----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:46:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.081195860000000 -7.890816635000000 0.000000000000000 b 2.081195860000000 7.890816635000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.000624029999999 Atomic positions (fractional): *1 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 2 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 *3 Cs 0.25677090747294 0.74322909252706 0.75000000000000 132.905 4 Cs 0.74322909252706 0.25677090747294 0.25000000000000 132.905 *5 Se 0.61991533733163 0.38008466266837 0.93629564820401 78.960 6 Se 0.38008466266837 0.61991533733162 0.06370435179599 78.960 7 Se 0.38008466266837 0.61991533733162 0.43629564820401 78.960 8 Se 0.61991533733163 0.38008466266837 0.56370435179599 78.960 *9 Se 0.94243061797831 0.05756938202169 0.75000000000000 78.960 10 Se 0.05756938202169 0.94243061797831 0.25000000000000 78.960 *11 Zn 0.53715001094728 0.46284998905272 0.75000000000000 65.380 12 Zn 0.46284998905272 0.53715001094728 0.25000000000000 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.162391720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.781633270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.000624029999999 Atomic positions (fractional): *1 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 1 2 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 2 3 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 1 4 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 > 2 *5 Cs 0.50000000000000 0.24322909252706 0.75000000000000 132.905 > 3 6 Cs 0.00000000000000 0.25677090747294 0.25000000000000 132.905 > 4 7 Cs 0.00000000000000 0.74322909252706 0.75000000000000 132.905 > 3 8 Cs 0.50000000000000 0.75677090747294 0.25000000000000 132.905 > 4 *9 Se 0.00000000000000 0.38008466266837 0.93629564820401 78.960 > 5 10 Se 0.50000000000000 0.11991533733163 0.06370435179599 78.960 > 6 11 Se 0.50000000000000 0.11991533733163 0.43629564820401 78.960 > 7 12 Se 0.00000000000000 0.38008466266837 0.56370435179599 78.960 > 8 *13 Se 0.00000000000000 0.05756938202169 0.75000000000000 78.960 > 9 14 Se 0.50000000000000 0.44243061797831 0.25000000000000 78.960 > 10 15 Se 0.50000000000000 0.88008466266838 0.93629564820401 78.960 > 5 16 Se 0.00000000000000 0.61991533733162 0.06370435179599 78.960 > 6 17 Se 0.00000000000000 0.61991533733162 0.43629564820401 78.960 > 7 18 Se 0.50000000000000 0.88008466266838 0.56370435179599 78.960 > 8 19 Se 0.50000000000000 0.55756938202169 0.75000000000000 78.960 > 9 20 Se 0.00000000000000 0.94243061797831 0.25000000000000 78.960 > 10 *21 Zn 0.00000000000000 0.46284998905272 0.75000000000000 65.380 > 11 22 Zn 0.50000000000000 0.03715001094728 0.25000000000000 65.380 > 12 23 Zn 0.50000000000000 0.96284998905272 0.75000000000000 65.380 > 11 24 Zn 0.00000000000000 0.53715001094728 0.25000000000000 65.380 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.487175160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.781633270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 22.001248059999998 Atomic positions (fractional): *1 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 1 2 Sm 0.33333333333333 0.00000000000000 0.00000000000000 150.360 > 1 3 Sm 0.66666666666667 0.00000000000000 0.00000000000000 150.360 > 1 4 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 1 5 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 1 6 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 1 7 Sm 0.00000000000000 0.00000000000000 0.25000000000000 150.360 > 2 8 Sm 0.33333333333333 0.00000000000000 0.25000000000000 150.360 > 2 9 Sm 0.66666666666667 0.00000000000000 0.25000000000000 150.360 > 2 10 Sm 0.00000000000000 0.00000000000000 0.75000000000000 150.360 > 2 11 Sm 0.33333333333333 0.00000000000000 0.75000000000000 150.360 > 2 12 Sm 0.66666666666667 0.00000000000000 0.75000000000000 150.360 > 2 13 Sm 0.16666666666667 0.50000000000000 0.00000000000000 150.360 > 1 14 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 1 15 Sm 0.83333333333333 0.50000000000000 0.00000000000000 150.360 > 1 16 Sm 0.16666666666667 0.50000000000000 0.50000000000000 150.360 > 1 17 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 > 1 18 Sm 0.83333333333333 0.50000000000000 0.50000000000000 150.360 > 1 19 Sm 0.16666666666667 0.50000000000000 0.25000000000000 150.360 > 2 20 Sm 0.50000000000000 0.50000000000000 0.25000000000000 150.360 > 2 21 Sm 0.83333333333333 0.50000000000000 0.25000000000000 150.360 > 2 22 Sm 0.16666666666667 0.50000000000000 0.75000000000000 150.360 > 2 23 Sm 0.50000000000000 0.50000000000000 0.75000000000000 150.360 > 2 24 Sm 0.83333333333333 0.50000000000000 0.75000000000000 150.360 > 2 *25 Cs 0.16666666666667 0.24322909252706 0.37500000000000 132.905 > 3 26 Cs 0.50000000000000 0.24322909252706 0.37500000000000 132.905 > 3 27 Cs 0.83333333333333 0.24322909252706 0.37500000000000 132.905 > 3 28 Cs 0.16666666666667 0.24322909252706 0.87500000000000 132.905 > 3 29 Cs 0.50000000000000 0.24322909252706 0.87500000000000 132.905 > 3 30 Cs 0.83333333333333 0.24322909252706 0.87500000000000 132.905 > 3 31 Cs 0.00000000000000 0.25677090747294 0.12500000000000 132.905 > 4 32 Cs 0.33333333333333 0.25677090747294 0.12500000000000 132.905 > 4 33 Cs 0.66666666666667 0.25677090747294 0.12500000000000 132.905 > 4 34 Cs 0.00000000000000 0.25677090747294 0.62500000000000 132.905 > 4 35 Cs 0.33333333333333 0.25677090747294 0.62500000000000 132.905 > 4 36 Cs 0.66666666666667 0.25677090747294 0.62500000000000 132.905 > 4 37 Cs 0.00000000000000 0.74322909252706 0.37500000000000 132.905 > 3 38 Cs 0.33333333333333 0.74322909252706 0.37500000000000 132.905 > 3 39 Cs 0.66666666666667 0.74322909252706 0.37500000000000 132.905 > 3 40 Cs 0.00000000000000 0.74322909252706 0.87500000000000 132.905 > 3 41 Cs 0.33333333333333 0.74322909252706 0.87500000000000 132.905 > 3 42 Cs 0.66666666666667 0.74322909252706 0.87500000000000 132.905 > 3 43 Cs 0.16666666666667 0.75677090747294 0.12500000000000 132.905 > 4 44 Cs 0.50000000000000 0.75677090747294 0.12500000000000 132.905 > 4 45 Cs 0.83333333333333 0.75677090747294 0.12500000000000 132.905 > 4 46 Cs 0.16666666666667 0.75677090747294 0.62500000000000 132.905 > 4 47 Cs 0.50000000000000 0.75677090747294 0.62500000000000 132.905 > 4 48 Cs 0.83333333333333 0.75677090747294 0.62500000000000 132.905 > 4 *49 Se 0.00000000000000 0.38008466266837 0.46814782410200 78.960 > 5 50 Se 0.33333333333333 0.38008466266837 0.46814782410200 78.960 > 5 51 Se 0.66666666666667 0.38008466266837 0.46814782410200 78.960 > 5 52 Se 0.00000000000000 0.38008466266837 0.96814782410200 78.960 > 5 53 Se 0.33333333333333 0.38008466266837 0.96814782410200 78.960 > 5 54 Se 0.66666666666667 0.38008466266837 0.96814782410200 78.960 > 5 55 Se 0.16666666666667 0.11991533733163 0.03185217589800 78.960 > 6 56 Se 0.50000000000000 0.11991533733163 0.03185217589800 78.960 > 6 57 Se 0.83333333333333 0.11991533733163 0.03185217589800 78.960 > 6 58 Se 0.16666666666667 0.11991533733163 0.53185217589800 78.960 > 6 59 Se 0.50000000000000 0.11991533733163 0.53185217589800 78.960 > 6 60 Se 0.83333333333333 0.11991533733163 0.53185217589800 78.960 > 6 61 Se 0.16666666666667 0.11991533733163 0.21814782410200 78.960 > 7 62 Se 0.50000000000000 0.11991533733163 0.21814782410200 78.960 > 7 63 Se 0.83333333333333 0.11991533733163 0.21814782410200 78.960 > 7 64 Se 0.16666666666667 0.11991533733163 0.71814782410200 78.960 > 7 65 Se 0.50000000000000 0.11991533733163 0.71814782410200 78.960 > 7 66 Se 0.83333333333333 0.11991533733163 0.71814782410200 78.960 > 7 67 Se 0.00000000000000 0.38008466266837 0.28185217589800 78.960 > 8 68 Se 0.33333333333333 0.38008466266837 0.28185217589800 78.960 > 8 69 Se 0.66666666666667 0.38008466266837 0.28185217589800 78.960 > 8 70 Se 0.00000000000000 0.38008466266837 0.78185217589800 78.960 > 8 71 Se 0.33333333333333 0.38008466266837 0.78185217589800 78.960 > 8 72 Se 0.66666666666667 0.38008466266837 0.78185217589800 78.960 > 8 *73 Se 0.00000000000000 0.05756938202169 0.37500000000000 78.960 > 9 74 Se 0.33333333333333 0.05756938202169 0.37500000000000 78.960 > 9 75 Se 0.66666666666667 0.05756938202169 0.37500000000000 78.960 > 9 76 Se 0.00000000000000 0.05756938202169 0.87500000000000 78.960 > 9 77 Se 0.33333333333333 0.05756938202169 0.87500000000000 78.960 > 9 78 Se 0.66666666666667 0.05756938202169 0.87500000000000 78.960 > 9 79 Se 0.16666666666667 0.44243061797831 0.12500000000000 78.960 > 10 80 Se 0.50000000000000 0.44243061797831 0.12500000000000 78.960 > 10 81 Se 0.83333333333333 0.44243061797831 0.12500000000000 78.960 > 10 82 Se 0.16666666666667 0.44243061797831 0.62500000000000 78.960 > 10 83 Se 0.50000000000000 0.44243061797831 0.62500000000000 78.960 > 10 84 Se 0.83333333333333 0.44243061797831 0.62500000000000 78.960 > 10 85 Se 0.16666666666667 0.88008466266838 0.46814782410200 78.960 > 5 86 Se 0.50000000000000 0.88008466266838 0.46814782410200 78.960 > 5 87 Se 0.83333333333333 0.88008466266838 0.46814782410200 78.960 > 5 88 Se 0.16666666666667 0.88008466266838 0.96814782410200 78.960 > 5 89 Se 0.50000000000000 0.88008466266838 0.96814782410200 78.960 > 5 90 Se 0.83333333333333 0.88008466266838 0.96814782410200 78.960 > 5 91 Se 0.00000000000000 0.61991533733162 0.03185217589800 78.960 > 6 92 Se 0.33333333333333 0.61991533733162 0.03185217589800 78.960 > 6 93 Se 0.66666666666667 0.61991533733162 0.03185217589800 78.960 > 6 94 Se 0.00000000000000 0.61991533733162 0.53185217589800 78.960 > 6 95 Se 0.33333333333333 0.61991533733162 0.53185217589800 78.960 > 6 96 Se 0.66666666666667 0.61991533733162 0.53185217589800 78.960 > 6 97 Se 0.00000000000000 0.61991533733162 0.21814782410200 78.960 > 7 98 Se 0.33333333333333 0.61991533733162 0.21814782410200 78.960 > 7 99 Se 0.66666666666667 0.61991533733162 0.21814782410200 78.960 > 7 100 Se 0.00000000000000 0.61991533733162 0.71814782410200 78.960 > 7 101 Se 0.33333333333333 0.61991533733162 0.71814782410200 78.960 > 7 102 Se 0.66666666666667 0.61991533733162 0.71814782410200 78.960 > 7 103 Se 0.16666666666667 0.88008466266838 0.28185217589800 78.960 > 8 104 Se 0.50000000000000 0.88008466266838 0.28185217589800 78.960 > 8 105 Se 0.83333333333333 0.88008466266838 0.28185217589800 78.960 > 8 106 Se 0.16666666666667 0.88008466266838 0.78185217589800 78.960 > 8 107 Se 0.50000000000000 0.88008466266838 0.78185217589800 78.960 > 8 108 Se 0.83333333333333 0.88008466266838 0.78185217589800 78.960 > 8 109 Se 0.16666666666667 0.55756938202169 0.37500000000000 78.960 > 9 110 Se 0.50000000000000 0.55756938202169 0.37500000000000 78.960 > 9 111 Se 0.83333333333333 0.55756938202169 0.37500000000000 78.960 > 9 112 Se 0.16666666666667 0.55756938202169 0.87500000000000 78.960 > 9 113 Se 0.50000000000000 0.55756938202169 0.87500000000000 78.960 > 9 114 Se 0.83333333333333 0.55756938202169 0.87500000000000 78.960 > 9 115 Se 0.00000000000000 0.94243061797831 0.12500000000000 78.960 > 10 116 Se 0.33333333333333 0.94243061797831 0.12500000000000 78.960 > 10 117 Se 0.66666666666667 0.94243061797831 0.12500000000000 78.960 > 10 118 Se 0.00000000000000 0.94243061797831 0.62500000000000 78.960 > 10 119 Se 0.33333333333333 0.94243061797831 0.62500000000000 78.960 > 10 120 Se 0.66666666666667 0.94243061797831 0.62500000000000 78.960 > 10 *121 Zn 0.00000000000000 0.46284998905272 0.37500000000000 65.380 > 11 122 Zn 0.33333333333333 0.46284998905272 0.37500000000000 65.380 > 11 123 Zn 0.66666666666667 0.46284998905272 0.37500000000000 65.380 > 11 124 Zn 0.00000000000000 0.46284998905272 0.87500000000000 65.380 > 11 125 Zn 0.33333333333333 0.46284998905272 0.87500000000000 65.380 > 11 126 Zn 0.66666666666667 0.46284998905272 0.87500000000000 65.380 > 11 127 Zn 0.16666666666667 0.03715001094728 0.12500000000000 65.380 > 12 128 Zn 0.50000000000000 0.03715001094728 0.12500000000000 65.380 > 12 129 Zn 0.83333333333333 0.03715001094728 0.12500000000000 65.380 > 12 130 Zn 0.16666666666667 0.03715001094728 0.62500000000000 65.380 > 12 131 Zn 0.50000000000000 0.03715001094728 0.62500000000000 65.380 > 12 132 Zn 0.83333333333333 0.03715001094728 0.62500000000000 65.380 > 12 133 Zn 0.16666666666667 0.96284998905272 0.37500000000000 65.380 > 11 134 Zn 0.50000000000000 0.96284998905272 0.37500000000000 65.380 > 11 135 Zn 0.83333333333333 0.96284998905272 0.37500000000000 65.380 > 11 136 Zn 0.16666666666667 0.96284998905272 0.87500000000000 65.380 > 11 137 Zn 0.50000000000000 0.96284998905272 0.87500000000000 65.380 > 11 138 Zn 0.83333333333333 0.96284998905272 0.87500000000000 65.380 > 11 139 Zn 0.00000000000000 0.53715001094728 0.12500000000000 65.380 > 12 140 Zn 0.33333333333333 0.53715001094728 0.12500000000000 65.380 > 12 141 Zn 0.66666666666667 0.53715001094728 0.12500000000000 65.380 > 12 142 Zn 0.00000000000000 0.53715001094728 0.62500000000000 65.380 > 12 143 Zn 0.33333333333333 0.53715001094728 0.62500000000000 65.380 > 12 144 Zn 0.66666666666667 0.53715001094728 0.62500000000000 65.380 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9268074 0.0000000 0.0000000 0.0000000 4.5672089 0.0000000 0.0000000 0.0000000 6.6045584 -------------------------- Born effective charges -------------------------- 1 Sm 4.9812857 0.0000000 0.0000000 0.0000000 1.6668716 0.3982302 0.0000000 0.6092189 4.8982407 2 Sm 4.9812857 0.0000000 0.0000000 0.0000000 1.6668716 -0.3982302 0.0000000 -0.6092189 4.8982407 3 Cs 1.2169676 0.0000000 0.0000000 0.0000000 1.9742773 0.0000000 0.0000000 0.0000000 1.2845453 4 Cs 1.2169676 0.0000000 0.0000000 0.0000000 1.9742773 0.0000000 0.0000000 0.0000000 1.2845453 5 Se -2.9181503 0.0000000 0.0000000 0.0000000 -1.6252992 -0.0827441 0.0000000 -0.1904462 -2.2530680 6 Se -2.9181503 0.0000000 0.0000000 0.0000000 -1.6252992 -0.0827441 0.0000000 -0.1904462 -2.2530680 7 Se -2.9181503 0.0000000 0.0000000 0.0000000 -1.6252992 0.0827441 0.0000000 0.1904462 -2.2530680 8 Se -2.9181503 0.0000000 0.0000000 0.0000000 -1.6252992 0.0827441 0.0000000 0.1904462 -2.2530680 9 Se -2.3636630 0.0000000 0.0000000 0.0000000 -1.1430090 0.0000000 0.0000000 0.0000000 -3.5125884 10 Se -2.3636630 0.0000000 0.0000000 0.0000000 -1.1430090 0.0000000 0.0000000 0.0000000 -3.5125884 11 Zn 2.0017104 0.0000000 0.0000000 0.0000000 0.7524585 0.0000000 0.0000000 0.0000000 1.8359383 12 Zn 2.0017104 0.0000000 0.0000000 0.0000000 0.7524585 0.0000000 0.0000000 0.0000000 1.8359383 ---------------------------------------------------------------------------- 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: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 1.680 Solver_block: 200 / 240 - Time: 1.632 Solver_block: 240 / 240 - Time: 0.732 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.072 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:46:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:46:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.081195860000000 -7.890816635000000 0.000000000000000 b 2.081195860000000 7.890816635000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.000624029999999 Atomic positions (fractional): 1 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 2 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 3 Cs 0.25677090747294 0.74322909252706 0.75000000000000 132.905 4 Cs 0.74322909252706 0.25677090747294 0.25000000000000 132.905 5 Se 0.61991533733163 0.38008466266837 0.93629564820401 78.960 6 Se 0.38008466266837 0.61991533733162 0.06370435179599 78.960 7 Se 0.38008466266837 0.61991533733162 0.43629564820401 78.960 8 Se 0.61991533733163 0.38008466266837 0.56370435179599 78.960 9 Se 0.94243061797831 0.05756938202169 0.75000000000000 78.960 10 Se 0.05756938202169 0.94243061797831 0.25000000000000 78.960 11 Zn 0.53715001094728 0.46284998905272 0.75000000000000 65.380 12 Zn 0.46284998905272 0.53715001094728 0.25000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.487175160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.781633270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 22.001248059999998 Atomic positions (fractional): 1 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 1 2 Sm 0.33333333333333 0.00000000000000 0.00000000000000 150.360 > 1 3 Sm 0.66666666666667 0.00000000000000 0.00000000000000 150.360 > 1 4 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 1 5 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 1 6 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 1 7 Sm 0.00000000000000 0.00000000000000 0.25000000000000 150.360 > 7 8 Sm 0.33333333333333 0.00000000000000 0.25000000000000 150.360 > 7 9 Sm 0.66666666666667 0.00000000000000 0.25000000000000 150.360 > 7 10 Sm 0.00000000000000 0.00000000000000 0.75000000000000 150.360 > 7 11 Sm 0.33333333333333 0.00000000000000 0.75000000000000 150.360 > 7 12 Sm 0.66666666666667 0.00000000000000 0.75000000000000 150.360 > 7 13 Sm 0.16666666666667 0.50000000000000 0.00000000000000 150.360 > 1 14 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 1 15 Sm 0.83333333333333 0.50000000000000 0.00000000000000 150.360 > 1 16 Sm 0.16666666666667 0.50000000000000 0.50000000000000 150.360 > 1 17 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 > 1 18 Sm 0.83333333333333 0.50000000000000 0.50000000000000 150.360 > 1 19 Sm 0.16666666666667 0.50000000000000 0.25000000000000 150.360 > 7 20 Sm 0.50000000000000 0.50000000000000 0.25000000000000 150.360 > 7 21 Sm 0.83333333333333 0.50000000000000 0.25000000000000 150.360 > 7 22 Sm 0.16666666666667 0.50000000000000 0.75000000000000 150.360 > 7 23 Sm 0.50000000000000 0.50000000000000 0.75000000000000 150.360 > 7 24 Sm 0.83333333333333 0.50000000000000 0.75000000000000 150.360 > 7 25 Cs 0.16666666666667 0.24322909252706 0.37500000000000 132.905 > 25 26 Cs 0.50000000000000 0.24322909252706 0.37500000000000 132.905 > 25 27 Cs 0.83333333333333 0.24322909252706 0.37500000000000 132.905 > 25 28 Cs 0.16666666666667 0.24322909252706 0.87500000000000 132.905 > 25 29 Cs 0.50000000000000 0.24322909252706 0.87500000000000 132.905 > 25 30 Cs 0.83333333333333 0.24322909252706 0.87500000000000 132.905 > 25 31 Cs 0.00000000000000 0.25677090747294 0.12500000000000 132.905 > 31 32 Cs 0.33333333333333 0.25677090747294 0.12500000000000 132.905 > 31 33 Cs 0.66666666666667 0.25677090747294 0.12500000000000 132.905 > 31 34 Cs 0.00000000000000 0.25677090747294 0.62500000000000 132.905 > 31 35 Cs 0.33333333333333 0.25677090747294 0.62500000000000 132.905 > 31 36 Cs 0.66666666666667 0.25677090747294 0.62500000000000 132.905 > 31 37 Cs 0.00000000000000 0.74322909252706 0.37500000000000 132.905 > 25 38 Cs 0.33333333333333 0.74322909252706 0.37500000000000 132.905 > 25 39 Cs 0.66666666666667 0.74322909252706 0.37500000000000 132.905 > 25 40 Cs 0.00000000000000 0.74322909252706 0.87500000000000 132.905 > 25 41 Cs 0.33333333333333 0.74322909252706 0.87500000000000 132.905 > 25 42 Cs 0.66666666666667 0.74322909252706 0.87500000000000 132.905 > 25 43 Cs 0.16666666666667 0.75677090747294 0.12500000000000 132.905 > 31 44 Cs 0.50000000000000 0.75677090747294 0.12500000000000 132.905 > 31 45 Cs 0.83333333333333 0.75677090747294 0.12500000000000 132.905 > 31 46 Cs 0.16666666666667 0.75677090747294 0.62500000000000 132.905 > 31 47 Cs 0.50000000000000 0.75677090747294 0.62500000000000 132.905 > 31 48 Cs 0.83333333333333 0.75677090747294 0.62500000000000 132.905 > 31 49 Se 0.00000000000000 0.38008466266837 0.46814782410200 78.960 > 49 50 Se 0.33333333333333 0.38008466266837 0.46814782410200 78.960 > 49 51 Se 0.66666666666667 0.38008466266837 0.46814782410200 78.960 > 49 52 Se 0.00000000000000 0.38008466266837 0.96814782410200 78.960 > 49 53 Se 0.33333333333333 0.38008466266837 0.96814782410200 78.960 > 49 54 Se 0.66666666666667 0.38008466266837 0.96814782410200 78.960 > 49 55 Se 0.16666666666667 0.11991533733163 0.03185217589800 78.960 > 55 56 Se 0.50000000000000 0.11991533733163 0.03185217589800 78.960 > 55 57 Se 0.83333333333333 0.11991533733163 0.03185217589800 78.960 > 55 58 Se 0.16666666666667 0.11991533733163 0.53185217589800 78.960 > 55 59 Se 0.50000000000000 0.11991533733163 0.53185217589800 78.960 > 55 60 Se 0.83333333333333 0.11991533733163 0.53185217589800 78.960 > 55 61 Se 0.16666666666667 0.11991533733163 0.21814782410200 78.960 > 61 62 Se 0.50000000000000 0.11991533733163 0.21814782410200 78.960 > 61 63 Se 0.83333333333333 0.11991533733163 0.21814782410200 78.960 > 61 64 Se 0.16666666666667 0.11991533733163 0.71814782410200 78.960 > 61 65 Se 0.50000000000000 0.11991533733163 0.71814782410200 78.960 > 61 66 Se 0.83333333333333 0.11991533733163 0.71814782410200 78.960 > 61 67 Se 0.00000000000000 0.38008466266837 0.28185217589800 78.960 > 67 68 Se 0.33333333333333 0.38008466266837 0.28185217589800 78.960 > 67 69 Se 0.66666666666667 0.38008466266837 0.28185217589800 78.960 > 67 70 Se 0.00000000000000 0.38008466266837 0.78185217589800 78.960 > 67 71 Se 0.33333333333333 0.38008466266837 0.78185217589800 78.960 > 67 72 Se 0.66666666666667 0.38008466266837 0.78185217589800 78.960 > 67 73 Se 0.00000000000000 0.05756938202169 0.37500000000000 78.960 > 73 74 Se 0.33333333333333 0.05756938202169 0.37500000000000 78.960 > 73 75 Se 0.66666666666667 0.05756938202169 0.37500000000000 78.960 > 73 76 Se 0.00000000000000 0.05756938202169 0.87500000000000 78.960 > 73 77 Se 0.33333333333333 0.05756938202169 0.87500000000000 78.960 > 73 78 Se 0.66666666666667 0.05756938202169 0.87500000000000 78.960 > 73 79 Se 0.16666666666667 0.44243061797831 0.12500000000000 78.960 > 79 80 Se 0.50000000000000 0.44243061797831 0.12500000000000 78.960 > 79 81 Se 0.83333333333333 0.44243061797831 0.12500000000000 78.960 > 79 82 Se 0.16666666666667 0.44243061797831 0.62500000000000 78.960 > 79 83 Se 0.50000000000000 0.44243061797831 0.62500000000000 78.960 > 79 84 Se 0.83333333333333 0.44243061797831 0.62500000000000 78.960 > 79 85 Se 0.16666666666667 0.88008466266838 0.46814782410200 78.960 > 49 86 Se 0.50000000000000 0.88008466266838 0.46814782410200 78.960 > 49 87 Se 0.83333333333333 0.88008466266838 0.46814782410200 78.960 > 49 88 Se 0.16666666666667 0.88008466266838 0.96814782410200 78.960 > 49 89 Se 0.50000000000000 0.88008466266838 0.96814782410200 78.960 > 49 90 Se 0.83333333333333 0.88008466266838 0.96814782410200 78.960 > 49 91 Se 0.00000000000000 0.61991533733162 0.03185217589800 78.960 > 55 92 Se 0.33333333333333 0.61991533733162 0.03185217589800 78.960 > 55 93 Se 0.66666666666667 0.61991533733162 0.03185217589800 78.960 > 55 94 Se 0.00000000000000 0.61991533733162 0.53185217589800 78.960 > 55 95 Se 0.33333333333333 0.61991533733162 0.53185217589800 78.960 > 55 96 Se 0.66666666666667 0.61991533733162 0.53185217589800 78.960 > 55 97 Se 0.00000000000000 0.61991533733162 0.21814782410200 78.960 > 61 98 Se 0.33333333333333 0.61991533733162 0.21814782410200 78.960 > 61 99 Se 0.66666666666667 0.61991533733162 0.21814782410200 78.960 > 61 100 Se 0.00000000000000 0.61991533733162 0.71814782410200 78.960 > 61 101 Se 0.33333333333333 0.61991533733162 0.71814782410200 78.960 > 61 102 Se 0.66666666666667 0.61991533733162 0.71814782410200 78.960 > 61 103 Se 0.16666666666667 0.88008466266838 0.28185217589800 78.960 > 67 104 Se 0.50000000000000 0.88008466266838 0.28185217589800 78.960 > 67 105 Se 0.83333333333333 0.88008466266838 0.28185217589800 78.960 > 67 106 Se 0.16666666666667 0.88008466266838 0.78185217589800 78.960 > 67 107 Se 0.50000000000000 0.88008466266838 0.78185217589800 78.960 > 67 108 Se 0.83333333333333 0.88008466266838 0.78185217589800 78.960 > 67 109 Se 0.16666666666667 0.55756938202169 0.37500000000000 78.960 > 73 110 Se 0.50000000000000 0.55756938202169 0.37500000000000 78.960 > 73 111 Se 0.83333333333333 0.55756938202169 0.37500000000000 78.960 > 73 112 Se 0.16666666666667 0.55756938202169 0.87500000000000 78.960 > 73 113 Se 0.50000000000000 0.55756938202169 0.87500000000000 78.960 > 73 114 Se 0.83333333333333 0.55756938202169 0.87500000000000 78.960 > 73 115 Se 0.00000000000000 0.94243061797831 0.12500000000000 78.960 > 79 116 Se 0.33333333333333 0.94243061797831 0.12500000000000 78.960 > 79 117 Se 0.66666666666667 0.94243061797831 0.12500000000000 78.960 > 79 118 Se 0.00000000000000 0.94243061797831 0.62500000000000 78.960 > 79 119 Se 0.33333333333333 0.94243061797831 0.62500000000000 78.960 > 79 120 Se 0.66666666666667 0.94243061797831 0.62500000000000 78.960 > 79 121 Zn 0.00000000000000 0.46284998905272 0.37500000000000 65.380 > 121 122 Zn 0.33333333333333 0.46284998905272 0.37500000000000 65.380 > 121 123 Zn 0.66666666666667 0.46284998905272 0.37500000000000 65.380 > 121 124 Zn 0.00000000000000 0.46284998905272 0.87500000000000 65.380 > 121 125 Zn 0.33333333333333 0.46284998905272 0.87500000000000 65.380 > 121 126 Zn 0.66666666666667 0.46284998905272 0.87500000000000 65.380 > 121 127 Zn 0.16666666666667 0.03715001094728 0.12500000000000 65.380 > 127 128 Zn 0.50000000000000 0.03715001094728 0.12500000000000 65.380 > 127 129 Zn 0.83333333333333 0.03715001094728 0.12500000000000 65.380 > 127 130 Zn 0.16666666666667 0.03715001094728 0.62500000000000 65.380 > 127 131 Zn 0.50000000000000 0.03715001094728 0.62500000000000 65.380 > 127 132 Zn 0.83333333333333 0.03715001094728 0.62500000000000 65.380 > 127 133 Zn 0.16666666666667 0.96284998905272 0.37500000000000 65.380 > 121 134 Zn 0.50000000000000 0.96284998905272 0.37500000000000 