 70.163 ( -0.198 -0.208 -0.054) 0.292 70.301 ( -0.644 0.318 0.093) 0.724 70.836 ( -6.070 0.521 -1.414) 6.254 71.120 ( -0.175 -0.510 -3.000) 3.048 71.475 ( 0.226 0.736 2.828) 2.930 71.774 ( 4.451 -0.604 0.496) 4.519 ======================= Grid point 412 (149/231) ======================= q-point: ( 0.38 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -0.000 19.881 -1.788) 19.961 2.229 ( 0.000 15.977 19.467) 25.184 2.687 ( -0.000 -3.008 -21.736) 21.943 2.903 ( -0.000 1.116 -10.543) 10.602 3.764 ( 0.000 29.353 17.608) 34.229 4.323 ( -0.000 0.733 -0.140) 0.747 4.851 ( -0.000 -1.723 -8.252) 8.430 5.872 ( -0.000 9.015 -4.600) 10.120 6.234 ( 0.000 -17.370 4.381) 17.914 6.694 ( 0.000 4.054 6.980) 8.072 7.085 ( 0.000 -6.986 5.367) 8.809 8.081 ( -0.000 1.185 -6.790) 6.892 10.086 ( 0.000 -1.008 4.197) 4.317 10.739 ( -0.000 15.486 1.005) 15.519 11.974 ( -0.000 0.554 -0.319) 0.639 12.028 ( -0.000 4.910 -2.502) 5.511 12.158 ( -0.000 10.719 -0.048) 10.719 12.207 ( -0.000 8.109 -2.154) 8.390 31.850 ( 0.000 -1.559 0.628) 1.681 31.995 ( 0.000 -1.693 -0.396) 1.739 32.021 ( -0.000 0.180 -1.339) 1.351 32.059 ( -0.000 0.960 -0.538) 1.101 32.867 ( 0.000 -2.356 0.543) 2.418 32.985 ( 0.000 -3.088 0.678) 3.162 36.287 ( -0.000 0.124 -0.050) 0.134 36.313 ( -0.000 0.832 -0.180) 0.851 36.429 ( 0.000 -0.462 -0.018) 0.462 36.442 ( 0.000 -0.338 0.512) 0.614 68.845 ( 0.000 -0.792 0.472) 0.922 68.868 ( 0.000 -1.321 -0.589) 1.446 70.139 ( -0.000 0.392 -0.206) 0.443 70.298 ( 0.000 0.148 0.241) 0.283 70.452 ( -0.000 7.139 -0.812) 7.185 70.763 ( -0.000 8.757 -5.519) 10.351 71.777 ( 0.000 -5.862 5.009) 7.711 72.009 ( 0.000 -4.672 -0.133) 4.674 ======================= Grid point 413 (150/231) ======================= q-point: ( 0.46 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -0.513 15.114 -9.024) 17.610 2.449 ( 0.251 14.349 13.201) 19.499 2.591 ( 0.452 1.390 -14.332) 14.406 2.952 ( 7.170 2.617 -8.825) 11.668 4.095 ( 2.225 17.555 9.128) 19.911 4.379 ( 2.033 5.968 6.764) 9.247 4.939 ( 13.938 -0.870 -5.878) 15.152 5.880 ( -3.933 1.279 1.421) 4.373 6.036 ( -3.642 -16.918 0.514) 17.314 6.784 ( 1.457 0.668 2.412) 2.896 7.076 ( 4.118 -0.241 4.761) 6.300 7.987 ( -8.236 1.027 -6.706) 10.670 10.166 ( 8.621 -0.807 4.031) 9.551 10.867 ( -3.199 15.293 -0.333) 15.628 11.964 ( -1.743 0.555 1.166) 2.169 12.075 ( 1.929 2.904 -3.211) 4.740 12.292 ( 2.928 10.219 0.139) 10.632 12.305 ( 1.685 9.878 -1.164) 10.088 31.836 ( -0.103 -1.606 0.538) 1.697 31.967 ( -0.975 -1.529 -0.384) 1.854 32.023 ( 0.503 -0.032 -0.925) 1.053 32.062 ( -0.305 0.637 -0.388) 0.806 32.846 ( -0.193 -1.843 0.578) 1.941 32.948 ( -1.023 -2.872 0.172) 3.053 36.291 ( 0.331 0.163 0.023) 0.370 36.321 ( -0.047 0.889 -0.207) 0.914 36.422 ( -0.231 -0.456 0.003) 0.511 36.441 ( 0.073 -0.556 0.462) 0.727 68.836 ( -0.338 -0.676 0.396) 0.854 68.852 ( -0.206 -1.037 -0.532) 1.183 70.146 ( 0.312 0.433 -0.161) 0.557 70.294 ( -0.432 0.341 0.202) 0.586 70.555 ( 3.611 6.687 -0.483) 7.615 70.833 ( 0.918 7.496 -4.350) 8.715 71.728 ( -0.907 -5.462 3.975) 6.816 71.945 ( -1.906 -4.628 -0.190) 5.008 ======================= Grid point 414 (151/231) ======================= q-point: ( 0.54 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 2.871 9.623 -14.051) 17.271 2.556 ( 1.060 7.729 -7.579) 10.876 2.707 ( 3.105 11.459 10.421) 15.797 3.107 ( 9.278 5.101 -6.474) 12.410 4.219 ( 0.823 1.339 3.693) 4.013 4.524 ( 0.618 7.881 5.998) 9.923 5.200 ( 14.551 2.516 -3.053) 15.079 5.758 ( -3.618 -14.819 7.502) 16.999 5.870 ( -1.492 -3.487 -3.412) 5.101 6.744 ( -4.483 2.092 -3.952) 6.332 7.256 ( 10.930 0.816 6.384) 12.685 7.801 ( -11.654 1.810 -5.320) 12.938 10.382 ( 14.535 0.443 3.707) 15.007 10.927 ( -5.676 13.798 -2.354) 15.104 11.937 ( -2.049 -0.912 2.217) 3.154 12.124 ( 1.805 2.671 -2.411) 4.025 12.434 ( 2.768 8.421 -0.422) 8.874 12.445 ( 3.827 8.393 0.002) 9.224 31.818 ( -0.320 -1.542 0.301) 1.603 31.934 ( -1.103 -1.287 -0.184) 1.705 32.027 ( 0.336 -0.046 -0.546) 0.643 32.061 ( -0.276 0.423 -0.211) 0.548 32.831 ( -0.051 -1.296 0.559) 1.413 32.899 ( -1.568 -2.301 -0.196) 2.791 36.301 ( 0.629 0.234 0.088) 0.677 36.327 ( -0.097 0.883 -0.249) 0.922 36.413 ( -0.403 -0.437 0.078) 0.599 36.436 ( -0.102 -0.811 0.300) 0.870 68.824 ( -0.420 -0.495 0.294) 0.713 68.837 ( -0.314 -0.794 -0.397) 0.941 70.154 ( 0.185 0.356 -0.058) 0.405 70.297 ( 0.190 0.495 0.141) 0.549 70.688 ( 4.661 5.826 -0.675) 7.492 70.907 ( 1.544 6.033 -2.792) 6.825 71.673 ( -1.114 -4.707 2.941) 5.662 71.855 ( -3.238 -4.351 -0.288) 5.431 ======================= Grid point 415 (152/231) ======================= q-point: ( 0.62 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 8.677 7.698 -12.205) 16.838 2.627 ( 2.491 5.192 -7.037) 9.093 2.915 ( 2.083 12.068 12.369) 17.406 3.298 ( 7.837 7.834 -6.566) 12.881 4.228 ( 0.470 -3.832 4.054) 5.598 4.533 ( -4.932 -1.793 2.610) 5.861 5.344 ( 0.477 2.681 -5.819) 6.425 5.651 ( 0.640 -7.762 8.478) 11.512 5.854 ( 5.482 -4.478 -3.213) 7.773 6.719 ( -0.397 6.915 -4.285) 8.144 7.425 ( 5.768 -6.180 5.255) 9.953 7.630 ( -8.009 6.159 -3.234) 10.608 10.664 ( 12.115 4.788 2.591) 13.282 10.948 ( -2.451 9.358 -3.402) 10.254 11.885 ( -2.657 -3.840 2.424) 5.261 12.170 ( 0.764 3.326 -0.764) 3.497 12.549 ( 2.832 5.211 -0.260) 5.937 12.576 ( 3.326 5.353 0.011) 6.302 31.798 ( -0.406 -1.278 0.034) 1.341 31.905 ( -0.890 -1.004 0.051) 1.343 32.029 ( 0.069 0.070 -0.308) 0.324 32.061 ( -0.058 0.294 -0.018) 0.300 32.823 ( 0.227 -0.970 0.501) 1.115 32.852 ( -1.609 -1.447 -0.375) 2.197 36.317 ( 0.723 0.389 0.095) 0.826 36.333 ( -0.027 0.745 -0.254) 0.788 36.402 ( -0.411 -0.396 0.147) 0.589 36.423 ( -0.383 -0.974 0.145) 1.056 68.815 ( -0.265 -0.345 0.215) 0.485 68.824 ( -0.325 -0.594 -0.252) 0.723 70.159 ( 0.112 0.193 -0.008) 0.223 70.309 ( 0.345 0.638 0.069) 0.729 70.815 ( 4.314 4.852 -1.145) 6.592 70.981 ( 1.901 4.377 -1.194) 4.919 71.621 ( -1.443 -3.389 1.820) 4.109 71.755 ( -3.203 -4.109 -0.172) 5.213 ======================= Grid point 416 (153/231) ======================= q-point: ( 0.69 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 11.899 7.604 -9.455) 16.994 2.674 ( 1.861 1.338 -5.794) 6.231 3.096 ( 0.762 9.119 13.879) 16.624 3.451 ( 2.821 9.524 -9.297) 13.605 4.173 ( -6.489 -1.665 1.040) 6.780 4.420 ( 0.970 -10.753 5.745) 12.230 5.297 ( -5.490 2.460 -3.708) 7.067 5.632 ( 1.981 -6.256 5.132) 8.330 5.899 ( 1.888 2.813 -7.522) 8.250 6.844 ( 6.823 7.405 -0.604) 10.087 7.324 ( -6.776 -6.052 0.133) 9.086 7.667 ( 2.460 3.020 1.766) 4.277 10.793 ( -8.086 14.823 -2.834) 17.121 11.105 ( 15.897 -0.698 0.807) 15.933 11.778 ( -4.510 -7.518 2.083) 9.011 12.207 ( -0.461 3.577 0.608) 3.658 12.628 ( 2.164 2.221 -0.106) 3.103 12.658 ( 1.915 1.982 -0.127) 2.759 31.782 ( -0.223 -0.849 -0.138) 0.889 31.885 ( -0.440 -0.715 0.198) 0.863 32.030 ( 0.033 0.233 -0.231) 0.330 32.063 ( -0.005 0.171 0.155) 0.231 32.815 ( -1.138 -0.721 -0.043) 1.348 32.824 ( 0.441 -0.644 0.061) 0.783 36.329 ( -0.154 0.822 -0.205) 0.861 36.344 ( 0.857 0.245 0.055) 0.893 36.393 ( -0.205 -0.308 0.168) 0.407 36.405 ( -0.624 -1.000 0.057) 1.180 68.811 ( 0.013 -0.244 0.136) 0.280 68.813 ( -0.233 -0.415 -0.116) 0.490 70.162 ( 0.131 -0.006 -0.017) 0.133 70.319 ( 0.024 0.744 0.028) 0.745 70.914 ( 2.607 3.637 -1.395) 4.687 71.046 ( 1.949 2.615 -0.250) 3.272 71.568 ( -2.785 -1.126 0.536) 3.051 71.678 ( -0.715 -4.170 0.461) 4.256 ======================= Grid point 417 (154/231) ======================= q-point: (-0.23 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 10.731 8.067 -10.780) 17.218 2.670 ( -0.497 -1.876 -1.498) 2.452 3.210 ( -0.565 2.607 10.534) 10.866 3.510 ( -2.911 10.845 -7.683) 13.606 3.997 ( -9.820 -1.427 -2.075) 10.138 4.427 ( 6.697 -10.770 8.428) 15.227 5.205 ( -5.910 2.091 -0.460) 6.286 5.639 ( 4.023 -5.413 1.680) 6.950 5.917 ( -2.977 9.484 -8.869) 13.322 7.043 ( 7.651 5.700 0.999) 9.593 7.150 ( -6.884 -4.411 -0.972) 8.234 7.719 ( 1.609 -1.396 2.163) 3.036 10.752 ( -11.427 14.940 -3.405) 19.114 11.371 ( 14.147 -2.090 0.147) 14.301 11.603 ( -5.889 -9.671 2.884) 11.684 12.226 ( -1.325 2.694 1.040) 3.177 12.663 ( 0.332 0.318 0.059) 0.463 12.681 ( -0.015 -0.295 -0.309) 0.427 31.774 ( 0.179 -0.364 -0.184) 0.445 31.878 ( 0.189 -0.471 0.240) 0.562 32.033 ( 0.112 0.334 -0.246) 0.430 32.065 ( -0.010 0.023 0.228) 0.229 32.795 ( -0.690 0.070 -0.056) 0.696 32.830 ( 0.951 -0.628 0.052) 1.141 36.329 ( -0.580 0.762 -0.271) 0.995 36.364 ( 1.154 0.112 0.141) 1.168 36.383 ( -0.768 -0.785 -0.000) 1.099 36.392 ( 0.138 -0.260 0.194) 0.352 68.807 ( -0.078 -0.242 -0.005) 0.254 68.812 ( 0.337 -0.170 0.045) 0.380 70.163 ( 0.096 -0.129 -0.037) 0.165 70.323 ( -0.423 0.651 0.025) 0.777 70.957 ( -0.547 2.252 -1.156) 2.590 71.092 ( 1.430 0.953 -0.503) 1.791 71.516 ( -2.764 0.568 0.308) 2.838 71.657 ( 2.212 -3.225 0.684) 3.970 ======================= Grid point 418 (155/231) ======================= q-point: (-0.15 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -0.998 3.858 -14.923) 15.446 2.637 ( 1.543 0.483 4.652) 4.925 3.179 ( -3.958 -3.154 -3.828) 6.346 3.527 ( -8.618 11.580 1.584) 14.521 3.868 ( -0.515 -1.254 0.818) 1.583 4.424 ( 0.585 -10.538 7.061) 12.698 5.179 ( -0.698 4.167 3.913) 5.759 5.674 ( 5.686 -4.345 -2.020) 7.436 5.921 ( -5.008 11.704 -7.183) 14.616 6.998 ( -5.360 -3.959 -1.420) 6.813 7.206 ( 3.767 6.143 0.329) 7.213 7.714 ( 1.137 -5.619 2.123) 6.113 10.683 ( -11.707 12.893 -1.543) 17.484 11.310 ( -8.191 -10.883 -1.878) 13.750 11.641 ( 10.188 -0.862 3.664) 10.862 12.220 ( -1.794 0.777 0.621) 2.052 12.641 ( -2.571 -0.813 -0.115) 2.699 12.653 ( -2.773 -0.361 -0.159) 2.801 31.780 ( 0.664 0.068 -0.122) 0.679 31.884 ( 0.891 -0.332 0.197) 0.971 32.038 ( 0.185 0.342 -0.292) 0.486 32.065 ( 0.039 -0.195 0.142) 0.244 32.792 ( -0.033 0.406 0.186) 0.448 32.844 ( 1.362 -0.485 -0.137) 1.452 36.324 ( -0.672 0.592 -0.181) 0.913 36.361 ( -0.752 -0.702 -0.175) 1.044 36.385 ( 0.939 0.116 0.232) 0.974 36.397 ( 0.536 -0.071 0.225) 0.586 68.806 ( 0.123 -0.106 0.076) 0.179 68.819 ( 0.638 -0.087 -0.064) 0.647 70.163 ( -0.015 -0.101 -0.044) 0.112 70.318 ( -0.766 0.314 0.057) 0.830 70.930 ( -4.094 1.436 -0.826) 4.416 71.106 ( 0.210 -0.219 -1.866) 1.891 71.495 ( -0.847 0.849 1.697) 2.078 71.690 ( 4.114 -1.587 0.260) 4.417 ======================= Grid point 426 (156/231) ======================= q-point: ( 0.46 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -0.000 8.458 -13.507) 15.937 2.590 ( -0.000 8.448 -9.689) 12.855 2.620 ( 0.000 10.825 10.629) 15.171 2.877 ( -0.000 3.784 -7.075) 8.023 4.211 ( 0.000 4.017 3.175) 5.121 4.537 ( 0.000 17.796 13.398) 22.276 4.771 ( -0.000 -1.126 -4.540) 4.677 5.852 ( 0.000 -19.384 9.349) 21.521 5.971 ( -0.000 -1.135 -4.960) 5.088 6.802 ( 0.000 2.266 4.815) 5.321 7.053 ( -0.000 2.203 -0.734) 2.322 8.025 ( -0.000 -1.350 -7.529) 7.649 10.091 ( 0.000 -1.598 4.080) 4.382 11.051 ( -0.000 15.810 -0.767) 15.829 11.990 ( 0.000 -0.058 2.076) 2.077 12.068 ( -0.000 2.311 -3.754) 4.408 12.372 ( -0.000 10.571 0.096) 10.572 12.387 ( -0.000 10.178 -0.934) 10.221 31.824 ( 0.000 -1.499 0.592) 1.612 31.959 ( 0.000 -1.622 -0.366) 1.663 32.014 ( -0.000 0.058 -0.869) 0.871 32.069 ( -0.000 0.363 -0.306) 0.475 32.833 ( 0.000 -1.612 0.740) 1.774 32.928 ( 0.000 -2.757 -0.258) 2.769 36.290 ( 0.000 0.148 0.089) 0.173 36.330 ( -0.000 0.996 -0.227) 1.021 36.419 ( 0.000 -0.466 -0.126) 0.483 36.437 ( 0.000 -0.637 0.573) 0.857 68.834 ( 0.000 -0.630 0.361) 0.727 68.843 ( -0.000 -0.800 -0.486) 0.936 70.148 ( -0.000 0.595 -0.202) 0.628 70.300 ( 0.000 -0.126 0.138) 0.187 70.594 ( -0.000 7.157 0.295) 7.163 70.881 ( -0.000 6.820 -3.593) 7.708 71.692 ( 0.000 -5.842 2.920) 6.531 71.917 ( 0.000 -4.295 -0.150) 4.298 ======================= Grid point 427 (157/231) ======================= q-point: ( 0.54 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -0.022 5.417 -12.924) 14.014 2.643 ( -2.845 12.213 -4.818) 13.434 2.779 ( 4.872 8.130 5.279) 10.849 2.977 ( 7.379 5.174 -3.196) 9.562 4.222 ( -0.449 -2.444 3.058) 3.941 4.673 ( -3.260 10.219 3.437) 11.264 4.947 ( 14.772 4.402 2.859) 15.677 5.666 ( -2.036 -18.032 7.179) 19.515 5.908 ( -3.845 -2.441 -0.526) 4.585 6.820 ( -2.062 2.813 -0.537) 3.529 7.139 ( 5.997 3.415 1.419) 7.045 7.928 ( -5.682 -1.520 -6.532) 8.790 10.173 ( 9.501 -1.488 3.921) 10.386 11.160 ( -4.477 15.047 -1.829) 15.805 11.971 ( -2.187 -1.481 2.039) 3.337 12.100 ( 2.406 2.161 -2.964) 4.387 12.486 ( 1.584 8.913 0.150) 9.054 12.488 ( 0.844 8.736 -0.614) 8.798 31.810 ( -0.211 -1.361 0.486) 1.461 31.936 ( -0.704 -1.323 -0.325) 1.533 32.016 ( 0.463 0.009 -0.572) 0.736 32.068 ( -0.222 0.198 -0.217) 0.368 32.821 ( -0.033 -1.260 0.802) 1.494 32.895 ( -0.736 -2.206 -0.554) 2.390 36.295 ( 0.376 0.153 0.151) 0.433 36.338 ( -0.112 1.044 -0.260) 1.082 36.413 ( -0.165 -0.433 -0.120) 0.479 36.431 ( -0.110 -0.834 0.469) 0.964 68.827 ( -0.270 -0.500 0.269) 0.629 68.833 ( -0.183 -0.578 -0.373) 0.712 70.155 ( 0.167 0.532 -0.125) 0.571 70.299 ( 0.060 -0.000 0.090) 0.108 70.686 ( 2.479 6.337 0.506) 6.823 70.937 ( 0.634 5.762 -2.487) 6.308 71.642 ( -0.229 -5.533 2.030) 5.898 71.860 ( -1.951 -3.720 -0.244) 4.208 ======================= Grid point 428 (158/231) ======================= q-point: ( 0.62 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 4.207 6.463 -6.182) 9.883 2.683 ( -3.066 9.508 -5.167) 11.247 2.994 ( 6.893 8.975 7.231) 13.429 3.163 ( 10.145 4.370 -4.262) 11.840 4.181 ( -0.399 -6.430 3.491) 7.328 4.675 ( -7.105 4.596 -0.211) 8.464 5.219 ( 11.363 0.354 -3.513) 11.899 5.562 ( 4.281 -9.375 11.386) 15.358 5.806 ( -4.220 -3.061 0.158) 5.215 6.813 ( -2.601 7.376 -4.071) 8.817 7.278 ( 6.807 -2.481 3.671) 8.122 7.786 ( -7.062 1.059 -4.760) 8.583 10.402 ( 16.502 -1.020 3.582) 16.917 11.187 ( -7.903 14.183 -3.007) 16.512 11.905 ( -3.230 -3.978 1.667) 5.388 12.160 ( 2.873 2.283 -1.646) 4.022 12.574 ( 0.809 5.900 -0.373) 5.967 12.590 ( 1.694 5.851 0.195) 6.094 31.794 ( -0.388 -1.102 0.279) 1.202 31.910 ( -0.840 -0.950 -0.195) 1.283 32.023 ( 0.428 -0.044 -0.244) 0.495 32.066 ( -0.160 0.224 -0.157) 0.317 32.813 ( 0.064 -1.061 0.691) 1.268 32.859 ( -1.085 -1.293 -0.591) 1.788 36.306 ( 0.724 0.162 0.195) 0.767 36.344 ( -0.236 1.041 -0.292) 1.107 36.404 ( -0.322 -0.403 -0.032) 0.517 36.420 ( -0.269 -0.976 0.258) 1.045 68.818 ( -0.339 -0.367 0.187) 0.533 68.823 ( -0.297 -0.393 -0.254) 0.555 70.160 ( 0.024 0.297 -0.021) 0.299 70.306 ( 0.543 0.264 0.031) 0.605 70.796 ( 3.427 5.088 0.276) 6.141 70.995 ( 1.013 4.365 -1.232) 4.648 71.595 ( 0.043 -4.649 1.305) 4.829 71.779 ( -3.402 -2.960 -0.381) 4.526 ======================= Grid point 429 (159/231) ======================= q-point: ( 0.69 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 8.611 7.835 -0.145) 11.643 2.686 ( -2.405 5.415 -6.613) 8.879 3.189 ( 2.455 4.160 13.251) 14.103 3.384 ( 11.414 7.925 -10.087) 17.171 4.127 ( 2.122 -9.159 4.536) 10.439 4.511 ( -12.987 0.060 -2.165) 13.166 5.305 ( 3.717 -1.633 -5.337) 6.705 5.622 ( -2.215 -3.663 10.179) 11.042 5.789 ( 8.404 0.078 -1.716) 8.578 6.868 ( 0.616 10.143 -2.499) 10.465 7.299 ( 0.398 -8.594 2.151) 8.868 7.712 ( -2.690 3.662 -1.881) 4.918 10.719 ( 19.167 -0.401 3.022) 19.408 11.159 ( -9.476 13.348 -3.397) 16.718 11.790 ( -4.596 -7.134 1.124) 8.560 12.222 ( 2.017 2.059 -0.571) 2.939 12.629 ( 0.728 3.041 -0.166) 3.132 12.655 ( 0.988 2.460 0.129) 2.654 31.779 ( -0.358 -0.705 0.092) 0.796 31.888 ( -0.673 -0.624 -0.065) 0.920 32.028 ( 0.274 0.037 -0.051) 0.281 32.066 ( -0.054 0.197 -0.077) 0.219 32.808 ( 0.267 -0.949 0.389) 1.060 32.830 ( -1.087 -0.352 -0.362) 