----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:10:04]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.074842299134041 0.000000000000000 0.000000000000000 b -2.537421149567020 4.394942351249906 0.000000000000000 c 0.000000000000000 0.000000000000000 9.718380390000000 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 2 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 *3 F 0.98397179550672 0.63535257849863 0.86026833462459 18.998 4 F 0.01602820449328 0.65138078299192 0.36026833462459 18.998 5 F 0.63535257849863 0.98397179550672 0.36026833462459 18.998 6 F 0.34861921700808 0.36464742150137 0.36026833462459 18.998 7 F 0.65138078299192 0.63535257849863 0.63973166537541 18.998 8 F 0.65138078299192 0.01602820449328 0.86026833462459 18.998 9 F 0.36464742150137 0.34861921700808 0.86026833462459 18.998 10 F 0.36464742150137 0.01602820449328 0.63973166537541 18.998 11 F 0.34861921700808 0.98397179550672 0.13973166537541 18.998 12 F 0.98397179550672 0.34861921700808 0.63973166537541 18.998 13 F 0.01602820449328 0.36464742150137 0.13973166537541 18.998 14 F 0.63535257849863 0.65138078299192 0.13973166537541 18.998 *15 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 16 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 *17 Ga 0.66666666666667 0.33333333333333 0.75000000000000 69.723 18 Ga 0.33333333333333 0.66666666666667 0.25000000000000 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.074842299134041 0.000000000000000 0.000000000000000 b -2.537421149567020 4.394942351249906 0.000000000000000 c 0.000000000000000 0.000000000000000 9.718380390000000 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 > 2 *3 F 0.98397179550672 0.63535257849863 0.86026833462459 18.998 > 3 4 F 0.01602820449328 0.65138078299192 0.36026833462459 18.998 > 4 5 F 0.63535257849863 0.98397179550672 0.36026833462459 18.998 > 5 6 F 0.34861921700808 0.36464742150137 0.36026833462459 18.998 > 6 7 F 0.65138078299192 0.63535257849863 0.63973166537541 18.998 > 7 8 F 0.65138078299192 0.01602820449328 0.86026833462459 18.998 > 8 9 F 0.36464742150137 0.34861921700808 0.86026833462459 18.998 > 9 10 F 0.36464742150137 0.01602820449328 0.63973166537541 18.998 > 10 11 F 0.34861921700808 0.98397179550672 0.13973166537541 18.998 > 11 12 F 0.98397179550672 0.34861921700808 0.63973166537541 18.998 > 12 13 F 0.01602820449328 0.36464742150137 0.13973166537541 18.998 > 13 14 F 0.63535257849863 0.65138078299192 0.13973166537541 18.998 > 14 *15 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 15 16 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 16 *17 Ga 0.66666666666667 0.33333333333333 0.75000000000000 69.723 > 17 18 Ga 0.33333333333333 0.66666666666667 0.25000000000000 69.723 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.149684598268083 0.000000000000000 0.000000000000000 b -5.074842299134040 8.789884702499812 0.000000000000000 c 0.000000000000000 0.000000000000000 19.436760780000000 Atomic positions (fractional): *1 Li 0.16666666666667 0.33333333333333 0.37500000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.37500000000000 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.37500000000000 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.37500000000000 6.941 > 1 5 Li 0.16666666666667 0.33333333333333 0.87500000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.87500000000000 6.941 > 1 7 Li 0.16666666666667 0.83333333333333 0.87500000000000 6.941 > 1 8 Li 0.66666666666667 0.83333333333333 0.87500000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.12500000000000 6.941 > 2 10 Li 0.83333333333333 0.16666666666667 0.12500000000000 6.941 > 2 11 Li 0.33333333333333 0.66666666666667 0.12500000000000 6.941 > 2 12 Li 0.83333333333333 0.66666666666667 0.12500000000000 6.941 > 2 13 Li 0.33333333333333 0.16666666666667 0.62500000000000 6.941 > 2 14 Li 0.83333333333333 0.16666666666667 0.62500000000000 6.941 > 2 15 Li 0.33333333333333 0.66666666666667 0.62500000000000 6.941 > 2 16 Li 0.83333333333333 0.66666666666667 0.62500000000000 6.941 > 2 *17 F 0.49198589775336 0.31767628924932 0.43013416731229 18.998 > 3 18 F 0.99198589775336 0.31767628924932 0.43013416731229 18.998 > 3 19 F 0.49198589775336 0.81767628924932 0.43013416731229 18.998 > 3 20 F 0.99198589775336 0.81767628924932 0.43013416731229 18.998 > 3 21 F 0.49198589775336 0.31767628924932 0.93013416731229 18.998 > 3 22 F 0.99198589775336 0.31767628924932 0.93013416731229 18.998 > 3 23 F 0.49198589775336 0.81767628924932 0.93013416731229 18.998 > 3 24 F 0.99198589775336 0.81767628924932 0.93013416731229 18.998 > 3 25 F 0.00801410224664 0.32569039149596 0.18013416731229 18.998 > 4 26 F 0.50801410224664 0.32569039149596 0.18013416731229 18.998 > 4 27 F 0.00801410224664 0.82569039149596 0.18013416731229 18.998 > 4 28 F 0.50801410224664 0.82569039149596 0.18013416731229 18.998 > 4 29 F 0.00801410224664 0.32569039149596 0.68013416731229 18.998 > 4 30 F 0.50801410224664 0.32569039149596 0.68013416731229 18.998 > 4 31 F 0.00801410224664 0.82569039149596 0.68013416731229 18.998 > 4 32 F 0.50801410224664 0.82569039149596 0.68013416731229 18.998 > 4 33 F 0.31767628924932 0.49198589775336 0.18013416731229 18.998 > 5 34 F 0.81767628924932 0.49198589775336 0.18013416731229 18.998 > 5 35 F 0.31767628924932 0.99198589775336 0.18013416731229 18.998 > 5 36 F 0.81767628924932 0.99198589775336 0.18013416731229 18.998 > 5 37 F 0.31767628924932 0.49198589775336 0.68013416731229 18.998 > 5 38 F 0.81767628924932 0.49198589775336 0.68013416731229 18.998 > 5 39 F 0.31767628924932 0.99198589775336 0.68013416731229 18.998 > 5 40 F 0.81767628924932 0.99198589775336 0.68013416731229 18.998 > 5 41 F 0.17430960850404 0.18232371075068 0.18013416731229 18.998 > 6 42 F 0.67430960850404 0.18232371075068 0.18013416731229 18.998 > 6 43 F 0.17430960850404 0.68232371075068 0.18013416731229 18.998 > 6 44 F 0.67430960850404 0.68232371075068 0.18013416731229 18.998 > 6 45 F 0.17430960850404 0.18232371075068 0.68013416731229 18.998 > 6 46 F 0.67430960850404 0.18232371075068 0.68013416731229 18.998 > 6 47 F 0.17430960850404 0.68232371075068 0.68013416731229 18.998 > 6 48 F 0.67430960850404 0.68232371075068 0.68013416731229 18.998 > 6 49 F 0.32569039149596 0.31767628924932 0.31986583268771 18.998 > 7 50 F 0.82569039149596 0.31767628924932 0.31986583268771 18.998 > 7 51 F 0.32569039149596 0.81767628924932 0.31986583268771 18.998 > 7 52 F 0.82569039149596 0.81767628924932 0.31986583268771 18.998 > 7 53 F 0.32569039149596 0.31767628924932 0.81986583268771 18.998 > 7 54 F 0.82569039149596 0.31767628924932 0.81986583268771 18.998 > 7 55 F 0.32569039149596 0.81767628924932 0.81986583268771 18.998 > 7 56 F 0.82569039149596 0.81767628924932 0.81986583268771 18.998 > 7 57 F 0.32569039149596 0.00801410224664 0.43013416731229 18.998 > 8 58 F 0.82569039149596 0.00801410224664 0.43013416731229 18.998 > 8 59 F 0.32569039149596 0.50801410224664 0.43013416731229 18.998 > 8 60 F 0.82569039149596 0.50801410224664 0.43013416731229 18.998 > 8 61 F 0.32569039149596 0.00801410224664 0.93013416731229 18.998 > 8 62 F 0.82569039149596 0.00801410224664 0.93013416731229 18.998 > 8 63 F 0.32569039149596 0.50801410224664 0.93013416731229 18.998 > 8 64 F 0.82569039149596 0.50801410224664 0.93013416731229 18.998 > 8 65 F 0.18232371075068 0.17430960850404 0.43013416731229 18.998 > 9 66 F 0.68232371075068 0.17430960850404 0.43013416731229 18.998 > 9 67 F 0.18232371075068 0.67430960850404 0.43013416731229 18.998 > 9 68 F 0.68232371075068 0.67430960850404 0.43013416731229 18.998 > 9 69 F 0.18232371075068 0.17430960850404 0.93013416731229 18.998 > 9 70 F 0.68232371075068 0.17430960850404 0.93013416731229 18.998 > 9 71 F 0.18232371075068 0.67430960850404 0.93013416731229 18.998 > 9 72 F 0.68232371075068 0.67430960850404 0.93013416731229 18.998 > 9 73 F 0.18232371075068 0.00801410224664 0.31986583268771 18.998 > 10 74 F 0.68232371075068 0.00801410224664 0.31986583268771 18.998 > 10 75 F 0.18232371075068 0.50801410224664 0.31986583268771 18.998 > 10 76 F 0.68232371075068 0.50801410224664 0.31986583268771 18.998 > 10 77 F 0.18232371075068 0.00801410224664 0.81986583268771 18.998 > 10 78 F 0.68232371075068 0.00801410224664 0.81986583268771 18.998 > 10 79 F 0.18232371075068 0.50801410224664 0.81986583268771 18.998 > 10 80 F 0.68232371075068 0.50801410224664 0.81986583268771 18.998 > 10 81 F 0.17430960850404 0.49198589775336 0.06986583268771 18.998 > 11 82 F 0.67430960850404 0.49198589775336 0.06986583268771 18.998 > 11 83 F 0.17430960850404 0.99198589775336 0.06986583268771 18.998 > 11 84 F 0.67430960850404 0.99198589775336 0.06986583268771 18.998 > 11 85 F 0.17430960850404 0.49198589775336 0.56986583268771 18.998 > 11 86 F 0.67430960850404 0.49198589775336 0.56986583268771 18.998 > 11 87 F 0.17430960850404 0.99198589775336 0.56986583268771 18.998 > 11 88 F 0.67430960850404 0.99198589775336 0.56986583268771 18.998 > 11 89 F 0.49198589775336 0.17430960850404 0.31986583268771 18.998 > 12 90 F 0.99198589775336 0.17430960850404 0.31986583268771 18.998 > 12 91 F 0.49198589775336 0.67430960850404 0.31986583268771 18.998 > 12 92 F 0.99198589775336 0.67430960850404 0.31986583268771 18.998 > 12 93 F 0.49198589775336 0.17430960850404 0.81986583268771 18.998 > 12 94 F 0.99198589775336 0.17430960850404 0.81986583268771 18.998 > 12 95 F 0.49198589775336 0.67430960850404 0.81986583268771 18.998 > 12 96 F 0.99198589775336 0.67430960850404 0.81986583268771 18.998 > 12 97 F 0.00801410224664 0.18232371075068 0.06986583268771 18.998 > 13 98 F 0.50801410224664 0.18232371075068 0.06986583268771 18.998 > 13 99 F 0.00801410224664 0.68232371075068 0.06986583268771 18.998 > 13 100 F 0.50801410224664 0.68232371075068 0.06986583268771 18.998 > 13 101 F 0.00801410224664 0.18232371075068 0.56986583268771 18.998 > 13 102 F 0.50801410224664 0.18232371075068 0.56986583268771 18.998 > 13 103 F 0.00801410224664 0.68232371075068 0.56986583268771 18.998 > 13 104 F 0.50801410224664 0.68232371075068 0.56986583268771 18.998 > 13 105 F 0.31767628924932 0.32569039149596 0.06986583268771 18.998 > 14 106 F 0.81767628924932 0.32569039149596 0.06986583268771 18.998 > 14 107 F 0.31767628924932 0.82569039149596 0.06986583268771 18.998 > 14 108 F 0.81767628924932 0.82569039149596 0.06986583268771 18.998 > 14 109 F 0.31767628924932 0.32569039149596 0.56986583268771 18.998 > 14 110 F 0.81767628924932 0.32569039149596 0.56986583268771 18.998 > 14 111 F 0.31767628924932 0.82569039149596 0.56986583268771 18.998 > 14 112 F 0.81767628924932 0.82569039149596 0.56986583268771 18.998 > 14 *113 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 15 114 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 15 115 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 15 116 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 15 117 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 15 118 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 15 119 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 15 120 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 15 121 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 16 122 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 16 123 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 16 124 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 16 125 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 16 126 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 16 127 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 16 128 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 16 *129 Ga 0.33333333333333 0.16666666666667 0.37500000000000 69.723 > 17 130 Ga 0.83333333333333 0.16666666666667 0.37500000000000 69.723 > 17 131 Ga 0.33333333333333 0.66666666666667 0.37500000000000 69.723 > 17 132 Ga 0.83333333333333 0.66666666666667 0.37500000000000 69.723 > 17 133 Ga 0.33333333333333 0.16666666666667 0.87500000000000 69.723 > 17 134 Ga 0.83333333333333 0.16666666666667 0.87500000000000 69.723 > 17 135 Ga 0.33333333333333 0.66666666666667 0.87500000000000 69.723 > 17 136 Ga 0.83333333333333 0.66666666666667 0.87500000000000 69.723 > 17 137 Ga 0.16666666666667 0.33333333333333 0.12500000000000 69.723 > 18 138 Ga 0.66666666666667 0.33333333333333 0.12500000000000 69.723 > 18 139 Ga 0.16666666666667 0.83333333333333 0.12500000000000 69.723 > 18 140 Ga 0.66666666666667 0.83333333333333 0.12500000000000 69.723 > 18 141 Ga 0.16666666666667 0.33333333333333 0.62500000000000 69.723 > 18 142 Ga 0.66666666666667 0.33333333333333 0.62500000000000 69.723 > 18 143 Ga 0.16666666666667 0.83333333333333 0.62500000000000 69.723 > 18 144 Ga 0.66666666666667 0.83333333333333 0.62500000000000 69.723 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1949331 0.0000000 0.0000000 0.0000000 2.1949331 0.0000000 0.0000000 0.0000000 2.1840153 -------------------------- Born effective charges -------------------------- 1 Li 1.1312578 -0.0000000 0.0000000 0.0000000 1.1312578 -0.0000000 0.0000000 0.0000000 0.9145790 2 Li 1.1312578 -0.0000000 0.0000000 0.0000000 1.1312578 -0.0000000 0.0000000 0.0000000 0.9145790 3 F -0.9429089 -0.0599583 0.0162854 -0.0682888 -1.2172086 -0.3786708 0.0122852 -0.3791463 -1.0613290 4 F -1.2041663 0.0825483 0.3197958 0.0908788 -0.9559512 -0.2034390 0.3222078 -0.2002125 -1.0613290 5 F -1.0931011 -0.1550023 -0.3360812 -0.1466718 -1.0670164 -0.1752318 -0.3344930 -0.1789339 -1.0613290 6 F -0.9429089 0.0599583 0.0162854 0.0682888 -1.2172086 0.3786708 0.0122852 0.3791463 -1.0613290 7 F -0.9429089 0.0599583 0.0162854 0.0682888 -1.2172086 0.3786708 0.0122852 0.3791463 -1.0613290 8 F -1.0931011 0.1550023 -0.3360812 0.1466718 -1.0670164 0.1752318 -0.3344930 0.1789339 -1.0613290 9 F -1.2041663 -0.0825483 0.3197958 -0.0908788 -0.9559512 0.2034390 0.3222078 0.2002125 -1.0613290 10 F -1.0931011 -0.1550023 -0.3360812 -0.1466718 -1.0670164 -0.1752318 -0.3344930 -0.1789339 -1.0613290 11 F -1.0931011 0.1550023 -0.3360812 0.1466718 -1.0670164 0.1752318 -0.3344930 0.1789339 -1.0613290 12 F -1.2041663 0.0825483 0.3197958 0.0908788 -0.9559512 -0.2034390 0.3222078 -0.2002125 -1.0613290 13 F -0.9429089 -0.0599583 0.0162854 -0.0682888 -1.2172086 -0.3786708 0.0122852 -0.3791463 -1.0613290 14 F -1.2041663 -0.0825483 0.3197958 -0.0908788 -0.9559512 0.2034390 0.3222078 0.2002125 -1.0613290 15 Ca 2.3650091 0.1243245 0.0000000 -0.1243245 2.3650091 -0.0000000 0.0000000 0.0000000 2.5987010 16 Ca 2.3650091 -0.1243245 0.0000000 0.1243245 2.3650091 -0.0000000 0.0000000 0.0000000 2.5987010 17 Ga 2.9840855 -0.0000000 0.0000000 0.0000000 2.9840855 -0.0000000 0.0000000 0.0000000 2.8546937 18 Ga 2.9840855 -0.0000000 0.0000000 0.0000000 2.9840855 -0.0000000 0.0000000 0.0000000 2.8546937 ---------------------------------------------------------------------------- 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: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1045 Number of blocks in projector: 522 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: 481 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 422 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 142 Use standard eigh solver. Tree of FC basis block matrices: - (1045, 1029), data: False |-- (142, 138), data: True |-- (422, 418), data: True |-- (481, 473), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.084 Solver_block: 100 / 240 - Time: 0.506 Solver_block: 200 / 240 - Time: 0.569 Solver_block: 240 / 240 - Time: 0.299 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.476 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1045 Number of blocks in projector: 522 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: 481 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 422 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 142 Use standard eigh solver. Tree of FC basis block matrices: - (1045, 1029), data: False |-- (142, 138), data: True |-- (422, 418), data: True |-- (481, 473), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yx) 0.00000000 (yx) 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 00:10:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:10:21]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.074842299134041 0.000000000000000 0.000000000000000 b -2.537421149567020 4.394942351249906 0.000000000000000 c 0.000000000000000 0.000000000000000 9.718380390000000 Atomic positions (fractional): 1 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 2 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 3 F 0.98397179550672 0.63535257849863 0.86026833462459 18.998 4 F 0.01602820449328 0.65138078299192 0.36026833462459 18.998 5 F 0.63535257849863 0.98397179550672 0.36026833462459 18.998 6 F 0.34861921700808 0.36464742150137 0.36026833462459 18.998 7 F 0.65138078299192 0.63535257849863 0.63973166537541 18.998 8 F 0.65138078299192 0.01602820449328 0.86026833462459 18.998 9 F 0.36464742150137 0.34861921700808 0.86026833462459 18.998 10 F 0.36464742150137 0.01602820449328 0.63973166537541 18.998 11 F 0.34861921700808 0.98397179550672 0.13973166537541 18.998 12 F 0.98397179550672 0.34861921700808 0.63973166537541 18.998 13 F 0.01602820449328 0.36464742150137 0.13973166537541 18.998 14 F 0.63535257849863 0.65138078299192 0.13973166537541 18.998 15 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 16 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 17 Ga 0.66666666666667 0.33333333333333 0.75000000000000 69.723 18 Ga 0.33333333333333 0.66666666666667 0.25000000000000 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.149684598268083 0.000000000000000 0.000000000000000 b -5.074842299134040 8.789884702499812 0.000000000000000 c 0.000000000000000 0.000000000000000 19.436760780000000 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.37500000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.37500000000000 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.37500000000000 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.37500000000000 6.941 > 1 5 Li 0.16666666666667 0.33333333333333 0.87500000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.87500000000000 6.941 > 1 7 Li 0.16666666666667 0.83333333333333 0.87500000000000 6.941 > 1 8 Li 0.66666666666667 0.83333333333333 0.87500000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.12500000000000 6.941 > 9 10 Li 0.83333333333333 0.16666666666667 0.12500000000000 6.941 > 9 11 Li 0.33333333333333 0.66666666666667 0.12500000000000 6.941 > 9 12 Li 0.83333333333333 0.66666666666667 0.12500000000000 6.941 > 9 13 Li 0.33333333333333 0.16666666666667 0.62500000000000 6.941 > 9 14 Li 0.83333333333333 0.16666666666667 0.62500000000000 6.941 > 9 15 Li 0.33333333333333 0.66666666666667 0.62500000000000 6.941 > 9 16 Li 0.83333333333333 0.66666666666667 0.62500000000000 6.941 > 9 17 F 0.49198589775336 0.31767628924932 0.43013416731229 18.998 > 17 18 F 0.99198589775336 0.31767628924932 0.43013416731229 18.998 > 17 19 F 0.49198589775336 0.81767628924932 0.43013416731229 18.998 > 17 20 F 0.99198589775336 0.81767628924932 0.43013416731229 18.998 > 17 21 F 0.49198589775336 0.31767628924932 0.93013416731229 18.998 > 17 22 F 0.99198589775336 0.31767628924932 0.93013416731229 18.998 > 17 23 F 0.49198589775336 0.81767628924932 0.93013416731229 18.998 > 17 24 F 0.99198589775336 0.81767628924932 0.93013416731229 18.998 > 17 25 F 0.00801410224664 0.32569039149596 0.18013416731229 18.998 > 25 26 F 0.50801410224664 0.32569039149596 0.18013416731229 18.998 > 25 27 F 0.00801410224664 0.82569039149596 0.18013416731229 18.998 > 25 28 F 0.50801410224664 0.82569039149596 0.18013416731229 18.998 > 25 29 F 0.00801410224664 0.32569039149596 0.68013416731229 18.998 > 25 30 F 0.50801410224664 0.32569039149596 0.68013416731229 18.998 > 25 31 F 0.00801410224664 0.82569039149596 0.68013416731229 18.998 > 25 32 F 0.50801410224664 0.82569039149596 0.68013416731229 18.998 > 25 33 F 0.31767628924932 0.49198589775336 0.18013416731229 18.998 > 33 34 F 0.81767628924932 0.49198589775336 0.18013416731229 18.998 > 33 35 F 0.31767628924932 0.99198589775336 0.18013416731229 18.998 > 33 36 F 0.81767628924932 0.99198589775336 0.18013416731229 18.998 > 33 37 F 0.31767628924932 0.49198589775336 0.68013416731229 18.998 > 33 38 F 0.81767628924932 0.49198589775336 0.68013416731229 18.998 > 33 39 F 0.31767628924932 0.99198589775336 0.68013416731229 18.998 > 33 40 F 0.81767628924932 0.99198589775336 0.68013416731229 18.998 > 33 41 F 0.17430960850404 0.18232371075068 0.18013416731229 18.998 > 41 42 F 0.67430960850404 0.18232371075068 0.18013416731229 18.998 > 41 43 F 0.17430960850404 0.68232371075068 0.18013416731229 18.998 > 41 44 F 0.67430960850404 0.68232371075068 0.18013416731229 18.998 > 41 45 F 0.17430960850404 0.18232371075068 0.68013416731229 18.998 > 41 46 F 0.67430960850404 0.18232371075068 0.68013416731229 18.998 > 41 47 F 0.17430960850404 0.68232371075068 0.68013416731229 18.998 > 41 48 F 0.67430960850404 0.68232371075068 0.68013416731229 18.998 > 41 49 F 0.32569039149596 0.31767628924932 0.31986583268771 18.998 > 49 50 F 0.82569039149596 0.31767628924932 0.31986583268771 18.998 > 49 51 F 0.32569039149596 0.81767628924932 0.31986583268771 18.998 > 49 52 F 0.82569039149596 0.81767628924932 0.31986583268771 18.998 > 49 53 F 0.32569039149596 0.31767628924932 0.81986583268771 18.998 > 49 54 F 0.82569039149596 0.31767628924932 0.81986583268771 18.998 > 49 55 F 0.32569039149596 0.81767628924932 0.81986583268771 18.998 > 49 56 F 0.82569039149596 0.81767628924932 0.81986583268771 18.998 > 49 57 F 0.32569039149596 0.00801410224664 0.43013416731229 18.998 > 57 58 F 0.82569039149596 0.00801410224664 0.43013416731229 18.998 > 57 59 F 0.32569039149596 0.50801410224664 0.43013416731229 18.998 > 57 60 F 0.82569039149596 0.50801410224664 0.43013416731229 18.998 > 57 61 F 0.32569039149596 0.00801410224664 0.93013416731229 18.998 > 57 62 F 0.82569039149596 0.00801410224664 0.93013416731229 18.998 > 57 63 F 0.32569039149596 0.50801410224664 0.93013416731229 18.998 > 57 64 F 0.82569039149596 0.50801410224664 0.93013416731229 18.998 > 57 65 F 0.18232371075068 0.17430960850404 0.43013416731229 18.998 > 65 66 F 0.68232371075068 0.17430960850404 0.43013416731229 18.998 > 65 67 F 0.18232371075068 0.67430960850404 0.43013416731229 18.998 > 65 68 F 0.68232371075068 0.67430960850404 0.43013416731229 18.998 > 65 69 F 0.18232371075068 0.17430960850404 0.93013416731229 18.998 > 65 70 F 0.68232371075068 0.17430960850404 0.93013416731229 18.998 > 65 71 F 0.18232371075068 0.67430960850404 0.93013416731229 18.998 > 65 72 F 0.68232371075068 0.67430960850404 0.93013416731229 18.998 > 65 73 F 0.18232371075068 0.00801410224664 0.31986583268771 18.998 > 73 74 F 0.68232371075068 0.00801410224664 0.31986583268771 18.998 > 73 75 F 0.18232371075068 0.50801410224664 0.31986583268771 18.998 > 73 76 F 0.68232371075068 0.50801410224664 0.31986583268771 18.998 > 73 77 F 0.18232371075068 0.00801410224664 0.81986583268771 18.998 > 73 78 F 0.68232371075068 0.00801410224664 0.81986583268771 18.998 > 73 79 F 0.18232371075068 0.50801410224664 0.81986583268771 18.998 > 73 80 F 0.68232371075068 0.50801410224664 0.81986583268771 18.998 > 73 81 F 0.17430960850404 0.49198589775336 0.06986583268771 18.998 > 81 82 F 0.67430960850404 0.49198589775336 0.06986583268771 18.998 > 81 83 F 0.17430960850404 0.99198589775336 0.06986583268771 18.998 > 81 84 F 0.67430960850404 0.99198589775336 0.06986583268771 18.998 > 81 85 F 