65.380 > 121 135 Zn 0.83333333333333 0.96284998905272 0.37500000000000 65.380 > 121 136 Zn 0.16666666666667 0.96284998905272 0.87500000000000 65.380 > 121 137 Zn 0.50000000000000 0.96284998905272 0.87500000000000 65.380 > 121 138 Zn 0.83333333333333 0.96284998905272 0.87500000000000 65.380 > 121 139 Zn 0.00000000000000 0.53715001094728 0.12500000000000 65.380 > 127 140 Zn 0.33333333333333 0.53715001094728 0.12500000000000 65.380 > 127 141 Zn 0.66666666666667 0.53715001094728 0.12500000000000 65.380 > 127 142 Zn 0.00000000000000 0.53715001094728 0.62500000000000 65.380 > 127 143 Zn 0.33333333333333 0.53715001094728 0.62500000000000 65.380 > 127 144 Zn 0.66666666666667 0.53715001094728 0.62500000000000 65.380 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9268074 0.0000000 0.0000000 0.0000000 4.5672089 0.0000000 0.0000000 0.0000000 6.6045584 -------------------------- Born effective charges -------------------------- 1 Sm 4.9812857 0.0000000 0.0000000 0.0000000 1.6668716 0.3982302 0.0000000 0.6092189 4.8982407 2 Sm 4.9812857 0.0000000 0.0000000 0.0000000 1.6668716 -0.3982302 0.0000000 -0.6092189 4.8982407 3 Cs 1.2169676 0.0000000 0.0000000 0.0000000 1.9742773 0.0000000 0.0000000 0.0000000 1.2845453 4 Cs 1.2169676 0.0000000 0.0000000 0.0000000 1.9742773 0.0000000 0.0000000 0.0000000 1.2845453 5 Se -2.9181503 0.0000000 0.0000000 0.0000000 -1.6252992 -0.0827441 0.0000000 -0.1904462 -2.2530680 6 Se -2.9181503 0.0000000 0.0000000 0.0000000 -1.6252992 -0.0827441 0.0000000 -0.1904462 -2.2530680 7 Se -2.9181503 0.0000000 0.0000000 0.0000000 -1.6252992 0.0827441 0.0000000 0.1904462 -2.2530680 8 Se -2.9181503 0.0000000 0.0000000 0.0000000 -1.6252992 0.0827441 0.0000000 0.1904462 -2.2530680 9 Se -2.3636630 0.0000000 0.0000000 0.0000000 -1.1430090 0.0000000 0.0000000 0.0000000 -3.5125884 10 Se -2.3636630 0.0000000 0.0000000 0.0000000 -1.1430090 0.0000000 0.0000000 0.0000000 -3.5125884 11 Zn 2.0017104 0.0000000 0.0000000 0.0000000 0.7524585 0.0000000 0.0000000 0.0000000 1.8359383 12 Zn 2.0017104 0.0000000 0.0000000 0.0000000 0.7524585 0.0000000 0.0000000 0.0000000 1.8359383 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:46:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:46:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.081195860000000 -7.890816635000000 0.000000000000000 b 2.081195860000000 7.890816635000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.000624029999999 Atomic positions (fractional): 1 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 2 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 3 Cs 0.25677090747294 0.74322909252706 0.75000000000000 132.905 4 Cs 0.74322909252706 0.25677090747294 0.25000000000000 132.905 5 Se 0.61991533733163 0.38008466266837 0.93629564820401 78.960 6 Se 0.38008466266837 0.61991533733162 0.06370435179599 78.960 7 Se 0.38008466266837 0.61991533733162 0.43629564820401 78.960 8 Se 0.61991533733163 0.38008466266837 0.56370435179599 78.960 9 Se 0.94243061797831 0.05756938202169 0.75000000000000 78.960 10 Se 0.05756938202169 0.94243061797831 0.25000000000000 78.960 11 Zn 0.53715001094728 0.46284998905272 0.75000000000000 65.380 12 Zn 0.46284998905272 0.53715001094728 0.25000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.487175160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.781633270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 22.001248059999998 Atomic positions (fractional): 1 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 1 2 Sm 0.33333333333333 0.00000000000000 0.00000000000000 150.360 > 1 3 Sm 0.66666666666667 0.00000000000000 0.00000000000000 150.360 > 1 4 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 1 5 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 1 6 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 1 7 Sm 0.00000000000000 0.00000000000000 0.25000000000000 150.360 > 7 8 Sm 0.33333333333333 0.00000000000000 0.25000000000000 150.360 > 7 9 Sm 0.66666666666667 0.00000000000000 0.25000000000000 150.360 > 7 10 Sm 0.00000000000000 0.00000000000000 0.75000000000000 150.360 > 7 11 Sm 0.33333333333333 0.00000000000000 0.75000000000000 150.360 > 7 12 Sm 0.66666666666667 0.00000000000000 0.75000000000000 150.360 > 7 13 Sm 0.16666666666667 0.50000000000000 0.00000000000000 150.360 > 1 14 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 1 15 Sm 0.83333333333333 0.50000000000000 0.00000000000000 150.360 > 1 16 Sm 0.16666666666667 0.50000000000000 0.50000000000000 150.360 > 1 17 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 > 1 18 Sm 0.83333333333333 0.50000000000000 0.50000000000000 150.360 > 1 19 Sm 0.16666666666667 0.50000000000000 0.25000000000000 150.360 > 7 20 Sm 0.50000000000000 0.50000000000000 0.25000000000000 150.360 > 7 21 Sm 0.83333333333333 0.50000000000000 0.25000000000000 150.360 > 7 22 Sm 0.16666666666667 0.50000000000000 0.75000000000000 150.360 > 7 23 Sm 0.50000000000000 0.50000000000000 0.75000000000000 150.360 > 7 24 Sm 0.83333333333333 0.50000000000000 0.75000000000000 150.360 > 7 25 Cs 0.16666666666667 0.24322909252706 0.37500000000000 132.905 > 25 26 Cs 0.50000000000000 0.24322909252706 0.37500000000000 132.905 > 25 27 Cs 0.83333333333333 0.24322909252706 0.37500000000000 132.905 > 25 28 Cs 0.16666666666667 0.24322909252706 0.87500000000000 132.905 > 25 29 Cs 0.50000000000000 0.24322909252706 0.87500000000000 132.905 > 25 30 Cs 0.83333333333333 0.24322909252706 0.87500000000000 132.905 > 25 31 Cs 0.00000000000000 0.25677090747294 0.12500000000000 132.905 > 31 32 Cs 0.33333333333333 0.25677090747294 0.12500000000000 132.905 > 31 33 Cs 0.66666666666667 0.25677090747294 0.12500000000000 132.905 > 31 34 Cs 0.00000000000000 0.25677090747294 0.62500000000000 132.905 > 31 35 Cs 0.33333333333333 0.25677090747294 0.62500000000000 132.905 > 31 36 Cs 0.66666666666667 0.25677090747294 0.62500000000000 132.905 > 31 37 Cs 0.00000000000000 0.74322909252706 0.37500000000000 132.905 > 25 38 Cs 0.33333333333333 0.74322909252706 0.37500000000000 132.905 > 25 39 Cs 0.66666666666667 0.74322909252706 0.37500000000000 132.905 > 25 40 Cs 0.00000000000000 0.74322909252706 0.87500000000000 132.905 > 25 41 Cs 0.33333333333333 0.74322909252706 0.87500000000000 132.905 > 25 42 Cs 0.66666666666667 0.74322909252706 0.87500000000000 132.905 > 25 43 Cs 0.16666666666667 0.75677090747294 0.12500000000000 132.905 > 31 44 Cs 0.50000000000000 0.75677090747294 0.12500000000000 132.905 > 31 45 Cs 0.83333333333333 0.75677090747294 0.12500000000000 132.905 > 31 46 Cs 0.16666666666667 0.75677090747294 0.62500000000000 132.905 > 31 47 Cs 0.50000000000000 0.75677090747294 0.62500000000000 132.905 > 31 48 Cs 0.83333333333333 0.75677090747294 0.62500000000000 132.905 > 31 49 Se 0.00000000000000 0.38008466266837 0.46814782410200 78.960 > 49 50 Se 0.33333333333333 0.38008466266837 0.46814782410200 78.960 > 49 51 Se 0.66666666666667 0.38008466266837 0.46814782410200 78.960 > 49 52 Se 0.00000000000000 0.38008466266837 0.96814782410200 78.960 > 49 53 Se 0.33333333333333 0.38008466266837 0.96814782410200 78.960 > 49 54 Se 0.66666666666667 0.38008466266837 0.96814782410200 78.960 > 49 55 Se 0.16666666666667 0.11991533733163 0.03185217589800 78.960 > 55 56 Se 0.50000000000000 0.11991533733163 0.03185217589800 78.960 > 55 57 Se 0.83333333333333 0.11991533733163 0.03185217589800 78.960 > 55 58 Se 0.16666666666667 0.11991533733163 0.53185217589800 78.960 > 55 59 Se 0.50000000000000 0.11991533733163 0.53185217589800 78.960 > 55 60 Se 0.83333333333333 0.11991533733163 0.53185217589800 78.960 > 55 61 Se 0.16666666666667 0.11991533733163 0.21814782410200 78.960 > 61 62 Se 0.50000000000000 0.11991533733163 0.21814782410200 78.960 > 61 63 Se 0.83333333333333 0.11991533733163 0.21814782410200 78.960 > 61 64 Se 0.16666666666667 0.11991533733163 0.71814782410200 78.960 > 61 65 Se 0.50000000000000 0.11991533733163 0.71814782410200 78.960 > 61 66 Se 0.83333333333333 0.11991533733163 0.71814782410200 78.960 > 61 67 Se 0.00000000000000 0.38008466266837 0.28185217589800 78.960 > 67 68 Se 0.33333333333333 0.38008466266837 0.28185217589800 78.960 > 67 69 Se 0.66666666666667 0.38008466266837 0.28185217589800 78.960 > 67 70 Se 0.00000000000000 0.38008466266837 0.78185217589800 78.960 > 67 71 Se 0.33333333333333 0.38008466266837 0.78185217589800 78.960 > 67 72 Se 0.66666666666667 0.38008466266837 0.78185217589800 78.960 > 67 73 Se 0.00000000000000 0.05756938202169 0.37500000000000 78.960 > 73 74 Se 0.33333333333333 0.05756938202169 0.37500000000000 78.960 > 73 75 Se 0.66666666666667 0.05756938202169 0.37500000000000 78.960 > 73 76 Se 0.00000000000000 0.05756938202169 0.87500000000000 78.960 > 73 77 Se 0.33333333333333 0.05756938202169 0.87500000000000 78.960 > 73 78 Se 0.66666666666667 0.05756938202169 0.87500000000000 78.960 > 73 79 Se 0.16666666666667 0.44243061797831 0.12500000000000 78.960 > 79 80 Se 0.50000000000000 0.44243061797831 0.12500000000000 78.960 > 79 81 Se 0.83333333333333 0.44243061797831 0.12500000000000 78.960 > 79 82 Se 0.16666666666667 0.44243061797831 0.62500000000000 78.960 > 79 83 Se 0.50000000000000 0.44243061797831 0.62500000000000 78.960 > 79 84 Se 0.83333333333333 0.44243061797831 0.62500000000000 78.960 > 79 85 Se 0.16666666666667 0.88008466266838 0.46814782410200 78.960 > 49 86 Se 0.50000000000000 0.88008466266838 0.46814782410200 78.960 > 49 87 Se 0.83333333333333 0.88008466266838 0.46814782410200 78.960 > 49 88 Se 0.16666666666667 0.88008466266838 0.96814782410200 78.960 > 49 89 Se 0.50000000000000 0.88008466266838 0.96814782410200 78.960 > 49 90 Se 0.83333333333333 0.88008466266838 0.96814782410200 78.960 > 49 91 Se 0.00000000000000 0.61991533733162 0.03185217589800 78.960 > 55 92 Se 0.33333333333333 0.61991533733162 0.03185217589800 78.960 > 55 93 Se 0.66666666666667 0.61991533733162 0.03185217589800 78.960 > 55 94 Se 0.00000000000000 0.61991533733162 0.53185217589800 78.960 > 55 95 Se 0.33333333333333 0.61991533733162 0.53185217589800 78.960 > 55 96 Se 0.66666666666667 0.61991533733162 0.53185217589800 78.960 > 55 97 Se 0.00000000000000 0.61991533733162 0.21814782410200 78.960 > 61 98 Se 0.33333333333333 0.61991533733162 0.21814782410200 78.960 > 61 99 Se 0.66666666666667 0.61991533733162 0.21814782410200 78.960 > 61 100 Se 0.00000000000000 0.61991533733162 0.71814782410200 78.960 > 61 101 Se 0.33333333333333 0.61991533733162 0.71814782410200 78.960 > 61 102 Se 0.66666666666667 0.61991533733162 0.71814782410200 78.960 > 61 103 Se 0.16666666666667 0.88008466266838 0.28185217589800 78.960 > 67 104 Se 0.50000000000000 0.88008466266838 0.28185217589800 78.960 > 67 105 Se 0.83333333333333 0.88008466266838 0.28185217589800 78.960 > 67 106 Se 0.16666666666667 0.88008466266838 0.78185217589800 78.960 > 67 107 Se 0.50000000000000 0.88008466266838 0.78185217589800 78.960 > 67 108 Se 0.83333333333333 0.88008466266838 0.78185217589800 78.960 > 67 109 Se 0.16666666666667 0.55756938202169 0.37500000000000 78.960 > 73 110 Se 0.50000000000000 0.55756938202169 0.37500000000000 78.960 > 73 111 Se 0.83333333333333 0.55756938202169 0.37500000000000 78.960 > 73 112 Se 0.16666666666667 0.55756938202169 0.87500000000000 78.960 > 73 113 Se 0.50000000000000 0.55756938202169 0.87500000000000 78.960 > 73 114 Se 0.83333333333333 0.55756938202169 0.87500000000000 78.960 > 73 115 Se 0.00000000000000 0.94243061797831 0.12500000000000 78.960 > 79 116 Se 0.33333333333333 0.94243061797831 0.12500000000000 78.960 > 79 117 Se 0.66666666666667 0.94243061797831 0.12500000000000 78.960 > 79 118 Se 0.00000000000000 0.94243061797831 0.62500000000000 78.960 > 79 119 Se 0.33333333333333 0.94243061797831 0.62500000000000 78.960 > 79 120 Se 0.66666666666667 0.94243061797831 0.62500000000000 78.960 > 79 121 Zn 0.00000000000000 0.46284998905272 0.37500000000000 65.380 > 121 122 Zn 0.33333333333333 0.46284998905272 0.37500000000000 65.380 > 121 123 Zn 0.66666666666667 0.46284998905272 0.37500000000000 65.380 > 121 124 Zn 0.00000000000000 0.46284998905272 0.87500000000000 65.380 > 121 125 Zn 0.33333333333333 0.46284998905272 0.87500000000000 65.380 > 121 126 Zn 0.66666666666667 0.46284998905272 0.87500000000000 65.380 > 121 127 Zn 0.16666666666667 0.03715001094728 0.12500000000000 65.380 > 127 128 Zn 0.50000000000000 0.03715001094728 0.12500000000000 65.380 > 127 129 Zn 0.83333333333333 0.03715001094728 0.12500000000000 65.380 > 127 130 Zn 0.16666666666667 0.03715001094728 0.62500000000000 65.380 > 127 131 Zn 0.50000000000000 0.03715001094728 0.62500000000000 65.380 > 127 132 Zn 0.83333333333333 0.03715001094728 0.62500000000000 65.380 > 127 133 Zn 0.16666666666667 0.96284998905272 0.37500000000000 65.380 > 121 134 Zn 0.50000000000000 0.96284998905272 0.37500000000000 65.380 > 121 135 Zn 0.83333333333333 0.96284998905272 0.37500000000000 65.380 > 121 136 Zn 0.16666666666667 0.96284998905272 0.87500000000000 65.380 > 121 137 Zn 0.50000000000000 0.96284998905272 0.87500000000000 65.380 > 121 138 Zn 0.83333333333333 0.96284998905272 0.87500000000000 65.380 > 121 139 Zn 0.00000000000000 0.53715001094728 0.12500000000000 65.380 > 127 140 Zn 0.33333333333333 0.53715001094728 0.12500000000000 65.380 > 127 141 Zn 0.66666666666667 0.53715001094728 0.12500000000000 65.380 > 127 142 Zn 0.00000000000000 0.53715001094728 0.62500000000000 65.380 > 127 143 Zn 0.33333333333333 0.53715001094728 0.62500000000000 65.380 > 127 144 Zn 0.66666666666667 0.53715001094728 0.62500000000000 65.380 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.9268074 0.0000000 0.0000000 0.0000000 4.5672089 0.0000000 0.0000000 0.0000000 6.6045584 -------------------------- Born effective charges -------------------------- 1 Sm 4.9812857 0.0000000 0.0000000 0.0000000 1.6668716 0.3982302 0.0000000 0.6092189 4.8982407 2 Sm 4.9812857 0.0000000 0.0000000 0.0000000 1.6668716 -0.3982302 0.0000000 -0.6092189 4.8982407 3 Cs 1.2169676 0.0000000 0.0000000 0.0000000 1.9742773 0.0000000 0.0000000 0.0000000 1.2845453 4 Cs 1.2169676 0.0000000 0.0000000 0.0000000 1.9742773 0.0000000 0.0000000 0.0000000 1.2845453 5 Se -2.9181503 0.0000000 0.0000000 0.0000000 -1.6252992 -0.0827441 0.0000000 -0.1904462 -2.2530680 6 Se -2.9181503 0.0000000 0.0000000 0.0000000 -1.6252992 -0.0827441 0.0000000 -0.1904462 -2.2530680 7 Se -2.9181503 0.0000000 0.0000000 0.0000000 -1.6252992 0.0827441 0.0000000 0.1904462 -2.2530680 8 Se -2.9181503 0.0000000 0.0000000 0.0000000 -1.6252992 0.0827441 0.0000000 0.1904462 -2.2530680 9 Se -2.3636630 0.0000000 0.0000000 0.0000000 -1.1430090 0.0000000 0.0000000 0.0000000 -3.5125884 10 Se -2.3636630 0.0000000 0.0000000 0.0000000 -1.1430090 0.0000000 0.0000000 0.0000000 -3.5125884 11 Zn 2.0017104 0.0000000 0.0000000 0.0000000 0.7524585 0.0000000 0.0000000 0.0000000 1.8359383 12 Zn 2.0017104 0.0000000 0.0000000 0.0000000 0.7524585 0.0000000 0.0000000 0.0000000 1.8359383 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 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: 0.58, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.847 ( 0.000 0.000 0.000) 0.000 1.335 ( 0.000 0.000 0.000) 0.000 1.350 ( 0.000 0.000 0.000) 0.000 1.428 ( 0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 2.154 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.327 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 0.000) 0.000 3.336 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 3.894 ( 0.000 0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.728 ( 0.000 0.000 0.000) 0.000 4.807 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 6.444 ( 0.000 0.000 0.000) 0.000 6.765 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 18.165 0.260 0.000) 18.166 0.392 ( 18.836 -0.671 0.000) 18.848 0.661 ( 30.173 -6.672 0.000) 30.902 0.902 ( 5.194 0.327 0.000) 5.205 1.225 ( -5.453 1.755 0.000) 5.728 1.395 ( 4.152 0.035 0.000) 4.152 1.465 ( 3.684 -0.552 0.000) 3.726 1.672 ( 13.285 1.330 0.000) 13.351 1.693 ( 4.272 1.178 0.000) 4.431 1.734 ( -0.190 -2.069 0.000) 2.078 2.082 ( -3.682 0.061 0.000) 3.683 2.136 ( -1.662 4.456 0.000) 4.756 2.188 ( -2.254 -3.575 0.000) 4.226 2.275 ( 5.660 -1.299 0.000) 5.807 2.342 ( 0.193 0.113 0.000) 0.224 2.466 ( 10.212 0.144 0.000) 10.213 2.675 ( -0.654 0.242 0.000) 0.697 3.277 ( -4.628 -0.423 0.000) 4.647 3.835 ( 7.690 0.000 0.000) 7.690 3.836 ( 2.853 -0.087 0.000) 2.854 3.968 ( 6.239 -0.014 0.000) 6.239 4.242 ( 2.587 0.542 0.000) 2.643 4.285 ( -0.864 -0.013 0.000) 0.864 4.302 ( 3.360 -0.082 0.000) 3.361 4.366 ( -2.574 -0.045 0.000) 2.575 4.537 ( -0.342 0.004 0.000) 0.342 4.724 ( -0.436 0.147 0.000) 0.460 4.789 ( -1.484 0.184 0.000) 1.495 5.003 ( -1.016 -0.008 0.000) 1.016 5.125 ( -3.331 5.143 0.000) 6.127 5.509 ( -1.198 0.075 0.000) 1.201 5.661 ( 0.254 16.926 0.000) 16.928 5.828 ( 1.602 4.976 0.000) 5.228 6.419 ( -7.578 -9.118 0.000) 11.856 6.743 ( -1.720 0.759 0.000) 1.880 6.791 ( 0.167 -0.647 0.000) 0.668 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 18.215 2.340 0.000) 18.365 0.744 ( 15.169 -1.136 0.000) 15.211 1.033 ( 7.898 0.646 0.000) 7.924 1.135 ( -2.453 2.355 0.000) 3.401 1.247 ( 23.554 -6.234 0.000) 24.365 1.501 ( 6.471 0.343 0.000) 6.480 1.583 ( 7.451 -1.149 0.000) 7.540 1.718 ( -0.761 -1.394 0.000) 1.588 1.782 ( 5.603 5.575 0.000) 7.904 1.938 ( 10.069 0.500 0.000) 10.082 2.016 ( -2.078 0.396 0.000) 2.115 2.099 ( -1.162 -0.636 0.000) 1.325 2.156 ( -1.132 -0.311 0.000) 1.174 2.390 ( 6.410 0.056 0.000) 6.410 2.407 ( 6.667 -1.195 0.000) 6.773 2.654 ( -1.281 0.333 0.000) 1.323 2.707 ( 13.056 0.218 0.000) 13.058 3.203 ( -2.552 -0.889 0.000) 2.702 3.885 ( 2.198 -0.165 0.000) 2.204 4.031 ( 9.395 -0.092 0.000) 9.396 4.105 ( 6.717 -0.444 0.000) 6.732 4.273 ( 0.498 0.116 0.000) 0.511 4.287 ( 1.788 0.266 0.000) 1.808 4.298 ( -3.953 -0.080 0.000) 3.954 4.360 ( 1.646 0.140 0.000) 1.652 4.536 ( 0.273 0.047 0.000) 0.277 4.693 ( -3.293 -0.014 0.000) 3.293 4.764 ( -0.463 -0.036 0.000) 0.465 4.977 ( -1.469 -0.012 0.000) 1.469 5.027 ( -3.293 1.183 0.000) 3.499 5.478 ( -1.635 0.112 0.000) 1.639 5.547 ( -5.209 6.788 0.000) 8.556 5.828 ( 1.090 5.642 0.000) 5.746 6.275 ( -9.971 -4.034 0.000) 10.756 6.694 ( -2.834 -0.147 0.000) 2.837 6.798 ( 0.484 0.369 0.000) 0.609 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 5.763 -0.508 0.000) 5.786 1.050 ( 16.136 4.833 0.000) 16.844 1.100 ( 0.204 1.275 0.000) 1.291 1.218 ( 10.332 0.024 0.000) 10.332 1.589 ( 9.254 0.036 0.000) 9.254 1.655 ( 7.174 -1.816 0.000) 7.401 1.719 ( 0.452 -1.084 0.000) 1.174 1.728 ( 3.869 -0.927 0.000) 3.978 1.826 ( 2.430 6.925 0.000) 7.339 2.004 ( 0.398 1.167 0.000) 1.233 2.025 ( 0.044 0.346 0.000) 0.349 2.155 ( 0.443 -1.296 0.000) 1.369 2.188 ( 11.611 -5.934 0.000) 13.039 2.547 ( 6.504 -1.209 0.000) 6.616 2.619 ( -1.514 0.212 0.000) 1.528 2.628 ( 15.075 0.164 0.000) 15.076 2.946 ( 9.966 0.042 0.000) 9.967 3.184 ( -0.272 -0.955 0.000) 0.993 3.904 ( -0.781 -0.179 0.000) 0.801 4.141 ( 1.715 -0.097 0.000) 1.717 4.214 ( 2.774 -0.693 0.000) 2.859 4.228 ( -2.501 -0.018 0.000) 2.501 4.321 ( 2.348 0.235 0.000) 2.360 4.349 ( 6.482 0.232 0.000) 6.486 4.352 ( -1.756 0.333 0.000) 1.787 4.536 ( -0.261 0.118 0.000) 0.286 4.594 ( -5.194 0.012 0.000) 5.194 4.782 ( 1.904 -0.187 0.000) 1.913 4.949 ( -1.192 -0.045 0.000) 1.193 5.018 ( 2.504 0.521 0.000) 2.558 5.387 ( -7.832 3.613 0.000) 8.625 5.447 ( -1.282 0.069 0.000) 1.284 5.811 ( 0.029 5.017 0.000) 5.017 6.077 ( -11.199 -2.381 0.000) 11.449 6.637 ( -3.003 -0.687 0.000) 3.081 6.807 ( 0.654 0.987 0.000) 1.184 ======================= Grid point 4 (5/129) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.541 0.557 0.000) 0.777 1.108 ( -0.306 -0.901 0.000) 0.952 1.286 ( 9.472 7.181 0.000) 11.887 1.400 ( 6.582 -0.238 0.000) 6.587 1.679 ( 0.619 3.990 0.000) 4.038 1.704 ( -2.555 4.841 0.000) 5.474 1.763 ( 3.808 -0.247 0.000) 3.816 1.767 ( 6.302 1.179 0.000) 6.411 1.909 ( 4.813 -5.522 0.000) 7.325 1.994 ( -2.187 -0.092 0.000) 2.189 2.043 ( 3.278 -2.337 0.000) 4.025 2.151 ( -1.528 -2.587 0.000) 3.005 2.536 ( 17.060 -2.708 0.000) 17.273 2.571 ( -2.723 -0.094 0.000) 2.724 2.674 ( 5.377 -0.993 0.000) 5.468 2.931 ( 13.432 0.245 0.000) 13.434 3.079 ( 2.950 -0.549 0.000) 3.001 3.180 ( -0.854 -0.381 0.000) 0.936 3.860 ( -3.057 -0.031 0.000) 3.057 4.170 ( -6.021 -0.533 0.000) 6.045 4.173 ( 2.628 0.122 0.000) 2.630 4.202 ( -0.423 0.071 0.000) 0.429 4.345 ( 1.205 0.576 0.000) 1.335 4.402 ( 5.538 0.173 0.000) 5.541 4.457 ( 3.491 0.115 0.000) 3.492 4.529 ( -0.480 0.439 0.000) 0.650 4.548 ( 1.446 -0.000 0.000) 1.446 4.816 ( 0.870 -0.203 0.000) 0.894 4.932 ( -0.535 -0.115 0.000) 0.547 5.096 ( 5.253 0.396 0.000) 5.268 5.202 ( -9.019 1.804 0.000) 9.198 5.427 ( -0.730 -0.020 0.000) 0.730 5.771 ( -2.461 3.193 0.000) 4.031 5.868 ( -9.698 -1.067 0.000) 9.756 6.586 ( -2.341 -0.736 0.000) 2.454 6.813 ( 0.453 1.027 0.000) 1.123 ======================= Grid point 5 (6/129) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -0.231 -0.446 0.000) 0.502 1.087 ( -1.652 -0.376 0.000) 1.695 1.320 ( -1.393 5.951 0.000) 6.112 1.478 ( 1.789 0.206 0.000) 1.801 1.670 ( 2.428 3.350 0.000) 4.137 1.672 ( -0.166 1.523 0.000) 1.532 1.857 ( 4.533 -0.087 0.000) 4.534 1.858 ( 3.014 1.305 0.000) 3.284 1.956 ( -1.528 -0.238 0.000) 1.546 1.983 ( -0.522 -2.833 0.000) 2.881 2.144 ( 4.361 -2.997 0.000) 5.291 2.155 ( 1.530 -2.450 0.000) 2.889 2.519 ( -2.278 -0.208 0.000) 2.287 2.764 ( 3.066 -0.541 0.000) 3.114 2.834 ( 11.318 -0.058 0.000) 11.318 3.075 ( -3.100 -0.948 0.000) 3.242 3.132 ( 6.501 0.157 0.000) 6.503 3.156 ( -1.409 -0.224 0.000) 1.427 3.806 ( -2.010 0.061 0.000) 2.011 4.064 ( -3.892 -0.432 0.000) 3.916 4.197 ( -0.089 0.111 0.000) 0.143 4.261 ( 6.029 0.220 0.000) 6.033 4.362 ( 0.672 0.539 0.000) 0.861 4.474 ( -1.840 -0.034 0.000) 1.840 4.507 ( 3.941 0.320 0.000) 3.954 4.530 ( 0.639 0.254 0.000) 0.688 4.639 ( 7.557 0.057 0.000) 7.557 4.811 ( -1.292 -0.123 0.000) 1.298 4.927 ( -0.078 -0.118 0.000) 0.141 5.011 ( -9.397 0.563 0.000) 9.414 5.223 ( 7.461 0.468 0.000) 7.476 5.417 ( -0.336 -0.055 0.000) 0.340 5.622 ( -10.072 -0.713 0.000) 10.098 5.767 ( -1.542 1.623 0.000) 2.239 6.553 ( -1.243 -0.453 0.000) 1.323 6.814 ( 0.153 0.632 0.000) 0.651 ======================= Grid point 6 (7/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 0.000 -0.000 0.000) 0.000 1.068 ( 0.000 -0.000 0.000) 0.000 1.273 ( 0.000 -0.000 0.000) 0.000 1.493 ( 0.000 -0.000 0.000) 0.000 1.666 ( 0.000 -0.000 0.000) 0.000 1.697 ( 0.000 -0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 -0.000 0.000) 0.000 1.941 ( 0.000 -0.000 0.000) 0.000 1.966 ( 0.000 -0.000 0.000) 0.000 2.189 ( 0.000 -0.000 0.000) 0.000 2.207 ( 0.000 -0.000 0.000) 0.000 2.494 ( 0.000 -0.000 0.000) 0.000 2.797 ( 0.000 -0.000 0.000) 0.000 2.979 ( 0.000 -0.000 0.000) 0.000 3.009 ( 0.000 -0.000 0.000) 0.000 3.137 ( 0.000 -0.000 0.000) 0.000 3.194 ( 0.000 -0.000 0.000) 0.000 3.785 ( 0.000 -0.000 0.000) 0.000 4.027 ( 0.000 -0.000 0.000) 0.000 4.196 ( 0.000 -0.000 0.000) 0.000 4.367 ( 0.000 -0.000 0.000) 0.000 4.373 ( -0.000 -0.000 0.000) 0.000 4.406 ( 0.000 -0.000 0.000) 0.000 4.526 ( 0.000 -0.000 0.000) 0.000 4.560 ( 0.000 -0.000 0.000) 0.000 4.788 ( 0.000 -0.000 0.000) 0.000 4.800 ( -0.000 -0.000 0.000) 0.000 4.838 ( 0.000 -0.000 0.000) 0.000 4.927 ( 0.000 -0.000 0.000) 0.000 5.350 ( 0.000 -0.000 0.000) 0.000 5.414 ( 0.000 -0.000 0.000) 0.000 5.467 ( 0.000 -0.000 0.000) 0.000 5.748 ( 0.000 -0.000 0.000) 0.000 6.542 ( 0.000 -0.000 0.000) 0.000 6.814 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/129) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 18.674 0.000 0.000) 18.674 0.738 ( 15.217 0.000 0.000) 15.217 1.037 ( 7.873 0.000 0.000) 7.873 1.148 ( -2.789 -0.000 0.000) 2.789 1.211 ( 24.575 0.000 0.000) 24.575 1.503 ( 6.214 0.000 0.000) 6.214 1.577 ( 7.506 0.000 0.000) 7.506 1.711 ( -0.714 -0.000 0.000) 0.714 1.815 ( 7.800 0.000 0.000) 7.800 1.941 ( 10.128 0.000 0.000) 10.128 2.013 ( -3.779 -0.000 0.000) 3.779 2.097 ( -2.153 -0.000 0.000) 2.153 2.155 ( -0.913 -0.000 0.000) 0.913 2.390 ( 6.394 0.000 0.000) 6.394 2.401 ( 6.786 0.000 0.000) 6.786 2.656 ( -1.329 -0.000 0.000) 1.329 2.708 ( 13.027 0.000 0.000) 13.027 3.198 ( -2.541 -0.000 0.000) 2.541 3.884 ( 2.192 0.000 0.000) 2.192 4.031 ( 9.374 0.000 0.000) 9.374 4.103 ( 6.646 0.000 0.000) 6.646 4.274 ( 0.566 0.000 0.000) 0.566 4.289 ( 1.726 0.000 0.000) 1.726 4.297 ( -3.962 -0.000 0.000) 3.962 4.361 ( 1.712 0.000 0.000) 1.712 4.537 ( 0.281 0.000 0.000) 0.281 4.693 ( -3.323 -0.000 0.000) 3.323 4.763 ( -0.531 -0.000 0.000) 0.531 4.977 ( -1.471 -0.000 0.000) 1.471 5.033 ( -3.824 -0.000 0.000) 3.824 5.479 ( -1.649 -0.000 0.000) 1.649 5.581 ( -7.332 -0.000 0.000) 7.332 5.865 ( 0.318 0.000 0.000) 0.318 6.250 ( -8.817 -0.000 0.000) 8.817 6.694 ( -3.028 -0.000 0.000) 3.028 6.800 ( 0.679 0.000 0.000) 0.679 ======================= Grid point 15 (9/129) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 6.500 -0.186 0.000) 6.503 1.090 ( 16.747 2.167 0.000) 16.886 1.109 ( -0.962 0.477 0.000) 1.074 1.219 ( 10.087 0.007 0.000) 10.087 1.583 ( 12.227 -0.679 0.000) 12.245 1.638 ( 7.160 -0.829 0.000) 7.207 1.711 ( 0.883 -0.401 0.000) 0.970 1.718 ( 4.832 -0.558 0.000) 4.864 1.902 ( -3.659 5.620 0.000) 6.706 2.006 ( 2.471 -1.118 0.000) 2.712 2.027 ( -0.161 0.121 0.000) 0.201 2.138 ( 0.491 -1.354 0.000) 1.440 2.142 ( 11.357 -2.119 0.000) 11.553 2.538 ( 6.655 -0.468 0.000) 6.672 2.621 ( -2.077 0.081 0.000) 2.079 2.629 ( 15.569 0.057 0.000) 15.569 2.947 ( 9.823 0.021 0.000) 