1.199 36.324 ( 0.974 0.163 0.206) 1.008 36.348 ( -0.369 0.965 -0.290) 1.073 36.395 ( -0.307 -0.376 0.060) 0.489 36.405 ( -0.450 -0.955 0.065) 1.058 68.810 ( -0.204 -0.262 0.109) 0.349 68.814 ( -0.308 -0.231 -0.135) 0.408 70.162 ( -0.042 0.084 0.013) 0.095 70.320 ( 0.600 0.400 0.001) 0.721 70.898 ( 3.132 3.668 -0.037) 4.824 71.046 ( 1.103 2.744 -0.268) 2.969 71.566 ( 0.583 -3.044 0.686) 3.174 71.688 ( -3.906 -2.274 -0.376) 4.535 ======================= Grid point 430 (160/231) ======================= q-point: ( 0.77 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 9.839 8.946 1.040) 13.338 2.663 ( -1.484 1.802 -5.837) 6.286 3.256 ( -0.370 -2.563 9.188) 9.546 3.587 ( 4.543 11.179 -7.084) 13.992 4.120 ( 2.398 -6.741 2.836) 7.696 4.275 ( -8.656 -4.260 -0.606) 9.667 5.295 ( -1.819 -0.576 -2.174) 2.892 5.565 ( -0.832 -3.065 3.258) 4.549 5.956 ( 5.744 5.658 -1.732) 8.246 7.004 ( 4.252 8.552 -0.049) 9.551 7.179 ( -3.846 -7.985 0.055) 8.863 7.713 ( -0.471 0.567 0.108) 0.745 11.017 ( 7.006 4.658 0.538) 8.431 11.134 ( 0.450 6.994 -1.119) 7.097 11.619 ( -5.948 -9.197 0.617) 10.970 12.257 ( 0.292 1.038 0.063) 1.080 12.661 ( 0.689 1.263 -0.026) 1.439 12.676 ( 0.171 0.074 -0.011) 0.186 31.770 ( -0.089 -0.243 -0.011) 0.259 31.875 ( -0.285 -0.372 0.021) 0.470 32.033 ( 0.188 0.199 -0.032) 0.275 32.066 ( -0.065 0.005 0.016) 0.067 32.807 ( 0.025 -0.163 0.017) 0.165 32.813 ( -0.297 -0.314 -0.016) 0.433 36.342 ( 0.580 0.352 0.060) 0.681 36.349 ( -0.050 0.513 -0.105) 0.526 36.387 ( -0.358 -0.818 0.073) 0.896 36.389 ( -0.276 -0.195 -0.017) 0.338 68.807 ( 0.044 -0.174 0.025) 0.181 68.807 ( -0.203 -0.079 -0.023) 0.219 70.162 ( 0.003 -0.015 0.000) 0.016 70.331 ( 0.173 0.311 -0.001) 0.355 70.968 ( 1.556 2.199 -0.180) 2.700 71.082 ( 0.874 1.179 -0.025) 1.468 71.561 ( 0.154 0.078 0.118) 0.209 71.607 ( -1.998 -2.781 0.013) 3.425 ======================= Grid point 431 (161/231) ======================= q-point: (-0.15 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 5.002 10.838 -9.210) 15.077 2.640 ( 0.398 -1.848 4.929) 5.280 3.198 ( -3.665 -4.541 -1.176) 5.953 3.735 ( 1.918 10.235 5.025) 11.562 3.950 ( -13.087 -0.238 -5.351) 14.141 4.239 ( 7.635 -12.568 3.115) 15.032 5.256 ( -1.785 1.467 2.751) 3.593 5.570 ( 2.597 -0.837 -0.920) 2.879 6.054 ( -0.887 7.313 -2.631) 7.822 7.037 ( -4.622 -3.791 -0.657) 6.014 7.162 ( 5.861 3.762 0.038) 6.965 7.689 ( -1.340 -2.519 0.760) 2.953 10.983 ( -10.899 6.200 0.285) 12.543 11.283 ( 2.784 -2.972 -4.210) 5.857 11.497 ( 4.246 -2.892 4.115) 6.582 12.249 ( -1.382 -0.956 0.168) 1.689 12.666 ( -0.961 -0.202 -0.092) 0.986 12.677 ( -0.198 0.457 -0.028) 0.499 31.772 ( 0.335 0.171 -0.034) 0.378 31.872 ( 0.253 -0.225 0.068) 0.345 32.038 ( 0.139 0.298 -0.120) 0.350 32.064 ( -0.098 -0.287 0.060) 0.309 32.801 ( -0.511 0.311 0.186) 0.627 32.819 ( 1.010 -0.300 -0.176) 1.068 36.341 ( -0.716 0.443 -0.043) 0.843 36.359 ( 0.311 -0.378 -0.260) 0.554 36.377 ( 0.127 0.081 0.316) 0.350 36.388 ( 0.288 -0.201 0.028) 0.352 68.805 ( -0.067 0.046 0.052) 0.096 68.809 ( 0.363 -0.083 -0.046) 0.376 70.162 ( 0.035 0.025 -0.014) 0.045 70.330 ( -0.404 -0.009 0.016) 0.405 70.988 ( -1.131 1.340 -0.241) 1.771 71.096 ( 0.200 0.000 -0.657) 0.687 71.536 ( -2.554 0.413 0.756) 2.695 71.609 ( 3.556 -1.168 -0.116) 3.745 ======================= Grid point 440 (162/231) ======================= q-point: ( 0.54 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -0.000 5.700 -7.394) 9.336 2.778 ( -0.000 4.428 -3.348) 5.551 2.812 ( -0.000 14.388 -0.041) 14.388 2.958 ( -0.000 4.560 -0.071) 4.560 4.203 ( 0.000 -4.722 2.232) 5.223 4.754 ( 0.000 0.725 2.079) 2.202 4.933 ( -0.000 11.996 5.010) 13.000 5.537 ( 0.000 -16.544 7.715) 18.254 5.910 ( 0.000 -3.524 0.435) 3.551 6.853 ( 0.000 0.145 2.345) 2.350 7.145 ( -0.000 7.525 -2.792) 8.026 7.927 ( -0.000 -2.716 -5.907) 6.502 10.087 ( 0.000 -1.826 3.998) 4.395 11.338 ( -0.000 13.897 -1.635) 13.992 11.984 ( 0.000 -2.756 2.403) 3.656 12.078 ( -0.000 1.794 -3.930) 4.320 12.558 ( -0.000 7.659 0.377) 7.669 12.562 ( -0.000 7.715 -0.712) 7.748 31.802 ( 0.000 -1.143 0.533) 1.261 31.928 ( 0.000 -1.149 -0.385) 1.212 32.011 ( -0.000 0.209 -0.472) 0.516 32.070 ( -0.000 -0.038 -0.180) 0.184 32.813 ( 0.000 -1.161 0.863) 1.447 32.879 ( 0.000 -1.628 -0.726) 1.783 36.293 ( 0.000 0.105 0.204) 0.229 36.349 ( -0.000 1.118 -0.274) 1.151 36.410 ( -0.000 -0.333 -0.228) 0.403 36.425 ( 0.000 -0.988 0.488) 1.102 68.825 ( 0.000 -0.429 0.185) 0.467 68.829 ( -0.000 -0.361 -0.288) 0.462 70.159 ( -0.000 0.644 -0.113) 0.654 70.296 ( 0.000 -0.303 0.034) 0.305 70.729 ( -0.000 5.722 1.221) 5.851 70.978 ( -0.000 5.032 -1.775) 5.336 71.595 ( 0.000 -5.365 1.181) 5.494 71.843 ( 0.000 -3.020 -0.301) 3.035 ======================= Grid point 441 (163/231) ======================= q-point: ( 0.62 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 0.796 8.207 1.644) 8.408 2.848 ( -6.119 7.910 -1.794) 10.160 2.894 ( 9.490 5.650 -4.805) 12.044 3.080 ( 6.048 4.205 2.568) 7.801 4.143 ( -1.207 -6.371 1.077) 6.573 4.797 ( -0.640 3.693 2.453) 4.479 5.056 ( 5.064 1.465 -1.885) 5.599 5.445 ( 2.735 -10.294 11.260) 15.500 5.854 ( -3.310 -2.266 0.949) 4.122 6.869 ( 1.066 1.660 -0.285) 1.993 7.217 ( 1.272 4.024 -1.009) 4.339 7.855 ( -3.315 -0.885 -4.315) 5.513 10.170 ( 9.843 -1.694 3.846) 10.703 11.420 ( -4.567 12.431 -1.854) 13.372 11.924 ( -3.106 -4.679 1.076) 5.718 12.115 ( 3.270 1.511 -2.808) 4.567 12.623 ( -0.030 4.977 -0.268) 4.985 12.630 ( 0.356 5.248 0.155) 5.262 31.791 ( -0.255 -0.854 0.439) 0.994 31.912 ( -0.520 -0.744 -0.365) 0.978 32.016 ( 0.328 0.204 -0.217) 0.443 32.068 ( -0.042 -0.025 -0.176) 0.183 32.804 ( -0.001 -1.129 0.602) 1.280 32.860 ( -0.513 -0.694 -0.539) 1.018 36.299 ( 0.404 0.065 0.239) 0.474 36.358 ( -0.156 1.134 -0.291) 1.181 36.405 ( -0.173 -0.266 -0.200) 0.375 36.415 ( -0.154 -1.090 0.336) 1.151 68.820 ( -0.230 -0.339 0.125) 0.428 68.824 ( -0.195 -0.160 -0.215) 0.332 70.164 ( -0.047 0.447 -0.022) 0.450 70.297 ( 0.453 -0.151 -0.018) 0.478 70.800 ( 1.853 4.217 1.356) 4.801 71.021 ( 0.372 3.930 -0.790) 4.026 71.550 ( 0.187 -4.435 0.509) 4.468 71.799 ( -1.905 -2.132 -0.458) 2.896 ======================= Grid point 442 (164/231) ======================= q-point: ( 0.69 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 3.655 9.617 9.099) 13.735 2.789 ( -5.503 4.153 -5.754) 8.980 3.163 ( 15.954 6.450 -4.500) 17.787 3.204 ( 3.604 -0.073 6.244) 7.210 4.052 ( -1.549 -7.345 0.657) 7.535 4.725 ( -10.706 1.654 -2.779) 11.184 5.150 ( 8.088 -2.988 -3.978) 9.496 5.551 ( 10.724 -2.687 13.434) 17.398 5.764 ( -5.301 -1.003 -0.107) 5.396 6.933 ( 2.662 5.632 -1.095) 6.325 7.228 ( -0.626 -3.362 0.114) 3.422 7.786 ( -3.603 1.874 -2.660) 4.855 10.403 ( 16.940 -1.503 3.452) 17.353 11.423 ( -7.543 11.118 -1.845) 13.561 11.801 ( -4.645 -7.116 -0.190) 8.500 12.181 ( 3.679 1.122 -1.721) 4.214 12.654 ( -0.300 2.364 -0.214) 2.393 12.670 ( 0.056 1.988 0.321) 2.014 31.780 ( -0.387 -0.466 0.283) 0.668 31.895 ( -0.704 -0.347 -0.288) 0.836 32.023 ( 0.356 0.161 0.048) 0.394 32.067 ( 0.008 0.075 -0.190) 0.205 32.796 ( 0.134 -0.903 0.218) 0.939 32.844 ( -0.851 0.064 -0.194) 0.875 36.310 ( 0.764 0.014 0.249) 0.804 36.364 ( -0.322 1.099 -0.278) 1.179 36.396 ( -0.342 -0.619 0.070) 0.711 36.403 ( -0.246 -0.663 -0.050) 0.709 68.813 ( -0.294 -0.238 0.052) 0.382 68.818 ( -0.323 0.006 -0.117) 0.344 70.165 ( -0.180 0.153 0.040) 0.240 70.309 ( 0.875 0.045 -0.038) 0.876 70.879 ( 2.801 2.369 1.130) 3.839 71.059 ( 0.444 2.571 0.139) 2.612 71.522 ( 0.772 -2.998 0.002) 3.096 71.735 ( -3.368 -1.060 -0.588) 3.579 ======================= Grid point 443 (165/231) ======================= q-point: (-0.23 -0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 6.530 9.626 11.973) 16.693 2.710 ( -3.939 1.598 -7.314) 8.459 3.244 ( 0.927 -4.444 6.215) 7.697 3.488 ( 14.915 7.243 -5.141) 17.359 3.969 ( 0.982 -8.753 2.755) 9.229 4.500 ( -14.189 0.579 -4.588) 14.924 5.223 ( 5.288 -2.435 -3.868) 6.989 5.635 ( -6.246 -0.419 3.631) 7.237 5.828 ( 13.163 2.075 5.336) 14.354 7.052 ( 2.560 8.734 -0.371) 9.109 7.141 ( -2.285 -7.784 0.456) 8.125 7.741 ( -2.659 0.672 -1.681) 3.216 10.717 ( 19.449 -1.787 2.616) 19.705 11.373 ( -8.970 7.969 -0.177) 12.000 11.632 ( -5.714 -7.124 -2.157) 9.384 12.237 ( 2.373 0.159 -0.847) 2.525 12.664 ( 0.073 0.473 -0.099) 0.488 12.677 ( -0.150 -0.234 0.311) 0.417 31.773 ( -0.299 -0.022 0.142) 0.332 31.880 ( -0.620 -0.060 -0.189) 0.651 32.031 ( 0.290 0.207 0.172) 0.395 32.067 ( -0.057 0.011 -0.154) 0.165 32.795 ( 0.424 -0.432 -0.002) 0.606 32.830 ( -1.035 0.391 0.004) 1.107 36.326 ( 0.999 -0.088 0.218) 1.026 36.365 ( -0.557 0.863 -0.118) 1.034 36.383 ( -0.208 -0.856 -0.003) 0.881 36.394 ( -0.371 -0.031 -0.151) 0.402 68.807 ( -0.170 -0.132 -0.009) 0.215 68.812 ( -0.339 0.147 -0.024) 0.370 70.163 ( -0.139 0.011 0.036) 0.144 70.323 ( 0.756 -0.029 -0.027) 0.757 70.946 ( 2.756 0.660 0.764) 2.935 71.085 ( 0.270 1.189 0.661) 1.387 71.520 ( 1.709 -1.581 -0.379) 2.359 71.664 ( -4.116 0.196 -0.492) 4.150 ======================= Grid point 454 (166/231) ======================= q-point: ( 0.62 0.62 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 0.000 10.771 10.113) 14.775 2.829 ( -0.000 4.299 -4.074) 5.923 2.958 ( -0.000 -2.837 -5.835) 6.488 3.074 ( -0.000 9.256 4.696) 10.379 4.095 ( 0.000 -5.697 -1.420) 5.871 4.836 ( 0.000 3.112 9.092) 9.610 5.014 ( -0.000 -3.068 -8.371) 8.915 5.372 ( 0.000 -6.913 11.844) 13.714 5.874 ( 0.000 -0.458 1.663) 1.725 6.844 ( 0.000 -1.917 -0.171) 1.924 7.260 ( -0.000 4.887 -2.237) 5.374 7.865 ( -0.000 0.622 -2.876) 2.943 10.081 ( 0.000 -1.746 3.930) 4.300 11.563 ( -0.000 9.460 -0.726) 9.488 11.907 ( 0.000 -6.054 0.462) 6.072 12.082 ( -0.000 1.631 -3.852) 4.183 12.661 ( -0.000 2.616 -0.078) 2.617 12.671 ( -0.000 3.211 0.074) 3.212 31.788 ( 0.000 -0.556 0.478) 0.733 31.910 ( -0.000 -0.360 -0.437) 0.566 32.015 ( -0.000 0.385 -0.097) 0.397 32.067 ( -0.000 -0.090 -0.190) 0.210 32.795 ( 0.000 -1.054 0.241) 1.081 32.860 ( -0.000 0.060 -0.210) 0.218 36.296 ( 0.000 -0.003 0.271) 0.271 36.369 ( -0.000 1.148 -0.296) 1.185 36.404 ( -0.000 -0.076 -0.297) 0.307 36.406 ( 0.000 -1.238 0.329) 1.281 68.819 ( 0.000 -0.277 0.050) 0.281 68.824 ( -0.000 0.058 -0.149) 0.160 70.169 ( -0.000 0.372 0.030) 0.373 70.290 ( 0.000 -0.215 -0.072) 0.227 70.824 ( 0.000 2.292 1.892) 2.972 71.051 ( -0.000 3.127 0.022) 3.127 71.510 ( 0.000 -3.221 -0.241) 3.230 71.797 ( 0.000 -1.236 -0.608) 1.377 ======================= Grid point 455 (167/231) ======================= q-point: (-0.31 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -0.041 11.500 16.586) 20.183 2.853 ( -3.291 -4.113 -7.261) 8.970 2.953 ( 10.647 4.661 -4.729) 12.548 3.188 ( 2.244 1.961 7.950) 8.490 4.020 ( -1.656 -4.610 -3.106) 5.800 4.853 ( -5.549 -2.917 -5.750) 8.507 4.988 ( 6.548 -0.745 2.049) 6.901 5.419 ( 6.230 -2.879 11.931) 13.764 5.852 ( -4.003 0.953 2.102) 4.621 6.865 ( 5.234 -1.683 -0.692) 5.541 7.259 ( -2.834 0.961 -1.891) 3.540 7.853 ( -2.530 3.068 -1.847) 4.384 10.166 ( 9.884 -1.635 3.750) 10.697 11.601 ( -3.709 4.714 0.481) 6.017 11.808 ( -4.044 -5.195 -1.916) 6.857 12.118 ( 3.494 1.169 -2.965) 4.729 12.671 ( -0.187 -0.015 -0.121) 0.223 12.687 ( -0.337 0.316 0.274) 0.538 31.784 ( -0.250 -0.188 0.412) 0.517 31.903 ( -0.471 0.083 -0.429) 0.643 32.021 ( 0.206 0.384 0.118) 0.451 32.066 ( 0.072 0.023 -0.238) 0.249 32.787 ( 0.078 -0.663 -0.031) 0.669 32.859 ( -0.502 0.567 0.033) 0.758 36.301 ( 0.409 -0.063 0.283) 0.501 36.378 ( -0.173 1.104 -0.302) 1.157 36.392 ( -0.229 -1.222 0.239) 1.267 36.402 ( -0.092 0.022 -0.286) 0.301 68.815 ( -0.205 -0.177 -0.024) 0.272 68.823 ( -0.220 0.235 -0.062) 0.328 70.170 ( -0.191 0.084 0.082) 0.224 70.294 ( 0.634 -0.060 -0.099) 0.644 70.857 ( 1.724 -0.018 1.916) 2.577 71.080 ( 0.077 2.043 0.925) 2.244 71.487 ( 0.352 -1.612 -0.862) 1.861 71.772 ( -1.787 -0.126 -0.753) 1.943 ======================= Grid point 456 (168/231) ======================= q-point: (-0.23 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 1.617 9.756 19.215) 21.610 2.729 ( -2.413 -4.558 -8.720) 10.131 3.175 ( 7.663 -0.111 -2.755) 8.144 3.278 ( 9.108 -0.186 8.540) 12.487 3.932 ( -2.362 -3.379 -3.094) 5.154 4.655 ( -7.921 -5.152 -9.914) 13.696 5.102 ( 4.939 0.668 0.112) 4.985 5.630 ( 13.691 0.659 11.716) 18.032 5.772 ( -7.207 1.584 1.675) 7.567 6.975 ( 8.258 -1.917 1.000) 8.537 7.182 ( -4.559 0.080 -1.969) 4.967 7.813 ( -4.846 2.201 -1.984) 5.680 10.396 ( 16.652 -1.782 3.200) 17.050 11.516 ( -5.811 -7.315 1.878) 9.529 11.693 ( -5.905 3.568 -4.276) 8.117 12.182 ( 3.605 0.329 -1.745) 4.019 12.659 ( 0.056 -1.779 -0.154) 1.786 12.672 ( -0.330 -2.104 0.445) 2.176 31.780 ( -0.353 0.230 0.286) 0.509 31.893 ( -0.733 0.417 -0.352) 0.914 32.030 ( 0.257 0.354 0.286) 0.523 32.067 ( 0.029 0.070 -0.245) 0.256 32.786 ( 0.270 -0.134 -0.109) 0.320 32.853 ( -0.952 0.791 0.083) 1.240 36.311 ( 0.739 -0.139 0.267) 0.798 36.376 ( -0.310 -1.194 0.158) 1.243 36.383 ( -0.321 1.024 -0.268) 1.106 36.399 ( -0.225 0.216 -0.260) 0.406 68.810 ( -0.262 -0.058 -0.068) 0.277 68.821 ( -0.368 0.381 0.015) 0.530 70.166 ( -0.235 -0.089 0.076) 0.262 70.307 ( 0.907 -0.143 -0.079) 0.922 70.895 ( 2.932 -1.862 1.560) 3.807 71.099 ( -0.103 0.862 1.580) 1.802 71.484 ( 0.895 -0.350 -1.324) 1.636 71.731 ( -3.120 1.192 -0.713) 3.415 ======================= Grid point 468 (169/231) ======================= q-point: (-0.31 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 0.000 11.101 20.904) 23.668 2.766 ( -0.000 -9.794 -10.714) 14.516 2.892 ( -0.000 4.403 -1.855) 4.778 3.221 ( 0.000 -0.109 9.983) 9.984 3.985 ( -0.000 -2.376 -5.496) 5.987 4.767 ( -0.000 -11.362 -15.166) 18.950 4.995 ( 0.000 4.019 12.837) 13.451 5.387 ( 0.000 -0.572 9.342) 9.360 5.922 ( 0.000 3.316 3.692) 4.963 6.777 ( -0.000 -3.783 -2.415) 4.488 7.281 ( -0.000 -1.061 -1.439) 1.788 7.912 ( -0.000 4.926 -1.731) 5.221 10.078 ( 0.000 -1.563 3.823) 4.131 11.619 ( 0.000 -7.823 1.186) 7.912 11.829 ( -0.000 2.800 -2.117) 3.511 12.084 ( -0.000 1.444 -3.773) 4.040 12.657 ( 0.000 -2.933 -0.058) 2.934 12.682 ( 0.000 -2.248 0.254) 2.262 31.788 ( 0.000 0.126 0.461) 0.478 31.908 ( -0.000 0.575 -0.483) 0.751 32.024 ( -0.000 0.480 0.244) 0.539 32.065 ( -0.000 0.131 -0.304) 0.331 32.782 ( -0.000 -0.204 -0.153) 0.255 32.871 ( -0.000 0.940 0.113) 0.947 36.297 ( 0.000 -0.110 0.304) 0.323 36.381 ( 0.000 -1.063 -0.096) 1.068 36.390 ( -0.000 0.813 0.020) 0.813 36.403 ( -0.000 0.213 -0.330) 0.393 68.815 ( -0.000 -0.077 -0.096) 0.123 68.829 ( -0.000 0.435 0.015) 0.435 70.172 ( 0.000 -0.179 0.113) 0.212 70.288 ( -0.000 0.091 -0.139) 0.166 70.837 ( 0.000 -2.570 2.227) 3.401 71.101 ( 0.000 1.188 1.861) 2.208 71.471 ( -0.000 -0.086 -1.703) 1.705 71.788 ( -0.000 0.983 -0.886) 1.323 ======================= Grid point 469 (170/231) ======================= q-point: (-0.23 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -1.543 3.703 18.108) 18.547 2.631 ( 1.293 -8.206 -7.695) 11.323 3.011 ( 8.694 3.358 -1.682) 9.471 3.246 ( 0.352 -3.534 13.043) 13.518 3.933 ( -1.664 -0.257 -6.182) 6.408 4.572 ( -0.767 -13.576 -16.310) 21.234 5.101 ( 1.412 4.236 9.176) 10.205 5.493 ( 7.695 2.258 9.691) 12.579 5.927 ( -5.787 4.372 3.801) 8.188 6.799 ( 7.826 -3.840 -1.845) 8.911 7.231 ( -2.746 -2.418 -0.738) 3.733 7.917 ( -4.077 4.064 -2.952) 6.469 10.162 ( 9.643 -1.609 3.568) 10.407 11.481 ( -3.139 -14.042 -0.171) 14.389 11.826 ( -4.284 5.766 -1.571) 7.353 12.117 ( 3.339 0.928 -2.806) 4.459 12.620 ( 0.484 -5.090 -0.068) 5.114 12.646 ( -0.231 -4.587 0.327) 4.605 31.790 ( -0.228 0.478 