0.17430960850404 0.49198589775336 0.56986583268771 18.998 > 81 86 F 0.67430960850404 0.49198589775336 0.56986583268771 18.998 > 81 87 F 0.17430960850404 0.99198589775336 0.56986583268771 18.998 > 81 88 F 0.67430960850404 0.99198589775336 0.56986583268771 18.998 > 81 89 F 0.49198589775336 0.17430960850404 0.31986583268771 18.998 > 89 90 F 0.99198589775336 0.17430960850404 0.31986583268771 18.998 > 89 91 F 0.49198589775336 0.67430960850404 0.31986583268771 18.998 > 89 92 F 0.99198589775336 0.67430960850404 0.31986583268771 18.998 > 89 93 F 0.49198589775336 0.17430960850404 0.81986583268771 18.998 > 89 94 F 0.99198589775336 0.17430960850404 0.81986583268771 18.998 > 89 95 F 0.49198589775336 0.67430960850404 0.81986583268771 18.998 > 89 96 F 0.99198589775336 0.67430960850404 0.81986583268771 18.998 > 89 97 F 0.00801410224664 0.18232371075068 0.06986583268771 18.998 > 97 98 F 0.50801410224664 0.18232371075068 0.06986583268771 18.998 > 97 99 F 0.00801410224664 0.68232371075068 0.06986583268771 18.998 > 97 100 F 0.50801410224664 0.68232371075068 0.06986583268771 18.998 > 97 101 F 0.00801410224664 0.18232371075068 0.56986583268771 18.998 > 97 102 F 0.50801410224664 0.18232371075068 0.56986583268771 18.998 > 97 103 F 0.00801410224664 0.68232371075068 0.56986583268771 18.998 > 97 104 F 0.50801410224664 0.68232371075068 0.56986583268771 18.998 > 97 105 F 0.31767628924932 0.32569039149596 0.06986583268771 18.998 > 105 106 F 0.81767628924932 0.32569039149596 0.06986583268771 18.998 > 105 107 F 0.31767628924932 0.82569039149596 0.06986583268771 18.998 > 105 108 F 0.81767628924932 0.82569039149596 0.06986583268771 18.998 > 105 109 F 0.31767628924932 0.32569039149596 0.56986583268771 18.998 > 105 110 F 0.81767628924932 0.32569039149596 0.56986583268771 18.998 > 105 111 F 0.31767628924932 0.82569039149596 0.56986583268771 18.998 > 105 112 F 0.81767628924932 0.82569039149596 0.56986583268771 18.998 > 105 113 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 113 114 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 113 115 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 113 116 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 113 117 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 113 118 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 113 119 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 113 120 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 113 121 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 121 122 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 121 123 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 121 124 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 121 125 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 121 126 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 121 127 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 121 128 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 121 129 Ga 0.33333333333333 0.16666666666667 0.37500000000000 69.723 > 129 130 Ga 0.83333333333333 0.16666666666667 0.37500000000000 69.723 > 129 131 Ga 0.33333333333333 0.66666666666667 0.37500000000000 69.723 > 129 132 Ga 0.83333333333333 0.66666666666667 0.37500000000000 69.723 > 129 133 Ga 0.33333333333333 0.16666666666667 0.87500000000000 69.723 > 129 134 Ga 0.83333333333333 0.16666666666667 0.87500000000000 69.723 > 129 135 Ga 0.33333333333333 0.66666666666667 0.87500000000000 69.723 > 129 136 Ga 0.83333333333333 0.66666666666667 0.87500000000000 69.723 > 129 137 Ga 0.16666666666667 0.33333333333333 0.12500000000000 69.723 > 137 138 Ga 0.66666666666667 0.33333333333333 0.12500000000000 69.723 > 137 139 Ga 0.16666666666667 0.83333333333333 0.12500000000000 69.723 > 137 140 Ga 0.66666666666667 0.83333333333333 0.12500000000000 69.723 > 137 141 Ga 0.16666666666667 0.33333333333333 0.62500000000000 69.723 > 137 142 Ga 0.66666666666667 0.33333333333333 0.62500000000000 69.723 > 137 143 Ga 0.16666666666667 0.83333333333333 0.62500000000000 69.723 > 137 144 Ga 0.66666666666667 0.83333333333333 0.62500000000000 69.723 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1949331 0.0000000 0.0000000 0.0000000 2.1949331 0.0000000 0.0000000 0.0000000 2.1840153 -------------------------- Born effective charges -------------------------- 1 Li 1.1312578 -0.0000000 0.0000000 0.0000000 1.1312578 -0.0000000 0.0000000 0.0000000 0.9145790 2 Li 1.1312578 -0.0000000 0.0000000 0.0000000 1.1312578 -0.0000000 0.0000000 0.0000000 0.9145790 3 F -0.9429089 -0.0599583 0.0162854 -0.0682888 -1.2172086 -0.3786708 0.0122852 -0.3791463 -1.0613290 4 F -1.2041663 0.0825483 0.3197958 0.0908788 -0.9559512 -0.2034390 0.3222078 -0.2002125 -1.0613290 5 F -1.0931011 -0.1550023 -0.3360812 -0.1466718 -1.0670164 -0.1752318 -0.3344930 -0.1789339 -1.0613290 6 F -0.9429089 0.0599583 0.0162854 0.0682888 -1.2172086 0.3786708 0.0122852 0.3791463 -1.0613290 7 F -0.9429089 0.0599583 0.0162854 0.0682888 -1.2172086 0.3786708 0.0122852 0.3791463 -1.0613290 8 F -1.0931011 0.1550023 -0.3360812 0.1466718 -1.0670164 0.1752318 -0.3344930 0.1789339 -1.0613290 9 F -1.2041663 -0.0825483 0.3197958 -0.0908788 -0.9559512 0.2034390 0.3222078 0.2002125 -1.0613290 10 F -1.0931011 -0.1550023 -0.3360812 -0.1466718 -1.0670164 -0.1752318 -0.3344930 -0.1789339 -1.0613290 11 F -1.0931011 0.1550023 -0.3360812 0.1466718 -1.0670164 0.1752318 -0.3344930 0.1789339 -1.0613290 12 F -1.2041663 0.0825483 0.3197958 0.0908788 -0.9559512 -0.2034390 0.3222078 -0.2002125 -1.0613290 13 F -0.9429089 -0.0599583 0.0162854 -0.0682888 -1.2172086 -0.3786708 0.0122852 -0.3791463 -1.0613290 14 F -1.2041663 -0.0825483 0.3197958 -0.0908788 -0.9559512 0.2034390 0.3222078 0.2002125 -1.0613290 15 Ca 2.3650091 0.1243245 0.0000000 -0.1243245 2.3650091 -0.0000000 0.0000000 0.0000000 2.5987010 16 Ca 2.3650091 -0.1243245 0.0000000 0.1243245 2.3650091 -0.0000000 0.0000000 0.0000000 2.5987010 17 Ga 2.9840855 -0.0000000 0.0000000 0.0000000 2.9840855 -0.0000000 0.0000000 0.0000000 2.8546937 18 Ga 2.9840855 -0.0000000 0.0000000 0.0000000 2.9840855 -0.0000000 0.0000000 0.0000000 2.8546937 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, 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[ 129, 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: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000012 (xy) 0.00000012 (xy) 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 00:10:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:10:42]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.074842299134041 0.000000000000000 0.000000000000000 b -2.537421149567020 4.394942351249906 0.000000000000000 c 0.000000000000000 0.000000000000000 9.718380390000000 Atomic positions (fractional): 1 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 2 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 3 F 0.98397179550672 0.63535257849863 0.86026833462459 18.998 4 F 0.01602820449328 0.65138078299192 0.36026833462459 18.998 5 F 0.63535257849863 0.98397179550672 0.36026833462459 18.998 6 F 0.34861921700808 0.36464742150137 0.36026833462459 18.998 7 F 0.65138078299192 0.63535257849863 0.63973166537541 18.998 8 F 0.65138078299192 0.01602820449328 0.86026833462459 18.998 9 F 0.36464742150137 0.34861921700808 0.86026833462459 18.998 10 F 0.36464742150137 0.01602820449328 0.63973166537541 18.998 11 F 0.34861921700808 0.98397179550672 0.13973166537541 18.998 12 F 0.98397179550672 0.34861921700808 0.63973166537541 18.998 13 F 0.01602820449328 0.36464742150137 0.13973166537541 18.998 14 F 0.63535257849863 0.65138078299192 0.13973166537541 18.998 15 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 16 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 17 Ga 0.66666666666667 0.33333333333333 0.75000000000000 69.723 18 Ga 0.33333333333333 0.66666666666667 0.25000000000000 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.149684598268083 0.000000000000000 0.000000000000000 b -5.074842299134040 8.789884702499812 0.000000000000000 c 0.000000000000000 0.000000000000000 19.436760780000000 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.37500000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.37500000000000 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.37500000000000 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.37500000000000 6.941 > 1 5 Li 0.16666666666667 0.33333333333333 0.87500000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.87500000000000 6.941 > 1 7 Li 0.16666666666667 0.83333333333333 0.87500000000000 6.941 > 1 8 Li 0.66666666666667 0.83333333333333 0.87500000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.12500000000000 6.941 > 9 10 Li 0.83333333333333 0.16666666666667 0.12500000000000 6.941 > 9 11 Li 0.33333333333333 0.66666666666667 0.12500000000000 6.941 > 9 12 Li 0.83333333333333 0.66666666666667 0.12500000000000 6.941 > 9 13 Li 0.33333333333333 0.16666666666667 0.62500000000000 6.941 > 9 14 Li 0.83333333333333 0.16666666666667 0.62500000000000 6.941 > 9 15 Li 0.33333333333333 0.66666666666667 0.62500000000000 6.941 > 9 16 Li 0.83333333333333 0.66666666666667 0.62500000000000 6.941 > 9 17 F 0.49198589775336 0.31767628924932 0.43013416731229 18.998 > 17 18 F 0.99198589775336 0.31767628924932 0.43013416731229 18.998 > 17 19 F 0.49198589775336 0.81767628924932 0.43013416731229 18.998 > 17 20 F 0.99198589775336 0.81767628924932 0.43013416731229 18.998 > 17 21 F 0.49198589775336 0.31767628924932 0.93013416731229 18.998 > 17 22 F 0.99198589775336 0.31767628924932 0.93013416731229 18.998 > 17 23 F 0.49198589775336 0.81767628924932 0.93013416731229 18.998 > 17 24 F 0.99198589775336 0.81767628924932 0.93013416731229 18.998 > 17 25 F 0.00801410224664 0.32569039149596 0.18013416731229 18.998 > 25 26 F 0.50801410224664 0.32569039149596 0.18013416731229 18.998 > 25 27 F 0.00801410224664 0.82569039149596 0.18013416731229 18.998 > 25 28 F 0.50801410224664 0.82569039149596 0.18013416731229 18.998 > 25 29 F 0.00801410224664 0.32569039149596 0.68013416731229 18.998 > 25 30 F 0.50801410224664 0.32569039149596 0.68013416731229 18.998 > 25 31 F 0.00801410224664 0.82569039149596 0.68013416731229 18.998 > 25 32 F 0.50801410224664 0.82569039149596 0.68013416731229 18.998 > 25 33 F 0.31767628924932 0.49198589775336 0.18013416731229 18.998 > 33 34 F 0.81767628924932 0.49198589775336 0.18013416731229 18.998 > 33 35 F 0.31767628924932 0.99198589775336 0.18013416731229 18.998 > 33 36 F 0.81767628924932 0.99198589775336 0.18013416731229 18.998 > 33 37 F 0.31767628924932 0.49198589775336 0.68013416731229 18.998 > 33 38 F 0.81767628924932 0.49198589775336 0.68013416731229 18.998 > 33 39 F 0.31767628924932 0.99198589775336 0.68013416731229 18.998 > 33 40 F 0.81767628924932 0.99198589775336 0.68013416731229 18.998 > 33 41 F 0.17430960850404 0.18232371075068 0.18013416731229 18.998 > 41 42 F 0.67430960850404 0.18232371075068 0.18013416731229 18.998 > 41 43 F 0.17430960850404 0.68232371075068 0.18013416731229 18.998 > 41 44 F 0.67430960850404 0.68232371075068 0.18013416731229 18.998 > 41 45 F 0.17430960850404 0.18232371075068 0.68013416731229 18.998 > 41 46 F 0.67430960850404 0.18232371075068 0.68013416731229 18.998 > 41 47 F 0.17430960850404 0.68232371075068 0.68013416731229 18.998 > 41 48 F 0.67430960850404 0.68232371075068 0.68013416731229 18.998 > 41 49 F 0.32569039149596 0.31767628924932 0.31986583268771 18.998 > 49 50 F 0.82569039149596 0.31767628924932 0.31986583268771 18.998 > 49 51 F 0.32569039149596 0.81767628924932 0.31986583268771 18.998 > 49 52 F 0.82569039149596 0.81767628924932 0.31986583268771 18.998 > 49 53 F 0.32569039149596 0.31767628924932 0.81986583268771 18.998 > 49 54 F 0.82569039149596 0.31767628924932 0.81986583268771 18.998 > 49 55 F 0.32569039149596 0.81767628924932 0.81986583268771 18.998 > 49 56 F 0.82569039149596 0.81767628924932 0.81986583268771 18.998 > 49 57 F 0.32569039149596 0.00801410224664 0.43013416731229 18.998 > 57 58 F 0.82569039149596 0.00801410224664 0.43013416731229 18.998 > 57 59 F 0.32569039149596 0.50801410224664 0.43013416731229 18.998 > 57 60 F 0.82569039149596 0.50801410224664 0.43013416731229 18.998 > 57 61 F 0.32569039149596 0.00801410224664 0.93013416731229 18.998 > 57 62 F 0.82569039149596 0.00801410224664 0.93013416731229 18.998 > 57 63 F 0.32569039149596 0.50801410224664 0.93013416731229 18.998 > 57 64 F 0.82569039149596 0.50801410224664 0.93013416731229 18.998 > 57 65 F 0.18232371075068 0.17430960850404 0.43013416731229 18.998 > 65 66 F 0.68232371075068 0.17430960850404 0.43013416731229 18.998 > 65 67 F 0.18232371075068 0.67430960850404 0.43013416731229 18.998 > 65 68 F 0.68232371075068 0.67430960850404 0.43013416731229 18.998 > 65 69 F 0.18232371075068 0.17430960850404 0.93013416731229 18.998 > 65 70 F 0.68232371075068 0.17430960850404 0.93013416731229 18.998 > 65 71 F 0.18232371075068 0.67430960850404 0.93013416731229 18.998 > 65 72 F 0.68232371075068 0.67430960850404 0.93013416731229 18.998 > 65 73 F 0.18232371075068 0.00801410224664 0.31986583268771 18.998 > 73 74 F 0.68232371075068 0.00801410224664 0.31986583268771 18.998 > 73 75 F 0.18232371075068 0.50801410224664 0.31986583268771 18.998 > 73 76 F 0.68232371075068 0.50801410224664 0.31986583268771 18.998 > 73 77 F 0.18232371075068 0.00801410224664 0.81986583268771 18.998 > 73 78 F 0.68232371075068 0.00801410224664 0.81986583268771 18.998 > 73 79 F 0.18232371075068 0.50801410224664 0.81986583268771 18.998 > 73 80 F 0.68232371075068 0.50801410224664 0.81986583268771 18.998 > 73 81 F 0.17430960850404 0.49198589775336 0.06986583268771 18.998 > 81 82 F 0.67430960850404 0.49198589775336 0.06986583268771 18.998 > 81 83 F 0.17430960850404 0.99198589775336 0.06986583268771 18.998 > 81 84 F 0.67430960850404 0.99198589775336 0.06986583268771 18.998 > 81 85 F 0.17430960850404 0.49198589775336 0.56986583268771 18.998 > 81 86 F 0.67430960850404 0.49198589775336 0.56986583268771 18.998 > 81 87 F 0.17430960850404 0.99198589775336 0.56986583268771 18.998 > 81 88 F 0.67430960850404 0.99198589775336 0.56986583268771 18.998 > 81 89 F 0.49198589775336 0.17430960850404 0.31986583268771 18.998 > 89 90 F 0.99198589775336 0.17430960850404 0.31986583268771 18.998 > 89 91 F 0.49198589775336 0.67430960850404 0.31986583268771 18.998 > 89 92 F 0.99198589775336 0.67430960850404 0.31986583268771 18.998 > 89 93 F 0.49198589775336 0.17430960850404 0.81986583268771 18.998 > 89 94 F 0.99198589775336 0.17430960850404 0.81986583268771 18.998 > 89 95 F 0.49198589775336 0.67430960850404 0.81986583268771 18.998 > 89 96 F 0.99198589775336 0.67430960850404 0.81986583268771 18.998 > 89 97 F 0.00801410224664 0.18232371075068 0.06986583268771 18.998 > 97 98 F 0.50801410224664 0.18232371075068 0.06986583268771 18.998 > 97 99 F 0.00801410224664 0.68232371075068 0.06986583268771 18.998 > 97 100 F 0.50801410224664 0.68232371075068 0.06986583268771 18.998 > 97 101 F 0.00801410224664 0.18232371075068 0.56986583268771 18.998 > 97 102 F 0.50801410224664 0.18232371075068 0.56986583268771 18.998 > 97 103 F 0.00801410224664 0.68232371075068 0.56986583268771 18.998 > 97 104 F 0.50801410224664 0.68232371075068 0.56986583268771 18.998 > 97 105 F 0.31767628924932 0.32569039149596 0.06986583268771 18.998 > 105 106 F 0.81767628924932 0.32569039149596 0.06986583268771 18.998 > 105 107 F 0.31767628924932 0.82569039149596 0.06986583268771 18.998 > 105 108 F 0.81767628924932 0.82569039149596 0.06986583268771 18.998 > 105 109 F 0.31767628924932 0.32569039149596 0.56986583268771 18.998 > 105 110 F 0.81767628924932 0.32569039149596 0.56986583268771 18.998 > 105 111 F 0.31767628924932 0.82569039149596 0.56986583268771 18.998 > 105 112 F 0.81767628924932 0.82569039149596 0.56986583268771 18.998 > 105 113 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 113 114 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 113 115 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 113 116 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 113 117 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 113 118 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 113 119 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 113 120 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 113 121 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 121 122 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 121 123 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 121 124 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 121 125 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 121 126 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 121 127 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 121 128 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 121 129 Ga 0.33333333333333 0.16666666666667 0.37500000000000 69.723 > 129 130 Ga 0.83333333333333 0.16666666666667 0.37500000000000 69.723 > 129 131 Ga 0.33333333333333 0.66666666666667 0.37500000000000 69.723 > 129 132 Ga 0.83333333333333 0.66666666666667 0.37500000000000 69.723 > 129 133 Ga 0.33333333333333 0.16666666666667 0.87500000000000 69.723 > 129 134 Ga 0.83333333333333 0.16666666666667 0.87500000000000 69.723 > 129 135 Ga 0.33333333333333 0.66666666666667 0.87500000000000 69.723 > 129 136 Ga 0.83333333333333 0.66666666666667 0.87500000000000 69.723 > 129 137 Ga 0.16666666666667 0.33333333333333 0.12500000000000 69.723 > 137 138 Ga 0.66666666666667 0.33333333333333 0.12500000000000 69.723 > 137 139 Ga 0.16666666666667 0.83333333333333 0.12500000000000 69.723 > 137 140 Ga 0.66666666666667 0.83333333333333 0.12500000000000 69.723 > 137 141 Ga 0.16666666666667 0.33333333333333 0.62500000000000 69.723 > 137 142 Ga 0.66666666666667 0.33333333333333 0.62500000000000 69.723 > 137 143 Ga 0.16666666666667 0.83333333333333 0.62500000000000 69.723 > 137 144 Ga 0.66666666666667 0.83333333333333 0.62500000000000 69.723 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1949331 0.0000000 0.0000000 0.0000000 2.1949331 0.0000000 0.0000000 0.0000000 2.1840153 -------------------------- Born effective charges -------------------------- 1 Li 1.1312578 -0.0000000 0.0000000 0.0000000 1.1312578 -0.0000000 0.0000000 0.0000000 0.9145790 2 Li 1.1312578 -0.0000000 0.0000000 0.0000000 1.1312578 -0.0000000 0.0000000 0.0000000 0.9145790 3 F -0.9429089 -0.0599583 0.0162854 -0.0682888 -1.2172086 -0.3786708 0.0122852 -0.3791463 -1.0613290 4 F -1.2041663 0.0825483 0.3197958 0.0908788 -0.9559512 -0.2034390 0.3222078 -0.2002125 -1.0613290 5 F -1.0931011 -0.1550023 -0.3360812 -0.1466718 -1.0670164 -0.1752318 -0.3344930 -0.1789339 -1.0613290 6 F -0.9429089 0.0599583 0.0162854 0.0682888 -1.2172086 0.3786708 0.0122852 0.3791463 -1.0613290 7 F -0.9429089 0.0599583 0.0162854 0.0682888 -1.2172086 0.3786708 0.0122852 0.3791463 -1.0613290 8 F -1.0931011 0.1550023 -0.3360812 0.1466718 -1.0670164 0.1752318 -0.3344930 0.1789339 -1.0613290 9 F -1.2041663 -0.0825483 0.3197958 -0.0908788 -0.9559512 0.2034390 0.3222078 0.2002125 -1.0613290 10 F -1.0931011 -0.1550023 -0.3360812 -0.1466718 -1.0670164 -0.1752318 -0.3344930 -0.1789339 -1.0613290 11 F -1.0931011 0.1550023 -0.3360812 0.1466718 -1.0670164 0.1752318 -0.3344930 0.1789339 -1.0613290 12 F -1.2041663 0.0825483 0.3197958 0.0908788 -0.9559512 -0.2034390 0.3222078 -0.2002125 -1.0613290 13 F -0.9429089 -0.0599583 0.0162854 -0.0682888 -1.2172086 -0.3786708 0.0122852 -0.3791463 -1.0613290 14 F -1.2041663 -0.0825483 0.3197958 -0.0908788 -0.9559512 0.2034390 0.3222078 0.2002125 -1.0613290 15 Ca 2.3650091 0.1243245 0.0000000 -0.1243245 2.3650091 -0.0000000 0.0000000 0.0000000 2.5987010 16 Ca 2.3650091 -0.1243245 0.0000000 0.1243245 2.3650091 -0.0000000 0.0000000 0.0000000 2.5987010 17 Ga 2.9840855 -0.0000000 0.0000000 0.0000000 2.9840855 -0.0000000 0.0000000 0.0000000 2.8546937 18 Ga 2.9840855 -0.0000000 0.0000000 0.0000000 2.9840855 -0.0000000 0.0000000 0.0000000 2.8546937 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) --------------------------- 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 ... [ 11 11 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.69, Number of G-points: 325, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/68) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 68 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 2.718 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.351 ( 0.000 0.000 0.000) 0.000 6.351 ( 0.000 0.000 0.000) 0.000 6.474 ( 0.000 0.000 0.000) 0.000 7.147 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.472 ( 0.000 0.000 0.000) 0.000 7.947 ( 0.000 0.000 0.000) 0.000 7.947 ( 0.000 0.000 0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 8.540 ( 0.000 0.000 0.000) 0.000 9.584 ( 0.000 0.000 0.000) 0.000 9.584 ( 0.000 0.000 0.000) 0.000 9.800 ( 0.000 0.000 0.000) 0.000 9.800 ( 0.000 0.000 0.000) 0.000 9.903 ( 0.000 0.000 0.000) 0.000 10.485 ( 0.000 0.000 0.000) 0.000 10.841 ( 0.000 0.000 0.000) 0.000 11.048 ( 0.000 0.000 0.000) 0.000 11.048 ( 0.000 0.000 0.000) 0.000 11.059 ( 0.000 0.000 0.000) 0.000 11.095 ( 0.000 0.000 0.000) 0.000 11.095 ( 0.000 0.000 0.000) 0.000 12.053 ( 0.000 0.000 0.000) 0.000 12.053 ( 0.000 0.000 0.000) 0.000 12.181 ( 0.000 0.000 0.000) 0.000 12.181 ( 0.000 0.000 0.000) 0.000 14.047 ( 0.000 0.000 0.000) 0.000 14.341 ( 0.000 0.000 0.000) 0.000 14.341 ( 0.000 0.000 0.000) 0.000 14.446 ( 0.000 0.000 0.000) 0.000 14.446 ( 0.000 0.000 0.000) 0.000 15.989 ( 0.000 0.000 0.000) 0.000 16.370 ( 0.000 0.000 0.000) 0.000 17.094 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/68) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 20.869 12.049 0.000) 24.097 0.828 ( 33.823 19.528 0.000) 39.055 1.158 ( 47.472 27.408 0.000) 54.816 2.667 ( -4.084 -2.358 0.000) 4.716 2.759 ( 3.409 1.968 0.000) 3.937 3.226 ( -9.328 -5.385 0.000) 10.770 3.633 ( 3.581 2.068 0.000) 4.135 3.635 ( 3.766 2.174 0.000) 4.349 3.817 ( 1.601 0.924 0.000) 1.849 4.448 ( -8.564 -4.945 0.000) 9.889 4.538 ( -4.417 -2.550 0.000) 5.100 4.982 ( 7.662 4.423 0.000) 8.847 5.222 ( -17.652 -10.191 0.000) 20.382 5.301 ( 5.832 3.367 0.000) 6.734 5.542 ( 0.295 0.170 0.000) 0.340 5.954 ( -17.865 -10.314 0.000) 20.628 6.101 ( -5.797 -3.347 0.000) 6.693 6.308 ( 9.654 5.574 0.000) 11.147 6.541 ( 10.706 6.181 0.000) 12.362 6.726 ( 3.999 2.309 0.000) 4.617 6.945 ( -16.545 -9.553 0.000) 19.105 7.154 ( -5.601 -3.233 0.000) 6.467 7.190 ( 5.613 3.241 0.000) 6.482 7.346 ( 6.642 3.835 0.000) 7.669 7.656 ( 7.643 4.412 0.000) 8.825 7.885 ( -2.990 -1.726 0.000) 3.452 7.997 ( 2.735 1.579 0.000) 3.158 8.000 ( 2.718 1.569 0.000) 3.138 8.538 ( -0.125 -0.072 0.000) 0.145 8.743 ( -4.298 -2.482 0.000) 4.963 9.541 ( -3.521 -2.033 0.000) 4.066 9.591 ( -0.013 -0.008 0.000) 0.015 9.745 ( -11.183 -6.457 0.000) 12.913 9.769 ( -2.443 -1.411 0.000) 2.821 10.397 ( -6.830 -3.943 0.000) 7.886 10.550 ( -15.050 -8.689 0.000) 17.378 10.697 ( 8.120 4.688 0.000) 9.376 11.034 ( -0.212 -0.123 0.000) 0.245 11.115 ( 5.342 3.084 0.000) 6.169 11.118 ( 1.360 0.785 0.000) 1.570 11.247 ( 8.589 4.959 0.000) 9.917 11.376 ( 14.099 8.140 0.000) 16.280 12.107 ( 4.222 2.438 0.000) 4.875 12.228 ( 3.984 2.300 0.000) 4.601 12.241 ( 4.764 2.750 0.000) 5.500 13.312 ( -0.693 -0.400 0.000) 0.801 14.025 ( -1.624 -0.937 0.000) 1.875 14.358 ( 1.367 0.789 0.000) 1.578 14.451 ( 0.469 0.271 0.000) 0.541 14.454 ( 0.667 0.385 0.000) 0.770 15.985 ( -0.249 -0.144 0.000) 0.288 16.363 ( -0.532 -0.307 0.000) 0.615 16.926 ( -13.634 -7.871 0.000) 15.743 17.149 ( -2.308 -1.332 0.000) 2.665 ======================= Grid point 2 (3/68) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 18.890 10.906 0.000) 21.812 1.592 ( 29.585 17.081 0.000) 34.162 2.239 ( 42.269 24.404 0.000) 48.808 2.538 ( -6.353 -3.668 0.000) 7.336 2.879 ( 6.600 3.811 0.000) 7.621 3.009 ( -8.464 -4.886 0.000) 9.773 3.638 ( -3.400 -1.963 0.000) 3.926 3.751 ( 5.635 3.253 0.000) 6.507 3.879 ( 2.608 1.505 0.000) 3.011 4.256 ( -6.923 -3.997 0.000) 7.994 4.397 ( -7.372 -4.256 0.000) 8.513 4.714 ( -19.546 -11.285 0.000) 22.570 5.202 ( 7.770 4.486 0.000) 8.972 5.393 ( 0.319 0.184 0.000) 0.369 5.527 ( -5.270 -3.043 0.000) 6.085 5.674 ( -1.483 -0.856 0.000) 1.712 5.981 ( -4.599 -2.655 0.000) 5.311 6.489 ( -14.226 -8.213 0.000) 16.427 6.517 ( 5.190 2.996 0.000) 5.993 6.719 ( -7.089 -4.093 0.000) 8.186 6.823 ( 12.529 7.233 0.000) 14.467 7.006 ( -3.947 -2.279 0.000) 4.557 7.394 ( -4.463 -2.577 0.000) 5.154 7.403 ( 9.493 5.481 0.000) 10.962 7.764 ( 1.423 0.821 0.000) 1.643 7.911 ( 5.772 3.333 0.000) 6.665 8.066 ( 2.811 1.623 0.000) 3.246 8.101 ( 5.894 3.403 0.000) 6.806 8.535 ( -0.046 -0.027 0.000) 0.053 8.631 ( -4.466 -2.579 0.000) 5.157 9.392 ( -11.178 -6.454 0.000) 12.907 9.475 ( -8.031 -4.637 0.000) 9.274 9.554 ( -3.165 -1.827 0.000) 3.655 9.683 ( -5.233 -3.021 0.000) 6.042 10.190 ( -9.637 -5.564 0.000) 11.128 10.229 ( -11.159 -6.443 0.000) 12.885 10.883 ( 6.543 3.778 0.000) 7.555 11.031 ( 0.232 0.134 0.000) 0.268 11.134 ( 0.523 0.302 0.000) 0.604 11.289 ( 9.029 5.213 0.000) 10.426 11.530 ( 13.311 7.685 0.000) 15.371 11.674 ( 10.728 6.194 0.000) 12.388 12.200 ( 2.534 1.463 0.000) 2.926 12.391 ( 7.363 4.251 0.000) 8.503 12.396 ( 10.161 5.866 0.000) 11.733 13.288 ( -1.328 -0.767 0.000) 1.533 13.981 ( -1.844 -1.065 0.000) 2.129 14.401 ( 1.997 1.153 0.000) 2.306 14.470 ( 1.165 0.672 0.000) 1.345 14.475 ( 1.111 0.641 0.000) 1.282 15.979 ( -0.307 -0.177 0.000) 0.354 16.348 ( -0.623 -0.360 0.000) 0.719 16.475 ( -23.221 -13.406 0.000) 26.813 17.068 ( -4.453 -2.571 0.000) 5.142 ======================= Grid point 3 (4/68) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 16.080 9.284 0.000) 18.568 2.183 ( 14.326 8.271 0.000) 16.542 2.408 ( 0.517 0.299 0.000) 0.597 2.828 ( -6.701 -3.869 0.000) 7.738 3.029 ( 12.768 7.371 0.000) 14.743 3.168 ( 27.000 15.588 0.000) 31.177 3.460 ( -11.254 -6.497 0.000) 12.995 3.801 ( -11.704 -6.757 0.000) 13.514 3.903 ( 7.081 4.088 0.000) 8.177 4.132 ( -3.526 -2.036 0.000) 4.072 4.209 ( -6.889 -3.978 0.000) 7.955 4.488 ( 4.692 2.709 0.000) 5.418 5.305 ( -8.723 -5.036 0.000) 10.072 5.371 ( 6.201 3.580 0.000) 7.161 5.411 ( -2.204 -1.272 0.000) 2.545 5.645 ( -2.966 -1.712 0.000) 3.424 5.868 ( -4.945 -2.855 0.000) 5.710 6.367 ( 4.780 2.760 0.000) 5.520 6.437 ( -9.605 -5.546 0.000) 11.091 6.512 ( -9.664 -5.580 0.000) 11.159 7.018 ( -4.273 -2.467 0.000) 4.934 7.109 ( 11.820 6.824 0.000) 13.649 7.306 ( 5.230 3.019 0.000) 6.039 7.537 ( 0.530 0.306 0.000) 0.613 7.759 ( -1.187 -0.685 0.000) 1.370 8.048 ( 4.302 2.484 0.000) 4.967 8.132 ( 2.840 1.639 0.000) 3.279 8.255 ( 5.154 2.976 0.000) 5.951 8.543 ( -2.687 -1.552 0.000) 3.103 8.553 ( 2.152 1.242 0.000) 2.485 9.083 ( -12.672 -7.316 0.000) 14.633 9.333 ( -4.958 -2.863 0.000) 5.725 9.458 ( -4.615 -2.664 0.000) 5.329 9.493 ( -10.182 -5.878 0.000) 11.757 9.946 ( -10.364 -5.984 0.000) 11.967 10.060 ( -3.239 -1.870 0.000) 3.740 10.964 ( 0.529 0.305 0.000) 0.611 11.082 ( 3.211 1.854 0.000) 3.708 11.150 ( 1.332 0.769 0.000) 1.538 11.536 ( 11.285 6.515 0.000) 13.031 11.827 ( 10.864 6.272 0.000) 12.544 11.899 ( 8.423 4.863 0.000) 9.726 12.231 ( 0.510 0.294 0.000) 0.589 12.574 ( 7.668 4.427 0.000) 8.854 12.661 ( 10.854 6.266 0.000) 12.533 13.246 ( -2.297 -1.326 0.000) 2.653 13.947 ( -0.816 -0.471 0.000) 0.943 14.433 ( 0.239 0.138 0.000) 0.276 14.510 ( 2.186 1.262 0.000) 2.524 14.512 ( 1.882 1.087 0.000) 2.173 15.870 ( -26.173 -15.111 0.000) 30.222 15.969 ( -0.578 -0.334 0.000) 0.668 16.343 ( 0.466 0.269 0.000) 0.538 16.940 ( -6.156 -3.554 0.000) 7.108 ======================= Grid point 4 (5/68) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 13.869 8.007 0.000) 16.014 2.090 ( -10.420 -6.016 0.000) 12.032 2.611 ( -3.479 -2.009 0.000) 4.017 2.791 ( 10.465 6.042 0.000) 12.084 3.172 ( -9.654 -5.574 0.000) 11.147 3.251 ( 7.623 4.401 0.000) 8.802 3.485 ( -11.654 -6.729 0.000) 13.457 3.660 ( 11.342 6.548 0.000) 13.096 3.959 ( -2.426 -1.400 0.000) 2.801 4.055 ( -3.498 -2.019 0.000) 4.039 4.279 ( 12.790 7.384 0.000) 14.768 4.806 ( 17.904 10.337 0.000) 20.673 5.030 ( -11.651 -6.727 0.000) 13.453 5.358 ( -3.102 -1.791 0.000) 3.582 5.494 ( 4.150 2.396 0.000) 4.792 5.658 ( 4.433 2.560 0.000) 5.119 5.748 ( -4.833 -2.790 0.000) 5.580 6.205 ( -8.110 -4.682 0.000) 9.365 6.264 ( -10.082 -5.821 0.000) 11.642 6.597 ( 11.153 6.439 0.000) 12.879 6.733 ( -15.411 -8.897 0.000) 17.795 7.416 ( 12.683 7.322 0.000) 14.645 7.473 ( -4.172 -2.409 0.000) 4.817 7.566 ( 11.845 6.839 0.000) 13.677 7.691 ( -4.372 -2.524 0.000) 5.048 8.111 ( 1.190 0.687 0.000) 1.374 8.173 ( -0.679 -0.392 0.000) 0.784 8.304 ( 0.033 0.019 0.000) 0.038 8.520 ( 1.076 0.621 0.000) 1.242 8.625 ( 2.503 1.445 0.000) 2.891 8.824 ( -8.440 -4.873 0.000) 9.746 9.216 ( -11.550 -6.668 0.000) 13.336 9.238 ( -2.930 -1.691 0.000) 3.383 9.371 ( -3.114 -1.798 0.000) 3.596 9.731 ( -7.065 -4.079 0.000) 8.158 10.035 ( 0.476 0.275 0.000) 0.550 10.966 ( 0.082 0.047 0.000) 0.094 11.102 ( -0.772 -0.446 0.000) 0.891 11.223 ( 3.554 2.052 0.000) 4.104 11.795 ( 9.393 5.423 0.000) 10.846 12.034 ( 6.437 3.717 0.000) 7.433 12.065 ( 4.290 2.477 0.000) 4.953 12.271 ( 4.752 2.744 0.000) 5.487 12.749 ( 6.944 4.009 0.000) 8.018 12.873 ( 6.285 3.629 0.000) 7.257 13.172 ( -3.917 -2.262 0.000) 4.523 13.948 ( 1.096 0.633 0.000) 1.266 14.394 ( -4.311 -2.489 0.000) 4.977 14.545 ( 0.586 0.338 0.000) 0.677 14.570 ( 2.689 1.552 0.000) 3.105 15.304 ( -19.089 -11.021 0.000) 22.042 15.950 ( -0.878 -0.507 0.000) 1.014 16.378 ( 2.573 1.485 0.000) 2.971 16.781 ( -6.921 -3.996 0.000) 7.992 ======================= Grid point 5 (6/68) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -6.357 -3.670 0.000) 7.340 2.082 ( 11.942 6.895 0.000) 13.789 2.413 ( -10.220 -5.900 0.000) 11.801 2.891 ( -1.479 -0.854 0.000) 1.707 3.182 ( 6.458 3.729 0.000) 7.457 3.288 ( -4.847 -2.798 0.000) 5.596 3.366 ( 1.936 1.118 0.000) 2.235 3.784 ( 1.494 0.863 0.000) 1.725 3.962 ( 1.742 1.006 0.000) 2.012 3.967 ( -3.017 -1.742 0.000) 3.484 4.517 ( 4.265 2.463 0.000) 4.925 4.853 ( -2.245 -1.296 0.000) 2.593 5.186 ( 10.414 6.013 0.000) 12.026 5.278 ( -2.612 -1.508 0.000) 3.016 5.580 ( 3.380 1.951 0.000) 3.903 5.654 ( -2.963 -1.711 0.000) 3.422 5.804 ( 6.387 3.688 0.000) 7.375 6.047 ( -7.364 -4.251 0.000) 8.503 6.111 ( 1.376 0.794 0.000) 1.588 6.359 ( -14.149 -8.169 0.000) 16.338 6.815 ( 5.569 3.215 0.000) 6.431 7.393 ( -1.923 -1.110 0.000) 2.220 7.600 ( -2.170 -1.253 0.000) 2.506 7.658 ( 6.282 3.627 0.000) 7.254 7.777 ( 4.606 2.659 0.000) 5.318 8.101 ( -3.385 -1.954 0.000) 3.909 8.130 ( 0.937 0.541 0.000) 1.083 8.298 ( -0.358 -0.206 0.000) 0.413 8.572 ( 2.146 1.239 0.000) 2.478 8.645 ( -0.286 -0.165 0.000) 0.330 8.690 ( -2.992 -1.727 0.000) 3.455 8.987 ( -6.107 -3.526 0.000) 7.051 9.193 ( -0.870 -0.502 0.000) 1.005 9.319 ( -1.126 -0.650 0.000) 1.300 9.621 ( -2.159 -1.247 0.000) 2.493 10.055 ( 0.738 0.426 0.000) 0.852 10.972 ( 0.283 0.164 0.000) 0.327 11.079 ( -0.788 -0.455 0.000) 0.910 11.285 ( 1.404 0.810 0.000) 1.621 11.951 ( 3.434 1.982 0.000) 3.965 12.093 ( -0.410 -0.236 0.000) 0.473 12.135 ( 2.086 1.204 0.000) 2.409 12.452 ( 6.945 4.009 0.000) 8.019 12.905 ( 5.955 3.438 0.000) 6.876 12.949 ( 0.474 0.274 0.000) 0.547 13.061 ( -5.114 -2.953 0.000) 5.905 14.015 ( 5.018 2.897 0.000) 5.795 14.206 ( -9.889 -5.709 0.000) 11.419 14.548 ( -0.049 -0.028 0.000) 0.056 14.622 ( 1.300 0.751 0.000) 1.501 15.027 ( -4.657 -2.689 0.000) 5.378 15.933 ( -0.447 -0.258 0.000) 0.516 16.463 ( 4.168 2.406 0.000) 4.813 16.623 ( -5.804 -3.351 0.000) 6.702 ======================= Grid point 12 (7/68) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 15.214 26.352 14.937) 33.897 1.159 ( 14.378 24.903 15.005) 32.436 1.989 ( 25.201 43.650 -16.170) 52.933 2.628 ( -0.919 -1.592 -10.859) 11.013 2.773 ( -0.143 -0.249 19.809) 19.811 3.086 ( -3.725 -6.452 -10.172) 12.608 3.662 ( -0.658 -1.140 -0.043) 1.317 3.709 ( 2.906 5.033 -3.213) 6.641 3.872 ( 2.818 4.880 2.735) 6.264 4.270 ( -5.736 -9.934 5.381) 12.670 4.461 ( -3.133 -5.427 -2.413) 6.715 4.864 ( -11.623 -20.132 -5.819) 23.964 5.159 ( 4.353 7.540 -1.394) 8.817 5.315 ( -2.211 -3.829 -2.319) 4.992 5.564 ( 1.976 3.423 -2.982) 4.951 5.678 ( -6.720 -11.640 -2.556) 13.682 6.064 ( -0.846 -1.465 10.949) 11.079 6.476 ( 4.931 8.541 -2.700) 10.226 6.623 ( -7.276 -12.602 2.589) 14.780 6.704 ( -3.085 -5.343 0.892) 6.234 6.771 ( 5.935 10.280 3.430) 12.355 7.014 ( -4.425 -7.665 -1.491) 8.975 7.354 ( 5.619 9.733 5.434) 12.483 7.468 ( 3.368 5.833 -9.873) 11.952 7.733 ( -0.631 -1.093 2.940) 3.200 7.787 ( -1.876 -3.249 -1.321) 3.978 8.067 ( 4.218 7.305 -5.351) 9.989 8.113 ( 3.452 5.980 -0.774) 6.948 8.533 ( -0.272 -0.472 -3.148) 3.195 8.648 ( -3.431 -5.942 10.178) 12.275 9.412 ( -3.881 -6.722 3.814) 8.649 9.531 ( -7.379 -12.781 -1.108) 14.799 9.637 ( -0.104 -0.179 -6.579) 6.582 9.699 ( -2.710 -4.694 2.953) 6.172 10.250 ( -5.453 -9.445 1.924) 11.074 10.301 ( -7.488 -12.969 0.118) 14.976 10.865 ( 5.226 9.052 -0.473) 10.463 11.048 ( 0.612 1.059 1.323) 1.802 11.135 ( 1.476 2.556 0.821) 3.064 11.251 ( 2.771 4.799 2.844) 6.228 11.359 ( 5.669 9.819 -10.715) 15.600 11.607 ( 6.842 11.850 2.510) 13.912 12.225 ( 4.604 7.974 0.258) 9.211 12.289 ( 2.295 3.975 0.511) 4.618 12.373 ( 5.331 9.234 -1.909) 10.832 13.285 ( -1.210 -2.095 10.772) 11.040 13.995 ( -1.010 -1.749 -2.821) 3.469 14.387 ( 1.126 1.950 -0.922) 2.433 14.453 ( 0.179 0.311 1.124) 1.180 14.484 ( 1.130 1.958 -1.867) 2.932 15.982 ( -0.084 -0.146 -0.537) 0.562 16.351 ( -0.530 -0.917 -0.553) 1.195 16.618 ( -12.200 -21.131 1.487) 24.445 17.095 ( -2.260 -3.915 -2.679) 5.255 ======================= Grid point 13 (8/68) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.959 28.763 10.978) 30.802 1.855 ( 30.817 10.648 11.035) 34.422 2.500 ( -6.136 2.503 -3.768) 7.623 2.755 ( 6.534 -2.994 9.815) 12.165 2.917 ( 19.699 24.901 -10.310) 33.382 3.006 ( 0.861 1.372 -6.854) 7.043 3.556 ( -6.644 -6.552 1.754) 9.495 3.844 ( 4.359 6.884 -7.455) 11.044 3.980 ( -3.043 7.880 2.887) 8.927 4.088 ( -1.626 -9.832 4.224) 10.824 4.312 ( -7.550 -4.817 -2.913) 9.417 4.453 ( -6.422 -14.106 -4.358) 16.100 5.203 ( 1.293 -13.777 -5.877) 15.034 5.271 ( 3.012 -0.109 -0.898) 3.145 5.503 ( -7.795 -0.422 -2.395) 8.166 5.628 ( 2.305 -2.849 -0.001) 3.664 6.026 ( -3.765 4.393 12.394) 13.678 6.388 ( -6.477 -1.098 -0.230) 6.574 6.484 ( -2.760 -8.171 -3.065) 9.153 6.608 ( -5.953 -4.682 1.070) 7.649 6.991 ( 7.330 5.201 -1.598) 9.129 7.060 ( 8.042 14.692 1.482) 16.814 7.403 ( -11.605 3.533 5.335) 13.253 7.555 ( 2.591 7.098 -4.865) 8.987 7.719 ( 4.939 -6.455 6.139) 10.185 7.802 ( 8.038 -6.905 -0.553) 10.610 8.133 ( 0.201 1.554 -1.609) 2.246 8.318 ( 3.329 13.735 -6.377) 15.505 8.521 ( 0.836 -1.453 -4.440) 4.746 8.532 ( -1.663 -6.315 6.671) 9.335 9.217 ( -10.851 -8.019 2.140) 13.661 9.311 ( -1.810 -9.848 0.195) 10.015 9.553 ( -6.222 -1.887 -4.303) 7.797 9.585 ( -5.641 -5.722 -1.101) 8.110 10.036 ( -7.761 -8.491 3.324) 11.974 10.076 ( -4.293 -7.484 0.617) 8.650 11.018 ( 2.049 7.062 -0.055) 7.354 11.062 ( -1.089 3.166 0.236) 3.356 11.185 ( -1.261 5.224 1.084) 5.482 11.375 ( 9.915 1.134 3.159) 10.468 11.629 ( 13.290 4.887 -9.474) 17.037 11.828 ( 6.454 7.648 3.723) 10.677 12.302 ( -3.412 7.070 0.754) 7.887 12.472 ( 11.181 3.168 2.317) 11.850 12.592 ( 5.966 12.361 -5.638) 14.838 13.234 ( -0.656 -3.974 11.222) 11.923 13.961 ( -1.149 -0.828 -3.288) 3.580 14.430 ( 1.079 1.657 -0.660) 2.085 14.468 ( 1.409 0.389 1.266) 1.934 14.530 ( 0.960 3.305 -2.313) 4.147 15.980 ( -0.334 0.420 -1.476) 1.571 16.088 ( -19.419 -22.796 1.121) 29.967 16.337 ( -0.339 -0.877 1.823) 2.051 16.989 ( -4.264 -4.975 -2.957) 7.188 ======================= Grid point 14 (9/68) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 3.578 21.005 6.979) 22.422 2.295 ( -8.386 6.550 -2.604) 10.954 2.488 ( 17.228 5.254 8.369) 19.861 2.737 ( -1.335 -3.075 -1.311) 3.599 3.092 ( 10.193 -0.722 -0.713) 10.243 3.302 ( -10.559 -6.925 2.810) 12.936 3.500 ( 14.431 11.171 -3.468) 18.576 3.711 ( -18.700 -2.602 -7.096) 20.169 3.884 ( -1.641 -8.000 1.791) 8.360 4.116 ( 0.541 -5.559 5.313) 7.708 4.229 ( 3.933 14.828 -5.185) 16.193 4.548 ( 18.335 0.246 -2.160) 18.464 5.089 ( -0.662 -11.712 -2.224) 11.940 5.200 ( -5.435 -13.772 -5.623) 15.837 5.361 ( 4.838 -6.169 -1.273) 7.942 5.692 ( 0.395 7.468 3.255) 8.156 5.966 ( -9.587 5.768 5.456) 12.448 6.274 ( -3.426 -8.085 -2.880) 9.241 6.385 ( -8.815 -3.570 -2.144) 9.749 6.515 ( 5.348 7.910 2.377) 9.839 7.051 ( -18.414 6.448 2.308) 19.646 7.283 ( 10.465 9.938 -1.765) 14.540 7.449 ( 9.040 8.310 -0.317) 12.283 7.564 ( -4.563 2.099 2.378) 5.557 7.702 ( -0.567 -3.578 4.958) 6.141 7.947 ( 14.296 -8.379 3.462) 16.928 8.139 ( -0.219 0.047 -1.350) 1.368 8.368 ( -4.265 0.169 -6.715) 7.957 8.473 ( 0.954 -3.694 2.880) 4.781 8.600 ( 4.102 4.111 -3.565) 6.815 8.945 ( -10.751 -5.251 3.111) 12.363 9.203 ( -0.522 -8.138 0.180) 8.157 9.344 ( -10.077 -8.019 -4.943) 13.795 9.456 ( -4.936 0.720 -1.976) 5.366 9.816 ( -7.949 -5.674 3.063) 10.235 9.996 ( 1.174 -4.222 0.486) 4.409 11.047 ( -4.395 6.833 0.489) 8.140 11.121 ( 1.814 2.519 0.586) 3.159 11.212 ( -0.677 4.454 0.723) 4.563 11.605 ( 13.699 -0.094 2.236) 13.881 11.893 ( 11.573 2.142 -7.850) 14.147 12.003 ( 6.328 4.821 3.553) 8.713 12.293 ( -3.603 4.305 1.578) 5.832 12.675 ( 8.321 0.741 4.839) 9.654 12.818 ( 4.714 11.532 -8.203) 14.916 13.185 ( -0.392 -3.559 7.061) 7.917 13.942 ( -0.195 -0.311 -2.304) 2.333 14.435 ( -2.053 -0.197 -1.428) 2.509 14.515 ( 2.561 0.919 0.335) 2.741 14.581 ( 0.457 3.529 -1.603) 3.903 15.504 ( -19.315 -18.863 5.484) 27.549 15.976 ( -1.192 1.181 -2.112) 2.698 16.341 ( 1.815 -0.522 0.672) 2.004 16.844 ( -5.627 -5.662 -2.514) 8.369 ======================= Grid point 15 (10/68) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 2.935 13.538 3.849) 14.377 2.109 ( -13.129 9.083 -6.174) 17.117 2.572 ( -9.301 0.047 0.691) 9.327 2.881 ( 7.801 2.724 1.400) 8.380 3.106 ( 0.656 -0.367 3.846) 3.919 3.279 ( 6.286 -0.290 0.480) 6.310 3.414 ( -9.937 -2.080 -3.864) 10.863 3.723 ( 4.559 -0.714 0.337) 4.626 3.814 ( 5.989 -7.425 0.077) 9.539 3.997 ( -2.711 -7.298 6.297) 10.013 4.515 ( 5.147 12.034 -2.480) 13.321 4.794 ( 4.802 -14.129 -0.966) 14.954 4.921 ( 7.611 -15.546 -3.505) 17.660 5.145 ( 6.547 3.721 -3.076) 8.135 5.454 ( 10.188 -3.245 -2.811) 11.056 5.736 ( -1.860 2.304 3.136) 4.313 5.851 ( -8.563 4.501 -2.623) 10.023 6.137 ( -4.658 -2.548 -0.039) 5.310 6.244 ( -7.327 6.840 -1.016) 10.075 6.697 ( -10.204 7.670 2.881) 13.087 6.788 ( -4.350 8.444 1.629) 9.638 7.411 ( -2.262 -2.812 0.320) 3.623 7.596 ( 5.063 7.176 1.835) 8.972 7.603 ( 0.269 -2.545 -0.198) 2.567 7.734 ( 5.308 7.342 3.636) 9.762 8.052 ( 5.289 -8.482 3.158) 10.483 8.154 ( 1.469 3.030 -2.878) 4.430 8.275 ( -2.214 -4.305 -11.159) 12.163 8.487 ( 4.124 -3.092 6.444) 8.252 8.659 ( -0.548 1.291 -0.836) 1.633 8.745 ( -6.335 -3.090 4.786) 8.520 9.047 ( -7.454 -7.983 -1.652) 11.046 9.172 ( -0.494 -4.473 -0.049) 4.501 9.408 ( -3.903 4.770 -4.521) 7.643 9.653 ( -4.512 -3.494 2.237) 6.130 10.002 ( 3.183 -3.419 -0.519) 4.701 11.039 ( -3.775 5.997 1.003) 7.157 11.147 ( -2.860 5.256 -1.507) 6.170 11.257 ( 1.765 1.197 2.675) 3.421 11.809 ( 9.869 -3.336 0.388) 10.425 12.061 ( 4.414 2.082 -1.062) 4.994 12.158 ( 3.625 3.678 -2.549) 5.759 12.312 ( 5.776 0.616 1.349) 5.963 12.765 ( 4.697 -6.860 7.284) 11.054 12.977 ( 1.547 7.830 -3.378) 8.667 13.155 ( -2.119 2.468 -3.348) 4.668 13.959 ( 2.792 0.213 -1.013) 2.978 14.309 ( -8.676 -6.441 -3.086) 11.238 14.561 ( 0.696 1.795 -0.444) 1.975 14.617 ( 0.398 2.301 -1.012) 2.545 15.102 ( -8.745 -7.104 10.233) 15.220 15.963 ( -1.821 1.790 -2.360) 3.477 16.397 ( 4.490 0.265 -0.280) 4.506 16.680 ( -5.716 -5.676 -1.778) 8.249 ======================= Grid point 16 (11/68) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -8.032 13.912 -7.622) 17.780 2.230 ( -2.633 4.561 -0.476) 5.288 2.413 ( -4.743 8.216 4.600) 10.543 2.911 ( -1.646 2.851 -0.803) 3.389 3.237 ( 0.445 -0.771 -0.061) 0.893 3.238 ( 0.107 -0.185 3.638) 3.644 3.354 ( 1.191 -2.063 -1.930) 3.066 3.744 ( 2.442 -4.230 0.740) 4.940 3.884 ( 3.200 -5.542 8.826) 10.901 3.904 ( 3.735 -6.469 -1.714) 7.664 4.616 ( -4.058 7.029 -1.963) 8.351 4.710 ( 6.589 -11.412 -0.790) 13.201 4.904 ( 15.704 -27.201 -5.014) 31.806 5.301 ( -2.679 4.641 3.180) 6.231 5.580 ( 1.784 -3.090 -2.671) 4.457 5.709 ( 0.966 -1.672 0.826) 2.100 5.766 ( -1.513 2.621 -7.695) 8.269 6.094 ( -3.223 5.583 -1.555) 6.632 6.227 ( -5.609 9.716 1.215) 11.284 6.525 ( -10.926 18.924 4.455) 22.301 6.884 ( -1.849 3.203 1.104) 3.859 7.367 ( 0.967 -1.675 1.156) 2.253 7.556 ( 1.077 -1.865 3.846) 4.408 7.718 ( -1.223 2.118 1.307) 2.773 7.828 ( -1.157 2.004 -0.660) 2.406 8.036 ( 3.182 -5.511 0.119) 6.364 8.199 ( -2.177 3.770 -0.684) 4.407 8.232 ( 2.536 -4.392 -13.906) 14.802 8.519 ( 2.843 -4.924 9.475) 11.050 8.646 ( -0.268 0.463 1.039) 1.169 8.671 ( 0.147 -0.254 3.565) 3.577 8.919 ( 1.305 -2.260 -0.411) 2.642 9.149 ( 1.294 -2.242 0.686) 2.678 9.401 ( -3.726 6.453 -5.564) 9.300 9.593 ( 0.850 -1.472 2.082) 2.688 10.017 ( 2.365 -4.097 -0.836) 4.804 11.036 ( -3.149 5.454 1.029) 6.382 11.146 ( -3.973 6.881 -2.445) 8.313 11.281 ( 0.521 -0.902 3.616) 3.764 11.878 ( 4.074 -7.056 -0.650) 8.173 12.109 ( -1.035 1.793 2.782) 3.468 12.188 ( -1.266 2.193 -3.666) 4.456 12.433 ( 3.205 -5.551 -3.734) 7.418 12.738 ( 6.350 -10.999 10.403) 16.417 13.034 ( -0.823 1.425 7.229) 7.414 13.152 ( -5.505 9.535 -16.228) 19.610 14.070 ( 0.707 -1.224 -2.625) 2.981 14.080 ( 1.498 -2.595 -0.018) 2.996 14.576 ( -1.440 2.495 -0.583) 2.939 14.636 ( -0.266 0.461 -1.203) 1.315 15.005 ( -0.267 0.463 11.345) 11.358 15.955 ( -1.351 2.341 -2.364) 3.591 16.478 ( 1.126 -1.950 -1.455) 2.681 16.559 ( 1.002 -1.736 -0.730) 2.133 ======================= Grid point 25 (12/68) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 8.112 14.050 7.627) 17.927 2.151 ( 13.365 23.148 13.746) 30.057 2.612 ( -2.089 -3.618 6.474) 7.705 2.612 ( 2.787 4.827 -7.918) 9.683 2.982 ( -0.790 -1.368 -2.397) 2.870 3.379 ( -5.637 -9.763 3.779) 11.890 3.414 ( 9.363 16.218 -6.701) 19.890 3.860 ( -6.271 -10.862 -3.373) 12.988 4.004 ( 0.628 1.088 -12.464) 12.527 4.093 ( -7.626 -13.208 0.840) 15.274 4.179 ( 1.962 3.398 7.068) 8.084 4.316 ( 6.351 11.001 -3.128) 13.082 4.999 ( -1.920 -3.325 -6.194) 7.287 5.241 ( -1.142 -1.978 -0.388) 2.316 5.254 ( -10.409 -18.030 -1.366) 20.864 5.735 ( 4.195 7.266 1.791) 8.579 6.099 ( 0.771 1.336 9.794) 9.915 6.234 ( -5.724 -9.914 -6.356) 13.094 6.479 ( -3.378 -5.850 -1.235) 6.867 6.492 ( 3.940 6.825 0.729) 7.914 7.212 ( 7.971 13.805 -2.490) 16.134 7.404 ( 8.500 14.722 0.584) 17.009 7.501 ( -2.094 -3.627 9.197) 10.105 7.527 ( -0.309 -0.536 0.437) 0.758 7.655 ( 1.178 2.041 0.853) 2.506 7.686 ( -2.225 -3.854 4.262) 6.162 8.138 ( -0.541 -0.936 -2.483) 2.708 8.395 ( -3.564 -6.172 1.285) 7.242 8.465 ( -1.635 -2.831 -3.445) 4.749 8.571 ( 4.830 8.366 -4.469) 10.644 9.088 ( -5.066 -8.774 4.043) 10.909 9.094 ( -3.588 -6.215 -0.614) 7.203 9.401 ( -6.529 -11.308 -7.630) 15.123 9.508 ( -1.251 -2.167 -2.545) 3.569 9.882 ( -3.981 -6.895 5.811) 9.856 9.937 ( -2.878 -4.984 0.458) 5.774 11.103 ( 1.574 2.726 1.399) 3.445 11.172 ( 3.183 5.513 -0.731) 6.407 11.337 ( 0.208 0.360 5.361) 5.378 11.364 ( 4.343 7.522 -0.919) 8.734 11.770 ( 4.533 7.852 -10.122) 13.588 11.973 ( 3.686 6.385 4.989) 8.902 12.410 ( 0.544 0.941 5.053) 5.169 12.532 ( 2.299 3.982 -1.676) 4.894 12.867 ( 7.568 13.107 -8.818) 17.516 13.152 ( -1.908 -3.305 12.945) 13.496 13.943 ( -0.537 -0.930 -3.409) 3.574 14.459 ( 0.098 0.170 -2.387) 2.395 14.490 ( 1.119 1.939 1.040) 2.469 14.598 ( 1.741 3.015 -2.142) 4.087 15.582 ( -14.109 -24.437 7.046) 29.084 15.997 ( 0.629 1.089 -3.373) 3.600 16.319 ( -0.372 -0.644 1.488) 1.663 16.865 ( -3.998 -6.924 -3.790) 8.848 ======================= Grid point 26 (13/68) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -0.616 16.744 5.500) 17.635 2.487 ( -12.017 9.435 -4.453) 15.914 2.638 ( 15.546 11.605 8.664) 21.246 2.733 ( -0.220 2.976 -2.999) 4.231 3.047 ( 11.895 -1.930 -0.499) 12.061 3.194 ( -4.657 -3.441 3.823) 6.938 3.595 ( -11.294 -9.004 -9.360) 17.212 3.617 ( 4.988 0.794 -4.135) 6.528 3.772 ( -10.886 -1.952 2.916) 11.438 3.936 ( -2.243 -10.349 5.975) 12.159 4.270 ( 14.308 -20.707 -0.763) 25.181 4.607 ( 3.890 9.242 0.126) 10.028 4.893 ( -9.082 -9.896 -1.141) 13.480 5.113 ( 6.289 11.901 -6.004) 14.739 5.235 ( 7.652 -4.627 -3.313) 9.536 5.801 ( -2.588 -0.149 2.591) 3.665 6.021 ( -7.465 0.088 -2.767) 7.962 6.135 ( 1.437 -3.296 1.589) 3.931 6.433 ( -3.014 8.844 0.247) 9.346 6.694 ( 8.189 9.005 -0.636) 12.188 7.211 ( -19.819 5.451 5.336) 21.237 7.443 ( -5.129 -1.921 -1.728) 5.743 7.518 ( 9.332 8.571 -3.045) 13.032 7.643 ( -2.016 -0.484 2.882) 3.550 7.712 ( 7.521 -3.568 3.104) 8.885 7.790 ( 10.983 4.579 5.162) 12.971 8.119 ( 1.565 -2.423 -0.983) 3.048 8.264 ( -2.928 -7.014 -8.599) 11.477 8.423 ( 0.337 -1.532 3.393) 3.738 8.672 ( 0.894 1.671 -0.332) 1.924 8.862 ( -9.670 -4.299 4.187) 11.381 9.062 ( 1.400 -3.092 0.418) 3.420 9.144 ( -6.666 -10.636 -4.469) 13.324 9.500 ( -0.800 3.469 -5.622) 6.655 9.722 ( -7.131 -3.800 4.661) 9.328 9.889 ( 2.966 -6.093 0.272) 6.782 11.144 ( 0.056 1.919 3.525) 4.014 11.260 ( -3.185 10.366 -0.052) 10.845 11.315 ( -2.375 5.498 -0.210) 5.993 11.575 ( 11.766 -1.581 -1.297) 11.943 11.939 ( 8.892 2.102 -7.381) 11.746 12.094 ( 3.843 4.031 4.868) 7.397 12.363 ( -5.392 1.671 4.076) 6.963 12.595 ( 4.685 -7.223 -0.008) 8.609 13.063 ( -1.733 6.625 3.269) 7.588 13.157 ( 5.732 5.022 -4.501) 8.851 13.927 ( 0.247 -1.082 -2.071) 2.350 14.380 ( -6.443 -6.830 -6.257) 11.283 14.549 ( 2.449 2.563 0.158) 3.548 14.646 ( 0.196 2.619 -1.279) 2.922 15.168 ( -8.773 -11.512 15.707) 21.359 16.017 ( -0.794 2.634 -4.943) 5.657 16.326 ( 2.360 -0.711 0.862) 2.612 16.710 ( -4.965 -7.195 -3.299) 9.344 ======================= Grid point 27 (14/68) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -2.696 15.014 0.538) 15.264 2.382 ( -12.135 14.166 -8.776) 20.614 2.653 ( -9.492 8.128 2.470) 12.738 2.952 ( 5.844 5.591 -0.362) 8.096 3.142 ( 4.300 2.683 4.619) 6.857 3.270 ( 1.720 -1.258 -1.010) 2.358 3.342 ( -5.444 -3.842 -0.548) 6.686 3.650 ( 0.788 -4.981 1.217) 5.188 3.682 ( 8.315 -6.686 0.231) 10.673 3.801 ( -0.609 -10.290 5.884) 11.869 4.288 ( 17.011 -27.888 -1.701) 32.711 4.491 ( -0.193 -17.568 -2.863) 17.800 4.816 ( -7.288 10.817 -0.706) 13.063 5.326 ( 9.418 4.613 5.699) 11.935 5.478 ( 8.183 8.634 -8.059) 14.368 5.644 ( -5.487 -10.873 -0.214) 12.181 5.937 ( -6.333 6.317 -5.247) 10.370 6.149 ( 0.537 1.023 0.778) 1.393 6.498 ( -6.093 16.117 0.708) 17.245 6.898 ( -3.185 9.632 1.838) 10.310 6.956 ( -8.203 6.869 4.005) 11.424 7.332 ( -2.127 -4.372 -1.352) 5.047 7.558 ( -2.366 -0.682 3.434) 4.225 7.755 ( 2.704 6.036 0.542) 6.636 7.793 ( 9.511 -8.287 -7.415) 14.633 7.887 ( -1.067 -0.732 1.319) 1.848 8.172 ( 2.922 -1.607 -4.567) 5.655 8.183 ( 2.454 -4.050 -2.830) 5.516 8.440 ( 2.237 -1.177 7.723) 8.126 8.669 ( -1.340 -2.399 3.899) 4.770 8.682 ( -4.250 -0.969 1.335) 4.559 8.916 ( -4.166 -5.034 -0.355) 6.544 9.136 ( 0.934 3.988 -0.688) 4.153 9.524 ( -2.241 5.478 -4.921) 7.697 9.577 ( -3.302 -3.867 