9.823 3.177 ( -0.077 -0.358 0.000) 0.366 3.903 ( -0.732 -0.066 0.000) 0.735 4.140 ( 1.798 -0.036 0.000) 1.798 4.210 ( 2.884 -0.223 0.000) 2.892 4.228 ( -2.474 -0.006 0.000) 2.474 4.322 ( 2.350 0.091 0.000) 2.352 4.350 ( 6.438 0.085 0.000) 6.439 4.355 ( -1.799 0.122 0.000) 1.803 4.537 ( -0.216 0.043 0.000) 0.220 4.594 ( -5.108 0.009 0.000) 5.108 4.780 ( 1.899 -0.067 0.000) 1.900 4.949 ( -1.209 -0.017 0.000) 1.210 5.022 ( 2.351 0.184 0.000) 2.358 5.412 ( -8.974 1.156 0.000) 9.048 5.448 ( -1.318 0.025 0.000) 1.318 5.854 ( -0.680 2.482 0.000) 2.574 6.055 ( -10.768 -1.362 0.000) 10.854 6.632 ( -3.024 -0.234 0.000) 3.033 6.814 ( 0.662 0.344 0.000) 0.746 ======================= Grid point 16 (10/129) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 0.328 0.442 0.000) 0.550 1.099 ( -0.533 -0.649 0.000) 0.840 1.351 ( 9.887 4.733 0.000) 10.962 1.398 ( 6.739 -0.133 0.000) 6.741 1.709 ( 0.831 1.868 0.000) 2.045 1.756 ( -4.073 4.273 0.000) 5.903 1.761 ( 4.039 -0.135 0.000) 4.041 1.778 ( 6.821 0.947 0.000) 6.886 1.855 ( 5.166 -4.470 0.000) 6.831 1.994 ( -2.328 -0.058 0.000) 2.328 2.026 ( 1.940 -0.833 0.000) 2.111 2.121 ( -1.686 -2.656 0.000) 3.146 2.513 ( 18.472 -1.589 0.000) 18.540 2.570 ( -2.825 -0.053 0.000) 2.825 2.666 ( 5.598 -0.573 0.000) 5.627 2.933 ( 13.402 0.141 0.000) 13.402 3.075 ( 2.705 -0.317 0.000) 2.724 3.177 ( -0.549 -0.213 0.000) 0.589 3.860 ( -2.987 -0.019 0.000) 2.987 4.165 ( -5.977 -0.292 0.000) 5.984 4.174 ( 2.704 0.073 0.000) 2.705 4.202 ( -0.395 0.039 0.000) 0.397 4.350 ( 1.273 0.360 0.000) 1.323 4.403 ( 5.619 0.086 0.000) 5.619 4.458 ( 3.423 0.067 0.000) 3.424 4.533 ( -0.701 0.329 0.000) 0.774 4.548 ( 1.638 -0.087 0.000) 1.640 4.814 ( 0.893 -0.117 0.000) 0.901 4.931 ( -0.552 -0.066 0.000) 0.556 5.100 ( 5.238 0.224 0.000) 5.243 5.217 ( -9.770 0.959 0.000) 9.817 5.427 ( -0.762 -0.011 0.000) 0.762 5.804 ( -4.663 2.964 0.000) 5.525 5.854 ( -8.051 -1.676 0.000) 8.224 6.580 ( -2.228 -0.395 0.000) 2.263 6.821 ( 0.295 0.564 0.000) 0.636 ======================= Grid point 17 (11/129) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -0.561 -0.300 0.000) 0.637 1.084 ( -1.173 -0.297 0.000) 1.210 1.380 ( -3.594 5.010 0.000) 6.166 1.480 ( 1.871 0.142 0.000) 1.876 1.687 ( -1.195 1.297 0.000) 1.764 1.702 ( 1.312 2.563 0.000) 2.880 1.857 ( 4.556 -0.054 0.000) 4.557 1.872 ( 2.492 1.390 0.000) 2.853 1.949 ( 0.754 -3.384 0.000) 3.467 1.953 ( -1.491 -0.180 0.000) 1.502 2.115 ( 4.986 -2.264 0.000) 5.476 2.132 ( 2.782 -1.806 0.000) 3.317 2.517 ( -2.243 -0.151 0.000) 2.248 2.759 ( 3.329 -0.376 0.000) 3.351 2.833 ( 12.403 -0.101 0.000) 12.404 3.068 ( -2.981 -0.421 0.000) 3.010 3.133 ( 6.435 0.114 0.000) 6.436 3.153 ( -1.708 -0.400 0.000) 1.754 3.806 ( -2.009 0.043 0.000) 2.010 4.060 ( -3.765 -0.327 0.000) 3.779 4.198 ( -0.115 0.083 0.000) 0.142 4.263 ( 6.034 0.161 0.000) 6.036 4.367 ( 0.504 0.429 0.000) 0.661 4.473 ( -1.909 -0.024 0.000) 1.909 4.510 ( 4.039 0.351 0.000) 4.055 4.531 ( 0.367 0.051 0.000) 0.371 4.640 ( 7.582 0.029 0.000) 7.582 4.810 ( -1.229 -0.099 0.000) 1.233 4.926 ( -0.045 -0.088 0.000) 0.098 5.016 ( -9.862 0.409 0.000) 9.871 5.227 ( 7.515 0.337 0.000) 7.522 5.417 ( -0.327 -0.040 0.000) 0.329 5.616 ( -10.293 -0.437 0.000) 10.303 5.782 ( -2.014 1.123 0.000) 2.306 6.549 ( -1.047 -0.317 0.000) 1.094 6.820 ( -0.122 0.448 0.000) 0.465 ======================= Grid point 18 (12/129) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 0.950 0.387 0.000) 1.026 1.065 ( -0.391 -0.402 0.000) 0.561 1.277 ( -3.114 0.673 0.000) 3.186 1.493 ( -0.203 0.025 0.000) 0.205 1.660 ( -1.344 -0.927 0.000) 1.633 1.702 ( -1.564 0.641 0.000) 1.690 1.883 ( -0.979 -0.349 0.000) 1.039 1.908 ( 0.065 0.028 0.000) 0.071 1.941 ( 0.161 -0.029 0.000) 0.164 1.963 ( 1.513 -0.446 0.000) 1.577 2.190 ( 1.622 0.202 0.000) 1.634 2.209 ( 1.881 0.311 0.000) 1.906 2.494 ( 0.148 0.002 0.000) 0.148 2.797 ( 0.288 0.031 0.000) 0.289 2.972 ( -3.332 -0.969 0.000) 3.470 3.021 ( 3.700 1.725 0.000) 4.082 3.133 ( 0.019 -0.809 0.000) 0.809 3.194 ( -0.085 0.001 0.000) 0.085 3.785 ( -0.050 -0.003 0.000) 0.050 4.027 ( 0.267 -0.011 0.000) 0.267 4.196 ( -0.074 0.002 0.000) 0.074 4.367 ( -0.307 0.047 0.000) 0.310 4.373 ( -0.674 -0.015 0.000) 0.675 4.406 ( 0.566 0.017 0.000) 0.566 4.526 ( -0.208 0.013 0.000) 0.209 4.560 ( -0.145 -0.035 0.000) 0.149 4.788 ( 0.533 -0.061 0.000) 0.536 4.800 ( -0.994 0.052 0.000) 0.995 4.838 ( 0.278 0.005 0.000) 0.278 4.927 ( 0.073 -0.003 0.000) 0.073 5.350 ( -1.115 -0.042 0.000) 1.115 5.414 ( 0.039 0.000 0.000) 0.039 5.468 ( 1.341 0.055 0.000) 1.342 5.748 ( -0.948 -0.002 0.000) 0.948 6.542 ( 0.244 0.001 0.000) 0.244 6.814 ( -0.340 -0.000 0.000) 0.340 ======================= Grid point 19 (13/129) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -0.312 0.491 0.000) 0.582 1.091 ( 2.380 0.337 0.000) 2.403 1.260 ( -1.089 -5.253 0.000) 5.365 1.476 ( -1.719 -0.221 0.000) 1.733 1.633 ( -2.978 -3.383 0.000) 4.507 1.658 ( -1.279 -1.163 0.000) 1.728 1.845 ( -3.321 -1.205 0.000) 3.533 1.858 ( -4.505 0.102 0.000) 4.506 1.958 ( 1.574 0.227 0.000) 1.590 2.008 ( 1.893 1.869 0.000) 2.660 2.175 ( -3.467 2.723 0.000) 4.409 2.182 ( -1.120 2.536 0.000) 2.773 2.521 ( 2.319 0.211 0.000) 2.328 2.770 ( -2.756 0.579 0.000) 2.816 2.834 ( -10.035 -0.001 0.000) 10.035 3.088 ( 2.939 1.422 0.000) 3.265 3.130 ( -6.579 -0.157 0.000) 6.581 3.157 ( 1.364 -0.223 0.000) 1.382 3.805 ( 2.010 -0.064 0.000) 2.011 4.069 ( 4.040 0.410 0.000) 4.060 4.196 ( 0.061 -0.109 0.000) 0.125 4.258 ( -6.027 -0.219 0.000) 6.031 4.356 ( -0.862 -0.481 0.000) 0.987 4.474 ( 1.760 0.034 0.000) 1.761 4.504 ( -3.991 -0.168 0.000) 3.994 4.526 ( -0.801 -0.435 0.000) 0.912 4.638 ( -7.526 -0.075 0.000) 7.527 4.812 ( 1.365 0.105 0.000) 1.369 4.929 ( 0.117 0.116 0.000) 0.165 5.004 ( 8.828 -0.566 0.000) 8.846 5.218 ( -7.410 -0.478 0.000) 7.425 5.418 ( 0.346 0.056 0.000) 0.351 5.631 ( 9.966 0.928 0.000) 10.009 5.749 ( 0.871 -1.807 0.000) 2.006 6.558 ( 1.494 0.480 0.000) 1.569 6.807 ( -0.494 -0.659 0.000) 0.823 ======================= Grid point 20 (14/129) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -0.754 -0.438 0.000) 0.872 1.117 ( -0.111 0.809 0.000) 0.817 1.207 ( -8.795 -7.437 0.000) 11.518 1.403 ( -6.332 0.291 0.000) 6.339 1.623 ( -0.386 -5.876 0.000) 5.889 1.664 ( 0.504 -3.081 0.000) 3.122 1.754 ( -6.086 -1.231 0.000) 6.209 1.766 ( -3.488 0.306 0.000) 3.501 1.968 ( -3.842 5.539 0.000) 6.741 1.995 ( 1.990 0.092 0.000) 1.992 2.071 ( -4.404 2.889 0.000) 5.267 2.172 ( 0.710 1.300 0.000) 1.481 2.568 ( -15.259 3.073 0.000) 15.565 2.572 ( 2.585 0.113 0.000) 2.587 2.686 ( -5.107 1.141 0.000) 5.233 2.928 ( -13.473 -0.285 0.000) 13.476 3.086 ( -3.335 0.631 0.000) 3.394 3.184 ( 1.303 0.461 0.000) 1.382 3.860 ( 3.151 0.033 0.000) 3.151 4.171 ( -2.531 -0.134 0.000) 2.534 4.176 ( 6.158 0.674 0.000) 6.195 4.201 ( 0.468 -0.088 0.000) 0.476 4.339 ( -1.109 -0.603 0.000) 1.263 4.399 ( -5.479 -0.231 0.000) 5.484 4.456 ( -3.582 -0.132 0.000) 3.585 4.524 ( 0.508 -0.412 0.000) 0.654 4.548 ( -1.465 -0.124 0.000) 1.471 4.818 ( -0.832 0.228 0.000) 0.863 4.934 ( 0.511 0.133 0.000) 0.528 5.092 ( -5.289 -0.471 0.000) 5.310 5.180 ( 7.804 -2.322 0.000) 8.142 5.428 ( 0.686 0.023 0.000) 0.686 5.738 ( 0.698 -2.901 0.000) 2.984 5.877 ( 10.841 0.619 0.000) 10.858 6.595 ( 2.536 0.953 0.000) 2.709 6.800 ( -0.710 -1.289 0.000) 1.472 ======================= Grid point 21 (15/129) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -4.416 0.694 0.000) 4.470 0.998 ( -14.541 -4.773 0.000) 15.305 1.084 ( -2.144 -1.682 0.000) 2.725 1.218 ( -10.849 -0.042 0.000) 10.849 1.582 ( -6.981 -1.211 0.000) 7.085 1.660 ( -4.630 -1.452 0.000) 4.853 1.696 ( -0.358 -6.510 0.000) 6.520 1.733 ( 0.242 1.462 0.000) 1.482 1.814 ( -9.733 4.609 0.000) 10.769 1.992 ( -2.031 -0.732 0.000) 2.159 2.020 ( -0.414 -0.512 0.000) 0.658 2.162 ( -1.602 0.096 0.000) 1.605 2.254 ( -10.620 6.147 0.000) 12.270 2.562 ( -6.334 1.509 0.000) 6.511 2.617 ( 0.908 -0.267 0.000) 0.946 2.626 ( -14.589 -0.241 0.000) 14.591 2.946 ( -10.195 -0.024 0.000) 10.195 3.196 ( 0.580 1.252 0.000) 1.380 3.906 ( 0.867 0.241 0.000) 0.900 4.142 ( -1.571 0.132 0.000) 1.576 4.224 ( -2.547 1.165 0.000) 2.801 4.228 ( 2.550 0.025 0.000) 2.550 4.318 ( -2.365 -0.281 0.000) 2.381 4.346 ( -6.561 -0.317 0.000) 6.569 4.348 ( 1.758 -0.438 0.000) 1.812 4.535 ( 0.269 -0.164 0.000) 0.315 4.594 ( 5.431 0.019 0.000) 5.431 4.784 ( -1.916 0.257 0.000) 1.933 4.950 ( 1.160 0.061 0.000) 1.162 5.011 ( -2.779 -0.757 0.000) 2.880 5.336 ( 5.238 -6.001 0.000) 7.966 5.447 ( 1.218 -0.096 0.000) 1.222 5.758 ( -0.427 -4.641 0.000) 4.660 6.100 ( 11.790 1.987 0.000) 11.956 6.646 ( 2.976 1.095 0.000) 3.172 6.793 ( -0.649 -1.502 0.000) 1.636 ======================= Grid point 22 (16/129) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -15.973 -0.630 0.000) 15.986 0.761 ( -15.089 1.995 0.000) 15.221 1.022 ( -7.908 -1.516 0.000) 8.052 1.102 ( 1.558 -3.543 0.000) 3.871 1.327 ( -20.970 7.987 0.000) 22.440 1.497 ( -7.376 -0.526 0.000) 7.394 1.599 ( -7.311 1.531 0.000) 7.470 1.712 ( -2.460 -6.889 0.000) 7.315 1.738 ( 0.838 2.255 0.000) 2.406 1.930 ( -9.919 -0.940 0.000) 9.964 1.995 ( 0.462 -3.232 0.000) 3.265 2.110 ( -1.437 0.879 0.000) 1.684 2.164 ( 1.264 1.411 0.000) 1.894 2.389 ( -6.451 -0.094 0.000) 6.451 2.424 ( -6.444 1.725 0.000) 6.671 2.649 ( 1.149 -0.579 0.000) 1.286 2.704 ( -13.137 -0.340 0.000) 13.141 3.216 ( 2.582 1.475 0.000) 2.974 3.887 ( -2.215 0.286 0.000) 2.233 4.033 ( -9.456 0.151 0.000) 9.457 4.112 ( -6.912 0.978 0.000) 6.981 4.272 ( -0.337 -0.175 0.000) 0.379 4.283 ( -1.983 -0.476 0.000) 2.039 4.299 ( 3.953 0.117 0.000) 3.955 4.358 ( -1.467 -0.167 0.000) 1.476 4.535 ( -0.283 -0.212 0.000) 0.354 4.694 ( 3.122 0.084 0.000) 3.123 4.764 ( 0.238 0.024 0.000) 0.239 4.977 ( 1.465 0.019 0.000) 1.465 5.009 ( 1.841 -2.031 0.000) 2.741 5.436 ( -1.027 -13.692 0.000) 13.730 5.476 ( 1.595 -0.200 0.000) 1.608 5.776 ( 0.239 -3.493 0.000) 3.502 6.319 ( 11.457 3.893 0.000) 12.101 6.696 ( 2.225 0.223 0.000) 2.236 6.793 ( 0.128 -0.601 0.000) 0.615 ======================= Grid point 23 (17/129) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( -13.870 5.655 0.000) 14.979 0.405 ( -18.629 1.712 0.000) 18.707 0.773 ( -26.294 13.073 0.000) 29.364 0.895 ( -5.187 -1.120 0.000) 5.306 1.191 ( 4.981 -4.376 0.000) 6.630 1.395 ( -3.636 -0.015 0.000) 3.636 1.477 ( -3.818 1.713 0.000) 4.185 1.655 ( -12.349 -1.534 0.000) 12.444 1.669 ( -3.772 -3.287 0.000) 5.003 1.764 ( -0.412 3.307 0.000) 3.332 2.053 ( 2.829 -6.014 0.000) 6.646 2.108 ( 1.376 -0.367 0.000) 1.424 2.222 ( 5.055 2.752 0.000) 5.756 2.297 ( -4.575 2.500 0.000) 5.213 2.340 ( -0.275 -0.304 0.000) 0.410 2.463 ( -10.216 -0.371 0.000) 10.222 2.670 ( 0.607 -0.665 0.000) 0.900 3.285 ( 4.546 1.120 0.000) 4.682 3.836 ( -7.066 0.066 0.000) 7.066 3.838 ( -3.511 0.169 0.000) 3.515 3.968 ( -6.454 0.096 0.000) 6.455 4.230 ( -3.823 -1.750 0.000) 4.204 4.285 ( 0.905 0.044 0.000) 0.906 4.303 ( -3.216 0.203 0.000) 3.222 4.367 ( 2.574 0.115 0.000) 2.577 4.536 ( 0.254 -0.247 0.000) 0.354 4.718 ( -0.870 -1.550 0.000) 1.778 4.781 ( 0.379 -1.700 0.000) 1.742 5.003 ( 1.020 0.022 0.000) 1.020 5.009 ( -12.600 -15.864 0.000) 20.259 5.420 ( -9.228 -19.935 0.000) 21.967 5.507 ( 1.187 -0.214 0.000) 1.206 5.805 ( 1.459 -0.407 0.000) 1.514 6.518 ( 11.769 7.430 0.000) 13.918 6.730 ( 0.823 -1.539 0.000) 1.746 6.802 ( 0.734 1.240 0.000) 1.441 ======================= Grid point 24 (18/129) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.061 ( 0.000 5.545 0.000) 5.545 0.178 ( 0.000 16.710 0.000) 16.710 0.260 ( 0.000 24.397 0.000) 24.397 0.844 ( -0.000 -0.665 0.000) 0.665 1.308 ( -0.000 -4.728 0.000) 4.728 1.353 ( 0.000 0.560 0.000) 0.560 1.435 ( 0.000 1.217 0.000) 1.217 1.479 ( -0.000 -0.036 0.000) 0.036 1.630 ( -0.000 -1.899 0.000) 1.899 1.752 ( 0.000 2.702 0.000) 2.702 2.132 ( -0.000 -6.999 0.000) 6.999 2.149 ( -0.000 -0.814 0.000) 0.814 2.246 ( 0.000 3.725 0.000) 3.725 2.328 ( 0.000 0.201 0.000) 0.201 2.342 ( -0.000 -0.298 0.000) 0.298 2.557 ( -0.000 -3.245 0.000) 3.245 2.680 ( -0.000 -0.512 0.000) 0.512 3.344 ( 0.000 0.553 0.000) 0.553 3.744 ( 0.000 0.076 0.000) 0.076 3.757 ( 0.000 0.097 0.000) 0.097 3.813 ( 0.000 0.057 0.000) 0.057 3.894 ( 0.000 0.050 0.000) 0.050 4.262 ( 0.000 0.102 0.000) 0.102 4.295 ( 0.000 0.065 0.000) 0.065 4.301 ( 0.000 0.085 0.000) 0.085 4.393 ( 0.000 0.083 0.000) 0.083 4.543 ( 0.000 0.260 0.000) 0.260 4.743 ( 0.000 0.103 0.000) 0.103 4.811 ( 0.000 0.853 0.000) 0.853 5.014 ( 0.000 0.021 0.000) 0.021 5.358 ( -0.000 -2.448 0.000) 2.448 5.521 ( -0.000 -0.158 0.000) 0.158 5.824 ( 0.000 0.332 0.000) 0.332 6.714 ( 0.000 0.031 0.000) 0.031 6.748 ( -0.000 -2.215 0.000) 2.215 6.801 ( 0.000 2.006 0.000) 2.006 ======================= Grid point 27 (19/129) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.234 0.000 0.000) 0.234 1.095 ( -0.595 -0.000 0.000) 0.595 1.378 ( 10.023 0.000 0.000) 10.023 1.398 ( 6.792 0.000 0.000) 6.792 1.719 ( 0.783 0.000 0.000) 0.783 1.760 ( 4.123 0.000 0.000) 4.123 1.777 ( 2.252 0.000 0.000) 2.252 1.792 ( -1.278 -0.000 0.000) 1.278 1.824 ( 6.894 0.000 0.000) 6.894 1.993 ( -2.378 -0.000 0.000) 2.378 2.023 ( 1.119 0.000 0.000) 1.119 2.105 ( -1.486 -0.000 0.000) 1.486 2.505 ( 19.009 0.000 0.000) 19.009 2.570 ( -2.862 -0.000 0.000) 2.862 2.662 ( 5.683 0.000 0.000) 5.683 2.934 ( 13.390 0.000 0.000) 13.390 3.073 ( 2.624 0.000 0.000) 2.624 3.176 ( -0.443 -0.000 0.000) 0.443 3.860 ( -2.962 -0.000 0.000) 2.962 4.164 ( -5.970 -0.000 0.000) 5.970 4.174 ( 2.733 0.000 0.000) 2.733 4.203 ( -0.386 -0.000 0.000) 0.386 4.352 ( 1.295 0.000 0.000) 1.295 4.403 ( 5.657 0.000 0.000) 5.657 4.459 ( 3.399 0.000 0.000) 3.399 4.535 ( -0.933 -0.000 0.000) 0.933 4.547 ( 1.853 0.000 0.000) 1.853 4.814 ( 0.901 0.000 0.000) 0.901 4.931 ( -0.559 -0.000 0.000) 0.559 5.101 ( 5.234 0.000 0.000) 5.234 5.222 ( -10.018 -0.000 0.000) 10.018 5.427 ( -0.774 -0.000 0.000) 0.774 5.831 ( -11.127 -0.000 0.000) 11.127 5.834 ( -1.811 -0.000 0.000) 1.811 6.578 ( -2.191 -0.000 0.000) 2.191 6.824 ( 0.241 0.000 0.000) 0.241 ======================= Grid point 28 (20/129) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -0.700 -0.104 0.000) 0.708 1.081 ( -0.952 -0.113 0.000) 0.958 1.419 ( -4.987 2.037 0.000) 5.387 1.481 ( 1.926 0.050 0.000) 1.927 1.697 ( -1.958 0.541 0.000) 2.031 1.721 ( 0.581 0.955 0.000) 1.118 1.856 ( 4.569 -0.018 0.000) 4.569 1.889 ( 1.682 1.835 0.000) 2.489 1.915 ( 1.959 -2.835 0.000) 3.446 1.952 ( -1.472 -0.067 0.000) 1.473 2.099 ( 5.589 -0.852 0.000) 5.654 2.119 ( 3.722 -0.656 0.000) 3.780 2.516 ( -2.222 -0.055 0.000) 2.223 2.756 ( 3.476 -0.134 0.000) 3.478 2.832 ( 13.004 -0.053 0.000) 13.004 3.065 ( -2.757 -0.090 0.000) 2.759 3.134 ( 6.397 0.042 0.000) 6.397 3.149 ( -2.017 -0.199 0.000) 2.027 3.806 ( -2.009 0.015 0.000) 2.009 4.058 ( -3.692 -0.122 0.000) 3.694 4.199 ( -0.130 0.031 0.000) 0.134 4.264 ( 6.037 0.059 0.000) 6.037 4.370 ( 0.405 0.164 0.000) 0.437 4.473 ( -1.948 -0.009 0.000) 1.948 4.513 ( 4.260 0.169 0.000) 4.264 4.531 ( 0.050 -0.025 0.000) 0.056 4.640 ( 7.596 0.008 0.000) 7.596 4.809 ( -1.194 -0.038 0.000) 1.194 4.926 ( -0.026 -0.032 0.000) 0.042 5.019 ( -10.119 0.148 0.000) 10.120 5.229 ( 7.550 0.122 0.000) 7.551 5.416 ( -0.321 -0.015 0.000) 0.322 5.613 ( -10.447 -0.146 0.000) 10.448 5.790 ( -2.270 0.401 0.000) 2.305 6.547 ( -0.942 -0.113 0.000) 0.949 6.823 ( -0.273 0.161 0.000) 0.317 ======================= Grid point 29 (21/129) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 1.942 0.484 0.000) 2.001 1.060 ( -0.975 -0.500 0.000) 1.096 1.285 ( -5.454 0.696 0.000) 5.498 1.493 ( -0.351 0.025 0.000) 0.352 1.651 ( -2.559 -0.771 0.000) 2.672 1.708 ( -2.440 0.467 0.000) 2.485 1.878 ( -1.613 -0.369 0.000) 1.654 1.908 ( 0.112 0.028 0.000) 0.115 1.940 ( 0.280 -0.030 0.000) 0.282 1.958 ( 2.674 -0.413 0.000) 2.706 2.192 ( 2.759 0.204 0.000) 2.767 2.212 ( 3.192 0.291 0.000) 3.205 2.494 ( 0.256 0.002 0.000) 0.256 2.797 ( 0.507 0.032 0.000) 0.508 2.963 ( -3.765 -0.605 0.000) 3.814 3.039 ( 4.641 1.627 0.000) 4.918 3.122 ( -0.207 -1.075 0.000) 1.095 3.194 ( -0.148 0.001 0.000) 0.148 3.785 ( -0.087 -0.003 0.000) 0.087 4.027 ( 0.460 -0.011 0.000) 0.460 4.196 ( -0.128 0.002 0.000) 0.128 4.368 ( -0.530 0.047 0.000) 0.532 4.373 ( -1.156 -0.015 0.000) 1.157 4.407 ( 0.969 0.017 0.000) 0.969 4.526 ( -0.370 0.014 0.000) 0.370 4.560 ( -0.242 -0.036 0.000) 0.244 4.787 ( 0.809 -0.056 0.000) 0.811 4.801 ( -1.608 0.046 0.000) 1.608 4.838 ( 0.481 0.005 0.000) 0.482 4.927 ( 0.127 -0.003 0.000) 0.127 5.349 ( -1.913 -0.042 0.000) 1.913 5.414 ( 0.068 0.000 0.000) 0.068 5.468 ( 2.307 0.055 0.000) 2.307 5.748 ( -1.644 -0.002 0.000) 1.644 6.542 ( 0.422 0.001 0.000) 0.422 6.814 ( -0.588 -0.000 0.000) 0.588 ======================= Grid point 30 (22/129) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.954 0.392 0.000) 1.031 1.094 ( 3.191 0.218 0.000) 3.199 1.213 ( -3.316 -3.512 0.000) 4.830 1.474 ( -1.679 -0.171 0.000) 1.688 1.601 ( -3.308 -2.471 0.000) 4.129 1.648 ( -2.375 -0.703 0.000) 2.477 1.833 ( -3.429 -0.876 0.000) 3.539 1.859 ( -4.480 0.085 0.000) 4.481 1.960 ( 1.617 0.160 0.000) 1.625 2.023 ( 3.074 1.005 0.000) 3.234 2.199 ( -1.739 1.708 0.000) 2.437 2.206 ( -2.219 1.991 0.000) 2.981 2.523 ( 2.355 0.155 0.000) 2.360 2.776 ( -2.492 0.454 0.000) 2.533 2.834 ( -8.924 -0.019 0.000) 8.924 3.104 ( 2.521 1.611 0.000) 2.991 3.129 ( -6.648 -0.115 0.000) 6.649 3.151 ( 1.645 -0.734 0.000) 1.801 3.804 ( 2.011 -0.049 0.000) 2.012 4.073 ( 4.169 0.283 0.000) 4.179 4.195 ( 0.038 -0.078 0.000) 0.087 4.256 ( -6.026 -0.160 0.000) 6.029 4.352 ( -1.024 -0.313 0.000) 1.071 4.474 ( 1.691 0.026 0.000) 1.691 4.503 ( -4.176 0.012 0.000) 4.176 4.521 ( -0.810 -0.473 0.000) 0.938 4.638 ( -7.499 -0.067 0.000) 7.499 4.813 ( 1.424 0.062 0.000) 1.426 4.930 ( 0.153 0.084 0.000) 0.174 4.999 ( 8.308 -0.414 0.000) 8.318 5.213 ( -7.374 -0.355 0.000) 7.382 5.418 ( 0.355 0.041 0.000) 0.358 5.641 ( 10.252 0.952 0.000) 10.296 5.731 ( -0.066 -1.575 0.000) 1.577 6.563 ( 1.737 0.371 0.000) 1.776 6.801 ( -0.816 -0.501 0.000) 0.957 ======================= Grid point 31 (23/129) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -0.895 -0.256 0.000) 0.931 1.124 ( -0.633 0.553 0.000) 0.840 1.135 ( -7.986 -6.040 0.000) 10.013 1.406 ( -6.041 0.267 0.000) 6.047 1.566 ( -1.786 -4.797 0.000) 5.119 1.635 ( -0.027 -2.307 0.000) 2.308 1.742 ( -6.050 -0.986 0.000) 6.130 1.769 ( -3.162 0.284 0.000) 3.175 1.996 ( 1.784 0.066 0.000) 1.785 2.023 ( -2.275 4.877 0.000) 5.382 2.100 ( -5.252 2.501 0.000) 5.817 2.178 ( -0.617 -0.203 0.000) 0.650 2.573 ( 2.448 0.102 0.000) 2.450 2.599 ( -13.596 2.636 0.000) 13.849 2.697 ( -4.878 0.970 0.000) 4.974 2.925 ( -13.513 -0.249 0.000) 13.516 3.092 ( -3.774 0.542 0.000) 3.813 3.189 ( 1.782 0.418 0.000) 1.831 3.861 ( 3.245 0.026 0.000) 3.245 4.170 ( -2.442 -0.110 0.000) 2.444 4.183 ( 6.406 0.654 0.000) 6.440 4.200 ( 0.519 -0.081 0.000) 0.525 4.333 ( -1.026 -0.479 0.000) 1.132 4.397 ( -5.473 -0.225 0.000) 5.478 4.455 ( -3.674 -0.114 0.000) 3.675 4.520 ( 0.745 -0.305 0.000) 0.805 4.546 ( -1.634 -0.184 0.000) 1.644 4.820 ( -0.789 0.182 0.000) 0.810 4.935 ( 0.488 0.115 0.000) 0.501 5.087 ( -5.349 -0.415 0.000) 5.365 5.156 ( 6.359 -2.229 0.000) 6.739 5.428 ( 0.642 0.020 0.000) 0.642 5.711 ( -0.505 -2.147 0.000) 2.205 5.882 ( 11.588 0.324 0.000) 11.593 6.606 ( 2.806 0.951 0.000) 2.963 6.786 ( -1.041 -1.241 0.000) 1.620 ======================= Grid point 32 (24/129) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -11.787 -3.008 0.000) 12.164 0.980 ( -2.733 0.696 0.000) 2.820 1.066 ( -4.304 -1.624 0.000) 4.601 1.218 ( -11.581 -0.050 0.000) 11.581 1.554 ( -3.894 -4.987 0.000) 6.327 1.613 ( -5.020 -4.196 0.000) 6.543 1.655 ( -1.925 -2.361 0.000) 3.046 1.749 ( 0.986 1.458 0.000) 1.760 1.880 ( -9.759 6.986 0.000) 12.002 1.991 ( -3.752 0.455 0.000) 3.779 2.014 ( -0.872 -0.565 0.000) 1.039 2.156 ( -2.368 -1.368 0.000) 2.734 2.313 ( -10.599 4.976 0.000) 11.708 2.578 ( -6.225 1.383 0.000) 6.377 2.614 ( 0.655 -0.239 0.000) 0.698 2.623 ( -14.474 -0.262 0.000) 14.476 2.946 ( -10.433 0.009 0.000) 10.433 3.209 ( 0.893 1.196 0.000) 1.492 3.909 ( 0.966 0.238 0.000) 0.995 4.143 ( -1.406 0.131 0.000) 1.412 4.228 ( 2.609 0.026 0.000) 2.610 4.238 ( -2.243 1.427 0.000) 2.658 4.315 ( -2.419 -0.213 0.000) 2.429 4.342 ( -6.655 -0.318 0.000) 6.663 4.344 ( 1.938 -0.361 0.000) 1.971 4.533 ( 0.160 -0.171 0.000) 0.234 4.594 ( 5.878 0.078 0.000) 5.879 4.787 ( -1.943 0.243 0.000) 1.958 4.950 ( 1.123 0.059 0.000) 1.124 5.003 ( -3.109 -0.811 0.000) 3.213 5.265 ( 1.565 -7.117 0.000) 7.287 5.446 ( 1.142 -0.097 0.000) 1.147 5.717 ( 0.001 -3.111 0.000) 3.111 6.118 ( 12.279 1.337 0.000) 12.351 6.660 ( 2.993 1.413 0.000) 3.310 6.776 ( -0.688 -1.818 0.000) 1.944 ======================= Grid point 33 (25/129) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -11.492 3.549 0.000) 12.028 0.784 ( -15.142 2.280 0.000) 15.312 1.001 ( -7.646 -2.514 0.000) 8.048 1.066 ( 0.235 -3.142 0.000) 3.151 1.396 ( -16.839 4.030 0.000) 17.315 1.487 ( -8.042 -1.775 0.000) 8.236 1.606 ( -5.223 -0.879 0.000) 5.297 1.664 ( -3.487 -0.479 0.000) 3.520 1.764 ( 0.887 2.502 0.000) 2.655 1.919 ( -9.767 -1.261 0.000) 9.848 1.956 ( -1.391 -3.806 0.000) 4.053 2.110 ( -2.046 -0.785 0.000) 2.192 2.185 ( -0.442 2.208 0.000) 2.252 2.388 ( -6.504 -0.103 0.000) 6.505 2.442 ( -6.290 1.649 0.000) 6.503 2.642 ( 0.966 -0.672 0.000) 1.177 2.700 ( -13.250 -0.335 0.000) 13.255 3.232 ( 2.624 1.610 0.000) 3.079 3.891 ( -2.236 0.330 0.000) 2.260 4.034 ( -9.540 0.162 0.000) 9.541 4.126 ( -7.155 1.539 0.000) 7.318 4.270 ( -0.144 -0.170 0.000) 0.223 4.278 ( -2.331 -0.591 0.000) 2.405 4.300 ( 3.982 0.111 0.000) 3.983 4.357 ( -1.234 -0.027 0.000) 1.234 4.531 ( -0.476 -0.603 0.000) 0.768 4.696 ( 2.643 0.339 0.000) 2.665 4.764 ( -0.172 -0.098 0.000) 0.198 4.977 ( 1.460 0.018 0.000) 1.460 4.986 ( -0.141 -2.278 0.000) 2.283 5.278 ( -5.766 -15.185 0.000) 16.243 5.474 ( 1.536 -0.241 0.000) 1.555 5.752 ( 2.245 -1.370 0.000) 2.630 6.354 ( 12.210 2.656 0.000) 12.496 6.699 ( 1.184 0.192 0.000) 1.199 6.786 ( 1.177 -0.620 0.000) 1.331 ======================= Grid point 34 (26/129) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -18.467 2.001 0.000) 18.575 0.481 ( -7.058 12.183 0.000) 14.080 0.877 ( -5.220 -2.223 0.000) 5.673 0.916 ( -22.176 13.167 0.000) 25.790 1.140 ( 4.259 -4.936 0.000) 6.520 1.396 ( -2.811 0.254 0.000) 2.822 1.500 ( -3.692 2.467 0.000) 4.440 1.627 ( -3.285 -4.526 0.000) 5.592 1.641 ( -12.378 -1.052 0.000) 12.423 1.799 ( 0.123 3.023 0.000) 3.025 1.978 ( 1.099 -7.608 0.000) 7.687 2.105 ( 1.340 -0.424 0.000) 1.406 2.242 ( 6.855 0.890 0.000) 6.912 2.322 ( -4.013 2.171 0.000) 4.563 2.336 ( -0.416 -0.401 0.000) 0.578 2.458 ( -10.194 -0.450 0.000) 10.204 2.662 ( 0.526 -0.916 0.000) 1.056 3.299 ( 4.399 1.453 0.000) 4.633 3.837 ( -7.286 0.117 0.000) 7.287 3.840 ( -3.347 0.200 0.000) 3.353 3.970 ( -6.942 0.314 0.000) 6.949 4.203 ( -7.111 -3.385 0.000) 7.876 4.286 ( 0.976 0.079 0.000) 0.979 4.306 ( -3.078 0.258 0.000) 3.089 4.369 ( 2.573 0.137 0.000) 2.577 4.524 ( -2.110 -2.761 0.000) 3.475 4.662 ( -13.654 -9.030 0.000) 16.370 4.756 ( -1.635 -1.579 0.000) 2.273 4.882 ( -10.768 -5.346 0.000) 12.022 5.003 ( 1.028 0.028 0.000) 1.029 5.275 ( 0.091 -9.540 0.000) 9.540 5.504 ( 1.164 -0.313 0.000) 1.205 5.806 ( 2.361 0.279 0.000) 2.377 6.573 ( 11.152 3.513 0.000) 11.693 6.713 ( 0.078 -1.685 0.000) 1.687 6.816 ( 1.490 1.292 0.000) 1.972 ======================= Grid point 35 (27/129) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.114 ( 0.000 4.430 0.000) 4.430 0.351 ( 0.000 15.804 0.000) 15.804 0.513 ( 0.000 23.294 0.000) 23.294 0.832 ( -0.000 -1.641 0.000) 1.641 1.246 ( -0.000 -6.629 0.000) 6.629 1.362 ( 0.000 1.005 0.000) 1.005 1.453 ( 0.000 2.231 0.000) 2.231 1.479 ( -0.000 -0.062 0.000) 0.062 1.601 ( -0.000 -3.589 0.000) 3.589 1.786 ( 0.000 3.491 0.000) 3.491 2.051 ( -0.000 -8.231 0.000) 8.231 2.137 ( -0.000 -1.403 0.000) 1.403 2.277 ( 0.000 2.273 0.000) 2.273 2.330 ( 0.000 0.314 0.000) 0.314 2.338 ( -0.000 -0.505 0.000) 0.505 2.507 ( -0.000 -6.002 0.000) 6.002 2.672 ( -0.000 -0.894 0.000) 0.894 3.352 ( 0.000 0.951 0.000) 0.951 3.745 ( 0.000 0.132 0.000) 0.132 3.758 ( 0.000 0.169 0.000) 0.169 3.814 ( 0.000 0.097 0.000) 0.097 3.895 ( 0.000 0.086 0.000) 0.086 4.263 ( 0.000 0.177 0.000) 0.177 4.296 ( 0.000 0.126 0.000) 0.126 4.302 ( 0.000 0.146 0.000) 0.146 4.394 ( 0.000 0.128 0.000) 0.128 4.548 ( 0.000 0.654 0.000) 0.654 4.744 ( 0.000 0.200 0.000) 0.200 4.824 ( 0.000 1.394 0.000) 1.394 5.014 ( 0.000 0.036 0.000) 0.036 5.321 ( -0.000 -4.393 0.000) 4.393 5.518 ( -0.000 -0.292 0.000) 0.292 5.829 ( 0.000 0.561 0.000) 0.561 6.715 ( 0.000 0.054 0.000) 0.054 6.724 ( -0.000 -2.299 0.000) 2.299 6.823 ( 0.000 1.950 0.000) 1.950 ======================= Grid point 40 (28/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 2.546 0.000 0.000) 2.546 1.057 ( -1.431 -0.000 0.000) 1.431 1.289 ( -6.335 -0.000 0.000) 6.335 1.493 ( -0.404 -0.000 0.000) 0.404 1.646 ( -3.035 -0.000 0.000) 3.035 1.710 ( -2.713 -0.000 0.000) 2.713 1.876 ( -1.805 -0.000 0.000) 1.805 1.909 ( 0.128 0.000 0.000) 0.128 1.940 ( 0.324 0.000 0.000) 0.324 1.956 ( 3.106 0.000 0.000) 3.106 2.193 ( 3.160 0.000 0.000) 3.160 2.214 ( 3.650 0.000 0.000) 3.650 2.494 ( 0.295 0.000 0.000) 0.295 2.798 ( 0.590 0.000 0.000) 0.590 2.960 ( -3.798 -0.000 0.000) 3.798 3.049 ( 5.123 0.000 0.000) 5.123 3.115 ( -0.555 -0.000 0.000) 0.555 3.194 ( -0.171 -0.000 0.000) 0.171 3.785 ( -0.101 -0.000 0.000) 