0.416) 0.673 31.910 ( -0.536 0.965 -0.455) 1.194 32.032 ( 0.134 0.462 0.380) 0.613 32.066 ( 0.057 0.251 -0.343) 0.429 32.783 ( 0.132 0.322 -0.128) 0.371 32.877 ( -0.597 1.131 0.036) 1.280 36.301 ( 0.386 -0.152 0.303) 0.514 36.368 ( -0.137 -1.221 -0.013) 1.229 36.397 ( -0.220 0.927 -0.068) 0.955 36.403 ( -0.082 0.355 -0.327) 0.489 68.813 ( -0.185 0.052 -0.131) 0.233 68.832 ( -0.254 0.600 0.081) 0.656 70.168 ( -0.139 -0.351 0.091) 0.388 70.294 ( 0.489 0.044 -0.125) 0.507 70.827 ( 1.991 -4.309 2.076) 5.181 71.115 ( -0.177 0.210 2.619) 2.634 71.470 ( 0.300 0.756 -2.398) 2.532 71.786 ( -1.633 2.265 -0.847) 2.918 ======================= Grid point 482 (171/231) ======================= q-point: (-0.23 -0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -0.000 -15.177 -11.722) 19.177 2.652 ( 0.000 -2.530 17.993) 18.170 2.972 ( -0.000 4.331 0.069) 4.331 3.268 ( 0.000 -2.536 15.692) 15.895 3.932 ( -0.000 1.906 -6.857) 7.117 4.353 ( -0.000 -17.998 -15.969) 24.061 5.169 ( 0.000 3.213 13.186) 13.571 5.502 ( 0.000 6.464 6.361) 9.069 6.060 ( 0.000 7.139 5.245) 8.859 6.661 ( -0.000 -5.378 -3.964) 6.681 7.219 ( 0.000 -4.432 0.629) 4.476 7.981 ( -0.000 3.723 -5.449) 6.600 10.077 ( 0.000 -1.493 3.658) 3.951 11.355 ( 0.000 -16.342 -1.323) 16.395 11.918 ( -0.000 4.792 0.658) 4.837 12.080 ( -0.000 1.051 -3.762) 3.906 12.549 ( 0.000 -7.810 -0.056) 7.811 12.591 ( 0.000 -6.934 0.267) 6.939 31.800 ( 0.000 0.729 0.491) 0.878 31.925 ( -0.000 1.431 -0.493) 1.514 32.037 ( 0.000 0.446 0.488) 0.661 32.068 ( -0.000 0.480 -0.459) 0.665 32.787 ( -0.000 0.815 -0.040) 0.816 32.894 ( -0.000 1.341 -0.138) 1.349 36.297 ( 0.000 -0.156 0.317) 0.354 36.357 ( 0.000 -1.186 -0.075) 1.188 36.407 ( -0.000 0.431 -0.331) 0.543 36.408 ( -0.000 0.835 0.033) 0.836 68.815 ( -0.000 0.192 -0.168) 0.256 68.841 ( -0.000 0.791 0.145) 0.804 70.164 ( 0.000 -0.600 0.047) 0.601 70.291 ( -0.000 0.233 -0.118) 0.261 70.766 ( 0.000 -5.938 2.236) 6.345 71.127 ( 0.000 -0.535 3.509) 3.550 71.467 ( -0.000 1.088 -3.408) 3.578 71.824 ( -0.000 3.411 -0.823) 3.509 ======================= Grid point 553 (172/231) ======================= q-point: ( 0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.000 -0.000 32.995) 32.995 1.185 ( 0.000 -0.000 32.995) 32.995 1.482 ( 0.000 -0.000 42.304) 42.304 3.050 ( -0.000 0.000 -10.631) 10.631 3.050 ( -0.000 0.000 -10.631) 10.631 4.609 ( -0.000 0.000 -26.968) 26.968 5.089 ( -0.000 0.000 -8.863) 8.863 5.089 ( -0.000 0.000 -8.863) 8.863 6.372 ( 0.000 -0.000 9.631) 9.631 6.372 ( 0.000 -0.000 9.631) 9.631 7.456 ( 0.000 -0.000 13.450) 13.450 8.359 ( -0.000 0.000 -5.263) 5.263 10.074 ( 0.000 -0.000 5.218) 5.218 10.074 ( 0.000 -0.000 5.218) 5.218 11.739 ( -0.000 0.000 -0.767) 0.767 11.795 ( 0.000 -0.000 0.191) 0.191 12.045 ( -0.000 0.000 -4.898) 4.898 12.045 ( -0.000 0.000 -4.898) 4.898 31.906 ( 0.000 -0.000 0.834) 0.834 31.906 ( 0.000 -0.000 0.834) 0.834 32.056 ( -0.000 0.000 -0.686) 0.686 32.056 ( -0.000 0.000 -0.686) 0.686 32.998 ( -0.000 0.000 -0.644) 0.644 33.133 ( 0.000 -0.000 0.630) 0.630 36.287 ( -0.000 0.000 -0.218) 0.218 36.287 ( -0.000 0.000 -0.218) 0.218 36.443 ( 0.000 -0.000 0.080) 0.080 36.443 ( 0.000 -0.000 0.080) 0.080 68.874 ( 0.000 -0.000 0.498) 0.498 68.970 ( -0.000 0.000 -0.552) 0.552 70.130 ( -0.000 0.000 -0.177) 0.177 70.130 ( -0.000 0.000 -0.177) 0.177 70.282 ( 0.000 -0.000 0.442) 0.442 70.282 ( 0.000 -0.000 0.442) 0.442 72.070 ( 0.000 -0.000 0.225) 0.225 72.180 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 554 (173/231) ======================= q-point: ( 0.31 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -10.141 -5.855 32.393) 34.444 1.374 ( 6.473 3.737 29.109) 30.053 2.199 ( 31.933 18.436 33.137) 49.575 2.976 ( -1.772 -1.023 -14.624) 14.767 3.034 ( 1.281 0.740 -10.671) 10.773 4.496 ( 0.054 0.031 -23.098) 23.098 5.105 ( 1.836 1.060 -9.667) 9.897 5.283 ( 19.234 11.105 -16.174) 27.475 6.426 ( 2.344 1.353 9.869) 10.234 6.515 ( 7.603 4.390 8.158) 11.985 7.425 ( -7.174 -4.142 12.648) 15.120 8.142 ( -15.322 -8.846 -0.072) 17.693 10.134 ( 2.134 1.232 5.385) 5.922 10.157 ( 6.127 3.538 3.069) 7.712 11.785 ( 4.202 2.426 -0.673) 4.898 11.830 ( 2.643 1.526 -0.313) 3.067 12.001 ( -0.193 -0.112 -4.642) 4.647 12.070 ( 1.974 1.140 -4.383) 4.941 31.910 ( -0.241 -0.139 0.884) 0.927 31.939 ( 2.193 1.266 -0.906) 2.690 32.039 ( -0.954 -0.551 -0.731) 1.322 32.058 ( 0.228 0.132 -0.619) 0.672 32.972 ( -1.974 -1.140 -0.255) 2.294 33.097 ( -2.778 -1.604 1.847) 3.702 36.287 ( 0.192 0.111 -0.194) 0.294 36.288 ( 0.140 0.081 -0.207) 0.263 36.439 ( -0.274 -0.158 0.077) 0.326 36.450 ( 0.435 0.251 0.049) 0.505 68.870 ( -0.515 -0.297 0.525) 0.793 68.944 ( -1.607 -0.928 -0.283) 1.877 70.126 ( -0.107 -0.062 -0.145) 0.190 70.259 ( 8.218 4.745 -4.652) 10.568 70.287 ( 0.257 0.148 0.391) 0.491 70.348 ( 6.172 3.563 -0.914) 7.185 71.991 ( -5.967 -3.445 3.786) 7.862 72.157 ( -2.003 -1.157 -0.037) 2.313 ======================= Grid point 555 (174/231) ======================= q-point: ( 0.38 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 8.002 4.620 13.999) 16.773 1.658 ( 9.107 5.258 23.198) 25.470 2.835 ( 1.418 0.818 -16.547) 16.628 3.029 ( 1.530 0.884 -9.259) 9.427 3.057 ( 26.740 15.438 23.607) 38.867 4.473 ( 4.185 2.416 -14.003) 14.814 5.097 ( 1.011 0.584 -11.248) 11.308 5.663 ( 17.590 10.156 -17.321) 26.694 6.544 ( 4.425 2.555 9.558) 10.838 6.719 ( 6.131 3.540 3.328) 7.822 7.244 ( -11.275 -6.510 12.356) 17.949 7.772 ( -15.829 -9.139 2.113) 18.400 10.204 ( 2.205 1.273 4.445) 5.123 10.357 ( 10.426 6.019 2.264) 12.249 11.869 ( 0.684 0.395 -2.501) 2.623 11.921 ( 7.811 4.510 -0.410) 9.029 12.042 ( 5.426 3.133 -1.698) 6.491 12.096 ( 1.533 0.885 -3.333) 3.774 31.902 ( -0.762 -0.440 0.708) 1.129 31.976 ( 1.462 0.844 -1.563) 2.301 32.009 ( -1.479 -0.854 -0.565) 1.799 32.061 ( 0.170 0.098 -0.477) 0.516 32.921 ( -2.188 -1.263 0.218) 2.536 33.037 ( -3.058 -1.765 1.737) 3.935 36.291 ( 0.213 0.123 -0.193) 0.313 36.294 ( 0.419 0.242 -0.118) 0.498 36.431 ( -0.460 -0.266 0.088) 0.539 36.459 ( 0.276 0.159 0.091) 0.331 68.856 ( -0.844 -0.487 0.474) 1.083 68.907 ( -1.417 -0.818 -0.460) 1.699 70.125 ( 0.099 0.057 -0.084) 0.142 70.295 ( 0.258 0.149 0.291) 0.416 70.407 ( 6.729 3.885 -2.118) 8.053 70.523 ( 8.922 5.151 -5.920) 11.882 71.873 ( -5.704 -3.293 5.907) 8.847 72.091 ( -3.678 -2.124 -0.116) 4.249 ======================= Grid point 556 (175/231) ======================= q-point: ( 0.46 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 16.137 9.317 -3.754) 19.008 1.945 ( 9.107 5.258 18.019) 20.863 2.779 ( 2.629 1.518 -18.788) 19.032 3.030 ( 1.061 0.613 -6.571) 6.684 3.719 ( 21.161 12.217 17.748) 30.200 4.570 ( 6.767 3.907 -3.140) 8.421 5.073 ( 1.000 0.578 -12.369) 12.423 5.905 ( 7.724 4.459 -9.589) 13.095 6.641 ( -12.419 -7.170 -5.595) 15.393 6.681 ( 4.308 2.488 8.125) 9.527 7.142 ( -2.416 -1.395 6.299) 6.889 7.523 ( -4.819 -2.782 6.225) 8.349 10.258 ( 1.271 0.734 2.206) 2.650 10.640 ( 13.423 7.750 2.096) 15.641 11.865 ( 0.164 0.095 -1.440) 1.452 12.110 ( 0.462 0.267 -2.124) 2.190 12.125 ( 9.886 5.708 -0.167) 11.416 12.206 ( 8.568 4.947 -0.697) 9.918 31.881 ( -1.158 -0.669 0.294) 1.369 31.971 ( -1.658 -0.957 -0.177) 1.922 31.995 ( 0.712 0.411 -1.183) 1.440 32.062 ( 0.086 0.050 -0.220) 0.241 32.880 ( -1.432 -0.827 0.185) 1.664 32.970 ( -3.244 -1.873 1.061) 3.893 36.296 ( 0.258 0.149 -0.198) 0.358 36.305 ( 0.620 0.358 -0.040) 0.717 36.420 ( -0.567 -0.327 0.131) 0.667 36.461 ( -0.148 -0.085 0.125) 0.212 68.838 ( -0.804 -0.464 0.350) 0.992 68.877 ( -1.113 -0.643 -0.509) 1.382 70.131 ( 0.399 0.230 -0.045) 0.462 70.300 ( 0.079 0.046 0.198) 0.218 70.559 ( 7.105 4.102 -1.597) 8.358 70.688 ( 7.413 4.280 -5.344) 10.090 71.777 ( -4.725 -2.728 5.273) 7.587 71.995 ( -4.606 -2.659 -0.060) 5.319 ======================= Grid point 557 (176/231) ======================= q-point: ( 0.54 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 17.934 10.354 -14.376) 25.209 2.205 ( 8.384 4.841 14.206) 17.191 2.843 ( 8.486 4.899 -14.295) 17.331 3.020 ( -0.465 -0.269 -3.301) 3.344 4.104 ( 7.930 4.578 8.937) 12.795 4.723 ( 4.987 2.879 6.213) 8.472 5.056 ( 1.809 1.045 -12.612) 12.783 5.937 ( -2.285 -1.319 -2.387) 3.558 6.297 ( -13.570 -7.835 -6.789) 17.077 6.787 ( 2.511 1.450 5.873) 6.550 7.076 ( -1.013 -0.585 -5.298) 5.426 7.588 ( 4.318 2.493 9.491) 10.721 10.274 ( -0.143 -0.082 -0.873) 0.888 10.967 ( 14.366 8.294 1.617) 16.667 11.877 ( 0.916 0.529 1.310) 1.684 12.095 ( -1.414 -0.816 -0.961) 1.895 12.352 ( 9.663 5.579 0.028) 11.158 12.403 ( 8.590 4.960 -0.586) 9.937 31.853 ( -1.296 -0.748 -0.211) 1.511 31.935 ( -1.466 -0.847 0.290) 1.718 32.003 ( 0.352 0.203 -0.729) 0.835 32.063 ( -0.006 -0.003 0.074) 0.075 32.858 ( -0.608 -0.351 0.034) 0.703 32.901 ( -3.047 -1.759 0.535) 3.559 36.301 ( 0.240 0.139 -0.247) 0.371 36.321 ( 0.804 0.464 0.026) 0.929 36.408 ( -0.540 -0.312 0.220) 0.662 36.453 ( -0.604 -0.349 0.085) 0.703 68.824 ( -0.484 -0.280 0.275) 0.623 68.852 ( -0.880 -0.508 -0.395) 1.090 70.143 ( 0.652 0.376 -0.044) 0.754 70.300 ( -0.169 -0.097 0.143) 0.242 70.710 ( 6.643 3.835 -2.622) 8.106 70.824 ( 6.049 3.493 -2.676) 7.480 71.690 ( -4.594 -2.652 3.399) 6.300 71.892 ( -4.228 -2.441 0.424) 4.901 ======================= Grid point 558 (177/231) ======================= q-point: ( 0.62 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 17.745 10.245 -19.051) 27.978 2.434 ( 7.276 4.201 11.871) 14.543 2.977 ( -2.690 -1.553 -0.415) 3.134 3.037 ( 11.960 6.905 -10.928) 17.611 4.162 ( -4.135 -2.387 4.628) 6.649 4.793 ( -2.152 -1.242 11.995) 12.249 5.063 ( 2.940 1.698 -12.227) 12.689 5.850 ( -3.689 -2.130 -5.914) 7.288 6.002 ( -9.248 -5.339 -4.757) 11.691 6.834 ( 0.025 0.015 3.561) 3.561 7.109 ( 4.608 2.660 -2.643) 5.941 7.707 ( 3.237 1.869 5.961) 7.036 10.247 ( -1.342 -0.775 -3.643) 3.959 11.289 ( 13.167 7.602 0.820) 15.226 11.916 ( 1.618 0.934 3.768) 4.206 12.030 ( -4.263 -2.461 0.084) 4.923 12.546 ( 7.020 4.053 0.155) 8.108 12.575 ( 6.355 3.669 -0.502) 7.356 31.824 ( -1.079 -0.623 -0.555) 1.363 31.908 ( -0.973 -0.562 0.594) 1.271 32.008 ( 0.333 0.192 -0.393) 0.550 32.062 ( -0.112 -0.065 0.267) 0.296 32.840 ( -2.305 -1.331 0.006) 2.661 32.851 ( -0.020 -0.011 0.170) 0.171 36.304 ( 0.137 0.079 -0.332) 0.368 36.342 ( 0.938 0.541 0.082) 1.086 36.398 ( -0.353 -0.204 0.341) 0.532 36.435 ( -0.948 -0.547 0.002) 1.094 68.818 ( -0.115 -0.066 0.242) 0.276 68.834 ( -0.656 -0.379 -0.238) 0.794 70.158 ( 0.698 0.403 -0.075) 0.809 70.294 ( -0.327 -0.189 0.131) 0.400 70.831 ( 4.857 2.804 -4.040) 6.912 70.946 ( 5.064 2.924 0.006) 5.847 71.591 ( -4.760 -2.748 1.490) 5.694 71.814 ( -2.727 -1.574 1.041) 3.317 ======================= Grid point 559 (178/231) ======================= q-point: ( 0.69 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 15.562 8.985 -20.980) 27.624 2.615 ( 4.146 2.394 11.476) 12.435 2.899 ( -3.748 -2.164 0.626) 4.373 3.257 ( 9.678 5.588 -10.712) 15.480 4.024 ( -7.505 -4.333 4.583) 9.803 4.728 ( -7.891 -4.556 16.308) 18.681 5.095 ( 3.803 2.196 -11.814) 12.603 5.666 ( -7.090 -4.094 -12.794) 15.189 5.921 ( 0.972 0.561 -1.778) 2.103 6.817 ( -2.337 -1.349 2.041) 3.384 7.213 ( 3.727 2.152 1.350) 4.510 7.791 ( 3.073 1.774 3.331) 4.866 10.192 ( -1.904 -1.099 -5.099) 5.553 11.558 ( 9.977 5.760 -0.296) 11.524 11.898 ( -7.404 -4.275 1.197) 8.633 11.974 ( 1.884 1.088 4.996) 5.449 12.658 ( 2.481 1.433 0.136) 2.868 12.677 ( 2.615 1.510 -0.324) 3.037 31.802 ( -0.567 -0.327 -0.668) 0.936 31.896 ( -0.264 -0.152 0.677) 0.742 32.016 ( 0.472 0.272 -0.201) 0.581 32.060 ( -0.122 -0.071 0.349) 0.377 32.798 ( -1.303 -0.752 -0.021) 1.504 32.857 ( 0.450 0.260 0.037) 0.521 36.304 ( -0.014 -0.008 -0.395) 0.395 36.364 ( 0.934 0.539 0.163) 1.091 36.395 ( -0.058 -0.034 0.425) 0.430 36.411 ( -1.076 -0.621 -0.112) 1.247 68.819 ( -0.047 -0.027 0.092) 0.106 68.822 ( -0.157 -0.091 0.006) 0.182 70.171 ( 0.392 0.226 -0.108) 0.465 70.288 ( -0.226 -0.130 0.142) 0.297 70.890 ( 1.521 0.878 -3.835) 4.218 71.051 ( 3.938 2.274 0.383) 4.564 71.498 ( -3.413 -1.971 0.719) 4.006 71.775 ( -1.070 -0.618 1.143) 1.684 ======================= Grid point 560 (179/231) ======================= q-point: (-0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 10.036 5.794 -21.385) 24.323 2.632 ( -7.523 -4.343 11.959) 14.781 2.883 ( 3.097 1.788 0.211) 3.583 3.345 ( 1.508 0.871 -11.767) 11.895 3.921 ( -2.904 -1.677 5.533) 6.470 4.579 ( -10.641 -6.144 17.711) 21.556 5.139 ( 3.840 2.217 -12.052) 12.841 5.504 ( -2.492 -1.439 -11.038) 11.407 5.966 ( 3.638 2.100 -3.719) 5.610 6.751 ( -3.999 -2.309 2.086) 5.067 7.263 ( -0.105 -0.061 1.687) 1.692 7.882 ( 3.768 2.176 3.407) 5.526 10.129 ( -1.799 -1.039 -4.991) 5.406 11.629 ( -8.250 -4.763 -0.416) 9.535 11.809 ( 3.879 2.239 1.237) 4.646 12.034 ( 1.635 0.944 4.882) 5.234 12.657 ( -2.525 -1.458 0.042) 2.916 12.685 ( -1.928 -1.113 -0.178) 2.233 31.794 ( 0.063 0.036 -0.629) 0.633 31.902 ( 0.537 0.310 0.623) 0.880 32.027 ( 0.541 0.312 -0.242) 0.670 32.061 ( 0.063 0.036 0.433) 0.439 32.781 ( -0.212 -0.122 -0.046) 0.249 32.872 ( 0.805 0.465 0.059) 0.932 36.301 ( -0.116 -0.067 -0.381) 0.404 36.378 ( -0.435 -0.251 0.419) 0.654 36.393 ( 0.208 0.120 -0.386) 0.454 36.398 ( 0.210 0.121 0.413) 0.479 68.815 ( -0.126 -0.073 0.066) 0.160 68.829 ( 0.460 0.266 0.040) 0.533 70.173 ( -0.165 -0.095 -0.099) 0.214 70.287 ( 0.081 0.047 0.139) 0.168 70.866 ( -2.480 -1.432 -2.894) 4.071 71.118 ( 1.940 1.120 -1.000) 2.453 71.454 ( -0.768 -0.444 1.261) 1.541 71.777 ( 0.880 0.508 1.041) 1.454 ======================= Grid point 567 (180/231) ======================= q-point: ( 0.31 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 -9.682 31.627) 33.075 1.554 ( 0.000 10.610 29.722) 31.559 2.278 ( 0.000 31.617 31.574) 44.682 2.940 ( -0.000 -0.597 -13.291) 13.305 2.975 ( -0.000 0.718 -14.379) 14.397 4.385 ( -0.000 -1.126 -24.103) 24.129 4.971 ( -0.000 -2.779 -7.543) 8.039 5.265 ( -0.000 17.920 -12.265) 21.716 6.489 ( 0.000 3.748 8.207) 9.023 6.498 ( 0.000 3.886 8.856) 9.671 7.475 ( 0.000 -8.340 12.654) 15.155 8.190 ( 0.000 -8.819 -3.885) 9.637 10.094 ( 0.000 -0.678 5.288) 5.332 10.226 ( -0.000 9.073 3.755) 9.819 11.780 ( -0.000 4.577 -0.683) 4.627 11.838 ( -0.000 4.354 -0.054) 4.355 11.980 ( -0.000 -0.782 -4.447) 4.515 12.052 ( -0.000 2.589 -4.855) 5.502 31.900 ( 0.000 -0.946 0.847) 1.270 31.952 ( -0.000 3.074 -0.562) 3.125 32.046 ( -0.000 -0.173 -0.697) 0.718 32.047 ( -0.000 -0.606 -0.677) 0.909 32.970 ( 0.000 -2.202 -0.272) 2.219 33.104 ( 0.000 -2.875 1.497) 3.242 36.284 ( -0.000 0.009 -0.191) 0.191 36.289 ( -0.000 0.382 -0.199) 0.430 36.443 ( 0.000 -0.167 0.064) 0.179 36.445 ( 0.000 0.099 0.125) 0.159 68.872 ( 0.000 -0.529 0.553) 0.765 68.941 ( 0.000 -2.011 -0.335) 2.039 70.131 ( -0.000 0.135 -0.188) 0.232 70.212 ( -0.000 5.818 -2.651) 6.393 70.287 ( 0.000 0.214 0.409) 0.462 70.371 ( -0.000 9.130 -1.614) 9.271 72.006 ( 0.000 -5.869 2.927) 6.558 72.157 ( 0.000 -2.262 -0.039) 2.262 ======================= Grid point 568 (181/231) ======================= q-point: ( 0.38 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -2.116 3.695 22.548) 22.947 1.773 ( 0.470 13.323 25.496) 28.771 2.737 ( 4.678 3.188 -9.773) 11.294 2.912 ( 6.176 4.829 -4.370) 8.975 3.034 ( 8.745 17.579 8.552) 21.416 4.337 ( 4.313 0.648 -17.016) 17.566 5.016 ( 7.489 -1.048 -8.676) 11.508 5.451 ( 8.082 15.055 -13.464) 21.755 6.539 ( 0.480 -0.520 9.432) 9.458 6.648 ( 7.692 3.466 5.910) 10.301 7.362 ( -6.614 -11.058 11.682) 17.392 7.980 ( -13.059 -4.550 -3.565) 14.281 10.159 ( 5.196 -0.201 4.856) 7.115 10.346 ( 