4.238) 6.619 9.891 ( 4.656 -7.501 -0.404) 8.838 11.149 ( -1.952 3.206 3.363) 5.039 11.286 ( -1.820 4.444 3.076) 5.703 11.343 ( -5.676 11.691 -4.569) 13.776 11.708 ( 6.929 -5.702 -2.572) 9.335 12.119 ( 6.181 2.909 -1.688) 7.037 12.194 ( 3.539 0.346 0.055) 3.556 12.297 ( 0.285 -2.490 -0.393) 2.537 12.536 ( 1.988 -13.221 4.408) 14.077 13.061 ( -0.866 1.010 9.967) 10.055 13.317 ( -0.277 10.803 -15.830) 19.167 13.955 ( 4.908 -0.557 -1.135) 5.068 14.128 ( -8.408 -10.153 -4.318) 13.871 14.616 ( 1.341 3.064 -0.475) 3.378 14.655 ( -1.493 1.309 -0.926) 2.191 15.030 ( -1.997 -0.580 18.859) 18.973 16.022 ( -2.164 3.728 -5.308) 6.838 16.393 ( 5.321 -0.525 -0.982) 5.437 16.553 ( -3.928 -6.398 -1.904) 7.745 ======================= Grid point 37 (15/68) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 5.288 9.160 2.919) 10.972 2.628 ( 1.962 3.398 -3.024) 4.954 2.803 ( 4.101 7.103 0.244) 8.205 2.964 ( 6.401 11.087 -4.398) 13.536 3.094 ( 4.490 7.776 -1.218) 9.062 3.162 ( 0.814 1.410 3.035) 3.445 3.414 ( -3.658 -6.335 -1.548) 7.477 3.557 ( -3.680 -6.373 -2.585) 7.800 3.682 ( -5.510 -9.543 -13.630) 17.527 3.779 ( -2.977 -5.157 12.000) 13.397 3.836 ( -8.487 -14.699 11.215) 20.343 4.404 ( -9.101 -15.763 -2.951) 18.440 5.047 ( 6.135 10.626 2.902) 12.609 5.130 ( 0.096 0.166 -0.879) 0.899 5.475 ( 9.876 17.105 -6.315) 20.736 5.642 ( -7.167 -12.414 0.637) 14.349 6.066 ( 1.492 2.584 -4.238) 5.183 6.113 ( 0.059 0.102 1.049) 1.055 6.671 ( 6.623 11.471 6.495) 14.752 6.892 ( 6.082 10.534 -5.343) 13.285 7.154 ( -4.897 -8.481 13.467) 16.652 7.431 ( -1.753 -3.037 -11.750) 12.262 7.508 ( -3.653 -6.328 -9.798) 12.222 7.585 ( -1.230 -2.130 3.883) 4.596 7.755 ( 5.181 8.973 -0.277) 10.365 7.970 ( 2.877 4.982 6.111) 8.393 8.045 ( -1.813 -3.141 2.766) 4.561 8.157 ( -1.384 -2.397 -9.518) 9.913 8.411 ( 0.389 0.674 5.235) 5.293 8.668 ( -1.657 -2.871 3.847) 5.078 8.734 ( -3.021 -5.232 1.375) 6.196 8.923 ( -5.109 -8.850 -1.221) 10.291 9.160 ( 5.753 9.964 1.147) 11.562 9.574 ( 1.728 2.993 -5.090) 6.152 9.636 ( -3.047 -5.278 5.374) 8.125 9.754 ( -3.527 -6.109 -0.223) 7.058 11.167 ( 0.307 0.532 6.609) 6.638 11.381 ( 1.559 2.700 0.692) 3.194 11.513 ( 5.914 10.243 -6.103) 13.309 11.562 ( 0.290 0.503 -4.110) 4.150 11.992 ( 2.312 4.004 -5.142) 6.915 12.173 ( 2.026 3.509 4.557) 6.097 12.351 ( -1.633 -2.829 6.996) 7.721 12.407 ( -5.864 -10.158 -3.962) 12.380 13.076 ( -0.354 -0.614 10.937) 10.960 13.375 ( 6.175 10.695 -15.530) 19.842 13.906 ( -0.317 -0.550 -1.136) 1.302 14.153 ( -7.470 -12.938 -6.232) 16.187 14.614 ( 1.898 3.288 0.136) 3.799 14.682 ( 0.390 0.675 -0.513) 0.934 15.047 ( -0.952 -1.648 21.256) 21.341 16.074 ( 1.390 2.407 -7.934) 8.407 16.328 ( 0.834 1.445 0.809) 1.854 16.555 ( -4.274 -7.403 -2.529) 8.915 ======================= Grid point 38 (16/68) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -4.535 7.856 1.854) 9.258 2.630 ( -2.629 4.553 2.648) 5.887 2.923 ( -10.810 18.723 -12.703) 25.075 3.089 ( 1.876 -3.250 -3.542) 5.160 3.146 ( -5.570 9.648 -4.176) 11.897 3.262 ( 2.431 -4.210 -3.618) 6.060 3.340 ( -3.237 5.607 9.644) 11.616 3.491 ( 7.665 -13.275 -14.728) 21.258 3.529 ( 4.613 -7.991 2.524) 9.566 3.612 ( 2.675 -4.633 13.967) 14.957 3.777 ( 9.308 -16.122 11.102) 21.675 4.209 ( 4.478 -7.756 -4.463) 10.007 5.069 ( -7.778 13.471 -0.199) 15.556 5.349 ( 2.711 -4.696 3.090) 6.241 5.374 ( 5.333 -9.237 -1.565) 10.780 5.698 ( -4.491 7.778 0.905) 9.027 6.061 ( -2.723 4.716 -5.623) 7.828 6.135 ( 1.425 -2.468 -1.965) 3.462 6.819 ( -7.191 12.455 7.413) 16.180 7.019 ( 0.485 -0.840 15.537) 15.568 7.072 ( -3.292 5.701 -3.829) 7.616 7.288 ( -1.415 2.451 -16.605) 16.844 7.491 ( 8.619 -14.929 -14.818) 22.732 7.553 ( 0.068 -0.118 4.446) 4.448 7.898 ( -1.045 1.810 2.265) 3.082 7.921 ( -3.718 6.440 0.568) 7.458 8.076 ( 3.824 -6.623 4.129) 8.691 8.129 ( 1.124 -1.946 -7.191) 7.534 8.447 ( -1.364 2.362 6.574) 7.117 8.574 ( 2.718 -4.708 5.546) 7.766 8.713 ( -1.503 2.604 -0.126) 3.009 8.815 ( 2.530 -4.382 0.206) 5.064 9.343 ( -6.973 12.077 -0.070) 13.945 9.516 ( 0.279 -0.483 5.820) 5.847 9.607 ( -1.244 2.155 -3.414) 4.224 9.688 ( 6.799 -11.776 0.544) 13.608 11.171 ( -0.008 0.013 7.703) 7.703 11.409 ( -3.801 6.584 -1.695) 7.789 11.560 ( 1.519 -2.631 -4.663) 5.565 11.642 ( -5.056 8.757 -6.781) 12.175 12.130 ( 3.167 -5.486 -5.711) 8.529 12.171 ( 3.028 -5.244 -3.894) 7.199 12.226 ( -1.777 3.078 5.474) 6.527 12.325 ( 3.119 -5.403 6.782) 9.215 13.069 ( -0.070 0.122 11.040) 11.041 13.510 ( -3.695 6.400 -19.415) 20.774 13.941 ( 2.308 -3.997 -2.649) 5.322 13.944 ( 1.547 -2.680 -0.059) 3.095 14.664 ( -0.554 0.959 -0.079) 1.111 14.676 ( -0.525 0.910 -0.005) 1.051 15.038 ( -0.347 0.601 21.803) 21.814 16.100 ( -1.719 2.978 -9.114) 9.741 16.378 ( 0.469 -0.813 -0.703) 1.173 16.440 ( 2.005 -3.472 -0.657) 4.063 ======================= Grid point 133 (17/68) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.000 -0.000 35.472) 35.472 0.746 ( 0.000 0.000 35.472) 35.472 1.071 ( 0.000 0.000 50.349) 50.349 2.513 ( 0.000 0.000 -17.782) 17.782 2.513 ( 0.000 -0.000 -17.782) 17.782 3.242 ( 0.000 0.000 -14.844) 14.844 3.672 ( 0.000 0.000 11.548) 11.548 3.672 ( 0.000 0.000 11.548) 11.548 4.467 ( 0.000 -0.000 -10.358) 10.358 4.467 ( 0.000 0.000 -10.358) 10.358 4.612 ( -0.000 0.000 10.117) 10.117 4.917 ( 0.000 -0.000 5.842) 5.842 4.917 ( 0.000 0.000 5.842) 5.842 5.387 ( 0.000 -0.000 -7.838) 7.838 5.387 ( 0.000 0.000 -7.838) 7.838 6.066 ( 0.000 0.000 -30.499) 30.499 6.165 ( 0.000 0.000 0.670) 0.670 6.309 ( -0.000 0.000 -2.104) 2.104 6.497 ( 0.000 -0.000 12.386) 12.386 6.497 ( 0.000 0.000 12.386) 12.386 7.038 ( 0.000 0.000 3.080) 3.080 7.209 ( 0.000 -0.000 -4.298) 4.298 7.209 ( 0.000 0.000 -4.298) 4.298 7.431 ( 0.000 0.000 -3.952) 3.952 7.784 ( 0.000 -0.000 32.347) 32.347 7.907 ( 0.000 -0.000 -1.914) 1.914 7.907 ( 0.000 0.000 -1.914) 1.914 7.966 ( 0.000 -0.000 -0.666) 0.666 7.966 ( -0.000 0.000 -0.666) 0.666 9.550 ( 0.000 0.000 -22.910) 22.910 9.607 ( 0.000 -0.000 2.094) 2.094 9.607 ( 0.000 0.000 2.094) 2.094 9.780 ( -0.000 -0.000 -1.845) 1.845 9.780 ( 0.000 -0.000 -1.845) 1.845 10.396 ( 0.000 0.000 15.343) 15.343 10.808 ( -0.000 0.000 0.577) 0.577 10.836 ( 0.000 -0.000 -0.519) 0.519 11.019 ( 0.000 -0.000 -3.849) 3.849 11.056 ( 0.000 -0.000 0.715) 0.715 11.056 ( 0.000 0.000 0.715) 0.715 11.094 ( 0.000 0.000 -0.126) 0.126 11.094 ( 0.000 0.000 -0.126) 0.126 12.063 ( 0.000 0.000 1.027) 1.027 12.063 ( 0.000 0.000 1.027) 1.027 12.167 ( 0.000 -0.000 -1.256) 1.256 12.167 ( 0.000 0.000 -1.256) 1.256 14.352 ( 0.000 -0.000 0.949) 0.949 14.352 ( 0.000 0.000 0.949) 0.949 14.436 ( 0.000 -0.000 -0.923) 0.923 14.436 ( 0.000 0.000 -0.923) 0.923 16.016 ( -0.000 0.000 2.587) 2.587 16.317 ( 0.000 0.000 -4.628) 4.628 17.144 ( 0.000 0.000 4.466) 4.466 17.431 ( 0.000 -0.000 -2.420) 2.420 ======================= Grid point 134 (18/68) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 18.219 16.136 12.601) 27.405 0.956 ( -1.306 28.044 31.838) 42.448 1.677 ( 42.403 5.811 33.664) 54.452 2.368 ( -4.855 -2.909 -21.668) 22.395 2.675 ( 5.191 3.592 -13.671) 15.058 3.182 ( -3.059 -3.688 -6.782) 8.304 3.634 ( -2.304 2.504 6.618) 7.441 3.709 ( 1.452 -1.782 7.363) 7.713 4.127 ( -7.532 -10.929 10.629) 17.004 4.402 ( -12.589 6.732 1.645) 14.370 4.459 ( -2.714 -3.415 -8.386) 9.453 4.995 ( 11.575 -7.877 2.236) 14.178 5.150 ( -13.873 -4.555 -5.838) 15.725 5.271 ( 5.275 6.479 -1.214) 8.443 5.454 ( 9.135 -1.954 -6.420) 11.335 5.936 ( -11.745 -10.488 -3.119) 16.052 6.208 ( -7.988 6.082 5.470) 11.434 6.322 ( 9.138 5.264 -1.819) 10.702 6.527 ( 7.264 2.934 -7.106) 10.577 6.645 ( 5.141 7.617 4.378) 10.179 6.895 ( -19.714 -5.236 -4.563) 20.902 7.018 ( -0.666 -2.654 3.675) 4.582 7.146 ( -0.984 -10.043 -3.335) 10.628 7.600 ( 5.253 6.234 -5.407) 9.782 7.809 ( 1.348 -3.697 20.221) 20.601 7.938 ( 1.498 -3.822 -0.039) 4.106 7.956 ( 6.120 1.836 6.831) 9.354 8.024 ( 4.891 1.806 0.793) 5.274 8.226 ( 10.114 15.325 -10.984) 21.396 9.053 ( -23.289 -10.714 5.469) 26.212 9.489 ( -9.063 -1.472 -1.852) 9.366 9.597 ( -6.725 -5.785 -6.279) 10.868 9.653 ( 2.355 -4.845 0.620) 5.422 9.755 ( -4.717 3.104 -1.120) 5.757 10.485 ( -8.470 -3.880 5.954) 11.057 10.554 ( -14.670 -8.303 0.372) 16.861 10.709 ( 8.355 3.261 1.988) 9.186 11.029 ( -0.824 1.915 -0.627) 2.177 11.090 ( 0.689 1.273 -1.629) 2.179 11.118 ( 4.747 2.284 -0.924) 5.348 11.279 ( 15.189 -4.130 2.544) 15.944 11.374 ( 12.207 10.801 -0.239) 16.301 12.119 ( 3.492 3.073 1.012) 4.760 12.209 ( 4.184 2.042 -1.673) 4.947 12.243 ( 6.631 3.147 0.437) 7.353 12.685 ( 22.230 21.243 -26.515) 40.601 14.261 ( -6.558 -1.425 7.112) 9.778 14.370 ( 2.389 -1.154 1.287) 2.949 14.426 ( -0.046 -0.128 -1.721) 1.726 14.461 ( 1.535 0.108 -0.159) 1.547 16.020 ( -0.183 -0.293 2.710) 2.732 16.308 ( -0.895 -0.602 -4.751) 4.872 16.983 ( -13.228 -6.927 4.862) 15.704 17.216 ( -9.418 -8.108 1.815) 12.560 ======================= Grid point 135 (19/68) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 6.676 21.583 20.620) 30.587 1.474 ( 23.459 29.673 -4.285) 38.068 2.277 ( -2.269 -1.492 -19.941) 20.125 2.480 ( 37.215 6.121 18.070) 41.821 2.736 ( 1.592 -2.859 -13.815) 14.197 3.128 ( 0.046 0.956 6.071) 6.146 3.654 ( 1.147 0.586 -1.771) 2.190 3.668 ( -3.131 -1.027 2.358) 4.052 3.971 ( -6.455 -4.361 -1.685) 7.971 4.234 ( -7.046 -5.200 -2.572) 9.127 4.401 ( 0.276 1.935 6.157) 6.460 4.818 ( -9.768 -10.680 6.968) 16.063 5.177 ( 7.481 2.196 -1.189) 7.886 5.332 ( 3.450 -5.478 -4.760) 8.035 5.567 ( -7.455 -7.070 3.937) 11.002 5.630 ( 1.214 -1.816 -2.946) 3.667 6.131 ( -11.703 11.032 10.502) 19.208 6.394 ( -9.244 -5.054 -6.088) 12.168 6.526 ( -0.357 -1.354 -1.163) 1.820 6.733 ( 1.230 4.126 -4.816) 6.460 6.830 ( 2.666 2.842 2.575) 4.671 7.022 ( 0.953 1.525 1.705) 2.479 7.067 ( 9.261 -1.340 -9.891) 13.616 7.652 ( -4.479 -1.030 -1.097) 4.724 7.716 ( -4.691 -0.671 5.129) 6.983 7.979 ( 6.392 -4.531 -0.036) 7.835 8.060 ( -0.873 6.713 3.489) 7.616 8.205 ( 13.616 -1.249 9.427) 16.608 8.446 ( 2.902 6.671 -4.557) 8.584 8.689 ( -10.076 -5.212 -0.380) 11.350 9.258 ( -11.746 -5.815 -6.459) 14.611 9.429 ( -6.719 -2.614 -3.819) 8.159 9.601 ( -3.417 -2.556 1.680) 4.586 9.684 ( -3.248 -3.714 -0.191) 4.938 10.241 ( -10.908 -6.278 1.216) 12.644 10.245 ( -12.084 -3.932 3.578) 13.202 10.915 ( 8.334 3.413 2.814) 9.436 11.032 ( -0.191 0.661 0.287) 0.746 11.108 ( 0.526 1.423 -1.951) 2.471 11.263 ( 6.971 4.888 -2.579) 8.896 11.545 ( 16.666 -1.388 1.419) 16.784 11.665 ( 8.244 9.942 -0.951) 12.951 12.205 ( 2.720 1.637 0.630) 3.237 12.341 ( 5.677 5.273 -2.694) 8.203 12.470 ( 13.745 3.468 4.919) 15.005 13.064 ( 3.529 14.033 -15.302) 21.060 14.135 ( -4.694 -2.855 9.672) 11.124 14.408 ( 1.981 -0.332 0.547) 2.082 14.433 ( 0.907 0.892 -2.080) 2.439 14.492 ( 2.153 -0.541 0.216) 2.230 15.996 ( -1.026 -1.719 1.663) 2.602 16.245 ( -6.071 -3.847 -6.270) 9.538 16.595 ( -17.734 -7.434 7.902) 20.790 17.019 ( -4.904 -6.898 -4.327) 9.505 ======================= Grid point 136 (20/68) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 8.092 16.858 15.037) 23.996 2.126 ( 14.955 11.826 -5.223) 19.769 2.271 ( 4.622 10.471 -10.670) 15.648 2.665 ( -1.725 -4.534 -11.252) 12.253 3.111 ( 16.888 5.635 2.781) 18.019 3.249 ( 15.447 5.439 6.920) 17.779 3.490 ( -10.723 -3.751 2.936) 11.733 3.733 ( -6.265 -3.954 -8.150) 11.014 3.769 ( 3.048 -3.749 -4.048) 6.304 4.079 ( -3.818 -5.497 -6.575) 9.382 4.357 ( -12.487 -4.643 13.047) 18.647 4.716 ( 10.961 3.824 16.223) 19.949 5.269 ( -5.970 -1.851 -3.039) 6.950 5.311 ( 2.636 -11.630 -7.090) 13.874 5.389 ( 3.249 -2.061 1.675) 4.196 5.601 ( -3.178 0.472 -3.986) 5.119 5.999 ( -13.773 8.579 9.153) 18.629 6.307 ( 2.433 -2.474 -2.906) 4.526 6.457 ( -2.927 -3.982 0.193) 4.946 6.596 ( -8.708 -3.538 7.911) 12.285 6.932 ( -1.272 0.445 -8.242) 8.351 7.151 ( 11.843 4.333 4.196) 13.291 7.336 ( 9.553 8.380 -0.931) 12.741 7.533 ( -2.379 -0.863 0.639) 2.610 7.644 ( -5.944 3.393 -6.530) 9.460 8.026 ( 1.708 -0.965 -2.039) 2.829 8.096 ( -0.219 3.335 -0.911) 3.464 8.357 ( 4.598 -6.827 5.139) 9.703 8.532 ( -3.310 -2.532 -5.113) 6.596 8.542 ( 4.288 2.828 1.158) 5.265 9.003 ( -9.777 -3.831 -2.404) 10.773 9.296 ( -4.859 -3.001 -3.474) 6.685 9.500 ( -5.761 -1.044 2.114) 6.225 9.543 ( -4.385 -9.552 3.540) 11.091 9.977 ( -12.159 -4.313 2.666) 13.174 10.061 ( -5.155 -1.715 0.237) 5.438 11.010 ( 0.483 0.610 3.771) 3.851 11.078 ( 2.886 1.939 -0.311) 3.491 11.153 ( 2.668 2.446 0.629) 3.673 11.477 ( 9.556 7.667 -5.289) 13.344 11.803 ( 12.049 -0.093 -1.202) 12.109 11.892 ( 7.823 6.727 -1.399) 10.412 12.248 ( 0.696 1.485 1.833) 2.459 12.497 ( 5.235 5.011 -4.971) 8.788 12.756 ( 13.803 2.136 6.664) 15.476 13.191 ( -1.800 9.722 -4.854) 11.014 14.036 ( -2.617 -3.493 7.567) 8.736 14.415 ( 0.044 -1.481 -1.949) 2.448 14.483 ( 1.986 2.343 -0.963) 3.218 14.524 ( 2.180 -1.030 -0.259) 2.425 15.868 ( -21.396 -9.435 0.287) 23.386 15.969 ( -1.988 -2.943 -0.496) 3.586 16.389 ( -3.062 0.105 4.472) 5.421 16.868 ( -4.676 -6.415 -6.496) 10.257 ======================= Grid point 137 (21/68) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 8.895 12.300 10.517) 18.467 2.149 ( -0.691 -6.423 5.853) 8.717 2.557 ( -2.318 -2.604 -5.254) 6.306 2.730 ( 12.506 13.351 -5.267) 19.036 3.213 ( -8.253 -0.849 4.321) 9.354 3.313 ( -1.070 4.480 1.168) 4.751 3.472 ( -3.086 -9.669 3.593) 10.767 3.693 ( 12.291 5.488 -0.521) 13.471 3.910 ( 0.422 7.957 -11.506) 13.995 3.954 ( 2.068 -9.967 -5.305) 11.479 4.127 ( -3.398 0.942 -1.017) 3.670 4.935 ( -14.646 -8.646 -8.536) 19.030 5.067 ( 15.831 8.598 15.015) 23.452 5.330 ( 7.674 -12.689 -0.788) 14.849 5.478 ( 6.091 -1.545 -0.790) 6.333 5.604 ( -4.061 9.540 -2.549) 10.677 5.868 ( -5.173 1.931 7.109) 9.001 6.174 ( -6.404 -5.320 -2.521) 8.698 6.313 ( -8.378 -8.671 4.338) 12.814 6.646 ( 5.387 8.796 4.896) 11.418 6.740 ( -11.343 -6.753 -0.610) 13.215 7.409 ( 3.515 -0.312 -0.573) 3.576 7.453 ( 2.053 5.401 0.497) 5.799 7.585 ( 1.271 3.505 -3.492) 5.109 7.664 ( 6.647 8.406 1.353) 10.802 8.052 ( -0.435 2.286 -8.928) 9.227 8.106 ( 1.564 -2.947 -0.745) 3.419 8.298 ( 1.518 -8.655 -1.832) 8.976 8.488 ( -2.668 3.253 -3.205) 5.289 8.627 ( 1.547 0.696 0.230) 1.712 8.850 ( -5.098 -0.153 3.887) 6.413 9.202 ( -2.703 -1.565 -3.248) 4.506 9.295 ( -8.680 -10.117 6.035) 14.633 9.440 ( -1.097 -2.510 4.703) 5.442 9.737 ( -9.636 -3.391 1.238) 10.290 9.997 ( -1.388 -0.726 -3.196) 3.559 11.029 ( 1.219 0.721 4.714) 4.922 11.113 ( 0.298 0.214 1.007) 1.072 11.235 ( 2.088 3.652 1.958) 4.640 11.738 ( 9.418 7.779 -6.165) 13.683 11.973 ( 6.646 1.099 -2.875) 7.324 12.058 ( 5.288 0.292 -1.551) 5.518 12.292 ( 2.835 3.329 1.672) 4.681 12.616 ( 2.212 4.502 -8.495) 9.866 12.983 ( 9.495 0.851 7.043) 11.853 13.222 ( -1.843 3.312 2.951) 4.804 13.976 ( -0.498 -2.068 3.118) 3.775 14.354 ( -4.070 -5.474 -3.934) 7.874 14.536 ( 0.962 0.743 -0.790) 1.450 14.546 ( 1.655 0.497 -1.680) 2.410 15.409 ( -18.747 -2.393 9.190) 21.015 15.934 ( 0.385 -3.037 -2.143) 3.737 16.382 ( 0.890 1.092 0.812) 1.626 16.716 ( -5.129 -5.733 -5.893) 9.690 ======================= Grid point 138 (22/68) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 1.163 -8.565 17.991) 19.960 2.144 ( 8.644 6.965 5.548) 12.410 2.435 ( -7.542 -1.824 1.549) 7.912 2.919 ( 1.100 0.486 2.360) 2.648 3.158 ( -1.510 1.762 -3.646) 4.322 3.259 ( -1.460 3.199 1.207) 3.718 3.444 ( 1.830 -2.635 6.194) 6.975 3.768 ( -2.383 0.536 -6.213) 6.676 3.903 ( -1.690 5.854 -1.152) 6.201 3.970 ( -1.382 2.559 0.281) 2.922 4.315 ( 12.368 0.686 -16.716) 20.805 4.653 ( -7.379 -5.626 -14.749) 17.425 5.301 ( 2.338 -6.666 3.080) 7.706 5.357 ( 5.272 4.966 9.261) 11.757 5.560 ( 4.771 -2.432 -1.433) 5.544 5.608 ( -1.972 2.922 -2.319) 4.220 5.889 ( 7.132 -3.757 5.489) 9.753 6.085 ( -5.116 -7.433 3.767) 9.778 6.107 ( -0.404 4.526 -0.721) 4.601 6.385 ( -16.082 -2.177 0.631) 16.241 6.857 ( 5.007 3.073 4.695) 7.521 7.348 ( -3.582 1.295 -1.157) 3.981 7.478 ( -3.415 2.536 -7.708) 8.804 7.711 ( 3.976 3.880 3.887) 6.780 7.893 ( 6.581 5.276 3.986) 9.329 8.004 ( -1.727 -2.073 -9.408) 9.787 8.152 ( 5.233 -3.429 0.895) 6.320 8.239 ( 1.543 -9.103 -0.337) 9.239 8.500 ( -3.647 8.589 -5.070) 10.619 8.620 ( -1.474 0.228 -1.551) 2.152 8.810 ( -0.488 1.501 8.134) 8.285 9.051 ( -6.881 -5.796 6.014) 10.822 9.168 ( -1.607 1.768 -2.200) 3.248 9.428 ( 3.233 -4.365 7.752) 9.466 9.578 ( -4.810 -1.334 -3.447) 6.067 9.979 ( -0.082 -0.673 -6.261) 6.298 11.067 ( 2.005 0.626 5.288) 5.690 11.103 ( -0.770 -1.109 3.992) 4.214 11.288 ( -0.581 3.705 1.384) 3.998 11.927 ( 3.468 4.496 -4.449) 7.214 12.064 ( 1.626 1.579 -3.009) 3.767 12.089 ( 2.019 -3.991 -1.238) 4.641 12.416 ( 6.156 0.594 -2.799) 6.789 12.659 ( -3.323 5.924 -12.506) 14.232 13.100 ( -0.456 5.617 7.689) 9.533 13.217 ( 5.282 -9.189 9.219) 14.048 13.995 ( 3.664 1.129 -1.467) 4.105 14.161 ( -8.110 -6.475 -3.897) 11.085 14.542 ( 0.588 -0.838 -0.461) 1.123 14.583 ( 0.553 1.221 -2.397) 2.746 15.193 ( -8.371 6.022 13.774) 17.206 15.917 ( 1.176 -2.902 -2.299) 3.885 16.433 ( 3.077 0.987 -2.280) 3.955 16.578 ( -4.004 -3.838 -3.987) 6.831 ======================= Grid point 145 (23/68) ======================= q-point: ( 0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 16.979 29.409 -0.871) 33.970 1.553 ( 13.129 22.740 25.493) 36.598 1.996 ( 15.615 27.047 17.620) 35.858 2.322 ( 0.243 0.420 -17.640) 17.646 2.703 ( -1.584 -2.743 -23.588) 23.800 3.132 ( 0.364 0.630 10.631) 10.656 3.646 ( -0.789 -1.367 1.463) 2.152 3.685 ( -0.323 -0.560 3.381) 3.442 4.034 ( 0.058 0.100 2.981) 2.983 4.233 ( -7.665 -13.276 -9.369) 17.966 4.463 ( -1.261 -2.184 7.055) 7.492 4.794 ( -6.843 -11.853 0.789) 13.709 5.171 ( 3.990 6.911 0.544) 7.998 5.241 ( -3.347 -5.797 -3.798) 7.696 5.520 ( 2.984 5.168 -0.826) 6.025 5.664 ( -7.769 -13.456 2.037) 15.670 6.331 ( 2.030 3.516 12.043) 12.709 6.398 ( 0.661 1.145 -4.447) 4.640 6.642 ( -6.929 -12.001 -0.282) 13.860 6.712 ( 4.201 7.277 -8.781) 12.154 6.836 ( 4.274 7.403 3.132) 9.104 6.910 ( -4.643 -8.042 -6.361) 11.256 7.033 ( 3.392 5.875 -6.262) 9.233 7.721 ( 1.801 3.120 -4.726) 5.943 7.765 ( -0.617 -1.069 10.140) 10.215 7.854 ( -2.032 -3.519 7.322) 8.374 8.038 ( 3.218 5.573 4.740) 7.992 8.118 ( 3.533 6.119 3.647) 7.951 8.447 ( 2.755 4.773 -2.707) 6.140 8.777 ( -7.373 -12.770 -2.990) 15.046 9.356 ( -6.097 -10.561 -8.578) 14.910 9.471 ( -4.132 -7.156 1.593) 8.415 9.575 ( -1.234 -2.138 -2.067) 3.220 9.741 ( -2.305 -3.992 1.225) 4.770 10.314 ( -7.284 -12.616 0.968) 14.599 10.341 ( -5.301 -9.181 4.703) 11.598 10.853 ( 5.249 9.091 -0.370) 10.504 11.070 ( 0.634 1.097 0.592) 1.399 11.162 ( 1.899 3.290 -4.478) 5.873 11.202 ( 3.004 5.202 2.578) 6.537 11.275 ( 4.066 7.042 -0.546) 8.149 11.648 ( 7.576 13.121 1.574) 15.233 12.222 ( 3.549 6.147 -0.747) 7.137 12.282 ( 3.016 5.224 -0.991) 6.113 12.371 ( 4.976 8.618 1.821) 10.117 13.114 ( 8.796 15.235 -17.798) 25.024 14.173 ( -3.716 -6.437 12.370) 14.431 14.375 ( 1.062 1.839 -0.214) 2.134 14.431 ( 0.454 0.787 -3.128) 3.257 14.472 ( 0.488 0.845 0.580) 1.135 15.998 ( -1.099 -1.904 1.992) 2.967 16.271 ( -2.167 -3.753 -5.462) 6.972 16.728 ( -9.278 -16.070 7.431) 19.988 17.022 ( -4.944 -8.564 -3.878) 10.622 ======================= Grid point 146 (24/68) ======================= q-point: ( 0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 0.304 24.731 14.614) 28.728 2.032 ( 14.597 20.760 4.561) 25.785 2.303 ( 3.794 4.265 -11.183) 12.556 2.611 ( -0.042 -6.998 -20.285) 21.458 2.744 ( 26.591 20.804 -1.734) 33.807 3.174 ( 2.152 1.171 15.497) 15.689 3.600 ( -5.920 -3.652 2.044) 7.250 3.671 ( 3.645 -0.658 -4.617) 5.920 3.885 ( -13.579 -7.385 -10.258) 18.552 4.073 ( -0.279 -4.364 -7.521) 8.700 4.445 ( -0.907 0.011 14.855) 14.883 4.572 ( -0.111 -10.984 11.892) 16.189 5.121 ( -0.597 -7.770 -0.692) 7.823 5.295 ( 2.810 -0.380 2.733) 3.938 5.446 ( -9.641 -3.406 -2.850) 10.614 5.584 ( 4.431 -1.114 -4.005) 6.076 6.268 ( -9.463 -7.164 -4.473) 12.684 6.327 ( -3.885 3.941 10.331) 11.720 6.466 ( -2.593 -2.055 -0.426) 3.336 6.666 ( -6.294 -8.712 4.672) 11.719 6.956 ( 8.532 10.017 -5.547) 14.280 7.055 ( 4.713 9.630 -0.358) 10.728 7.254 ( 9.148 10.114 -10.595) 17.269 7.641 ( -8.539 1.996 5.518) 10.361 7.755 ( -3.012 0.625 0.152) 3.080 7.864 ( 7.503 -6.130 1.829) 9.860 8.131 ( 3.473 -0.383 1.769) 3.916 8.269 ( 2.489 7.722 3.432) 8.809 8.443 ( 0.224 -5.915 -3.729) 6.996 8.596 ( -2.921 -2.902 -1.209) 4.291 9.126 ( -8.570 -6.270 -6.332) 12.364 9.312 ( -4.175 -7.957 -1.059) 9.048 9.507 ( -2.395 -6.461 0.084) 6.891 9.611 ( -6.665 -4.390 2.210) 8.281 10.082 ( -6.878 -7.718 0.935) 10.380 10.139 ( -7.000 -6.363 4.241) 10.367 11.028 ( 4.884 5.720 0.591) 7.545 11.073 ( -2.236 3.386 0.792) 4.134 11.201 ( -2.318 7.732 -0.048) 8.072 11.376 ( 8.448 6.524 -3.922) 11.371 11.498 ( 15.738 -2.667 -1.077) 15.999 11.881 ( 5.410 9.603 1.560) 11.132 12.297 ( -2.343 7.010 -1.117) 7.475 12.455 ( 9.060 4.065 -3.356) 10.482 12.575 ( 8.057 7.001 3.502) 11.234 13.309 ( 0.617 8.239 -4.543) 9.429 14.040 ( -3.288 -5.680 10.468) 12.355 14.404 ( 0.265 -0.251 -2.388) 2.416 14.474 ( 2.129 3.139 -2.465) 4.524 14.493 ( 1.051 0.596 0.923) 1.521 15.947 ( -1.737 -2.811 -1.462) 3.613 16.069 ( -11.942 -13.539 -1.959) 18.159 16.454 ( -5.701 -4.757 8.283) 11.124 16.868 ( -3.712 -7.158 -7.990) 11.352 ======================= Grid point 147 (25/68) ======================= q-point: ( 0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -0.321 18.925 13.085) 23.011 2.204 ( -4.941 4.719 -5.988) 9.086 2.563 ( 0.685 -0.082 -10.018) 10.042 2.631 ( 14.234 11.503 1.337) 18.349 3.201 ( 6.200 -1.881 9.132) 11.197 3.387 ( 16.787 7.190 -3.028) 18.511 3.417 ( -7.553 -1.646 4.260) 8.827 3.563 ( -7.755 -6.246 -6.518) 11.901 3.776 ( 5.598 -2.988 -10.957) 12.662 4.005 ( -3.284 3.373 -10.347) 11.368 4.259 ( -8.618 -4.104 9.581) 13.524 4.742 ( 18.270 -6.277 12.402) 22.957 5.067 ( -4.131 -8.027 -1.939) 9.233 5.130 ( -6.250 -8.143 1.337) 10.352 5.336 ( 5.276 -4.733 -0.387) 7.098 5.716 ( 2.616 8.870 -1.148) 9.319 6.014 ( -10.312 -5.687 -2.202) 11.980 6.271 ( -4.762 -0.040 2.678) 5.463 6.389 ( -8.585 -4.940 2.640) 10.251 6.587 ( 6.120 4.924 5.771) 9.747 7.034 ( -14.963 8.024 -5.457) 17.834 7.269 ( 11.745 7.628 0.587) 14.017 7.501 ( 3.642 5.686 4.151) 7.926 7.580 ( 0.605 4.455 -1.142) 4.639 7.714 ( -1.073 3.332 -1.700) 3.892 7.918 ( 6.144 -7.550 -5.935) 11.401 8.178 ( 1.734 -0.208 2.086) 2.721 8.199 ( -5.902 -4.997 -6.167) 9.891 8.502 ( 2.774 2.209 -2.936) 4.604 8.593 ( 3.750 1.249 5.076) 6.433 8.943 ( -6.892 -2.259 -1.228) 7.356 9.179 ( -1.381 -7.318 -2.771) 7.947 9.333 ( -6.723 -10.032 1.898) 12.225 9.466 ( -4.150 -3.378 3.599) 6.448 9.872 ( -9.428 -4.756 1.550) 10.673 10.003 ( -2.258 -4.185 0.473) 4.779 11.073 ( -2.299 5.009 1.226) 5.646 11.134 ( 1.081 3.638 0.818) 3.882 11.254 ( 0.103 6.750 3.658) 7.678 11.617 ( 11.107 4.956 -3.795) 12.741 11.733 ( 13.721 -3.998 -4.241) 14.907 12.051 ( 4.084 6.919 0.798) 8.074 12.303 ( -2.691 3.489 -0.307) 4.417 12.639 ( 5.074 6.048 -7.741) 11.057 12.779 ( 9.415 1.110 4.590) 10.533 13.338 ( -3.647 3.883 5.149) 7.409 13.954 ( -0.684 -3.746 4.692) 6.043 14.366 ( -2.762 -3.779 -5.070) 6.900 14.522 ( 1.228 0.896 0.212) 1.535 14.546 ( 1.420 3.679 -1.354) 4.169 15.658 ( -15.358 -9.646 8.588) 20.066 15.906 ( -0.564 -2.931 -4.928) 5.762 16.384 ( -0.813 -0.663 3.787) 3.930 16.730 ( -3.845 -6.699 -7.888) 11.039 ======================= Grid point 148 (26/68) ======================= q-point: ( 0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -7.783 2.992 5.128) 9.789 2.158 ( 0.874 11.914 9.054) 14.989 2.546 ( -3.511 3.252 -3.674) 6.033 2.903 ( 4.420 3.781 0.456) 5.835 3.221 ( -3.338 -0.637 3.280) 4.723 3.319 ( -1.870 -1.516 