0.101 4.027 ( 0.530 0.000 0.000) 0.530 4.196 ( -0.148 -0.000 0.000) 0.148 4.368 ( -0.611 -0.000 0.000) 0.611 4.373 ( -1.329 -0.000 0.000) 1.329 4.407 ( 1.112 0.000 0.000) 1.112 4.526 ( -0.432 -0.000 0.000) 0.432 4.560 ( -0.274 -0.000 0.000) 0.274 4.787 ( 0.881 0.000 0.000) 0.881 4.801 ( -1.804 -0.000 0.000) 1.804 4.838 ( 0.556 0.000 0.000) 0.556 4.927 ( 0.147 0.000 0.000) 0.147 5.349 ( -2.199 -0.000 0.000) 2.199 5.414 ( 0.078 0.000 0.000) 0.078 5.469 ( 2.655 0.000 0.000) 2.655 5.748 ( -1.899 -0.000 0.000) 1.899 6.542 ( 0.487 0.000 0.000) 0.487 6.814 ( -0.679 -0.000 0.000) 0.679 ======================= Grid point 41 (29/129) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -1.414 0.151 0.000) 1.422 1.096 ( 3.755 0.073 0.000) 3.756 1.187 ( -4.664 -1.225 0.000) 4.822 1.472 ( -1.666 -0.064 0.000) 1.667 1.583 ( -3.412 -0.906 0.000) 3.530 1.643 ( -2.991 -0.229 0.000) 3.000 1.827 ( -3.439 -0.322 0.000) 3.454 1.860 ( -4.466 0.033 0.000) 4.466 1.962 ( 1.644 0.057 0.000) 1.645 2.029 ( 3.757 0.312 0.000) 3.770 2.211 ( -1.153 0.595 0.000) 1.297 2.221 ( -2.594 0.724 0.000) 2.693 2.524 ( 2.376 0.057 0.000) 2.377 2.779 ( -2.347 0.174 0.000) 2.354 2.834 ( -8.287 -0.008 0.000) 8.287 3.120 ( 1.810 1.181 0.000) 2.161 3.128 ( -6.688 -0.042 0.000) 6.689 3.142 ( 2.304 -0.862 0.000) 2.460 3.804 ( 2.012 -0.018 0.000) 2.012 4.075 ( 4.245 0.100 0.000) 4.247 4.195 ( 0.026 -0.028 0.000) 0.038 4.255 ( -6.027 -0.059 0.000) 6.027 4.350 ( -1.117 -0.106 0.000) 1.122 4.474 ( 1.651 0.009 0.000) 1.651 4.504 ( -4.526 0.067 0.000) 4.526 4.517 ( -0.577 -0.240 0.000) 0.625 4.637 ( -7.482 -0.027 0.000) 7.482 4.813 ( 1.456 0.019 0.000) 1.456 4.930 ( 0.174 0.030 0.000) 0.176 4.996 ( 7.997 -0.151 0.000) 7.998 5.210 ( -7.357 -0.131 0.000) 7.358 5.419 ( 0.361 0.015 0.000) 0.361 5.649 ( 10.986 0.475 0.000) 10.996 5.718 ( -1.167 -0.699 0.000) 1.360 6.566 ( 1.891 0.140 0.000) 1.896 6.797 ( -1.015 -0.188 0.000) 1.032 ======================= Grid point 42 (30/129) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -0.958 -0.106 0.000) 0.964 1.084 ( -7.307 -3.387 0.000) 8.054 1.128 ( -1.077 0.266 0.000) 1.109 1.409 ( -5.802 0.161 0.000) 5.804 1.526 ( -3.032 -2.634 0.000) 4.017 1.616 ( -0.274 -1.265 0.000) 1.294 1.734 ( -6.046 -0.543 0.000) 6.070 1.771 ( -2.919 0.172 0.000) 2.924 1.997 ( 1.627 0.032 0.000) 1.627 2.068 ( -0.264 3.349 0.000) 3.359 2.123 ( -5.724 1.696 0.000) 5.970 2.169 ( -2.460 -1.290 0.000) 2.777 2.574 ( 2.349 0.060 0.000) 2.349 2.621 ( -12.457 1.521 0.000) 12.550 2.705 ( -4.740 0.546 0.000) 4.771 2.923 ( -13.543 -0.145 0.000) 13.544 3.097 ( -4.126 0.310 0.000) 4.138 3.193 ( 2.149 0.249 0.000) 2.163 3.861 ( 3.314 0.014 0.000) 3.314 4.169 ( -2.381 -0.061 0.000) 2.381 4.189 ( 6.680 0.416 0.000) 6.693 4.199 ( 0.560 -0.049 0.000) 0.562 4.329 ( -0.979 -0.261 0.000) 1.013 4.395 ( -5.506 -0.141 0.000) 5.508 4.454 ( -3.741 -0.065 0.000) 3.741 4.518 ( 1.044 -0.157 0.000) 1.056 4.544 ( -1.843 -0.135 0.000) 1.848 4.822 ( -0.757 0.093 0.000) 0.762 4.936 ( 0.471 0.067 0.000) 0.475 5.083 ( -5.422 -0.238 0.000) 5.427 5.136 ( 5.161 -1.385 0.000) 5.343 5.428 ( 0.609 0.012 0.000) 0.609 5.694 ( -1.156 -1.122 0.000) 1.611 5.884 ( 12.008 0.136 0.000) 12.009 6.614 ( 3.086 0.625 0.000) 3.149 6.775 ( -1.367 -0.792 0.000) 1.580 ======================= Grid point 43 (31/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -8.367 -1.007 0.000) 8.427 0.987 ( -1.142 0.510 0.000) 1.251 1.051 ( -6.146 -1.158 0.000) 6.254 1.217 ( -12.329 -0.041 0.000) 12.329 1.487 ( -3.644 -6.306 0.000) 7.284 1.593 ( -6.246 -0.593 0.000) 6.274 1.631 ( -1.601 -2.276 0.000) 2.783 1.762 ( 1.604 1.077 0.000) 1.932 1.951 ( -9.404 6.168 0.000) 11.246 2.000 ( -4.534 1.263 0.000) 4.707 2.009 ( -1.306 -0.455 0.000) 1.383 2.134 ( -2.789 -2.789 0.000) 3.944 2.357 ( -10.917 3.208 0.000) 11.378 2.590 ( -6.164 0.953 0.000) 6.238 2.612 ( 0.851 -0.154 0.000) 0.865 2.620 ( -14.787 -0.209 0.000) 14.788 2.946 ( -10.619 0.025 0.000) 10.619 3.220 ( 1.134 0.841 0.000) 1.412 3.911 ( 1.054 0.172 0.000) 1.068 4.144 ( -1.265 0.095 0.000) 1.268 4.229 ( 2.664 0.020 0.000) 2.664 4.252 ( -1.996 1.171 0.000) 2.314 4.313 ( -2.499 -0.095 0.000) 2.501 4.339 ( -6.740 -0.233 0.000) 6.744 4.341 ( 2.359 -0.107 0.000) 2.361 4.531 ( -0.058 -0.134 0.000) 0.146 4.595 ( 6.481 0.119 0.000) 6.483 4.789 ( -2.002 0.140 0.000) 2.007 4.951 ( 1.088 0.042 0.000) 1.089 4.995 ( -3.397 -0.623 0.000) 3.454 5.194 ( -1.934 -5.848 0.000) 6.160 5.445 ( 1.075 -0.072 0.000) 1.077 5.692 ( 0.694 -1.649 0.000) 1.789 6.129 ( 12.601 0.748 0.000) 12.624 6.675 ( 3.198 1.528 0.000) 3.544 6.756 ( -0.911 -1.822 0.000) 2.037 ======================= Grid point 44 (32/129) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -5.886 7.059 0.000) 9.191 0.806 ( -15.427 1.679 0.000) 15.518 0.974 ( -7.576 -2.161 0.000) 7.878 1.037 ( -0.701 -2.373 0.000) 2.475 1.386 ( -12.996 -5.992 0.000) 14.311 1.470 ( -5.010 -0.256 0.000) 5.016 1.596 ( -3.076 -0.526 0.000) 3.120 1.698 ( -8.993 5.645 0.000) 10.617 1.789 ( 1.043 2.284 0.000) 2.511 1.904 ( -9.807 -1.391 0.000) 9.905 1.919 ( -4.072 -3.254 0.000) 5.212 2.097 ( -1.457 -1.597 0.000) 2.161 2.206 ( -2.494 1.681 0.000) 3.008 2.387 ( -6.553 -0.084 0.000) 6.554 2.457 ( -6.262 1.230 0.000) 6.382 2.636 ( 0.780 -0.585 0.000) 0.975 2.697 ( -13.360 -0.241 0.000) 13.363 3.248 ( 2.667 1.321 0.000) 2.977 3.894 ( -2.254 0.286 0.000) 2.273 4.036 ( -9.626 0.129 0.000) 9.627 4.144 ( -7.278 1.822 0.000) 7.503 4.268 ( 0.035 -0.125 0.000) 0.130 4.271 ( -2.859 -0.589 0.000) 2.919 4.301 ( 4.023 0.080 0.000) 4.024 4.358 ( -1.038 0.239 0.000) 1.065 4.522 ( -1.180 -1.130 0.000) 1.633 4.702 ( 1.877 0.918 0.000) 2.089 4.761 ( -0.744 -0.458 0.000) 0.873 4.964 ( -2.206 -1.747 0.000) 2.814 4.977 ( 1.454 0.012 0.000) 1.454 5.130 ( -6.303 -12.380 0.000) 13.892 5.472 ( 1.470 -0.217 0.000) 1.486 5.743 ( 3.379 -0.528 0.000) 3.420 6.376 ( 12.501 1.567 0.000) 12.599 6.700 ( -0.118 0.093 0.000) 0.150 6.781 ( 2.492 -0.456 0.000) 2.534 ======================= Grid point 45 (33/129) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -18.580 1.438 0.000) 18.636 0.626 ( -3.211 14.740 0.000) 15.085 0.848 ( -5.378 -3.160 0.000) 6.238 1.037 ( -17.033 9.002 0.000) 19.266 1.094 ( 3.588 -3.633 0.000) 5.106 1.401 ( -2.017 0.824 0.000) 2.179 1.526 ( -3.045 2.310 0.000) 3.822 1.580 ( -3.986 -3.706 0.000) 5.443 1.632 ( -12.467 -0.666 0.000) 12.485 1.827 ( 0.693 2.252 0.000) 2.356 1.897 ( -0.155 -7.540 0.000) 7.542 2.098 ( 0.859 -0.857 0.000) 1.213 2.240 ( 6.124 -1.177 0.000) 6.236 2.332 ( -0.574 -0.384 0.000) 0.691 2.341 ( -4.042 1.417 0.000) 4.283 2.454 ( -10.126 -0.372 0.000) 10.132 2.652 ( 0.428 -0.925 0.000) 1.019 3.314 ( 4.226 1.377 0.000) 4.445 3.838 ( -7.685 0.128 0.000) 7.686 3.842 ( -3.009 0.184 0.000) 3.015 3.975 ( -7.742 0.704 0.000) 7.774 4.158 ( -12.696 -5.013 0.000) 13.650 4.287 ( 1.056 0.100 0.000) 1.061 4.309 ( -3.061 0.271 0.000) 3.073 4.370 ( 2.569 0.117 0.000) 2.572 4.464 ( -11.748 -7.187 0.000) 13.772 4.603 ( -8.511 -1.521 0.000) 8.645 4.750 ( -0.383 -0.073 0.000) 0.390 4.861 ( -3.128 -0.272 0.000) 3.140 5.004 ( 1.039 0.026 0.000) 1.039 5.192 ( 3.928 -6.716 0.000) 7.780 5.501 ( 1.131 -0.336 0.000) 1.180 5.809 ( 2.744 0.380 0.000) 2.770 6.600 ( 10.107 1.677 0.000) 10.245 6.696 ( -0.445 -1.482 0.000) 1.547 6.829 ( 2.028 1.108 0.000) 2.311 ======================= Grid point 46 (34/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.152 ( 0.000 2.620 0.000) 2.620 0.510 ( 0.000 14.117 0.000) 14.117 0.749 ( 0.000 21.191 0.000) 21.191 0.808 ( -0.000 -2.919 0.000) 2.919 1.178 ( -0.000 -5.753 0.000) 5.753 1.374 ( 0.000 1.245 0.000) 1.245 1.478 ( -0.000 -0.071 0.000) 0.071 1.481 ( 0.000 2.872 0.000) 2.872 1.556 ( -0.000 -4.802 0.000) 4.802 1.821 ( 0.000 2.985 0.000) 2.985 1.961 ( -0.000 -8.768 0.000) 8.768 2.121 ( -0.000 -1.623 0.000) 1.623 2.295 ( 0.000 1.162 0.000) 1.162 2.332 ( -0.000 -0.562 0.000) 0.562 2.334 ( 0.000 0.319 0.000) 0.319 2.434 ( -0.000 -7.708 0.000) 7.708 2.662 ( -0.000 -1.044 0.000) 1.044 3.363 ( 0.000 1.090 0.000) 1.090 3.747 ( 0.000 0.152 0.000) 0.152 3.760 ( 0.000 0.196 0.000) 0.196 3.815 ( 0.000 0.112 0.000) 0.112 3.896 ( 0.000 0.098 0.000) 0.098 4.266 ( 0.000 0.205 0.000) 0.205 4.298 ( 0.000 0.166 0.000) 0.166 4.304 ( 0.000 0.167 0.000) 0.167 4.396 ( 0.000 0.124 0.000) 0.124 4.558 ( 0.000 1.153 0.000) 1.153 4.747 ( 0.000 0.215 0.000) 0.215 4.839 ( 0.000 1.518 0.000) 1.518 5.014 ( 0.000 0.041 0.000) 0.041 5.269 ( -0.000 -5.380 0.000) 5.380 5.515 ( -0.000 -0.367 0.000) 0.367 5.836 ( 0.000 0.631 0.000) 0.631 6.701 ( -0.000 -2.065 0.000) 2.065 6.715 ( 0.000 0.063 0.000) 0.063 6.842 ( 0.000 1.685 0.000) 1.685 ======================= Grid point 53 (35/129) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -0.973 -0.000 0.000) 0.973 1.066 ( -7.039 -0.000 0.000) 7.039 1.130 ( -1.252 -0.000 0.000) 1.252 1.409 ( -5.710 -0.000 0.000) 5.710 1.512 ( -3.508 -0.000 0.000) 3.508 1.609 ( -0.362 -0.000 0.000) 0.362 1.731 ( -6.045 -0.000 0.000) 6.045 1.772 ( -2.830 -0.000 0.000) 2.830 1.997 ( 1.568 0.000 0.000) 1.568 2.087 ( 1.047 0.000 0.000) 1.047 2.134 ( -5.340 -0.000 0.000) 5.340 2.158 ( -4.242 -0.000 0.000) 4.242 2.574 ( 2.312 0.000 0.000) 2.312 2.629 ( -12.055 -0.000 0.000) 12.055 2.708 ( -4.696 -0.000 0.000) 4.696 2.922 ( -13.554 -0.000 0.000) 13.554 3.098 ( -4.260 -0.000 0.000) 4.260 3.194 ( 2.286 0.000 0.000) 2.286 3.861 ( 3.339 0.000 0.000) 3.339 4.169 ( -2.359 -0.000 0.000) 2.359 4.191 ( 6.803 0.000 0.000) 6.803 4.199 ( 0.575 0.000 0.000) 0.575 4.328 ( -0.966 -0.000 0.000) 0.966 4.394 ( -5.527 -0.000 0.000) 5.527 4.453 ( -3.765 -0.000 0.000) 3.765 4.517 ( 1.185 0.000 0.000) 1.185 4.543 ( -1.941 -0.000 0.000) 1.941 4.822 ( -0.745 -0.000 0.000) 0.745 4.936 ( 0.464 0.000 0.000) 0.464 5.082 ( -5.462 -0.000 0.000) 5.462 5.128 ( 4.698 0.000 0.000) 4.698 5.428 ( 0.598 0.000 0.000) 0.598 5.688 ( -1.355 -0.000 0.000) 1.355 5.885 ( 12.143 0.000 0.000) 12.143 6.618 ( 3.217 0.000 0.000) 3.217 6.771 ( -1.514 -0.000 0.000) 1.514 ======================= Grid point 55 (36/129) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -5.755 -0.064 0.000) 5.755 0.990 ( -0.151 0.187 0.000) 0.241 1.043 ( -7.216 -0.418 0.000) 7.229 1.217 ( -12.811 -0.016 0.000) 12.811 1.438 ( -4.911 -2.556 0.000) 5.536 1.592 ( -6.615 0.310 0.000) 6.622 1.611 ( -1.021 -1.300 0.000) 1.653 1.770 ( 1.960 0.398 0.000) 2.000 1.993 ( -8.067 1.284 0.000) 8.169 2.005 ( -1.578 -0.177 0.000) 1.588 2.026 ( -6.696 3.447 0.000) 7.531 2.100 ( -2.165 -3.029 0.000) 3.723 2.380 ( -11.179 1.108 0.000) 11.234 2.597 ( -6.131 0.340 0.000) 6.141 2.611 ( 1.229 -0.051 0.000) 1.230 2.619 ( -15.232 -0.081 0.000) 15.232 2.946 ( -10.718 0.013 0.000) 10.718 3.226 ( 1.261 0.301 0.000) 1.297 3.912 ( 1.104 0.062 0.000) 1.106 4.145 ( -1.184 0.035 0.000) 1.185 4.229 ( 2.697 0.008 0.000) 2.697 4.261 ( -1.904 0.431 0.000) 1.952 4.313 ( -2.539 -0.023 0.000) 2.539 4.338 ( -6.790 -0.086 0.000) 6.791 4.341 ( 2.776 0.039 0.000) 2.777 4.530 ( -0.249 -0.052 0.000) 0.255 4.596 ( 6.972 0.065 0.000) 6.972 4.790 ( -2.080 0.032 0.000) 2.080 4.951 ( 1.068 0.015 0.000) 1.068 4.990 ( -3.545 -0.230 0.000) 3.552 5.150 ( -4.067 -2.275 0.000) 4.660 5.444 ( 1.035 -0.027 0.000) 1.035 5.681 ( 1.124 -0.506 0.000) 1.233 6.134 ( 12.759 0.239 0.000) 12.762 6.689 ( 3.865 0.920 0.000) 3.973 6.740 ( -1.588 -1.028 0.000) 1.892 ======================= Grid point 56 (37/129) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -15.632 0.511 0.000) 15.641 0.852 ( -0.467 6.934 0.000) 6.949 0.960 ( -8.968 -0.409 0.000) 8.978 1.015 ( 0.002 -1.742 0.000) 1.742 1.307 ( -11.632 -7.312 0.000) 13.739 1.473 ( -4.175 0.375 0.000) 4.192 1.590 ( -1.993 -0.614 0.000) 2.085 1.764 ( -10.903 6.172 0.000) 12.529 1.810 ( 1.648 1.572 0.000) 2.278 1.886 ( -6.875 -3.172 0.000) 7.572 1.891 ( -10.366 -1.119 0.000) 10.426 2.080 ( -0.573 -1.313 0.000) 1.432 2.219 ( -3.897 0.831 0.000) 3.985 2.386 ( -6.588 -0.046 0.000) 6.588 2.467 ( -6.314 0.644 0.000) 6.347 2.631 ( 0.642 -0.339 0.000) 0.726 2.695 ( -13.433 -0.117 0.000) 13.433 3.259 ( 2.700 0.734 0.000) 2.798 3.896 ( -2.267 0.165 0.000) 2.273 4.037 ( -9.690 0.070 0.000) 9.690 4.161 ( -7.128 1.356 0.000) 7.255 4.266 ( -3.497 -0.415 0.000) 3.521 4.267 ( 0.165 -0.064 0.000) 0.176 4.302 ( 4.055 0.041 0.000) 4.055 4.362 ( -0.935 0.373 0.000) 1.007 4.509 ( -2.383 -1.144 0.000) 2.643 4.716 ( 1.274 1.618 0.000) 2.060 4.753 ( -1.442 -1.168 0.000) 1.856 4.953 ( -4.520 -0.250 0.000) 4.527 4.977 ( 1.450 0.006 0.000) 1.450 5.024 ( -3.638 -7.567 0.000) 8.396 5.470 ( 1.417 -0.129 0.000) 1.423 5.739 ( 3.924 -0.185 0.000) 3.928 6.388 ( 12.597 0.720 0.000) 12.618 6.701 ( -1.226 0.017 0.000) 1.226 6.777 ( 3.612 -0.223 0.000) 3.619 ======================= Grid point 57 (38/129) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -18.946 0.464 0.000) 18.952 0.783 ( -2.939 14.476 0.000) 14.772 0.815 ( -5.729 -2.762 0.000) 6.360 1.065 ( 3.191 -1.883 0.000) 3.705 1.090 ( -9.153 0.510 0.000) 9.167 1.414 ( -1.625 1.519 0.000) 2.224 1.541 ( -2.864 0.371 0.000) 2.888 1.563 ( -6.227 0.813 0.000) 6.280 1.627 ( -12.495 -0.375 0.000) 12.501 1.822 ( -1.209 -6.397 0.000) 6.510 1.846 ( 1.066 1.346 0.000) 1.717 2.089 ( 0.639 -0.816 0.000) 1.036 2.222 ( 3.983 -1.975 0.000) 4.445 2.328 ( -0.708 -0.269 0.000) 0.757 2.353 ( -4.264 0.718 0.000) 4.324 2.451 ( -10.038 -0.211 0.000) 10.041 2.643 ( 0.342 -0.683 0.000) 0.764 3.327 ( 4.080 0.966 0.000) 4.193 3.839 ( -8.066 0.098 0.000) 8.067 3.843 ( -2.677 0.128 0.000) 2.680 3.985 ( -8.682 1.212 0.000) 8.766 4.104 ( -16.966 -4.884 0.000) 17.655 4.288 ( 1.125 0.086 0.000) 1.128 4.311 ( -3.201 0.236 0.000) 3.210 4.371 ( 2.564 0.073 0.000) 2.566 4.404 ( -10.141 -3.863 0.000) 10.852 4.603 ( -4.291 0.717 0.000) 4.351 4.751 ( -0.159 0.093 0.000) 0.184 4.862 ( -1.014 0.315 0.000) 1.062 5.004 ( 1.049 0.017 0.000) 1.050 5.131 ( 5.156 -4.701 0.000) 6.978 5.497 ( 1.097 -0.262 0.000) 1.128 5.813 ( 2.968 0.292 0.000) 2.982 6.612 ( 9.444 0.782 0.000) 9.476 6.682 ( -0.779 -1.010 0.000) 1.276 6.838 ( 2.380 0.748 0.000) 2.495 ======================= Grid point 58 (39/129) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.169 ( 0.000 0.481 0.000) 0.481 0.645 ( 0.000 11.266 0.000) 11.266 0.773 ( -0.000 -3.520 0.000) 3.520 0.955 ( 0.000 17.482 0.000) 17.482 1.129 ( -0.000 -3.489 0.000) 3.489 1.387 ( 0.000 1.275 0.000) 1.275 1.477 ( -0.000 -0.062 0.000) 0.062 1.502 ( -0.000 -5.135 0.000) 5.135 1.512 ( 0.000 2.937 0.000) 2.937 1.848 ( 0.000 2.023 0.000) 2.023 1.870 ( -0.000 -8.245 0.000) 8.245 2.105 ( -0.000 -1.418 0.000) 1.418 2.303 ( 0.000 0.165 0.000) 0.165 2.327 ( -0.000 -0.468 0.000) 0.468 2.337 ( 0.000 0.246 0.000) 0.246 2.351 ( -0.000 -7.377 0.000) 7.377 2.651 ( -0.000 -0.915 0.000) 0.915 3.374 ( 0.000 0.940 0.000) 0.940 3.748 ( 0.000 0.133 0.000) 0.133 3.762 ( 0.000 0.171 0.000) 0.171 3.816 ( 0.000 0.096 0.000) 0.096 3.897 ( 0.000 0.083 0.000) 0.083 4.268 ( 0.000 0.178 0.000) 0.178 4.299 ( 0.000 0.161 0.000) 0.161 4.306 ( 0.000 0.144 0.000) 0.144 4.397 ( 0.000 0.088 0.000) 0.088 4.572 ( 0.000 1.466 0.000) 1.466 4.749 ( 0.000 0.121 0.000) 0.121 4.854 ( 0.000 1.257 0.000) 1.257 5.015 ( 0.000 0.035 0.000) 0.035 5.212 ( -0.000 -5.021 0.000) 5.021 5.511 ( -0.000 -0.344 0.000) 0.344 5.842 ( 0.000 0.537 0.000) 0.537 6.681 ( -0.000 -1.564 0.000) 1.564 6.716 ( 0.000 0.055 0.000) 0.055 6.858 ( 0.000 1.255 0.000) 1.255 ======================= Grid point 67 (40/129) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -15.607 -0.000 0.000) 15.607 0.895 ( 2.575 0.000 0.000) 2.575 0.960 ( -10.787 -0.000 0.000) 10.787 1.004 ( 1.453 0.000 0.000) 1.453 1.262 ( -12.633 -0.000 0.000) 12.633 1.475 ( -3.970 -0.000 0.000) 3.970 1.586 ( -1.519 -0.000 0.000) 1.519 1.808 ( -11.138 -0.000 0.000) 11.138 1.820 ( 2.339 0.000 0.000) 2.339 1.859 ( -8.139 -0.000 0.000) 8.139 1.884 ( -11.046 -0.000 0.000) 11.046 2.073 ( -0.084 -0.000 0.000) 0.084 2.224 ( -4.402 -0.000 0.000) 4.402 2.386 ( -6.600 -0.000 0.000) 6.600 2.471 ( -6.349 -0.000 0.000) 6.349 2.629 ( 0.591 0.000 0.000) 0.591 2.695 ( -13.457 -0.000 0.000) 13.457 3.263 ( 2.713 0.000 0.000) 2.713 3.897 ( -2.271 -0.000 0.000) 2.271 4.037 ( -9.713 -0.000 0.000) 9.713 4.169 ( -6.951 -0.000 0.000) 6.951 4.264 ( -3.840 -0.000 0.000) 3.840 4.267 ( 0.212 0.000 0.000) 0.212 4.302 ( 4.067 0.000 0.000) 4.067 4.364 ( -0.903 -0.000 0.000) 0.903 4.502 ( -3.064 -0.000 0.000) 3.064 4.731 ( 3.792 0.000 0.000) 3.792 4.740 ( -4.522 -0.000 0.000) 4.522 4.958 ( -11.061 -0.000 0.000) 11.061 4.976 ( 3.534 0.000 0.000) 3.534 4.977 ( 1.448 0.000 0.000) 1.448 5.469 ( 1.397 0.000 0.000) 1.397 5.738 ( 4.087 0.000 0.000) 4.087 6.392 ( 12.619 0.000 0.000) 12.619 6.701 ( -1.657 -0.000 0.000) 1.657 6.776 ( 4.049 0.000 0.000) 4.049 ======================= Grid point 69 (41/129) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -19.280 -0.019 0.000) 19.280 0.795 ( -6.089 -1.040 0.000) 6.177 0.922 ( -8.057 11.075 0.000) 13.696 1.052 ( 1.454 -6.478 0.000) 6.639 1.052 ( 3.067 -0.552 0.000) 3.116 1.427 ( -1.176 0.686 0.000) 1.362 1.548 ( -4.271 0.779 0.000) 4.341 1.578 ( -7.639 1.139 0.000) 7.723 1.624 ( -12.495 -0.122 0.000) 12.495 1.770 ( -1.565 -3.049 0.000) 3.427 1.855 ( 1.240 0.443 0.000) 1.316 2.083 ( 0.613 -0.335 0.000) 0.699 2.205 ( 2.230 -0.960 0.000) 2.428 2.327 ( -0.783 -0.096 0.000) 0.789 2.357 ( -4.424 0.207 0.000) 4.428 2.449 ( -9.980 -0.062 0.000) 9.980 2.638 ( 0.292 -0.251 0.000) 0.385 3.334 ( 3.999 0.345 0.000) 4.014 3.840 ( -8.299 0.037 0.000) 8.300 3.844 ( -2.470 0.045 0.000) 2.470 3.999 ( -8.871 1.137 0.000) 8.943 4.063 ( -18.698 -2.504 0.000) 18.865 4.288 ( 1.164 0.034 0.000) 1.165 4.313 ( -3.405 0.104 0.000) 3.406 4.372 ( 2.561 0.024 0.000) 2.561 4.379 ( -7.589 -1.097 0.000) 7.668 4.610 ( -3.262 0.455 0.000) 3.293 4.751 ( -0.164 0.040 0.000) 0.168 4.865 ( -0.307 0.157 0.000) 0.345 5.004 ( 1.056 0.006 0.000) 1.056 5.096 ( 5.553 -1.761 0.000) 5.826 5.495 ( 1.075 -0.099 0.000) 1.080 5.815 ( 3.079 0.108 0.000) 3.080 6.617 ( 9.141 0.232 0.000) 9.144 6.675 ( -0.942 -0.358 0.000) 1.008 6.844 ( 2.555 0.265 0.000) 2.569 ======================= Grid point 70 (42/129) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.165 ( -0.000 -0.774 0.000) 0.774 0.740 ( -0.000 -2.371 0.000) 2.371 0.741 ( 0.000 6.602 0.000) 6.602 1.104 ( -0.000 -1.452 0.000) 1.452 1.108 ( 0.000 10.814 0.000) 10.814 1.401 ( 0.000 1.348 0.000) 1.348 1.452 ( -0.000 -4.120 0.000) 4.120 1.477 ( -0.000 -0.035 0.000) 0.035 1.539 ( 0.000 2.051 0.000) 2.051 1.793 ( -0.000 -5.745 0.000) 5.745 1.864 ( 0.000 0.994 0.000) 0.994 2.092 ( -0.000 -0.828 0.000) 0.828 2.276 ( -0.000 -4.668 0.000) 4.668 2.311 ( -0.000 -0.281 0.000) 0.281 2.323 ( -0.000 -0.261 0.000) 0.261 2.339 ( 0.000 0.131 0.000) 0.131 2.643 ( -0.000 -0.533 0.000) 0.533 3.382 ( 0.000 0.541 0.000) 0.541 3.750 ( 0.000 0.077 0.000) 0.077 3.763 ( 0.000 0.099 0.000) 0.099 3.817 ( 0.000 0.055 0.000) 0.055 3.898 ( 0.000 0.047 0.000) 0.047 4.269 ( 0.000 0.103 0.000) 0.103 4.301 ( 0.000 0.100 0.000) 0.100 4.307 ( 0.000 0.083 0.000) 0.083 4.398 ( 0.000 0.043 0.000) 0.043 4.586 ( 0.000 1.126 0.000) 1.126 4.749 ( 0.000 0.009 0.000) 0.009 4.865 ( 0.000 0.707 0.000) 0.707 5.015 ( 0.000 0.020 0.000) 0.020 5.168 ( -0.000 -3.105 0.000) 3.105 5.508 ( -0.000 -0.211 0.000) 0.211 5.847 ( 0.000 0.307 0.000) 0.307 6.669 ( -0.000 -0.843 0.000) 0.843 6.716 ( 0.000 0.032 0.000) 0.032 6.868 ( 0.000 0.673 0.000) 0.673 ======================= Grid point 82 (43/129) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.160 ( 0.000 0.000 0.000) 0.000 0.727 ( 0.000 0.000 0.000) 0.000 0.777 ( 0.000 0.000 0.000) 0.000 1.096 ( 0.000 0.000 0.000) 0.000 1.168 ( 0.000 0.000 0.000) 0.000 1.418 ( 0.000 0.000 0.000) 0.000 1.419 ( -0.000 -0.000 0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.760 ( -0.000 -0.000 0.000) 0.000 1.869 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.311 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 3.385 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.307 ( 0.000 0.000 0.000) 0.000 4.398 ( 0.000 0.000 0.000) 0.000 4.593 ( -0.000 -0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 4.869 ( 0.000 0.000 0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.507 ( 0.000 0.000 0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 6.717 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/129) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.147 ( 0.000 0.000 9.000) 9.000 0.363 ( 0.000 0.000 19.534) 19.534 0.566 ( 0.000 0.000 16.783) 16.783 0.886 ( 0.000 0.000 8.946) 8.946 1.228 ( 0.000 0.000 -10.557) 10.557 1.321 ( 0.000 0.000 -1.512) 1.512 1.453 ( 0.000 0.000 3.764) 3.764 1.541 ( 0.000 0.000 4.005) 4.005 1.637 ( 0.000 0.000 -0.336) 0.336 1.846 ( 0.000 0.000 4.989) 4.989 2.147 ( 0.000 0.000 -1.471) 1.471 2.147 ( 0.000 0.000 -5.186) 5.186 2.167 ( 0.000 0.000 1.466) 1.466 2.198 ( 0.000 0.000 -0.173) 0.173 2.307 ( 0.000 0.000 -2.010) 2.010 2.312 ( 0.000 0.000 -3.786) 3.786 2.927 ( 0.000 0.000 0.558) 0.558 3.246 ( 0.000 0.000 -8.949) 8.949 3.746 ( 0.000 0.000 0.190) 0.190 3.755 ( 0.000 0.000 -0.066) 0.066 3.822 ( 0.000 0.000 0.952) 0.952 3.887 ( 0.000 0.000 -0.714) 0.714 4.265 ( 0.000 0.000 0.357) 0.357 4.296 ( 0.000 0.000 -0.440) 0.440 4.303 ( 0.000 0.000 0.970) 0.970 4.479 ( 0.000 0.000 -4.934) 4.934 4.741 ( 0.000 0.000 1.287) 1.287 4.746 ( 0.000 0.000 4.816) 4.816 4.812 ( 0.000 0.000 0.990) 0.990 5.122 ( 0.000 0.000 -6.384) 6.384 5.595 ( 0.000 0.000 6.491) 6.491 5.846 ( 0.000 0.000 1.626) 1.626 5.971 ( 0.000 0.000 -0.327) 0.327 6.355 ( 0.000 0.000 -8.243) 8.243 6.844 ( 0.000 0.000 5.020) 5.020 7.047 ( 0.000 0.000 -1.546) 1.546 ======================= Grid point 152 (45/129) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 16.263 -1.043 4.073) 16.798 0.530 ( 12.938 -3.031 9.945) 16.598 0.789 ( 14.856 -1.967 2.103) 15.133 1.004 ( 13.804 -0.912 17.958) 22.668 1.176 ( -3.214 0.524 -5.365) 6.276 1.376 ( 4.756 0.463 -1.814) 5.111 1.469 ( 1.566 -0.609 2.178) 2.751 1.672 ( 11.072 0.673 -0.121) 11.093 1.686 ( 4.600 1.225 -0.464) 4.783 1.807 ( -1.419 -0.504 6.691) 6.858 2.077 ( -3.176 -0.264 -0.887) 3.309 2.115 ( -1.450 4.808 -2.215) 5.488 2.157 ( -2.171 -3.056 -2.609) 4.567 2.278 ( 6.056 -0.396 -0.042) 6.069 2.318 ( 1.302 -0.235 -2.575) 2.895 2.444 ( 10.127 0.134 -2.276) 10.380 2.763 ( -5.322 -0.035 6.606) 8.483 3.190 ( -4.430 -0.640 -8.785) 9.860 3.837 ( 8.143 -0.043 0.220) 8.146 3.842 ( 2.422 -0.073 0.578) 2.491 3.954 ( 5.827 0.023 -1.262) 5.962 4.103 ( 11.988 0.481 -12.067) 17.017 4.286 ( 0.116 0.021 0.213) 0.243 4.315 ( 2.633 -0.046 1.291) 2.933 4.334 ( 1.224 -0.045 -1.551) 1.976 4.482 ( 0.754 -0.114 -5.003) 5.061 4.733 ( -0.531 0.671 0.996) 1.314 4.793 ( -1.397 0.048 0.209) 1.414 4.812 ( 4.549 0.541 -3.121) 5.543 5.072 ( -4.375 0.559 -5.682) 7.193 5.574 ( -1.469 1.304 6.218) 6.521 5.827 ( -3.048 8.422 1.479) 9.078 5.854 ( -4.268 0.086 7.078) 8.266 6.322 ( -4.503 -3.039 -8.305) 9.924 6.836 ( -0.698 0.043 4.033) 4.093 6.877 ( -8.201 1.135 7.261) 11.012 ======================= Grid point 153 (46/129) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 17.438 2.217 2.253) 17.722 0.806 ( 11.771 -1.734 3.171) 12.314 1.051 ( 11.588 -0.647 1.402) 11.691 1.126 ( -0.772 0.904 -0.864) 1.470 1.400 ( 19.510 -3.962 14.241) 24.478 1.479 ( 5.302 1.397 -1.133) 5.599 1.535 ( 4.500 -3.003 -1.884) 5.728 1.780 ( 4.268 4.633 1.178) 6.408 1.811 ( 2.948 1.190 6.216) 6.981 1.877 ( 7.430 2.003 -4.915) 9.131 2.030 ( -0.960 -1.463 0.682) 1.878 2.085 ( -0.325 -0.352 -1.171) 1.265 2.147 ( 0.759 -0.858 -1.435) 1.836 2.359 ( 5.915 0.003 -3.064) 6.661 2.439 ( 7.965 -0.551 2.612) 8.400 2.640 ( 4.456 0.194 -2.192) 4.969 2.739 ( 5.987 0.023 3.567) 6.969 3.123 ( -2.146 -1.146 -8.164) 8.519 3.897 ( 2.542 -0.231 1.333) 2.880 4.022 ( 8.805 -0.317 -1.242) 8.898 4.083 ( 5.979 -0.217 -1.549) 6.181 4.235 ( 3.690 0.130 -5.014) 6.227 4.282 ( 0.566 0.199 0.517) 0.792 4.299 ( -3.670 0.032 -0.276) 3.681 4.373 ( 2.016 0.009 1.467) 2.493 4.508 ( 1.253 -0.165 -2.810) 3.081 4.701 ( -2.998 0.200 0.843) 3.120 4.767 ( -0.476 0.021 0.555) 0.731 4.877 ( 1.883 0.547 -6.413) 6.706 4.979 ( -3.190 0.605 -4.567) 5.604 5.533 ( -1.775 1.285 5.540) 5.958 5.665 ( -7.206 4.293 8.062) 11.634 5.826 ( -0.560 2.748 0.505) 2.849 6.207 ( -8.240 -2.472 -6.624) 10.858 6.755 ( -4.502 0.257 5.097) 6.805 6.821 ( -0.558 0.531 1.984) 2.128 ======================= Grid point 154 (47/129) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 4.994 -0.307 0.908) 5.086 1.040 ( 11.204 3.102 -0.930) 11.663 1.121 ( 5.065 2.503 2.495) 6.176 1.305 ( 11.378 -0.323 5.316) 12.562 1.581 ( 6.190 0.893 -0.626) 6.286 1.659 ( 5.952 -2.003 -0.126) 6.281 1.698 ( 7.192 -3.436 3.082) 8.546 1.766 ( -1.405 4.817 1.388) 5.206 1.862 ( 0.761 3.497 2.783) 4.534 1.945 ( 2.223 0.927 -3.245) 4.042 2.052 ( 0.185 -1.720 1.125) 2.063 2.165 ( 0.942 -0.062 0.765) 1.215 2.216 ( 13.662 -5.265 3.279) 15.004 2.526 ( 7.567 -1.071 -1.635) 7.815 2.622 ( -2.637 0.216 0.001) 2.646 2.645 ( 13.603 0.194 0.863) 13.632 2.943 ( 9.883 -0.013 -0.267) 9.887 3.117 ( 0.466 -1.090 -6.768) 6.872 3.923 ( -0.623 -0.253 2.034) 2.142 4.144 ( 1.195 -0.113 0.283) 1.233 4.157 ( 2.663 -0.658 -4.851) 5.573 4.227 ( -2.621 0.011 -0.335) 2.643 4.294 ( 3.011 0.078 -2.318) 3.800 4.324 ( 1.992 0.352 -1.303) 2.406 4.401 ( 2.480 0.193 2.785) 3.734 4.519 ( -0.075 -0.006 -1.704) 1.706 4.616 ( -4.151 0.103 2.550) 4.872 4.785 ( 1.947 -0.132 0.555) 2.028 4.893 ( 0.403 0.599 -4.845) 4.898 4.971 ( 2.180 0.487 -4.298) 4.843 5.476 ( -5.282 2.866 7.317) 9.469 5.513 ( -4.170 0.150 6.453) 