1.604 10.309 2.609) 10.754 11.868 ( 3.989 6.108 -0.759) 7.334 11.883 ( -0.592 3.926 -1.369) 4.200 11.991 ( 3.409 2.710 -1.995) 4.790 12.074 ( 1.238 2.593 -4.233) 5.116 31.895 ( 0.255 -1.390 0.739) 1.594 31.978 ( 0.110 2.492 -1.223) 2.778 32.021 ( -1.189 -0.784 -0.517) 1.515 32.052 ( 0.548 -0.191 -0.574) 0.816 32.934 ( -1.259 -2.333 0.076) 2.652 33.064 ( -1.805 -2.826 1.527) 3.684 36.286 ( 0.253 0.056 -0.140) 0.295 36.294 ( 0.080 0.504 -0.169) 0.537 36.436 ( -0.364 -0.237 0.098) 0.445 36.452 ( 0.487 -0.048 0.101) 0.500 68.864 ( -0.512 -0.690 0.555) 1.023 68.912 ( -0.783 -1.746 -0.454) 1.967 70.131 ( -0.194 0.458 -0.109) 0.509 70.272 ( 1.396 0.625 -0.547) 1.624 70.336 ( 4.835 4.092 -1.657) 6.547 70.486 ( 3.046 10.014 -3.648) 11.084 71.929 ( -3.266 -5.386 4.392) 7.679 72.113 ( -1.953 -3.164 -0.107) 3.719 ======================= Grid point 569 (182/231) ======================= q-point: ( 0.46 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 4.591 11.186 6.781) 13.863 2.017 ( 2.302 13.073 20.220) 24.188 2.661 ( 1.676 -2.017 -20.412) 20.580 2.979 ( 3.860 2.142 -9.661) 10.622 3.611 ( 17.451 20.409 18.897) 32.835 4.415 ( 8.998 1.010 -7.717) 11.897 5.075 ( 1.087 5.114 -9.411) 10.766 5.703 ( 13.423 6.158 -11.779) 18.891 6.508 ( -0.669 -14.147 6.674) 15.656 6.800 ( 0.791 3.304 0.162) 3.401 7.209 ( -2.853 -5.191 12.277) 13.631 7.702 ( -14.259 1.043 -1.713) 14.400 10.271 ( 3.223 3.070 3.199) 5.482 10.518 ( 7.775 7.727 1.752) 11.101 11.881 ( -1.232 2.209 -0.921) 2.691 12.025 ( 6.603 4.912 -1.200) 8.317 12.113 ( 1.811 4.442 -2.474) 5.397 12.128 ( 6.663 6.290 -0.567) 9.181 31.883 ( -0.293 -1.580 0.416) 1.660 31.983 ( -1.046 -0.744 -0.753) 1.488 31.999 ( -0.398 1.338 -0.556) 1.502 32.056 ( 0.385 -0.136 -0.387) 0.563 32.892 ( -1.251 -1.732 0.169) 2.143 33.003 ( -2.607 -2.658 1.086) 3.878 36.292 ( 0.350 0.172 -0.127) 0.410 36.301 ( 0.268 0.509 -0.099) 0.584 36.427 ( -0.511 -0.294 0.139) 0.605 36.458 ( 0.272 -0.286 0.071) 0.401 68.847 ( -0.764 -0.682 0.468) 1.126 68.882 ( -0.780 -1.240 -0.567) 1.571 70.134 ( -0.110 0.678 -0.019) 0.687 70.288 ( 0.880 -0.422 0.126) 0.984 70.477 ( 6.555 4.876 -2.098) 8.434 70.628 ( 4.568 8.095 -3.879) 10.072 71.837 ( -3.822 -4.236 4.550) 7.297 72.031 ( -3.418 -3.788 -0.138) 5.104 ======================= Grid point 570 (183/231) ======================= q-point: ( 0.54 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 10.362 12.002 -7.029) 17.345 2.254 ( 3.034 11.930 15.562) 19.842 2.663 ( 7.352 0.463 -14.706) 16.448 3.032 ( 1.752 4.973 -6.528) 8.391 4.055 ( 9.609 10.139 9.557) 16.925 4.582 ( 10.925 -0.676 0.171) 10.948 5.096 ( -2.579 9.119 -8.650) 12.831 5.886 ( 6.131 -0.145 -5.376) 8.155 6.296 ( -3.901 -17.810 -2.758) 18.440 6.742 ( -2.858 -4.579 2.443) 5.925 7.232 ( -4.805 9.073 0.466) 10.277 7.578 ( -0.626 0.031 7.000) 7.028 10.331 ( -2.152 6.195 -0.209) 6.561 10.779 ( 14.471 4.445 1.758) 15.240 11.890 ( -0.319 2.016 1.592) 2.589 12.093 ( 0.812 0.306 -2.300) 2.458 12.269 ( 7.556 8.084 0.017) 11.066 12.317 ( 7.719 6.644 -0.523) 10.198 31.859 ( -0.771 -1.518 -0.065) 1.704 31.950 ( -1.311 -1.146 0.072) 1.743 32.006 ( -0.215 1.082 -0.561) 1.237 32.060 ( 0.283 -0.130 -0.101) 0.327 32.862 ( -0.675 -1.038 0.008) 1.238 32.934 ( -2.853 -2.380 0.656) 3.772 36.299 ( 0.209 0.353 -0.207) 0.459 36.313 ( 0.628 0.415 0.018) 0.753 36.415 ( -0.566 -0.308 0.212) 0.678 36.455 ( -0.170 -0.542 0.016) 0.568 68.831 ( -0.613 -0.493 0.347) 0.860 68.857 ( -0.662 -0.903 -0.474) 1.216 70.141 ( 0.175 0.698 0.010) 0.719 70.297 ( 0.407 -0.258 0.135) 0.500 70.628 ( 6.459 4.699 -2.633) 8.410 70.768 ( 4.900 6.115 -2.240) 8.150 71.748 ( -4.040 -3.432 3.367) 6.280 71.929 ( -3.746 -3.957 0.131) 5.451 ======================= Grid point 571 (184/231) ======================= q-point: ( 0.62 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 14.136 10.830 -14.251) 22.808 2.474 ( 3.206 11.108 12.701) 17.175 2.782 ( 10.160 -0.515 -8.429) 13.211 3.089 ( -0.197 8.951 -4.486) 10.014 4.209 ( -0.496 0.869 4.212) 4.329 4.727 ( 7.518 -4.628 3.611) 9.538 5.099 ( -4.100 8.622 -6.948) 11.808 5.847 ( -2.544 -5.608 -2.516) 6.652 6.066 ( -6.641 -8.276 -6.880) 12.647 6.741 ( 7.098 -3.955 1.815) 8.326 7.207 ( -7.539 10.794 -2.356) 13.375 7.662 ( 5.282 -1.814 7.919) 9.690 10.325 ( -5.182 6.985 -3.261) 9.289 11.090 ( 16.267 3.004 1.540) 16.613 11.917 ( 0.476 0.609 3.499) 3.583 12.079 ( -2.105 0.605 -0.925) 2.377 12.470 ( 7.291 5.862 0.146) 9.356 12.502 ( 6.848 5.240 -0.472) 8.636 31.829 ( -0.870 -1.267 -0.437) 1.598 31.920 ( -1.011 -0.982 0.458) 1.483 32.010 ( -0.139 0.746 -0.327) 0.826 32.062 ( 0.119 -0.126 0.159) 0.235 32.847 ( -0.178 -0.534 -0.472) 0.735 32.869 ( -2.404 -1.837 0.713) 3.109 36.304 ( 0.040 0.408 -0.305) 0.511 36.331 ( 0.910 0.403 0.107) 1.001 36.404 ( -0.455 -0.269 0.307) 0.611 36.442 ( -0.605 -0.740 -0.054) 0.957 68.821 ( -0.263 -0.282 0.283) 0.478 68.838 ( -0.530 -0.677 -0.313) 0.915 70.153 ( 0.445 0.552 -0.016) 0.709 70.298 ( -0.099 0.017 0.111) 0.150 70.762 ( 5.318 4.105 -3.447) 7.551 70.897 ( 4.678 4.490 -0.291) 6.491 71.652 ( -4.726 -2.950 1.615) 5.800 71.838 ( -2.584 -3.530 0.773) 4.443 ======================= Grid point 572 (185/231) ======================= q-point: ( 0.69 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 15.116 9.154 -17.557) 24.911 2.669 ( 1.976 9.070 11.531) 14.803 2.876 ( 4.203 -2.575 -2.211) 5.402 3.189 ( 2.822 10.801 -6.868) 13.107 4.123 ( -7.246 -4.164 2.830) 8.823 4.776 ( 2.225 -7.401 9.304) 12.095 5.076 ( -3.004 5.646 -7.579) 9.917 5.719 ( -6.390 -2.001 -10.558) 12.502 5.894 ( -1.661 -4.068 -2.614) 5.113 6.844 ( 3.264 1.278 1.419) 3.782 7.199 ( -1.195 4.103 0.427) 4.295 7.750 ( 4.083 -1.082 4.591) 6.238 10.277 ( -6.478 7.136 -4.867) 10.797 11.386 ( 14.514 2.017 0.985) 14.686 11.909 ( -1.754 -5.106 2.478) 5.941 12.051 ( -2.770 4.124 2.158) 5.416 12.617 ( 4.506 2.681 0.164) 5.246 12.637 ( 4.231 2.836 -0.381) 5.107 31.804 ( -0.576 -0.870 -0.578) 1.193 31.901 ( -0.449 -0.673 0.593) 1.003 32.015 ( 0.087 0.591 -0.188) 0.626 32.063 ( -0.039 -0.071 0.294) 0.305 32.815 ( -1.676 -1.008 -0.227) 1.969 32.850 ( 0.372 -0.339 0.266) 0.569 36.306 ( -0.131 0.366 -0.373) 0.538 36.352 ( 1.039 0.420 0.170) 1.134 36.397 ( -0.187 -0.172 0.379) 0.456 36.420 ( -0.892 -0.833 -0.115) 1.226 68.818 ( 0.078 -0.135 0.212) 0.263 68.823 ( -0.339 -0.478 -0.141) 0.603 70.165 ( 0.483 0.244 -0.066) 0.545 70.296 ( -0.408 0.314 0.110) 0.527 70.857 ( 2.929 2.939 -3.474) 5.411 71.010 ( 3.989 3.045 0.363) 5.032 71.549 ( -4.467 -2.194 0.608) 5.014 71.781 ( -0.940 -2.692 1.072) 3.046 ======================= Grid point 573 (186/231) ======================= q-point: (-0.23 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 12.797 6.662 -20.328) 24.927 2.747 ( -3.792 -2.189 10.596) 11.465 2.918 ( 0.014 8.126 1.909) 8.348 3.290 ( 2.063 4.437 -9.944) 11.082 3.979 ( -4.931 -3.743 4.068) 7.407 4.721 ( -5.110 -7.642 15.114) 17.691 5.071 ( 1.058 3.404 -9.769) 10.399 5.556 ( -6.782 3.496 -11.985) 14.208 5.880 ( 3.712 -3.030 -2.749) 5.524 6.857 ( -4.842 4.355 0.716) 6.551 7.235 ( 2.355 -1.868 2.261) 3.761 7.827 ( 4.547 -0.394 2.706) 5.306 10.216 ( -6.673 7.325 -4.856) 11.035 11.608 ( 8.005 -0.058 -0.737) 8.039 11.782 ( -4.089 -7.585 2.724) 9.037 12.080 ( -1.031 4.571 3.642) 5.935 12.670 ( 0.142 -0.175 0.102) 0.247 12.690 ( 0.404 -0.058 -0.287) 0.499 31.790 ( -0.045 -0.404 -0.549) 0.683 31.897 ( 0.307 -0.302 0.569) 0.713 32.023 ( 0.304 0.473 -0.199) 0.597 32.063 ( -0.038 0.060 0.349) 0.356 32.787 ( -0.751 -0.323 -0.025) 0.818 32.859 ( 0.857 -0.103 0.021) 0.864 36.304 ( -0.271 0.302 -0.368) 0.547 36.374 ( 0.933 0.363 0.292) 1.043 36.395 ( -0.659 -0.695 -0.115) 0.965 36.398 ( -0.127 -0.143 0.267) 0.328 68.815 ( -0.121 -0.299 0.011) 0.323 68.823 ( 0.388 -0.022 0.092) 0.400 70.171 ( 0.190 -0.123 -0.099) 0.247 70.293 ( -0.394 0.533 0.120) 0.673 70.884 ( -0.927 1.122 -2.742) 3.104 71.089 ( 2.531 1.528 -0.601) 3.017 71.477 ( -2.183 -0.707 0.852) 2.447 71.761 ( 0.772 -1.585 1.012) 2.033 ======================= Grid point 581 (187/231) ======================= q-point: ( 0.38 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.000 7.495 18.700) 20.146 2.011 ( 0.000 13.991 24.517) 28.228 2.668 ( -0.000 -2.293 -19.257) 19.393 2.835 ( -0.000 0.814 -14.382) 14.405 3.244 ( 0.000 29.508 20.763) 36.081 4.261 ( -0.000 3.346 -12.589) 13.026 4.867 ( -0.000 -2.569 -5.852) 6.391 5.543 ( -0.000 18.579 -10.497) 21.339 6.543 ( 0.000 -8.169 9.199) 12.302 6.631 ( 0.000 4.702 6.501) 8.023 7.335 ( 0.000 -13.464 10.165) 16.870 8.038 ( -0.000 -1.670 -8.187) 8.355 10.121 ( 0.000 -0.768 5.199) 5.256 10.464 ( -0.000 12.670 1.784) 12.796 11.896 ( -0.000 7.039 -1.047) 7.116 11.956 ( -0.000 0.771 -1.673) 1.842 11.963 ( -0.000 8.448 -0.676) 8.475 12.080 ( -0.000 4.131 -3.983) 5.738 31.882 ( 0.000 -1.414 0.847) 1.649 31.996 ( -0.000 1.913 -1.469) 2.412 32.023 ( 0.000 -1.259 -0.625) 1.406 32.042 ( -0.000 0.363 -0.284) 0.461 32.919 ( 0.000 -2.701 0.167) 2.706 33.053 ( 0.000 -3.325 1.176) 3.527 36.284 ( -0.000 0.098 -0.084) 0.129 36.298 ( -0.000 0.634 -0.172) 0.657 36.437 ( 0.000 -0.367 -0.006) 0.367 36.447 ( 0.000 -0.031 0.321) 0.323 68.863 ( 0.000 -0.818 0.576) 1.001 68.898 ( 0.000 -1.923 -0.504) 1.988 70.133 ( -0.000 0.200 -0.226) 0.302 70.295 ( 0.000 0.274 0.308) 0.412 70.313 ( -0.000 6.491 -1.326) 6.625 70.551 ( -0.000 10.396 -3.963) 11.125 71.913 ( 0.000 -6.059 3.909) 7.211 72.094 ( 0.000 -3.929 -0.150) 3.932 ======================= Grid point 582 (188/231) ======================= q-point: ( 0.46 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -1.561 11.235 8.724) 14.310 2.227 ( -0.793 14.160 19.608) 24.199 2.543 ( 0.027 -2.666 -20.522) 20.695 2.862 ( 6.453 2.151 -12.847) 14.537 3.688 ( 8.221 25.872 17.415) 32.253 4.300 ( 3.810 4.532 -5.417) 8.025 4.939 ( 11.437 -1.118 -5.451) 12.719 5.664 ( -0.801 14.654 -8.713) 17.067 6.431 ( -3.099 -16.587 8.105) 18.720 6.763 ( 5.805 3.496 3.570) 7.659 7.215 ( -1.970 -10.585 9.502) 14.360 7.916 ( -9.503 1.991 -8.488) 12.896 10.194 ( 6.748 -0.223 4.792) 8.279 10.587 ( -1.113 12.847 0.402) 12.902 11.936 ( -2.145 2.520 0.123) 3.312 11.985 ( 3.218 5.255 -2.511) 6.654 12.098 ( 4.574 8.583 -0.865) 9.764 12.131 ( 1.444 6.691 -1.859) 7.093 31.871 ( -0.044 -1.642 0.700) 1.785 31.991 ( -1.022 -0.733 -0.919) 1.557 32.013 ( 0.124 0.617 -0.793) 1.013 32.049 ( 0.187 0.378 -0.261) 0.496 32.889 ( -0.630 -2.277 0.264) 2.378 33.012 ( -1.352 -3.299 0.760) 3.645 36.288 ( 0.281 0.155 -0.014) 0.321 36.304 ( 0.028 0.696 -0.171) 0.717 36.431 ( -0.280 -0.381 0.042) 0.475 36.450 ( 0.242 -0.254 0.278) 0.447 68.853 ( -0.464 -0.830 0.544) 1.095 68.875 ( -0.336 -1.501 -0.592) 1.649 70.138 ( 0.281 0.365 -0.151) 0.485 70.285 ( -0.621 0.671 0.172) 0.930 70.426 ( 4.710 6.012 -0.860) 7.685 70.649 ( 1.720 9.262 -3.773) 10.147 71.853 ( -1.798 -5.534 3.677) 6.883 72.035 ( -1.911 -4.432 -0.225) 4.832 ======================= Grid point 583 (189/231) ======================= q-point: ( 0.54 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 1.628 11.233 -3.338) 11.831 2.388 ( 1.073 9.032 3.346) 9.691 2.545 ( 3.680 6.133 -1.642) 7.338 2.975 ( 7.177 4.932 -9.589) 12.953 4.070 ( 6.207 14.098 7.678) 17.212 4.433 ( 7.143 4.042 1.052) 8.275 5.123 ( 8.355 4.498 -4.196) 10.375 5.765 ( 3.887 6.842 -5.757) 9.750 6.184 ( -5.626 -20.466 4.131) 21.624 6.778 ( -4.563 -4.686 -0.386) 6.552 7.256 ( 7.975 1.226 8.420) 11.662 7.728 ( -11.608 3.064 -5.138) 13.059 10.363 ( 8.279 3.160 3.343) 9.472 10.686 ( 0.767 9.539 -0.926) 9.614 11.933 ( -1.397 2.036 2.006) 3.182 12.062 ( 2.610 2.289 -3.436) 4.885 12.255 ( 4.293 9.226 -0.364) 10.182 12.274 ( 5.740 8.534 -0.242) 10.287 31.852 ( -0.408 -1.728 0.315) 1.803 31.958 ( -1.163 -1.233 -0.308) 1.722 32.019 ( -0.072 0.788 -0.560) 0.969 32.053 ( 0.187 0.151 -0.196) 0.310 32.860 ( -0.554 -1.545 0.212) 1.654 32.952 ( -2.077 -2.966 0.377) 3.640 36.296 ( 0.459 0.282 0.013) 0.538 36.312 ( 0.111 0.649 -0.155) 0.676 36.421 ( -0.444 -0.380 0.126) 0.598 36.450 ( 0.049 -0.554 0.135) 0.572 68.837 ( -0.610 -0.671 0.419) 0.999 68.854 ( -0.391 -1.082 -0.520) 1.263 70.146 ( 0.138 0.517 -0.030) 0.536 70.289 ( 0.271 0.329 0.141) 0.449 70.569 ( 5.457 5.772 -1.193) 8.033 70.761 ( 2.905 7.592 -2.553) 8.520 71.778 ( -2.495 -4.658 2.969) 6.061 71.945 ( -3.153 -4.678 -0.216) 5.646 ======================= Grid point 584 (190/231) ======================= q-point: ( 0.62 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 7.540 10.430 -9.651) 16.086 2.517 ( 6.374 4.861 -3.176) 8.622 2.708 ( 2.121 11.581 8.384) 14.454 3.116 ( 5.048 8.015 -6.731) 11.621 4.236 ( 1.411 3.563 2.810) 4.752 4.579 ( 5.909 -0.745 1.998) 6.282 5.231 ( -1.585 7.668 -3.811) 8.709 5.819 ( -1.481 -5.091 0.495) 5.325 5.974 ( 2.358 -10.753 -3.503) 11.552 6.655 ( -1.279 -2.435 -0.720) 2.843 7.431 ( -0.985 9.743 -0.496) 9.805 7.580 ( -1.411 -4.248 4.026) 6.020 10.495 ( -2.533 10.543 -1.149) 10.903 10.847 ( 12.432 2.119 0.814) 12.638 11.935 ( -0.877 -0.232 2.802) 2.945 12.102 ( 0.649 2.669 -1.795) 3.281 12.425 ( 5.471 7.296 0.005) 9.119 12.451 ( 5.779 7.023 -0.244) 9.098 31.827 ( -0.660 -1.556 -0.094) 1.693 31.927 ( -0.995 -1.191 0.122) 1.556 32.021 ( -0.290 0.657 -0.285) 0.773 32.058 ( 0.274 0.015 0.002) 0.274 32.842 ( -0.192 -0.903 -0.006) 0.923 32.890 ( -2.166 -2.364 0.245) 3.215 36.307 ( 0.231 0.550 -0.134) 0.612 36.321 ( 0.529 0.435 0.001) 0.685 36.410 ( -0.474 -0.369 0.207) 0.635 36.441 ( -0.309 -0.798 -0.002) 0.856 68.824 ( -0.417 -0.453 0.311) 0.690 68.836 ( -0.378 -0.813 -0.362) 0.967 70.153 ( 0.164 0.465 0.010) 0.494 70.298 ( 0.294 0.364 0.092) 0.477 70.709 ( 5.047 5.270 -1.879) 7.535 70.875 ( 3.496 5.738 -0.906) 6.780 71.697 ( -3.310 -3.621 1.715) 5.197 71.844 ( -2.902 -4.691 0.156) 5.518 ======================= Grid point 585 (191/231) ======================= q-point: ( 0.69 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 11.322 9.903 -11.714) 19.065 2.657 ( 7.371 0.148 -1.609) 7.546 2.892 ( 0.559 13.837 9.760) 16.942 3.241 ( 2.091 9.364 -6.417) 11.542 4.212 ( -5.810 -2.002 0.869) 6.206 4.637 ( 5.646 -7.693 3.992) 10.344 5.208 ( -6.073 5.549 -3.051) 8.774 5.735 ( -1.326 -2.741 -0.866) 3.166 5.882 ( -3.201 -5.185 -7.720) 9.835 6.739 ( 8.881 2.598 1.395) 9.358 7.351 ( -9.876 4.204 -2.344) 10.986 7.661 ( 6.604 -2.191 5.655) 8.966 10.496 ( -8.661 12.972 -4.098) 16.127 11.125 ( 17.008 -0.238 2.005) 17.128 11.903 ( -1.933 -4.273 1.957) 5.082 12.130 ( -0.874 4.134 0.718) 4.286 12.569 ( 4.621 3.906 0.041) 6.051 12.595 ( 4.380 4.253 -0.235) 6.110 31.801 ( -0.567 -1.174 -0.323) 1.343 31.903 ( -0.608 -0.983 0.349) 1.207 32.022 ( -0.203 0.554 -0.176) 0.615 32.062 ( 0.161 0.006 0.191) 0.250 32.829 ( -0.983 -0.756 -0.740) 1.444 32.843 ( -0.539 -1.317 0.790) 1.628 36.313 ( -0.158 0.683 -0.307) 0.765 36.339 ( 0.979 0.310 0.173) 1.042 36.401 ( -0.309 -0.325 0.262) 0.519 36.424 ( -0.641 -0.925 -0.084) 1.128 68.817 ( -0.100 -0.306 0.231) 0.396 68.823 ( -0.288 -0.604 -0.202) 0.699 70.160 ( 0.277 0.223 -0.018) 0.357 70.305 ( -0.083 0.604 0.065) 0.613 70.825 ( 3.672 4.480 -2.234) 6.208 70.981 ( 3.379 3.852 0.076) 5.125 71.605 ( -4.295 -2.409 0.467) 4.946 71.765 ( -1.126 -4.321 0.738) 4.526 ======================= Grid point 586 (192/231) ======================= q-point: ( 0.77 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 11.050 8.731 -14.995) 20.571 2.739 ( 3.740 -3.832 3.159) 6.217 3.066 ( -1.122 14.447 9.555) 17.357 3.306 ( -0.846 6.705 -9.193) 11.409 4.052 ( -7.552 -4.164 0.625) 8.646 4.668 ( 5.277 -9.920 7.628) 13.581 5.139 ( -6.063 4.386 -1.947) 7.732 