5.399) 5.911 3.375 ( 1.937 0.868 3.315) 3.937 3.723 ( 0.730 -9.038 -6.995) 11.452 3.747 ( 12.622 -3.466 -2.163) 13.266 4.080 ( -0.636 -5.188 1.537) 5.448 4.233 ( 2.588 19.567 -16.655) 25.826 4.726 ( -10.556 -11.748 -11.197) 19.360 4.899 ( 14.990 -21.579 5.974) 26.946 5.244 ( 9.495 3.004 8.080) 12.824 5.421 ( 9.103 -2.094 0.502) 9.354 5.791 ( -7.134 2.932 -1.464) 7.851 5.806 ( -3.518 -1.625 1.488) 4.151 6.145 ( -6.980 -4.104 1.162) 8.180 6.259 ( -5.254 9.158 2.178) 10.780 6.710 ( -10.769 3.158 -2.273) 11.450 6.848 ( -2.106 9.654 3.498) 10.482 7.407 ( -2.444 0.087 1.443) 2.839 7.542 ( 0.293 1.981 -2.714) 3.373 7.684 ( 4.625 6.504 5.252) 9.554 7.814 ( 6.431 -1.071 -3.273) 7.295 7.955 ( 4.022 -3.128 -9.129) 10.454 8.092 ( -1.876 0.809 -3.668) 4.199 8.172 ( -0.531 -2.964 4.059) 5.054 8.572 ( 2.029 4.037 -0.831) 4.593 8.655 ( -0.336 1.270 1.303) 1.850 8.832 ( -2.888 -1.636 4.100) 5.275 9.060 ( -4.460 -9.320 1.613) 10.458 9.180 ( 0.542 -3.391 0.068) 3.435 9.388 ( -1.747 -1.531 4.018) 4.641 9.670 ( -7.961 -2.703 -1.156) 8.486 9.948 ( 0.437 -3.995 -3.722) 5.478 11.091 ( -1.744 5.166 0.612) 5.486 11.157 ( -2.278 4.071 4.763) 6.667 11.328 ( 0.762 4.767 4.412) 6.540 11.825 ( 9.224 -3.255 0.707) 9.807 11.916 ( 9.133 0.999 -10.072) 13.633 12.152 ( -0.990 5.314 0.349) 5.416 12.305 ( 3.079 -1.713 -1.665) 3.897 12.754 ( 1.388 4.618 -11.193) 12.188 12.919 ( 7.738 -4.067 5.252) 10.198 13.285 ( -5.083 2.442 10.199) 11.654 13.942 ( 2.265 -1.155 0.004) 2.542 14.216 ( -6.492 -7.782 -5.257) 11.417 14.548 ( -0.060 1.887 -0.918) 2.099 14.594 ( 0.318 2.683 -0.753) 2.805 15.391 ( -8.987 0.842 15.837) 18.229 15.877 ( 0.327 -2.404 -6.780) 7.201 16.390 ( 1.896 -0.294 0.316) 1.944 16.596 ( -3.588 -5.681 -5.794) 8.872 ======================= Grid point 149 (27/68) ======================= q-point: ( 0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -2.950 5.109 11.888) 13.271 2.255 ( -2.529 4.381 2.818) 5.791 2.520 ( -4.839 8.382 3.689) 10.358 2.938 ( -0.992 1.719 3.696) 4.195 3.157 ( 0.004 -0.007 -6.574) 6.574 3.358 ( -2.668 4.621 8.835) 10.321 3.375 ( 2.214 -3.835 3.470) 5.626 3.698 ( 4.273 -7.401 -7.974) 11.688 3.874 ( 4.254 -7.367 -0.587) 8.527 4.005 ( 1.007 -1.744 5.343) 5.710 4.418 ( -5.537 9.591 -16.550) 19.914 4.522 ( 3.865 -6.694 -15.223) 17.073 4.912 ( 13.508 -23.396 5.656) 27.601 5.380 ( 1.952 -3.380 1.399) 4.147 5.570 ( 0.410 -0.709 3.027) 3.136 5.640 ( -0.870 1.507 -3.739) 4.124 5.773 ( 2.310 -4.000 5.117) 6.894 6.058 ( -2.985 5.171 -1.654) 6.196 6.286 ( -5.667 9.815 4.165) 12.074 6.549 ( -8.185 14.176 -3.503) 16.740 6.932 ( -2.257 3.910 3.265) 5.571 7.370 ( -0.520 0.901 1.815) 2.092 7.535 ( -1.194 2.068 -2.643) 3.562 7.762 ( 0.694 -1.201 -2.141) 2.551 7.911 ( 4.782 -8.283 -9.662) 13.595 7.986 ( -1.064 1.842 9.318) 9.557 8.036 ( 1.813 -3.139 -0.923) 3.741 8.178 ( -2.616 4.531 -0.948) 5.317 8.626 ( -1.465 2.537 0.410) 2.958 8.632 ( -0.540 0.935 -1.604) 1.933 8.807 ( 0.876 -1.517 7.137) 7.349 8.946 ( 1.983 -3.434 2.861) 4.890 9.182 ( 1.919 -3.323 2.672) 4.676 9.369 ( -1.226 2.123 3.372) 4.169 9.573 ( -0.283 0.491 -4.696) 4.730 9.931 ( 2.154 -3.730 -5.813) 7.235 11.106 ( -2.399 4.155 -1.468) 5.017 11.154 ( -2.698 4.673 8.843) 10.360 11.362 ( -1.797 3.113 4.338) 5.633 11.883 ( 4.835 -8.375 1.132) 9.736 12.029 ( -0.350 0.606 -11.305) 11.327 12.145 ( -2.078 3.599 1.345) 4.368 12.345 ( 3.347 -5.796 -4.405) 8.013 12.785 ( -0.709 1.227 -11.652) 11.738 12.970 ( 4.048 -7.012 4.638) 9.331 13.243 ( -2.852 4.939 12.125) 13.400 14.000 ( 1.182 -2.047 -3.228) 4.001 14.057 ( 1.433 -2.482 -2.019) 3.506 14.557 ( -1.331 2.306 -1.290) 2.959 14.611 ( -0.813 1.407 -0.637) 1.746 15.323 ( -3.594 6.224 17.509) 18.927 15.868 ( 1.109 -1.921 -7.111) 7.449 16.423 ( 1.091 -1.889 -2.612) 3.403 16.515 ( 1.170 -2.027 -3.346) 4.083 ======================= Grid point 158 (28/68) ======================= q-point: ( 0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 6.405 11.093 7.696) 14.944 2.393 ( 4.566 7.909 -1.197) 9.211 2.405 ( 4.454 7.715 -11.260) 14.358 2.561 ( 4.956 8.584 0.443) 9.922 3.126 ( -2.777 -4.809 15.038) 16.031 3.237 ( 12.338 21.369 -10.862) 26.960 3.489 ( -4.216 -7.303 6.358) 10.561 3.659 ( -0.702 -1.216 -13.198) 13.273 3.672 ( -5.929 -10.269 -9.167) 14.988 4.095 ( 3.333 5.773 -15.334) 16.720 4.315 ( -5.505 -9.535 14.381) 18.112 4.476 ( -0.581 -1.006 15.050) 15.095 5.047 ( 1.295 2.243 8.858) 9.229 5.199 ( -10.437 -18.078 -3.799) 21.218 5.236 ( -1.782 -3.087 0.152) 3.568 5.728 ( 5.340 9.250 -2.113) 10.888 6.082 ( -4.680 -8.106 -9.194) 13.120 6.310 ( -2.915 -5.048 8.779) 10.538 6.488 ( -3.952 -6.846 2.817) 8.392 6.524 ( 4.165 7.214 4.089) 9.280 7.197 ( 7.617 13.194 -0.728) 15.252 7.346 ( 5.977 10.352 -7.370) 14.043 7.372 ( 1.339 2.320 -8.040) 8.475 7.662 ( -2.428 -4.206 3.438) 5.950 7.742 ( 0.141 0.245 0.343) 0.445 7.758 ( 0.121 0.209 5.191) 5.197 8.139 ( 0.682 1.181 2.934) 3.235 8.264 ( -4.441 -7.692 -7.672) 11.737 8.479 ( 5.336 9.242 -2.722) 11.014 8.552 ( -0.655 -1.134 6.222) 6.358 9.016 ( -2.413 -4.179 -5.511) 7.325 9.134 ( -4.887 -8.465 -0.188) 9.777 9.342 ( -5.397 -9.348 0.867) 10.829 9.486 ( -3.916 -6.782 1.181) 7.920 9.947 ( -3.296 -5.709 0.027) 6.592 9.993 ( -4.147 -7.183 4.544) 9.458 11.136 ( 2.934 5.081 1.671) 6.101 11.145 ( 1.861 3.223 -1.708) 4.095 11.383 ( 3.602 6.239 2.482) 7.620 11.450 ( 0.868 1.503 4.878) 5.177 11.557 ( 5.544 9.602 -9.753) 14.767 12.043 ( 3.656 6.332 1.797) 7.529 12.454 ( 1.579 2.735 -6.012) 6.791 12.481 ( 1.772 3.069 2.179) 4.161 12.748 ( 4.994 8.649 -2.255) 10.239 13.393 ( 0.230 0.398 7.360) 7.374 13.938 ( -2.045 -3.541 4.897) 6.380 14.372 ( -2.040 -3.533 -5.753) 7.053 14.515 ( 0.954 1.653 1.194) 2.251 14.554 ( 2.394 4.147 -1.756) 5.100 15.748 ( -8.671 -15.018 8.297) 19.224 15.893 ( -1.420 -2.460 -6.678) 7.257 16.390 ( -1.145 -1.983 5.506) 5.963 16.727 ( -3.782 -6.550 -8.755) 11.570 ======================= Grid point 159 (29/68) ======================= q-point: ( 0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -0.959 12.202 6.504) 13.860 2.352 ( -8.844 8.272 -6.307) 13.654 2.603 ( 3.719 6.631 -8.238) 11.210 2.839 ( 6.967 5.997 7.460) 11.838 3.088 ( 8.933 -5.773 3.794) 11.292 3.354 ( -3.971 -1.082 12.160) 12.838 3.461 ( -7.512 -1.342 -4.547) 8.883 3.518 ( 6.805 -1.263 -6.632) 9.585 3.606 ( 1.079 -10.515 -9.893) 14.478 4.099 ( -7.970 -1.916 7.198) 10.909 4.360 ( 8.483 7.978 -16.611) 20.286 4.464 ( 6.642 -8.010 12.911) 16.582 4.804 ( -11.401 -14.707 -5.978) 19.545 5.155 ( 2.011 0.857 1.928) 2.915 5.240 ( 8.857 1.717 7.048) 11.449 5.846 ( -0.229 2.903 1.210) 3.153 5.918 ( -6.591 -5.431 -5.697) 10.266 6.207 ( -3.368 -3.142 3.616) 5.856 6.436 ( -2.462 9.658 0.313) 9.972 6.716 ( 7.533 6.487 2.864) 10.345 7.180 ( -17.923 4.937 -6.782) 19.789 7.441 ( 2.617 5.721 -0.306) 6.299 7.508 ( 5.581 -3.371 -4.666) 8.017 7.560 ( 3.959 -9.565 -1.584) 10.472 7.748 ( -0.785 1.149 1.277) 1.889 7.914 ( 6.358 10.959 3.277) 13.087 8.123 ( -3.375 -4.591 -2.422) 6.192 8.162 ( 0.940 0.525 4.043) 4.184 8.551 ( 1.669 0.450 6.333) 6.564 8.643 ( 3.386 3.433 -1.174) 4.963 8.910 ( -7.429 -1.361 -0.454) 7.566 9.033 ( 2.051 -4.579 -2.766) 5.729 9.134 ( -5.496 -9.310 2.907) 11.195 9.391 ( -0.375 -2.166 -3.098) 3.799 9.792 ( -8.350 -3.325 0.883) 9.031 9.888 ( 0.027 -6.949 0.253) 6.954 11.205 ( -1.431 7.455 -3.417) 8.324 11.228 ( 0.812 5.224 4.133) 6.710 11.396 ( -3.485 6.101 6.152) 9.339 11.592 ( 10.754 -4.170 2.912) 11.896 11.767 ( 9.218 4.795 -8.998) 13.745 12.156 ( 3.461 3.555 0.983) 5.058 12.373 ( -8.284 2.191 -2.588) 8.951 12.596 ( 8.295 -7.565 -0.478) 11.237 12.909 ( 2.675 8.906 -7.020) 11.651 13.361 ( -2.444 -0.779 12.976) 13.227 13.899 ( 0.506 -1.590 0.196) 1.680 14.240 ( -5.550 -8.413 -6.739) 12.124 14.561 ( 1.380 2.771 0.681) 3.169 14.624 ( 0.616 3.562 -0.889) 3.723 15.512 ( -5.972 -4.061 16.491) 18.003 15.853 ( -0.380 -2.093 -11.145) 11.347 16.365 ( 0.121 -0.951 3.152) 3.295 16.596 ( -3.435 -6.174 -6.968) 9.923 ======================= Grid point 160 (30/68) ======================= q-point: ( 0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -11.474 12.591 0.596) 17.045 2.382 ( -3.392 10.175 4.090) 11.479 2.684 ( -2.190 8.381 -1.142) 8.737 2.957 ( 3.067 3.021 1.342) 4.509 3.164 ( -1.510 -3.632 -4.324) 5.845 3.278 ( 3.405 -4.312 4.354) 7.010 3.454 ( -2.009 2.686 7.549) 8.260 3.467 ( 6.052 -12.907 -14.124) 20.067 3.673 ( 9.571 -3.087 2.163) 10.286 3.955 ( -2.701 -5.538 8.096) 10.174 4.358 ( 2.326 -15.864 -8.279) 18.045 4.462 ( 7.155 -19.065 12.397) 23.840 4.688 ( -7.056 16.190 -11.084) 20.850 5.289 ( 11.287 3.570 -8.680) 14.680 5.462 ( 8.054 5.579 6.689) 11.864 5.663 ( -7.684 -11.865 0.757) 14.156 5.847 ( -6.330 4.179 -1.595) 7.751 6.143 ( -1.708 0.073 -1.227) 2.104 6.520 ( -4.898 15.065 1.614) 15.923 6.817 ( -6.129 5.992 -9.425) 12.740 7.018 ( -2.826 6.359 2.119) 7.275 7.390 ( -2.653 -2.118 6.715) 7.524 7.544 ( 7.117 -12.177 -11.267) 18.052 7.567 ( 0.487 -3.086 -3.385) 4.607 7.830 ( 3.265 6.930 5.586) 9.481 8.035 ( -1.453 3.912 3.190) 5.253 8.041 ( -1.998 -2.514 3.821) 4.991 8.232 ( 3.571 2.658 1.149) 4.598 8.601 ( 3.428 -1.306 5.721) 6.796 8.666 ( -1.849 0.251 -0.909) 2.075 8.782 ( -2.277 -3.476 4.971) 6.479 8.961 ( -4.426 -0.351 2.877) 5.291 9.076 ( 2.545 -2.927 -2.473) 4.600 9.434 ( 2.238 5.132 -3.551) 6.630 9.616 ( -6.653 -2.925 -1.941) 7.522 9.833 ( 2.211 -7.098 -3.417) 8.182 11.242 ( -4.177 9.191 -4.541) 11.070 11.263 ( -2.787 5.675 7.555) 9.851 11.415 ( -0.675 3.303 7.663) 8.372 11.694 ( 6.718 -6.790 1.319) 9.642 11.976 ( 8.599 2.535 -9.529) 13.083 12.231 ( -1.484 -5.644 -4.430) 7.327 12.238 ( -1.872 3.176 1.829) 4.116 12.614 ( 5.872 -11.492 1.383) 12.979 13.016 ( -1.035 7.979 -11.049) 13.668 13.318 ( -2.032 0.928 13.685) 13.866 13.922 ( 3.681 -0.891 -1.512) 4.078 14.048 ( -4.677 -7.831 -3.461) 9.756 14.612 ( 0.103 3.806 -0.288) 3.818 14.646 ( -1.374 2.181 -0.006) 2.578 15.433 ( -3.077 2.757 19.369) 19.805 15.835 ( 0.453 -1.613 -13.296) 13.402 16.377 ( 1.888 -0.749 0.064) 2.032 16.488 ( -1.718 -4.635 -3.940) 6.321 ======================= Grid point 166 (31/68) ======================= q-point: (-0.09 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -11.605 20.101 8.766) 24.811 1.042 ( -10.835 18.767 8.561) 23.300 2.311 ( 1.145 -1.984 -24.209) 24.317 2.423 ( -19.505 33.784 22.952) 45.261 2.739 ( -2.291 3.969 -1.487) 4.818 3.141 ( 1.743 -3.019 -5.029) 6.119 3.624 ( -1.599 2.769 -1.613) 3.581 3.689 ( 2.478 -4.293 2.784) 5.685 4.107 ( 5.892 -10.206 -8.670) 14.630 4.150 ( -0.778 1.347 18.690) 18.754 4.435 ( 1.608 -2.786 -5.668) 6.517 4.926 ( 6.448 -11.168 0.550) 12.908 5.229 ( -3.982 6.897 2.751) 8.426 5.315 ( -1.594 2.762 -1.687) 3.608 5.617 ( -3.228 5.592 1.675) 6.670 5.743 ( 8.222 -14.241 2.514) 16.635 5.964 ( 4.830 -8.366 1.607) 9.793 6.496 ( -5.568 9.643 -0.176) 11.137 6.522 ( 9.595 -16.620 -6.523) 20.269 6.668 ( -0.560 0.971 -7.270) 7.356 6.728 ( -6.289 10.893 -0.585) 12.592 7.013 ( 0.468 -0.811 4.238) 4.340 7.146 ( 1.039 -1.800 -2.999) 3.648 7.641 ( -0.070 0.122 -7.748) 7.749 7.821 ( 3.773 -6.536 1.615) 7.717 7.893 ( -0.506 0.876 18.994) 19.021 8.104 ( -2.703 4.682 -0.509) 5.430 8.225 ( -7.337 12.707 8.234) 16.826 8.286 ( -2.756 4.773 -13.761) 14.824 8.750 ( 6.045 -10.470 7.265) 14.105 9.329 ( 4.697 -8.135 -3.854) 10.153 9.442 ( 5.925 -10.263 -6.038) 13.300 9.624 ( 2.562 -4.438 -4.037) 6.523 9.739 ( -0.463 0.802 2.398) 2.571 10.285 ( 6.899 -11.950 3.564) 14.251 10.313 ( 7.238 -12.537 1.275) 14.533 10.894 ( -5.466 9.468 2.921) 11.316 11.025 ( -0.631 1.093 -0.836) 1.514 11.144 ( -1.268 2.196 1.347) 2.871 11.164 ( -1.696 2.937 -5.348) 6.333 11.540 ( -5.505 9.534 -4.066) 11.736 11.561 ( -6.947 12.032 7.807) 15.937 12.223 ( -4.400 7.622 0.173) 8.803 12.256 ( -1.402 2.429 -2.585) 3.814 12.442 ( -7.781 13.477 4.778) 16.278 12.870 ( -4.133 7.159 -19.906) 21.554 14.161 ( 2.462 -4.265 7.664) 9.110 14.410 ( -0.912 1.580 1.241) 2.207 14.428 ( -0.146 0.253 -1.285) 1.317 14.503 ( -1.408 2.439 -0.079) 2.818 16.014 ( 0.291 -0.504 2.377) 2.447 16.278 ( 1.905 -3.300 -5.898) 7.021 16.683 ( 11.136 -19.288 6.008) 23.068 17.104 ( 3.430 -5.941 -2.023) 7.152 ======================= Grid point 170 (32/68) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 3.538 6.128 -6.779) 9.799 2.510 ( 4.818 8.344 5.218) 10.957 2.827 ( -0.892 -1.545 3.459) 3.892 2.831 ( 6.478 11.220 -7.934) 15.192 3.051 ( 0.802 1.390 -3.967) 4.279 3.273 ( -4.663 -8.077 6.358) 11.288 3.334 ( -6.554 -11.353 -15.281) 20.133 3.476 ( -2.524 -4.372 -4.680) 6.884 3.571 ( 6.275 10.868 14.879) 19.465 4.045 ( -2.883 -4.993 13.274) 14.472 4.090 ( -6.036 -10.454 4.077) 12.741 4.356 ( -9.517 -16.484 2.513) 19.199 4.928 ( 10.281 17.807 -13.726) 24.722 5.098 ( 0.169 0.292 -2.190) 2.216 5.440 ( 7.497 12.984 4.074) 15.537 5.669 ( -7.901 -13.686 0.883) 15.827 5.959 ( 1.965 3.404 -4.686) 6.116 6.135 ( -2.798 -4.846 0.702) 5.640 6.690 ( 6.605 11.440 -5.763) 14.412 6.839 ( 3.121 5.406 -0.729) 6.285 7.196 ( -4.973 -8.613 -15.985) 18.827 7.277 ( -1.402 -2.429 -0.293) 2.820 7.417 ( -2.735 -4.737 10.581) 11.911 7.576 ( 0.753 1.304 -3.047) 3.399 7.855 ( 4.473 7.747 6.678) 11.163 8.024 ( -1.432 -2.481 -2.967) 4.124 8.125 ( 2.674 4.632 5.945) 7.997 8.147 ( -0.994 -1.722 6.548) 6.843 8.546 ( 0.579 1.003 7.063) 7.157 8.687 ( 0.593 1.026 -1.305) 1.763 8.812 ( -4.026 -6.973 5.275) 9.625 8.942 ( -4.370 -7.570 3.045) 9.256 9.114 ( 5.097 8.828 -5.075) 11.388 9.412 ( 2.149 3.722 -9.943) 10.832 9.711 ( -4.194 -7.264 -4.010) 9.297 9.731 ( -2.978 -5.158 3.591) 6.955 11.329 ( 2.225 3.855 8.613) 9.695 11.360 ( 3.830 6.634 -7.630) 10.812 11.470 ( 0.311 0.539 6.621) 6.650 11.548 ( 0.397 0.687 2.957) 3.062 11.873 ( 3.356 5.812 -6.299) 9.204 12.199 ( -0.508 -0.880 -2.568) 2.762 12.334 ( -3.077 -5.330 -2.518) 6.649 12.459 ( -2.080 -3.602 3.396) 5.370 13.073 ( 3.638 6.301 -12.671) 14.612 13.339 ( -0.528 -0.914 14.233) 14.272 13.881 ( -0.052 -0.089 -0.924) 0.930 14.049 ( -5.070 -8.782 -4.190) 10.972 14.626 ( 1.864 3.229 0.847) 3.823 14.679 ( 0.832 1.440 0.020) 1.663 15.477 ( -0.021 -0.036 19.914) 19.914 15.822 ( -0.564 -0.977 -16.495) 16.533 16.354 ( 0.103 0.178 1.809) 1.820 16.479 ( -2.852 -4.940 -4.350) 7.174 ======================= Grid point 171 (33/68) ======================= q-point: ( 0.36 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -9.066 15.704 -5.906) 19.071 2.595 ( -5.581 9.667 3.326) 11.647 2.802 ( -1.280 2.218 0.366) 2.587 3.059 ( 2.782 -4.818 0.139) 5.566 3.081 ( -4.345 7.525 -2.144) 8.950 3.090 ( 9.404 -16.288 -13.819) 23.339 3.221 ( 2.416 -4.185 -5.375) 7.227 3.382 ( 4.603 -7.972 -2.371) 9.506 3.766 ( -5.200 9.007 15.858) 18.964 3.894 ( -0.394 0.682 11.780) 11.806 4.081 ( 5.438 -9.419 -7.045) 12.958 4.095 ( 8.254 -14.296 16.144) 23.090 5.028 ( -9.214 15.959 -3.994) 18.856 5.357 ( 2.417 -4.186 -4.286) 6.459 5.359 ( 5.289 -9.161 -0.570) 10.593 5.662 ( -5.321 9.217 -2.237) 10.875 5.938 ( -2.728 4.726 -4.226) 6.902 6.074 ( 3.893 -6.743 -3.362) 8.481 6.805 ( -6.213 10.760 -6.923) 14.223 6.914 ( -1.126 1.951 -16.755) 16.905 7.079 ( 0.705 -1.222 -2.289) 2.689 7.300 ( 3.046 -5.276 2.744) 6.682 7.333 ( 1.470 -2.545 13.336) 13.656 7.575 ( -0.185 0.320 -1.432) 1.479 7.962 ( -3.232 5.599 0.718) 6.504 8.047 ( -0.864 1.496 10.137) 10.283 8.051 ( 0.185 -0.321 0.562) 0.673 8.173 ( 3.878 -6.716 4.019) 8.735 8.598 ( -0.972 1.683 7.205) 7.462 8.699 ( 1.140 -1.974 6.279) 6.680 8.705 ( -1.137 1.970 -0.340) 2.300 8.850 ( 3.910 -6.772 4.001) 8.784 9.244 ( -7.311 12.662 -9.168) 17.258 9.519 ( 2.907 -5.035 -8.317) 10.147 9.539 ( -0.837 1.449 -3.488) 3.868 9.683 ( 3.109 -5.385 1.851) 6.487 11.367 ( -2.046 3.545 10.752) 11.505 11.439 ( -4.553 7.885 -9.497) 13.157 11.467 ( -1.335 2.312 7.146) 7.628 11.566 ( 3.098 -5.365 2.363) 6.630 11.997 ( 0.652 -1.130 -6.914) 7.036 12.090 ( 3.004 -5.204 -4.039) 7.240 12.302 ( -1.914 3.315 1.802) 4.230 12.420 ( 3.769 -6.528 2.299) 7.881 13.144 ( -2.077 3.597 -15.178) 15.736 13.329 ( -0.137 0.238 14.021) 14.023 13.901 ( 0.837 -1.450 -1.516) 2.258 13.928 ( 1.501 -2.599 -1.263) 3.256 14.675 ( -0.736 1.275 0.959) 1.756 14.682 ( -0.899 1.557 0.396) 1.841 15.481 ( -0.807 1.398 20.597) 20.660 15.812 ( 0.350 -0.607 -18.633) 18.646 16.369 ( -0.094 0.163 -0.081) 0.205 16.412 ( 1.393 -2.413 -1.820) 3.328 ======================= Grid point 177 (34/68) ======================= q-point: (-0.18 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -8.834 18.588 5.837) 21.393 1.662 ( -31.734 11.033 -5.888) 34.110 2.297 ( 1.703 4.270 -16.419) 17.051 2.709 ( -0.509 0.282 1.570) 1.674 3.070 ( -1.852 4.929 0.763) 5.321 3.149 ( -14.157 17.669 8.173) 24.071 3.543 ( 6.192 -8.419 0.612) 10.469 3.727 ( -3.546 5.551 -8.005) 10.367 3.891 ( 6.790 -5.874 -7.374) 11.618 4.181 ( 4.293 0.192 1.692) 4.618 4.409 ( -0.029 0.501 10.676) 10.688 4.678 ( 5.573 -9.585 12.725) 16.877 5.265 ( 2.467 -1.416 1.538) 3.233 5.354 ( -2.622 -5.008 3.655) 6.732 5.524 ( 5.477 2.410 -1.768) 6.239 5.604 ( 4.573 -8.813 -0.863) 9.966 5.869 ( -0.545 -3.611 -1.947) 4.138 6.329 ( 0.020 3.243 -2.733) 4.241 6.552 ( 5.562 -6.592 0.394) 8.634 6.632 ( 2.459 -2.477 4.257) 5.505 6.980 ( -3.861 11.841 -5.676) 13.687 7.071 ( -7.427 6.765 5.696) 11.549 7.206 ( -6.715 5.431 -10.152) 13.329 7.549 ( 4.111 -7.234 -4.778) 9.594 7.664 ( 6.689 -2.170 -0.714) 7.069 7.912 ( -3.255 -6.609 8.827) 11.498 8.153 ( 1.538 5.494 -0.297) 5.713 8.369 ( -5.352 -4.290 -5.816) 8.993 8.470 ( -4.266 10.184 5.378) 12.282 8.620 ( 3.095 -0.740 3.480) 4.716 9.114 ( 11.015 -6.060 -4.700) 13.421 9.268 ( 0.524 -10.542 -3.613) 11.156 9.540 ( 3.212 -1.526 -1.812) 3.991 9.702 ( 5.464 -0.125 3.844) 6.682 10.019 ( 7.861 -12.763 1.946) 15.116 10.089 ( 5.184 -7.599 1.876) 9.388 11.040 ( -1.880 5.287 1.878) 5.917 11.060 ( -0.112 2.598 -0.039) 2.601 11.159 ( 1.020 5.272 -1.538) 5.585 11.307 ( -10.763 1.387 -2.510) 11.139 11.728 ( -6.848 5.109 -5.536) 10.180 11.809 ( -8.343 9.176 7.005) 14.244 12.267 ( 1.818 2.649 -2.405) 4.013 12.420 ( -7.357 5.639 -2.207) 9.529 12.738 ( -6.978 15.014 7.807) 18.304 12.987 ( -7.652 -2.868 -10.253) 13.111 14.083 ( 2.597 -2.447 6.742) 7.628 14.437 ( -0.078 1.379 -0.344) 1.423 14.449 ( -1.742 1.198 -0.253) 2.129 14.551 ( -0.565 3.052 -0.513) 3.146 15.999 ( 4.266 -2.584 -0.252) 4.993 16.027 ( 12.783 -17.014 -3.076) 21.503 16.385 ( 2.983 -5.481 5.308) 8.193 16.973 ( 5.688 -3.800 -4.344) 8.103 ======================= Grid point 189 (35/68) ======================= q-point: (-0.27 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -9.127 14.401 4.832) 17.721 2.299 ( -20.876 3.778 -8.930) 23.018 2.335 ( -3.319 13.345 1.688) 13.855 2.676 ( 4.318 1.244 -4.784) 6.563 3.143 ( -8.491 -1.873 1.293) 8.791 3.293 ( 9.219 -9.113 1.992) 13.115 3.562 ( -8.656 9.968 2.990) 13.537 3.687 ( 7.023 -1.760 -6.576) 9.780 3.858 ( 0.560 0.626 -6.503) 6.557 4.098 ( 3.942 -3.586 1.566) 5.554 4.158 ( 10.786 -0.739 1.198) 10.877 4.800 ( -15.627 -4.815 11.656) 20.081 5.104 ( 10.804 -4.941 -0.653) 11.898 5.349 ( -0.176 -15.294 3.112) 15.608 5.382 ( -6.654 -2.129 5.239) 8.733 5.607 ( -0.075 8.733 -4.507) 9.828 5.866 ( 2.295 4.707 -3.210) 6.142 6.329 ( 8.572 -5.782 0.569) 10.355 6.465 ( 7.403 -1.550 5.859) 9.567 6.522 ( -6.534 6.832 5.210) 10.794 6.974 ( 13.927 4.705 -6.139) 15.931 7.345 ( -9.182 9.245 3.191) 13.415 7.417 ( -4.436 3.391 -3.247) 6.459 7.493 ( -4.760 -3.485 -8.902) 10.679 7.571 ( -1.322 3.007 -0.247) 3.294 7.895 ( -5.436 -8.068 -0.464) 9.740 8.180 ( 0.700 3.940 0.992) 4.123 8.386 ( -2.908 -6.395 -1.576) 7.200 8.487 ( 7.073 2.680 -0.384) 7.573 8.646 ( -0.892 3.749 0.477) 3.883 8.871 ( 7.675 -6.057 -0.568) 9.794 9.176 ( -0.504 -8.004 -2.422) 8.377 9.473 ( 6.101 0.446 1.364) 6.267 9.527 ( 9.604 -3.353 7.474) 12.623 9.778 ( 5.420 -9.050 -0.173) 10.551 9.983 ( 0.435 -4.242 -0.452) 4.288 11.066 ( 1.790 3.642 1.714) 4.405 11.115 ( -1.624 3.512 0.580) 3.912 11.214 ( -0.410 4.526 0.912) 4.635 11.553 ( -12.941 3.357 -2.768) 13.653 11.887 ( -6.126 2.800 -5.686) 8.815 12.038 ( -8.807 5.211 4.141) 11.040 12.245 ( 1.541 -0.188 -2.078) 2.594 12.575 ( -3.812 3.746 -4.562) 7.027 12.931 ( -3.541 2.865 1.752) 4.880 13.142 ( -8.510 5.585 3.433) 10.743 14.015 ( 2.516 -1.593 4.503) 5.398 14.442 ( 2.406 1.839 -0.465) 3.064 14.501 ( -2.438 1.455 -1.282) 3.115 14.578 ( 0.832 2.441 -2.085) 3.316 15.468 ( 16.314 -22.966 2.391) 28.272 15.997 ( 1.833 2.461 -0.253) 3.079 16.349 ( -1.294 -1.464 1.521) 2.476 16.821 ( 6.804 -3.819 -4.589) 9.052 ======================= Grid point 190 (36/68) ======================= q-point: (-0.18 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -9.871 17.097 -3.050) 19.977 1.929 ( -11.435 19.805 -6.832) 23.868 2.454 ( -5.710 9.890 -5.696) 12.762 2.734 ( -1.433 2.482 4.421) 5.269 3.024 ( 1.010 -1.749 -0.447) 2.068 3.341 ( 6.066 -10.507 0.183) 12.133 3.530 ( -7.075 12.254 4.253) 14.775 3.745 ( 3.781 -6.549 -7.133) 10.395 3.841 ( -0.668 1.158 -11.221) 11.300 4.184 ( -1.206 2.089 -10.952) 11.215 4.341 ( 10.347 -17.921 16.730) 26.611 4.495 ( -1.048 1.815 16.387) 16.520 5.232 ( 2.175 -3.767 -1.820) 4.715 5.239 ( 0.354 -0.613 9.851) 9.877 5.262 ( 8.912 -15.436 3.571) 18.178 5.657 ( -3.595 6.228 -5.568) 9.095 5.929 ( -2.560 4.434 -7.172) 8.812 6.356 ( 5.308 -9.194 4.608) 11.574 6.504 ( -6.893 11.938 3.656) 14.262 6.541 ( 3.825 -6.625 6.158) 9.820 7.238 ( -1.035 1.792 -15.382) 15.520 7.293 ( -6.192 10.724 -4.980) 13.347 7.318 ( -5.340 9.249 -3.028) 11.100 7.425 ( -1.982 3.432 2.475) 4.672 7.591 ( 2.304 -3.990 -4.638) 6.537 7.791 ( 2.859 -4.952 7.533) 9.457 8.203 ( 0.330 -0.572 2.905) 2.979 8.310 ( 0.344 -0.595 -3.932) 3.991 8.592 ( 1.342 -2.324 5.462) 6.085 8.625 ( -2.147 3.719 0.951) 4.399 9.000 ( 4.638 -8.033 -3.919) 10.070 9.048 ( 3.883 -6.725 -3.687) 8.596 9.539 ( -0.397 0.688 -0.619) 1.007 9.614 ( 6.256 -10.836 10.881) 16.582 9.768 ( 5.045 -8.738 -4.966) 11.246 9.955 ( 2.834 -4.908 2.639) 6.251 11.082 ( -0.379 0.657 -0.515) 0.917 11.168 ( -3.296 5.709 -0.890) 6.652 11.258 ( -2.233 3.868 -2.036) 4.909 11.410 ( -5.378 9.315 3.263) 11.240 11.845 ( -3.383 5.859 -7.302) 9.955 11.961 ( -3.366 5.830 8.327) 10.708 12.279 ( 0.737 -1.277 -6.874) 7.030 12.543 ( -2.940 5.092 -0.260) 5.886 12.938 ( 0.354 -0.613 -7.537) 7.570 13.071 ( -8.705 15.078 10.294) 20.227 14.029 ( 1.615 -2.797 4.531) 5.565 14.479 ( -1.532 2.653 0.086) 3.065 14.481 ( -1.087 1.883 -0.119) 2.178 14.602 ( -0.895 1.549 -2.567) 3.129 15.498 ( 15.879 -27.503 -0.369) 31.760 16.031 ( -1.020 1.767 -0.060) 2.041 16.325 ( 0.819 -1.419 1.995) 2.581 16.865 ( 3.756 -6.505 -3.773) 8.406 ======================= Grid point 201 (37/68) ======================= q-point: (-0.36 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -9.268 11.449 5.031) 15.566 2.331 ( 9.286 14.203 14.114) 22.072 2.548 ( 8.122 0.012 -1.436) 8.248 2.819 ( -16.482 4.453 -5.621) 17.975 3.081 ( 2.061 -3.914 1.576) 4.696 3.257 ( -0.680 -1.746 -1.658) 2.502 3.517 ( 6.138 1.004 5.776) 8.488 3.688 ( -0.630 -9.057 -10.929) 14.208 3.785 ( -0.029 -6.589 5.383) 8.508 3.898 ( -2.344 -5.725 -0.786) 6.236 4.333 ( -5.962 13.637 -14.978) 21.115 4.743 ( 7.458 -9.237 -7.255) 13.913 5.061 ( -11.423 -15.681 8.256) 21.084 5.252 ( -3.440 -8.337 2.834) 9.453 5.539 ( -7.773 3.708 5.626) 10.287 5.687 ( 0.941 7.041 -1.878) 7.348 5.891 ( 0.623 5.831 0.931) 5.938 6.152 ( 5.821 -2.467 1.146) 6.425 6.291 ( 9.169 3.669 3.956) 10.639 6.619 ( 14.788 4.513 -4.677) 16.153 6.833 ( -1.817 8.262 6.458) 10.643 7.323 ( 2.567 -5.348 -5.814) 8.306 7.466 ( 2.343 -1.279 -8.167) 8.592 7.641 ( -6.732 6.350 3.246) 9.807 7.798 ( -9.796 9.108 5.301) 14.388 7.960 ( -6.457 -4.120 -5.215) 9.266 8.222 ( -0.543 4.254 3.249) 5.380 8.342 ( -0.868 -7.988 -6.460) 10.309 8.387 ( 5.210 2.460 -0.715) 5.806 8.645 ( 3.132 0.784 -1.446) 3.538 8.753 ( -1.120 -5.042 5.874) 7.821 9.106 ( 1.775 -6.022 0.531) 6.301 9.209 ( 10.418 -7.020 5.877) 13.869 9.475 ( 0.450 1.692 -1.242) 2.147 9.632 ( 4.794 -2.613 2.566) 6.033 9.954 ( -1.257 -3.739 -4.732) 6.160 11.081 ( 0.346 2.772 3.111) 4.181 11.174 ( 0.566 5.818 1.532) 6.043 11.249 ( 1.013 3.072 3.123) 4.497 11.793 ( -9.779 1.125 -2.107) 10.066 11.997 ( -3.740 0.826 -5.046) 6.335 12.186 ( 1.324 3.820 -1.673) 4.375 12.282 ( -10.993 -1.180 -0.187) 11.057 12.615 ( 0.876 -1.837 -6.758) 7.058 12.972 ( -3.085 -4.497 0.540) 5.480 13.354 ( -3.504 12.314 10.098) 16.306 13.976 ( -0.292 -0.520 0.911) 1.089 14.317 ( 11.562 -3.400 -2.968) 12.412 14.558 ( -1.643 1.740 -2.376) 3.372 14.583 ( 0.903 2.272 -2.331) 3.378 15.079 ( 3.150 -15.503 8.338) 17.882 15.989 ( 2.538 3.526 -0.144) 4.347 16.389 ( -3.745 0.325 -0.817) 3.847 16.658 ( 6.459 -4.070 -3.786) 8.522 ======================= Grid point 202 (38/68) ======================= q-point: (-0.27 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -1.103 18.630 -0.903) 18.685 2.406 ( -19.796 6.502 -6.642) 21.869 2.653 ( -2.478 13.559 3.953) 14.339 2.746 ( 7.656 7.516 -0.012) 10.729 3.114 ( -11.388 -0.067 5.400) 12.603 3.136 ( 5.443 -4.465 -1.814) 7.270 3.621 ( 3.709 -4.240 -6.849) 8.868 3.632 ( 2.171 -5.011 -5.281) 7.597 3.769 ( -0.042 -5.411 -3.690) 6.550 3.882 ( 18.520 -10.362 14.700) 25.816 4.295 ( -7.417 -5.540 -9.330) 13.144 4.605 ( -9.689 0.259 8.058) 12.605 4.882 ( 9.351 -16.229 -1.141) 18.765 5.162 ( -0.007 -3.706 -2.539) 4.493 5.425 ( -8.575 6.826 11.183) 15.659 5.738 ( 0.187 2.088 -3.894) 4.422 5.993 ( 0.938 5.541 -3.853) 6.814 6.191 ( 4.248 -6.362 4.954) 9.114 6.438 ( 3.128 1.921 1.940) 4.152 6.764 ( -5.376 12.689 5.467) 14.826 7.037 ( 12.446 -1.418 -9.527) 15.738 7.359 ( 3.690 1.562 -9.306) 10.133 7.505 ( 1.454 0.189 -6.860) 7.015 7.598 ( -7.368 8.295 2.819) 11.448 7.724 ( -9.898 11.275 3.713) 15.456 7.766 ( -7.700 -1.482 2.500) 8.231 8.173 ( -0.839 -5.411 3.304) 6.395 8.311 ( -0.292 0.400 -1.564) 1.640 8.496 ( 5.526 -2.461 5.183) 7.966 8.664 ( -1.554 -2.247 0.466) 2.771 8.781 ( 9.817 -2.317 -2.828) 10.476 9.021 ( -4.403 -5.008 -3.296) 7.438 9.300 ( 10.960 -14.025 9.429) 20.143 9.534 ( 3.821 1.793 -3.258) 5.332 9.653 ( 1.054 -4.227 -1.752) 4.696 9.882 ( -0.008 -5.566 0.233) 5.571 11.088 ( -0.381 -0.429 -1.678) 1.774 11.260 ( 0.675 8.567 1.701) 8.760 11.364 ( -0.127 10.462 2.798) 10.831 11.627 ( -9.760 3.695 3.033) 10.868 11.958 ( -3.293 3.887 -7.311) 8.911 12.076 ( -7.546 -0.426 5.298) 9.230 12.236 ( 1.965 -1.219 -6.736) 7.122 12.593 ( -0.330 -2.408 -0.539) 2.489 12.923 ( 0.194 -1.190 -5.223) 5.360 13.373 ( -7.974 13.404 10.232) 18.653 13.972 ( 1.373 -2.449 2.277) 3.614 14.473 ( 6.445 -0.315 2.583) 6.950 14.549 ( -2.039 3.139 -1.932) 4.212 14.610 ( 0.027 0.315 -6.517) 6.525 14.994 ( 8.688 -20.359 3.133) 22.356 16.066 ( 0.867 4.108 -0.076) 4.199 16.323 ( -2.355 -0.980 0.578) 2.615 16.713 ( 5.422 -6.452 -3.007) 8.948 ======================= Grid point 211 (39/68) ======================= q-point: (-0.45 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 2.809 4.865 3.726) 6.741 2.282 ( 7.123 12.337 20.540) 24.997 2.380 ( 3.906 6.765 1.425) 7.941 2.974 ( 2.596 4.496 6.018) 7.948 3.130 ( -0.690 -1.195 -9.682) 9.780 3.191 ( -2.239 -3.878 -0.568) 4.514 3.474 ( -0.671 -1.163 9.158) 9.256 3.603 ( -4.936 -8.550 -16.490) 19.219 3.764 ( -3.820 -6.616 1.852) 7.861 3.927 ( -3.184 -5.514 0.245) 6.372 4.521 ( 4.929 8.537 -10.699) 14.548 4.566 ( -2.657 -4.602 -11.991) 13.116 5.049 ( -12.916 -22.372 7.830) 26.993 5.271 ( -2.660 -4.607 -1.422) 5.506 5.643 ( -0.036 -0.062 2.758) 2.759 5.713 ( 2.782 4.819 0.259) 5.571 5.934 ( -0.680 -1.178 8.236) 8.348 6.092 ( 0.141 0.245 -2.203) 2.221 6.232 ( 7.079 12.262 1.136) 14.204 6.434 ( 8.896 15.409 -3.796) 18.193 6.930 ( 2.388 4.137 6.642) 8.182 7.266 ( -1.581 -2.738 -5.914) 6.706 7.427 ( -0.224 -0.387 -6.889) 6.904 7.739 ( 0.826 1.431 2.909) 3.345 7.963 ( 1.954 3.385 5.808) 7.001 7.992 ( -0.834 -1.445 -4.577) 4.871 8.246 ( -1.156 -2.002 5.680) 6.132 8.311 ( -2.742 -4.750 -9.017) 10.554 8.358 ( 2.320 4.018 -1.164) 4.784 8.613 ( 0.495 0.858 -0.671) 1.197 8.757 ( -2.629 -4.554 10.029) 11.324 8.973 ( -1.319 -2.284 5.003) 5.655 9.120 ( -1.168 -2.022 -2.221) 3.223 9.502 ( -1.831 -3.172 -6.571) 7.523 9.554 ( 3.050 5.283 8.230) 10.245 9.945 ( -2.147 -3.718 -7.006) 8.217 11.096 ( 0.710 1.230 3.340) 3.629 11.205 ( 5.101 8.835 3.149) 10.677 11.250 ( -0.012 -0.021 3.373) 3.373 11.890 ( -2.220 -3.846 -0.856) 4.522 12.032 ( -0.476 -0.824 -4.150) 4.257 12.184 ( 1.329 2.302 -2.902) 3.935 12.473 ( -1.007 -1.744 0.056) 2.014 12.518 ( -3.539 -6.130 -10.019) 12.267 12.973 ( -3.019 -5.229 1.043) 6.127 13.466 ( 6.224 10.780 12.940) 17.955 14.056 ( -1.479 -2.561 -2.220) 3.698 14.070 ( 1.048 1.816 -3.076) 3.723 14.586 ( 1.672 2.895 0.477) 3.377 14.587 ( 0.252 0.436 -5.238) 5.262 14.988 ( -5.353 -9.272 9.743) 14.476 15.983 ( 2.315 4.010 0.126) 4.632 16.460 ( -0.334 -0.578 -2.849) 2.926 16.542 ( -0.600 -1.039 -2.332) 2.622 ======================= Grid point 213 (40/68) ======================= q-point: (-0.36 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -4.225 14.441 1.838) 15.158 2.528 ( 10.025 0.775 2.637) 10.395 2.709 ( 10.304 18.314 7.568) 22.334 2.925 ( -16.674 6.296 -5.041) 18.522 3.096 ( -1.078 5.252 0.066) 5.362 3.243 ( 8.142 0.053 0.100) 8.143 3.419 ( 4.780 -10.994 -0.612) 12.004 3.524 ( 1.752 -4.353 -5.043) 6.888 3.611 ( -3.700 -8.284 0.767) 9.106 3.767 ( -4.316 -8.623 0.395) 9.650 4.368 ( -12.902 -11.684 -1.835) 17.503 4.569 ( -1.149 -24.270 6.512) 25.154 4.759 ( 4.389 11.147 -3.373) 12.446 5.206 ( -4.866 1.709 -6.590) 8.368 5.596 ( -4.845 1.342 3.636) 6.204 5.684 ( 1.049 -7.809 2.914) 8.400 6.016 ( 3.121 6.200 1.612) 7.125 6.112 ( 0.813 0.388 -2.176) 2.355 6.457 ( 3.075 9.678 -2.716) 10.512 6.732 ( 10.612 2.271 -10.702) 15.242 7.028 ( -0.130 10.556 9.689) 14.329 7.297 ( 4.854 4.112 -4.915) 8.039 7.451 ( 2.621 0.187 -5.657) 6.238 7.755 ( -4.277 2.292 0.081) 4.853 7.912 ( -5.228 1.962 2.706) 6.205 7.997 ( -6.016 7.848 10.336) 14.304 8.106 ( -0.271 -8.945 -2.054) 9.181 8.327 ( -0.019 0.614 -2.067) 2.157 8.396 ( 1.558 -1.632 4.252) 4.814 8.623 ( -0.207 -5.986 3.564) 6.970 8.678 ( 1.332 0.551 0.292) 1.471 8.976 ( 5.592 -7.563 5.260) 10.776 9.101 ( -0.971 1.388 -3.332) 3.738 9.448 ( 2.260 -3.866 -6.832) 8.169 9.637 ( 0.692 1.922 4.252) 4.717 9.830 ( -2.757 -8.474 -5.608) 10.529 11.090 ( -0.761 -1.126 -2.157) 2.550 11.326 ( 2.550 8.762 6.436) 11.167 11.435 ( 6.264 13.606 4.074) 15.523 11.782 ( -5.764 -2.327 3.749) 7.259 12.030 ( -0.878 2.232 -6.770) 7.183 12.194 ( -0.163 -1.685 -7.415) 7.606 12.265 ( -13.313 -1.001 2.262) 13.541 12.490 ( 4.431 -10.031 -0.574) 10.981 12.909 ( -0.481 -1.704 -4.576) 4.907 13.615 ( -2.684 11.987 11.483) 16.815 13.959 ( -3.456 -1.056 -0.588) 3.661 14.203 ( 13.102 -7.059 0.906) 14.910 14.598 ( -0.362 1.861 -7.941) 8.164 14.638 ( -0.071 2.843 -0.121) 2.846 14.817 ( -2.533 -9.224 4.652) 10.637 16.080 ( 2.837 5.233 0.595) 5.982 16.393 ( -5.555 0.085 -1.035) 5.651 16.552 ( 4.691 -6.001 -2.074) 7.894 ======================= Grid point 214 (41/68) ======================= q-point: (-0.27 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -5.431 9.408 -0.132) 10.864 2.583 ( -3.938 6.821 -4.936) 9.295 2.774 ( -4.388 7.600 -1.450) 8.894 2.998 ( -5.849 10.131 -1.039) 11.744 3.106 ( -0.997 1.727 -3.574) 4.092 3.251 ( -7.203 12.477 12.738) 19.231 3.413 ( 6.884 -11.923 -14.015) 19.646 3.524 ( 2.925 -5.066 -1.631) 6.072 3.651 ( 7.562 -13.098 9.586) 17.906 3.655 ( 4.820 -8.348 -1.430) 9.745 4.028 ( 5.086 -8.809 10.092) 14.329 4.460 ( 8.838 -15.307 4.148) 18.156 4.929 ( -7.857 13.608 -6.698) 17.081 5.116 ( -0.584 1.011 -2.903) 3.129 5.563 ( -2.884 4.996 1.655) 6.001 5.649 ( 5.848 -10.129 0.737) 11.719 6.088 ( -1.962 3.399 -2.124) 4.462 6.116 ( 0.174 -0.301 0.967) 1.028 6.530 ( -3.181 5.509 -5.169) 8.196 6.833 ( 4.186 -7.250 -13.766) 16.111 7.098 ( -5.900 10.220 10.574) 15.845 7.408 ( 0.210 -0.363 -10.125) 10.134 7.548 ( -1.518 2.629 -3.506) 4.637 7.598 ( -0.330 0.572 3.158) 3.226 7.941 ( -6.354 11.006 12.711) 17.974 7.952 ( -5.627 9.747 3.480) 11.781 8.037 ( 3.880 -6.720 3.070) 8.345 8.321 ( 0.029 -0.050 -1.390) 1.391 8.408 ( 2.787 -4.828 10.435) 11.831 8.574 ( 3.699 -6.407 -4.104) 8.461 8.722 ( 1.290 -2.235 -0.330) 2.601 8.985 ( 6.036 -10.454 4.091) 12.746 9.087 ( -3.614 6.259 -4.335) 8.428 9.527 ( 3.202 -5.546 -4.605) 7.888 9.582 ( -0.013 0.022 -5.038) 5.038 9.756 ( 3.554 -6.155 1.042) 7.184 11.075 ( 0.313 -0.542 -2.020) 2.114 11.426 ( -4.041 7.000 4.527) 9.264 11.613 ( -6.639 11.498 3.383) 13.701 11.688 ( -0.953 1.652 7.064) 7.316 12.038 ( -2.026 3.509 -8.126) 9.080 12.076 ( -1.189 2.059 1.950) 3.075 12.195 ( 1.306 -2.263 -6.355) 6.871 12.472 ( 5.357 -9.278 2.105) 10.918 12.900 ( 0.577 -0.999 -6.089) 6.197 13.646 ( -7.256 12.568 9.194) 17.179 13.924 ( 1.030 -1.784 0.656) 2.162 14.312 ( 8.424 -14.590 6.603) 18.095 14.613 ( -0.688 1.192 -13.390) 13.461 14.625 ( -1.945 3.369 1.084) 4.038 14.747 ( 2.481 -4.298 2.284) 5.463 16.154 ( -2.163 3.747 0.084) 4.328 16.321 ( -0.819 1.418 0.159) 1.645 16.564 ( 4.373 -7.574 -1.813) 8.931 ======================= Grid point 225 (42/68) ======================= q-point: (-0.36 0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 2.425 4.200 0.612) 4.889 2.561 ( 1.886 3.267 -2.571) 4.565 3.054 ( 5.805 10.055 -2.407) 11.858 3.107 ( 2.143 3.712 -7.649) 8.768 3.111 ( 4.182 7.243 -6.641) 10.680 3.275 ( -2.583 -4.475 -3.386) 6.177 3.375 ( 5.523 9.566 9.345) 14.469 3.377 ( -4.713 -8.163 0.203) 9.427 3.493 ( -2.466 -4.272 -6.241) 7.955 3.569 ( -2.261 -3.915 9.645) 10.652 3.967 ( -12.987 -22.495 18.628) 31.964 4.260 ( -3.224 -5.584 0.682) 6.484 5.040 ( 8.300 14.376 -2.776) 16.830 5.255 ( -0.458 -0.793 -6.399) 6.464 5.443 ( -6.018 -10.423 5.008) 13.036 5.617 ( 0.024 0.041 -5.946) 5.946 6.118 ( 1.643 2.846 -0.213) 3.293 6.133 ( 0.410 0.710 -2.395) 2.532 6.614 ( 2.672 4.628 -9.228) 10.664 6.713 ( -1.194 -2.068 -12.870) 13.090 7.236 ( 4.396 7.615 9.323) 12.815 7.392 ( 0.979 1.696 -8.359) 8.586 7.518 ( 4.143 7.175 3.322) 8.926 7.687 ( -4.157 -7.200 3.154) 8.892 7.937 ( -2.620 -4.538 1.442) 5.435 8.040 ( 4.347 7.530 11.696) 14.574 8.121 ( 0.697 1.207 10.806) 10.896 8.318 ( -2.752 -4.766 9.013) 10.561 8.338 ( 1.359 2.353 -2.968) 4.024 8.476 ( -3.815 -6.607 -2.379) 7.991 8.713 ( 1.432 2.481 -0.130) 2.868 8.828 ( -3.215 -5.568 1.604) 6.626 9.272 ( 6.169 10.685 -6.042) 13.738 9.377 ( -0.148 -0.257 -6.610) 6.616 9.602 ( -7.146 -12.377 -7.261) 16.031 9.673 ( 0.306 0.530 2.780) 2.847 11.069 ( -0.342 -0.593 -1.963) 2.079 11.512 ( 4.762 8.247 7.317) 12.009 11.694 ( -2.759 -4.779 7.495) 9.307 11.746 ( 7.549 13.075 2.964) 15.385 12.081 ( 1.351 2.341 -8.347) 8.774 12.149 ( -1.602 -2.775 -9.625) 10.144 12.224 ( -4.076 -7.060 3.022) 8.694 12.255 ( -3.267 -5.658 4.203) 7.769 12.888 ( -0.280 -0.485 -6.265) 6.290 13.823 ( 4.374 7.576 6.789) 11.073 13.929 ( -1.295 -2.243 -1.400) 2.944 14.071 ( -2.540 -4.399 10.300) 11.485 14.627 ( 0.488 0.845 -12.359) 12.398 14.684 ( 0.480 0.832 0.683) 1.179 14.695 ( -1.427 -2.471 0.930) 3.001 16.194 ( 2.850 4.936 0.421) 5.715 16.383 ( -1.033 -1.789 -0.627) 2.159 16.436 ( -2.021 -3.500 -0.975) 4.157 ======================= Grid point 266 (43/68) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.000 -0.000 32.072) 32.072 1.444 ( 0.000 0.000 32.072) 32.072 2.035 ( 0.000 0.000 42.419) 42.419 2.050 ( 0.000 -0.000 -26.427) 26.427 2.050 ( 0.000 0.000 -26.427) 26.427 2.784 ( 0.000 0.000 -29.665) 29.665 3.939 ( 0.000 -0.000 13.702) 13.702 3.939 ( 0.000 0.000 13.702) 13.702 4.219 ( 0.000 -0.000 -13.175) 13.175 4.219 ( -0.000 0.000 -13.175) 13.175 4.924 ( -0.000 0.000 20.152) 20.152 5.051 ( 0.000 -0.000 7.185) 7.185 5.051 ( -0.000 0.000 7.185) 7.185 5.213 ( 0.000 -0.000 -8.477) 8.477 5.213 ( 0.000 0.000 -8.477) 8.477 5.433 ( 0.000 -0.000 -28.816) 28.816 6.196 ( 0.000 0.000 2.279) 2.279 6.253 ( 0.000 0.000 -3.013) 3.013 6.788 ( 0.000 -0.000 14.535) 14.535 6.788 ( 0.000 0.000 14.535) 14.535 7.055 ( 0.000 -0.000 -10.672) 10.672 7.055 ( 0.000 0.000 -10.672) 10.672 7.162 ( 0.000 -0.000 7.572) 7.572 7.317 ( 0.000 0.000 -6.896) 6.896 7.896 ( 0.000 -0.000 0.930) 0.930 7.896 ( 0.000 0.000 0.930) 0.930 7.933 ( 0.000 -0.000 -2.180) 2.180 7.933 ( 0.000 -0.000 -2.180) 2.180 8.439 ( 0.000 -0.000 30.653) 30.653 9.034 ( 0.000 0.000 -27.090) 27.090 9.663 ( 0.000 -0.000 3.162) 3.162 9.663 ( 0.000 0.000 3.162) 3.162 9.728 ( 0.000 -0.000 -3.017) 3.017 9.728 ( -0.000 0.000 -3.017) 3.017 10.674 ( -0.000 0.000 11.328) 11.328 10.815 ( 0.000 -0.000 -2.037) 2.037 10.826 ( 0.000 0.000 1.365) 1.365 10.906 ( 0.000 0.000 -6.626) 6.626 11.073 ( 0.000 -0.000 0.865) 0.865 11.073 ( 0.000 -0.000 0.865) 0.865 11.088 ( 0.000 0.000 -0.506) 0.506 11.088 ( 0.000 -0.000 -0.506) 0.506 12.093 ( 0.000 -0.000 1.802) 1.802 12.093 ( 0.000 0.000 1.802) 1.802 12.133 ( 0.000 -0.000 -1.941) 1.941 12.133 ( 0.000 0.000 -1.941) 1.941 14.378 ( 0.000 -0.000 1.521) 1.521 14.378 ( 0.000 0.000 1.521) 1.521 14.410 ( 0.000 -0.000 -1.505) 1.505 14.410 ( -0.000 0.000 -1.505) 1.505 16.092 ( 0.000 0.000 4.757) 4.757 16.204 ( 0.000 -0.000 -5.842) 5.842 17.253 ( -0.000 0.000 5.573) 5.573 17.359 ( 0.000 -0.000 -4.484) 4.484 ======================= Grid point 267 (44/68) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 1.684 -4.000 28.945) 29.269 1.636 ( -3.839 21.085 32.363) 38.816 1.853 ( -7.092 -0.112 -27.633) 28.529 2.246 ( 11.110 -5.898 -25.920) 28.811 2.355 ( 26.870 2.561 30.121) 40.446 2.891 ( 5.726 9.717 -20.847) 23.702 3.858 ( -7.263 -3.138 11.918) 14.305 3.899 ( -4.559 -0.481 11.000) 11.917 4.075 ( -7.540 -5.483 -7.932) 12.241 4.200 ( -1.796 -5.941 -14.453) 15.730 4.668 ( -10.311 3.924 16.636) 19.962 4.969 ( -5.988 -9.630 -11.258) 15.980 5.093 ( 5.888 -2.763 5.344) 8.418 5.213 ( 0.561 1.412 -5.534) 5.739 5.425 ( 15.458 6.204 6.582) 17.909 5.693 ( 7.352 8.350 -17.211) 20.494 6.255 ( 2.999 0.306 0.319) 3.032 6.269 ( -0.306 4.656 0.119) 4.668 6.578 ( -3.577 -11.616 8.163) 14.641 6.761 ( -19.114 -2.661 -8.018) 20.898 6.832 ( -7.226 10.020 10.185) 16.011 7.024 ( 2.112 -13.623 -7.682) 15.782 7.204 ( 4.669 -3.681 11.317) 12.783 7.436 ( 1.778 8.355 -10.222) 13.322 7.897 ( 4.243 -4.614 0.630) 6.300 7.920 ( -2.283 2.394 -1.107) 3.488 8.039 ( 9.480 0.475 1.235) 9.572 8.087 ( 7.923 13.219 -3.875) 15.891 8.419 ( -1.688 -0.259 24.832) 24.891 8.874 ( -10.641 -8.706 -18.307) 22.895 9.495 ( -12.554 -2.422 1.045) 12.829 9.517 ( -8.120 -8.591 -1.464) 11.911 9.687 ( 0.496 -3.607 1.952) 4.131 9.727 ( -4.117 2.809 -1.700) 5.266 10.560 ( -12.445 -5.882 1.169) 13.814 10.563 ( -13.351 -7.872 0.389) 15.504 10.812 ( 8.710 1.256 7.400) 11.498 10.962 ( 2.990 4.444 -6.169) 8.170 11.077 ( -1.737 4.266 0.686) 4.656 11.098 ( 3.444 -2.389 -1.048) 4.321 11.329 ( 16.634 -1.619 2.054) 16.839 11.361 ( 10.114 12.884 -1.093) 16.416 12.142 ( 2.920 2.530 1.192) 4.043 12.171 ( 3.783 2.086 -1.707) 4.645 12.271 ( 12.047 5.046 2.597) 13.316 12.369 ( 16.339 14.121 -7.871) 22.985 14.341 ( -2.939 0.908 2.345) 3.868 14.385 ( -0.192 -1.268 -2.005) 2.380 14.409 ( 2.005 -0.543 1.985) 2.873 14.445 ( 1.491 0.902 -1.337) 2.197 16.092 ( -0.377 -0.371 4.370) 4.402 16.196 ( -0.952 -0.528 -5.553) 5.659 17.096 ( -12.687 -6.035 5.534) 15.100 17.192 ( -10.960 -8.287 -3.423) 14.160 ======================= Grid point 268 (45/68) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 15.556 13.536 11.144) 23.439 1.802 ( -1.953 21.930 25.457) 33.657 1.836 ( 3.077 4.961 -19.912) 20.750 2.334 ( 10.345 -12.297 -23.684) 28.621 2.859 ( 25.607 -1.015 16.820) 30.654 3.123 ( 4.319 14.023 -7.470) 16.465 3.683 ( -5.763 -3.433 4.537) 8.098 3.755 ( -9.806 -0.818 1.894) 10.021 3.890 ( -6.882 -5.193 0.326) 8.628 4.061 ( -4.087 -9.089 -11.242) 15.023 4.673 ( 2.533 7.313 14.621) 16.543 4.878 ( 1.886 -3.651 -3.393) 5.329 5.186 ( 3.855 2.057 1.717) 4.695 5.236 ( 2.975 -4.222 -3.634) 6.315 5.607 ( -1.760 -4.816 1.600) 5.371 5.640 ( -10.098 -5.145 1.086) 11.385 6.273 ( -5.765 10.612 0.767) 12.101 6.279 ( -2.710 -1.823 -2.955) 4.404 6.500 ( 0.125 -3.233 -0.468) 3.269 6.550 ( 1.208 2.465 -6.279) 6.853 6.881 ( 2.251 6.407 2.783) 7.339 6.952 ( 4.927 -4.740 -3.636) 7.744 7.203 ( 1.310 -4.957 12.737) 13.730 7.467 ( -4.885 3.820 -11.839) 13.365 7.870 ( -6.200 3.035 5.127) 8.599 7.940 ( 5.373 -6.032 -2.463) 8.445 8.177 ( 2.366 -0.846 7.559) 7.965 8.339 ( 3.346 11.615 -6.368) 13.662 8.420 ( 3.332 1.393 8.780) 9.494 8.581 ( -7.481 -12.317 -7.490) 16.241 9.235 ( -8.999 -6.405 3.091) 11.469 9.330 ( -7.808 -1.609 -5.340) 9.595 9.631 ( -5.294 1.808 1.606) 5.820 9.666 ( -0.893 -5.609 -1.525) 5.880 10.271 ( -10.219 -7.230 1.553) 12.614 10.289 ( -12.047 -3.902 0.333) 12.668 10.980 ( 7.677 0.819 3.092) 8.317 11.032 ( 0.925 2.623 -1.519) 3.169 11.099 ( 1.837 1.669 2.646) 3.628 11.186 ( 4.851 4.247 -4.620) 7.932 11.585 ( 15.090 -3.149 2.304) 15.586 11.633 ( 6.043 12.092 -2.110) 13.682 12.231 ( 4.201 1.422 1.954) 4.847 12.282 ( 4.318 4.417 -2.841) 6.799 12.598 ( 17.488 2.994 7.594) 19.299 12.788 ( 10.165 16.534 -11.103) 22.361 14.289 ( -3.952 0.810 5.336) 6.690 14.372 ( 0.431 -1.955 -3.143) 3.727 14.441 ( 2.067 -0.210 1.867) 2.793 14.479 ( 1.404 0.472 -1.442) 2.068 16.046 ( -3.167 -3.116 3.186) 5.466 16.129 ( -5.969 -2.797 -4.890) 8.208 16.758 ( -15.616 -4.956 7.721) 18.111 16.906 ( -8.606 -9.841 -6.488) 14.595 ======================= Grid point 269 (46/68) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 8.226 15.988 12.257) 21.761 2.026 ( 14.826 1.395 -3.862) 15.384 2.103 ( 10.062 25.600 1.178) 27.532 2.383 ( 7.628 -9.529 -16.204) 20.287 3.189 ( 10.158 1.227 5.633) 11.680 3.304 ( 4.599 5.797 -3.355) 8.125 3.574 ( -4.259 -0.196 4.806) 6.424 3.662 ( 0.404 -0.049 -0.946) 1.030 3.710 ( -4.589 -6.069 1.828) 7.825 3.886 ( -5.971 -6.870 -10.881) 14.186 4.676 ( -12.136 -5.696 16.236) 21.056 4.928 ( 3.409 0.349 -2.646) 4.329 5.169 ( -6.094 -2.983 0.468) 6.801 5.241 ( 5.587 -3.554 -2.324) 7.018 5.434 ( -0.178 -1.765 2.458) 3.031 5.503 ( -1.418 0.411 -4.673) 4.901 6.158 ( -12.584 4.829 6.202) 14.838 6.261 ( -1.708 -7.400 -3.182) 8.234 6.495 ( 3.800 0.127 5.464) 6.657 6.673 ( 1.405 5.669 -8.898) 10.643 6.864 ( -2.172 -4.403 10.792) 11.856 7.135 ( 6.088 2.812 -12.300) 14.009 7.295 ( 10.974 6.586 5.721) 14.019 7.435 ( 1.950 4.821 -7.055) 8.765 7.752 ( -10.367 3.103 10.952) 15.397 7.942 ( 2.080 -8.426 -6.555) 10.876 8.131 ( -4.597 2.154 4.731) 6.939 8.299 ( -5.034 -9.654 -10.551) 15.162 8.484 ( 2.512 1.110 3.411) 4.379 8.546 ( 3.390 2.690 -1.657) 4.634 9.060 ( -5.300 -2.962 6.234) 8.703 9.196 ( -4.794 -2.757 -6.126) 8.253 9.547 ( -6.232 2.066 2.221) 6.931 9.576 ( -1.036 -8.422 -0.226) 8.489 10.032 ( -9.758 -5.909 2.329) 11.643 10.063 ( -8.671 -2.547 -0.496) 9.051 11.065 ( 1.622 0.670 0.899) 1.972 11.073 ( 2.077 1.430 -0.183) 2.528 11.212 ( 5.524 4.728 5.533) 9.137 11.347 ( 7.993 4.725 -6.842) 11.533 11.800 ( 9.485 1.775 1.094) 9.711 11.844 ( 7.358 5.868 -2.781) 9.813 12.307 ( 2.370 1.330 3.701) 4.592 12.395 ( 3.340 3.189 -4.754) 6.627 12.907 ( 14.761 0.035 7.771) 16.682 13.064 ( 3.971 13.409 -7.192) 15.725 14.207 ( -5.143 -1.256 8.084) 9.663 14.344 ( -0.792 -4.007 -5.024) 6.475 14.480 ( 1.517 1.415 0.623) 2.166 14.503 ( 1.153 -0.084 -1.432) 1.840 15.892 ( -13.339 -3.854 1.973) 14.024 15.939 ( -4.365 -5.773 -2.219) 7.570 16.521 ( -7.642 -0.322 8.011) 11.076 16.701 ( -4.474 -7.697 -9.022) 12.675 ======================= Grid point 270 (47/68) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 3.925 10.276 13.267) 17.234 2.325 ( 16.279 -0.337 9.002) 18.606 2.398 ( 2.197 -4.942 -8.175) 9.802 2.574 ( 12.110 18.653 -10.277) 24.499 3.291 ( -0.702 4.709 2.561) 5.406 3.357 ( -4.248 2.226 2.327) 5.331 3.499 ( -1.605 -4.043 -0.296) 4.360 3.663 ( 0.788 -0.408 -1.436) 1.688 3.740 ( 5.578 -5.531 -7.411) 10.799 3.783 ( 6.222 1.574 -3.155) 7.151 4.312 ( -16.802 -4.366 14.847) 22.843 4.654 ( -15.782 -11.083 -16.758) 25.549 5.302 ( 6.879 9.728 6.229) 13.444 5.342 ( 10.511 -8.853 0.837) 13.768 5.491 ( 6.931 -3.869 2.028) 8.192 5.547 ( -2.699 10.162 -3.030) 10.943 5.996 ( -5.664 -0.956 5.600) 8.022 6.103 ( -5.547 -3.738 -4.480) 8.051 6.435 ( -6.470 -10.021 7.528) 14.105 6.606 ( -12.496 -0.391 -8.009) 14.848 6.884 ( 7.387 1.924 14.424) 16.320 7.219 ( 2.138 4.280 -16.255) 16.945 7.563 ( -6.163 3.733 10.901) 13.067 7.619 ( 7.934 7.074 4.549) 11.562 7.676 ( 10.564 6.962 -1.105) 12.700 7.832 ( -2.373 -8.329 -12.350) 15.084 8.112 ( 2.812 -2.728 1.889) 4.349 8.195 ( -0.068 0.246 -5.941) 5.946 8.504 ( -0.956 0.434 3.878) 4.018 8.590 ( -0.517 0.837 -3.597) 3.729 8.973 ( -2.877 0.184 6.962) 7.536 9.108 ( -1.672 -2.242 -5.814) 6.452 9.415 ( -4.457 -9.946 4.927) 11.961 9.482 ( -5.418 1.534 -1.129) 5.743 9.808 ( -7.993 -5.667 5.282) 11.131 9.916 ( -5.497 -1.739 -4.690) 7.432 11.098 ( 2.714 -1.776 1.990) 3.805 11.124 ( 0.564 3.643 -0.462) 3.715 11.349 ( 3.831 4.979 8.929) 10.918 11.557 ( 9.138 4.475 -10.336) 14.504 11.959 ( 4.677 4.366 1.325) 6.534 12.009 ( 6.876 0.572 -2.947) 7.503 12.344 ( 1.083 0.565 3.770) 3.963 12.454 ( 0.243 1.765 -6.819) 7.048 13.127 ( 9.230 1.203 6.521) 11.365 13.229 ( 3.323 6.676 -2.704) 7.932 14.085 ( -5.319 -3.121 7.081) 9.390 14.238 ( -5.255 -6.287 -7.038) 10.802 14.520 ( 0.644 2.424 -0.476) 2.553 14.522 ( 1.410 -0.704 -0.601) 1.687 15.632 ( -12.670 2.850 11.378) 17.266 15.836 ( 0.268 -7.300 -7.649) 10.577 16.436 ( -2.943 0.605 4.726) 5.601 16.569 ( -3.073 -5.343 -7.588) 9.776 ======================= Grid point 271 (48/68) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 3.477 2.653 6.398) 7.750 2.361 ( -0.920 -2.771 0.700) 3.002 2.559 ( 9.385 -2.057 17.380) 19.858 2.875 ( 6.816 8.716 -9.772) 14.762 3.158 ( -7.630 -7.719 7.383) 13.127 3.373 ( -3.059 10.073 -0.232) 10.530 3.442 ( -5.795 3.458 -0.720) 6.787 3.646 ( 4.505 -3.545 -4.293) 7.162 3.903 ( 4.491 1.092 -1.638) 4.904 3.930 ( 7.618 1.072 -4.508) 8.916 4.086 ( -5.450 2.942 2.910) 6.843 4.315 ( -8.404 -10.167 -16.291) 20.962 5.388 ( 5.630 -9.056 4.591) 11.610 5.451 ( -2.743 10.954 -0.397) 11.299 5.558 ( 0.600 0.567 0.866) 1.197 5.573 ( 2.541 -2.408 -0.916) 3.619 5.990 ( 8.447 -5.417 4.529) 11.010 6.072 ( -0.871 8.477 -2.932) 9.012 6.193 ( -5.929 -9.796 6.371) 13.104 6.327 ( -14.026 -1.388 -5.805) 15.244 7.026 ( 5.024 -0.316 11.301) 12.371 7.276 ( -1.092 3.985 -11.638) 12.350 7.446 ( -7.595 6.290 9.983) 14.033 7.698 ( 1.736 -7.305 -11.675) 13.882 7.835 ( 3.040 3.395 1.923) 4.946 7.900 ( 5.083 2.292 -2.908) 6.288 8.183 ( 8.043 -4.802 2.397) 9.669 8.239 ( 0.288 3.080 -2.203) 3.798 8.480 ( -3.119 3.526 3.555) 5.899 8.567 ( -1.187 -0.512 -3.686) 3.906 8.972 ( 1.978 1.044 7.271) 7.607 9.097 ( 0.186 1.571 -4.688) 4.947 9.215 ( -6.177 -6.471 9.031) 12.712 9.401 ( -4.446 0.994 -8.269) 9.441 9.660 ( -0.933 -6.006 9.024) 10.880 9.834 ( -2.610 0.315 -7.654) 8.093 11.120 ( 2.950 -3.907 2.209) 5.371 11.160 ( -1.679 4.895 -0.973) 5.265 11.440 ( 1.194 2.942 12.739) 13.129 11.722 ( 4.284 2.007 -13.395) 14.206 12.057 ( 1.566 3.583 1.640) 4.240 12.085 ( 2.722 -2.754 -0.315) 3.885 12.373 ( 3.214 -2.391 -0.259) 4.014 12.446 ( -3.644 3.589 -7.458) 9.043 13.256 ( -2.048 10.441 6.537) 12.488 13.327 ( 8.687 -9.233 0.688) 12.696 13.992 ( -1.307 -1.278 1.893) 2.631 14.067 ( -5.687 -3.903 -4.742) 8.370 14.536 ( 1.494 -1.783 0.035) 2.327 14.547 ( -0.688 2.604 -1.104) 2.910 15.513 ( -7.531 8.113 15.881) 19.358 15.794 ( 3.189 -7.233 -10.279) 12.967 16.414 ( -0.342 0.436 1.290) 