7.685 5.793 ( -1.117 3.247 -1.463) 3.732 6.031 ( -10.110 -1.828 -4.724) 11.307 6.678 ( -3.272 -0.131 3.905) 5.096 6.810 ( -0.135 0.979 0.138) 0.998 ======================= Grid point 155 (48/129) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.509 0.432 0.989) 1.193 1.099 ( -0.071 -0.801 -0.951) 1.245 1.308 ( 9.447 6.542 2.517) 11.763 1.481 ( 5.907 1.360 4.363) 7.468 1.686 ( 0.354 2.819 1.047) 3.027 1.693 ( -1.855 5.486 -0.695) 5.832 1.747 ( 6.362 0.799 1.845) 6.672 1.805 ( 4.914 -1.611 1.788) 5.472 1.915 ( 3.725 -3.939 0.958) 5.505 1.984 ( 1.192 -2.057 -0.568) 2.445 2.067 ( 1.320 -2.042 2.040) 3.174 2.157 ( -1.536 -1.568 0.775) 2.328 2.524 ( 2.468 -0.738 -0.720) 2.675 2.601 ( 10.175 -1.538 2.907) 10.694 2.649 ( 4.587 -0.892 -2.589) 5.342 2.926 ( 12.745 0.213 -1.423) 12.826 3.082 ( 3.448 -0.560 0.169) 3.498 3.129 ( 0.020 -0.443 -4.577) 4.598 3.878 ( -3.233 -0.040 1.967) 3.785 4.103 ( -4.519 -0.250 -4.736) 6.551 4.197 ( 2.044 0.073 0.652) 2.146 4.204 ( 0.271 0.004 0.196) 0.334 4.341 ( 1.214 0.428 -0.164) 1.297 4.381 ( 5.703 0.088 -1.786) 5.976 4.466 ( 2.657 0.300 0.045) 2.674 4.525 ( 1.171 0.080 -1.876) 2.213 4.570 ( -0.598 0.206 4.482) 4.526 4.821 ( 1.079 -0.160 0.799) 1.352 4.889 ( -0.656 0.506 -3.859) 3.947 5.035 ( 4.141 0.435 -5.458) 6.865 5.318 ( -7.528 1.275 10.512) 12.992 5.478 ( -0.963 -0.001 4.241) 4.349 5.746 ( -2.303 2.470 -2.566) 4.242 5.836 ( -9.534 -1.113 -3.258) 10.137 6.624 ( -2.232 -0.246 3.710) 4.336 6.803 ( -0.027 1.000 -1.108) 1.492 ======================= Grid point 156 (49/129) ======================= q-point: ( 0.42 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -0.374 -0.436 0.831) 1.010 1.080 ( -1.638 -0.375 -0.721) 1.829 1.353 ( -0.865 5.381 3.406) 6.427 1.536 ( 0.968 1.125 3.111) 3.447 1.666 ( 1.483 3.141 -0.232) 3.481 1.672 ( 1.253 1.950 0.087) 2.320 1.867 ( 2.730 0.421 1.843) 3.321 1.908 ( 5.323 -0.644 5.032) 7.353 1.960 ( -0.255 -1.203 0.875) 1.509 2.010 ( -0.288 -1.442 3.280) 3.594 2.144 ( 4.040 -2.754 0.075) 4.890 2.158 ( 1.422 -2.366 0.401) 2.790 2.464 ( -3.548 0.000 -5.004) 6.134 2.722 ( 2.338 -0.424 -4.968) 5.507 2.862 ( 10.226 -0.125 2.593) 10.550 3.070 ( -1.781 0.051 -2.448) 3.028 3.114 ( 2.178 -0.646 -0.811) 2.412 3.146 ( 2.836 -0.407 -0.022) 2.865 3.820 ( -2.141 0.085 1.591) 2.669 4.017 ( -3.318 -0.231 -4.285) 5.425 4.204 ( 0.146 0.112 0.774) 0.796 4.275 ( 4.606 0.365 0.292) 4.630 4.366 ( 1.741 0.265 1.318) 2.199 4.487 ( 1.215 0.308 0.274) 1.283 4.505 ( 3.489 0.077 -0.528) 3.530 4.555 ( -1.144 0.072 3.963) 4.126 4.587 ( 5.526 0.138 -4.550) 7.160 4.822 ( -0.892 -0.058 1.523) 1.766 4.851 ( -3.222 0.244 -4.354) 5.422 5.124 ( 4.678 0.426 -8.149) 9.406 5.187 ( -4.689 0.249 13.274) 14.080 5.467 ( -0.051 -0.149 3.432) 3.435 5.630 ( -7.900 -0.403 0.279) 7.915 5.723 ( -1.976 1.149 -4.380) 4.941 6.591 ( -1.132 -0.171 3.784) 3.953 6.798 ( -0.069 0.618 -1.786) 1.891 ======================= Grid point 157 (50/129) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 0.000 -0.000 0.631) 0.631 1.060 ( 0.000 -0.000 -0.691) 0.691 1.314 ( 0.000 -0.000 4.173) 4.173 1.538 ( 0.000 -0.000 1.848) 1.848 1.669 ( 0.000 -0.000 0.954) 0.954 1.699 ( 0.000 -0.000 0.143) 0.143 1.889 ( 0.000 0.000 0.484) 0.484 1.939 ( 0.000 -0.000 -0.445) 0.445 1.983 ( 0.000 -0.000 8.197) 8.197 2.004 ( 0.000 -0.000 5.386) 5.386 2.190 ( 0.000 -0.000 0.104) 0.104 2.204 ( 0.000 -0.000 -0.260) 0.260 2.422 ( 0.000 -0.000 -7.091) 7.091 2.746 ( 0.000 -0.000 -6.146) 6.146 2.980 ( 0.000 -0.000 0.131) 0.131 3.027 ( 0.000 -0.000 0.487) 0.487 3.117 ( 0.000 -0.000 -0.600) 0.600 3.194 ( 0.000 -0.000 -0.166) 0.166 3.798 ( 0.000 -0.000 1.443) 1.443 3.984 ( 0.000 -0.000 -4.002) 4.002 4.205 ( 0.000 -0.000 1.036) 1.036 4.324 ( 0.000 -0.000 -2.550) 2.550 4.422 ( -0.000 -0.000 3.234) 3.234 4.451 ( 0.000 -0.000 3.748) 3.748 4.541 ( 0.000 -0.000 2.144) 2.144 4.551 ( 0.000 -0.000 -0.947) 0.947 4.689 ( -0.000 -0.000 -7.821) 7.821 4.779 ( 0.000 -0.000 -2.350) 2.350 4.808 ( 0.000 -0.000 1.891) 1.891 5.139 ( 0.000 -0.000 14.543) 14.543 5.183 ( 0.000 -0.000 -10.840) 10.840 5.479 ( 0.000 -0.000 1.341) 1.341 5.525 ( 0.000 -0.000 4.568) 4.568 5.701 ( 0.000 -0.000 -4.693) 4.693 6.580 ( 0.000 -0.000 3.827) 3.827 6.795 ( 0.000 -0.000 -1.998) 1.998 ======================= Grid point 165 (51/129) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 18.059 0.000 1.753) 18.143 0.793 ( 12.335 0.000 3.536) 12.831 1.046 ( 12.512 0.000 1.063) 12.557 1.131 ( -1.445 -0.000 -1.676) 2.213 1.378 ( 19.432 0.000 14.897) 24.485 1.492 ( 6.448 0.000 -1.294) 6.577 1.513 ( 3.126 0.000 -1.861) 3.638 1.796 ( 1.301 0.000 4.976) 5.143 1.830 ( 8.636 0.000 3.331) 9.256 1.888 ( 7.632 0.000 -4.583) 8.903 2.017 ( -3.336 -0.000 -0.078) 3.337 2.085 ( -1.853 -0.000 -0.927) 2.072 2.142 ( 1.550 0.000 -1.850) 2.413 2.359 ( 5.695 0.000 -2.957) 6.416 2.436 ( 8.141 0.000 2.803) 8.610 2.641 ( 4.393 0.000 -2.204) 4.914 2.739 ( 6.070 0.000 3.396) 6.956 3.117 ( -2.088 -0.000 -8.303) 8.562 3.896 ( 2.530 0.000 1.296) 2.843 4.020 ( 8.733 0.000 -1.354) 8.837 4.081 ( 5.948 0.000 -1.448) 6.121 4.236 ( 3.620 0.000 -5.084) 6.241 4.283 ( 0.648 0.000 0.577) 0.868 4.299 ( -3.718 -0.000 -0.245) 3.726 4.373 ( 2.081 0.000 1.406) 2.512 4.507 ( 1.313 0.000 -2.865) 3.152 4.702 ( -3.124 -0.000 0.923) 3.257 4.767 ( -0.549 -0.000 0.552) 0.778 4.879 ( 1.803 0.000 -6.413) 6.661 4.982 ( -3.270 -0.000 -4.652) 5.686 5.539 ( -1.978 -0.000 5.597) 5.936 5.687 ( -8.578 -0.000 7.853) 11.630 5.845 ( -0.523 -0.000 -1.323) 1.422 6.192 ( -7.786 -0.000 -5.889) 9.763 6.756 ( -4.674 -0.000 5.337) 7.094 6.823 ( -0.470 -0.000 2.047) 2.100 ======================= Grid point 166 (52/129) ======================= q-point: ( 0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 5.582 -0.135 1.033) 5.678 1.064 ( 7.882 1.117 -1.921) 8.190 1.144 ( 8.031 1.477 3.007) 8.701 1.300 ( 12.032 -0.413 5.430) 13.208 1.593 ( 5.547 1.058 -2.671) 6.246 1.635 ( 6.892 -1.907 -0.885) 7.205 1.671 ( 9.240 -1.464 6.099) 11.168 1.798 ( -0.552 1.358 3.475) 3.771 1.904 ( -4.221 2.937 0.195) 5.146 1.963 ( 1.047 2.410 -4.188) 4.944 2.025 ( 1.189 -3.098 1.118) 3.502 2.164 ( 0.818 -0.031 1.489) 1.699 2.174 ( 14.973 -2.304 3.745) 15.605 2.518 ( 7.523 -0.415 -1.567) 7.695 2.623 ( -2.654 0.079 0.018) 2.655 2.647 ( 13.718 0.068 0.897) 13.747 2.943 ( 9.771 0.007 -0.317) 9.776 3.108 ( 0.719 -0.415 -6.873) 6.922 3.921 ( -0.551 -0.094 1.978) 2.056 4.143 ( 1.418 -0.042 0.342) 1.460 4.152 ( 2.646 -0.220 -4.912) 5.584 4.227 ( -2.627 0.003 -0.303) 2.644 4.294 ( 3.058 0.031 -2.442) 3.914 4.326 ( 1.893 0.126 -1.322) 2.312 4.403 ( 2.526 0.079 2.783) 3.759 4.519 ( -0.032 -0.004 -1.758) 1.758 4.617 ( -4.079 0.048 2.625) 4.851 4.784 ( 1.927 -0.053 0.552) 2.005 4.897 ( 0.325 0.193 -4.514) 4.530 4.974 ( 2.088 0.166 -4.326) 4.807 5.499 ( -3.594 1.376 5.970) 7.103 5.512 ( -6.872 -0.382 7.577) 10.236 5.821 ( -1.405 1.557 -2.902) 3.580 6.015 ( -9.837 -0.916 -4.214) 10.741 6.677 ( -3.338 -0.024 4.271) 5.420 6.817 ( -0.146 0.346 0.136) 0.400 ======================= Grid point 167 (53/129) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.295 0.345 0.836) 0.951 1.091 ( -0.291 -0.569 -0.837) 1.054 1.368 ( 9.753 4.510 2.014) 10.932 1.491 ( 6.212 0.544 5.919) 8.598 1.705 ( 3.001 0.917 0.911) 3.267 1.749 ( -2.042 4.215 -0.082) 4.684 1.760 ( 1.933 1.817 -0.017) 2.653 1.788 ( 6.348 -1.313 0.593) 6.509 1.873 ( 3.995 -3.801 2.242) 5.953 1.971 ( 0.666 -0.445 -1.553) 1.747 2.045 ( 1.052 -1.948 1.755) 2.825 2.141 ( -2.088 -1.164 1.946) 3.082 2.516 ( 5.973 -0.623 0.350) 6.016 2.589 ( 7.796 -0.696 2.294) 8.156 2.641 ( 4.828 -0.526 -2.478) 5.452 2.928 ( 12.721 0.124 -1.471) 12.807 3.077 ( 3.236 -0.328 0.164) 3.257 3.125 ( 0.303 -0.246 -4.641) 4.658 3.878 ( -3.135 -0.025 1.960) 3.697 4.101 ( -4.535 -0.140 -4.682) 6.520 4.198 ( 2.516 0.065 0.758) 2.629 4.204 ( 0.062 -0.020 0.143) 0.157 4.345 ( 1.179 0.269 -0.256) 1.236 4.382 ( 5.809 0.038 -1.867) 6.102 4.469 ( 2.646 0.184 0.154) 2.656 4.525 ( 1.193 0.036 -1.940) 2.277 4.572 ( -0.660 0.119 4.496) 4.546 4.820 ( 1.088 -0.108 0.760) 1.331 4.893 ( -0.737 0.273 -3.497) 3.584 5.039 ( 4.113 0.244 -5.433) 6.818 5.329 ( -8.206 0.708 10.289) 13.179 5.477 ( -0.990 -0.010 4.287) 4.400 5.771 ( -2.985 2.248 -3.470) 5.099 5.823 ( -9.138 -1.420 -2.994) 9.720 6.622 ( -2.213 -0.108 4.082) 4.644 6.812 ( -0.181 0.554 -1.130) 1.272 ======================= Grid point 168 (54/129) ======================= q-point: ( 0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -0.631 -0.288 0.832) 1.083 1.077 ( -1.210 -0.278 -0.722) 1.436 1.407 ( -2.895 4.544 2.847) 6.094 1.546 ( 0.545 0.803 4.003) 4.119 1.688 ( -0.864 1.553 0.254) 1.795 1.700 ( 1.331 2.552 -0.197) 2.885 1.871 ( 2.904 0.398 1.131) 3.142 1.901 ( 4.785 -0.663 3.157) 5.771 1.944 ( 1.004 -1.828 1.949) 2.855 1.996 ( 0.681 -1.132 3.431) 3.676 2.119 ( 4.656 -1.814 0.614) 5.035 2.135 ( 2.149 -1.772 0.535) 2.837 2.464 ( -3.583 0.007 -4.799) 5.989 2.718 ( 2.565 -0.318 -4.793) 5.445 2.861 ( 11.114 -0.167 2.519) 11.397 3.073 ( -1.863 0.531 -1.394) 2.387 3.106 ( 1.396 -0.927 -1.917) 2.546 3.142 ( 3.611 -0.284 0.008) 3.623 3.821 ( -2.142 0.060 1.612) 2.681 4.015 ( -3.260 -0.178 -4.133) 5.267 4.205 ( 0.121 0.083 0.779) 0.792 4.278 ( 4.685 0.266 0.376) 4.707 4.368 ( 1.550 0.209 1.163) 1.949 4.491 ( 0.850 0.396 0.403) 1.020 4.505 ( 3.678 -0.116 -0.622) 3.732 4.556 ( -1.182 0.051 3.842) 4.020 4.588 ( 5.543 0.091 -4.464) 7.118 4.821 ( -0.822 -0.102 1.418) 1.642 4.854 ( -3.405 0.226 -4.144) 5.368 5.128 ( 4.620 0.308 -8.188) 9.406 5.189 ( -4.977 0.178 13.252) 14.157 5.466 ( -0.110 -0.108 3.409) 3.412 5.627 ( -8.022 -0.225 0.499) 8.041 5.733 ( -2.205 0.784 -4.801) 5.341 6.590 ( -1.066 -0.108 4.023) 4.163 6.804 ( -0.336 0.440 -1.803) 1.886 ======================= Grid point 169 (55/129) ======================= q-point: ( 0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.833 0.320 0.592) 1.071 1.058 ( -0.268 -0.285 -0.630) 0.742 1.317 ( -2.801 0.582 4.125) 5.020 1.538 ( -0.646 0.007 1.864) 1.973 1.665 ( -1.489 -0.682 1.049) 1.945 1.701 ( -1.580 0.306 -0.043) 1.610 1.887 ( -0.513 -0.256 0.532) 0.782 1.939 ( 1.254 0.005 -0.487) 1.345 1.983 ( 0.096 -0.003 8.378) 8.378 2.002 ( 0.306 -0.438 5.268) 5.295 2.191 ( 1.581 0.282 0.159) 1.614 2.206 ( 1.885 0.305 -0.265) 1.928 2.422 ( 0.025 0.006 -7.093) 7.093 2.746 ( 0.193 -0.015 -6.151) 6.154 2.976 ( -1.606 -0.645 0.299) 1.757 3.036 ( 1.281 1.474 0.103) 1.955 3.112 ( 0.627 -0.929 -0.421) 1.197 3.194 ( 0.069 0.054 -0.143) 0.168 3.798 ( -0.068 -0.004 1.443) 1.444 3.984 ( 0.149 -0.009 -4.002) 4.005 4.205 ( -0.077 -0.001 1.036) 1.039 4.324 ( -0.375 0.017 -2.551) 2.578 4.422 ( -0.223 0.008 3.234) 3.241 4.451 ( 0.113 0.023 3.748) 3.750 4.541 ( -0.076 0.001 2.136) 2.137 4.551 ( -0.094 -0.033 -0.945) 0.950 4.689 ( -0.202 0.008 -7.817) 7.820 4.778 ( -0.202 -0.050 -2.326) 2.335 4.809 ( 0.198 0.042 1.864) 1.875 5.139 ( -0.031 -0.005 14.542) 14.542 5.183 ( -0.368 -0.011 -10.835) 10.842 5.479 ( 0.283 0.012 1.345) 1.374 5.525 ( 0.249 0.012 4.559) 4.566 5.701 ( -0.701 0.001 -4.692) 4.744 6.580 ( 0.095 0.001 3.827) 3.829 6.795 ( -0.333 -0.001 -1.998) 2.026 ======================= Grid point 170 (56/129) ======================= q-point: (-0.50 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -0.035 0.481 0.834) 0.964 1.084 ( 2.245 0.400 -0.677) 2.378 1.298 ( -1.394 -4.763 3.965) 6.353 1.524 ( -1.495 -1.130 2.159) 2.859 1.631 ( -2.801 -3.286 -0.129) 4.320 1.654 ( -1.881 -1.445 -0.243) 2.385 1.863 ( -2.595 -0.405 2.759) 3.809 1.914 ( -5.507 0.427 6.143) 8.261 1.970 ( 0.903 0.750 0.675) 1.354 2.024 ( 1.523 1.056 2.627) 3.215 2.174 ( -3.428 2.820 -0.104) 4.440 2.183 ( -1.005 2.335 0.219) 2.551 2.464 ( 3.517 0.010 -5.239) 6.310 2.727 ( -2.075 0.410 -5.200) 5.614 2.863 ( -9.117 0.049 2.653) 9.495 3.071 ( 1.061 0.206 -3.529) 3.691 3.121 ( -2.050 0.594 0.198) 2.144 3.149 ( -2.394 0.253 0.097) 2.409 3.819 ( 2.139 -0.088 1.567) 2.653 4.019 ( 3.387 0.216 -4.458) 5.603 4.203 ( -0.171 -0.112 0.768) 0.795 4.271 ( -4.536 -0.366 0.207) 4.556 4.363 ( -1.946 -0.240 1.467) 2.449 4.484 ( -1.250 -0.134 0.239) 1.280 4.504 ( -3.665 -0.259 -0.544) 3.715 4.555 ( 1.112 -0.070 4.125) 4.272 4.585 ( -5.515 -0.152 -4.651) 7.216 4.822 ( 1.032 -0.083 1.388) 1.731 4.849 ( 2.926 -0.123 -4.335) 5.231 5.120 ( -4.747 -0.431 -8.099) 9.398 5.184 ( 4.352 -0.255 13.295) 13.991 5.469 ( -0.017 0.150 3.458) 3.461 5.636 ( 7.863 0.586 -0.006) 7.884 5.710 ( 1.616 -1.310 -3.868) 4.392 6.593 ( 1.235 0.200 3.507) 3.724 6.791 ( -0.260 -0.640 -1.762) 1.893 ======================= Grid point 171 (57/129) ======================= q-point: (-0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -0.796 -0.354 1.137) 1.433 1.107 ( -0.314 0.733 -1.065) 1.330 1.237 ( -8.741 -6.600 3.271) 11.431 1.464 ( -5.684 -1.801 2.462) 6.450 1.632 ( 0.844 -5.364 -0.096) 5.431 1.657 ( 0.115 -3.126 -0.265) 3.139 1.742 ( -7.886 -0.288 4.328) 9.001 1.821 ( -3.660 1.369 2.961) 4.903 1.953 ( -2.636 3.078 -0.833) 4.137 2.012 ( -1.406 3.035 0.977) 3.485 2.088 ( -2.492 2.050 1.773) 3.682 2.171 ( 0.547 0.943 0.013) 1.090 2.531 ( 0.656 0.478 -1.727) 1.908 2.621 ( -11.812 2.144 3.308) 12.453 2.659 ( -4.303 0.997 -2.758) 5.207 2.923 ( -12.775 -0.245 -1.344) 12.848 3.089 ( -3.791 0.634 0.168) 3.848 3.134 ( 0.394 0.540 -4.486) 4.536 3.878 ( 3.365 0.041 1.976) 3.902 4.106 ( 4.515 0.307 -4.806) 6.601 4.197 ( -1.600 -0.030 0.539) 1.689 4.204 ( -0.324 -0.056 0.213) 0.391 4.337 ( -1.219 -0.442 -0.036) 1.298 4.380 ( -5.634 -0.128 -1.696) 5.885 4.463 ( -2.631 -0.321 -0.055) 2.651 4.524 ( -1.131 -0.114 -1.861) 2.181 4.568 ( 0.518 -0.238 4.510) 4.546 4.823 ( -1.061 0.105 0.807) 1.337 4.883 ( 0.484 -0.620 -4.322) 4.393 5.030 ( -4.195 -0.525 -5.490) 6.929 5.303 ( 6.534 -1.544 10.871) 12.777 5.477 ( 0.883 -0.023 4.149) 4.242 5.721 ( 1.416 -2.182 -1.706) 3.111 5.846 ( 10.143 0.742 -3.266) 10.682 6.627 ( 2.301 0.393 3.196) 3.958 6.791 ( -0.213 -1.236 -1.058) 1.641 ======================= Grid point 172 (58/129) ======================= q-point: (-0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -4.879 -0.913 0.324) 4.974 1.008 ( -12.259 -2.131 0.865) 12.473 1.096 ( -3.264 -2.224 1.876) 4.372 1.305 ( -10.447 -0.248 4.852) 11.521 1.574 ( -6.441 -0.436 1.086) 6.547 1.664 ( -3.467 -1.988 0.463) 4.024 1.690 ( -0.320 -6.297 -0.358) 6.315 1.747 ( -3.256 3.336 2.484) 5.282 1.852 ( -4.838 1.854 2.095) 5.588 1.940 ( -4.271 0.035 -1.660) 4.583 2.063 ( -0.623 0.420 1.905) 2.048 2.164 ( -1.485 -0.402 0.142) 1.545 2.276 ( -12.369 5.687 2.646) 13.869 2.539 ( -7.705 1.336 -1.723) 8.008 2.619 ( 2.583 -0.301 -0.039) 2.601 2.643 ( -13.387 -0.285 0.789) 13.413 2.944 ( -10.051 0.080 -0.153) 10.052 3.130 ( -0.064 1.402 -6.620) 6.768 3.926 ( 0.746 0.337 2.126) 2.278 4.146 ( -0.977 0.160 0.257) 1.022 4.166 ( -2.484 1.038 -4.864) 5.559 4.227 ( 2.604 -0.022 -0.394) 2.634 4.293 ( -2.933 -0.082 -2.111) 3.615 4.319 ( -2.144 -0.502 -1.267) 2.540 4.399 ( -2.385 -0.195 2.792) 3.678 4.519 ( 0.137 -0.005 -1.611) 1.617 4.615 ( 4.330 -0.064 2.437) 4.969 4.786 ( -1.993 0.119 0.538) 2.068 4.885 ( -0.605 -1.014 -5.433) 5.560 4.964 ( -2.373 -0.750 -4.269) 4.942 5.438 ( 4.565 -4.242 8.640) 10.653 5.510 ( 2.741 -0.485 5.696) 6.340 5.759 ( 1.173 -2.959 0.396) 3.208 6.050 ( 10.518 1.729 -5.131) 11.830 6.680 ( 3.190 0.358 3.277) 4.587 6.797 ( 0.113 -1.448 0.170) 1.463 ======================= Grid point 173 (59/129) ======================= q-point: (-0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -15.312 -0.302 2.698) 15.551 0.825 ( -10.552 1.793 2.596) 11.014 1.051 ( -8.190 -0.796 1.849) 8.434 1.117 ( -2.152 -0.547 1.825) 2.875 1.455 ( -17.887 5.511 14.094) 23.430 1.469 ( -6.542 -0.187 -2.043) 6.857 1.569 ( -5.310 3.246 -1.659) 6.441 1.708 ( -3.019 -7.752 -0.080) 8.320 1.808 ( -0.164 -0.016 4.456) 4.459 1.850 ( -7.336 -2.765 -4.735) 9.158 2.031 ( -1.903 -1.186 1.578) 2.743 2.097 ( -2.197 1.580 -0.886) 2.848 2.160 ( -0.121 1.596 -0.860) 1.817 2.359 ( -6.439 -0.036 -3.264) 7.219 2.446 ( -7.585 0.830 2.094) 7.912 2.637 ( -4.622 -0.380 -2.170) 5.120 2.739 ( -5.774 0.058 4.054) 7.056 3.140 ( 2.302 1.881 -7.810) 8.357 3.900 ( -2.574 0.395 1.430) 2.971 4.027 ( -9.007 0.539 -0.910) 9.068 4.086 ( -6.060 0.523 -1.883) 6.368 4.233 ( -3.914 -0.269 -4.840) 6.231 4.279 ( -0.376 -0.320 0.377) 0.621 4.298 ( 3.553 -0.097 -0.383) 3.575 4.373 ( -1.837 0.059 1.625) 2.453 4.511 ( -1.060 0.287 -2.613) 2.835 4.698 ( 2.489 -0.379 0.610) 2.591 4.766 ( 0.258 -0.100 0.571) 0.635 4.868 ( -2.044 -1.137 -6.352) 6.769 4.970 ( 3.028 -1.108 -4.424) 5.474 5.505 ( 0.679 -4.605 6.423) 7.932 5.604 ( 3.768 -6.052 8.571) 11.148 5.803 ( 2.095 -1.389 3.290) 4.141 6.236 ( 8.900 2.794 -7.721) 12.109 6.752 ( 4.070 -0.275 4.541) 6.104 6.813 ( 0.850 -0.908 1.803) 2.191 ======================= Grid point 174 (60/129) ======================= q-point: (-0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -10.643 6.168 5.625) 13.526 0.577 ( -11.088 4.995 9.059) 15.165 0.825 ( -13.355 4.357 -0.077) 14.048 1.025 ( -15.285 3.072 18.607) 24.275 1.166 ( 3.524 -1.379 -3.206) 4.960 1.370 ( -5.065 -0.556 -1.776) 5.396 1.481 ( -2.134 1.600 1.733) 3.181 1.659 ( -10.304 -1.893 -0.229) 10.479 1.662 ( -4.227 -3.220 -0.618) 5.350 1.816 ( 1.258 0.889 5.153) 5.378 2.052 ( 1.661 -5.834 -0.496) 6.086 2.088 ( 1.890 0.597 -1.893) 2.741 2.179 ( 2.012 1.130 -3.132) 3.890 2.284 ( -4.879 0.517 -1.712) 5.196 2.323 ( -1.743 0.754 -1.771) 2.596 2.441 ( -10.085 -0.353 -2.261) 10.342 2.764 ( 5.120 0.063 7.087) 8.743 3.203 ( 4.417 1.670 -8.359) 9.601 3.838 ( -8.047 0.122 0.265) 8.052 3.843 ( -2.647 0.194 0.596) 2.721 3.954 ( -6.014 -0.022 -1.332) 6.160 4.093 ( -12.711 -1.423 -11.298) 17.066 4.285 ( -0.053 -0.044 0.144) 0.159 4.316 ( -2.447 0.131 1.087) 2.680 4.335 ( -1.298 0.066 -1.338) 1.865 4.484 ( -0.861 0.393 -5.094) 5.181 4.717 ( -1.015 -2.638 1.306) 3.114 4.785 ( 0.260 -1.556 1.481) 2.164 4.810 ( -2.791 0.467 -2.335) 3.669 5.062 ( 4.069 -1.277 -4.802) 6.422 5.537 ( -0.238 -6.621 7.731) 10.182 5.700 ( 1.114 -11.763 9.468) 15.141 5.858 ( 3.069 0.524 6.228) 6.963 6.364 ( 5.408 3.998 -11.056) 12.941 6.835 ( 1.032 -0.130 3.749) 3.891 6.858 ( 6.303 -2.017 6.485) 9.265 ======================= Grid point 175 (61/129) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 0.000 17.854 4.188) 18.338 0.403 ( 0.000 7.241 17.467) 18.908 0.576 ( 0.000 1.973 15.721) 15.844 0.889 ( 0.000 0.667 10.428) 10.449 1.235 ( 0.000 1.218 -10.292) 10.364 1.305 ( -0.000 -2.922 -0.927) 3.065 1.456 ( 0.000 0.648 3.645) 3.702 1.538 ( -0.000 -0.641 3.784) 3.838 1.627 ( -0.000 -1.849 -0.306) 1.874 1.842 ( -0.000 -0.483 5.247) 5.269 2.110 ( -0.000 -5.485 -3.048) 6.275 2.164 ( -0.000 -0.648 1.556) 1.686 2.164 ( 0.000 2.555 -4.893) 5.520 2.217 ( 0.000 2.068 -2.767) 3.455 2.308 ( 0.000 0.158 -2.037) 2.043 2.316 ( 0.000 0.752 -3.537) 3.616 2.914 ( -0.000 -2.256 2.182) 3.138 3.254 ( 0.000 1.411 -8.729) 8.842 3.746 ( 0.000 0.069 0.186) 0.199 3.756 ( 0.000 0.083 -0.073) 0.110 3.822 ( 0.000 0.058 0.952) 0.953 3.888 ( 0.000 0.048 -0.715) 0.717 4.265 ( 0.000 0.085 0.348) 0.358 4.297 ( 0.000 0.070 -0.448) 0.453 4.304 ( 0.000 0.182 0.977) 0.994 4.479 ( 0.000 0.072 -5.026) 5.026 4.710 ( -0.000 -3.999 5.793) 7.039 4.764 ( 0.000 1.241 3.035) 3.278 4.809 ( -0.000 -0.380 0.373) 0.532 5.113 ( -0.000 -1.470 -5.319) 5.519 5.570 ( -0.000 -5.523 7.716) 9.489 5.779 ( -0.000 -13.979 6.763) 15.529 5.906 ( -0.000 -3.785 8.066) 8.910 6.397 ( 0.000 5.241 -12.536) 13.588 6.845 ( 0.000 0.241 4.588) 4.594 6.995 ( -0.000 -7.473 2.973) 8.043 ======================= Grid point 178 (62/129) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.210 0.000 0.768) 0.796 1.088 ( -0.356 -0.000 -0.786) 0.863 1.394 ( 9.790 0.000 1.823) 9.959 1.493 ( 6.399 0.000 6.529) 9.142 1.709 ( 3.980 0.000 0.367) 3.997 1.765 ( 2.362 0.000 0.446) 2.404 1.777 ( 3.364 0.000 -0.054) 3.365 1.788 ( -2.080 -0.000 -0.413) 2.121 1.846 ( 5.493 0.000 2.615) 6.083 1.971 ( -0.051 -0.000 -1.933) 1.934 2.032 ( 1.431 0.000 1.674) 2.202 2.135 ( -2.251 -0.000 2.554) 3.404 2.513 ( 7.446 0.000 0.795) 7.488 2.586 ( 6.743 0.000 2.021) 7.040 2.638 ( 4.922 0.000 -2.441) 5.494 2.928 ( 12.712 0.000 -1.488) 12.799 3.075 ( 3.168 0.000 0.161) 3.172 3.124 ( 0.401 0.000 -4.665) 4.682 3.877 ( -3.099 -0.000 1.956) 3.665 4.100 ( -4.543 -0.000 -4.662) 6.509 4.199 ( 2.771 0.000 0.814) 2.888 4.204 ( -0.101 -0.000 0.103) 0.144 4.347 ( 1.156 0.000 -0.289) 1.191 4.382 ( 5.864 0.000 -1.900) 6.164 4.470 ( 2.636 0.000 0.202) 2.644 4.526 ( 1.199 0.000 -1.974) 2.309 4.573 ( -0.685 -0.000 4.508) 4.560 4.819 ( 1.090 0.000 0.742) 1.319 4.895 ( -0.759 -0.000 -3.364) 3.448 5.040 ( 4.104 0.000 -5.423) 6.801 5.333 ( -8.444 -0.000 10.217) 13.254 5.477 ( -0.993 -0.000 4.299) 4.412 5.787 ( -2.245 -0.000 -4.454) 4.987 5.811 ( -9.999 -0.000 -2.247) 10.248 6.621 ( -2.211 -0.000 4.217) 4.762 6.815 ( -0.234 -0.000 -1.137) 1.160 ======================= Grid point 179 (63/129) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -0.740 -0.099 0.835) 1.120 1.075 ( -1.003 -0.103 -0.712) 1.234 1.442 ( -4.199 1.856 2.484) 5.220 1.552 ( 0.344 0.280 4.544) 4.566 1.700 ( -1.670 0.647 0.419) 1.840 1.719 ( 0.412 0.976 -0.219) 1.082 1.875 ( 3.464 0.244 1.147) 3.657 1.896 ( 3.288 -0.213 0.266) 3.306 1.926 ( 2.895 -1.204 4.075) 5.142 1.988 ( 1.094 -0.360 3.172) 3.375 2.106 ( 5.215 -0.607 1.186) 5.383 2.122 ( 2.617 -0.652 0.569) 2.756 2.464 ( -3.606 0.004 -4.680) 5.908 2.716 ( 2.695 -0.118 -4.703) 5.422 2.859 ( 11.577 -0.081 2.467) 11.837 3.080 ( -1.574 0.760 0.356) 1.784 3.096 ( 0.544 -0.908 -3.698) 3.847 3.140 ( 4.160 -0.086 0.033) 4.161 3.821 ( -2.143 0.021 1.624) 2.689 4.013 ( -3.227 -0.067 -4.044) 5.174 4.206 ( 0.106 0.030 0.781) 0.789 4.280 ( 4.738 0.097 0.429) 4.758 4.370 ( 1.435 0.080 1.063) 1.788 4.494 ( -0.048 0.251 0.724) 0.768 4.503 ( 4.477 -0.148 -0.930) 4.575 4.556 ( -1.210 0.018 3.784) 3.972 4.589 ( 5.555 0.031 -4.416) 7.096 4.820 ( -0.798 -0.046 1.316) 1.540 4.856 ( -3.484 0.089 -3.980) 5.290 5.130 ( 4.587 0.112 -8.209) 9.404 5.191 ( -5.142 0.064 13.238) 14.202 5.465 ( -0.144 -0.039 3.396) 3.399 5.625 ( -8.108 -0.071 0.619) 8.132 5.739 ( -2.324 0.279 -5.038) 5.555 6.589 ( -1.037 -0.036 4.160) 4.288 6.807 ( -0.484 0.159 -1.811) 1.881 ======================= Grid point 180 (64/129) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 1.686 0.402 0.502) 1.805 1.055 ( -0.699 -0.369 -0.497) 0.933 1.324 ( -4.920 0.606 4.030) 6.389 1.538 ( -1.127 0.007 1.896) 2.206 1.657 ( -2.738 -0.637 1.172) 3.046 1.704 ( -2.512 0.242 -0.351) 2.548 1.885 ( -0.782 -0.259 0.639) 1.042 1.939 ( 2.166 0.000 -0.587) 2.244 1.983 ( 0.164 -0.016 8.917) 8.919 1.997 ( 0.562 -0.397 4.868) 4.917 2.194 ( 2.662 0.283 0.266) 2.690 2.209 ( 3.214 0.282 -0.278) 3.239 2.422 ( 0.043 0.006 -7.097) 7.097 2.746 ( 0.335 -0.015 -6.163) 6.172 2.970 ( -2.064 -0.467 0.479) 2.169 3.055 ( 1.151 1.957 -0.873) 2.432 3.098 ( 1.450 -1.584 0.304) 2.169 3.195 ( 0.106 0.048 -0.100) 0.153 3.798 ( -0.118 -0.004 1.441) 1.446 3.984 ( 0.257 -0.009 -4.002) 4.010 4.205 ( -0.133 -0.001 1.035) 1.043 4.324 ( -0.649 0.017 -2.553) 2.634 4.423 ( -0.383 0.008 3.232) 3.255 4.452 ( 0.192 0.023 3.749) 3.754 4.541 ( -0.142 0.003 2.123) 2.128 4.551 ( -0.151 -0.034 -0.943) 0.955 4.690 ( -0.349 0.008 -7.809) 7.817 4.778 ( -0.342 -0.049 -2.282) 2.308 4.809 ( 0.334 0.040 1.816) 1.847 5.139 ( -0.053 -0.005 14.541) 14.542 5.183 ( -0.637 -0.011 -10.826) 10.845 5.479 ( 0.488 0.012 1.353) 1.439 5.525 ( 0.435 0.013 4.541) 4.562 5.701 ( -1.215 0.001 -4.688) 4.843 6.580 ( 0.164 0.001 3.827) 3.831 6.795 ( -0.576 -0.001 -1.998) 2.080 ======================= Grid point 181 (65/129) ======================= q-point: (-0.58 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -0.485 0.372 0.837) 1.037 1.088 ( 2.878 0.356 -0.577) 2.957 1.255 ( -3.406 -3.234 4.374) 6.418 1.513 ( -1.954 -0.825 1.398) 2.541 1.600 ( -3.248 -2.387 -0.001) 4.031 1.642 ( -2.748 -0.932 -0.589) 2.961 1.859 ( -2.446 -0.292 3.566) 4.334 1.917 ( -5.535 0.223 6.671) 8.671 1.977 ( 1.216 0.444 0.794) 1.519 2.032 ( 2.588 0.575 2.016) 3.331 2.200 ( -2.197 1.882 0.063) 2.893 2.205 ( -1.696 1.822 -0.054) 2.489 2.464 ( 3.500 0.013 -5.443) 6.472 2.730 ( -1.850 0.291 -5.427) 5.741 2.863 ( -8.130 0.015 2.680) 8.560 3.073 ( 0.030 0.171 -4.459) 4.463 3.128 ( -1.077 0.695 0.898) 1.565 3.150 ( -2.454 -0.084 0.380) 2.485 3.818 ( 2.138 -0.067 1.545) 2.639 4.021 ( 3.448 0.147 -4.605) 5.755 4.202 ( -0.191 -0.082 0.762) 0.790 4.268 ( -4.495 -0.268 0.143) 4.505 4.361 ( -2.110 -0.158 1.570) 2.634 4.484 ( -0.962 0.032 0.267) 0.999 4.500 ( -4.144 -0.329 -0.613) 4.202 4.554 ( 1.094 -0.048 4.273) 4.411 4.584 ( -5.513 -0.120 -4.742) 7.273 4.821 ( 1.174 -0.166 0.960) 1.526 4.849 ( 2.625 0.001 -4.004) 4.788 5.116 ( -4.808 -0.318 -8.052) 9.383 5.182 ( 4.059 -0.190 13.307) 13.913 5.470 ( -0.075 0.111 3.480) 3.482 5.642 ( 8.155 0.682 -0.285) 8.188 5.696 ( 0.987 -1.197 -3.396) 3.734 6.595 ( 1.352 0.167 3.265) 3.538 6.785 ( -0.567 -0.485 -1.737) 1.891 ======================= Grid point 182 (66/129) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -1.155 -0.260 1.221) 1.701 1.114 ( -0.787 0.509 -1.148) 1.482 1.173 ( -7.739 -5.226 4.093) 10.196 1.444 ( -5.641 -1.774 0.832) 5.972 1.583 ( -0.364 -3.859 0.214) 3.882 1.626 ( -0.113 -2.604 -0.898) 2.757 1.740 ( -8.301 -0.108 5.984) 10.234 1.833 ( -2.729 0.956 3.897) 4.853 1.978 ( -1.211 1.672 -1.331) 2.457 2.047 ( -1.011 3.412 1.485) 3.856 2.109 ( -3.917 1.878 1.100) 4.481 2.175 ( -0.838 -0.146 -0.188) 0.871 2.534 ( 2.255 0.237 -2.326) 3.249 2.644 ( -11.959 2.050 3.298) 12.574 2.669 ( -4.099 0.821 -2.923) 5.101 2.921 ( -12.802 -0.211 -1.250) 12.865 3.095 ( -4.179 0.536 0.159) 4.216 3.140 ( 0.822 0.492 -4.392) 4.496 3.879 ( 3.494 0.031 1.983) 4.018 4.109 ( 4.530 0.287 -4.871) 6.658 4.197 ( -1.243 0.040 0.425) 1.314 4.203 ( -0.244 -0.110 0.194) 0.331 4.332 ( -1.200 -0.343 0.095) 1.252 4.379 ( -5.638 -0.128 -1.628) 5.870 4.460 ( -2.547 -0.256 -0.099) 2.562 4.523 ( -1.081 -0.115 -1.934) 2.218 4.565 ( 0.445 -0.205 4.601) 4.627 4.823 ( -1.046 -0.044 0.679) 1.248 4.877 ( 0.230 -0.523 -4.653) 4.687 5.024 ( -4.269 -0.475 -5.517) 6.992 5.287 ( 5.463 -1.393 11.285) 12.615 5.477 ( 0.764 -0.040 4.027) 4.099 5.701 ( 0.771 -1.572 -0.949) 1.992 5.852 ( 10.640 0.439 -3.198) 11.119 6.632 ( 2.437 0.460 2.670) 3.645 6.778 ( -0.507 -1.168 -0.982) 1.608 ======================= Grid point 183 (67/129) ======================= q-point: (-0.42 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -8.303 -2.416 0.455) 8.659 1.005 ( -7.024 0.793 1.413) 7.209 1.074 ( -3.216 -1.883 1.763) 4.122 1.300 ( -9.538 -0.748 4.233) 10.462 1.570 ( -6.300 -0.533 0.814) 6.375 1.600 ( -1.703 -7.123 2.690) 7.802 1.648 ( -1.672 -3.192 -0.647) 3.661 1.782 ( -1.469 3.059 2.649) 4.305 1.892 ( -6.188 4.827 -0.009) 7.848 1.945 ( -6.405 0.885 -0.627) 6.496 2.064 ( -1.436 -0.149 2.331) 2.741 2.156 ( -1.833 -1.213 0.018) 2.198 2.332 ( -12.007 4.733 2.233) 13.098 2.553 ( -7.910 1.238 -1.782) 8.202 2.616 ( 2.466 -0.324 -0.106) 2.489 2.639 ( -13.099 -0.317 0.669) 13.120 2.945 ( -10.210 0.139 0.009) 10.211 3.145 ( 0.355 1.315 -6.486) 6.628 3.929 ( 0.886 0.327 2.227) 2.419 4.147 ( -0.808 0.171 0.286) 0.874 4.178 ( -2.130 1.224 -5.006) 5.576 4.227 ( 2.573 -0.032 -0.465) 2.615 4.292 ( -2.866 -0.040 -1.893) 3.435 4.314 ( -2.276 -0.540 -1.217) 2.636 4.397 ( -2.234 -0.083 2.797) 3.581 4.519 ( 0.183 -0.019 -1.498) 1.510 4.615 ( 4.666 0.061 2.340) 5.221 4.787 ( -2.118 -0.076 0.401) 2.157 4.873 ( -0.972 -1.250 -6.024) 6.229 4.955 ( -2.665 -0.866 -4.278) 5.114 5.390 ( 2.616 -4.641 10.233) 11.537 5.504 ( 1.950 -0.528 5.063) 5.451 5.733 ( 1.763 -1.901 1.969) 3.255 6.066 ( 10.900 1.288 -5.306) 12.192 6.686 ( 3.158 0.650 2.537) 4.102 6.780 ( 0.059 -1.672 0.274) 1.695 ======================= Grid point 184 (68/129) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -11.316 3.064 2.484) 11.983 0.842 ( -9.684 1.464 1.696) 9.939 1.037 ( -4.554 -1.636 2.508) 5.450 1.115 ( -5.350 0.018 5.342) 7.561 1.461 ( -4.885 -0.490 0.113) 4.911 1.503 ( -16.675 0.731 10.674) 19.812 1.597 ( -5.613 0.878 -0.387) 5.695 1.646 ( -2.899 -0.991 -1.456) 3.392 1.801 ( -1.786 -1.387 -3.403) 4.086 1.831 ( -5.697 -0.518 0.962) 5.801 2.011 ( -4.153 -2.525 1.940) 5.234 2.110 ( -2.528 0.704 0.319) 2.643 2.179 ( -1.511 1.867 -0.755) 2.518 2.358 ( -7.016 -0.049 -3.400) 7.797 2.455 ( -7.225 0.843 1.429) 7.413 2.632 ( -4.823 -0.516 -2.169) 5.313 2.740 ( -5.532 0.187 4.736) 7.284 3.161 ( 2.507 2.031 -7.377) 8.052 3.905 ( -2.612 0.449 1.558) 3.075 4.033 ( -9.274 0.573 -0.414) 9.301 4.094 ( -6.160 0.932 -2.469) 6.702 4.229 ( -4.331 -0.412 -4.646) 6.365 4.275 ( -0.147 -0.340 0.219) 0.430 4.297 ( 3.394 -0.167 -0.566) 3.445 4.375 ( -1.601 0.215 1.813) 2.429 4.514 ( -0.732 0.299 -2.190) 2.329 4.693 ( 1.204 -0.493 0.201) 1.317 4.764 ( -0.024 -0.384 0.570) 0.687 4.853 ( -1.929 -1.513 -5.991) 6.473 4.956 ( 2.916 -1.439 -4.434) 5.498 5.430 ( -1.849 -8.736 10.783) 14.001 5.560 ( 2.539 -2.432 6.919) 7.761 5.795 ( 3.559 -0.333 4.766) 5.957 6.262 ( 9.256 2.181 -8.360) 12.662 6.749 ( 3.457 -0.120 3.994) 5.284 6.802 ( 1.423 -1.028 1.528) 2.327 ======================= Grid point 185 (69/129) ======================= q-point: (-0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -4.592 10.597 5.448) 12.770 0.627 ( -9.091 4.415 8.596) 13.268 0.868 ( -9.927 3.431 0.601) 10.520 1.064 ( -14.544 3.261 14.632) 20.887 1.156 ( 0.837 0.436 2.427) 2.604 1.368 ( -5.073 0.273 -1.783) 5.384 1.501 ( -2.665 2.224 1.101) 3.641 1.618 ( -3.250 -4.625 -0.705) 5.696 1.637 ( -9.902 -2.251 -1.080) 10.212 1.822 ( 0.859 0.050 2.745) 2.877 1.987 ( 0.322 -6.068 0.405) 6.090 2.095 ( 1.783 0.693 -1.178) 2.246 2.183 ( 1.371 -0.244 -3.560) 3.823 2.287 ( -3.407 0.042 -3.453) 4.851 2.332 ( -2.549 0.927 -1.120) 2.934 2.437 ( -9.993 -0.459 -2.258) 10.255 2.764 ( 4.681 0.004 7.953) 9.228 3.223 ( 4.353 2.123 -7.698) 9.095 3.840 ( -8.021 0.174 0.333) 8.030 3.846 ( -2.892 0.255 0.640) 2.973 3.954 ( -6.444 0.099 -1.485) 6.614 4.073 ( -13.794 -2.231 -9.825) 17.082 4.285 ( 0.053 -0.030 0.033) 0.069 4.317 ( -2.103 0.183 0.694) 2.222 4.335 ( -1.488 -0.016 -0.892) 1.735 4.490 ( -1.006 0.753 -5.236) 5.385 4.675 ( -3.454 -5.081 4.463) 7.594 4.770 ( -0.195 -1.008 1.830) 2.098 4.819 ( -0.771 0.998 -1.602) 2.039 5.048 ( 3.863 -1.273 -4.067) 5.752 5.431 ( -2.750 -11.600 13.326) 17.880 5.622 ( 1.776 -3.869 8.457) 9.468 5.864 ( 3.073 0.658 6.325) 7.063 6.399 ( 5.316 2.553 -12.193) 13.544 6.829 ( 2.902 -1.180 5.386) 6.231 6.843 ( 3.313 -0.470 3.390) 4.763 ======================= Grid point 186 (70/129) ======================= q-point: (-0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 0.000 15.286 5.014) 16.087 0.502 ( 0.000 10.841 13.827) 17.570 0.613 ( 0.000 5.710 9.689) 11.246 0.902 ( 0.000 1.790 14.107) 14.220 1.254 ( 0.000 2.283 -9.532) 9.802 1.263 ( -0.000 -4.595 0.898) 4.682 1.468 ( 0.000 1.571 2.972) 3.362 1.528 ( -0.000 -1.278 3.129) 3.380 1.599 ( -0.000 -3.494 -0.220) 3.500 1.837 ( -0.000 -0.668 3.719) 3.778 2.046 ( -0.000 -6.421 -1.250) 6.541 2.154 ( -0.000 -1.105 1.805) 2.117 2.186 ( 0.000 1.257 -8.628) 8.719 2.232 ( 0.000 0.770 -4.761) 4.823 2.310 ( 0.000 0.245 -2.109) 2.123 2.326 ( 0.000 0.845 -3.306) 3.412 2.885 ( -0.000 -3.034 5.477) 6.261 3.272 ( 0.000 1.876 -8.029) 8.245 3.747 ( 0.000 0.121 0.178) 0.215 3.757 ( 0.000 0.143 -0.092) 0.170 3.823 ( 0.000 0.100 0.952) 0.957 3.888 ( 0.000 0.083 -0.718) 0.722 4.266 ( 0.000 0.147 0.323) 0.355 4.298 ( 0.000 0.121 -0.468) 0.483 4.306 ( 0.000 0.288 1.020) 1.060 4.481 ( 0.000 0.269 -5.275) 5.282 4.660 ( -0.000 -5.206 10.878) 12.060 4.769 ( -0.000 -0.236 3.030) 3.040 4.812 ( 0.000 1.066 -0.727) 1.290 5.096 ( -0.000 -1.673 -3.393) 3.783 5.465 ( -0.000 -12.659 13.947) 18.835 5.665 ( -0.000 -5.820 9.870) 11.458 5.896 ( 0.000 0.233 7.029) 7.033 6.440 ( 0.000 2.839 -14.148) 14.430 6.849 ( 0.000 0.477 3.662) 3.693 6.926 ( -0.000 -5.179 5.434) 7.506 ======================= Grid point 191 (71/129) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 2.208 0.000 0.448) 2.253 1.052 ( -1.063 -0.000 -0.421) 1.143 1.328 ( -5.724 -0.000 3.982) 6.973 1.538 ( -1.306 -0.000 1.912) 2.316 1.653 ( -3.214 -0.000 1.215) 3.436 1.705 ( -2.808 -0.000 -0.487) 2.850 1.883 ( -0.841 -0.000 0.698) 1.093 1.939 ( 2.500 0.000 -0.644) 2.582 1.983 ( 0.193 0.000 9.320) 9.322 1.994 ( 0.654 0.000 4.542) 4.589 2.196 ( 3.035 0.000 0.319) 3.051 2.211 ( 3.683 0.000 -0.287) 3.694 2.422 ( 0.049 0.000 -7.099) 7.099 2.746 ( 0.387 0.000 -6.168) 6.181 2.967 ( -2.131 -0.000 0.535) 2.197 3.071 ( -0.661 -0.000 -3.969) 4.024 3.084 ( 3.422 0.000 3.308) 4.760 3.195 ( 0.115 0.000 -0.079) 0.140 3.798 ( -0.136 -0.000 1.441) 1.447 3.984 ( 0.296 0.000 -4.002) 4.013 4.205 ( -0.154 -0.000 1.035) 1.046 4.325 ( -0.749 -0.000 -2.553) 2.661 4.423 ( -0.441 -0.000 3.232) 3.262 4.452 ( 0.220 0.000 3.750) 3.756 4.541 ( -0.171 -0.000 2.119) 2.125 4.551 ( -0.167 -0.000 -0.943) 0.958 4.690 ( -0.402 -0.000 -7.805) 7.815 4.777 ( -0.391 -0.000 -2.263) 2.296 4.809 ( 0.381 0.000 1.794) 1.834 5.139 ( -0.061 -0.000 14.541) 14.541 5.183 ( -0.735 -0.000 -10.821) 10.846 5.479 ( 0.563 0.000 1.358) 1.470 5.525 ( 0.504 0.000 4.532) 4.560 5.701 ( -1.403 -0.000 -4.687) 4.892 6.580 ( 0.189 0.000 3.827) 3.832 6.795 ( -0.666 -0.000 -1.998) 2.106 ======================= Grid point 192 (72/129) ======================= q-point: (-0.67 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.777 0.136 0.836) 1.150 1.091 ( 3.306 0.161 -0.483) 3.345 1.232 ( -4.641 -1.154 4.574) 6.617 1.507 ( -2.211 -0.301 0.978) 2.437 1.582 ( -3.412 -0.872 0.089) 3.522 1.635 ( -3.229 -0.320 -0.813) 3.345 1.857 ( -2.348 -0.106 4.036) 4.671 1.919 ( -5.512 0.068 6.853) 8.795 1.980 ( 1.333 0.149 0.922) 1.628 2.036 ( 3.205 0.179 1.685) 3.626 2.213 ( -1.206 0.632 0.210) 1.378 2.219 ( -2.496 0.701 -0.208) 2.601 2.464 ( 3.496 0.006 -5.563) 6.570 2.732 ( -1.721 0.105 -5.569) 5.829 2.864 ( -7.561 0.005 2.686) 8.024 3.074 ( -0.665 0.051 -4.943) 4.988 3.134 ( 0.344 0.465 1.142) 1.280 3.148 ( -3.229 -0.231 0.656) 3.303 3.818 ( 2.138 -0.025 1.532) 2.631 4.022 ( 3.484 0.052 -4.688) 5.842 4.201 ( -0.200 -0.030 0.759) 0.785 4.266 ( -4.480 -0.098 0.110) 4.483 4.360 ( -2.198 -0.054 1.618) 2.730 4.484 ( -0.393 0.063 0.350) 0.529 4.497 ( -4.827 -0.174 -0.714) 4.883 4.554 ( 1.088 -0.016 4.360) 4.494 4.583 ( -5.515 -0.046 -4.796) 7.309 4.819 ( 1.237 -0.082 0.620) 1.386 4.849 ( 2.460 0.018 -3.717) 4.457 5.113 ( -4.844 -0.117 -8.022) 9.372 5.180 ( 3.889 -0.070 13.311) 13.868 5.471 ( -0.108 0.041 3.492) 3.494 5.649 ( 8.994 0.396 -0.437) 9.013 5.686 ( -0.043 -0.581 -3.134) 3.188 6.596 ( 1.432 0.066 3.125) 3.438 6.781 ( -0.754 -0.181 -1.721) 1.888 ======================= Grid point 193 (73/129) ======================= q-point: (-0.58 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -1.576 -0.178 1.240) 2.013 1.118 ( -1.201 0.241 -1.157) 1.685 1.130 ( -6.709 -2.830 4.705) 8.670 1.428 ( -5.814 -1.157 -0.152) 5.930 1.552 ( -1.002 -1.909 0.421) 2.197 1.604 ( -0.508 -1.452 -1.261) 1.989 1.739 ( -8.395 -0.041 6.841) 10.829 1.841 ( -2.174 0.489 4.481) 5.004 1.990 ( -0.503 0.655 -0.923) 1.239 2.080 ( 0.597 2.638 1.025) 2.892 2.126 ( -5.042 1.252 0.505) 5.219 2.169 ( -2.627 -0.948 0.008) 2.793 2.536 ( 2.871 0.095 -2.620) 3.888 2.662 ( -11.536 1.274 3.167) 12.031 2.676 ( -3.996 0.418 -3.066) 5.054 2.919 ( -12.821 -0.123 -1.171) 12.875 3.099 ( -4.477 0.303 0.149) 4.490 3.144 ( 1.131 0.295 -4.323) 4.478 3.879 ( 3.587 0.016 1.987) 4.101 4.112 ( 4.550 0.177 -4.912) 6.698 4.198 ( -1.066 0.099 0.333) 1.121 4.201 ( -0.062 -0.136 0.161) 0.220 4.330 ( -1.179 -0.183 0.195) 1.209 4.378 ( -5.682 -0.079 -1.595) 5.903 4.458 ( -2.438 -0.139 -0.091) 2.443 4.521 ( -1.040 -0.073 -2.048) 2.298 4.564 ( 0.397 -0.117 4.713) 4.731 4.822 ( -1.061 -0.122 0.397) 1.139 4.873 ( -0.002 -0.266 -4.699) 4.707 5.020 ( -4.338 -0.283 -5.535) 7.038 5.275 ( 4.637 -0.823 11.616) 12.535 5.477 ( 0.656 -0.031 3.919) 3.974 5.688 ( 0.430 -0.808 -0.430) 1.011 5.856 ( 10.953 0.202 -3.131) 11.393 6.636 ( 2.605 0.333 2.270) 3.471 6.768 ( -0.782 -0.733 -0.902) 1.400 ======================= Grid point 194 (74/129) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -7.138 -1.170 0.664) 7.264 1.016 ( -5.654 1.169 1.009) 5.861 1.057 ( -3.108 -1.355 2.332) 4.115 1.289 ( -8.872 -1.158 3.566) 9.631 1.528 ( -3.679 -5.229 0.879) 6.454 1.574 ( -5.885 0.038 4.068) 7.154 1.615 ( -1.593 -2.879 -1.075) 3.462 1.809 ( -0.474 2.002 3.830) 4.348 1.934 ( -4.212 2.205 -3.270) 5.771 1.967 ( -8.856 3.736 1.097) 9.674 2.061 ( -2.901 -0.457 2.215) 3.679 2.138 ( -1.578 -1.934 0.515) 2.548 2.374 ( -12.151 3.101 2.017) 12.702 2.564 ( -8.112 0.893 -1.791) 8.355 2.612 ( 2.361 -0.276 -0.188) 2.384 2.636 ( -12.832 -0.264 0.517) 12.846 2.946 ( -10.323 0.132 0.165) 10.325 3.157 ( 0.686 0.914 -6.393) 6.494 3.932 ( 1.005 0.233 2.310) 2.530 4.149 ( -0.683 0.131 0.333) 0.771 4.190 ( -1.746 1.034 -5.212) 5.593 4.226 ( 2.543 -0.031 -0.526) 2.597 4.292 ( -2.862 0.023 -1.740) 3.349 4.308 ( -2.319 -0.444 -1.155) 2.628 4.397 ( -2.031 0.049 2.774) 3.438 4.519 ( 0.194 -0.024 -1.395) 1.408 4.616 ( 5.159 0.172 2.303) 5.652 4.784 ( -2.458 -0.402 -0.074) 2.492 4.860 ( -1.381 -0.980 -6.144) 6.373 4.947 ( -2.995 -0.726 -4.337) 5.321 5.346 ( 0.739 -3.504 11.729) 12.264 5.499 ( 1.561 -0.380 4.615) 4.887 5.719 ( 2.414 -0.963 2.988) 3.960 6.077 ( 11.181 0.777 -5.342) 12.416 6.694 ( 3.273 0.837 1.814) 3.834 6.763 ( -0.105 -1.548 0.486) 1.626 ======================= Grid point 195 (75/129) ======================= q-point: (-0.42 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -6.714 5.321 1.248) 8.658 0.853 ( -9.209 0.581 0.810) 9.263 1.026 ( -2.788 -0.092 3.914) 4.806 1.114 ( -6.409 -0.237 8.179) 10.394 1.437 ( -8.842 -6.127 1.149) 10.819 1.477 ( -5.849 -1.554 6.463) 8.854 1.587 ( -2.916 -1.651 -0.816) 3.449 1.695 ( -9.899 7.043 0.147) 12.149 1.793 ( -5.349 0.414 -5.146) 7.434 1.831 ( -3.477 0.183 2.252) 4.147 1.979 ( -5.892 -3.545 2.036) 7.171 2.113 ( -1.661 -0.021 1.627) 2.326 2.196 ( -3.668 1.356 -0.866) 4.005 2.358 ( -7.471 -0.040 -3.439) 8.224 2.464 ( -6.983 0.711 0.841) 7.069 2.626 ( -4.981 -0.528 -2.208) 5.474 2.742 ( -5.358 0.235 5.407) 7.615 3.181 ( 2.704 1.656 -6.987) 7.672 3.909 ( -2.646 0.381 1.680) 3.157 4.038 ( -9.501 0.423 0.074) 9.511 4.106 ( -6.219 1.232 -3.168) 7.088 4.224 ( -4.976 -0.514 -4.504) 6.731 4.272 ( 0.073 -0.272 0.086) 0.295 4.295 ( 3.223 -0.189 -0.774) 3.320 4.378 ( -1.404 0.369 1.939) 2.422 4.516 ( -0.358 0.146 -1.454) 1.505 4.688 ( -1.358 -0.447 -0.534) 1.526 4.757 ( 0.216 -0.970 0.440) 1.086 4.838 ( -1.137 -1.146 -4.960) 5.216 4.940 ( 2.848 -1.503 -4.641) 5.649 5.343 ( -3.272 -7.203 14.323) 16.363 5.543 ( 2.278 -1.087 5.755) 6.284 5.793 ( 4.327 -0.009 5.465) 6.971 6.281 ( 9.377 1.428 -8.613) 12.812 6.749 ( 2.617 0.024 3.688) 4.522 6.792 ( 2.335 -0.876 1.180) 2.759 ======================= Grid point 196 (76/129) ======================= q-point: (-0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -4.511 6.441 6.919) 10.474 0.685 ( -4.354 8.651 4.853) 10.833 0.897 ( -7.164 2.148 5.428) 9.241 1.073 ( -6.005 -1.041 7.017) 9.294 1.186 ( -7.186 3.912 9.293) 12.382 1.376 ( -4.494 1.354 -1.619) 4.965 1.524 ( -2.692 1.733 0.428) 3.230 1.571 ( -3.732 -3.820 -0.959) 5.426 1.616 ( -9.440 -1.544 -1.990) 9.770 1.812 ( -0.497 -1.956 0.108) 2.021 1.929 ( -0.094 -4.796 1.494) 5.024 2.101 ( 1.206 0.393 -0.081) 1.271 2.176 ( 0.561 -1.017 -3.495) 3.683 2.285 ( -2.466 -0.254 -4.433) 5.079 2.341 ( -3.360 0.668 -1.030) 3.577 2.432 ( -9.854 -0.440 -2.296) 10.128 2.764 ( 4.074 -0.099 8.981) 9.862 3.245 ( 4.234 1.973 -7.029) 8.440 3.842 ( -8.132 0.183 0.402) 8.144 3.848 ( -3.021 0.242 0.701) 3.110 3.957 ( -7.187 0.376 -1.743) 7.404 4.047 ( -14.559 -2.667 -7.892) 16.774 4.285 ( 0.170 -0.000 -0.086) 0.190 4.319 ( -1.598 0.150 0.009) 1.605 4.334 ( -1.864 -0.066 -0.071) 1.866 4.500 ( -1.105 1.037 -5.407) 5.615 4.619 ( -4.132 -5.045 8.300) 10.555 4.764 ( -0.002 -0.290 1.438) 1.467 4.829 ( 0.186 0.971 -1.361) 1.682 5.036 ( 4.028 -1.010 -4.265) 5.953 5.322 ( -2.385 -8.651 15.412) 17.835 5.595 ( 1.926 -1.723 6.956) 7.421 5.871 ( 3.165 0.591 6.485) 7.240 6.419 ( 4.856 1.408 -12.311) 13.309 6.815 ( 3.490 -1.245 5.999) 7.051 6.844 ( 2.373 0.326 1.621) 2.893 ======================= Grid point 197 (77/129) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 0.000 4.763 14.158) 14.938 0.622 ( 0.000 11.421 10.964) 15.832 0.712 ( 0.000 11.799 -3.010) 12.177 0.929 ( 0.000 3.492 17.768) 18.108 1.219 ( -0.000 -3.333 3.209) 4.626 1.282 ( 0.000 3.060 -8.369) 8.910 1.488 ( 0.000 2.244 2.041) 3.033 1.511 ( -0.000 -1.908 2.061) 2.809 1.555 ( -0.000 -4.643 -0.087) 4.644 1.822 ( -0.000 -2.492 0.265) 2.506 1.981 ( -0.000 -5.636 0.461) 5.655 2.141 ( -0.000 -1.257 2.156) 2.495 2.188 ( -0.000 -0.767 -8.907) 8.940 2.238 ( 0.000 0.412 -5.779) 5.794 2.313 ( 0.000 0.246 -2.199) 2.212 2.330 ( -0.000 -0.028 -3.084) 3.084 2.854 ( -0.000 -2.746 8.536) 8.966 3.292 ( 0.000 1.751 -7.197) 7.407 3.748 ( 0.000 0.140 0.166) 0.217 3.759 ( 0.000 0.165 -0.118) 0.203 3.824 ( 0.000 0.115 0.952) 0.959 3.889 ( 0.000 0.094 -0.721) 0.727 4.268 ( 0.000 0.170 0.289) 0.335 4.299 ( 0.000 0.139 -0.495) 0.514 4.309 ( 0.000 0.311 1.117) 1.160 4.485 ( 0.000 0.536 -5.587) 5.613 4.608 ( -0.000 -4.363 13.566) 14.250 4.765 ( -0.000 -0.303 2.078) 2.100 4.827 ( 0.000 1.510 -0.834) 1.725 5.081 ( -0.000 -0.991 -2.671) 2.849 5.345 ( -0.000 -9.392 14.296) 17.105 5.627 ( -0.000 -2.344 7.811) 8.155 5.901 ( 0.000 0.637 6.803) 6.832 6.461 ( 0.000 1.242 -13.776) 13.832 6.854 ( 0.000 0.330 3.290) 3.306 6.886 ( -0.000 -2.432 4.800) 5.381 ======================= Grid point 204 (78/129) ======================= q-point: (-0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -1.809 -0.000 1.240) 2.193 1.115 ( -6.160 -0.000 4.995) 7.931 1.119 ( -1.432 -0.000 -1.216) 1.879 1.422 ( -5.942 -0.000 -0.454) 5.960 1.542 ( -1.157 -0.000 0.467) 1.248 1.596 ( -0.683 -0.000 -1.377) 1.537 1.739 ( -8.409 -0.000 7.101) 11.006 1.843 ( -1.991 -0.000 4.677) 5.084 1.993 ( -0.327 -0.000 -0.713) 0.785 2.095 ( 2.044 0.000 0.748) 2.176 2.134 ( -5.435 -0.000 0.119) 5.436 2.161 ( -4.054 -0.000 0.324) 4.067 2.536 ( 3.024 0.000 -2.709) 4.060 2.669 ( -11.493 -0.000 3.289) 11.954 2.678 ( -3.789 -0.000 -3.306) 5.028 2.919 ( -12.828 -0.000 -1.140) 12.878 3.101 ( -4.588 -0.000 0.144) 4.590 3.146 ( 1.242 0.000 -4.297) 4.473 3.879 ( 3.621 0.000 1.988) 4.131 4.113 ( 4.559 0.000 -4.925) 6.711 4.198 ( -1.275 -0.000 0.315) 1.314 4.200 ( 0.289 0.000 0.125) 0.314 4.329 ( -1.170 -0.000 0.232) 1.193 4.377 ( -5.708 -0.000 -1.587) 5.924 4.457 ( -2.386 -0.000 -0.078) 2.387 4.521 ( -1.023 -0.000 -2.105) 2.340 4.563 ( 0.381 0.000 4.764) 4.779 4.821 ( -1.080 -0.000 0.234) 1.105 4.871 ( -0.092 -0.000 -4.653) 4.654 5.019 ( -4.367 -0.000 -5.541) 7.055 5.271 ( 4.328 0.000 11.742) 12.514 5.476 ( 0.613 0.000 3.877) 3.925 5.684 ( 0.330 0.000 -0.246) 0.411 5.857 ( 11.059 0.000 -3.106) 11.486 6.638 ( 2.687 0.000 2.118) 3.422 6.764 ( -0.902 -0.000 -0.865) 1.250 ======================= Grid point 206 (79/129) ======================= q-point: (-0.58 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -5.728 -0.264 0.582) 5.764 1.027 ( -6.546 0.690 -0.611) 6.610 1.046 ( -1.406 -0.591 4.208) 4.476 1.278 ( -8.686 -0.703 3.008) 9.219 1.490 ( -5.027 -1.829 2.406) 5.866 1.577 ( -5.591 0.619 3.158) 6.451 1.591 ( -2.023 -1.665 -0.961) 2.790 1.824 ( 0.057 0.690 4.614) 4.666 1.945 ( -4.883 0.379 -3.526) 6.035 2.009 ( -7.050 3.109 0.152) 7.707 2.053 ( -5.941 -0.875 1.569) 6.207 2.119 ( -0.234 -1.294 1.620) 2.087 2.396 ( -12.358 1.080 1.933) 12.555 2.571 ( -8.293 0.339 -1.771) 8.487 2.610 ( 2.397 -0.119 -0.249) 2.412 2.634 ( -12.699 -0.107 0.400) 12.706 2.947 ( -10.381 0.054 0.260) 10.384 3.163 ( 0.865 0.325 -6.346) 6.413 3.934 ( 1.073 0.084 2.356) 2.591 4.150 ( -0.615 0.049 0.365) 0.717 4.198 ( -1.504 0.411 -5.361) 5.583 4.226 ( 2.532 -0.014 -0.556) 2.592 4.292 ( -2.927 0.034 -1.689) 3.380 4.305 ( -2.270 -0.186 -1.092) 2.526 4.398 ( -1.860 0.052 2.731) 3.305 4.519 ( 0.182 -0.011 -1.331) 1.343 4.618 ( 5.608 0.106 2.315) 6.069 4.780 ( -2.938 -0.300 -0.709) 3.037 4.853 ( -1.580 -0.328 -5.796) 6.017 4.941 ( -3.231 -0.290 -4.403) 5.469 5.320 ( -0.284 -1.280 12.611) 12.679 5.496 ( 1.403 -0.136 4.387) 4.608 5.712 ( 2.781 -0.287 3.468) 4.455 6.082 ( 11.328 0.259 -5.334) 12.524 6.701 ( 3.622 0.506 1.255) 3.866 6.750 ( -0.475 -0.759 0.766) 1.178 ======================= Grid point 207 (80/129) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -4.452 3.918 -0.428) 5.946 0.856 ( -7.511 0.196 0.128) 7.515 1.039 ( -1.416 2.569 5.388) 6.134 1.107 ( -6.357 -1.384 9.800) 11.763 1.361 ( -10.054 -6.598 4.462) 12.826 1.476 ( -3.767 0.448 2.985) 4.828 1.565 ( -2.299 -2.067 -2.573) 4.023 1.761 ( -10.709 4.527 -1.167) 11.685 1.811 ( -6.244 2.609 -1.251) 6.882 1.835 ( -3.912 1.195 0.622) 4.137 1.935 ( -7.118 -4.693 1.967) 8.750 2.112 ( -0.908 -0.200 2.641) 2.799 2.207 ( -5.227 0.650 -0.959) 5.354 2.357 ( -7.733 -0.025 -3.427) 8.458 2.470 ( -6.871 0.431 0.481) 6.901 2.621 ( -5.064 -0.347 -2.271) 5.560 2.744 ( -5.278 0.158 5.879) 7.902 3.194 ( 2.845 0.918 -6.721) 7.356 3.913 ( -2.667 0.217 1.766) 3.206 4.041 ( -9.632 0.207 0.379) 9.642 4.118 ( -6.137 0.982 -3.734) 7.250 4.219 ( -5.733 -0.428 -4.433) 7.259 4.270 ( 0.236 -0.148 -0.001) 0.279 4.293 ( 3.093 -0.127 -0.940) 3.235 4.382 ( -1.309 0.335 1.945) 2.368 4.517 ( -0.125 -0.044 -0.537) 0.553 4.684 ( -5.024 -0.210 -1.689) 5.305 4.745 ( 2.133 -1.084 0.499) 2.444 4.831 ( -0.302 -0.366 -3.586) 3.617 4.926 ( 2.753 -1.051 -4.886) 5.706 5.285 ( -3.585 -3.690 16.089) 16.892 5.535 ( 2.160 -0.488 5.258) 5.706 5.793 ( 4.690 0.039 5.803) 7.461 6.293 ( 9.397 0.701 -8.681) 12.812 6.750 ( 1.641 0.061 3.654) 4.006 6.785 ( 3.411 -0.503 0.823) 3.545 ======================= Grid point 208 (81/129) ======================= q-point: (-0.42 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -7.291 0.741 8.067) 10.899 0.802 ( 0.764 11.460 0.296) 11.489 0.918 ( -5.779 2.005 10.585) 12.226 1.058 ( -5.247 -1.249 7.480) 9.222 1.204 ( -3.699 -1.235 8.278) 9.150 1.398 ( -3.837 2.687 -1.182) 4.831 1.519 ( -3.606 -2.745 -1.864) 4.900 1.557 ( -5.717 1.323 -0.641) 5.903 1.614 ( -9.225 1.446 -0.952) 9.386 1.781 ( -2.799 -3.839 -1.180) 4.895 1.887 ( 0.436 -3.033 0.940) 3.205 2.104 ( 0.704 0.183 1.134) 1.348 2.164 ( -0.139 -1.085 -2.909) 3.108 2.282 ( -2.034 -0.276 -4.927) 5.338 2.346 ( -4.041 0.367 -1.082) 4.200 2.428 ( -9.699 -0.315 -2.378) 9.991 2.762 ( 3.493 -0.141 9.876) 10.476 3.263 ( 4.104 1.365 -6.514) 7.819 3.843 ( -8.327 0.140 0.459) 8.341 3.851 ( -3.017 0.168 0.756) 3.114 3.963 ( -8.197 0.801 -2.122) 8.505 4.019 ( -14.511 -2.551 -5.994) 15.906 4.285 ( 0.263 0.017 -0.182) 0.321 4.320 ( -1.009 0.038 -0.919) 1.365 4.334 ( -2.368 -0.002 1.053) 2.591 4.511 ( -1.142 0.968 -5.619) 5.815 4.574 ( -3.364 -3.248 10.184) 11.206 4.762 ( 0.051 -0.025 1.181) 1.183 4.838 ( 0.744 0.707 -1.238) 1.609 5.026 ( 4.455 -0.775 -5.189) 6.883 5.250 ( -1.764 -5.006 16.231) 17.077 5.581 ( 1.864 -0.917 6.274) 6.609 5.876 ( 3.255 0.396 6.608) 7.377 6.430 ( 4.434 0.685 -12.136) 12.939 6.805 ( 3.364 -0.752 5.940) 6.867 6.848 ( 2.515 0.355 0.997) 2.729 ======================= Grid point 209 (82/129) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 0.000 0.804 14.794) 14.816 0.736 ( 0.000 9.839 9.151) 13.437 0.820 ( 0.000 7.981 0.870) 8.028 0.970 ( 0.000 3.397 13.261) 13.689 1.207 ( 0.000 1.607 6.031) 6.241 1.317 ( 0.000 3.423 -6.954) 7.751 1.486 ( -0.000 -2.882 0.589) 2.941 1.505 ( -0.000 -4.411 0.147) 4.413 1.514 ( 0.000 2.642 1.212) 2.907 1.782 ( -0.000 -4.796 -2.537) 5.426 1.930 ( -0.000 -4.070 0.560) 4.108 2.129 ( -0.000 -1.078 2.521) 2.742 2.175 ( -0.000 -1.499 -6.912) 7.073 2.241 ( 0.000 0.291 -6.223) 6.230 2.315 ( 0.000 0.187 -2.282) 2.290 2.326 ( -0.000 -0.647 -2.631) 2.709 2.829 ( -0.000 -1.982 10.698) 10.880 3.308 ( 0.000 1.344 -6.575) 6.711 3.750 ( 0.000 0.122 0.154) 0.196 3.760 ( 0.000 0.143 -0.146) 0.204 3.825 ( 0.000 0.100 0.952) 0.957 3.890 ( 0.000 0.080 -0.723) 0.728 4.270 ( 0.000 0.147 0.254) 0.294 4.301 ( 0.000 0.119 -0.522) 0.536 4.313 ( 0.000 0.268 1.240) 1.269 4.491 ( 0.000 0.578 -5.642) 5.672 4.571 ( -0.000 -2.553 13.242) 13.486 4.763 ( -0.000 -0.085 1.539) 1.541 4.842 ( 0.000 1.272 -0.858) 1.534 5.074 ( -0.000 -0.400 -3.546) 3.568 5.264 ( -0.000 -6.142 13.870) 15.169 5.608 ( -0.000 -1.351 6.900) 7.031 5.908 ( 0.000 0.561 6.800) 6.823 6.469 ( 0.000 0.481 -13.117) 13.126 6.852 ( -0.000 -0.739 5.049) 5.103 6.874 ( -0.000 -0.025 2.091) 2.092 ======================= Grid point 218 (83/129) ======================= q-point: (-0.58 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -10.139 -0.000 0.616) 10.158 0.863 ( -0.312 -0.000 -2.043) 2.066 1.066 ( 2.705 0.000 5.124) 5.794 1.089 ( -9.138 -0.000 10.943) 14.257 1.322 ( -11.265 -0.000 5.555) 12.560 1.479 ( -3.467 -0.000 2.792) 4.452 1.553 ( -2.265 -0.000 -3.562) 4.222 1.784 ( -10.656 -0.000 -2.416) 10.927 1.822 ( -2.210 -0.000 0.537) 2.275 1.870 ( -9.593 -0.000 -0.954) 9.640 1.888 ( -6.300 -0.000 3.199) 7.066 2.110 ( -0.628 -0.000 3.028) 3.093 2.210 ( -5.780 -0.000 -0.990) 5.864 2.357 ( -7.813 -0.000 -3.418) 8.528 2.472 ( -6.845 -0.000 0.368) 6.855 2.619 ( -5.086 -0.000 -2.305) 5.583 2.745 ( -5.259 -0.000 6.047) 8.014 3.199 ( 2.897 0.000 -6.627) 7.232 3.914 ( -2.674 -0.000 1.796) 3.221 4.042 ( -9.674 -0.000 0.475) 9.686 4.124 ( -6.032 -0.000 -3.956) 7.213 4.217 ( -6.124 -0.000 -4.411) 7.547 4.269 ( 0.297 0.000 -0.032) 0.299 4.292 ( 3.045 0.000 -1.003) 3.206 4.384 ( -1.291 -0.000 1.912) 2.308 4.516 ( -0.078 -0.000 -0.069) 0.104 4.683 ( -7.200 -0.000 -2.435) 7.601 4.739 ( 3.834 0.000 0.782) 3.913 4.829 ( -0.049 -0.000 -2.982) 2.983 4.920 ( 2.695 0.000 -5.001) 5.681 5.265 ( -3.590 -0.000 16.574) 16.958 5.532 ( 2.123 0.000 5.112) 5.536 5.794 ( 4.798 0.000 5.906) 7.609 6.296 ( 9.396 0.000 -8.690) 12.798 6.750 ( 1.139 0.000 3.700) 3.872 6.782 ( 3.959 0.000 0.650) 4.012 ======================= Grid point 220 (84/129) ======================= q-point: (-0.50 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -7.602 -0.093 8.055) 11.076 0.899 ( 3.497 5.535 -4.847) 8.146 0.936 ( -5.519 1.148 14.445) 15.506 1.053 ( -10.942 0.271 11.268) 15.709 1.170 ( 4.298 -3.491 6.467) 8.513 1.427 ( -2.079 2.285 0.169) 3.094 1.488 ( -5.547 -2.460 -5.231) 8.011 1.575 ( -7.243 1.320 -0.219) 7.366 1.638 ( -10.161 2.313 1.174) 10.487 1.740 ( -3.564 -2.988 -1.387) 4.854 1.865 ( 0.729 -1.195 -0.731) 1.580 2.105 ( 0.434 0.058 1.960) 2.009 2.155 ( -0.516 -0.462 -2.361) 2.460 2.280 ( -1.898 -0.113 -5.136) 5.477 2.349 ( -4.431 0.119 -1.103) 4.568 2.426 ( -9.589 -0.116 -2.455) 9.899 2.761 ( 3.143 -0.067 10.388) 10.853 3.273 ( 4.022 0.485 -6.238) 7.438 3.844 ( -8.484 0.053 0.493) 8.498 3.852 ( -2.960 0.059 0.786) 3.064 3.974 ( -8.615 1.176 -2.475) 9.040 3.995 ( -14.469 -1.826 -4.769) 15.344 4.285 ( 0.314 0.009 -0.236) 0.393 4.320 ( -0.653 -0.009 -1.504) 1.640 4.334 ( -2.682 0.023 1.789) 3.224 4.519 ( -1.172 0.405 -5.830) 5.960 4.552 ( -2.592 -1.082 10.726) 11.087 4.762 ( 0.055 0.015 1.089) 1.091 4.844 ( 