5.684 ( -5.615 6.140 -8.108) 11.618 5.777 ( 1.255 -5.175 -4.094) 6.716 6.923 ( 5.217 5.512 0.739) 7.625 7.226 ( -4.827 -1.962 0.404) 5.226 7.752 ( 4.281 -1.333 3.118) 5.461 10.448 ( -9.952 13.391 -4.398) 17.254 11.404 ( 14.625 -0.767 1.458) 14.718 11.791 ( -4.650 -8.036 1.559) 9.414 12.160 ( -1.326 4.386 2.039) 5.016 12.652 ( 2.172 0.970 0.106) 2.381 12.674 ( 1.767 1.063 -0.325) 2.088 31.784 ( -0.168 -0.686 -0.366) 0.795 31.891 ( -0.008 -0.693 0.403) 0.802 32.024 ( 0.015 0.474 -0.186) 0.509 32.065 ( 0.034 0.059 0.275) 0.284 32.799 ( -1.070 -0.475 -0.165) 1.182 32.842 ( 0.696 -0.573 0.154) 0.915 36.313 ( -0.374 0.643 -0.329) 0.814 36.361 ( 1.112 0.287 0.233) 1.172 36.395 ( -0.114 -0.344 0.180) 0.405 36.402 ( -0.732 -0.821 -0.029) 1.100 68.813 ( -0.122 -0.408 -0.051) 0.429 68.816 ( 0.217 -0.224 0.124) 0.336 70.166 ( 0.247 -0.077 -0.057) 0.265 70.308 ( -0.422 0.795 0.061) 0.902 70.897 ( 0.893 3.156 -1.972) 3.827 71.061 ( 2.509 2.024 -0.211) 3.231 71.520 ( -3.448 -0.934 0.278) 3.583 71.727 ( 0.731 -3.396 0.872) 3.582 ======================= Grid point 595 (193/231) ======================= q-point: ( 0.46 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -0.000 9.704 1.851) 9.879 2.440 ( 0.000 12.336 17.255) 21.211 2.455 ( -0.000 0.479 -17.588) 17.594 2.767 ( -0.000 3.363 -13.005) 13.432 3.938 ( -0.000 23.808 12.073) 26.694 4.331 ( -0.000 8.588 1.984) 8.814 4.787 ( -0.000 -1.944 -2.987) 3.564 5.808 ( -0.000 13.561 -5.971) 14.817 6.311 ( 0.000 -20.453 8.342) 22.089 6.760 ( 0.000 3.828 4.581) 5.970 7.148 ( 0.000 -10.588 5.460) 11.913 7.979 ( -0.000 1.990 -10.762) 10.944 10.139 ( 0.000 -1.410 5.069) 5.262 10.743 ( -0.000 14.914 -0.384) 14.919 11.981 ( 0.000 1.502 1.431) 2.075 11.992 ( -0.000 4.042 -3.944) 5.647 12.152 ( -0.000 11.105 -1.051) 11.155 12.190 ( -0.000 9.003 -0.700) 9.030 31.858 ( 0.000 -1.652 0.814) 1.841 31.990 ( 0.000 -1.600 -0.568) 1.697 32.006 ( -0.000 0.476 -1.220) 1.310 32.055 ( -0.000 0.842 -0.165) 0.858 32.872 ( 0.000 -2.191 0.395) 2.226 32.991 ( 0.000 -3.511 0.318) 3.525 36.287 ( -0.000 0.165 0.066) 0.178 36.311 ( -0.000 0.814 -0.193) 0.837 36.428 ( 0.000 -0.489 -0.115) 0.502 36.448 ( 0.000 -0.261 0.503) 0.567 68.850 ( 0.000 -0.868 0.544) 1.024 68.861 ( 0.000 -1.306 -0.600) 1.437 70.137 ( -0.000 0.401 -0.241) 0.468 70.301 ( 0.000 0.103 0.183) 0.210 70.449 ( -0.000 7.507 0.250) 7.511 70.712 ( -0.000 8.828 -3.598) 9.533 71.821 ( 0.000 -6.048 2.922) 6.717 72.006 ( 0.000 -4.658 -0.290) 4.667 ======================= Grid point 596 (194/231) ======================= q-point: ( 0.54 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -1.368 7.401 -7.131) 10.368 2.423 ( -1.175 7.198 -7.766) 10.654 2.629 ( 2.800 9.918 10.392) 14.636 2.846 ( 7.735 5.633 -8.688) 12.924 4.161 ( 1.430 11.169 2.912) 11.630 4.459 ( 0.178 11.646 6.790) 13.482 4.908 ( 14.346 0.694 0.403) 14.369 5.858 ( -3.876 8.259 -3.668) 9.833 6.091 ( -4.434 -21.497 7.519) 23.201 6.799 ( -2.116 -0.983 0.313) 2.354 7.136 ( 7.103 -2.730 5.358) 9.307 7.894 ( -7.027 1.975 -9.439) 11.931 10.217 ( 8.390 -1.131 4.779) 9.722 10.855 ( -3.734 14.786 -1.613) 15.336 11.982 ( -1.520 0.925 1.522) 2.341 12.034 ( 2.165 3.196 -3.465) 5.187 12.286 ( 2.876 10.589 -0.955) 11.015 12.301 ( 2.021 9.889 0.273) 10.097 31.843 ( -0.240 -1.679 0.646) 1.815 31.962 ( -0.907 -1.407 -0.500) 1.747 32.013 ( 0.673 0.125 -0.767) 1.028 32.059 ( -0.274 0.607 -0.169) 0.687 32.852 ( -0.260 -1.661 0.474) 1.747 32.948 ( -1.001 -3.264 -0.070) 3.415 36.292 ( 0.329 0.202 0.137) 0.410 36.318 ( -0.053 0.863 -0.219) 0.892 36.422 ( -0.140 -0.496 -0.106) 0.526 36.446 ( -0.057 -0.498 0.429) 0.660 68.840 ( -0.375 -0.778 0.418) 0.959 68.847 ( -0.173 -0.951 -0.495) 1.086 70.144 ( 0.382 0.442 -0.163) 0.607 70.296 ( -0.429 0.302 0.142) 0.543 70.555 ( 3.184 6.985 0.531) 7.695 70.792 ( 1.228 7.793 -2.779) 8.364 71.763 ( -0.875 -5.822 2.236) 6.297 71.942 ( -1.936 -4.611 -0.376) 5.015 ======================= Grid point 597 (195/231) ======================= q-point: ( 0.62 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 2.820 8.244 -7.622) 11.576 2.485 ( 1.047 8.385 -3.675) 9.215 2.824 ( 4.477 10.585 7.527) 13.738 3.032 ( 8.892 6.977 -5.420) 12.535 4.248 ( 1.196 1.763 1.516) 2.615 4.570 ( -0.704 6.248 2.384) 6.725 5.184 ( 11.971 2.696 0.196) 12.273 5.837 ( -0.380 -6.146 -1.476) 6.332 5.849 ( -5.598 -8.196 7.106) 12.207 6.699 ( -5.222 0.448 -3.828) 6.490 7.330 ( 11.755 -0.418 6.400) 13.391 7.730 ( -10.248 2.140 -7.016) 12.603 10.427 ( 13.978 0.406 4.036) 14.554 10.897 ( -6.248 13.326 -2.864) 14.994 11.960 ( -1.740 -1.079 1.452) 2.510 12.097 ( 2.471 3.327 -1.991) 4.598 12.429 ( 3.037 8.376 -0.370) 8.917 12.446 ( 3.671 8.501 0.149) 9.261 31.822 ( -0.527 -1.553 0.305) 1.668 31.931 ( -0.929 -1.257 -0.223) 1.579 32.022 ( 0.465 0.051 -0.342) 0.579 32.059 ( -0.204 0.411 -0.121) 0.475 32.836 ( -0.192 -1.089 0.440) 1.190 32.896 ( -1.479 -2.631 -0.269) 3.030 36.303 ( 0.603 0.280 0.174) 0.687 36.325 ( -0.089 0.842 -0.235) 0.878 36.413 ( -0.295 -0.482 -0.021) 0.566 36.438 ( -0.243 -0.764 0.221) 0.831 68.828 ( -0.438 -0.564 0.270) 0.763 68.833 ( -0.278 -0.718 -0.330) 0.837 70.154 ( 0.240 0.360 -0.044) 0.435 70.299 ( 0.176 0.460 0.069) 0.497 70.684 ( 3.957 6.163 0.115) 7.325 70.883 ( 2.093 6.317 -1.475) 6.816 71.699 ( -1.199 -5.055 1.501) 5.408 71.851 ( -3.180 -4.390 -0.382) 5.434 ======================= Grid point 598 (196/231) ======================= q-point: ( 0.69 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 7.389 10.086 -4.513) 13.293 2.572 ( 2.626 4.576 -2.510) 5.843 3.045 ( 3.763 12.953 9.066) 16.252 3.217 ( 6.826 6.744 -6.773) 11.745 4.259 ( -0.387 -2.376 1.345) 2.758 4.551 ( -3.330 -3.565 0.674) 4.925 5.295 ( 0.523 1.268 -2.341) 2.714 5.743 ( -2.317 -3.810 7.166) 8.440 5.810 ( 2.318 -4.295 -4.726) 6.794 6.683 ( 1.849 6.291 -1.747) 6.786 7.477 ( 1.258 -8.236 3.319) 8.968 7.593 ( -2.481 7.464 -2.598) 8.284 10.687 ( 8.076 6.941 1.207) 10.717 10.918 ( 0.591 7.133 -1.514) 7.316 11.905 ( -2.511 -4.071 0.967) 4.880 12.163 ( 1.631 3.547 -0.357) 3.920 12.547 ( 2.924 5.166 -0.092) 5.937 12.576 ( 3.215 5.430 0.003) 6.310 31.799 ( -0.587 -1.223 0.013) 1.356 31.905 ( -0.721 -1.056 0.018) 1.279 32.027 ( 0.078 0.130 -0.109) 0.187 32.061 ( 0.074 0.257 -0.005) 0.267 32.827 ( -0.014 -0.677 0.216) 0.711 32.848 ( -1.405 -1.789 -0.173) 2.282 36.318 ( 0.524 0.524 0.061) 0.744 36.331 ( 0.147 0.614 -0.115) 0.642 36.403 ( -0.326 -0.445 0.061) 0.555 36.424 ( -0.471 -0.932 0.041) 1.045 68.818 ( -0.280 -0.402 0.199) 0.528 68.821 ( -0.278 -0.534 -0.212) 0.638 70.159 ( 0.114 0.196 -0.000) 0.226 70.309 ( 0.344 0.610 0.023) 0.701 70.806 ( 3.596 5.314 -0.455) 6.432 70.972 ( 2.378 4.479 -0.349) 5.083 71.635 ( -1.831 -3.530 0.625) 4.025 71.753 ( -2.805 -4.300 -0.070) 5.135 ======================= Grid point 599 (197/231) ======================= q-point: ( 0.77 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 7.971 11.029 -5.665) 14.740 2.644 ( 3.906 -0.153 0.629) 3.959 3.248 ( 0.189 9.499 12.208) 15.470 3.334 ( 3.106 8.944 -10.918) 14.451 4.165 ( -8.588 -1.766 -2.123) 9.021 4.476 ( 4.755 -11.405 4.020) 12.994 5.274 ( -4.136 2.486 0.107) 4.827 5.678 ( -0.288 -6.764 1.468) 6.928 5.811 ( -1.614 6.709 -6.653) 9.585 6.847 ( 8.120 6.845 1.137) 10.681 7.318 ( -7.587 -5.217 -1.165) 9.281 7.689 ( 3.792 1.375 2.047) 4.524 10.756 ( -9.633 15.710 -3.443) 18.747 11.125 ( 16.667 -1.319 2.520) 16.908 11.793 ( -4.273 -7.575 0.534) 8.713 12.214 ( 0.237 3.268 0.664) 3.344 12.628 ( 2.233 2.203 0.024) 3.137 12.656 ( 1.774 2.029 -0.136) 2.699 31.780 ( -0.337 -0.760 -0.127) 0.841 31.887 ( -0.318 -0.807 0.146) 0.880 32.028 ( -0.027 0.268 -0.089) 0.284 32.065 ( 0.111 0.113 0.119) 0.198 32.812 ( -1.137 -0.472 -0.338) 1.277 32.826 ( 0.423 -0.902 0.332) 1.050 36.326 ( -0.303 0.891 -0.252) 0.974 36.345 ( 0.991 0.188 0.215) 1.031 36.395 ( -0.178 -0.380 0.072) 0.426 36.405 ( -0.632 -0.945 -0.017) 1.137 68.812 ( -0.160 -0.339 -0.082) 0.384 68.812 ( -0.032 -0.332 0.108) 0.350 70.162 ( 0.111 0.002 -0.017) 0.112 70.320 ( 0.032 0.724 0.015) 0.725 70.901 ( 2.137 4.177 -0.716) 4.746 71.045 ( 1.986 2.546 -0.034) 3.229 71.570 ( -3.054 -1.162 -0.101) 3.270 71.683 ( -0.260 -4.367 0.482) 4.401 ======================= Grid point 609 (198/231) ======================= q-point: ( 0.54 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -0.000 5.678 -10.095) 11.583 2.533 ( -0.000 12.821 -0.361) 12.826 2.664 ( -0.000 5.106 -5.430) 7.453 2.840 ( -0.000 7.877 3.133) 8.477 4.231 ( -0.000 4.040 0.555) 4.078 4.671 ( 0.000 16.538 9.876) 19.263 4.757 ( 0.000 -0.324 1.974) 2.000 5.903 ( 0.000 -9.157 -2.047) 9.383 5.986 ( 0.000 -9.818 9.388) 13.584 6.844 ( 0.000 1.862 2.516) 3.130 7.045 ( -0.000 -0.551 -0.707) 0.897 7.927 ( -0.000 0.300 -9.570) 9.574 10.143 ( 0.000 -1.990 5.006) 5.387 11.037 ( -0.000 15.531 -1.708) 15.625 12.018 ( -0.000 2.567 -5.001) 5.621 12.018 ( 0.000 0.161 2.745) 2.750 12.367 ( -0.000 11.006 -0.800) 11.035 12.385 ( -0.000 9.987 0.315) 9.992 31.832 ( 0.000 -1.596 0.747) 1.762 31.954 ( 0.000 -1.552 -0.546) 1.645 32.005 ( -0.000 0.249 -0.686) 0.730 32.066 ( -0.000 0.371 -0.189) 0.416 32.841 ( 0.000 -1.418 0.704) 1.583 32.924 ( 0.000 -3.098 -0.488) 3.136 36.291 ( 0.000 0.178 0.211) 0.277 36.327 ( -0.000 0.973 -0.238) 1.001 36.417 ( 0.000 -0.490 -0.237) 0.545 36.443 ( 0.000 -0.643 0.525) 0.830 68.836 ( 0.000 -0.739 -0.173) 0.759 68.839 ( 0.000 -0.705 0.099) 0.712 70.145 ( -0.000 0.630 -0.185) 0.657 70.301 ( 0.000 -0.161 0.069) 0.175 70.604 ( -0.000 7.295 1.594) 7.467 70.847 ( -0.000 7.276 -2.430) 7.671 71.717 ( 0.000 -6.242 1.499) 6.419 71.914 ( 0.000 -4.253 -0.480) 4.280 ======================= Grid point 610 (199/231) ======================= q-point: ( 0.62 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.790 8.429 -4.475) 9.576 2.620 ( -4.165 12.765 0.277) 13.430 2.770 ( 8.216 5.531 -6.265) 11.720 2.982 ( 5.870 6.906 3.870) 9.855 4.244 ( -0.085 -1.691 0.867) 1.902 4.704 ( -4.340 7.206 2.757) 8.853 4.993 ( 12.271 4.422 4.284) 13.729 5.745 ( -1.656 -15.311 6.363) 16.663 5.925 ( -3.790 -3.371 3.608) 6.224 6.802 ( -5.459 3.260 -2.543) 6.848 7.159 ( 9.371 1.391 2.056) 9.694 7.846 ( -5.132 0.114 -7.847) 9.377 10.223 ( 9.300 -1.842 4.812) 10.632 11.137 ( -5.010 14.991 -2.262) 15.967 11.984 ( -2.205 -1.097 -0.231) 2.473 12.069 ( 3.028 1.987 -1.786) 4.038 12.479 ( 1.186 9.119 -0.634) 9.218 12.491 ( 1.326 8.639 0.434) 8.751 31.816 ( -0.334 -1.432 0.594) 1.586 31.931 ( -0.617 -1.277 -0.469) 1.494 32.011 ( 0.573 0.146 -0.376) 0.700 32.066 ( -0.208 0.206 -0.184) 0.346 32.830 ( -0.109 -1.131 0.814) 1.397 32.888 ( -0.675 -2.413 -0.725) 2.608 36.297 ( 0.371 0.172 0.264) 0.487 36.335 ( -0.119 1.024 -0.257) 1.062 36.411 ( -0.093 -0.453 -0.245) 0.524 36.436 ( -0.204 -0.858 0.405) 0.971 68.828 ( -0.177 -0.488 -0.239) 0.572 68.831 ( -0.266 -0.597 0.167) 0.674 70.154 ( 0.215 0.572 -0.093) 0.618 70.299 ( 0.061 -0.039 0.019) 0.075 70.698 ( 2.053 6.439 1.728) 6.975 70.915 ( 0.891 6.257 -1.572) 6.513 71.658 ( -0.189 -5.926 0.909) 5.998 71.855 ( -1.968 -3.697 -0.590) 4.229 ======================= Grid point 611 (200/231) ======================= q-point: ( 0.69 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 3.957 11.185 3.228) 12.296 2.649 ( -4.278 8.249 -0.867) 9.333 2.996 ( 13.075 7.722 -6.926) 16.690 3.169 ( 5.696 5.661 5.402) 9.678 4.209 ( 0.424 -6.335 1.404) 6.503 4.666 ( -8.174 3.214 -1.406) 8.895 5.194 ( 8.511 -1.789 -0.619) 8.719 5.683 ( 4.596 -5.861 8.682) 11.439 5.818 ( -5.525 -4.253 2.707) 7.479 6.768 ( -3.006 8.563 -3.541) 9.741 7.318 ( 7.941 -4.466 3.328) 9.700 7.726 ( -6.184 2.719 -5.617) 8.785 10.447 ( 16.145 -1.295 4.323) 16.764 11.153 ( -8.474 14.405 -2.821) 16.949 11.915 ( -3.079 -4.052 -0.094) 5.090 12.142 ( 3.581 2.182 -1.405) 4.423 12.570 ( 0.934 5.939 -0.211) 6.015 12.592 ( 1.612 5.889 0.223) 6.110 31.797 ( -0.551 -1.115 0.334) 1.288 31.907 ( -0.703 -0.963 -0.300) 1.229 32.021 ( 0.515 0.051 -0.059) 0.521 32.064 ( -0.119 0.207 -0.174) 0.295 32.821 ( -0.047 -1.139 0.718) 1.347 32.852 ( -0.990 -1.243 -0.691) 1.732 36.309 ( 0.708 0.172 0.284) 0.782 36.341 ( -0.239 1.027 -0.262) 1.086 36.403 ( -0.219 -0.409 -0.174) 0.496 36.423 ( -0.383 -1.007 0.198) 1.096 68.819 ( -0.282 -0.338 -0.066) 0.445 68.821 ( -0.330 -0.427 0.012) 0.540 70.160 ( 0.048 0.323 0.000) 0.327 70.306 ( 0.548 0.238 -0.021) 0.598 70.805 ( 2.799 5.270 1.288) 6.105 70.985 ( 1.331 4.759 -0.588) 4.976 71.605 ( 0.072 -4.980 0.453) 5.001 71.773 ( -3.357 -2.987 -0.632) 4.538 ======================= Grid point 623 (201/231) ======================= q-point: ( 0.62 0.62 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -0.000 11.594 2.894) 11.950 2.701 ( -0.000 5.685 -9.635) 11.187 2.842 ( -0.000 14.796 5.097) 15.649 2.963 ( -0.000 1.546 0.728) 1.709 4.215 ( 0.000 -5.067 -0.015) 5.067 4.814 ( 0.000 2.293 8.053) 8.374 4.954 ( -0.000 6.862 -1.397) 7.003 5.639 ( 0.000 -14.322 10.066) 17.505 5.926 ( 0.000 -4.306 2.197) 4.834 6.869 ( 0.000 -0.438 0.499) 0.664 7.115 ( -0.000 7.448 -2.319) 7.800 7.855 ( -0.000 -0.666 -6.633) 6.667 10.139 ( 0.000 -2.229 5.017) 5.490 11.319 ( -0.000 14.099 -1.647) 14.195 12.009 ( 0.000 -3.312 1.869) 3.803 12.026 ( -0.000 2.254 -5.049) 5.529 12.554 ( -0.000 8.020 -0.561) 8.040 12.563 ( -0.000 7.454 0.472) 7.469 31.809 ( 0.000 -1.235 0.672) 1.406 31.923 ( 0.000 -1.101 -0.568) 1.239 32.007 ( -0.000 0.347 -0.266) 0.438 32.068 ( -0.000 -0.023 -0.212) 0.213 32.823 ( 0.000 -1.320 0.892) 1.593 32.870 ( 0.000 -1.504 -0.857) 1.731 36.296 ( 0.000 0.111 0.315) 0.334 36.346 ( -0.000 1.100 -0.258) 1.130 36.407 ( -0.000 -0.340 -0.339) 0.480 36.430 ( 0.000 -1.043 0.391) 1.113 68.825 ( -0.000 -0.254 -0.279) 0.377 68.829 ( 0.000 -0.545 0.191) 0.577 70.158 ( -0.000 0.704 -0.058) 0.706 70.296 ( 0.000 -0.337 -0.033) 0.339 70.750 ( -0.000 5.669 2.508) 6.199 70.961 ( -0.000 5.670 -1.147) 5.785 71.603 ( 0.000 -5.772 0.341) 5.782 71.837 ( 0.000 -3.003 -0.730) 3.091 ======================= Grid point 624 (202/231) ======================= q-point: (-0.31 -0.38 -0.77) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 0.790 13.914 10.969) 17.736 2.794 ( 3.563 6.504 -9.553) 12.094 2.858 ( -1.271 4.880 0.497) 5.067 3.122 ( 7.759 5.582 4.811) 10.700 4.144 ( -0.626 -7.565 -0.902) 7.644 4.826 ( -5.893 3.597 0.694) 6.939 5.033 ( 6.835 -1.910 -0.490) 7.113 5.584 ( 3.230 -8.709 12.597) 15.652 5.870 ( -3.414 -2.540 1.777) 4.611 6.860 ( -0.288 2.587 -1.237) 2.881 7.207 ( 3.079 2.692 -0.814) 4.170 7.803 ( -3.140 1.096 -4.748) 5.797 10.221 ( 9.653 -2.097 4.863) 11.010 11.400 ( -5.061 12.970 -1.550) 14.008 11.927 ( -3.485 -4.802 -0.649) 5.968 12.081 ( 4.264 1.188 -2.945) 5.317 12.619 ( -0.024 5.159 -0.283) 5.167 12.633 ( 0.397 5.150 0.346) 5.177 31.797 ( -0.350 -0.919 0.557) 1.130 31.907 ( -0.449 -0.720 -0.523) 0.997 32.014 ( 0.403 0.324 -0.041) 0.519 32.066 ( -0.044 -0.029 -0.240) 0.246 32.811 ( -0.031 -1.541 0.503) 1.621 32.854 ( -0.487 -0.295 -0.488) 0.750 36.302 ( 0.396 0.060 0.339) 0.525 36.355 ( -0.158 1.123 -0.254) 1.162 36.402 ( -0.104 -0.239 -0.333) 0.423 36.418 ( -0.227 -1.165 0.260) 1.215 68.820 ( -0.184 -0.157 -0.129) 0.274 68.822 ( -0.228 -0.348 0.038) 0.418 70.164 ( -0.030 0.498 0.024) 0.500 70.297 ( 0.461 -0.180 -0.072) 0.500 70.822 ( 1.505 4.147 2.500) 5.071 71.014 ( 0.493 4.603 -0.434) 4.650 71.552 ( 0.261 -4.865 -0.070) 4.873 71.792 ( -1.904 -2.137 -0.840) 2.983 ======================= Grid point 637 (203/231) ======================= q-point: (-0.31 -0.31 -0.77) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 0.000 15.563 17.254) 23.236 2.744 ( -0.000 5.546 -10.403) 11.789 2.912 ( 0.000 -4.890 -2.134) 5.335 3.148 ( 0.000 10.332 8.190) 13.185 4.069 ( 0.000 -7.397 -3.145) 8.038 4.894 ( -0.000 -6.472 -12.711) 14.263 4.959 ( 0.000 4.238 11.875) 12.609 5.517 ( 0.000 -7.785 13.240) 15.359 5.897 ( 0.000 0.246 2.261) 2.274 6.836 ( 0.000 -2.651 -1.171) 2.899 7.234 ( -0.000 4.990 -2.200) 5.453 7.829 ( -0.000 2.351 -3.299) 4.051 10.133 ( 0.000 -2.196 5.035) 5.493 11.557 ( -0.000 10.512 -0.248) 10.515 11.908 ( 0.000 -7.428 -0.402) 7.439 12.031 ( -0.000 2.110 -4.940) 5.372 12.659 ( -0.000 2.745 -0.171) 2.750 12.674 ( -0.000 3.153 0.277) 3.166 31.795 ( 0.000 -0.631 0.625) 0.888 31.904 ( -0.000 -0.321 -0.606) 0.686 32.015 ( -0.000 0.512 0.035) 0.513 32.064 ( -0.000 -0.104 -0.281) 0.299 32.797 ( 0.000 -1.382 0.141) 1.389 32.858 ( -0.000 0.376 -0.131) 0.399 36.300 ( 0.000 -0.017 0.368) 0.368 36.366 ( -0.000 1.123 -0.249) 1.150 36.400 ( -0.000 -0.062 -0.399) 0.404 36.409 ( 0.000 -1.272 0.238) 1.294 68.820 ( 0.000 -0.329 0.028) 0.330 68.823 ( -0.000 0.112 -0.139) 0.178 70.170 ( -0.000 0.423 0.077) 0.430 70.289 ( 0.000 -0.245 -0.120) 0.273 70.851 ( 0.000 2.090 2.970) 3.631 71.052 ( -0.000 3.992 0.056) 3.992 71.506 ( 0.000 -3.752 -0.567) 3.795 71.788 ( -0.000 -1.255 -0.960) 1.580 ======================= Grid point 736 (204/231) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 -0.000 31.036) 31.036 1.549 ( 0.000 -0.000 31.036) 31.036 1.953 ( 0.000 -0.000 40.473) 40.473 2.906 ( -0.000 0.000 -14.739) 14.739 2.906 ( -0.000 0.000 -14.739) 14.739 4.280 ( -0.000 0.000 -30.552) 30.552 4.997 ( -0.000 0.000 -7.021) 7.021 4.997 ( -0.000 0.000 -7.021) 7.021 6.473 ( 0.000 -0.000 7.895) 7.895 6.473 ( 0.000 -0.000 7.895) 7.895 7.611 ( 0.000 -0.000 13.550) 13.550 8.290 ( -0.000 0.000 -6.805) 6.805 10.136 ( 0.000 -0.000 5.390) 5.390 10.136 ( 0.000 -0.000 5.390) 5.390 11.731 ( -0.000 0.000 -0.703) 0.703 11.797 ( 0.000 -0.000 0.161) 0.161 11.987 ( -0.000 0.000 -5.036) 5.036 11.987 ( -0.000 0.000 -5.036) 5.036 31.916 ( 0.000 -0.000 0.907) 0.907 31.916 ( 0.000 -0.000 0.907) 0.907 32.047 ( -0.000 0.000 -0.768) 0.768 32.047 ( -0.000 0.000 -0.768) 0.768 32.992 ( -0.000 0.000 -0.513) 0.513 33.140 ( 0.000 -0.000 0.500) 0.500 36.284 ( -0.000 0.000 -0.206) 0.206 36.284 ( -0.000 0.000 -0.206) 0.206 36.444 ( 0.000 -0.000 0.076) 0.076 36.444 ( 0.000 -0.000 0.076) 0.076 68.880 ( 0.000 -0.000 0.543) 0.543 68.963 ( -0.000 0.000 -0.594) 0.594 70.128 ( -0.000 0.000 -0.150) 0.150 70.128 ( -0.000 0.000 -0.150) 0.150 70.287 ( 0.000 -0.000 0.400) 0.400 70.287 ( 0.000 -0.000 0.400) 0.400 72.073 ( 0.000 -0.000 0.213) 0.213 72.180 ( -0.000 0.000 -0.001) 0.001 ======================= Grid point 737 (205/231) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -13.911 -8.032 33.548) 37.195 1.700 ( 4.203 2.426 28.129) 28.544 2.544 ( 24.091 13.909 23.745) 36.574 2.808 ( 0.537 0.310 -11.330) 11.347 2.890 ( 2.348 1.356 -14.718) 14.965 4.214 ( 4.526 2.613 -25.950) 26.471 5.003 ( 0.835 0.482 -8.048) 8.105 5.139 ( 15.218 8.786 -9.509) 19.980 6.526 ( 2.625 1.515 7.630) 8.210 6.598 ( 6.990 4.036 6.327) 10.255 7.570 ( -7.810 -4.509 12.651) 15.536 8.111 ( -12.542 -7.241 -4.820) 15.263 10.191 ( 1.824 1.053 4.426) 4.902 10.202 ( 5.133 2.963 4.506) 7.445 11.777 ( 4.253 2.455 -0.602) 4.947 11.825 ( 1.938 1.119 -0.471) 2.287 11.955 ( 0.794 0.458 -3.359) 3.481 12.016 ( 2.402 1.387 -4.881) 5.614 31.919 ( -0.304 -0.175 0.733) 0.813 31.935 ( 1.358 0.784 0.092) 1.571 32.031 ( -0.894 -0.516 -0.638) 1.214 32.050 ( 0.296 0.171 -0.718) 0.795 32.969 ( -1.723 -0.995 -0.259) 2.006 33.113 ( -2.299 -1.328 1.028) 2.847 36.285 ( 0.225 0.130 -0.128) 0.289 36.286 ( 0.144 0.083 -0.211) 0.269 36.440 ( -0.270 -0.156 0.096) 0.327 36.450 ( 0.410 0.237 -0.008) 0.474 68.876 ( -0.513 -0.296 0.555) 0.812 68.939 ( -1.568 -0.905 -0.449) 1.865 70.125 ( -0.082 -0.047 -0.058) 0.111 70.216 ( 6.759 3.902 -2.822) 8.299 70.292 ( 0.220 0.127 0.313) 0.404 70.346 ( 4.830 2.789 0.170) 5.580 72.022 ( -4.116 -2.376 1.876) 5.110 72.157 ( -2.039 -1.177 -0.025) 2.354 ======================= Grid point 738 (206/231) ======================= q-point: ( 0.46 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -2.736 -1.580 23.085) 23.300 1.925 ( 6.440 3.718 23.498) 24.646 2.607 ( -1.094 -0.631 -21.865) 21.901 2.903 ( 3.357 1.938 -12.890) 13.460 3.330 ( 25.451 14.694 22.707) 37.139 4.302 ( 9.884 5.707 -15.688) 19.400 4.977 ( 0.007 0.004 -9.515) 9.515 5.498 ( 17.788 10.270 -11.499) 23.540 6.637 ( 4.337 2.504 6.764) 8.417 6.748 ( 1.656 0.956 1.499) 2.429 7.389 ( -10.519 -6.073 12.853) 17.684 7.770 ( -14.024 -8.097 -2.057) 16.323 10.244 ( 1.476 0.852 2.288) 2.853 10.391 ( 9.944 5.741 3.605) 12.035 11.847 ( 0.693 0.400 -1.192) 1.436 11.918 ( 7.835 4.524 -0.068) 9.048 12.028 ( 6.122 3.535 -0.865) 7.122 12.053 ( 2.205 1.273 -4.125) 4.848 31.908 ( -0.906 -0.523 0.302) 1.089 31.965 ( 1.261 0.728 -0.451) 1.524 32.004 ( -1.335 -0.771 -0.256) 1.563 32.055 ( 0.291 0.168 -0.555) 0.649 32.922 ( -2.084 -1.203 0.013) 2.406 33.053 ( -3.155 -1.822 1.139) 3.817 36.289 ( 0.216 0.125 -0.220) 0.332 36.293 ( 0.451 0.260 -0.011) 0.521 36.433 ( -0.449 -0.259 0.135) 0.536 36.459 ( 0.307 0.177 -0.094) 0.366 68.862 ( -0.899 -0.519 0.559) 1.179 68.901 ( -1.472 -0.850 -0.574) 1.794 70.125 ( 0.111 0.064 0.028) 0.131 70.298 ( 0.221 0.127 0.206) 0.328 70.370 ( 7.552 4.360 -3.778) 9.503 70.489 ( 7.359 4.249 -0.924) 8.548 71.925 ( -5.011 -2.893 3.322) 6.672 72.090 ( -3.695 -2.133 -0.058) 4.267 ======================= Grid point 739 (207/231) ======================= q-point: ( 0.54 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 6.739 3.891 6.149) 9.917 2.157 ( 6.773 3.911 18.934) 20.486 2.567 ( 4.857 2.804 -18.120) 18.968 2.939 ( 3.343 1.930 -9.371) 10.135 3.892 ( 17.064 9.852 12.532) 23.351 4.522 ( 12.225 7.058 -5.129) 15.019 4.941 ( 0.330 0.191 -10.567) 10.574 5.803 ( 11.245 6.492 -7.636) 15.063 6.575 ( -14.234 -8.218 -6.100) 17.532 6.757 ( 3.828 2.210 5.102) 6.750 7.209 ( -10.157 -5.864 4.503) 12.563 7.601 ( -0.077 -0.044 7.922) 7.923 10.267 ( 0.237 0.137 -0.669) 0.723 10.669 ( 13.020 7.517 2.908) 15.313 11.865 ( 1.052 0.607 1.326) 1.798 12.079 ( 1.204 0.695 -3.108) 3.404 12.125 ( 9.944 5.741 0.144) 11.483 12.198 ( 8.605 4.968 -0.586) 9.953 31.882 ( -1.330 -0.768 -0.233) 1.553 31.971 ( -1.485 -0.858 0.235) 1.731 31.986 ( 0.741 0.428 -0.347) 0.923 32.059 ( 0.254 0.147 -0.258) 0.391 32.881 ( -1.484 -0.857 -0.066) 1.715 32.981 ( -3.431 -1.981 0.845) 4.050 36.293 ( 0.248 0.143 -0.251) 0.381 36.305 ( 0.638 0.368 0.084) 0.741 36.422 ( -0.540 -0.312 0.204) 0.656 36.461 ( -0.115 -0.067 -0.145) 0.197 68.842 ( -0.884 -0.510 0.455) 1.118 68.870 ( -1.056 -0.610 -0.575) 1.348 70.131 ( 0.387 0.224 0.065) 0.452 70.302 ( 0.057 0.033 0.126) 0.142 70.526 ( 7.311 4.221 -3.696) 9.216 70.656 ( 7.371 4.256 -0.727) 8.542 71.824 ( -4.950 -2.858 2.953) 6.433 71.995 ( -4.476 -2.584 0.147) 5.171 ======================= Grid point 740 (208/231) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 12.487 7.209 -6.038) 15.632 2.374 ( 6.646 3.837 15.161) 16.992 2.690 ( 10.573 6.104 -12.216) 17.271 2.973 ( 1.742 1.006 -4.960) 5.353 4.184 ( 5.669 3.273 5.163) 8.337 4.769 ( 8.792 5.076 1.569) 10.272 4.920 ( 1.499 0.865 -11.088) 11.222 5.905 ( -1.261 -0.728 -2.661) 3.033 6.209 ( -13.266 -7.659 -8.742) 17.637 6.839 ( 1.880 1.085 3.116) 3.798 7.041 ( -2.508 -1.448 -1.238) 3.150 7.699 ( 3.123 1.803 9.949) 10.582 10.249 ( -1.107 -0.639 -3.423) 3.654 10.989 ( 13.906 8.028 2.159) 16.201 11.907 ( 1.732 1.000 3.828) 4.319 12.078 ( -0.684 -0.395 -2.041) 2.188 12.354 ( 9.685 5.592 0.298) 11.188 12.396 ( 8.617 4.975 -0.584) 9.967 31.848 ( -1.406 -0.812 -0.594) 1.729 31.940 ( -1.354 -0.781 0.565) 1.662 31.998 ( 0.397 0.229 -0.156) 0.484 32.064 ( 0.128 0.074 0.065) 0.162 32.855 ( -0.745 -0.430 -0.440) 0.966 32.909 ( -3.097 -1.788 0.772) 3.659 36.298 ( 0.215 0.124 -0.310) 0.397 36.322 ( 0.812 0.469 0.149) 0.950 36.411 ( -0.499 -0.288 0.300) 0.650 36.452 ( -0.585 -0.338 -0.193) 0.703 68.828 ( -0.525 -0.303 0.354) 0.702 68.848 ( -0.795 -0.459 -0.413) 1.006 70.143 ( 0.621 0.359 0.048) 0.719 70.301 ( -0.172 -0.099 0.089) 0.218 70.670 ( 6.457 3.728 -3.862) 8.397 70.814 ( 6.521 3.765 0.326) 7.537 71.718 ( -5.195 -2.999 1.542) 6.194 71.898 ( -3.943 -2.277 0.711) 4.608 ======================= Grid point 741 (209/231) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 14.671 8.470 -12.451) 21.024 2.573 ( 6.226 3.594 12.242) 14.197 2.923 ( 12.543 7.242 -8.868) 16.983 2.971 ( -1.129 -0.652 -0.684) 1.472 4.202 ( -4.478 -2.585 2.344) 5.677 4.904 ( 1.518 0.876 7.245) 7.454 4.927 ( 2.840 1.640 -11.384) 11.847 5.756 ( -8.594 -4.962 -9.949) 14.051 5.957 ( -5.852 -3.379 -3.275) 7.510 6.864 ( -0.430 -0.248 1.555) 1.633 7.098 ( 5.947 3.434 0.450) 6.882 7.779 ( 1.306 0.754 6.669) 6.838 10.197 ( -1.879 -1.085 -4.985) 5.437 11.301 ( 12.626 7.290 1.355) 14.643 11.968 ( 2.013 1.162 5.080) 5.586 12.025 ( -3.550 -2.049 -0.972) 4.213 12.549 ( 7.009 4.047 0.351) 8.101 12.569 ( 6.410 3.701 -0.506) 7.419 31.816 ( -1.107 -0.639 -0.695) 1.455 31.916 ( -0.940 -0.543 0.659) 1.270 32.006 ( 0.359 0.207 -0.034) 0.416 32.065 ( -0.052 -0.030 0.239) 0.246 32.833 ( -1.428 -0.825 -0.849) 1.855 32.860 ( -0.985 -0.569 0.923) 1.465 36.300 ( 0.112 0.064 -0.366) 0.388 36.343 ( 0.944 0.545 0.197) 1.107 36.402 ( -0.316 -0.183 0.385) 0.531 36.434 ( -0.938 -0.541 -0.224) 1.106 68.821 ( -0.153 -0.089 0.282) 0.333 68.831 ( -0.570 -0.329 -0.230) 0.697 70.158 ( 0.660 0.381 -0.010) 0.762 70.295 ( -0.315 -0.182 0.093) 0.375 70.786 ( 4.819 2.782 -3.660) 6.660 70.951 ( 5.233 3.021 0.732) 6.087 71.602 ( -5.069 -2.927 0.505) 5.875 71.827 ( -2.624 -1.515 1.028) 3.199 ======================= Grid point 750 (210/231) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 0.000 -13.590 32.001) 34.767 1.884 ( 0.000 8.656 28.094) 29.398 2.565 ( 0.000 13.713 10.605) 17.335 2.767 ( -0.000 -0.106 -17.184) 17.185 2.846 ( -0.000 11.507 -0.204) 11.509 4.101 ( -0.000 4.962 -25.370) 25.850 4.903 ( -0.000 -2.807 -4.364) 5.189 5.147 ( -0.000 15.972 -8.567) 18.124 6.569 ( 0.000 3.609 5.727) 6.769 6.589 ( 0.000 4.536 6.944) 8.294 7.617 ( 0.000 -9.299 12.071) 15.238 8.125 ( -0.000 -8.674 -7.221) 11.286 10.155 ( 0.000 -0.724 5.215) 5.265 10.267 ( -0.000 7.844 3.192) 8.469 11.773 ( -0.000 4.599 -0.527) 4.629 11.836 ( -0.000 4.051 -0.302) 4.062 11.937 ( -0.000 0.121 -2.990) 2.993 11.996 ( -0.000 2.821 -4.755) 5.529 31.910 ( 0.000 -0.970 0.919) 1.336 31.949 ( -0.000 2.085 -0.099) 2.087 32.038 ( -0.000 -0.557 -0.745) 0.930 32.039 ( -0.000 -0.039 -0.519) 0.521 32.968 ( 0.000 -1.956 -0.226) 1.969 33.117 ( 0.000 -2.445 0.802) 2.573 36.282 ( -0.000 0.038 -0.120) 0.126 36.287 ( -0.000 0.396 -0.181) 0.435 36.443 ( 0.000 -0.187 0.022) 0.188 36.446 ( 0.000 0.174 0.117) 0.210 68.879 ( 0.000 -0.511 0.527) 0.734 68.937 ( 0.000 -1.947 -0.420) 1.991 70.129 ( -0.000 0.113 -0.196) 0.227 70.189 ( -0.000 5.321 -1.337) 5.486 70.291 ( 0.000 0.193 0.329) 0.382 70.359 ( -0.000 7.041 -0.576) 7.065 72.029 ( 0.000 -4.200 1.431) 4.437 72.157 ( 0.000 -2.314 -0.030) 2.314 ======================= Grid point 751 (211/231) ======================= q-point: ( 0.46 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -5.670 -4.823 26.587) 27.610 2.057 ( -1.269 11.011 24.325) 26.731 2.525 ( -1.648 -3.428 -22.197) 22.520 2.778 ( 6.217 0.767 -15.810) 17.006 3.259 ( 14.548 24.434 22.400) 36.200 4.140 ( 6.757 7.216 -17.174) 19.816 4.934 ( 5.268 -0.498 -5.471) 7.611 5.326 ( 6.983 14.859 -8.621) 18.544 6.634 ( 0.542 0.972 7.050) 7.137 6.701 ( 5.644 2.205 3.315) 6.907 7.494 ( -6.036 -11.784 11.388) 17.464 7.916 ( -10.747 -6.053 -7.154) 14.259 10.212 ( 4.298 -0.014 4.211) 6.017 10.373 ( 1.688 9.127 1.842) 9.463 11.858 ( 2.626 5.551 -0.763) 6.189 11.872 ( 0.588 4.003 -0.548) 4.083 11.975 ( 4.039 3.595 -0.922) 5.485 12.026 ( 1.584 3.268 -3.974) 5.383 31.904 ( 0.041 -1.373 0.662) 1.524 31.968 ( 0.108 1.841 -0.628) 1.948 32.016 ( -1.019 -0.634 -0.285) 1.234 32.045 ( 0.536 -0.045 -0.519) 0.748 32.934 ( -1.193 -2.156 -0.017) 2.464 33.077 ( -1.748 -2.843 0.848) 3.443 36.285 ( 0.236 0.097 -0.077) 0.267 36.292 ( 0.117 0.501 -0.131) 0.531 36.437 ( -0.321 -0.249 0.086) 0.415 36.453 ( 0.388 0.061 0.023) 0.393 68.870 ( -0.512 -0.684 0.543) 1.012 68.907 ( -0.860 -1.810 -0.488) 2.062 70.130 ( -0.084 0.413 -0.057) 0.425 70.263 ( 2.292 2.048 -0.876) 3.196 70.322 ( 3.130 3.531 -0.811) 4.788 70.460 ( 3.044 8.173 -1.268) 8.813 71.966 ( -2.709 -4.559 2.258) 5.763 72.112 ( -1.960 -3.232 -0.083) 3.781 ======================= Grid point 752 (212/231) ======================= q-point: ( 0.54 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -2.181 2.156 13.265) 13.614 2.237 ( 0.985 9.270 16.633) 19.067 2.444 ( 3.161 1.486 -15.319) 15.712 2.850 ( 6.129 3.350 -13.033) 14.787 3.796 ( 14.282 16.604 13.146) 25.544 4.326 ( 12.041 6.154 -7.624) 15.524 4.981 ( -0.605 6.692 -6.950) 9.667 5.594 ( 13.996 7.277 -6.948) 17.237 6.563 ( -4.867 -14.647 2.636) 15.658 6.802 ( 0.259 3.534 0.123) 3.546 7.336 ( -5.466 -6.587 9.026) 12.439 7.678 ( -8.092 -0.330 -1.316) 8.205 10.294 ( 0.974 3.697 0.720) 3.890 10.540 ( 8.734 6.274 2.092) 10.956 11.884 ( -0.577 3.070 1.414) 3.429 12.006 ( 5.798 2.839 -2.217) 6.826 12.088 ( 3.519 6.568 -1.632) 7.628 12.122 ( 6.480 6.430 -0.364) 9.136 31.886 ( -0.615 -1.512 0.084) 1.635 31.976 ( -0.405 -0.357 -0.424) 0.686 31.998 ( -0.647 0.762 0.131) 1.008 32.052 ( 0.475 -0.022 -0.365) 0.600 32.893 ( -1.308 -1.671 0.012) 2.122 33.013 ( -2.638 -2.849 0.660) 3.939 36.291 ( 0.257 0.245 -0.135) 0.380 36.301 ( 0.368 0.454 0.001) 0.584 36.428 ( -0.469 -0.293 0.159) 0.576 36.458 ( 0.201 -0.189 -0.104) 0.295 68.853 ( -0.831 -0.729 0.546) 1.233 68.875 ( -0.769 -1.221 -0.614) 1.569 70.134 ( -0.067 0.647 0.064) 0.654 70.289 ( 0.964 -0.376 0.006) 1.034 70.450 ( 5.777 5.728 -2.330) 8.462 70.603 ( 5.005 7.226 -0.858) 8.832 71.875 ( -3.740 -4.133 2.304) 6.032 72.030 ( -3.319 -3.846 -0.023) 5.080 ======================= Grid point 753 (213/231) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 5.091 6.157 0.950) 8.046 2.405 ( 5.371 6.237 6.920) 10.753 2.541 ( 5.599 7.167 -2.394) 9.405 2.945 ( 4.194 5.952 -8.711) 11.353 4.136 ( 7.669 7.497 4.890) 11.786 4.568 ( 12.421 1.620 -2.594) 12.792 5.008 ( -3.465 11.716 -6.810) 13.988 5.835 ( 8.706 1.450 -2.989) 9.319 6.251 ( -9.434 -16.499 -5.208) 19.706 6.770 ( -1.274 -5.851 2.416) 6.457 7.227 ( -8.846 7.670 -1.780) 11.843 7.670 ( 3.775 -1.673 9.055) 9.952 10.313 ( -3.746 6.244 -2.832) 7.813 10.803 ( 14.648 3.828 2.449) 15.337 11.920 ( 0.361 2.457 3.643) 4.409 12.063 ( 1.545 0.540 -2.980) 3.399 12.271 ( 7.691 8.058 0.323) 11.144 12.311 ( 7.666 6.731 -0.508) 10.214 31.856 ( -1.035 -1.414 -0.398) 1.797 31.952 ( -1.006 -1.213 0.312) 1.606 32.003 ( -0.216 1.017 0.027) 1.040 32.059 ( 0.437 -0.054 -0.079) 0.448 32.860 ( -0.851 -1.008 -0.226) 1.339 32.941 ( -2.809 -2.545 0.549) 3.830 36.297 ( 0.130 0.385 -0.246) 0.475 36.314 ( 0.693 0.383 0.136) 0.804 36.418 ( -0.516 -0.305 0.243) 0.647 36.454 ( -0.211 -0.471 -0.210) 0.557 68.835 ( -0.671 -0.541 0.423) 0.961 68.852 ( -0.588 -0.836 -0.486) 1.132 70.141 ( 0.167 0.671 0.087) 0.696 70.298 ( 0.414 -0.251 0.049) 0.487 70.595 ( 5.776 5.315 -2.865) 8.355 70.758 ( 5.553 5.773 0.216) 8.013 71.775 ( -4.450 -3.618 1.330) 5.887 71.932 ( -3.419 -3.978 0.382) 5.259 ======================= Grid point 754 (214/231) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 10.515 8.031 -5.575) 14.358 2.602 ( 6.538 6.703 7.546) 12.025 2.714 ( 7.425 5.425 -1.364) 9.297 3.036 ( 1.167 8.432 -4.902) 9.822 4.241 ( -1.024 -0.138 1.502) 1.823 4.734 ( 8.894 -2.606 -1.872) 9.455 5.038 ( -3.937 10.531 -4.132) 11.979 5.807 ( -6.508 -6.141 -4.464) 10.000 5.986 ( -4.777 -7.099 -6.759) 10.904 6.769 ( 6.808 -4.432 2.947) 8.642 7.183 ( -6.039 10.213 -2.080) 12.046 7.754 ( 3.947 -3.084 8.222) 9.627 10.278 ( -5.983 6.941 -4.672) 10.286 11.111 ( 15.890 2.924 2.165) 16.302 11.960 ( 0.692 -0.364 3.596) 3.680 12.067 ( -1.084 1.791 -0.895) 2.277 12.473 ( 7.316 5.751 0.385) 9.314 12.496 ( 6.829 5.359 -0.469) 8.693 31.823 ( -1.008 -1.152 -0.586) 1.639 31.925 ( -0.869 -1.068 0.525) 1.474 32.008 ( -0.126 0.694 0.067) 0.708 32.064 ( 0.220 -0.092 0.161) 0.288 32.840 ( -0.663 -0.623 -0.773) 1.194 32.878 ( -2.001 -1.817 0.853) 2.835 36.301 ( -0.005 0.410 -0.323) 0.522 36.332 ( 0.931 0.400 0.211) 1.035 36.408 ( -0.402 -0.277 0.317) 0.582 36.440 ( -0.621 -0.684 -0.266) 0.961 68.824 ( -0.297 -0.321 0.328) 0.546 68.834 ( -0.451 -0.615 -0.303) 0.821 70.153 ( 0.412 0.523 0.044) 0.667 70.299 ( -0.089 0.021 0.053) 0.106 70.725 ( 4.882 4.570 -2.918) 7.296 70.901 ( 5.030 4.276 0.813) 6.651 71.662 ( -5.078 -3.129 0.259) 5.970 71.847 ( -2.318 -3.540 0.817) 4.309 ======================= Grid point 764 (215/231) ======================= q-point: ( 0.46 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 -2.543 20.809) 20.964 2.281 ( 0.000 11.118 22.727) 25.301 2.419 ( -0.000 -4.215 -22.405) 22.798 2.653 ( -0.000 2.220 -17.700) 17.838 3.481 ( 0.000 27.271 19.256) 33.384 4.122 ( -0.000 11.185 -11.383) 15.958 4.825 ( 0.000 -2.683 -1.507) 3.077 5.442 ( -0.000 19.149 -7.059) 20.409 6.641 ( 0.000 -7.341 7.698) 10.637 6.689 ( 0.000 4.682 3.628) 5.923 7.447 ( 0.000 -15.089 9.257) 17.702 7.926 ( -0.000 -3.039 -11.109) 11.517 10.180 ( 0.000 -0.783 4.976) 5.037 10.475 ( -0.000 11.812 0.127) 11.813 11.881 ( -0.000 5.823 -1.481) 6.009 11.949 ( -0.000 1.908 0.524) 1.979 11.950 ( -0.000 8.307 -1.603) 8.460 12.042 ( -0.000 5.429 -2.488) 5.972 31.893 ( 0.000 -1.450 0.900) 1.707 31.982 ( -0.000 1.516 -1.077) 1.860 32.015 ( 0.000 -1.200 -0.686) 1.382 32.041 ( -0.000 0.494 0.050) 0.497 32.921 ( 0.000 -2.516 0.075) 2.517 33.063 ( 0.000 -3.456 0.560) 3.501 36.284 ( -0.000 0.143 0.021) 0.144 36.296 ( -0.000 0.631 -0.165) 0.652 36.437 ( 0.000 -0.400 -0.074) 0.407 36.451 ( 0.000 0.103 0.299) 0.316 68.869 ( 0.000 -0.793 0.470) 0.922 68.892 ( 0.000 -2.027 -0.408) 2.068 70.130 ( -0.000 0.188 -0.238) 0.303 70.298 ( 0.000 0.238 0.209) 0.317 70.304 ( -0.000 7.027 -0.190) 7.029 70.518 ( -0.000 9.282 -2.180) 9.535 71.946 ( 0.000 -5.449 1.887) 5.767 72.092 ( 0.000 -4.016 -0.161) 4.019 ======================= Grid point 765 (216/231) ======================= q-point: ( 0.54 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -3.722 0.223 8.164) 8.975 2.300 ( -1.096 1.817 -11.688) 11.879 2.476 ( 0.899 10.205 15.053) 18.208 2.701 ( 7.956 4.236 -14.987) 17.489 3.850 ( 6.223 20.655 10.112) 23.825 4.249 ( 4.219 11.721 -2.827) 12.775 4.904 ( 10.201 -0.014 -0.740) 10.227 5.582 ( -1.020 16.013 -5.364) 16.919 6.515 ( -4.708 -16.698 6.208) 18.426 6.792 ( 3.733 3.137 1.582) 5.126 7.319 ( -0.454 -12.380 8.190) 14.851 7.807 ( -7.051 1.475 -10.247) 12.526 10.247 ( 6.023 0.012 4.254) 7.374 10.583 ( -1.207 12.002 -1.080) 12.111 11.947 ( -0.795 3.192 0.820) 3.390 11.951 ( 2.035 4.021 -2.391) 5.102 12.085 ( 4.428 8.635 -1.114) 9.767 12.120 ( 2.225 8.057 -0.292) 8.364 31.879 ( -0.279 -1.643 0.636) 1.784 31.981 ( -0.736 -0.292 -0.760) 1.098 32.006 ( 0.353 0.052 -0.508) 0.621 32.047 ( 0.036 0.467 -0.008) 0.468 32.891 ( -0.670 -2.138 0.147) 2.246 33.018 ( -1.327 -3.548 0.290) 3.799 36.288 ( 0.258 0.211 0.073) 0.341 36.303 ( 0.050 0.666 -0.154) 0.685 36.431 ( -0.175 -0.434 -0.041) 0.470 36.453 ( 0.071 -0.114 0.238) 0.274 68.859 ( -0.459 -0.833 0.504) 1.077 68.869 ( -0.381 -1.546 -0.511) 1.672 70.136 ( 0.396 0.332 -0.144) 0.536 70.287 ( -0.689 0.754 0.145) 1.032 70.421 ( 4.086 6.547 0.085) 7.717 70.618 ( 2.125 8.728 -1.967) 9.196 71.882 ( -1.689 -5.387 1.634) 5.877 72.033 ( -1.883 -4.529 -0.225) 4.910 ======================= Grid point 766 (217/231) ======================= q-point: ( 0.62 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.125 4.040 -0.225) 4.048 2.334 ( 4.154 5.174 -4.965) 8.287 2.647 ( 1.235 10.779 10.915) 15.390 2.860 ( 8.545 7.293 -9.463) 14.688 4.125 ( 5.291 10.381 2.298) 11.876 4.442 ( 6.189 7.786 0.433) 9.956 5.095 ( 6.222 6.826 -1.077) 9.299 5.715 ( 4.676 8.654 -2.483) 10.145 6.220 ( -8.931 -19.557 1.739) 21.570 6.774 ( -4.240 -6.017 -0.176) 7.363 7.334 ( 4.579 1.422 4.235) 6.397 7.675 ( -5.566 0.542 -3.133) 6.410 10.392 ( 5.321 4.648 1.419) 7.206 10.676 ( 2.475 7.766 -0.572) 8.171 11.962 ( -0.839 1.743 2.496) 3.158 12.023 ( 2.997 2.844 -2.969) 5.088 12.252 ( 4.958 9.223 -0.150) 10.473 12.272 ( 5.340 8.726 -0.067) 10.230 31.855 ( -0.730 -1.646 0.125) 1.805 31.956 ( -0.872 -1.216 -0.133) 1.502 32.015 ( 0.166 0.633 -0.171) 0.677 32.052 ( 0.176 0.222 -0.072) 0.292 32.862 ( -0.700 -1.414 0.064) 1.579 32.955 ( -1.984 -3.218 0.135) 3.783 36.297 ( 0.339 0.380 0.017) 0.510 36.310 ( 0.217 0.562 -0.065) 0.606 36.422 ( -0.335 -0.432 0.054) 0.549 36.451 ( -0.117 -0.438 0.034) 0.454 68.842 ( -0.673 -0.767 0.457) 1.118 68.848 ( -0.335 -0.987 -0.492) 1.152 70.146 ( 0.218 0.477 -0.007) 0.524 70.290 ( 0.235 0.356 0.050) 0.429 70.559 ( 4.471 6.409 -0.502) 7.831 70.742 ( 3.669 7.290 -0.749) 8.196 71.800 ( -2.634 -4.718 0.993) 5.494 71.943 ( -2.955 -4.807 -0.092) 5.643 ======================= Grid point 767 (218/231) ======================= q-point: ( 0.69 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 5.904 7.824 -1.004) 9.852 2.477 ( 7.860 4.333 -2.044) 9.206 2.818 ( 1.322 12.448 8.044) 14.879 3.037 ( 5.809 8.829 -6.003) 12.154 4.254 ( 1.231 2.611 0.471) 2.925 4.586 ( 5.640 0.850 -0.499) 5.725 5.198 ( -2.531 9.077 -2.096) 9.654 5.823 ( -1.058 -1.941 0.533) 2.274 5.925 ( -3.137 -10.784 -5.526) 12.517 6.663 ( 0.936 -4.260 2.124) 4.852 7.396 ( -6.463 10.342 -4.905) 13.145 7.648 ( 5.472 -6.495 7.140) 11.095 10.469 ( -5.276 11.576 -3.238) 13.127 10.866 ( 14.028 1.212 2.356) 14.276 11.961 ( -0.609 -1.317 1.337) 1.973 12.087 ( 1.506 3.719 -0.426) 4.035 12.426 ( 5.586 7.082 0.199) 9.022 12.448 ( 5.672 7.233 -0.214) 9.194 31.825 ( -0.899 -1.419 -0.228) 1.695 31.929 ( -0.775 -1.282 0.195) 1.511 32.020 ( -0.227 0.572 0.056) 0.618 32.058 ( 0.382 0.036 0.049) 0.387 32.840 ( -0.516 -0.770 -0.269) 0.965 32.893 ( -1.887 -2.558 0.305) 3.194 36.305 ( 0.050 0.631 -0.194) 0.662 36.322 ( 0.685 0.362 0.154) 0.790 36.412 ( -0.381 -0.422 0.140) 0.585 36.441 ( -0.413 -0.703 -0.137) 0.827 68.828 ( -0.435 -0.525 0.294) 0.742 68.833 ( -0.333 -0.732 -0.288) 0.854 70.153 ( 0.173 0.434 0.031) 0.468 70.299 ( 0.295 0.365 0.014) 0.470 70.691 ( 4.177 5.913 -1.139) 7.328 70.873 ( 4.094 5.451 0.369) 6.827 71.707 ( -3.697 -3.672 0.043) 5.211 71.847 ( -2.482 -4.841 0.346) 5.451 ======================= Grid point 778 (219/231) ======================= q-point: ( 0.54 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -0.000 -0.534 -4.073) 4.108 2.328 ( -0.000 7.094 -3.127) 7.752 2.545 ( -0.000 4.158 -8.560) 9.517 2.681 ( 0.000 9.960 7.523) 12.482 4.021 ( -0.000 16.969 2.390) 17.136 4.377 ( -0.000 16.803 6.063) 17.864 4.784 ( 0.000 -1.538 2.433) 2.878 5.752 ( -0.000 14.840 -3.261) 15.194 6.409 ( 0.000 -20.199 8.525) 21.924 6.796 ( -0.000 3.820 1.615) 4.148 7.204 ( 0.000 -13.662 4.075) 14.257 7.845 ( -0.000 2.883 -12.319) 12.652 10.197 ( 0.000 -1.370 4.840) 5.030 10.730 ( -0.000 14.564 -1.864) 14.683 11.942 ( -0.000 3.177 -4.579) 5.573 12.006 ( 0.000 2.012 2.812) 3.458 12.139 ( -0.000 11.379 -1.095) 11.431 12.188 ( -0.000 9.588 0.221) 9.591 31.868 ( 0.000 -1.700 0.843) 1.897 31.983 ( 0.000 -1.551 -0.639) 1.677 31.994 ( -0.000 0.659 -0.879) 1.098 32.055 ( -0.000 0.680 0.081) 0.685 32.876 ( 0.000 -2.006 0.291) 2.027 32.992 ( 0.000 -3.802 -0.087) 3.803 36.288 ( 0.000 0.212 0.172) 0.273 36.309 ( -0.000 0.791 -0.195) 0.815 36.427 ( 0.000 -0.530 -0.191) 0.563 36.453 ( 0.000 -0.188 0.449) 0.486 68.854 ( 0.000 -1.072 -0.496) 1.181 68.857 ( 0.000 -1.149 0.503) 1.254 70.134 ( -0.000 0.415 -0.223) 0.471 70.302 ( 0.000 0.072 0.086) 0.112 70.459 ( -0.000 7.907 1.632) 8.073 70.679 ( -0.000 8.700 -2.244) 8.985 71.844 ( 0.000 -6.027 1.057) 6.118 72.002 ( 0.000 -4.750 -0.393) 4.766 ======================= Grid point 779 (220/231) ======================= q-point: ( 0.62 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.025 3.760 -5.842) 6.948 2.391 ( -2.080 10.299 1.898) 10.677 2.632 ( 8.155 5.200 -10.042) 13.942 2.842 ( 3.560 9.470 8.223) 13.037 4.170 ( 1.727 9.329 -1.087) 9.549 4.526 ( -2.626 12.395 4.831) 13.559 4.941 ( 13.757 2.508 4.850) 14.801 5.825 ( -3.371 9.007 -1.381) 9.716 6.179 ( -6.520 -19.465 7.390) 21.818 6.793 ( -4.214 -2.697 -1.382) 5.190 7.192 ( 9.611 -4.308 4.235) 11.352 7.780 ( -5.506 2.815 -10.197) 11.926 10.271 ( 7.948 -0.946 4.454) 9.159 10.832 ( -4.084 14.567 -2.424) 15.321 11.966 ( 1.162 1.670 -3.993) 4.481 12.030 ( 0.041 2.375 2.444) 3.408 12.276 ( 2.990 10.707 -0.700) 11.138 12.305 ( 2.076 9.966 0.470) 10.191 31.850 ( -0.450 -1.690 0.607) 1.851 31.956 ( -0.762 -1.368 -0.476) 1.637 32.006 ( 0.851 0.232 -0.469) 0.999 32.058 ( -0.267 0.502 -0.010) 0.569 32.857 ( -0.346 -1.445 0.366) 1.530 32.946 ( -0.924 -3.554 -0.327) 3.686 36.294 ( 0.311 0.251 0.220) 0.456 36.316 ( -0.046 0.830 -0.202) 0.856 36.420 ( -0.058 -0.547 -0.201) 0.586 36.450 ( -0.190 -0.446 0.355) 0.601 68.840 ( -0.166 -0.942 -0.453) 1.058 68.846 ( -0.389 -0.812 0.445) 1.004 70.143 ( 0.450 0.458 -0.139) 0.657 70.298 ( -0.426 0.262 0.050) 0.503 70.568 ( 2.538 7.330 1.801) 7.963 70.768 ( 1.654 7.838 -1.534) 8.156 71.779 ( -0.866 -5.879 0.527) 5.966 71.937 ( -1.881 -4.717 -0.478) 5.100 ======================= Grid point 792 (221/231) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -0.000 8.282 -3.188) 8.874 2.541 ( -0.000 5.836 -13.792) 14.976 2.576 ( -0.000 13.726 7.415) 15.600 2.907 ( 0.000 5.288 6.554) 8.421 4.224 ( -0.000 4.966 -1.992) 5.351 4.753 ( -0.000 13.743 4.359) 14.418 4.812 ( 0.000 0.799 7.494) 7.536 5.888 ( 0.000 -2.632 0.030) 2.632 6.101 ( 0.000 -14.634 10.034) 17.743 6.858 ( -0.000 1.824 -0.203) 1.836 7.038 ( 0.000 -2.622 -0.386) 2.650 7.813 ( -0.000 2.076 -10.183) 10.392 10.200 ( 0.000 -1.916 4.864) 5.227 11.014 ( -0.000 15.643 -2.201) 15.797 11.959 ( -0.000 2.511 -5.125) 5.707 12.050 ( 0.000 -0.126 2.707) 2.710 12.359 ( -0.000 11.146 -0.622) 11.163 12.390 ( -0.000 9.968 0.547) 9.983 31.840 ( 0.000 -1.649 0.763) 1.817 31.947 ( 0.000 -1.523 -0.633) 1.649 31.999 ( -0.000 0.394 -0.337) 0.518 32.065 ( -0.000 0.285 -0.102) 0.302 32.849 ( 0.000 -1.154 0.624) 1.312 32.917 ( 0.000 -3.382 -0.686) 3.451 36.294 ( 0.000 0.213 0.294) 0.363 36.325 ( -0.000 0.953 -0.219) 0.978 36.414 ( 0.000 -0.529 -0.303) 0.609 36.449 ( 0.000 -0.655 0.401) 0.768 68.832 ( -0.000 -0.669 -0.413) 0.786 68.843 ( 0.000 -0.809 0.403) 0.904 70.144 ( -0.000 0.674 -0.130) 0.686 70.302 ( 0.000 -0.187 -0.013) 0.187 70.630 ( -0.000 7.394 2.962) 7.966 70.825 ( -0.000 7.528 -1.490) 7.674 71.726 ( 0.000 -6.306 0.077) 6.307 71.907 ( 0.000 -4.328 -0.722) 4.388 ======================= Grid point 920 (222/231) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.000 -0.000 28.589) 28.589 1.889 ( 0.000 -0.000 28.589) 28.589 2.394 ( 0.000 -0.000 36.339) 36.339 2.716 ( -0.000 0.000 -18.740) 18.740 2.716 ( -0.000 0.000 -18.740) 18.740 3.927 ( -0.000 0.000 -30.761) 30.761 4.932 ( -0.000 0.000 -4.395) 4.395 4.932 ( -0.000 0.000 -4.395) 4.395 6.547 ( 0.000 -0.000 5.109) 5.109 6.547 ( 0.000 -0.000 5.109) 5.109 7.758 ( 0.000 -0.000 12.074) 12.074 8.207 ( -0.000 0.000 -7.722) 7.722 10.191 ( 0.000 -0.000 4.157) 4.157 10.191 ( 0.000 -0.000 4.157) 4.157 11.724 ( -0.000 0.000 -0.492) 0.492 11.798 ( 0.000 -0.000 0.106) 0.106 11.936 ( -0.000 0.000 -3.874) 3.874 11.936 ( -0.000 0.000 -3.874) 3.874 31.926 ( 0.000 -0.000 0.752) 0.752 31.926 ( 0.000 -0.000 0.752) 0.752 32.039 ( -0.000 0.000 -0.652) 0.652 32.039 ( -0.000 0.000 -0.652) 0.652 32.987 ( -0.000 0.000 -0.320) 0.320 33.144 ( 0.000 -0.000 0.311) 0.311 36.282 ( -0.000 0.000 -0.146) 0.146 36.282 ( -0.000 0.000 -0.146) 0.146 36.445 ( 0.000 -0.000 0.054) 0.054 36.445 ( 0.000 -0.000 0.054) 0.054 68.886 ( 0.000 -0.000 0.453) 0.453 68.957 ( -0.000 0.000 -0.489) 0.489 70.126 ( -0.000 0.000 -0.098) 0.098 70.126 ( -0.000 0.000 -0.098) 0.098 70.291 ( 0.000 -0.000 0.276) 0.276 70.291 ( 0.000 -0.000 0.276) 0.276 72.075 ( 0.000 -0.000 0.151) 0.151 72.180 ( -0.000 0.000 -0.001) 0.001 ======================= Grid point 921 (223/231) ======================= q-point: ( 0.46 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -14.839 -8.567 31.527) 35.883 2.010 ( 2.670 1.541 26.265) 26.445 2.500 ( -3.879 -2.240 -20.756) 21.233 2.700 ( 3.487 2.013 -18.719) 19.147 2.948 ( 23.133 13.356 24.667) 36.359 3.921 ( 8.896 5.136 -24.530) 26.594 4.926 ( -0.273 -0.158 -5.464) 5.473 5.062 ( 12.941 7.472 -4.230) 15.531 6.596 ( 2.814 1.625 4.458) 5.517 6.654 ( 6.392 3.690 3.389) 8.122 7.707 ( -7.962 -4.597 10.969) 14.312 8.043 ( -11.109 -6.414 -6.656) 14.451 10.229 ( 1.175 0.678 2.084) 2.487 10.252 ( 4.829 2.788 3.970) 6.845 11.771 ( 4.182 2.415 -0.428) 4.848 11.821 ( 1.586 0.915 -0.163) 1.838 11.928 ( 1.952 1.127 -1.290) 2.597 11.963 ( 2.416 1.395 -4.168) 5.015 31.926 ( -0.453 -0.262 0.306) 0.606 31.938 ( 0.955 0.551 0.474) 1.200 32.026 ( -0.765 -0.442 -0.291) 0.930 32.042 ( 0.329 0.190 -0.654) 0.756 32.966 ( -1.599 -0.923 -0.158) 1.853 33.121 ( -2.025 -1.169 0.496) 2.390 36.283 ( 0.130 0.075 -0.167) 0.224 36.284 ( 0.271 0.156 -0.042) 0.315 36.441 ( -0.251 -0.145 0.093) 0.305 36.449 ( 0.350 0.202 -0.052) 0.407 68.882 ( -0.479 -0.277 0.426) 0.698 68.934 ( -1.574 -0.909 -0.391) 1.859 70.125 ( -0.040 -0.023 0.032) 0.056 70.193 ( 5.371 3.101 -1.475) 6.375 70.294 ( 0.189 0.109 0.173) 0.279 70.348 ( 4.685 2.705 0.283) 5.417 72.037 ( -3.165 -1.827 0.852) 3.752 72.156 ( -2.059 -1.189 -0.011) 2.378 ======================= Grid point 922 (224/231) ======================= q-point: ( 0.54 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -9.693 -5.596 22.801) 25.400 2.187 ( 4.388 2.533 22.487) 23.051 2.360 ( 0.252 0.145 -20.145) 20.147 2.735 ( 5.491 3.170 -16.588) 17.758 3.554 ( 21.375 12.341 15.607) 29.202 4.128 ( 14.992 8.655 -13.888) 22.194 4.885 ( -1.050 -0.606 -6.537) 6.649 5.406 ( 17.096 9.870 -4.725) 20.298 6.695 ( 4.218 2.435 3.308) 5.888 6.749 ( -1.885 -1.089 -1.515) 2.652 7.518 ( -11.376 -6.568 8.269) 15.522 7.745 ( -10.098 -5.830 -0.580) 11.674 10.253 ( 0.541 0.312 -0.675) 0.920 10.433 ( 9.622 5.555 3.450) 11.633 11.845 ( 1.622 0.937 0.807) 2.040 11.920 ( 7.762 4.482 0.501) 8.977 12.006 ( 2.524 1.457 -3.937) 4.898 12.022 ( 6.224 3.594 -0.209) 7.190 31.908 ( -1.088 -0.628 -0.264) 1.284 31.965 ( 1.104 0.637 0.302) 1.310 32.003 ( -1.165 -0.672 0.202) 1.360 32.048 ( 0.400 0.231 -0.526) 0.700 32.922 ( -2.052 -1.185 -0.043) 2.370 33.063 ( -3.125 -1.804 0.552) 3.650 36.287 ( 0.198 0.114 -0.195) 0.300 36.293 ( 0.492 0.284 0.078) 0.573 36.434 ( -0.421 -0.243 0.149) 0.508 36.457 ( 0.272 0.157 -0.209) 0.377 68.868 ( -0.875 -0.505 0.509) 1.131 68.895 ( -1.562 -0.902 -0.543) 1.883 70.126 ( 0.128 0.074 0.129) 0.196 70.300 ( 0.198 0.114 0.079) 0.241 70.332 ( 7.176 4.143 -2.705) 8.717 70.488 ( 7.090 4.094 0.532) 8.204 71.951 ( -4.561 -2.633 1.399) 5.449 72.090 ( -3.664 -2.115 0.031) 4.231 ======================= Grid point 923 (225/231) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -0.756 -0.437 10.371) 10.407 2.369 ( 4.791 2.766 18.068) 