1.404 16.482 ( -1.545 -2.659 -4.674) 5.595 ======================= Grid point 278 (49/68) ======================= q-point: ( 0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 10.027 17.366 11.987) 23.362 1.868 ( 1.396 2.419 -22.161) 22.336 2.075 ( 7.629 13.213 15.736) 21.918 2.132 ( 0.454 0.787 -22.279) 22.298 2.494 ( 7.217 12.500 23.142) 27.274 3.160 ( 7.802 13.514 -7.840) 17.463 3.722 ( -4.668 -8.085 4.370) 10.308 3.860 ( -2.588 -4.483 11.777) 12.864 3.978 ( -2.655 -4.598 -4.726) 7.108 3.983 ( -6.887 -11.928 -11.518) 17.955 4.721 ( 0.554 0.959 13.519) 13.564 4.794 ( -2.516 -4.357 -4.525) 6.767 5.168 ( 5.201 9.009 1.280) 10.481 5.193 ( -0.862 -1.494 -0.318) 1.754 5.549 ( 1.576 2.730 4.228) 5.274 5.745 ( -5.559 -9.629 2.979) 11.511 6.240 ( -0.985 -1.706 -12.000) 12.160 6.429 ( 1.738 3.011 -7.578) 8.337 6.475 ( 5.820 10.081 1.972) 11.806 6.612 ( -6.505 -11.268 -2.463) 13.242 6.816 ( -1.153 -1.997 -4.915) 5.429 6.942 ( 0.123 0.213 6.852) 6.857 7.138 ( -0.144 -0.249 11.543) 11.547 7.558 ( 1.145 1.982 -11.352) 11.581 7.828 ( -1.516 -2.626 0.559) 3.083 7.995 ( 1.325 2.294 5.581) 6.178 8.071 ( 2.379 4.121 0.321) 4.769 8.375 ( 7.008 12.139 -5.956) 15.230 8.417 ( 0.235 0.408 18.319) 18.325 8.594 ( -9.169 -15.881 -10.086) 20.929 9.269 ( -6.422 -11.123 -1.436) 12.923 9.465 ( -5.367 -9.295 -2.251) 10.967 9.538 ( -0.954 -1.652 -0.920) 2.118 9.757 ( -1.140 -1.975 0.473) 2.329 10.334 ( -7.060 -12.229 0.796) 14.143 10.386 ( -5.565 -9.639 -0.440) 11.139 10.890 ( 3.663 6.345 4.314) 8.502 11.059 ( 1.662 2.879 -2.083) 3.922 11.079 ( 0.906 1.570 -2.516) 3.101 11.236 ( 3.959 6.857 -2.752) 8.383 11.315 ( 2.591 4.488 6.289) 8.149 11.673 ( 8.031 13.910 0.758) 16.080 12.202 ( 1.824 3.160 -0.789) 3.733 12.257 ( 3.618 6.267 -1.268) 7.347 12.441 ( 6.055 10.488 4.852) 13.046 12.786 ( 12.077 20.918 -13.038) 27.448 14.357 ( -0.772 -1.338 -3.450) 3.780 14.363 ( -1.445 -2.502 6.189) 6.830 14.382 ( 1.070 1.854 0.425) 2.182 14.475 ( 0.903 1.564 -0.192) 1.816 16.058 ( -2.087 -3.616 3.861) 5.687 16.162 ( -1.973 -3.417 -4.876) 6.273 16.885 ( -7.353 -12.735 7.427) 16.474 16.933 ( -8.086 -14.005 -4.995) 16.925 ======================= Grid point 279 (50/68) ======================= q-point: ( 0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 12.272 14.147 -6.315) 19.764 1.988 ( 3.724 13.628 -8.497) 16.486 2.142 ( 9.757 -3.940 -22.073) 24.453 2.341 ( -3.110 25.454 14.984) 29.700 2.853 ( 21.326 1.520 9.540) 23.412 3.380 ( 1.687 9.779 1.101) 9.984 3.597 ( -0.877 -4.603 -1.241) 4.848 3.689 ( -7.139 -5.582 -2.050) 9.292 3.751 ( -6.949 -8.675 7.283) 13.289 3.889 ( -2.468 -6.433 -8.331) 10.811 4.743 ( -1.985 -4.618 10.551) 11.687 4.771 ( 5.569 -1.883 5.217) 7.860 5.186 ( 0.679 1.332 6.519) 6.688 5.331 ( -6.410 5.947 -0.526) 8.760 5.453 ( -8.355 -12.191 5.254) 15.685 5.488 ( 2.136 -2.865 -4.496) 5.743 6.087 ( -2.161 -13.463 -9.485) 16.610 6.456 ( -5.301 0.496 -0.084) 5.325 6.557 ( -6.637 8.559 7.892) 13.401 6.695 ( 8.737 13.126 -14.504) 21.424 6.804 ( 2.302 -6.828 7.439) 10.357 7.014 ( 7.128 4.068 -4.903) 9.560 7.214 ( 6.042 6.743 5.963) 10.841 7.526 ( -4.680 2.069 -11.194) 12.308 7.781 ( 2.010 -7.884 -3.252) 8.762 7.976 ( -7.189 4.198 9.576) 12.689 8.170 ( 3.532 0.119 2.948) 4.602 8.288 ( -6.902 -12.331 -8.706) 16.598 8.446 ( 1.361 2.574 8.596) 9.076 8.561 ( 2.980 6.733 -0.819) 7.408 9.070 ( -3.840 -8.236 0.494) 9.101 9.255 ( -6.903 -6.906 -4.004) 10.554 9.507 ( -0.399 -5.721 -0.208) 5.738 9.668 ( -5.320 -2.112 2.957) 6.443 10.093 ( -7.567 -8.928 0.004) 11.703 10.187 ( -7.255 -5.872 -0.049) 9.334 11.042 ( 4.831 5.079 1.090) 7.094 11.081 ( -0.845 1.811 -0.346) 2.028 11.158 ( 4.983 5.374 -2.886) 7.876 11.334 ( 0.872 8.554 -0.659) 8.624 11.516 ( 13.950 -1.684 2.418) 14.258 11.904 ( 3.590 11.106 0.819) 11.701 12.263 ( 1.438 2.233 -2.024) 3.339 12.402 ( 4.343 6.182 -1.540) 7.710 12.670 ( 10.335 3.787 5.365) 12.245 13.143 ( 6.255 15.801 -9.715) 19.575 14.273 ( -4.460 -3.542 10.033) 11.537 14.324 ( -0.995 -2.792 -4.941) 5.761 14.447 ( 2.898 2.121 -0.415) 3.615 14.503 ( 0.591 1.414 0.207) 1.547 15.930 ( -4.862 -8.212 -0.052) 9.544 16.033 ( -6.690 -6.223 -1.266) 9.224 16.643 ( -7.655 -5.508 9.607) 13.462 16.692 ( -4.765 -9.291 -8.662) 13.567 ======================= Grid point 280 (51/68) ======================= q-point: ( 0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 9.514 5.671 -2.711) 11.402 2.204 ( 6.337 7.251 0.536) 9.645 2.309 ( 4.167 6.769 -4.939) 9.358 2.622 ( 5.474 21.134 -3.540) 22.117 3.215 ( 14.077 3.031 -4.617) 15.121 3.416 ( -2.237 3.071 -3.060) 4.878 3.515 ( -5.102 -10.511 12.368) 17.014 3.563 ( 2.207 -0.703 5.406) 5.881 3.662 ( 3.762 -1.464 -0.366) 4.054 3.764 ( -4.654 -3.354 -10.774) 12.206 4.524 ( -12.301 -6.784 14.622) 20.276 4.778 ( -5.958 -11.325 -10.416) 16.500 5.072 ( -2.200 -9.788 4.864) 11.149 5.265 ( 4.838 0.969 7.059) 8.613 5.362 ( 4.677 -1.698 3.620) 6.154 5.658 ( 3.276 12.223 -3.972) 13.263 5.922 ( -0.916 -12.874 -5.103) 13.879 6.307 ( -9.465 0.771 0.296) 9.501 6.498 ( -7.918 -1.621 7.938) 11.328 6.786 ( 2.165 -0.926 10.714) 10.969 6.864 ( -6.221 10.246 -7.532) 14.157 7.172 ( 7.111 3.393 -13.668) 15.776 7.472 ( 12.074 6.683 1.389) 13.870 7.589 ( 6.044 9.170 -3.316) 11.472 7.718 ( -0.223 -7.342 -5.933) 9.442 7.822 ( -8.906 -1.667 4.849) 10.276 8.117 ( -4.505 -2.281 -0.406) 5.066 8.206 ( 0.718 2.360 0.409) 2.501 8.491 ( 0.866 1.417 1.751) 2.413 8.645 ( -0.269 4.558 -0.912) 4.656 8.972 ( 0.398 -5.530 3.917) 6.789 9.093 ( -2.856 -6.474 -4.878) 8.595 9.380 ( -4.789 -8.947 2.635) 10.484 9.571 ( -2.315 -2.420 5.290) 6.261 9.865 ( -8.640 -7.915 -2.011) 11.889 10.012 ( -6.619 -3.741 -0.089) 7.604 11.082 ( -0.711 1.434 -0.064) 1.602 11.153 ( 2.069 5.996 0.728) 6.384 11.344 ( 5.148 8.025 2.746) 9.922 11.466 ( 5.950 6.247 -5.987) 10.501 11.730 ( 12.339 -3.412 1.269) 12.865 12.053 ( 2.325 8.249 0.106) 8.571 12.288 ( 0.562 -0.945 -1.195) 1.624 12.515 ( 1.010 5.881 -3.640) 6.990 12.868 ( 10.945 -2.752 3.788) 11.905 13.351 ( 1.183 12.526 -3.130) 12.965 14.134 ( -5.225 -5.803 11.096) 13.568 14.249 ( -3.018 -5.380 -5.753) 8.435 14.506 ( 0.604 1.915 -1.441) 2.472 14.536 ( 1.260 2.774 0.128) 3.049 15.759 ( -2.859 -9.281 -7.101) 12.031 15.838 ( -8.317 -2.650 6.323) 10.778 16.503 ( -4.532 -1.480 7.646) 9.011 16.555 ( -2.344 -5.962 -8.224) 10.425 ======================= Grid point 281 (52/68) ======================= q-point: ( 0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 3.683 3.944 8.899) 10.407 2.350 ( 1.907 3.330 6.769) 7.781 2.443 ( 4.019 7.599 -2.073) 8.843 2.861 ( 4.322 8.827 -5.681) 11.352 3.218 ( -7.420 -7.587 0.698) 10.635 3.404 ( 10.257 -8.598 -8.872) 16.058 3.533 ( -0.710 0.400 5.055) 5.120 3.546 ( -6.605 1.900 1.752) 7.093 3.760 ( 13.028 3.429 2.948) 13.790 3.828 ( 6.664 7.132 -8.727) 13.093 4.277 ( -10.838 0.185 9.870) 14.660 4.419 ( -14.225 -10.517 -17.222) 24.689 5.059 ( 9.832 -15.360 7.813) 19.840 5.309 ( 7.850 -11.624 -1.137) 14.072 5.518 ( 6.198 6.686 6.876) 11.419 5.739 ( -5.914 2.553 -3.025) 7.116 5.843 ( 2.695 -0.267 1.839) 3.274 6.180 ( -6.466 -2.621 0.759) 7.018 6.319 ( -8.027 5.438 4.591) 10.727 6.608 ( -15.069 0.562 -6.873) 16.572 6.966 ( 4.138 5.037 8.706) 10.876 7.314 ( 2.084 4.880 -11.549) 12.710 7.572 ( 0.846 -11.568 -9.829) 15.203 7.618 ( -4.707 -0.128 6.396) 7.942 7.799 ( 9.065 9.317 4.466) 13.745 7.880 ( 4.525 11.023 -3.208) 12.340 8.055 ( -0.649 -1.181 1.188) 1.797 8.247 ( 0.438 1.061 2.072) 2.369 8.529 ( 1.107 3.701 -1.913) 4.311 8.637 ( -4.042 2.415 -2.626) 5.391 8.945 ( 0.981 -3.016 6.040) 6.822 9.039 ( 2.688 -4.678 -4.818) 7.233 9.209 ( -2.324 -7.259 4.390) 8.796 9.524 ( -3.060 0.383 4.047) 5.088 9.617 ( -7.167 -10.450 -0.762) 12.694 9.879 ( -4.053 -3.024 -2.909) 5.834 11.085 ( -0.443 1.074 -0.214) 1.182 11.245 ( -0.134 7.684 1.719) 7.875 11.468 ( 1.047 6.171 9.354) 11.255 11.657 ( 6.914 4.906 -12.452) 15.064 11.871 ( 8.497 -5.733 1.613) 10.376 12.160 ( 0.643 6.721 0.393) 6.763 12.270 ( 1.363 -5.021 -0.956) 5.290 12.560 ( -2.010 4.933 -6.499) 8.403 13.000 ( 10.048 -8.322 2.087) 13.213 13.459 ( -2.032 10.280 5.390) 11.784 13.997 ( -2.736 -4.676 5.863) 7.983 14.111 ( -4.863 -6.196 -4.667) 9.156 14.522 ( -0.367 1.480 -1.395) 2.067 14.585 ( 0.122 3.359 -0.261) 3.371 15.658 ( 1.407 -7.673 -11.086) 13.555 15.712 ( -6.020 2.992 11.268) 13.121 16.434 ( -2.020 -0.825 4.079) 4.626 16.472 ( -1.238 -3.830 -5.496) 6.812 ======================= Grid point 282 (53/68) ======================= q-point: ( 0.45 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -2.438 4.224 4.046) 6.337 2.353 ( -0.819 1.419 14.887) 14.977 2.548 ( -0.455 0.788 3.323) 3.445 2.991 ( -0.864 1.496 -9.784) 9.935 3.056 ( 0.201 -0.349 7.477) 7.488 3.398 ( 2.685 -4.650 -8.519) 10.070 3.486 ( 5.367 -9.296 -6.341) 12.467 3.589 ( -2.450 4.244 10.714) 11.781 3.916 ( 2.040 -3.534 6.227) 7.445 4.017 ( -2.095 3.629 -13.885) 14.503 4.152 ( -4.613 7.989 4.750) 10.376 4.173 ( 0.710 -1.230 -16.720) 16.781 5.067 ( 9.821 -17.010 7.937) 21.185 5.330 ( 7.533 -13.048 -4.968) 15.865 5.623 ( -0.033 0.058 1.635) 1.636 5.668 ( -3.248 5.626 4.160) 7.714 5.896 ( 2.354 -4.077 6.272) 7.842 6.045 ( -0.772 1.338 0.868) 1.772 6.358 ( -6.670 11.553 1.858) 13.469 6.410 ( -5.292 9.166 -8.171) 13.371 7.033 ( -0.588 1.018 6.917) 7.017 7.348 ( -1.910 3.307 -6.906) 7.891 7.504 ( 5.484 -9.499 -14.006) 17.789 7.585 ( -2.929 5.073 8.715) 10.501 7.942 ( -3.291 5.700 3.797) 7.599 8.004 ( -4.295 7.439 -5.576) 10.241 8.048 ( 4.263 -7.383 2.775) 8.965 8.241 ( 0.007 -0.012 5.060) 5.060 8.572 ( -0.492 0.852 -4.584) 4.689 8.600 ( -3.044 5.273 -1.221) 6.209 8.941 ( 1.698 -2.940 5.743) 6.671 9.023 ( 4.067 -7.044 2.700) 8.570 9.216 ( -1.281 2.219 2.038) 3.274 9.395 ( 0.246 -0.425 -11.676) 11.686 9.537 ( 2.768 -4.794 11.034) 12.345 9.823 ( 0.751 -1.301 -4.867) 5.094 11.087 ( -0.486 0.841 -0.272) 1.009 11.287 ( -4.027 6.975 1.915) 8.278 11.511 ( -2.137 3.702 11.368) 12.145 11.754 ( -0.514 0.890 -14.587) 14.624 11.917 ( 4.584 -7.940 1.898) 9.363 12.197 ( -2.754 4.770 3.687) 6.628 12.258 ( 3.549 -6.148 -3.560) 7.941 12.563 ( -2.632 4.558 -7.982) 9.561 13.049 ( 7.280 -12.610 1.400) 14.628 13.493 ( -4.864 8.425 11.102) 14.761 13.965 ( 1.007 -1.744 0.154) 2.020 14.004 ( 1.142 -1.978 -2.790) 3.606 14.527 ( -0.760 1.317 -1.406) 2.071 14.604 ( -1.545 2.676 -0.271) 3.102 15.636 ( 4.505 -7.802 -15.117) 17.598 15.674 ( -4.156 7.199 15.624) 17.697 16.412 ( 0.233 -0.404 1.718) 1.780 16.439 ( 0.953 -1.650 -3.410) 3.906 ======================= Grid point 291 (54/68) ======================= q-point: ( 0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 7.328 12.692 -11.423) 18.582 2.103 ( 2.586 4.478 -15.621) 16.455 2.346 ( 7.016 12.152 4.405) 14.707 2.750 ( 6.586 11.407 7.701) 15.257 3.025 ( 9.672 16.753 -7.242) 20.656 3.478 ( -5.326 -9.225 17.300) 20.316 3.486 ( -2.990 -5.180 -5.249) 7.957 3.531 ( -0.771 -1.336 -1.816) 2.383 3.628 ( -0.505 -0.874 5.379) 5.473 3.796 ( -1.381 -2.392 -11.818) 12.136 4.597 ( -4.908 -8.500 11.538) 15.148 4.715 ( -2.677 -4.636 5.869) 7.944 5.115 ( -10.141 -17.565 -2.168) 20.397 5.241 ( -4.592 -7.954 -0.159) 9.186 5.284 ( 4.015 6.953 12.076) 14.502 5.683 ( 7.128 12.346 -1.493) 14.333 5.854 ( -3.825 -6.625 -11.807) 14.068 6.394 ( -3.615 -6.262 0.946) 7.293 6.614 ( -4.394 -7.611 9.215) 12.734 6.717 ( 3.654 6.329 13.015) 14.926 7.029 ( 8.996 15.581 -13.685) 22.605 7.101 ( -0.191 -0.331 -15.488) 15.493 7.360 ( 3.278 5.678 4.576) 7.996 7.601 ( 3.826 6.627 -6.353) 9.946 7.664 ( -0.593 -1.027 -6.109) 6.223 7.903 ( -4.957 -8.586 4.930) 11.073 8.167 ( -0.882 -1.528 -0.630) 1.874 8.201 ( 1.679 2.908 2.151) 3.988 8.515 ( 2.104 3.643 5.739) 7.116 8.661 ( 2.044 3.541 3.010) 5.077 8.917 ( -3.447 -5.970 -2.847) 7.458 9.083 ( -4.855 -8.409 -4.046) 10.519 9.394 ( -3.466 -6.004 3.677) 7.847 9.552 ( -4.641 -8.038 4.581) 10.350 9.922 ( -4.567 -7.910 -2.798) 9.553 10.052 ( -4.068 -7.046 0.840) 8.179 11.109 ( 0.619 1.072 -1.612) 2.032 11.167 ( 3.811 6.602 1.174) 7.713 11.328 ( 5.946 10.298 -7.192) 13.897 11.512 ( 3.045 5.274 0.723) 6.133 11.524 ( 3.026 5.241 6.380) 8.794 12.064 ( 2.869 4.969 0.954) 5.816 12.311 ( 0.720 1.247 -7.175) 7.318 12.512 ( 2.491 4.314 1.082) 5.097 12.755 ( 2.524 4.372 2.279) 5.539 13.407 ( 5.583 9.671 -4.410) 12.006 14.152 ( -4.281 -7.415 13.427) 15.925 14.245 ( -2.935 -5.083 -6.161) 8.509 14.522 ( 2.497 4.325 -1.512) 5.218 14.533 ( 0.893 1.547 0.445) 1.841 15.732 ( -5.654 -9.793 -8.555) 14.180 15.900 ( -3.346 -5.796 6.146) 9.087 16.541 ( -2.517 -4.359 8.846) 10.178 16.543 ( -3.100 -5.369 -8.390) 10.432 ======================= Grid point 292 (55/68) ======================= q-point: ( 0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 4.851 7.663 -3.412) 9.690 2.359 ( 6.898 11.296 -5.906) 14.494 2.509 ( 1.098 8.819 4.573) 9.995 2.896 ( 1.699 6.184 -1.802) 6.661 3.199 ( -2.648 -12.411 3.134) 13.071 3.245 ( -2.935 -7.251 -6.140) 9.944 3.455 ( 5.674 -1.161 -1.412) 5.962 3.588 ( -0.981 -4.792 5.152) 7.104 3.662 ( 5.339 9.314 14.835) 18.312 3.840 ( 3.297 10.077 -19.632) 22.312 4.417 ( -6.066 -4.012 11.845) 13.900 4.540 ( -9.694 -10.720 -9.697) 17.405 4.823 ( -0.933 -11.877 10.805) 16.083 5.112 ( 0.779 -9.356 -4.626) 10.467 5.450 ( 6.265 5.479 10.136) 13.116 5.774 ( -1.239 -3.262 -6.467) 7.348 5.871 ( 1.239 6.004 -0.212) 6.134 6.258 ( -5.287 -4.149 1.305) 6.847 6.480 ( -4.370 1.675 5.386) 7.136 6.803 ( -4.876 -0.141 0.432) 4.897 6.990 ( -2.344 2.145 -6.153) 6.924 7.302 ( 5.809 6.476 -9.741) 13.060 7.420 ( 3.417 -4.425 -1.065) 5.691 7.643 ( -1.885 -3.833 3.167) 5.317 7.768 ( 5.532 9.513 0.089) 11.005 7.924 ( 4.682 11.133 -1.436) 12.162 8.119 ( -3.241 0.548 2.166) 3.937 8.255 ( 0.794 2.234 3.103) 3.905 8.566 ( -1.078 4.885 -0.758) 5.059 8.710 ( 0.181 0.205 2.785) 2.799 8.846 ( 1.148 -4.349 -3.989) 6.012 8.964 ( 1.125 -4.940 -3.641) 6.240 9.228 ( -8.003 -5.259 6.070) 11.338 9.420 ( 2.253 -10.890 5.234) 12.291 9.738 ( -8.727 -5.333 -5.432) 11.580 9.906 ( -4.156 -6.214 0.724) 7.511 11.130 ( -0.715 3.133 -3.310) 4.613 11.310 ( 2.919 8.801 2.939) 9.727 11.523 ( 1.950 8.439 2.517) 9.020 11.593 ( 4.773 5.762 -3.877) 8.427 11.680 ( 8.047 -1.117 4.743) 9.407 12.141 ( 2.708 0.775 -1.712) 3.297 12.289 ( -3.245 0.071 -4.993) 5.956 12.573 ( 2.088 -1.116 -0.946) 2.549 12.839 ( 3.378 0.817 -0.608) 3.528 13.551 ( 1.424 6.644 3.643) 7.710 13.997 ( -3.811 -6.570 10.342) 12.831 14.117 ( -3.903 -7.086 -4.942) 9.480 14.563 ( -0.228 3.403 -0.743) 3.491 14.607 ( 1.665 3.740 -0.785) 4.168 15.563 ( -1.840 -8.835 -16.252) 18.590 15.817 ( -2.777 0.470 12.375) 12.692 16.455 ( -1.731 -3.706 -5.063) 6.508 16.461 ( -2.308 -2.662 5.075) 6.178 ======================= Grid point 293 (56/68) ======================= q-point: ( 0.36 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 1.726 6.910 9.597) 11.951 2.476 ( -4.944 7.892 4.598) 10.386 2.611 ( -0.610 8.928 -4.277) 9.918 2.981 ( 2.713 3.515 -2.498) 5.095 3.087 ( -3.430 -3.991 -0.639) 5.301 3.148 ( 9.063 -13.656 -10.148) 19.277 3.403 ( -2.430 -7.337 5.515) 9.494 3.544 ( 3.945 -7.496 1.294) 8.569 3.864 ( 2.381 4.191 9.068) 10.269 3.981 ( 5.543 3.070 -7.936) 10.156 4.241 ( -8.902 -5.996 -0.114) 10.733 4.370 ( -3.996 6.853 -10.452) 13.122 4.784 ( 4.472 -6.788 13.815) 16.029 5.111 ( 6.311 -3.835 -9.365) 11.926 5.571 ( 1.347 -3.704 3.361) 5.179 5.685 ( 1.456 -3.143 2.759) 4.428 5.896 ( -2.802 1.680 4.562) 5.611 6.115 ( -4.686 -2.249 -1.000) 5.293 6.512 ( 0.009 8.682 -2.926) 9.162 6.629 ( -9.163 0.871 -7.704) 12.002 7.049 ( 1.360 2.388 2.647) 3.816 7.366 ( 1.420 -2.071 -3.720) 4.489 7.426 ( -2.292 3.155 -4.594) 6.026 7.620 ( 1.308 -0.347 6.684) 6.819 7.938 ( 1.876 1.203 4.014) 4.591 8.030 ( 1.757 5.328 1.974) 5.947 8.155 ( -1.269 8.660 -1.465) 8.874 8.267 ( -0.828 1.369 4.192) 4.487 8.591 ( -0.717 1.750 -4.445) 4.831 8.679 ( -1.963 0.324 0.046) 1.990 8.859 ( 4.059 -2.401 0.322) 4.727 8.939 ( -3.330 -3.333 1.002) 4.817 9.144 ( 5.803 -1.686 2.729) 6.631 9.378 ( 2.550 -8.775 -1.813) 9.316 9.524 ( -7.701 -2.767 -2.713) 8.621 9.794 ( -1.246 -4.542 -1.101) 4.837 11.145 ( -2.074 4.381 -4.323) 6.495 11.427 ( -1.343 9.341 6.080) 11.226 11.585 ( -1.143 4.732 9.328) 10.522 11.733 ( 4.153 -0.357 -4.568) 6.184 11.786 ( 4.528 0.487 -1.634) 4.839 12.142 ( 0.947 -6.373 -4.082) 7.627 12.265 ( -0.379 2.637 1.211) 2.927 12.567 ( 1.898 -5.373 -4.622) 7.338 12.885 ( 1.910 -1.065 -2.502) 3.323 13.606 ( -1.030 3.816 12.941) 13.531 13.918 ( 0.857 -2.694 1.992) 3.458 13.985 ( -2.610 -5.520 -2.577) 6.628 14.589 ( -1.815 4.688 -2.027) 5.420 14.651 ( -0.451 2.801 0.275) 2.850 15.486 ( 2.565 -7.830 -19.683) 21.338 15.797 ( -2.611 4.147 15.196) 15.967 16.405 ( -0.506 -1.781 0.803) 2.018 16.411 ( -0.285 -2.175 -1.283) 2.541 ======================= Grid point 299 (57/68) ======================= q-point: (-0.09 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -4.591 7.952 21.323) 23.216 1.475 ( -1.488 2.578 29.445) 29.595 1.812 ( -2.319 4.017 -22.787) 23.254 2.527 ( -6.390 11.068 -16.897) 21.186 2.874 ( -13.999 24.247 18.568) 33.596 2.911 ( -1.600 2.772 -16.452) 16.761 3.723 ( 3.879 -6.719 9.758) 12.466 3.754 ( 5.131 -8.887 2.248) 10.506 3.959 ( 4.201 -7.277 -4.406) 9.488 4.176 ( 2.686 -4.652 -13.873) 14.877 4.564 ( -1.389 2.406 15.989) 16.229 4.902 ( 2.059 -3.567 -3.760) 5.577 5.226 ( -2.771 4.799 -2.330) 6.012 5.249 ( -2.919 5.055 -4.847) 7.587 5.686 ( -4.817 8.343 6.020) 11.360 5.692 ( 3.426 -5.933 -7.597) 10.230 6.065 ( 5.954 -10.313 6.015) 13.342 6.400 ( 8.107 -14.042 -3.767) 16.647 6.477 ( -7.050 12.212 -0.406) 14.107 6.571 ( 2.553 -4.422 0.381) 5.120 6.742 ( -3.441 5.960 2.047) 7.180 7.062 ( 2.531 -4.385 -3.775) 6.315 7.274 ( -0.116 0.200 14.601) 14.603 7.408 ( 0.179 -0.311 -13.601) 13.606 7.836 ( 2.884 -4.994 -0.075) 5.768 8.076 ( -3.038 5.263 -2.402) 6.534 8.108 ( -3.257 5.642 -4.131) 7.713 8.196 ( -1.284 2.224 10.930) 11.227 8.409 ( -1.993 3.452 9.096) 9.931 8.731 ( 4.204 -7.281 -10.043) 13.098 9.270 ( 5.847 -10.127 -1.564) 11.798 9.400 ( 5.899 -10.217 2.470) 12.054 9.553 ( 1.941 -3.362 -2.406) 4.567 9.761 ( 0.039 -0.068 0.214) 0.228 10.336 ( 7.069 -12.243 0.981) 14.171 10.351 ( 6.351 -11.000 2.215) 12.893 10.982 ( -4.215 7.300 4.856) 9.728 10.995 ( -1.593 2.759 -3.803) 4.961 11.064 ( -0.806 1.396 -2.176) 2.708 11.182 ( -2.042 3.536 2.272) 4.673 11.440 ( -3.897 6.750 -5.601) 9.598 11.663 ( -8.023 13.896 2.297) 16.209 12.206 ( -0.944 1.635 -1.494) 2.407 12.234 ( -4.044 7.004 0.883) 8.135 12.573 ( -10.526 18.232 8.051) 22.540 12.579 ( -6.608 11.445 -9.239) 16.125 14.278 ( 1.724 -2.986 4.340) 5.543 14.401 ( -0.527 0.913 -1.236) 1.624 14.428 ( -0.273 0.473 -0.119) 0.559 14.483 ( -1.236 2.142 -1.429) 2.856 16.075 ( 1.073 -1.859 3.544) 4.143 16.156 ( 2.533 -4.387 -5.522) 7.494 16.815 ( 9.755 -16.896 6.350) 20.517 17.022 ( 5.549 -9.612 -5.612) 12.437 ======================= Grid point 303 (58/68) ======================= q-point: ( 0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 4.868 8.431 -1.560) 9.859 2.595 ( 4.422 7.659 -0.505) 8.859 2.693 ( 5.531 9.580 -1.516) 11.166 2.939 ( -4.542 -7.867 4.016) 9.932 2.977 ( 1.752 3.034 0.915) 3.621 3.093 ( -3.615 -6.261 -7.467) 10.393 3.404 ( -2.229 -3.861 -1.984) 4.880 3.422 ( -6.067 -10.509 8.018) 14.544 3.886 ( 6.351 11.000 13.288) 18.381 3.932 ( -3.122 -5.408 -14.126) 15.444 4.316 ( -3.221 -5.579 12.921) 14.438 4.370 ( -4.027 -6.975 -12.527) 14.893 4.776 ( 6.033 10.450 6.832) 13.866 5.021 ( 0.960 1.663 -6.099) 6.395 5.555 ( 2.787 4.827 5.557) 7.871 5.628 ( -6.909 -11.967 -3.832) 14.339 5.946 ( 1.510 2.616 3.032) 4.280 6.138 ( -4.875 -8.444 -0.267) 9.754 6.549 ( 2.146 3.717 -4.334) 6.099 6.716 ( -3.441 -5.961 -12.091) 13.912 7.047 ( 1.968 3.409 3.572) 5.316 7.353 ( 2.121 3.673 5.356) 6.832 7.484 ( 2.207 3.823 -6.005) 7.453 7.586 ( -0.620 -1.074 5.210) 5.355 7.978 ( 5.496 9.520 4.641) 11.932 7.999 ( -1.497 -2.594 0.325) 3.013 8.210 ( 2.498 4.326 2.536) 5.602 8.276 ( -0.132 -0.229 4.780) 4.788 8.638 ( 0.821 1.422 -3.129) 3.534 8.646 ( -0.072 -0.125 1.861) 1.867 8.871 ( 1.028 1.781 -10.952) 11.144 8.912 ( -0.147 -0.254 3.550) 3.562 9.158 ( -2.137 -3.701 10.780) 11.596 9.216 ( -2.321 -4.020 -7.329) 8.675 9.598 ( -4.917 -8.517 -6.562) 11.823 9.780 ( -3.015 -5.222 1.136) 6.136 11.200 ( 1.792 3.103 -7.190) 8.033 11.495 ( 4.792 8.301 6.630) 11.654 11.642 ( 0.655 1.134 9.070) 9.165 11.659 ( 1.522 2.636 6.005) 6.733 11.746 ( 3.897 6.750 -4.572) 9.037 12.102 ( -2.793 -4.838 -5.551) 7.875 12.280 ( 0.197 0.341 -3.410) 3.432 12.497 ( -2.946 -5.103 0.620) 5.925 12.881 ( 1.267 2.194 -5.833) 6.359 13.631 ( 0.868 1.504 12.245) 12.367 13.895 ( -1.564 -2.709 3.962) 5.048 13.978 ( -3.311 -5.734 -2.662) 7.136 14.637 ( 1.972 3.415 -0.108) 3.945 14.674 ( 1.350 2.338 -0.634) 2.774 15.415 ( -3.013 -5.218 -22.185) 22.989 15.843 ( 0.925 1.602 15.111) 15.224 16.394 ( -1.151 -1.993 -3.560) 4.239 16.407 ( -1.346 -2.331 3.423) 4.355 ======================= Grid point 304 (59/68) ======================= q-point: ( 0.36 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -3.774 6.537 1.220) 7.646 2.630 ( -2.691 4.661 -1.953) 5.725 2.798 ( -3.739 6.476 -0.608) 7.503 2.879 ( 4.465 -7.734 -3.067) 9.442 3.052 ( -1.252 2.169 -1.250) 2.799 3.087 ( -1.973 3.418 2.762) 4.817 3.228 ( 4.452 -7.712 5.124) 10.274 3.344 ( 5.777 -10.006 -0.453) 11.563 3.815 ( 2.285 -3.958 -10.455) 11.410 4.075 ( -1.772 3.069 4.988) 6.119 4.166 ( -0.768 1.330 12.797) 12.889 4.311 ( 5.025 -8.703 0.861) 10.087 4.944 ( -9.000 15.588 -0.170) 18.000 5.162 ( -1.658 2.872 -12.026) 12.475 5.375 ( 5.510 -9.544 3.184) 11.472 5.642 ( 1.615 -2.797 -1.555) 3.584 5.938 ( -1.645 2.850 3.718) 4.965 6.029 ( 3.245 -5.621 0.010) 6.490 6.612 ( -0.336 0.582 -8.688) 8.714 6.630 ( -0.440 0.763 -10.249) 10.287 7.087 ( -0.870 1.507 4.129) 4.481 7.437 ( -3.584 6.208 6.521) 9.690 7.495 ( -1.593 2.758 -1.997) 3.760 7.586 ( 2.014 -3.488 6.705) 7.822 7.949 ( -0.894 1.548 -0.706) 1.922 8.112 ( -0.736 1.275 3.564) 3.856 8.212 ( 2.196 -3.803 3.263) 5.471 8.268 ( -0.358 0.620 6.823) 6.860 8.664 ( -2.950 5.110 -3.595) 6.909 8.690 ( -1.483 2.568 1.897) 3.520 8.854 ( 0.757 -1.311 7.465) 7.617 8.903 ( 1.857 -3.216 -8.758) 9.513 9.100 ( -1.807 3.130 4.809) 6.015 9.258 ( 3.427 -5.936 -14.084) 15.663 9.456 ( 1.231 -2.132 -4.106) 4.787 9.720 ( 1.200 -2.078 0.912) 2.567 11.236 ( -1.865 3.231 -9.113) 9.847 11.596 ( -3.355 5.810 10.780) 12.697 11.654 ( -0.982 1.700 9.641) 9.839 11.681 ( 1.265 -2.191 7.374) 7.796 11.854 ( -2.113 3.659 -6.444) 7.706 12.004 ( 3.434 -5.948 -4.232) 8.068 12.305 ( -1.057 1.830 -1.201) 2.431 12.418 ( 3.689 -6.390 -2.300) 7.729 12.906 ( -0.715 1.239 -7.798) 7.928 13.640 ( -0.211 0.365 16.023) 16.029 13.883 ( 0.566 -0.981 -0.098) 1.136 13.903 ( 1.124 -1.947 -0.840) 2.399 14.683 ( -1.793 3.106 -0.582) 3.633 14.694 ( -0.703 1.217 0.651) 1.548 15.359 ( 2.149 -3.723 -24.516) 24.890 15.863 ( -1.066 1.846 16.018) 16.159 16.376 ( 0.509 -0.881 -1.427) 1.752 16.378 ( 0.477 -0.827 0.975) 1.365 ======================= Grid point 310 (60/68) ======================= q-point: (-0.18 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -13.252 7.907 12.590) 19.916 1.674 ( -16.857 4.168 12.024) 21.121 2.024 ( -8.631 15.748 -7.968) 19.647 2.632 ( 7.191 12.293 -10.249) 17.546 3.023 ( -10.565 -4.610 -5.221) 12.655 3.290 ( -7.876 16.804 6.096) 19.533 3.571 ( 4.346 -8.003 1.721) 9.268 3.648 ( -0.495 -0.547 0.023) 0.738 3.795 ( 5.800 -5.926 -0.484) 8.306 4.017 ( 8.222 -5.349 -13.264) 16.497 4.684 ( -3.825 1.916 11.020) 11.821 4.852 ( -1.148 -5.277 2.410) 5.914 5.289 ( 4.629 2.759 -0.408) 5.404 5.357 ( 2.845 5.938 -2.959) 7.219 5.448 ( 3.324 -4.638 -2.417) 6.197 5.572 ( 10.418 -9.121 -3.999) 14.412 5.922 ( -3.491 -16.471 5.874) 17.832 6.377 ( -4.165 10.612 7.927) 13.885 6.516 ( 1.765 -1.800 -1.769) 3.080 6.690 ( -0.201 10.660 -1.914) 10.832 6.896 ( -2.548 1.460 0.187) 2.943 7.003 ( -5.899 -1.262 -7.440) 9.578 7.274 ( -1.077 4.464 11.709) 12.577 7.385 ( -0.178 -0.806 -9.394) 9.430 7.705 ( 3.629 -8.491 3.507) 9.877 8.086 ( 6.682 -4.156 4.637) 9.133 8.122 ( 1.360 3.825 0.659) 4.113 8.267 ( -7.704 -3.174 -5.037) 9.737 8.541 ( -2.372 6.786 1.617) 7.368 8.601 ( 6.899 2.054 -5.282) 8.929 9.088 ( 4.382 -7.983 0.619) 9.128 9.202 ( 3.627 -8.502 -1.082) 9.306 9.510 ( 0.839 -2.639 -0.793) 2.881 9.717 ( 4.136 0.100 -1.430) 4.377 10.073 ( 8.293 -11.798 2.111) 14.574 10.147 ( 6.158 -6.269 3.164) 9.340 11.064 ( -1.347 3.017 0.342) 3.322 11.067 ( -1.139 2.769 0.071) 2.995 11.131 ( -4.852 2.454 -0.391) 5.452 11.300 ( -4.615 8.115 1.752) 9.498 11.607 ( -9.129 1.500 -5.823) 10.931 11.901 ( -3.885 12.240 1.791) 12.966 12.235 ( -2.190 -1.654 0.020) 2.745 12.392 ( -3.971 7.490 -0.490) 8.492 12.787 ( -8.646 1.864 -5.556) 10.444 12.948 ( -9.995 16.195 8.301) 20.762 14.212 ( 1.982 -3.731 5.829) 7.199 14.410 ( 1.574 1.913 -2.954) 3.856 14.448 ( -1.776 -0.008 -0.305) 1.802 14.518 ( -0.312 1.847 -1.763) 2.572 15.951 ( 10.114 -14.292 -2.163) 17.642 16.017 ( 3.015 -1.656 0.410) 3.464 16.522 ( 5.280 -9.260 7.666) 13.130 16.834 ( 7.053 -4.320 -8.540) 11.888 ======================= Grid point 322 (61/68) ======================= q-point: (-0.27 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -12.172 5.326 13.520) 18.956 2.144 ( -24.550 5.961 -5.128) 25.778 2.372 ( -8.144 17.794 0.512) 19.576 2.589 ( 8.513 9.428 -2.639) 12.975 3.153 ( -7.750 -3.283 1.207) 8.502 3.363 ( 4.260 -4.208 3.230) 6.804 3.561 ( -0.054 0.670 -0.805) 1.049 3.644 ( 0.611 -0.876 2.467) 2.688 3.732 ( -3.814 0.664 -5.260) 6.531 3.841 ( 3.575 0.691 -15.888) 16.300 4.474 ( 17.633 -10.436 17.231) 26.772 4.800 ( 6.012 -10.050 -10.137) 15.489 5.128 ( -0.611 -3.199 0.988) 3.403 5.326 ( -2.935 -11.685 -1.558) 12.149 5.487 ( -2.464 10.625 -5.085) 12.034 5.555 ( -2.733 5.721 5.482) 8.381 5.849 ( -3.279 -7.892 1.479) 8.674 6.314 ( 10.019 -1.001 -0.810) 10.101 6.624 ( 2.583 7.541 7.617) 11.025 6.663 ( 8.280 -0.982 0.899) 8.387 6.879 ( -1.222 3.690 6.294) 7.397 7.118 ( -5.634 -2.369 -16.276) 17.386 7.476 ( -10.004 10.699 5.965) 15.816 7.541 ( -11.157 7.481 -2.337) 13.635 7.545 ( 3.153 -7.021 7.351) 10.643 7.901 ( 4.525 -7.200 -0.316) 8.510 8.162 ( 0.541 5.793 -2.503) 6.334 8.279 ( 2.925 -2.374 -7.425) 8.326 8.500 ( 4.363 1.889 1.982) 5.151 8.627 ( 0.799 4.174 -1.029) 4.372 8.946 ( 1.963 -7.159 5.789) 9.414 9.102 ( -0.450 -6.760 -4.567) 8.170 9.439 ( 3.506 -3.824 -2.927) 5.957 9.635 ( 6.768 1.501 0.593) 6.958 9.806 ( 5.426 -13.405 2.849) 14.740 9.993 ( 5.926 -3.393 1.332) 6.957 11.080 ( -0.523 0.223 0.083) 0.575 11.150 ( -1.310 6.403 1.346) 6.673 11.268 ( -5.779 4.454 4.991) 8.840 11.489 ( -6.559 8.135 -3.531) 11.031 11.779 ( -9.107 -0.471 -4.004) 9.959 12.067 ( -2.636 8.627 -0.758) 9.052 12.249 ( -3.128 -4.621 2.127) 5.972 12.502 ( -0.069 5.946 -2.054) 6.291 12.926 ( -8.463 -4.456 -1.635) 9.703 13.252 ( -6.379 14.593 5.773) 16.940 14.121 ( 3.414 -4.414 5.715) 7.988 14.360 ( 5.789 -0.706 -8.693) 10.468 14.482 ( -1.188 0.864 0.524) 1.560 14.543 ( -0.606 2.139 -0.699) 2.330 15.586 ( 8.476 -17.931 8.143) 21.440 15.955 ( 3.622 1.703 -4.026) 5.677 16.415 ( 0.784 -3.714 5.091) 6.350 16.678 ( 6.640 -2.399 -8.543) 11.083 ======================= Grid point 323 (62/68) ======================= q-point: (-0.18 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -8.000 13.857 6.088) 17.119 1.900 ( -8.948 15.499 4.364) 18.421 2.396 ( -10.042 17.393 -0.999) 20.109 2.803 ( -1.508 2.611 1.663) 3.443 2.982 ( -2.421 4.194 -1.967) 5.227 3.390 ( 5.018 -8.691 4.192) 10.876 3.549 ( -3.085 5.344 -2.642) 6.713 3.666 ( 3.360 -5.820 0.460) 6.736 3.684 ( -1.339 2.320 -3.882) 4.716 3.880 ( 2.287 -3.962 -17.281) 17.876 4.646 ( 8.014 -13.880 11.179) 19.541 4.710 ( 1.478 -2.559 2.478) 3.857 5.158 ( 5.156 -8.931 -4.729) 11.345 5.232 ( 8.839 -15.309 -0.252) 17.680 5.508 ( -3.704 6.415 -9.078) 11.717 5.533 ( -2.143 3.711 13.091) 13.775 5.789 ( -2.236 3.874 -5.483) 7.076 6.399 ( 4.009 -6.943 0.386) 8.027 6.681 ( -7.709 13.352 11.326) 19.130 6.769 ( 3.463 -5.997 15.039) 16.557 6.916 ( 0.659 -1.141 -12.857) 12.925 7.005 ( -3.466 6.004 -14.446) 16.024 7.453 ( -7.272 12.595 7.541) 16.382 7.460 ( -4.409 7.637 -3.378) 9.443 7.545 ( 3.047 -5.278 3.841) 7.204 7.907 ( 4.949 -8.571 3.460) 10.485 8.214 ( -0.166 0.287 -2.380) 2.403 8.244 ( -1.262 2.185 -2.483) 3.540 8.629 ( 0.091 -0.157 -2.916) 2.922 8.650 ( -1.858 3.218 2.182) 4.310 8.930 ( 4.272 -7.399 -2.905) 9.024 9.011 ( 4.507 -7.806 1.450) 9.130 9.481 ( 0.879 -1.523 -4.268) 4.616 9.653 ( 3.659 -6.338 -4.874) 8.793 9.820 ( 6.919 -11.984 7.162) 15.581 10.025 ( 3.222 -5.581 3.125) 7.161 11.084 ( 0.003 -0.004 0.693) 0.693 11.167 ( -3.583 6.205 1.008) 7.236 11.242 ( -4.772 8.265 0.706) 9.569 11.481 ( -5.120 8.868 3.109) 10.701 11.682 ( -3.045 5.273 -8.220) 10.230 12.085 ( -3.353 5.807 1.345) 6.839 12.192 ( 1.278 -2.213 1.663) 3.049 12.531 ( -2.907 5.035 -0.779) 5.866 12.823 ( -1.005 1.740 -4.205) 4.660 13.268 ( -8.154 14.124 8.482) 18.383 14.128 ( 2.631 -4.556 5.188) 7.389 14.402 ( 1.498 -2.594 -9.244) 9.718 14.493 ( -2.086 3.613 1.154) 4.329 14.541 ( -0.352 0.610 -1.097) 1.304 15.568 ( 11.567 -20.035 6.548) 24.043 15.997 ( 0.138 -0.239 -3.234) 3.246 16.400 ( 1.959 -3.393 5.339) 6.622 16.729 ( 3.303 -5.721 -8.657) 10.890 ======================= Grid point 334 (63/68) ======================= q-point: (-0.36 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -9.391 6.814 9.707) 15.127 2.478 ( 6.260 4.443 -5.521) 9.456 2.600 ( -15.856 7.115 -1.225) 17.423 2.680 ( -3.882 10.783 3.605) 12.014 3.153 ( -2.562 -8.022 5.284) 9.941 3.314 ( 3.139 0.998 7.121) 7.846 3.423 ( 6.629 -6.976 -6.655) 11.700 3.631 ( -3.540 -3.012 0.267) 4.656 3.823 ( -5.757 -0.947 -2.707) 6.432 3.993 ( -6.292 6.192 -12.411) 15.230 4.068 ( 12.559 -3.489 12.366) 17.967 4.523 ( 12.540 -4.222 -12.808) 18.415 5.170 ( -8.352 -9.769 -0.573) 12.865 5.261 ( -6.119 -17.836 1.412) 18.909 5.630 ( -1.728 6.433 -3.074) 7.336 5.658 ( -0.868 6.961 4.197) 8.175 5.885 ( -4.629 0.828 -1.523) 4.943 6.166 ( 6.457 1.995 0.808) 6.806 6.416 ( 12.511 -2.308 4.325) 13.437 6.495 ( 12.728 2.298 -4.169) 13.589 7.040 ( -4.088 9.003 12.586) 16.006 7.187 ( -3.341 -1.867 -10.216) 10.909 7.387 ( 3.903 -5.794 4.628) 8.380 7.717 ( -4.806 3.387 2.170) 6.267 7.844 ( -1.695 2.860 -3.626) 4.920 7.864 ( -9.512 10.173 -0.684) 13.944 8.158 ( 1.839 -3.027 -8.354) 9.074 8.259 ( -0.810 6.527 0.410) 6.590 8.456 ( 1.435 -1.270 5.388) 5.718 8.616 ( 3.184 2.164 -1.022) 3.983 8.900 ( -3.763 -4.095 7.517) 9.351 9.056 ( -0.627 -4.179 -4.261) 6.001 9.312 ( 4.502 -7.882 -2.394) 9.388 9.441 ( 10.403 -3.035 4.392) 11.693 9.694 ( -1.895 -4.543 -0.443) 4.942 9.854 ( 5.418 -3.487 -2.625) 6.957 11.091 ( -1.222 -1.195 -0.722) 1.855 11.232 ( 1.641 9.210 2.433) 9.666 11.402 ( -3.188 4.501 10.962) 12.271 11.679 ( -5.528 5.776 -8.998) 12.037 11.910 ( -6.666 -2.166 -2.675) 7.502 12.161 ( -0.600 2.608 -0.075) 2.677 12.276 ( -5.183 -2.691 -0.802) 5.895 12.513 ( 3.559 2.791 -2.105) 4.988 13.003 ( -7.701 -8.494 1.461) 11.558 13.489 ( -3.335 14.555 2.545) 15.148 14.016 ( 2.979 -3.400 3.185) 5.530 14.178 ( 10.272 -4.569 -9.229) 14.545 14.507 ( -1.051 0.056 -0.463) 1.150 14.579 ( 0.165 3.381 0.311) 3.400 15.348 ( -0.609 -14.059 15.691) 21.077 15.926 ( 3.446 4.727 -6.760) 8.940 16.392 ( -1.023 -1.461 1.877) 2.590 16.547 ( 5.083 -2.173 -6.221) 8.323 ======================= Grid point 335 (64/68) ======================= q-point: (-0.27 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -6.629 13.803 5.579) 16.297 2.308 ( -18.870 9.600 -2.555) 21.325 2.626 ( 0.726 7.224 -4.686) 8.641 2.818 ( 1.876 9.662 4.861) 10.978 3.101 ( 1.741 -3.482 1.321) 4.111 3.305 ( -3.812 2.791 8.073) 9.354 3.441 ( 1.625 -10.828 -6.672) 12.822 3.560 ( 3.678 -3.573 1.149) 5.255 3.725 ( -2.211 -2.380 -3.371) 4.681 3.964 ( -3.804 6.057 -13.448) 15.232 4.264 ( 14.229 -10.690 14.376) 22.878 4.636 ( 4.031 -3.421 -7.472) 9.154 4.961 ( 0.574 -14.802 8.119) 16.892 5.045 ( -0.871 -7.837 -8.200) 11.376 5.617 ( -2.681 1.437 4.561) 5.482 5.630 ( -4.194 3.165 -3.241) 6.173 5.906 ( -1.755 7.188 -3.755) 8.298 6.259 ( 5.179 -4.182 1.245) 6.772 6.577 ( 8.292 -5.064 10.527) 14.326 6.684 ( 7.182 -2.958 -10.247) 12.858 7.070 ( -5.129 12.699 9.493) 16.664 7.137 ( -3.981 4.328 -9.847) 11.470 7.421 ( 3.082 -2.471 -1.404) 4.192 7.658 ( -3.667 0.292 1.784) 4.089 7.745 ( -10.117 11.896 1.225) 15.664 7.869 ( -4.734 9.073 4.128) 11.035 8.188 ( 2.084 -2.768 -2.763) 4.431 8.287 ( -1.141 2.689 -0.723) 3.009 8.550 ( 8.049 1.936 1.877) 8.489 8.698 ( 0.500 2.173 1.100) 2.486 8.781 ( 0.849 -8.426 3.185) 9.047 8.949 ( -4.623 -5.969 -2.681) 8.012 9.363 ( 10.144 -5.265 -5.616) 12.734 9.520 ( 0.003 -12.191 -0.060) 12.191 9.615 ( 4.288 -3.823 2.357) 6.209 9.902 ( 4.438 -5.456 1.062) 7.113 11.082 ( 0.157 0.117 1.126) 1.143 11.320 ( -3.661 9.636 2.450) 10.595 11.425 ( -3.499 10.298 4.122) 11.631 11.656 ( -4.601 7.481 -1.499) 8.910 11.799 ( -5.032 2.169 -7.267) 9.101 12.131 ( 0.116 -4.036 -1.465) 4.295 12.187 ( -3.515 0.799 4.429) 5.711 12.575 ( 1.359 0.196 -0.895) 1.639 12.854 ( -2.467 -2.184 -1.856) 3.781 13.530 ( -6.318 11.870 4.708) 14.247 14.027 ( 2.946 -4.591 3.306) 6.378 14.288 ( 6.764 -6.173 -15.560) 18.055 14.531 ( 1.640 3.439 2.053) 4.328 14.591 ( -2.824 2.660 0.828) 3.966 15.222 ( 4.680 -15.757 15.679) 22.716 16.007 ( 0.666 3.257 -5.953) 6.819 16.359 ( -0.251 -1.866 3.161) 3.679 16.602 ( 4.583 -4.727 -6.971) 9.589 ======================= Grid point 344 (65/68) ======================= q-point: (-0.45 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 3.254 5.637 4.946) 8.175 2.390 ( 2.058 3.565 -0.864) 4.206 2.715 ( 3.307 5.729 17.913) 19.095 2.856 ( -3.008 -5.211 -17.170) 18.194 3.173 ( 1.192 2.064 10.950) 11.206 3.267 ( -2.823 -4.890 -13.906) 15.008 3.269 ( -1.579 -2.735 10.999) 11.443 3.661 ( -1.348 -2.335 4.712) 5.429 3.848 ( -3.936 -6.817 8.976) 11.939 3.909 ( -2.407 -4.169 -1.275) 4.980 4.218 ( 6.172 10.690 -16.814) 20.859 4.317 ( 1.582 2.741 -10.607) 11.069 5.204 ( -9.952 -17.237 7.016) 21.104 5.205 ( -6.714 -11.629 -5.100) 14.364 5.664 ( 0.044 0.076 -1.075) 1.078 5.710 ( 4.728 8.189 -0.546) 9.472 6.015 ( -1.436 -2.487 -5.006) 5.771 6.057 ( -1.461 -2.530 2.104) 3.600 6.276 ( 5.424 9.395 4.047) 11.578 6.375 ( 6.941 12.022 -1.363) 13.948 7.140 ( 3.425 5.932 11.934) 13.760 7.188 ( -2.652 -4.593 -5.433) 7.593 7.317 ( -0.794 -1.375 1.247) 2.019 7.768 ( 0.609 1.055 -5.043) 5.188 7.900 ( 3.212 5.564 1.013) 6.504 7.989 ( 2.596 4.497 -1.311) 5.355 8.150 ( -3.756 -6.505 -6.322) 9.818 8.313 ( 1.621 2.808 -2.392) 4.030 8.432 ( 0.122 0.212 9.034) 9.037 8.597 ( 1.799 3.116 -0.667) 3.659 8.963 ( -2.566 -4.445 7.933) 9.448 9.039 ( -1.680 -2.910 -3.353) 4.747 9.153 ( -1.177 -2.039 10.022) 10.295 9.339 ( -1.352 -2.341 -8.510) 8.929 9.709 ( 1.225 2.122 6.511) 6.957 9.763 ( -2.562 -4.437 -10.267) 11.474 11.097 ( -1.136 -1.968 -1.115) 2.531 11.268 ( 5.372 9.305 2.645) 11.065 11.456 ( 1.205 2.087 13.740) 13.950 11.766 ( 0.823 1.426 -11.174) 11.295 11.961 ( -2.632 -4.559 -2.604) 5.874 12.168 ( -0.688 -1.192 2.383) 2.752 12.337 ( -0.861 -1.491 -7.653) 7.844 12.473 ( 1.398 2.422 1.190) 3.039 13.028 ( -6.277 -10.871 2.882) 12.880 13.625 ( 6.899 11.950 0.703) 13.816 13.986 ( -0.126 -0.219 -2.563) 2.575 14.000 ( -1.257 -2.176 -2.740) 3.718 14.517 ( -0.375 -0.649 -1.051) 1.291 14.596 ( 1.836 3.180 0.495) 3.705 15.288 ( -6.235 -10.800 17.311) 21.335 15.921 ( 3.339 5.784 -7.384) 9.956 16.406 ( -0.380 -0.658 -0.915) 1.189 16.475 ( -0.199 -0.345 -3.726) 3.747 ======================= Grid point 346 (66/68) ======================= q-point: (-0.36 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -6.365 11.014 5.414) 13.825 2.572 ( 7.743 2.142 1.431) 8.161 2.694 ( -11.352 5.806 -12.720) 18.010 2.860 ( 6.449 5.665 4.684) 9.778 3.047 ( -4.866 -2.963 -1.184) 5.818 3.212 ( 0.752 -6.750 -8.532) 10.905 3.431 ( 8.910 2.881 6.776) 11.559 3.545 ( -6.600 -5.159 1.567) 8.522 3.724 ( -2.331 -7.944 6.010) 10.230 3.848 ( 4.707 -3.849 11.436) 12.952 4.255 ( -8.516 4.235 -6.671) 11.618 4.482 ( 9.289 -1.884 -10.986) 14.509 4.892 ( -4.686 -9.322 11.497) 15.526 5.035 ( -3.296 -3.138 -10.280) 11.242 5.623 ( -0.908 -4.699 -1.243) 4.945 5.725 ( -5.392 -2.088 0.184) 5.785 5.984 ( -0.281 5.193 -3.700) 6.383 6.102 ( 6.050 -4.828 0.621) 7.765 6.451 ( 5.019 4.029 2.746) 6.997 6.558 ( 4.314 0.904 -3.920) 5.899 7.161 ( 0.754 3.136 -6.554) 7.305 7.260 ( 0.943 8.465 9.526) 12.778 7.364 ( 3.730 3.811 -1.863) 5.648 7.730 ( -5.413 -0.744 -3.238) 6.351 7.973 ( -2.589 4.695 1.791) 5.653 8.057 ( 0.108 4.177 0.485) 4.207 8.114 ( 1.274 6.158 -0.909) 6.354 8.342 ( -1.190 1.558 -1.983) 2.789 8.451 ( 3.054 0.018 7.861) 8.433 8.668 ( 2.635 2.241 0.410) 3.483 8.786 ( -7.890 -7.483 6.874) 12.865 9.006 ( -2.163 1.420 -3.955) 4.726 9.117 ( 3.757 -10.257 4.851) 11.953 9.339 ( 6.413 -5.455 -1.569) 8.564 9.616 ( -6.162 -5.090 -7.315) 10.834 9.765 ( 4.188 -4.112 1.231) 5.997 11.081 ( 0.134 0.258 1.452) 1.481 11.466 ( 1.287 12.623 2.742) 12.982 11.533 ( 2.684 8.058 8.507) 12.021 11.779 ( -1.983 3.508 -6.457) 7.611 11.886 ( -2.949 -0.212 -6.493) 7.135 12.084 ( -1.750 -6.234 -0.258) 6.480 12.288 ( -6.233 0.626 -0.418) 6.279 12.495 ( 3.295 -5.219 1.611) 6.378 12.865 ( -2.521 -4.107 -0.222) 4.824 13.747 ( -4.910 9.669 0.610) 10.862 13.950 ( 0.444 -2.969 0.389) 3.027 14.065 ( 9.182 -5.307 -11.410) 15.578 14.538 ( 1.555 3.218 2.125) 4.159 14.650 ( 0.011 3.146 0.444) 3.177 15.079 ( -3.565 -11.716 18.173) 21.915 16.028 ( 2.104 4.966 -6.606) 8.528 16.372 ( -2.436 -0.520 -0.044) 2.491 16.482 ( 3.178 -3.902 -4.086) 6.482 ======================= Grid point 347 (67/68) ======================= q-point: (-0.27 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -5.627 9.747 0.364) 11.260 2.533 ( -5.552 9.617 1.094) 11.159 2.741 ( -3.003 5.201 -2.275) 6.422 2.950 ( -3.055 5.292 -2.165) 6.483 3.037 ( 0.269 -0.465 -1.616) 1.703 3.152 ( 5.906 -10.230 -10.926) 16.091 3.401 ( 1.037 -1.796 -1.085) 2.341 3.578 ( 6.124 -10.607 -6.287) 13.767 3.610 ( -2.131 3.691 15.313) 15.895 4.000 ( 4.559 -7.897 19.501) 21.528 4.072 ( -2.207 3.823 -4.473) 6.284 4.525 ( 7.198 -12.467 -3.960) 14.931 4.870 ( -5.217 9.036 4.701) 11.444 4.989 ( -1.324 2.292 -9.481) 9.844 5.579 ( 3.010 -5.213 0.848) 6.078 5.639 ( 1.779 -3.081 -2.247) 4.208 6.022 ( -2.201 3.813 -3.743) 5.779 6.129 ( 3.908 -6.768 0.545) 7.834 6.518 ( 0.415 -0.719 4.902) 4.972 6.589 ( 2.517 -4.360 -8.142) 9.573 7.199 ( -1.168 2.022 -9.519) 9.801 7.322 ( -4.687 8.118 9.799) 13.561 7.458 ( -3.052 5.286 -4.727) 7.720 7.632 ( -0.537 0.931 0.205) 1.094 8.012 ( 0.879 -1.523 -0.195) 1.769 8.020 ( -7.170 12.420 1.192) 14.390 8.214 ( -3.870 6.703 4.521) 8.964 8.309 ( -0.278 0.482 0.532) 0.770 8.568 ( 1.108 -1.920 4.455) 4.976 8.577 ( 2.893 -5.010 6.327) 8.573 8.724 ( 0.752 -1.303 1.207) 1.929 8.963 ( -4.289 7.428 -3.026) 9.096 9.122 ( 8.696 -15.061 4.093) 17.866 9.402 ( 1.830 -3.169 -11.348) 11.924 9.489 ( 3.897 -6.751 2.122) 8.078 9.781 ( 3.153 -5.461 0.845) 6.362 11.088 ( -0.246 0.426 3.234) 3.271 11.531 ( -5.792 10.033 4.053) 12.273 11.649 ( -5.644 9.775 0.748) 11.312 11.778 ( -2.180 3.777 -1.251) 4.537 11.855 ( -1.640 2.840 -9.149) 9.719 12.027 ( 2.905 -5.032 -0.745) 5.858 12.200 ( -0.776 1.343 3.758) 4.065 12.497 ( 4.226 -7.320 0.538) 8.470 12.829 ( 0.313 -0.543 -0.620) 0.882 13.741 ( -5.009 8.676 0.511) 10.031 13.940 ( 2.028 -3.512 1.158) 4.217 14.127 ( 4.880 -8.452 -16.411) 19.094 14.604 ( -1.809 3.133 3.860) 5.291 14.652 ( -1.782 3.086 1.383) 3.822 14.968 ( 5.021 -8.697 18.830) 21.340 16.079 ( -1.880 3.257 -7.524) 8.412 16.339 ( -0.118 0.204 1.738) 1.754 16.492 ( 3.193 -5.531 -4.483) 7.802 ======================= Grid point 358 (68/68) ======================= q-point: (-0.36 0.64 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 1.97e-04 1.97e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 0.151 0.262 0.747) 0.806 2.557 ( 1.052 1.823 2.444) 3.225 2.875 ( 4.481 7.761 -9.579) 13.117 2.933 ( -0.302 -0.523 -5.614) 5.646 3.051 ( 5.124 8.875 -1.461) 10.352 3.173 ( 0.201 0.349 -5.191) 5.206 3.356 ( -4.430 -7.673 -5.823) 10.602 3.371 ( -5.725 -9.917 -2.721) 11.770 3.575 ( -3.002 -5.200 11.377) 12.864 3.950 ( 6.667 11.548 18.768) 23.023 4.254 ( -2.645 -4.581 -0.211) 5.294 4.263 ( -6.719 -11.637 6.501) 14.927 4.999 ( 6.800 11.778 1.412) 13.673 5.080 ( 2.671 4.627 -9.901) 11.250 5.484 ( -3.894 -6.745 -6.568) 10.188 5.561 ( -6.020 -10.428 5.695) 13.320 6.044 ( 1.139 1.973 -5.592) 6.038 6.074 ( -0.072 -0.125 -3.226) 3.229 6.515 ( 0.976 1.690 0.412) 1.995 6.541 ( -0.602 -1.043 -2.726) 2.980 7.217 ( 0.847 1.466 -7.873) 8.053 7.401 ( 2.461 4.262 6.328) 8.016 7.525 ( 5.278 9.143 -1.998) 10.744 7.689 ( -2.303 -3.989 -2.388) 5.188 7.943 ( -0.890 -1.542 -0.002) 1.781 8.184 ( 0.715 1.239 -3.378) 3.668 8.235 ( 2.558 4.431 3.088) 5.976 8.347 ( 0.155 0.269 -1.366) 1.401 8.503 ( 2.909 5.038 12.998) 14.241 8.626 ( -3.593 -6.223 13.136) 14.973 8.709 ( 1.227 2.124 -0.270) 2.468 8.894 ( -4.961 -8.593 4.464) 10.880 9.137 ( 3.805 6.590 -4.886) 9.044 9.263 ( 0.169 0.293 -5.746) 5.756 9.444 ( -5.998 -10.389 -5.292) 13.111 9.716 ( -0.542 -0.938 1.245) 1.650 11.094 ( 0.326 0.565 4.257) 4.306 11.672 ( 3.915 6.780 7.468) 10.820 11.747 ( 5.653 9.792 -3.187) 11.748 11.807 ( -0.457 -0.791 -0.343) 0.976 11.896 ( 0.530 0.918 -9.073) 9.135 11.963 ( -2.662 -4.610 -4.715) 7.111 12.270 ( -1.551 -2.686 1.847) 3.609 12.344 ( -3.306 -5.727 4.315) 7.896 12.824 ( -0.341 -0.591 0.284) 0.739 13.868 ( 1.162 2.012 -0.476) 2.371 13.897 ( -0.867 -1.502 -1.370) 2.210 14.000 ( -0.499 -0.865 -14.338) 14.373 14.640 ( 3.447 5.971 4.863) 8.437 14.697 ( 0.584 1.011 0.343) 1.217 14.868 ( -4.666 -8.082 19.517) 21.634 16.118 ( 1.753 3.037 -8.169) 8.890 16.364 ( -0.263 -0.456 -0.465) 0.702 16.407 ( -1.411 -2.444 -1.636) 3.261 =================== 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 3/32670 10.0 2318.617 2318.617 1186.684 -0.000 0.000 -0.000 3/32670 20.0 504.220 504.220 440.737 -0.000 0.000 -0.000 3/32670 30.0 193.081 193.081 175.388 0.000 0.000 -0.000 3/32670 40.0 102.814 102.814 95.172 0.000 0.000 -0.000 3/32670 50.0 63.596 63.596 59.560 0.000 0.000 -0.000 3/32670 60.0 43.175 43.175 40.734 0.000 0.000 -0.000 3/32670 70.0 31.354 31.354 29.717 0.000 0.000 -0.000 3/32670 80.0 23.972 23.972 22.788 0.000 0.000 -0.000 3/32670 90.0 19.082 19.082 18.176 0.000 0.000 -0.000 3/32670 100.0 15.683 15.683 14.962 0.000 0.000 -0.000 3/32670 110.0 13.225 13.225 12.633 0.000 0.000 -0.000 3/32670 120.0 11.389 11.389 10.890 0.000 0.000 -0.000 3/32670 130.0 9.977 9.977 9.549 0.000 0.000 -0.000 3/32670 140.0 8.865 8.865 8.491 0.000 0.000 -0.000 3/32670 150.0 7.971 7.971 7.640 0.000 0.000 -0.000 3/32670 160.0 7.239 7.239 6.943 0.000 0.000 -0.000 3/32670 170.0 6.630 6.630 6.363 0.000 0.000 -0.000 3/32670 180.0 6.116 6.116 5.873 0.000 0.000 -0.000 3/32670 190.0 5.678 5.678 5.454 0.000 0.000 -0.000 3/32670 200.0 5.299 5.299 5.093 0.000 0.000 -0.000 3/32670 210.0 4.970 4.970 4.778 0.000 0.000 -0.000 3/32670 220.0 4.680 4.680 4.501 0.000 0.000 -0.000 3/32670 230.0 4.423 4.423 4.255 0.000 0.000 -0.000 3/32670 240.0 4.194 4.194 4.036 0.000 0.000 -0.000 3/32670 250.0 3.988 3.988 3.839 0.000 0.000 -0.000 3/32670 260.0 3.803 3.803 3.661 0.000 0.000 -0.000 3/32670 270.0 3.634 3.634 3.500 0.000 0.000 -0.000 3/32670 280.0 3.481 3.481 3.353 0.000 0.000 -0.000 3/32670 290.0 3.340 3.340 3.218 0.000 0.000 -0.000 3/32670 300.0 3.211 3.211 3.094 0.000 0.000 -0.000 3/32670 310.0 3.092 3.092 2.979 0.000 0.000 -0.000 3/32670 320.0 2.981 2.981 2.874 0.000 0.000 -0.000 3/32670 330.0 2.879 2.879 2.775 0.000 0.000 -0.000 3/32670 340.0 2.784 2.784 2.684 0.000 0.000 -0.000 3/32670 350.0 2.695 2.695 2.598 0.000 0.000 -0.000 3/32670 360.0 2.611 2.611 2.518 0.000 0.000 -0.000 3/32670 370.0 2.533 2.533 2.443 0.000 0.000 -0.000 3/32670 380.0 2.460 2.460 2.373 0.000 0.000 -0.000 3/32670 390.0 2.391 2.391 2.306 0.000 0.000 -0.000 3/32670 400.0 2.325 2.325 2.243 0.000 0.000 -0.000 3/32670 410.0 2.264 2.264 2.184 0.000 0.000 -0.000 3/32670 420.0 2.205 2.205 2.128 0.000 0.000 -0.000 3/32670 430.0 2.150 2.150 2.075 0.000 0.000 -0.000 3/32670 440.0 2.097 2.097 2.024 0.000 0.000 -0.000 3/32670 450.0 2.047 2.047 1.976 0.000 0.000 -0.000 3/32670 460.0 2.000 2.000 1.930 0.000 0.000 -0.000 3/32670 470.0 1.954 1.954 1.886 0.000 0.000 -0.000 3/32670 480.0 1.911 1.911 1.845 0.000 0.000 -0.000 3/32670 490.0 1.870 1.870 1.805 0.000 0.000 -0.000 3/32670 500.0 1.830 1.830 1.767 0.000 0.000 -0.000 3/32670 510.0 1.792 1.792 1.730 0.000 0.000 -0.000 3/32670 520.0 1.756 1.756 1.695 0.000 0.000 -0.000 3/32670 530.0 1.721 1.721 1.662 0.000 0.000 -0.000 3/32670 540.0 1.688 1.688 1.629 0.000 0.000 -0.000 3/32670 550.0 1.656 1.656 1.598 0.000 0.000 -0.000 3/32670 560.0 1.625 1.625 1.569 0.000 0.000 -0.000 3/32670 570.0 1.595 1.595 1.540 0.000 0.000 -0.000 3/32670 580.0 1.566 1.566 1.512 0.000 0.000 -0.000 3/32670 590.0 1.538 1.538 1.486 0.000 0.000 -0.000 3/32670 600.0 1.512 1.512 1.460 0.000 0.000 -0.000 3/32670 610.0 1.486 1.486 1.435 0.000 0.000 -0.000 3/32670 620.0 1.461 1.461 1.411 0.000 0.000 -0.000 3/32670 630.0 1.437 1.437 1.388 0.000 0.000 -0.000 3/32670 640.0 1.414 1.414 1.365 0.000 0.000 -0.000 3/32670 650.0 1.391 1.391 1.344 0.000 0.000 -0.000 3/32670 660.0 1.370 1.370 1.323 0.000 0.000 -0.000 3/32670 670.0 1.348 1.348 1.302 0.000 0.000 -0.000 3/32670 680.0 1.328 1.328 1.283 0.000 0.000 -0.000 3/32670 690.0 1.308 1.308 1.263 0.000 0.000 -0.000 3/32670 700.0 1.289 1.289 1.245 0.000 0.000 -0.000 3/32670 710.0 1.270 1.270 1.227 0.000 0.000 -0.000 3/32670 720.0 1.252 1.252 1.209 0.000 0.000 -0.000 3/32670 730.0 1.235 1.235 1.192 0.000 0.000 -0.000 3/32670 740.0 1.217 1.217 1.176 0.000 0.000 -0.000 3/32670 750.0 1.201 1.201 1.160 0.000 0.000 -0.000 3/32670 760.0 1.185 1.185 1.144 0.000 0.000 -0.000 3/32670 770.0 1.169 1.169 1.129 0.000 0.000 -0.000 3/32670 780.0 1.153 1.153 1.114 0.000 0.000 -0.000 3/32670 790.0 1.139 1.139 1.100 0.000 0.000 -0.000 3/32670 800.0 1.124 1.124 1.086 0.000 0.000 -0.000 3/32670 810.0 1.110 1.110 1.072 0.000 0.000 -0.000 3/32670 820.0 1.096 1.096 1.059 0.000 0.000 -0.000 3/32670 830.0 1.082 1.082 1.046 0.000 0.000 -0.000 3/32670 840.0 1.069 1.069 1.033 0.000 0.000 -0.000 3/32670 850.0 1.057 1.057 1.021 0.000 0.000 -0.000 3/32670 860.0 1.044 1.044 1.009 0.000 0.000 -0.000 3/32670 870.0 1.032 1.032 0.997 0.000 0.000 -0.000 3/32670 880.0 1.020 1.020 0.985 0.000 0.000 -0.000 3/32670 890.0 1.008 1.008 0.974 0.000 0.000 -0.000 3/32670 900.0 0.997 0.997 0.963 0.000 0.000 -0.000 3/32670 910.0 0.986 0.986 0.952 0.000 0.000 -0.000 3/32670 920.0 0.975 0.975 0.942 0.000 0.000 -0.000 3/32670 930.0 0.964 0.964 0.931 0.000 0.000 -0.000 3/32670 940.0 0.954 0.954 0.921 0.000 0.000 -0.000 3/32670 950.0 0.943 0.943 0.911 0.000 0.000 -0.000 3/32670 960.0 0.933 0.933 0.902 0.000 0.000 -0.000 3/32670 970.0 0.924 0.924 0.892 0.000 0.000 -0.000 3/32670 980.0 0.914 0.914 0.883 0.000 0.000 -0.000 3/32670 990.0 0.905 0.905 0.874 0.000 0.000 -0.000 3/32670 1000.0 0.896 0.896 0.865 0.000 0.000 -0.000 3/32670 Thermal conductivity related properties were written into "kappa-m11115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:12:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|