18.896 2.387 ( 7.319 4.225 -12.155) 14.804 2.817 ( 6.138 3.544 -12.168) 14.082 3.998 ( 13.878 8.012 6.000) 17.111 4.454 ( 15.842 9.146 -6.796) 19.514 4.839 ( -0.554 -0.320 -7.139) 7.168 5.745 ( 12.679 7.320 -2.218) 14.807 6.500 ( -16.147 -9.322 -7.284) 20.017 6.795 ( 3.485 2.012 1.707) 4.371 7.232 ( -13.002 -7.507 -0.506) 15.022 7.709 ( 2.532 1.462 11.135) 11.512 10.244 ( -0.679 -0.392 -3.296) 3.388 10.702 ( 12.672 7.316 2.823) 14.902 11.894 ( 1.975 1.140 3.646) 4.301 12.042 ( 1.688 0.974 -3.400) 3.919 12.129 ( 9.953 5.746 0.587) 11.507 12.192 ( 8.526 4.923 -0.470) 9.856 31.876 ( -1.446 -0.835 -0.656) 1.794 31.976 ( -1.369 -0.790 0.542) 1.671 31.987 ( 0.678 0.391 0.356) 0.860 32.057 ( 0.427 0.246 -0.219) 0.539 32.879 ( -1.593 -0.920 -0.198) 1.850 32.989 ( -3.429 -1.980 0.488) 3.989 36.291 ( 0.221 0.128 -0.241) 0.351 36.307 ( 0.661 0.382 0.164) 0.781 36.424 ( -0.501 -0.289 0.225) 0.621 36.458 ( -0.121 -0.070 -0.337) 0.364 68.848 ( -0.959 -0.554 0.533) 1.229 68.864 ( -0.983 -0.568 -0.600) 1.284 70.132 ( 0.373 0.216 0.160) 0.460 70.303 ( 0.051 0.029 0.025) 0.064 70.486 ( 7.162 4.135 -3.069) 8.821 70.660 ( 7.413 4.280 1.132) 8.635 71.845 ( -5.106 -2.948 0.844) 5.956 71.998 ( -4.283 -2.473 0.344) 4.958 ======================= Grid point 934 (226/231) ======================= q-point: ( 0.46 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.000 -15.137 29.220) 32.908 2.189 ( 0.000 7.192 25.442) 26.439 2.441 ( -0.000 -6.280 -21.657) 22.550 2.552 ( -0.000 0.488 -20.597) 20.603 3.036 ( 0.000 25.391 21.595) 33.332 3.828 ( -0.000 10.869 -21.098) 23.733 4.873 ( 0.000 -2.354 -0.946) 2.537 5.071 ( -0.000 14.536 -4.743) 15.290 6.617 ( 0.000 3.490 2.582) 4.341 6.651 ( 0.000 5.552 3.784) 6.718 7.742 ( 0.000 -9.790 9.376) 13.555 8.036 ( -0.000 -9.575 -7.690) 12.281 10.207 ( 0.000 -0.348 3.729) 3.745 10.292 ( -0.000 6.747 0.938) 6.812 11.769 ( -0.000 4.611 -0.236) 4.617 11.831 ( -0.000 3.398 -0.640) 3.457 11.916 ( -0.000 1.243 -0.518) 1.347 11.949 ( -0.000 2.934 -3.234) 4.367 31.920 ( 0.000 -0.910 0.749) 1.179 31.947 ( -0.000 1.412 -0.190) 1.424 32.030 ( -0.000 -0.577 -0.611) 0.841 32.035 ( -0.000 0.159 -0.109) 0.193 32.966 ( 0.000 -1.833 -0.110) 1.836 33.123 ( 0.000 -2.241 0.323) 2.264 36.282 ( -0.000 0.077 -0.021) 0.080 36.285 ( -0.000 0.391 -0.130) 0.412 36.443 ( 0.000 -0.219 -0.026) 0.220 36.448 ( -0.000 0.245 0.107) 0.267 68.884 ( 0.000 -0.487 0.310) 0.577 68.933 ( 0.000 -1.910 -0.264) 1.928 70.127 ( -0.000 0.068 -0.167) 0.181 70.180 ( -0.000 5.049 -0.329) 5.059 70.294 ( 0.000 0.186 0.182) 0.261 70.355 ( -0.000 6.079 -0.311) 6.087 72.040 ( 0.000 -3.413 0.555) 3.458 72.156 ( 0.000 -2.356 -0.018) 2.356 ======================= Grid point 935 (227/231) ======================= q-point: ( 0.54 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -7.865 -11.360 18.945) 23.448 2.255 ( -2.035 -1.017 -9.083) 9.363 2.350 ( -1.050 7.944 14.078) 16.199 2.575 ( 7.781 1.725 -19.541) 21.104 3.475 ( 12.490 21.138 12.990) 27.777 3.968 ( 8.605 13.308 -10.896) 19.232 4.893 ( 2.368 0.664 -1.824) 3.062 5.259 ( 7.257 13.902 -3.032) 15.972 6.695 ( 1.115 3.873 3.449) 5.304 6.721 ( 2.775 0.221 0.184) 2.790 7.607 ( -5.696 -12.007 7.218) 15.123 7.834 ( -7.951 -7.867 -5.906) 12.649 10.248 ( 2.318 0.899 1.780) 3.058 10.386 ( 2.908 7.679 0.531) 8.228 11.853 ( 2.765 5.657 -0.192) 6.300 11.869 ( 1.458 3.505 -0.038) 3.796 11.968 ( 3.329 3.276 -0.374) 4.686 11.991 ( 2.012 4.555 -1.692) 5.259 31.909 ( -0.373 -1.225 0.291) 1.313 31.963 ( 0.372 1.275 -0.229) 1.348 32.015 ( -0.671 -0.667 -0.062) 0.948 32.041 ( 0.350 0.184 -0.227) 0.456 32.934 ( -1.177 -2.068 -0.013) 2.379 33.083 ( -1.675 -2.840 0.269) 3.308 36.284 ( 0.165 0.159 -0.022) 0.231 36.291 ( 0.198 0.466 -0.051) 0.509 36.438 ( -0.235 -0.288 0.035) 0.373 36.453 ( 0.225 0.170 -0.000) 0.282 68.875 ( -0.432 -0.643 0.268) 0.820 68.902 ( -0.993 -1.863 -0.251) 2.126 70.130 ( 0.075 0.332 -0.016) 0.341 70.255 ( 2.312 3.212 -0.404) 3.978 70.317 ( 1.977 2.962 -0.189) 3.566 70.452 ( 3.578 7.129 -0.308) 7.982 71.982 ( -2.410 -4.136 0.698) 4.838 72.111 ( -1.938 -3.296 -0.032) 3.823 ======================= Grid point 936 (228/231) ======================= q-point: ( 0.62 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -4.527 -4.671 7.040) 9.585 2.249 ( 4.800 1.396 -4.892) 6.994 2.490 ( -0.686 9.717 15.698) 18.475 2.687 ( 8.557 5.367 -14.805) 17.923 3.893 ( 12.163 13.636 3.030) 18.522 4.255 ( 12.757 10.424 -4.060) 16.967 4.921 ( -2.870 8.043 -3.547) 9.247 5.552 ( 14.410 7.337 -0.429) 16.176 6.565 ( -9.316 -13.867 -2.308) 16.864 6.802 ( 0.887 3.902 -0.231) 4.008 7.382 ( -10.458 -6.794 -1.651) 12.580 7.704 ( 0.788 -2.681 6.526) 7.099 10.285 ( -1.472 4.547 -2.258) 5.286 10.564 ( 10.036 5.152 2.039) 11.464 11.911 ( 0.357 3.787 3.164) 4.947 11.976 ( 4.825 1.132 -2.784) 5.684 12.078 ( 4.899 7.948 -0.064) 9.337 12.119 ( 6.237 6.400 -0.165) 8.938 31.884 ( -1.006 -1.309 -0.341) 1.686 31.975 ( -0.014 -0.473 0.229) 0.526 32.001 ( -0.516 0.475 0.387) 0.801 32.048 ( 0.487 0.122 -0.229) 0.552 32.892 ( -1.398 -1.644 -0.073) 2.159 33.018 ( -2.561 -2.929 0.189) 3.896 36.289 ( 0.144 0.306 -0.127) 0.361 36.301 ( 0.477 0.401 0.099) 0.631 36.430 ( -0.392 -0.316 0.122) 0.518 36.456 ( 0.060 -0.092 -0.198) 0.227 68.859 ( -0.784 -0.712 0.469) 1.158 68.868 ( -0.850 -1.237 -0.501) 1.582 70.135 ( 0.001 0.589 0.118) 0.601 70.289 ( 1.025 -0.293 -0.095) 1.070 70.429 ( 4.644 6.378 -1.320) 7.999 70.603 ( 5.739 6.545 0.682) 8.731 71.890 ( -3.742 -4.081 0.292) 5.544 72.031 ( -3.150 -3.889 0.129) 5.006 ======================= Grid point 948 (229/231) ======================= q-point: ( 0.54 0.54 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 0.000 -12.388 1.799) 12.518 2.236 ( -0.000 0.828 -4.015) 4.099 2.430 ( -0.000 2.769 -19.167) 19.366 2.529 ( 0.000 9.407 18.658) 20.895 3.634 ( -0.000 22.920 4.307) 23.321 4.037 ( -0.000 18.265 -0.606) 18.275 4.832 ( 0.000 -2.192 2.751) 3.518 5.390 ( -0.000 19.276 -1.843) 19.364 6.712 ( -0.000 4.746 0.273) 4.754 6.713 ( 0.000 -5.273 4.818) 7.142 7.534 ( 0.000 -16.030 4.953) 16.778 7.801 ( -0.000 -5.315 -9.813) 11.161 10.229 ( 0.000 -0.302 3.388) 3.402 10.465 ( -0.000 11.209 -1.976) 11.382 11.862 ( -0.000 3.729 -1.860) 4.167 11.931 ( -0.000 8.592 -1.393) 8.704 11.968 ( 0.000 2.703 2.635) 3.775 12.024 ( -0.000 6.684 -0.706) 6.722 31.902 ( 0.000 -1.406 0.716) 1.577 31.971 ( -0.000 1.279 -0.764) 1.489 32.008 ( 0.000 -1.218 -0.559) 1.340 32.043 ( 0.000 0.530 0.353) 0.637 32.921 ( 0.000 -2.407 0.054) 2.407 33.066 ( 0.000 -3.537 -0.002) 3.537 36.285 ( 0.000 0.190 0.122) 0.226 36.295 ( -0.000 0.609 -0.137) 0.624 36.436 ( 0.000 -0.443 -0.126) 0.461 36.454 ( 0.000 0.223 0.270) 0.350 68.872 ( 0.000 -0.827 -0.082) 0.831 68.890 ( 0.000 -2.013 0.131) 2.018 70.128 ( -0.000 0.169 -0.203) 0.264 70.300 ( -0.000 0.222 0.069) 0.233 70.310 ( -0.000 7.607 1.205) 7.702 70.499 ( -0.000 8.536 -1.238) 8.626 71.958 ( 0.000 -5.159 0.237) 5.164 72.091 ( 0.000 -4.134 -0.118) 4.136 ======================= Grid point 1105 (230/231) ======================= q-point: ( 0.46 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 0.000 -0.000 24.831) 24.831 2.195 ( 0.000 -0.000 24.831) 24.831 2.484 ( -0.000 0.000 -21.545) 21.545 2.484 ( -0.000 0.000 -21.545) 21.545 2.739 ( 0.000 -0.000 20.645) 20.645 3.623 ( -0.000 0.000 -18.845) 18.845 4.899 ( -0.000 0.000 -1.485) 1.485 4.899 ( -0.000 0.000 -1.485) 1.485 6.587 ( 0.000 -0.000 1.762) 1.762 6.587 ( 0.000 -0.000 1.762) 1.762 7.872 ( 0.000 -0.000 6.731) 6.731 8.126 ( -0.000 0.000 -5.235) 5.235 10.225 ( 0.000 -0.000 1.579) 1.579 10.225 ( 0.000 -0.000 1.579) 1.579 11.720 ( -0.000 0.000 -0.176) 0.176 11.799 ( 0.000 -0.000 0.037) 0.037 11.904 ( -0.000 0.000 -1.470) 1.470 11.904 ( -0.000 0.000 -1.470) 1.470 31.932 ( 0.000 -0.000 0.304) 0.304 31.932 ( 0.000 -0.000 0.304) 0.304 32.033 ( -0.000 0.000 -0.268) 0.268 32.033 ( -0.000 0.000 -0.268) 0.268 32.984 ( -0.000 0.000 -0.108) 0.108 33.147 ( 0.000 -0.000 0.104) 0.104 36.281 ( -0.000 0.000 -0.053) 0.053 36.281 ( -0.000 0.000 -0.053) 0.053 36.445 ( 0.000 -0.000 0.020) 0.020 36.445 ( 0.000 -0.000 0.020) 0.020 68.890 ( 0.000 -0.000 0.185) 0.185 68.953 ( -0.000 0.000 -0.198) 0.198 70.126 ( -0.000 0.000 -0.034) 0.034 70.126 ( -0.000 0.000 -0.034) 0.034 70.293 ( 0.000 -0.000 0.098) 0.098 70.293 ( 0.000 -0.000 0.098) 0.098 72.076 ( 0.000 -0.000 0.055) 0.055 72.180 ( -0.000 0.000 -0.001) 0.001 ======================= Grid point 1106 (231/231) ======================= q-point: ( 0.54 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 0.00e+00 1.64e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -17.559 -10.138 11.804) 23.462 2.267 ( -2.893 -1.670 -10.096) 10.634 2.293 ( 1.911 1.103 22.960) 23.066 2.468 ( 4.327 2.498 -21.586) 22.157 3.157 ( 21.501 12.413 6.108) 25.567 3.715 ( 11.604 6.700 -6.413) 14.855 4.881 ( -1.284 -0.741 -2.387) 2.810 5.041 ( 12.161 7.021 0.475) 14.051 6.626 ( 2.932 1.693 0.920) 3.508 6.673 ( 5.672 3.275 -0.145) 6.551 7.795 ( -7.989 -4.613 2.311) 9.510 7.986 ( -9.983 -5.764 -1.046) 11.575 10.235 ( 0.368 0.213 -1.009) 1.095 10.286 ( 5.118 2.955 1.870) 6.199 11.768 ( 4.047 2.337 -0.127) 4.675 11.823 ( 2.092 1.208 0.541) 2.476 11.926 ( 2.519 1.454 0.927) 3.053 11.926 ( 1.941 1.121 -2.192) 3.135 31.926 ( -0.646 -0.373 -0.290) 0.800 31.944 ( 0.921 0.531 0.440) 1.151 32.025 ( -0.605 -0.349 0.220) 0.732 32.036 ( 0.281 0.162 -0.362) 0.486 32.965 ( -1.557 -0.899 -0.026) 1.798 33.124 ( -1.914 -1.105 0.079) 2.211 36.282 ( 0.102 0.059 -0.082) 0.144 36.284 ( 0.313 0.181 0.051) 0.365 36.442 ( -0.222 -0.128 0.068) 0.265 36.449 ( 0.279 0.161 -0.086) 0.334 68.885 ( -0.432 -0.249 0.088) 0.506 68.932 ( -1.619 -0.935 -0.095) 1.871 70.125 ( 0.010 0.006 0.110) 0.111 70.181 ( 4.599 2.655 -0.527) 5.337 70.295 ( 0.169 0.098 -0.003) 0.195 70.352 ( 4.847 2.799 0.274) 5.604 72.043 ( -2.814 -1.625 0.130) 3.252 72.156 ( -2.060 -1.189 0.004) 2.378 =================== 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 3/79092 10.0 327.452 327.452 864.777 -0.000 -0.000 -0.000 3/79092 20.0 78.737 78.737 126.224 -0.000 -0.000 -0.000 3/79092 30.0 33.148 33.148 50.645 -0.000 -0.000 -0.000 3/79092 40.0 18.602 18.602 28.419 -0.000 -0.000 -0.000 3/79092 50.0 12.254 12.254 18.715 -0.000 -0.000 -0.000 3/79092 60.0 8.918 8.918 13.594 -0.000 -0.000 -0.000 3/79092 70.0 6.936 6.936 10.541 -0.000 -0.000 -0.000 3/79092 80.0 5.648 5.648 8.553 -0.000 -0.000 -0.000 3/79092 90.0 4.757 4.757 7.173 -0.000 -0.000 -0.000 3/79092 100.0 4.107 4.107 6.165 -0.000 -0.000 -0.000 3/79092 110.0 3.615 3.615 5.401 -0.000 -0.000 -0.000 3/79092 120.0 3.230 3.230 4.804 -0.000 -0.000 -0.000 3/79092 130.0 2.922 2.922 4.326 -0.000 -0.000 -0.000 3/79092 140.0 2.669 2.669 3.934 -0.000 -0.000 -0.000 3/79092 150.0 2.458 2.458 3.608 -0.000 -0.000 -0.000 3/79092 160.0 2.280 2.280 3.332 -0.000 -0.000 -0.000 3/79092 170.0 2.126 2.126 3.097 -0.000 -0.000 -0.000 3/79092 180.0 1.993 1.993 2.893 -0.000 -0.000 -0.000 3/79092 190.0 1.876 1.876 2.715 -0.000 -0.000 -0.000 3/79092 200.0 1.773 1.773 2.557 -0.000 -0.000 -0.000 3/79092 210.0 1.681 1.681 2.418 -0.000 -0.000 -0.000 3/79092 220.0 1.599 1.599 2.293 -0.000 -0.000 -0.000 3/79092 230.0 1.524 1.524 2.181 -0.000 -0.000 -0.000 3/79092 240.0 1.456 1.456 2.080 -0.000 -0.000 -0.000 3/79092 250.0 1.395 1.395 1.988 -0.000 -0.000 -0.000 3/79092 260.0 1.338 1.338 1.904 -0.000 -0.000 -0.000 3/79092 270.0 1.286 1.286 1.827 -0.000 -0.000 -0.000 3/79092 280.0 1.238 1.238 1.756 -0.000 -0.000 -0.000 3/79092 290.0 1.194 1.194 1.690 -0.000 -0.000 -0.000 3/79092 300.0 1.153 1.153 1.629 -0.000 -0.000 -0.000 3/79092 310.0 1.114 1.114 1.573 -0.000 -0.000 -0.000 3/79092 320.0 1.078 1.078 1.521 -0.000 -0.000 -0.000 3/79092 330.0 1.045 1.045 1.472 -0.000 -0.000 -0.000 3/79092 340.0 1.013 1.013 1.426 -0.000 -0.000 -0.000 3/79092 350.0 0.984 0.984 1.383 -0.000 -0.000 -0.000 3/79092 360.0 0.956 0.956 1.342 -0.000 -0.000 -0.000 3/79092 370.0 0.929 0.929 1.304 -0.000 -0.000 -0.000 3/79092 380.0 0.904 0.904 1.268 -0.000 -0.000 -0.000 3/79092 390.0 0.881 0.881 1.234 -0.000 -0.000 -0.000 3/79092 400.0 0.859 0.859 1.202 -0.000 -0.000 -0.000 3/79092 410.0 0.837 0.837 1.172 -0.000 -0.000 -0.000 3/79092 420.0 0.817 0.817 1.143 -0.000 -0.000 -0.000 3/79092 430.0 0.798 0.798 1.115 -0.000 -0.000 -0.000 3/79092 440.0 0.780 0.780 1.089 -0.000 -0.000 -0.000 3/79092 450.0 0.763 0.763 1.064 -0.000 -0.000 -0.000 3/79092 460.0 0.746 0.746 1.040 -0.000 -0.000 -0.000 3/79092 470.0 0.730 0.730 1.018 -0.000 -0.000 -0.000 3/79092 480.0 0.715 0.715 0.996 -0.000 -0.000 -0.000 3/79092 490.0 0.700 0.700 0.975 -0.000 -0.000 -0.000 3/79092 500.0 0.686 0.686 0.955 -0.000 -0.000 -0.000 3/79092 510.0 0.673 0.673 0.936 -0.000 -0.000 -0.000 3/79092 520.0 0.660 0.660 0.918 -0.000 -0.000 -0.000 3/79092 530.0 0.648 0.648 0.900 -0.000 -0.000 -0.000 3/79092 540.0 0.636 0.636 0.883 -0.000 -0.000 -0.000 3/79092 550.0 0.624 0.624 0.867 -0.000 -0.000 -0.000 3/79092 560.0 0.613 0.613 0.851 -0.000 -0.000 -0.000 3/79092 570.0 0.603 0.603 0.836 -0.000 -0.000 -0.000 3/79092 580.0 0.593 0.593 0.822 -0.000 -0.000 -0.000 3/79092 590.0 0.583 0.583 0.808 -0.000 -0.000 -0.000 3/79092 600.0 0.573 0.573 0.794 -0.000 -0.000 -0.000 3/79092 610.0 0.564 0.564 0.781 -0.000 -0.000 -0.000 3/79092 620.0 0.555 0.555 0.769 -0.000 -0.000 -0.000 3/79092 630.0 0.547 0.547 0.756 -0.000 -0.000 -0.000 3/79092 640.0 0.538 0.538 0.745 -0.000 -0.000 -0.000 3/79092 650.0 0.530 0.530 0.733 -0.000 -0.000 -0.000 3/79092 660.0 0.522 0.522 0.722 -0.000 -0.000 -0.000 3/79092 670.0 0.515 0.515 0.712 -0.000 -0.000 -0.000 3/79092 680.0 0.508 0.508 0.701 -0.000 -0.000 -0.000 3/79092 690.0 0.500 0.500 0.691 -0.000 -0.000 -0.000 3/79092 700.0 0.493 0.493 0.681 -0.000 -0.000 -0.000 3/79092 710.0 0.487 0.487 0.672 -0.000 -0.000 -0.000 3/79092 720.0 0.480 0.480 0.663 -0.000 -0.000 -0.000 3/79092 730.0 0.474 0.474 0.654 -0.000 -0.000 -0.000 3/79092 740.0 0.468 0.468 0.645 -0.000 -0.000 -0.000 3/79092 750.0 0.462 0.462 0.637 -0.000 -0.000 -0.000 3/79092 760.0 0.456 0.456 0.628 -0.000 -0.000 -0.000 3/79092 770.0 0.450 0.450 0.620 -0.000 -0.000 -0.000 3/79092 780.0 0.445 0.445 0.612 -0.000 -0.000 -0.000 3/79092 790.0 0.439 0.439 0.605 -0.000 -0.000 -0.000 3/79092 800.0 0.434 0.434 0.598 -0.000 -0.000 -0.000 3/79092 810.0 0.429 0.429 0.590 -0.000 -0.000 -0.000 3/79092 820.0 0.424 0.424 0.583 -0.000 -0.000 -0.000 3/79092 830.0 0.419 0.419 0.576 -0.000 -0.000 -0.000 3/79092 840.0 0.414 0.414 0.570 -0.000 -0.000 -0.000 3/79092 850.0 0.410 0.410 0.563 -0.000 -0.000 -0.000 3/79092 860.0 0.405 0.405 0.557 -0.000 -0.000 -0.000 3/79092 870.0 0.401 0.401 0.551 -0.000 -0.000 -0.000 3/79092 880.0 0.397 0.397 0.545 -0.000 -0.000 -0.000 3/79092 890.0 0.392 0.392 0.539 -0.000 -0.000 -0.000 3/79092 900.0 0.388 0.388 0.533 -0.000 -0.000 -0.000 3/79092 910.0 0.384 0.384 0.527 -0.000 -0.000 -0.000 3/79092 920.0 0.380 0.380 0.522 -0.000 -0.000 -0.000 3/79092 930.0 0.376 0.376 0.516 -0.000 -0.000 -0.000 3/79092 940.0 0.373 0.373 0.511 -0.000 -0.000 -0.000 3/79092 950.0 0.369 0.369 0.506 -0.000 -0.000 -0.000 3/79092 960.0 0.365 0.365 0.501 -0.000 -0.000 -0.000 3/79092 970.0 0.362 0.362 0.496 -0.000 -0.000 -0.000 3/79092 980.0 0.358 0.358 0.491 -0.000 -0.000 -0.000 3/79092 990.0 0.355 0.355 0.486 -0.000 -0.000 -0.000 3/79092 1000.0 0.352 0.352 0.481 -0.000 -0.000 -0.000 3/79092 Thermal conductivity related properties were written into "kappa-m131313.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:42:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|