1.010 0.264 -1.153) 1.556 5.020 ( 4.825 -0.332 -6.009) 7.714 5.215 ( -1.570 -1.628 16.869) 17.020 5.575 ( 1.815 -0.297 5.984) 6.260 5.879 ( 3.308 0.138 6.670) 7.446 6.434 ( 4.197 0.203 -11.988) 12.703 6.799 ( 3.313 -0.247 5.913) 6.783 6.851 ( 2.645 0.145 0.725) 2.746 ======================= Grid point 221 (85/129) ======================= q-point: (-0.42 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -0.000 -0.440 14.275) 14.282 0.822 ( 0.000 6.012 8.210) 10.175 0.885 ( 0.000 4.607 13.667) 14.423 0.985 ( -0.000 -0.502 1.883) 1.949 1.247 ( 0.000 4.832 7.318) 8.769 1.352 ( 0.000 3.119 -5.626) 6.433 1.447 ( -0.000 -3.845 -0.076) 3.845 1.472 ( -0.000 -2.109 -0.455) 2.158 1.542 ( 0.000 2.280 0.870) 2.441 1.731 ( -0.000 -4.357 -3.224) 5.420 1.893 ( -0.000 -2.730 -1.463) 3.097 2.120 ( -0.000 -0.620 2.799) 2.867 2.161 ( -0.000 -1.004 -4.349) 4.463 2.244 ( 0.000 0.135 -6.318) 6.319 2.317 ( 0.000 0.099 -2.340) 2.342 2.319 ( -0.000 -0.524 -2.295) 2.355 2.813 ( -0.000 -1.028 11.905) 11.949 3.319 ( 0.000 0.734 -6.225) 6.269 3.751 ( 0.000 0.071 0.145) 0.162 3.762 ( 0.000 0.083 -0.166) 0.186 3.826 ( 0.000 0.058 0.953) 0.954 3.891 ( 0.000 0.046 -0.725) 0.727 4.271 ( 0.000 0.085 0.229) 0.244 4.302 ( 0.000 0.068 -0.542) 0.546 4.315 ( 0.000 0.160 1.341) 1.351 4.496 ( 0.000 0.254 -4.793) 4.800 4.553 ( -0.000 -0.931 11.352) 11.390 4.763 ( -0.000 -0.001 1.361) 1.361 4.852 ( 0.000 0.726 -0.865) 1.129 5.072 ( -0.000 -0.106 -5.436) 5.437 5.215 ( -0.000 -3.237 15.106) 15.449 5.597 ( -0.000 -0.655 6.457) 6.490 5.913 ( 0.000 0.314 6.822) 6.829 6.472 ( 0.000 0.148 -12.624) 12.625 6.844 ( -0.000 -0.521 5.606) 5.630 6.877 ( 0.000 0.323 1.020) 1.070 ======================= Grid point 233 (86/129) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 0.000 14.205) 14.205 0.855 ( 0.000 0.000 7.938) 7.938 0.913 ( 0.000 0.000 24.756) 24.756 0.976 ( 0.000 0.000 -7.965) 7.965 1.278 ( 0.000 0.000 6.927) 6.927 1.373 ( 0.000 0.000 -5.358) 5.358 1.422 ( -0.000 -0.000 0.322) 0.322 1.460 ( 0.000 0.000 -1.127) 1.127 1.555 ( 0.000 0.000 0.971) 0.971 1.704 ( -0.000 -0.000 -3.272) 3.272 1.877 ( 0.000 0.000 -2.663) 2.663 2.116 ( 0.000 0.000 2.904) 2.904 2.155 ( 0.000 0.000 -3.187) 3.187 2.244 ( 0.000 0.000 -6.327) 6.327 2.316 ( 0.000 0.000 -2.195) 2.195 2.317 ( 0.000 0.000 -2.360) 2.360 2.807 ( 0.000 0.000 12.283) 12.283 3.323 ( 0.000 0.000 -6.115) 6.115 3.751 ( 0.000 0.000 0.142) 0.142 3.762 ( 0.000 0.000 -0.174) 0.174 3.827 ( 0.000 0.000 0.953) 0.953 3.891 ( 0.000 0.000 -0.726) 0.726 4.272 ( 0.000 0.000 0.220) 0.220 4.302 ( 0.000 0.000 -0.549) 0.549 4.316 ( 0.000 0.000 1.381) 1.381 4.497 ( 0.000 0.000 -3.970) 3.970 4.549 ( 0.000 0.000 10.059) 10.059 4.763 ( 0.000 0.000 1.331) 1.331 4.856 ( 0.000 0.000 -0.859) 0.859 5.071 ( 0.000 0.000 -6.596) 6.596 5.197 ( 0.000 0.000 16.115) 16.115 5.594 ( 0.000 0.000 6.320) 6.320 5.914 ( 0.000 0.000 6.830) 6.830 6.473 ( 0.000 0.000 -12.446) 12.446 6.841 ( 0.000 0.000 5.650) 5.650 6.879 ( 0.000 0.000 0.822) 0.822 ======================= Grid point 302 (87/129) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( 0.000 0.000 11.159) 11.159 0.533 ( 0.000 0.000 -9.986) 9.986 0.703 ( 0.000 0.000 17.659) 17.659 0.998 ( 0.000 0.000 -14.618) 14.618 1.177 ( 0.000 0.000 11.014) 11.014 1.281 ( 0.000 0.000 -3.025) 3.025 1.598 ( 0.000 0.000 2.241) 2.241 1.626 ( 0.000 0.000 -0.976) 0.976 1.648 ( 0.000 0.000 18.780) 18.780 1.960 ( 0.000 0.000 7.134) 7.134 1.984 ( 0.000 0.000 -14.029) 14.029 2.087 ( 0.000 0.000 -5.952) 5.952 2.199 ( 0.000 0.000 0.378) 0.378 2.206 ( 0.000 0.000 2.696) 2.696 2.227 ( 0.000 0.000 -3.574) 3.574 2.260 ( 0.000 0.000 -3.022) 3.022 2.958 ( 0.000 0.000 3.381) 3.381 3.068 ( 0.000 0.000 -8.835) 8.835 3.750 ( 0.000 0.000 0.239) 0.239 3.754 ( 0.000 0.000 -0.154) 0.154 3.844 ( 0.000 0.000 1.390) 1.390 3.869 ( 0.000 0.000 -1.252) 1.252 4.274 ( 0.000 0.000 0.621) 0.621 4.286 ( 0.000 0.000 -0.672) 0.672 4.334 ( 0.000 0.000 2.503) 2.503 4.394 ( 0.000 0.000 -4.111) 4.111 4.767 ( 0.000 0.000 1.359) 1.359 4.784 ( 0.000 0.000 -0.229) 0.229 4.882 ( 0.000 0.000 5.992) 5.992 4.999 ( 0.000 0.000 -6.745) 6.745 5.718 ( 0.000 0.000 6.601) 6.601 5.822 ( 0.000 0.000 -4.327) 4.327 6.031 ( 0.000 0.000 6.894) 6.894 6.187 ( 0.000 0.000 -9.537) 9.537 6.935 ( 0.000 0.000 4.583) 4.583 7.005 ( 0.000 0.000 -3.103) 3.103 ======================= Grid point 303 (88/129) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 12.889 -2.060 6.721) 14.681 0.612 ( 8.228 -1.043 -3.928) 9.177 0.842 ( 10.574 -2.006 9.134) 14.116 1.033 ( 2.798 -0.772 -9.957) 10.371 1.275 ( 8.338 -0.749 6.276) 10.463 1.337 ( 5.181 -0.214 -2.416) 5.721 1.651 ( 2.059 0.707 10.184) 10.414 1.671 ( 6.500 0.916 0.035) 6.564 1.699 ( 6.416 0.564 9.552) 11.521 1.939 ( -0.834 1.681 6.422) 6.691 1.992 ( 1.503 -1.152 -9.431) 9.619 2.062 ( -1.775 1.575 -3.862) 4.533 2.133 ( -3.204 -0.475 0.198) 3.245 2.189 ( -0.038 0.061 -6.954) 6.955 2.331 ( 7.863 -0.097 2.860) 8.368 2.390 ( 9.355 0.101 -3.381) 9.948 2.873 ( -5.294 -0.576 5.966) 7.997 3.009 ( -4.504 -0.955 -9.456) 10.517 3.844 ( 7.315 -0.089 0.573) 7.338 3.851 ( 4.173 -0.097 0.150) 4.177 3.932 ( 6.130 0.062 -0.796) 6.182 3.952 ( 10.751 0.002 -4.013) 11.475 4.295 ( 0.716 0.091 0.764) 1.052 4.312 ( 1.179 0.119 -1.043) 1.579 4.348 ( 2.241 -0.157 2.346) 3.248 4.402 ( 1.458 -0.060 -3.625) 3.907 4.756 ( -1.002 0.280 1.307) 1.670 4.777 ( -0.763 -0.244 -0.936) 1.231 4.860 ( -1.797 0.230 4.845) 5.173 4.961 ( -3.406 0.175 -6.072) 6.964 5.693 ( -1.985 1.075 6.314) 6.705 5.790 ( -2.343 2.215 -4.086) 5.204 5.994 ( -3.457 -0.303 8.203) 8.907 6.156 ( -3.278 -0.773 -9.392) 9.978 6.906 ( -2.420 0.432 3.196) 4.032 6.938 ( -5.151 0.884 0.154) 5.228 ======================= Grid point 304 (89/129) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 14.732 0.890 2.936) 15.048 0.824 ( 10.906 -0.236 -0.803) 10.938 1.073 ( 9.593 -0.558 1.268) 9.693 1.103 ( 4.882 -1.212 -1.719) 5.316 1.440 ( 6.991 -1.787 0.673) 7.247 1.478 ( 7.234 -3.552 -2.624) 8.475 1.708 ( 3.881 1.765 7.372) 8.517 1.783 ( 4.379 4.248 -3.651) 7.110 1.881 ( 8.889 4.205 11.407) 15.060 1.925 ( 0.761 1.776 4.884) 5.252 2.041 ( 2.637 -4.134 1.396) 5.098 2.069 ( 2.848 0.265 -0.355) 2.883 2.107 ( 1.712 -2.186 -1.592) 3.200 2.240 ( 7.417 0.004 -10.778) 13.084 2.501 ( 8.141 0.027 4.141) 9.134 2.579 ( 7.479 0.206 -4.114) 8.538 2.821 ( 0.952 -0.814 5.447) 5.589 2.951 ( -1.200 -1.457 -9.134) 9.327 3.932 ( 3.666 -0.376 2.445) 4.423 3.982 ( 5.805 -0.491 -2.833) 6.478 4.079 ( 6.969 -0.077 1.409) 7.110 4.136 ( 6.642 -0.075 -4.807) 8.200 4.287 ( -0.596 0.293 0.203) 0.694 4.292 ( -2.371 0.186 -0.349) 2.404 4.409 ( 2.602 -0.131 2.294) 3.472 4.455 ( 2.522 -0.193 -2.759) 3.743 4.725 ( -2.005 0.248 1.821) 2.720 4.763 ( -0.248 -0.001 -1.961) 1.976 4.829 ( -0.677 0.467 1.745) 1.929 4.892 ( -2.178 0.416 -4.502) 5.019 5.640 ( -2.476 1.317 5.492) 6.167 5.716 ( -3.626 2.801 -2.239) 5.100 5.908 ( -5.185 -0.490 8.031) 9.572 6.064 ( -6.384 -1.058 -8.603) 10.765 6.832 ( -4.522 0.806 2.744) 5.350 6.849 ( -2.643 0.725 0.656) 2.817 ======================= Grid point 305 (90/129) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 5.443 0.257 0.999) 5.539 1.018 ( 6.954 1.178 -1.394) 7.189 1.194 ( 8.886 2.629 5.321) 10.686 1.296 ( 10.079 1.524 -4.906) 11.312 1.608 ( 8.660 -4.208 2.801) 10.027 1.647 ( 7.384 -4.160 -1.226) 8.563 1.748 ( 1.112 6.353 1.432) 6.606 1.781 ( -1.046 5.753 -1.604) 6.063 1.915 ( 0.423 -0.801 3.185) 3.311 1.932 ( 0.415 -2.545 0.676) 2.666 2.092 ( 1.229 -0.668 3.929) 4.170 2.157 ( 1.619 0.305 -2.156) 2.714 2.329 ( 17.692 -3.293 9.400) 20.303 2.483 ( 12.425 -1.202 -4.667) 13.327 2.615 ( -2.440 0.220 -0.519) 2.504 2.629 ( 5.633 0.195 -2.284) 6.081 2.943 ( 8.404 -0.368 0.565) 8.431 2.989 ( 3.911 -1.102 -5.342) 6.712 3.977 ( -0.103 -0.404 3.904) 3.926 4.061 ( 0.768 -0.524 -5.130) 5.213 4.161 ( 1.669 -0.176 1.460) 2.224 4.199 ( -0.236 -0.029 -2.484) 2.495 4.275 ( 2.265 -0.036 0.577) 2.338 4.297 ( 1.830 0.191 -1.535) 2.396 4.444 ( 1.207 0.132 2.068) 2.398 4.482 ( 0.366 -0.013 -2.195) 2.225 4.685 ( -1.187 0.347 4.805) 4.961 4.775 ( 1.249 0.158 -4.088) 4.277 4.835 ( 1.450 0.764 1.150) 2.002 4.891 ( 1.790 0.411 -4.095) 4.488 5.584 ( -2.405 1.319 4.446) 5.224 5.620 ( -4.586 1.810 2.068) 5.346 5.801 ( -5.363 -0.016 4.100) 6.751 5.919 ( -8.274 -1.000 -7.128) 10.967 6.752 ( -3.035 0.645 3.720) 4.844 6.800 ( -1.759 0.932 -1.455) 2.466 ======================= Grid point 306 (91/129) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.536 0.017 1.523) 1.614 1.075 ( 0.350 -0.474 -1.546) 1.654 1.375 ( 8.823 5.156 4.667) 11.235 1.463 ( 7.416 3.671 -4.390) 9.367 1.689 ( -2.145 5.763 0.090) 6.150 1.693 ( -1.985 4.698 -0.235) 5.106 1.815 ( 8.794 -4.037 2.303) 9.947 1.828 ( 5.632 -3.702 0.553) 6.762 1.956 ( 2.603 -2.009 2.653) 4.225 1.979 ( 2.627 -3.559 -0.296) 4.434 2.123 ( 1.532 -0.979 4.285) 4.655 2.170 ( -0.170 -0.171 -0.192) 0.308 2.529 ( -5.188 0.479 1.807) 5.514 2.587 ( 0.143 -0.232 -3.852) 3.862 2.682 ( 14.846 -1.709 6.428) 16.268 2.832 ( 11.552 -0.388 -8.655) 14.439 3.076 ( 3.714 -0.510 -0.561) 3.791 3.081 ( 4.330 -0.537 -0.370) 4.379 3.931 ( -3.725 -0.061 3.800) 5.322 4.012 ( -4.350 -0.125 -4.959) 6.598 4.204 ( 1.900 0.094 0.175) 1.910 4.206 ( 1.955 0.034 -0.038) 1.956 4.343 ( 3.028 0.248 0.289) 3.052 4.354 ( 5.041 0.041 -1.026) 5.144 4.465 ( 1.256 0.288 0.401) 1.349 4.488 ( 0.636 0.118 -1.894) 2.001 4.677 ( -0.044 0.319 6.580) 6.587 4.792 ( 0.086 0.303 -5.618) 5.626 4.863 ( 1.308 0.444 2.752) 3.079 4.936 ( 2.513 0.416 -4.984) 5.597 5.505 ( -4.717 1.131 7.894) 9.265 5.546 ( -1.961 0.454 2.468) 3.185 5.701 ( -4.411 0.465 -0.964) 4.539 5.756 ( -8.118 -0.747 -5.262) 9.703 6.701 ( -1.834 0.492 4.328) 4.727 6.768 ( -1.027 0.877 -2.839) 3.144 ======================= Grid point 307 (92/129) ======================= q-point: ( 0.42 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.797 -0.455 1.213) 1.521 1.063 ( -1.336 -0.435 -1.127) 1.801 1.433 ( -0.100 4.169 5.090) 6.580 1.521 ( 0.184 2.786 -3.861) 4.765 1.668 ( 2.517 2.982 0.244) 3.910 1.672 ( 2.087 2.361 -0.141) 3.154 1.899 ( 0.575 -1.001 1.664) 2.025 1.927 ( 0.271 -1.894 -1.259) 2.291 2.066 ( 6.361 -1.967 4.516) 8.045 2.083 ( 5.692 -2.468 2.933) 6.863 2.160 ( 1.362 -1.025 2.271) 2.840 2.181 ( 1.947 -1.056 1.908) 2.924 2.406 ( -6.643 0.585 2.304) 7.056 2.573 ( -1.105 0.287 -11.164) 11.222 2.916 ( 7.439 -0.184 3.281) 8.132 2.987 ( 3.265 0.132 -4.734) 5.752 3.130 ( 1.315 -0.839 1.260) 2.005 3.145 ( 2.804 -0.576 -0.337) 2.882 3.864 ( -2.480 0.112 3.202) 4.052 3.934 ( -2.870 0.022 -4.431) 5.279 4.226 ( 0.834 0.154 1.565) 1.779 4.257 ( 2.076 0.296 -1.727) 2.717 4.415 ( 4.480 0.232 3.546) 5.718 4.476 ( 6.330 0.133 -2.191) 6.700 4.494 ( 1.548 0.224 -0.047) 1.564 4.513 ( 1.912 0.221 -2.650) 3.275 4.656 ( -2.129 0.045 6.268) 6.620 4.765 ( -2.684 0.149 -5.391) 6.024 4.874 ( -0.002 0.143 4.265) 4.268 4.979 ( 1.899 0.297 -7.191) 7.443 5.420 ( -3.039 0.326 10.960) 11.378 5.517 ( -0.668 0.195 1.331) 1.502 5.606 ( -5.487 -0.230 -2.509) 6.038 5.634 ( -3.148 0.227 -4.637) 5.609 6.672 ( -0.890 0.276 4.676) 4.767 6.749 ( -0.523 0.533 -3.562) 3.639 ======================= Grid point 308 (93/129) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 0.000 -0.000 0.813) 0.813 1.047 ( 0.000 -0.000 -0.767) 0.767 1.408 ( 0.000 -0.000 5.730) 5.730 1.505 ( 0.000 -0.000 -4.393) 4.393 1.693 ( 0.000 -0.000 0.920) 0.920 1.700 ( 0.000 -0.000 -0.069) 0.069 1.902 ( 0.000 0.000 0.946) 0.946 1.922 ( 0.000 -0.000 -1.134) 1.134 2.112 ( 0.000 -0.000 7.784) 7.784 2.192 ( -0.000 0.000 0.185) 0.185 2.197 ( 0.000 -0.000 0.044) 0.044 2.252 ( 0.000 -0.000 17.220) 17.220 2.269 ( 0.000 -0.000 -8.993) 8.993 2.556 ( 0.000 -0.000 -14.542) 14.542 2.986 ( 0.000 -0.000 0.582) 0.582 3.005 ( 0.000 -0.000 -1.621) 1.621 3.146 ( 0.000 -0.000 2.552) 2.552 3.182 ( 0.000 -0.000 -1.253) 1.253 3.838 ( 0.000 -0.000 2.991) 2.991 3.905 ( 0.000 -0.000 -4.261) 4.261 4.233 ( 0.000 -0.000 2.045) 2.045 4.277 ( 0.000 -0.000 -2.600) 2.600 4.489 ( -0.000 -0.000 4.065) 4.065 4.501 ( 0.000 -0.000 1.767) 1.767 4.529 ( 0.000 -0.000 -1.403) 1.403 4.573 ( -0.000 -0.000 -5.256) 5.256 4.618 ( 0.000 -0.000 5.579) 5.579 4.715 ( 0.000 -0.000 -4.631) 4.631 4.871 ( 0.000 -0.000 5.194) 5.194 5.000 ( 0.000 -0.000 -8.857) 8.857 5.388 ( 0.000 -0.000 11.725) 11.725 5.521 ( 0.000 -0.000 3.422) 3.422 5.534 ( -0.000 -0.000 -3.865) 3.865 5.603 ( 0.000 -0.000 -5.396) 5.396 6.663 ( 0.000 -0.000 4.778) 4.778 6.742 ( 0.000 -0.000 -3.776) 3.776 ======================= Grid point 316 (94/129) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 15.432 0.000 2.454) 15.626 0.823 ( 11.173 0.000 -0.287) 11.176 1.069 ( 12.067 0.000 1.319) 12.139 1.097 ( 3.625 0.000 -1.826) 4.059 1.431 ( 6.659 0.000 -0.186) 6.662 1.457 ( 6.783 0.000 -2.300) 7.163 1.716 ( 4.285 0.000 9.122) 10.079 1.806 ( 5.099 0.000 -4.053) 6.514 1.904 ( 5.738 0.000 10.701) 12.143 1.948 ( 8.791 0.000 8.535) 12.253 2.003 ( -3.832 -0.000 -1.919) 4.285 2.084 ( -1.188 -0.000 1.817) 2.171 2.085 ( 6.021 0.000 -4.139) 7.306 2.241 ( 6.952 0.000 -10.951) 12.972 2.502 ( 8.183 0.000 4.260) 9.226 2.580 ( 7.451 0.000 -4.120) 8.514 2.817 ( 1.137 0.000 5.157) 5.281 2.943 ( -1.047 -0.000 -9.099) 9.159 3.930 ( 3.646 0.000 2.401) 4.366 3.979 ( 5.772 0.000 -2.821) 6.424 4.079 ( 6.912 0.000 1.394) 7.052 4.136 ( 6.612 0.000 -4.838) 8.193 4.289 ( -0.584 -0.000 0.193) 0.615 4.293 ( -2.470 -0.000 -0.299) 2.488 4.408 ( 2.678 0.000 2.273) 3.512 4.454 ( 2.576 0.000 -2.740) 3.761 4.726 ( -2.048 -0.000 1.776) 2.711 4.763 ( -0.198 -0.000 -1.878) 1.888 4.831 ( -0.606 -0.000 1.675) 1.781 4.894 ( -2.207 -0.000 -4.540) 5.048 5.647 ( -2.641 -0.000 5.656) 6.242 5.731 ( -4.032 -0.000 -3.052) 5.057 5.905 ( -5.075 -0.000 7.843) 9.341 6.058 ( -6.289 -0.000 -8.333) 10.440 6.836 ( -4.672 -0.000 2.788) 5.440 6.853 ( -2.647 -0.000 0.717) 2.742 ======================= Grid point 317 (95/129) ======================= q-point: ( 0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 5.431 0.044 1.307) 5.586 1.027 ( 5.841 0.456 -1.958) 6.178 1.217 ( 10.353 1.399 4.958) 11.564 1.308 ( 11.482 0.656 -3.960) 12.164 1.576 ( 8.260 -1.662 1.441) 8.548 1.611 ( 7.961 -2.058 -1.809) 8.419 1.800 ( 3.679 2.865 4.418) 6.423 1.842 ( -2.060 5.393 0.348) 5.784 1.896 ( 0.475 -3.894 -0.685) 3.982 1.908 ( -4.086 -0.710 -0.863) 4.236 2.086 ( 1.009 -0.368 5.158) 5.268 2.159 ( 1.718 0.099 -2.268) 2.847 2.303 ( 19.007 -1.328 10.639) 21.822 2.474 ( 12.469 -0.452 -5.023) 13.450 2.617 ( -2.386 0.077 -0.545) 2.448 2.630 ( 5.627 0.065 -2.328) 6.090 2.940 ( 8.528 -0.114 0.294) 8.534 2.981 ( 4.235 -0.429 -5.137) 6.671 3.974 ( 0.020 -0.150 3.846) 3.849 4.057 ( 0.951 -0.188 -5.098) 5.189 4.160 ( 1.706 -0.062 1.485) 2.263 4.199 ( -0.216 -0.010 -2.564) 2.573 4.275 ( 2.279 -0.014 0.640) 2.367 4.299 ( 1.756 0.068 -1.631) 2.397 4.445 ( 1.279 0.055 2.012) 2.385 4.482 ( 0.421 -0.004 -2.148) 2.189 4.688 ( -1.158 0.138 4.899) 5.036 4.776 ( 1.288 0.046 -3.631) 3.853 4.840 ( 1.336 0.270 0.726) 1.544 4.894 ( 1.754 0.130 -4.098) 4.459 5.594 ( -2.455 0.472 4.497) 5.145 5.633 ( -5.414 0.678 2.177) 5.874 5.801 ( -5.067 0.049 3.064) 5.922 5.912 ( -8.144 -0.417 -6.807) 10.623 6.757 ( -3.145 0.253 3.927) 5.037 6.807 ( -1.819 0.341 -1.490) 2.376 ======================= Grid point 318 (96/129) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.329 0.034 1.257) 1.300 1.071 ( 0.140 -0.325 -1.316) 1.363 1.423 ( 9.030 3.637 3.907) 10.490 1.497 ( 7.498 2.525 -3.533) 8.665 1.737 ( -2.061 3.160 0.917) 3.882 1.747 ( -3.665 4.742 -0.390) 6.006 1.778 ( 8.379 -2.437 1.571) 8.867 1.793 ( 6.454 -2.698 -0.179) 6.998 1.926 ( 3.169 -3.344 2.174) 5.095 1.948 ( 2.584 -2.071 -0.941) 3.443 2.114 ( 1.676 -0.601 5.465) 5.747 2.168 ( -0.569 -0.099 0.055) 0.580 2.533 ( -5.120 0.286 1.886) 5.464 2.585 ( 0.477 -0.179 -3.376) 3.414 2.668 ( 15.587 -0.985 6.826) 17.045 2.829 ( 11.610 -0.194 -9.218) 14.826 3.072 ( 3.838 -0.291 -0.562) 3.890 3.076 ( 4.246 -0.316 -0.347) 4.272 3.930 ( -3.582 -0.038 3.785) 5.212 4.011 ( -4.221 -0.072 -4.913) 6.478 4.205 ( 1.977 0.084 0.128) 1.983 4.206 ( 2.106 -0.014 0.008) 2.106 4.345 ( 2.946 0.172 0.187) 2.957 4.354 ( 5.180 -0.002 -0.959) 5.268 4.468 ( 1.282 0.184 0.309) 1.331 4.489 ( 0.668 0.048 -1.828) 1.946 4.680 ( -0.161 0.186 6.656) 6.661 4.794 ( 0.058 0.125 -5.332) 5.333 4.867 ( 1.140 0.284 2.542) 2.801 4.939 ( 2.475 0.236 -5.015) 5.598 5.515 ( -5.364 0.698 7.999) 9.657 5.549 ( -2.015 0.191 2.912) 3.547 5.706 ( -4.276 0.465 -2.157) 4.811 5.749 ( -8.009 -0.596 -4.966) 9.442 6.706 ( -1.940 0.302 4.591) 4.993 6.776 ( -1.173 0.500 -2.932) 3.197 ======================= Grid point 319 (97/129) ======================= q-point: ( 0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.832 -0.295 1.207) 1.495 1.059 ( -1.101 -0.285 -1.150) 1.617 1.475 ( -1.726 3.500 4.347) 5.842 1.548 ( -0.962 2.262 -3.014) 3.890 1.694 ( 0.690 1.927 0.252) 2.063 1.697 ( 1.279 2.312 -0.101) 2.644 1.889 ( 1.348 -0.835 0.960) 1.854 1.907 ( 1.243 -1.864 -0.871) 2.404 2.046 ( 7.426 -1.837 3.339) 8.347 2.056 ( 6.599 -2.431 1.949) 7.297 2.154 ( 0.524 -0.347 2.877) 2.945 2.172 ( 2.982 -0.552 3.112) 4.345 2.411 ( -6.646 0.426 2.612) 7.153 2.575 ( -1.006 0.183 -10.703) 10.751 2.914 ( 7.952 -0.220 3.335) 8.626 2.989 ( 3.465 0.109 -5.050) 6.126 3.122 ( 1.117 -0.618 1.454) 1.935 3.140 ( 3.073 -0.382 -0.454) 3.130 3.865 ( -2.485 0.077 3.196) 4.049 3.934 ( -2.863 0.009 -4.337) 5.196 4.227 ( 0.811 0.114 1.610) 1.806 4.260 ( 2.048 0.220 -1.820) 2.749 4.417 ( 4.468 0.170 3.574) 5.724 4.477 ( 6.305 0.105 -2.142) 6.660 4.496 ( 1.405 0.171 -0.028) 1.415 4.515 ( 1.965 0.141 -2.722) 3.361 4.657 ( -2.256 0.026 6.315) 6.706 4.766 ( -2.812 0.078 -5.410) 6.097 4.876 ( -0.115 0.128 4.314) 4.317 4.982 ( 1.792 0.223 -7.272) 7.493 5.423 ( -3.274 0.233 11.049) 11.526 5.519 ( -0.795 0.132 1.758) 1.934 5.605 ( -5.620 -0.122 -2.677) 6.226 5.636 ( -2.967 0.143 -5.073) 5.879 6.675 ( -1.019 0.210 4.861) 4.972 6.754 ( -0.757 0.386 -3.636) 3.734 ======================= Grid point 320 (98/129) ======================= q-point: ( 0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.534 0.152 0.752) 0.935 1.046 ( 0.114 -0.067 -0.697) 0.710 1.411 ( -2.156 0.416 5.673) 6.083 1.506 ( -1.441 0.207 -4.316) 4.555 1.690 ( -1.681 -0.547 0.984) 2.023 1.699 ( -1.660 -0.215 -0.220) 1.688 1.902 ( 0.373 -0.101 0.988) 1.061 1.922 ( 1.096 -0.022 -1.142) 1.583 2.112 ( 0.243 -0.102 7.794) 7.799 2.192 ( 2.872 -0.048 0.847) 2.995 2.199 ( 1.776 0.321 -0.140) 1.810 2.252 ( 2.254 0.026 15.162) 15.329 2.270 ( -3.455 0.164 -7.399) 8.168 2.556 ( -0.336 0.018 -14.524) 14.528 2.984 ( -0.427 -0.327 0.689) 0.874 3.006 ( -0.121 0.118 -1.871) 1.879 3.146 ( 0.807 -0.017 2.673) 2.792 3.183 ( 0.370 0.104 -1.249) 1.307 3.838 ( -0.088 -0.007 2.990) 2.991 3.905 ( -0.023 -0.010 -4.260) 4.260 4.234 ( -0.108 0.003 2.048) 2.051 4.277 ( -0.210 0.012 -2.603) 2.611 4.489 ( -0.465 0.007 4.054) 4.081 4.501 ( 0.106 0.017 1.776) 1.779 4.529 ( -0.072 -0.030 -1.402) 1.405 4.573 ( -0.267 0.024 -5.256) 5.263 4.617 ( 0.090 -0.018 5.578) 5.579 4.715 ( 0.019 -0.027 -4.628) 4.628 4.871 ( -0.040 0.013 5.191) 5.191 5.000 ( -0.177 0.002 -8.853) 8.855 5.388 ( -0.131 -0.006 11.725) 11.726 5.521 ( -0.213 -0.014 3.330) 3.337 5.534 ( 0.319 0.027 -3.777) 3.790 5.603 ( -0.196 0.008 -5.393) 5.397 6.663 ( -0.145 0.000 4.777) 4.779 6.742 ( -0.287 -0.001 -3.776) 3.787 ======================= Grid point 321 (99/129) ======================= q-point: (-0.50 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.719 0.522 1.231) 1.518 1.068 ( 1.638 0.522 -1.086) 2.034 1.391 ( -1.689 -3.727 5.818) 7.113 1.492 ( -1.452 -2.550 -4.662) 5.509 1.636 ( -3.531 -2.850 0.584) 4.575 1.647 ( -3.025 -2.181 -0.559) 3.771 1.909 ( 0.145 0.870 2.262) 2.428 1.945 ( 0.658 1.534 -1.572) 2.293 2.085 ( -5.683 1.490 5.826) 8.274 2.103 ( -4.776 1.129 4.675) 6.778 2.177 ( -2.070 2.002 0.901) 3.018 2.194 ( -1.299 1.405 0.722) 2.046 2.400 ( 6.663 -0.600 1.917) 6.959 2.569 ( 1.190 -0.328 -11.695) 11.760 2.917 ( -6.735 0.074 3.235) 7.471 2.986 ( -3.079 -0.141 -4.514) 5.466 3.139 ( -1.438 0.888 1.119) 2.027 3.151 ( -2.587 0.586 -0.174) 2.658 3.862 ( 2.475 -0.119 3.206) 4.052 3.934 ( 2.879 -0.034 -4.537) 5.374 4.224 ( -0.861 -0.152 1.513) 1.748 4.254 ( -2.118 -0.290 -1.622) 2.683 4.412 ( -4.493 -0.231 3.512) 5.707 4.474 ( -6.405 -0.122 -2.324) 6.815 4.492 ( -1.648 -0.214 0.012) 1.662 4.510 ( -1.883 -0.255 -2.569) 3.196 4.656 ( 1.990 -0.058 6.201) 6.513 4.763 ( 2.504 -0.202 -5.328) 5.891 4.873 ( -0.103 -0.103 4.172) 4.175 4.976 ( -2.019 -0.289 -7.088) 7.376 5.416 ( 2.768 -0.335 10.860) 11.212 5.515 ( 0.509 -0.210 0.852) 1.014 5.609 ( 5.381 0.336 -2.381) 5.894 5.631 ( 3.317 -0.300 -4.086) 5.271 6.669 ( 0.754 -0.261 4.449) 4.520 6.743 ( 0.246 -0.542 -3.465) 3.516 ======================= Grid point 322 (100/129) ======================= q-point: (-0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.899 -0.009 1.804) 2.015 1.080 ( -0.724 0.439 -1.794) 1.984 1.320 ( -8.160 -5.010 5.588) 11.086 1.424 ( -7.018 -3.605 -5.198) 9.448 1.630 ( 0.600 -5.246 0.412) 5.296 1.644 ( 0.837 -4.433 -0.966) 4.613 1.855 ( -7.440 3.317 2.808) 8.616 1.869 ( -4.768 4.063 1.753) 6.505 1.970 ( -2.687 0.828 3.683) 4.634 2.017 ( -2.959 3.479 -0.768) 4.632 2.133 ( -1.650 1.004 3.147) 3.693 2.172 ( -0.547 0.111 -0.454) 0.720 2.524 ( 5.276 -0.536 1.653) 5.555 2.590 ( 0.264 0.152 -4.520) 4.530 2.702 ( -13.839 1.984 5.917) 15.181 2.837 ( -11.411 0.529 -7.844) 13.857 3.082 ( -3.586 0.597 -0.576) 3.680 3.087 ( -4.442 0.604 -0.398) 4.500 3.932 ( 3.920 0.063 3.821) 5.475 4.013 ( 4.540 0.147 -5.031) 6.778 4.203 ( -1.780 -0.083 0.195) 1.792 4.205 ( -1.767 -0.078 -0.057) 1.769 4.340 ( -3.015 -0.232 0.403) 3.050 4.353 ( -4.969 -0.091 -1.090) 5.088 4.462 ( -1.222 -0.289 0.488) 1.347 4.486 ( -0.577 -0.188 -1.955) 2.046 4.673 ( -0.103 -0.362 6.451) 6.461 4.788 ( -0.178 -0.516 -5.838) 5.864 4.858 ( -1.522 -0.413 2.904) 3.304 4.931 ( -2.593 -0.495 -4.932) 5.594 5.492 ( 4.006 -1.250 7.879) 8.927 5.540 ( 1.707 -0.630 1.850) 2.594 5.697 ( 4.532 -0.267 0.317) 4.551 5.764 ( 8.347 0.659 -5.438) 9.984 6.696 ( 1.713 -0.513 3.935) 4.322 6.758 ( 0.822 -1.037 -2.682) 2.990 ======================= Grid point 323 (101/129) ======================= q-point: (-0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -5.974 -1.124 0.795) 6.131 1.006 ( -7.773 -0.854 -0.870) 7.868 1.168 ( -6.725 -2.040 5.730) 9.067 1.280 ( -8.147 -1.361 -5.609) 9.984 1.650 ( -7.309 0.807 5.209) 9.012 1.672 ( -2.908 -1.559 0.681) 3.369 1.681 ( -1.742 -3.712 -0.643) 4.150 1.744 ( -3.732 0.985 -4.074) 5.613 1.923 ( -2.043 0.735 5.094) 5.537 1.952 ( -2.492 1.428 1.006) 3.043 2.098 ( -1.675 0.389 2.885) 3.359 2.153 ( -1.454 -0.526 -1.951) 2.489 2.368 ( -16.306 3.942 7.770) 18.488 2.498 ( -12.336 1.573 -4.068) 13.084 2.612 ( 2.487 -0.335 -0.484) 2.556 2.626 ( -5.686 -0.316 -2.218) 6.112 2.948 ( -8.188 0.582 0.989) 8.268 3.003 ( -3.356 1.393 -5.647) 6.715 3.982 ( 0.316 0.543 4.011) 4.060 4.067 ( -0.438 0.747 -5.210) 5.281 4.164 ( -1.599 0.254 1.407) 2.145 4.200 ( 0.273 0.040 -2.344) 2.360 4.275 ( -2.259 0.047 0.465) 2.307 4.295 ( -1.968 -0.274 -1.364) 2.410 4.442 ( -1.071 -0.133 2.152) 2.407 4.482 ( -0.249 0.025 -2.263) 2.277 4.681 ( 1.288 -0.393 4.619) 4.811 4.772 ( -1.119 -0.362 -4.869) 5.009 4.825 ( -1.750 -1.051 1.928) 2.808 4.885 ( -1.922 -0.703 -4.094) 4.577 5.567 ( 2.284 -2.008 4.638) 5.546 5.598 ( 3.329 -2.181 1.944) 4.429 5.802 ( 5.776 0.210 5.365) 7.886 5.931 ( 8.489 1.152 -7.514) 11.395 6.745 ( 2.882 -0.767 3.316) 4.460 6.788 ( 1.671 -1.283 -1.351) 2.502 ======================= Grid point 324 (102/129) ======================= q-point: (-0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -12.822 -0.071 3.378) 13.260 0.827 ( -10.047 0.347 -1.547) 10.171 1.079 ( -5.571 0.505 1.940) 5.921 1.122 ( -6.048 2.220 -1.915) 6.721 1.469 ( -7.884 3.511 2.468) 8.976 1.526 ( -7.853 5.436 -2.800) 9.953 1.675 ( -2.778 -4.503 2.813) 5.992 1.722 ( -3.696 -6.965 -2.871) 8.392 1.839 ( -8.205 -3.099 12.363) 15.158 1.911 ( -1.332 -1.312 3.407) 3.886 2.051 ( -3.869 -0.649 2.428) 4.613 2.100 ( -5.247 4.060 1.339) 6.768 2.128 ( -0.675 1.803 -2.077) 2.833 2.241 ( -8.699 0.144 -10.205) 13.411 2.501 ( -8.035 -0.104 3.837) 8.905 2.576 ( -7.541 -0.403 -4.095) 8.590 2.833 ( -0.490 1.436 6.173) 6.357 2.972 ( 1.597 2.371 -9.207) 9.641 3.938 ( -3.718 0.648 2.571) 4.567 3.989 ( -5.897 0.888 -2.883) 6.624 4.080 ( -7.129 0.122 1.434) 7.273 4.137 ( -6.759 0.076 -4.713) 8.240 4.283 ( 0.593 -0.484 0.207) 0.793 4.289 ( 2.158 -0.365 -0.468) 2.238 4.411 ( -2.399 0.277 2.355) 3.373 4.458 ( -2.357 0.397 -2.809) 3.689 4.722 ( 1.882 -0.335 1.994) 2.762 4.764 ( 0.402 0.140 -2.178) 2.219 4.821 ( 0.856 -1.075 1.940) 2.378 4.885 ( 2.076 -0.945 -4.432) 4.985 5.619 ( 1.944 -2.530 5.307) 6.193 5.678 ( 2.825 -4.044 -0.458) 4.954 5.915 ( 5.419 0.797 8.432) 10.054 6.078 ( 6.575 1.533 -9.143) 11.366 6.821 ( 4.202 -1.170 2.572) 5.064 6.839 ( 2.646 -1.199 0.529) 2.953 ======================= Grid point 325 (103/129) ======================= q-point: (-0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -9.169 5.680 5.846) 12.269 0.632 ( -7.168 2.740 -3.295) 8.351 0.881 ( -9.985 5.065 8.214) 13.887 1.049 ( -2.199 2.061 -8.537) 9.053 1.290 ( -8.420 2.138 5.446) 10.254 1.343 ( -6.701 1.049 -1.750) 7.005 1.634 ( -2.956 -2.637 5.151) 6.498 1.650 ( -4.866 -3.130 -0.486) 5.806 1.692 ( -5.322 -0.497 14.303) 15.269 1.912 ( 0.195 -3.257 2.699) 4.235 2.003 ( -1.323 -0.054 -5.111) 5.279 2.040 ( 0.242 -1.467 -3.839) 4.116 2.139 ( 2.420 0.399 -0.549) 2.513 2.187 ( 0.423 -0.202 -6.596) 6.613 2.332 ( -7.731 0.185 2.433) 8.107 2.388 ( -9.322 -0.290 -3.312) 9.897 2.884 ( 5.182 1.547 6.622) 8.550 3.028 ( 4.570 2.458 -9.432) 10.765 3.846 ( -7.464 0.237 0.614) 7.493 3.853 ( -4.379 0.266 0.174) 4.390 3.931 ( -6.380 -0.153 -0.774) 6.429 3.951 ( -10.443 -0.067 -3.859) 11.133 4.293 ( -0.549 -0.233 0.701) 0.920 4.309 ( -0.988 -0.302 -1.029) 1.458 4.351 ( -2.319 0.409 2.237) 3.248 4.404 ( -1.646 0.235 -3.591) 3.957 4.752 ( 0.965 -0.441 1.868) 2.148 4.780 ( 0.965 0.409 -1.284) 1.657 4.855 ( 1.697 -0.739 5.057) 5.385 4.957 ( 3.454 -0.597 -5.970) 6.923 5.670 ( 1.477 -3.274 6.369) 7.312 5.750 ( 1.946 -4.837 -1.827) 5.524 6.000 ( 3.381 0.830 8.604) 9.282 6.170 ( 3.397 1.676 -10.079) 10.767 6.898 ( 2.402 -1.051 2.812) 3.844 6.921 ( 4.572 -1.979 0.630) 5.021 ======================= Grid point 326 (104/129) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 0.000 9.758 8.333) 12.832 0.552 ( 0.000 3.470 -8.558) 9.235 0.723 ( 0.000 3.737 17.033) 17.438 1.010 ( 0.000 2.228 -14.272) 14.445 1.183 ( 0.000 1.190 10.453) 10.521 1.276 ( -0.000 -0.776 -2.424) 2.545 1.591 ( -0.000 -1.299 2.086) 2.458 1.617 ( -0.000 -1.679 -0.901) 1.905 1.650 ( 0.000 0.254 18.729) 18.730 1.938 ( -0.000 -3.362 2.086) 3.957 1.994 ( 0.000 1.006 -8.756) 8.814 2.069 ( -0.000 -3.044 -6.417) 7.103 2.195 ( -0.000 -0.718 0.597) 0.934 2.204 ( -0.000 -0.295 2.803) 2.819 2.235 ( 0.000 1.095 -3.943) 4.092 2.260 ( 0.000 0.004 -3.090) 3.090 2.961 ( 0.000 0.586 3.999) 4.042 3.079 ( 0.000 1.892 -8.948) 9.146 3.750 ( 0.000 0.059 0.237) 0.245 3.754 ( 0.000 0.062 -0.158) 0.170 3.844 ( 0.000 0.053 1.388) 1.389 3.869 ( 0.000 0.048 -1.251) 1.252 4.274 ( 0.000 0.054 0.614) 0.616 4.286 ( 0.000 0.048 -0.675) 0.677 4.334 ( 0.000 0.104 2.446) 2.448 4.394 ( -0.000 -0.066 -4.088) 4.089 4.764 ( -0.000 -0.447 1.797) 1.851 4.788 ( 0.000 0.590 -0.717) 0.928 4.879 ( -0.000 -0.599 6.290) 6.319 4.997 ( -0.000 -0.330 -6.653) 6.661 5.704 ( -0.000 -2.753 6.676) 7.222 5.797 ( -0.000 -4.362 -2.895) 5.235 6.033 ( 0.000 0.427 7.532) 7.544 6.196 ( 0.000 1.488 -10.098) 10.207 6.930 ( -0.000 -0.839 4.271) 4.352 6.991 ( -0.000 -2.427 -2.242) 3.304 ======================= Grid point 329 (105/129) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.261 0.000 1.141) 1.171 1.069 ( 0.075 0.000 -1.216) 1.218 1.444 ( 9.004 0.000 3.586) 9.692 1.512 ( 7.447 0.000 -3.097) 8.065 1.748 ( 4.770 0.000 2.213) 5.258 1.773 ( 0.227 0.000 0.364) 0.429 1.773 ( 8.155 0.000 -0.637) 8.180 1.779 ( -5.670 -0.000 -0.387) 5.683 1.903 ( 4.403 0.000 2.447) 5.037 1.936 ( 2.820 0.000 -1.707) 3.297 2.111 ( 1.781 0.000 5.980) 6.239 2.168 ( -0.695 -0.000 0.146) 0.710 2.535 ( -5.097 -0.000 1.906) 5.441 2.584 ( 0.608 0.000 -3.205) 3.263 2.662 ( 15.859 0.000 6.979) 17.326 2.828 ( 11.622 0.000 -9.416) 14.958 3.071 ( 3.895 0.000 -0.565) 3.936 3.074 ( 4.209 0.000 -0.338) 4.222 3.930 ( -3.530 -0.000 3.780) 5.172 4.011 ( -4.175 -0.000 -4.897) 6.435 4.205 ( 1.174 0.000 0.056) 1.175 4.205 ( 2.993 0.000 0.079) 2.995 4.346 ( 2.866 0.000 0.147) 2.870 4.354 ( 5.281 0.000 -0.931) 5.363 4.469 ( 1.292 0.000 0.269) 1.320 4.489 ( 0.676 0.000 -1.798) 1.921 4.681 ( -0.206 -0.000 6.681) 6.684 4.795 ( 0.053 0.000 -5.209) 5.210 4.869 ( 1.080 0.000 2.453) 2.680 4.940 ( 2.465 0.000 -5.026) 5.598 5.519 ( -5.666 -0.000 8.079) 9.868 5.550 ( -1.967 -0.000 3.050) 3.629 5.709 ( -4.170 -0.000 -2.699) 4.967 5.745 ( -8.031 -0.000 -4.768) 9.340 6.707 ( -1.982 -0.000 4.682) 5.084 6.778 ( -1.226 -0.000 -2.961) 3.205 ======================= Grid point 330 (106/129) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.836 -0.100 1.204) 1.469 1.057 ( -0.975 -0.100 -1.156) 1.516 1.502 ( -2.760 1.422 3.842) 4.940 1.565 ( -1.650 0.889 -2.415) 3.057 1.709 ( -0.395 0.771 0.404) 0.956 1.715 ( 0.129 0.895 -0.242) 0.936 1.884 ( 1.892 -0.118 0.283) 1.916 1.890 ( 2.023 -1.080 -0.435) 2.334 2.030 ( 8.686 -0.881 2.907) 9.201 2.038 ( 6.968 -0.864 1.486) 7.177 2.151 ( -0.077 -0.089 2.945) 2.948 2.169 ( 3.755 -0.157 3.789) 5.337 2.415 ( -6.653 0.156 2.779) 7.211 2.576 ( -0.938 0.061 -10.435) 10.477 2.912 ( 8.198 -0.101 3.377) 8.867 2.990 ( 3.615 0.046 -5.308) 6.422 3.117 ( 0.967 -0.231 1.627) 1.907 3.137 ( 3.254 -0.128 -0.524) 3.298 3.865 ( -2.488 0.027 3.191) 4.047 3.934 ( -2.859 0.002 -4.282) 5.149 4.228 ( 0.798 0.042 1.637) 1.822 4.262 ( 2.035 0.082 -1.874) 2.768 4.418 ( 4.460 0.062 3.590) 5.726 4.478 ( 6.307 0.040 -2.140) 6.661 4.497 ( 1.297 0.064 0.011) 1.299 4.516 ( 2.010 0.047 -2.766) 3.420 4.657 ( -2.331 0.008 6.338) 6.753 4.766 ( -2.875 0.022 -5.406) 6.123 4.877 ( -0.188 0.052 4.329) 4.334 4.984 ( 1.730 0.082 -7.315) 7.517 5.424 ( -3.410 0.084 11.102) 11.614 5.520 ( -0.863 0.046 2.008) 2.186 5.604 ( -5.709 -0.036 -2.788) 6.354 5.637 ( -2.854 0.049 -5.314) 6.032 6.676 ( -1.099 0.079 4.965) 5.085 6.757 ( -0.890 0.140 -3.676) 3.785 ======================= Grid point 331 (107/129) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 1.023 0.186 0.605) 1.203 1.045 ( 0.111 -0.102 -0.533) 0.554 1.416 ( -3.793 0.435 5.555) 6.740 1.509 ( -2.533 0.213 -4.154) 4.871 1.683 ( -2.899 -0.541 1.090) 3.145 1.696 ( -2.745 -0.246 -0.505) 2.802 1.900 ( 0.713 -0.094 1.071) 1.290 1.921 ( 1.858 -0.025 -1.154) 2.187 2.110 ( 0.418 -0.094 7.820) 7.832 2.192 ( 4.661 -0.035 1.901) 5.034 2.203 ( 3.193 0.311 -0.327) 3.225 2.252 ( 3.514 -0.004 11.445) 11.972 2.272 ( -5.479 0.180 -4.526) 7.109 2.557 ( -0.579 0.019 -14.489) 14.500 2.980 ( -0.612 -0.280 0.844) 1.079 3.007 ( -0.347 0.068 -2.307) 2.334 3.146 ( 1.419 -0.009 2.904) 3.233 3.184 ( 0.625 0.098 -1.239) 1.392 3.838 ( -0.152 -0.007 2.988) 2.991 3.905 ( -0.040 -0.010 -4.260) 4.260 4.234 ( -0.188 0.003 2.053) 2.061 4.277 ( -0.363 0.012 -2.608) 2.633 4.489 ( -0.803 0.007 4.033) 4.113 4.501 ( 0.178 0.017 1.793) 1.802 4.529 ( -0.123 -0.030 -1.402) 1.408 4.573 ( -0.459 0.024 -5.259) 5.279 4.617 ( 0.155 -0.019 5.577) 5.579 4.714 ( 0.031 -0.027 -4.623) 4.623 4.871 ( -0.068 0.013 5.183) 5.183 5.000 ( -0.307 0.002 -8.846) 8.851 5.388 ( -0.227 -0.006 11.724) 11.726 5.521 ( -0.354 -0.014 3.159) 3.179 5.535 ( 0.539 0.026 -3.613) 3.653 5.603 ( -0.341 0.008 -5.387) 5.398 6.663 ( -0.251 0.000 4.777) 4.783 6.742 ( -0.497 -0.001 -3.776) 3.808 ======================= Grid point 332 (108/129) ======================= q-point: (-0.58 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.633 0.425 1.272) 1.483 1.074 ( 1.928 0.475 -1.057) 2.249 1.357 ( -3.256 -2.559 6.378) 7.604 1.469 ( -2.525 -1.773 -5.265) 6.102 1.610 ( -4.074 -2.018 0.893) 4.633 1.627 ( -3.589 -1.527 -0.941) 4.012 1.917 ( 0.686 0.591 2.687) 2.836 1.959 ( 1.377 0.989 -1.788) 2.464 2.098 ( -5.154 0.893 6.615) 8.433 2.109 ( -4.356 0.173 5.941) 7.368 2.198 ( -2.338 1.907 0.022) 3.017 2.209 ( -1.205 1.196 0.042) 1.698 2.394 ( 6.714 -0.459 1.552) 6.907 2.566 ( 1.239 -0.267 -12.159) 12.224 2.917 ( -6.058 0.002 3.193) 6.848 2.984 ( -2.914 -0.126 -4.400) 5.279 3.148 ( -1.428 0.753 0.972) 1.884 3.157 ( -2.515 0.364 0.051) 2.542 3.861 ( 2.471 -0.091 3.207) 4.049 3.934 ( 2.888 -0.033 -4.627) 5.454 4.223 ( -0.886 -0.110 1.471) 1.720 4.252 ( -2.161 -0.208 -1.533) 2.658 4.410 ( -4.500 -0.168 3.481) 5.692 4.473 ( -6.511 -0.083 -2.512) 6.980 4.490 ( -1.681 -0.148 0.141) 1.694 4.508 ( -1.888 -0.209 -2.503) 3.142 4.655 ( 1.875 -0.050 6.133) 6.413 4.761 ( 2.318 -0.183 -5.236) 5.730 4.872 ( -0.172 -0.049 4.059) 4.063 4.973 ( -2.120 -0.205 -6.991) 7.308 5.413 ( 2.533 -0.251 10.776) 11.073 5.513 ( 0.362 -0.161 0.453) 0.602 5.613 ( 5.413 0.398 -2.385) 5.928 5.628 ( 3.346 -0.352 -3.513) 4.864 6.667 ( 0.649 -0.181 4.241) 4.294 6.738 ( -0.001 -0.403 -3.371) 3.395 ======================= Grid point 333 (109/129) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -1.409 -0.041 2.028) 2.470 1.084 ( -1.220 0.295 -2.002) 2.363 1.273 ( -7.143 -3.832 6.445) 10.356 1.390 ( -6.453 -2.792 -5.774) 9.098 1.581 ( -0.625 -3.882 0.616) 3.980 1.602 ( -0.264 -3.357 -1.457) 3.669 1.884 ( -6.024 2.165 3.602) 7.345 1.910 ( -4.226 3.518 2.882) 6.208 1.975 ( -2.716 0.105 4.099) 4.918 2.050 ( -3.037 2.775 -1.646) 4.431 2.143 ( -2.072 0.792 2.330) 3.217 2.171 ( -1.592 -0.139 -0.488) 1.671 2.518 ( 5.356 -0.453 1.459) 5.569 2.591 ( 0.620 0.037 -5.198) 5.235 2.722 ( -12.841 1.734 5.433) 14.050 2.843 ( -11.201 0.524 -6.995) 13.216 3.089 ( -3.451 0.526 -0.609) 3.544 3.093 ( -4.602 0.506 -0.423) 4.649 3.932 ( 4.115 0.049 3.843) 5.631 4.015 ( 4.746 0.132 -5.113) 6.978 4.202 ( -1.679 -0.049 0.181) 1.690 4.204 ( -1.562 -0.103 -0.043) 1.566 4.338 ( -2.936 -0.158 0.492) 2.981 4.352 ( -4.956 -0.110 -1.119) 5.082 4.460 ( -1.185 -0.212 0.526) 1.314 4.484 ( -0.498 -0.212 -1.986) 2.058 4.670 ( -0.232 -0.305 6.291) 6.303 4.782 ( -0.362 -0.611 -5.796) 5.839 4.855 ( -1.693 -0.254 2.838) 3.314 4.926 ( -2.712 -0.443 -4.869) 5.591 5.480 ( 3.366 -1.062 7.941) 8.690 5.533 ( 1.393 -0.591 1.289) 1.988 5.695 ( 4.648 -0.095 1.344) 4.839 5.770 ( 8.583 0.475 -5.503) 10.206 6.691 ( 1.626 -0.387 3.491) 3.870 6.747 ( 0.604 -0.929 -2.479) 2.715 ======================= Grid point 334 (110/129) ======================= q-point: (-0.42 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -6.978 -1.455 1.334) 7.252 1.000 ( -7.268 -0.359 -1.326) 7.397 1.153 ( -4.697 -0.883 6.138) 7.779 1.268 ( -6.229 -0.805 -5.715) 8.492 1.592 ( -1.864 -6.733 1.714) 7.193 1.622 ( -0.723 -5.533 -1.451) 5.766 1.711 ( -7.512 3.821 5.265) 9.937 1.785 ( -6.286 4.961 -3.010) 8.554 1.930 ( -2.278 0.550 4.695) 5.248 1.965 ( -4.577 1.203 0.790) 4.798 2.099 ( -2.264 -0.101 2.402) 3.302 2.146 ( -1.167 -0.740 -1.646) 2.150 2.408 ( -15.498 3.548 6.369) 17.127 2.515 ( -12.174 1.527 -3.394) 12.730 2.608 ( 2.471 -0.406 -0.469) 2.548 2.622 ( -5.846 -0.397 -2.161) 6.245 2.954 ( -7.922 0.634 1.420) 8.073 3.017 ( -2.738 1.301 -5.931) 6.661 3.988 ( 0.560 0.534 4.145) 4.216 4.076 ( -0.029 0.793 -5.344) 5.403 4.166 ( -1.509 0.272 1.329) 2.029 4.200 ( 0.320 0.040 -2.179) 2.203 4.276 ( -2.287 0.046 0.328) 2.311 4.292 ( -2.136 -0.291 -1.161) 2.448 4.441 ( -0.895 -0.072 2.218) 2.393 4.483 ( -0.079 0.035 -2.322) 2.323 4.677 ( 1.515 -0.269 4.351) 4.615 4.767 ( -0.952 -0.762 -5.368) 5.504 4.814 ( -2.203 -0.865 2.537) 3.470 4.876 ( -2.203 -0.892 -4.088) 4.728 5.543 ( 1.909 -2.320 5.332) 6.121 5.577 ( 2.312 -1.729 1.622) 3.311 5.805 ( 6.135 0.308 6.345) 8.831 5.943 ( 8.718 0.999 -7.809) 11.746 6.737 ( 2.766 -0.613 2.761) 3.955 6.774 ( 1.584 -1.325 -1.141) 2.359 ======================= Grid point 335 (111/129) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -9.987 1.444 2.941) 10.510 0.832 ( -8.906 0.592 -1.841) 9.114 1.086 ( -3.297 1.055 3.395) 4.849 1.148 ( -5.112 2.648 -2.237) 6.177 1.502 ( -8.329 1.664 5.011) 9.862 1.587 ( -7.028 5.390 -1.633) 9.006 1.619 ( -2.113 -4.973 -0.918) 5.481 1.645 ( -4.855 -6.686 -3.577) 9.004 1.820 ( -7.973 -0.571 11.663) 14.139 1.895 ( -2.709 -1.679 2.093) 3.813 2.042 ( -4.399 -0.995 4.041) 6.056 2.132 ( -3.275 1.670 1.959) 4.165 2.149 ( -3.344 2.519 -2.569) 4.912 2.244 ( -10.318 0.380 -9.218) 13.842 2.499 ( -7.899 -0.179 3.434) 8.615 2.571 ( -7.593 -0.556 -4.061) 8.628 2.850 ( 0.051 1.657 7.042) 7.234 2.999 ( 2.089 2.544 -9.269) 9.837 3.945 ( -3.779 0.746 2.758) 4.737 4.000 ( -6.027 1.111 -2.999) 6.823 4.082 ( -7.360 0.118 1.424) 7.497 4.137 ( -7.018 -0.020 -4.555) 8.366 4.278 ( 0.603 -0.534 0.177) 0.825 4.285 ( 1.913 -0.472 -0.599) 2.059 4.415 ( -2.133 0.410 2.436) 3.264 4.463 ( -2.090 0.566 -2.882) 3.605 4.719 ( 1.647 -0.234 2.374) 2.899 4.767 ( 0.693 0.435 -2.473) 2.605 4.806 ( 1.101 -1.697 2.224) 3.006 4.872 ( 1.869 -1.514 -4.411) 5.025 5.586 ( 0.996 -3.629 5.992) 7.075 5.638 ( 2.358 -3.235 0.677) 4.060 5.923 ( 5.647 0.841 8.849) 10.531 6.094 ( 6.741 1.478 -9.611) 11.832 6.809 ( 3.917 -1.036 2.233) 4.627 6.825 ( 2.713 -1.308 0.450) 3.046 ======================= Grid point 336 (112/129) ======================= q-point: (-0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -4.548 7.741 3.878) 9.780 0.666 ( -5.604 3.563 -1.941) 6.919 0.942 ( -8.538 6.143 7.156) 12.722 1.076 ( -1.235 3.139 -6.127) 6.994 1.317 ( -8.018 2.693 4.258) 9.470 1.362 ( -9.519 2.671 -0.749) 9.915 1.596 ( -2.921 -4.401 1.549) 5.504 1.607 ( -3.120 -4.747 -0.717) 5.726 1.690 ( -4.249 -0.027 16.352) 16.895 1.872 ( -0.838 -4.154 0.927) 4.338 1.979 ( -1.666 -3.691 -0.868) 4.141 2.045 ( -1.814 1.597 -6.414) 6.854 2.141 ( 1.411 0.182 -0.593) 1.541 2.184 ( 0.880 -0.376 -5.722) 5.801 2.334 ( -7.553 0.122 1.801) 7.766 2.384 ( -9.265 -0.430 -3.221) 9.818 2.904 ( 5.011 2.025 7.669) 9.382 3.058 ( 4.626 3.064 -9.370) 10.890 3.849 ( -7.729 0.316 0.683) 7.766 3.857 ( -4.755 0.368 0.212) 4.774 3.929 ( -6.760 -0.181 -0.768) 6.806 3.950 ( -9.892 -0.235 -3.543) 10.510 4.290 ( -0.295 -0.280 0.583) 0.711 4.306 ( -0.663 -0.384 -1.047) 1.298 4.357 ( -2.435 0.555 2.166) 3.306 4.407 ( -1.945 0.486 -3.576) 4.099 4.748 ( 1.071 -0.322 2.803) 3.018 4.784 ( 1.066 0.349 -1.357) 1.761 4.844 ( 1.585 -1.161 5.016) 5.387 4.948 ( 3.561 -1.126 -5.930) 7.008 5.624 ( 0.485 -5.239 7.667) 9.298 5.700 ( 1.782 -4.177 -0.248) 4.548 6.011 ( 3.359 1.059 9.036) 9.698 6.189 ( 3.456 1.718 -10.668) 11.344 6.886 ( 2.444 -1.133 2.221) 3.491 6.900 ( 3.914 -1.953 1.067) 4.503 ======================= Grid point 337 (113/129) ======================= q-point: (-0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 0.000 12.853 3.707) 13.377 0.600 ( 0.000 5.312 -5.140) 7.392 0.778 ( 0.000 6.521 15.486) 16.803 1.043 ( 0.000 4.092 -13.334) 13.948 1.202 ( 0.000 2.584 8.980) 9.345 1.267 ( -0.000 -0.801 -0.734) 1.086 1.571 ( -0.000 -2.526 1.651) 3.018 1.591 ( -0.000 -3.195 -0.695) 3.270 1.653 ( 0.000 0.324 18.451) 18.454 1.894 ( -0.000 -4.976 0.717) 5.027 1.990 ( -0.000 -2.774 -4.269) 5.091 2.041 ( -0.000 -1.156 -10.643) 10.706 2.185 ( -0.000 -0.910 1.463) 1.723 2.200 ( -0.000 -0.497 3.089) 3.128 2.246 ( 0.000 0.858 -4.548) 4.628 2.260 ( -0.000 -0.006 -3.268) 3.268 2.971 ( 0.000 1.166 5.511) 5.633 3.105 ( 0.000 2.845 -9.101) 9.536 3.751 ( 0.000 0.103 0.232) 0.254 3.755 ( 0.000 0.108 -0.168) 0.200 3.845 ( 0.000 0.092 1.382) 1.385 3.870 ( 0.000 0.082 -1.249) 1.251 4.275 ( 0.000 0.094 0.595) 0.603 4.287 ( 0.000 0.084 -0.685) 0.690 4.336 ( 0.000 0.222 2.315) 2.326 4.393 ( -0.000 -0.002 -4.044) 4.044 4.760 ( -0.000 -0.262 2.556) 2.570 4.794 ( 0.000 0.530 -1.348) 1.449 4.869 ( -0.000 -1.152 6.878) 6.974 4.992 ( -0.000 -0.756 -6.516) 6.559 5.660 ( -0.000 -5.549 7.854) 9.616 5.744 ( -0.000 -4.903 -0.820) 4.971 6.040 ( 0.000 0.915 8.431) 8.481 6.214 ( 0.000 1.811 -10.867) 11.017 6.919 ( -0.000 -1.148 3.502) 3.686 6.961 ( -0.000 -2.967 -0.733) 3.057 ======================= Grid point 342 (114/129) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 1.294 0.000 0.511) 1.391 1.045 ( 0.022 0.000 -0.430) 0.431 1.418 ( -4.416 -0.000 5.493) 7.048 1.510 ( -2.948 -0.000 -4.069) 5.025 1.680 ( -3.322 -0.000 1.138) 3.512 1.695 ( -3.109 -0.000 -0.644) 3.175 1.900 ( 0.859 0.000 1.111) 1.405 1.921 ( 2.124 0.000 -1.158) 2.419 2.110 ( 0.480 0.000 7.835) 7.850 2.191 ( 5.239 0.000 2.362) 5.747 2.205 ( 3.733 0.000 -0.397) 3.754 2.252 ( 3.805 0.000 9.820) 10.531 2.273 ( -6.021 -0.000 -3.285) 6.859 2.557 ( -0.666 -0.000 -14.471) 14.486 2.979 ( -0.652 -0.000 0.903) 1.114 3.008 ( -0.458 -0.000 -2.503) 2.544 3.146 ( 1.650 0.000 3.015) 3.437 3.185 ( 0.714 0.000 -1.233) 1.425 3.838 ( -0.175 -0.000 2.986) 2.992 3.905 ( -0.046 -0.000 -4.260) 4.260 4.234 ( -0.217 -0.000 2.056) 2.067 4.277 ( -0.419 -0.000 -2.611) 2.644 4.489 ( -0.926 -0.000 4.023) 4.128 4.501 ( 0.203 0.000 1.801) 1.812 4.528 ( -0.142 -0.000 -1.402) 1.409 4.573 ( -0.529 -0.000 -5.260) 5.287 4.617 ( 0.179 0.000 5.577) 5.580 4.714 ( 0.036 0.000 -4.620) 4.620 4.871 ( -0.079 -0.000 5.179) 5.180 5.000 ( -0.354 -0.000 -8.842) 8.849 5.388 ( -0.262 -0.000 11.724) 11.727 5.521 ( -0.402 -0.000 3.079) 3.105 5.535 ( 0.615 0.000 -3.536) 3.589 5.603 ( -0.394 -0.000 -5.384) 5.398 6.663 ( -0.289 -0.000 4.776) 4.785 6.742 ( -0.574 -0.000 -3.775) 3.819 ======================= Grid point 343 (115/129) ======================= q-point: (-0.67 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.587 0.165 1.316) 1.451 1.077 ( 2.109 0.202 -1.058) 2.369 1.338 ( -4.197 -0.917 6.685) 7.946 1.456 ( -3.140 -0.637 -5.587) 6.441 1.595 ( -4.292 -0.726 1.073) 4.484 1.616 ( -3.828 -0.547 -1.164) 4.039 1.922 ( 0.972 0.210 2.906) 3.071 1.966 ( 1.769 0.341 -1.898) 2.617 2.105 ( -4.754 0.488 6.829) 8.335 2.108 ( -4.353 -0.217 6.547) 7.865 2.213 ( -2.347 0.832 -0.262) 2.504 2.217 ( -1.331 0.381 -0.178) 1.396 2.390 ( 6.770 -0.174 1.328) 6.901 2.564 ( 1.256 -0.103 -12.430) 12.494 2.917 ( -5.650 -0.008 3.163) 6.475 2.983 ( -2.803 -0.053 -4.351) 5.176 3.154 ( -1.161 0.369 0.794) 1.454 3.159 ( -2.737 0.047 0.289) 2.753 3.861 ( 2.468 -0.034 3.207) 4.047 3.933 ( 2.893 -0.014 -4.678) 5.501 4.222 ( -0.901 -0.040 1.447) 1.705 4.250 ( -2.190 -0.076 -1.482) 2.645 4.409 ( -4.503 -0.061 3.463) 5.681 4.472 ( -6.590 -0.029 -2.654) 7.105 4.489 ( -1.676 -0.052 0.254) 1.696 4.506 ( -1.905 -0.082 -2.469) 3.120 4.655 ( 1.812 -0.020 6.088) 6.352 4.759 ( 2.199 -0.075 -5.168) 5.617 4.872 ( -0.202 -0.012 3.980) 3.985 4.972 ( -2.178 -0.074 -6.932) 7.266 5.411 ( 2.398 -0.093 10.729) 10.994 5.512 ( 0.275 -0.060 0.230) 0.363 5.617 ( 5.986 0.308 -2.549) 6.514 5.624 ( 2.810 -0.288 -3.029) 4.142 6.666 ( 0.595 -0.064 4.115) 4.158 6.735 ( -0.148 -0.149 -3.312) 3.319 ======================= Grid point 344 (116/129) ======================= q-point: (-0.58 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -1.927 -0.058 2.180) 2.910 1.086 ( -1.687 0.134 -2.142) 2.730 1.241 ( -6.144 -2.043 7.037) 9.562 1.367 ( -5.989 -1.517 -6.076) 8.666 1.549 ( -1.375 -2.041 0.701) 2.559 1.575 ( -1.061 -1.795 -1.740) 2.716 1.901 ( -5.479 1.044 4.348) 7.072 1.942 ( -3.516 2.455 4.201) 6.003 1.973 ( -2.685 -0.543 3.528) 4.466 2.074 ( -2.578 1.684 -2.528) 3.984 2.150 ( -2.508 0.448 1.793) 3.115 2.169 ( -2.811 -0.312 -0.193) 2.835 2.514 ( 5.410 -0.257 1.295) 5.569 2.591 ( 0.850 -0.016 -5.696) 5.759 2.737 ( -12.117 1.010 5.091) 13.182 2.847 ( -11.007 0.329 -6.357) 12.715 3.093 ( -3.298 0.309 -0.652) 3.376 3.097 ( -4.803 0.281 -0.432) 4.831 3.933 ( 4.258 0.026 3.861) 5.748 4.016 ( 4.911 0.079 -5.182) 7.140 4.202 ( -1.679 0.002 0.137) 1.684 4.203 ( -1.341 -0.095 0.001) 1.344 4.337 ( -2.843 -0.071 0.545) 2.896 4.351 ( -4.980 -0.077 -1.119) 5.104 4.458 ( -1.157 -0.103 0.520) 1.273 4.482 ( -0.429 -0.148 -1.989) 2.040 4.667 ( -0.314 -0.172 6.153) 6.164 4.776 ( -0.570 -0.426 -5.586) 5.631 4.853 ( -1.777 -0.101 2.644) 3.187 4.922 ( -2.826 -0.263 -4.814) 5.588 5.471 ( 2.916 -0.608 8.019) 8.554 5.528 ( 1.161 -0.351 0.924) 1.524 5.695 ( 4.731 -0.015 1.975) 5.127 5.774 ( 8.751 0.247 -5.513) 10.345 6.688 ( 1.590 -0.193 3.126) 3.513 6.739 ( 0.429 -0.555 -2.292) 2.397 ======================= Grid point 345 (117/129) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -6.809 -0.886 1.805) 7.100 0.997 ( -7.016 -0.255 -1.915) 7.277 1.149 ( -3.002 0.057 6.384) 7.055 1.262 ( -4.715 -0.473 -5.249) 7.071 1.530 ( -2.833 -4.816 1.482) 5.780 1.570 ( -1.448 -4.193 -2.485) 5.084 1.743 ( -7.378 2.210 7.684) 10.879 1.835 ( -6.115 4.183 -2.863) 7.943 1.932 ( -2.241 -0.289 4.207) 4.776 1.981 ( -5.871 1.693 -0.391) 6.123 2.096 ( -3.032 -0.507 2.367) 3.880 2.138 ( -0.641 -0.775 -1.242) 1.598 2.441 ( -15.216 2.461 5.415) 16.337 2.529 ( -11.939 1.132 -2.818) 12.319 2.604 ( 2.447 -0.384 -0.485) 2.524 2.618 ( -6.119 -0.366 -2.138) 6.493 2.960 ( -7.678 0.485 1.753) 7.891 3.029 ( -2.223 0.905 -6.131) 6.584 3.993 ( 0.770 0.387 4.272) 4.358 4.083 ( 0.355 0.617 -5.501) 5.547 4.169 ( -1.422 0.212 1.241) 1.899 4.200 ( 0.366 0.029 -2.035) 2.068 4.276 ( -2.357 0.036 0.197) 2.365 4.289 ( -2.280 -0.229 -0.973) 2.490 4.441 ( -0.719 -0.007 2.240) 2.353 4.483 ( 0.102 0.032 -2.355) 2.358 4.676 ( 1.880 -0.069 4.044) 4.460 4.757 ( -1.108 -1.030 -4.717) 4.954 4.808 ( -2.430 -0.336 2.121) 3.243 4.867 ( -2.595 -0.809 -4.064) 4.889 5.521 ( 1.343 -1.801 6.155) 6.553 5.562 ( 1.818 -1.063 1.236) 2.442 5.808 ( 6.376 0.255 6.965) 9.446 5.952 ( 8.903 0.665 -7.990) 11.981 6.732 ( 2.731 -0.309 2.162) 3.497 6.762 ( 1.501 -1.042 -0.837) 2.010 ======================= Grid point 346 (118/129) ======================= q-point: (-0.42 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -7.090 2.277 1.696) 7.637 0.839 ( -7.788 0.654 -1.547) 7.967 1.104 ( -1.734 2.368 4.724) 5.561 1.176 ( -3.372 2.668 -2.006) 4.745 1.477 ( -6.095 -5.953 4.582) 9.674 1.557 ( -2.699 -6.719 -2.821) 7.770 1.607 ( -4.707 1.249 2.921) 5.679 1.656 ( -9.337 5.477 -4.094) 11.573 1.824 ( -8.193 1.170 7.750) 11.338 1.875 ( -3.885 -1.990 1.170) 4.519 2.029 ( -5.134 -1.450 6.062) 8.075 2.141 ( 0.027 0.342 0.043) 0.346 2.176 ( -6.868 2.222 -0.847) 7.268 2.249 ( -11.629 0.457 -8.112) 14.186 2.497 ( -7.751 -0.170 2.991) 8.310 2.565 ( -7.611 -0.590 -4.010) 8.623 2.867 ( 0.503 1.411 7.805) 7.947 3.024 ( 2.535 2.068 -9.302) 9.861 3.953 ( -3.826 0.650 2.969) 4.886 4.012 ( -6.160 1.072 -3.176) 7.013 4.083 ( -7.590 0.083 1.332) 7.707 4.136 ( -7.432 -0.150 -4.346) 8.611 4.272 ( 0.652 -0.442 0.118) 0.797 4.280 ( 1.711 -0.443 -0.697) 1.900 4.419 ( -1.878 0.449 2.508) 3.165 4.469 ( -1.773 0.592 -2.964) 3.504 4.717 ( 1.158 -0.014 3.037) 3.251 4.773 ( 1.512 0.677 -2.917) 3.355 4.786 ( 1.136 -1.830 2.616) 3.389 4.854 ( 1.542 -1.882 -4.500) 5.115 5.548 ( 0.140 -3.412 7.544) 8.281 5.610 ( 2.167 -1.977 0.582) 2.990 5.932 ( 5.820 0.670 9.197) 10.904 6.108 ( 6.844 1.117 -9.914) 12.099 6.800 ( 3.728 -0.624 1.790) 4.182 6.812 ( 2.881 -1.111 0.493) 3.127 ======================= Grid point 347 (119/129) ======================= q-point: (-0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -1.906 5.849 1.544) 6.343 0.708 ( -3.417 5.062 -0.669) 6.144 1.006 ( -6.492 5.905 6.917) 11.174 1.117 ( -0.408 4.704 -3.588) 5.930 1.340 ( -6.847 1.126 3.962) 7.991 1.395 ( -11.522 2.977 -0.441) 11.909 1.546 ( -2.160 -4.576 0.185) 5.063 1.558 ( -2.307 -3.800 -0.877) 4.531 1.690 ( -4.145 -0.029 14.913) 15.479 1.826 ( -2.243 -4.592 0.129) 5.113 1.937 ( -3.363 -4.109 0.940) 5.392 2.063 ( -2.720 1.564 -7.641) 8.260 2.144 ( 0.838 0.298 -0.100) 0.895 2.180 ( 1.132 -0.467 -4.399) 4.566 2.335 ( -7.413 0.051 1.189) 7.508 2.379 ( -9.173 -0.478 -3.141) 9.708 2.925 ( 4.828 1.902 8.777) 10.197 3.090 ( 4.619 2.797 -9.283) 10.739 3.852 ( -8.083 0.315 0.760) 8.124 3.861 ( -5.200 0.372 0.258) 5.220 3.927 ( -7.287 -0.140 -0.857) 7.339 3.946 ( -9.035 -0.417 -3.070) 9.552 4.287 ( -0.042 -0.239 0.442) 0.504 4.301 ( -0.305 -0.365 -1.074) 1.175 4.363 ( -2.558 0.594 2.193) 3.422 4.414 ( -2.247 0.666 -3.627) 4.318 4.745 ( 1.285 -0.279 4.309) 4.505 4.787 ( 0.895 0.106 -0.585) 1.074 4.832 ( 1.634 -0.975 3.754) 4.209 4.934 ( 3.735 -1.569 -6.057) 7.286 5.568 ( -0.251 -5.062 9.932) 11.151 5.664 ( 1.701 -2.814 -0.451) 3.319 6.022 ( 3.383 0.961 9.386) 10.023 6.205 ( 3.432 1.355 -10.934) 11.540 6.875 ( 2.575 -0.794 1.617) 3.143 6.882 ( 3.503 -1.380 1.287) 3.979 ======================= Grid point 348 (120/129) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 0.000 9.081 0.692) 9.107 0.662 ( 0.000 7.594 -2.134) 7.888 0.856 ( 0.000 7.863 13.682) 15.781 1.094 ( 0.000 5.301 -12.064) 13.177 1.237 ( 0.000 3.701 7.448) 8.317 1.265 ( 0.000 0.906 1.498) 1.751 1.538 ( -0.000 -3.587 1.029) 3.732 1.551 ( -0.000 -4.303 -0.429) 4.324 1.655 ( -0.000 -0.134 17.451) 17.452 1.835 ( -0.000 -6.017 0.415) 6.031 1.941 ( -0.000 -5.664 -2.832) 6.333 2.043 ( 0.000 0.820 -13.111) 13.137 2.177 ( -0.000 -0.494 2.604) 2.650 2.194 ( -0.000 -0.557 3.465) 3.509 2.252 ( 0.000 0.319 -4.787) 4.797 2.260 ( -0.000 -0.022 -3.495) 3.495 2.985 ( 0.000 1.398 7.288) 7.421 3.135 ( 0.000 2.813 -9.088) 9.513 3.752 ( 0.000 0.120 0.225) 0.255 3.756 ( 0.000 0.125 -0.182) 0.221 3.846 ( 0.000 0.107 1.373) 1.378 3.871 ( 0.000 0.094 -1.245) 1.248 4.276 ( 0.000 0.109 0.570) 0.580 4.288 ( 0.000 0.096 -0.697) 0.704 4.339 ( 0.000 0.326 2.192) 2.216 4.394 ( 0.000 0.178 -4.029) 4.033 4.759 ( -0.000 -0.028 3.537) 3.537 4.798 ( 0.000 0.138 -1.111) 1.119 4.856 ( -0.000 -1.198 6.638) 6.745 4.981 ( -0.000 -1.220 -6.546) 6.658 5.595 ( -0.000 -6.167 10.417) 12.105 5.700 ( -0.000 -3.562 -0.756) 3.641 6.051 ( 0.000 1.044 9.017) 9.077 6.232 ( 0.000 1.512 -11.177) 11.279 6.908 ( -0.000 -0.877 2.603) 2.747 6.933 ( -0.000 -2.212 0.264) 2.227 ======================= Grid point 355 (121/129) ======================= q-point: (-0.67 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -2.158 -0.000 2.238) 3.109 1.087 ( -1.885 -0.000 -2.194) 2.892 1.230 ( -5.711 -0.000 7.243) 9.224 1.359 ( -5.815 -0.000 -6.162) 8.473 1.539 ( -1.617 -0.000 0.717) 1.769 1.565 ( -1.356 -0.000 -1.831) 2.278 1.906 ( -5.370 -0.000 4.637) 7.095 1.960 ( -3.329 -0.000 10.325) 10.848 1.965 ( -2.538 -0.000 -2.370) 3.472 2.084 ( -2.187 -0.000 -2.972) 3.691 2.152 ( -2.636 -0.000 1.596) 3.082 2.167 ( -3.509 -0.000 0.057) 3.510 2.513 ( 5.430 0.000 1.230) 5.567 2.590 ( 0.928 0.000 -5.877) 5.950 2.743 ( -11.854 -0.000 4.967) 12.852 2.849 ( -10.928 -0.000 -6.120) 12.525 3.095 ( -3.213 -0.000 -0.675) 3.284 3.099 ( -4.911 -0.000 -0.432) 4.930 3.933 ( 4.311 0.000 3.868) 5.792 4.017 ( 4.974 0.000 -5.209) 7.203 4.202 ( -2.129 -0.000 0.088) 2.131 4.202 ( -0.810 -0.000 0.051) 0.812 4.336 ( -2.800 -0.000 0.562) 2.855 4.350 ( -4.997 -0.000 -1.114) 5.119 4.457 ( -1.146 -0.000 0.509) 1.254 4.481 ( -0.401 -0.000 -1.986) 2.026 4.666 ( -0.340 -0.000 6.098) 6.107 4.773 ( -0.663 -0.000 -5.475) 5.515 4.852 ( -1.799 -0.000 2.546) 3.117 4.920 ( -2.874 -0.000 -4.792) 5.587 5.468 ( 2.754 0.000 8.053) 8.511 5.526 ( 1.078 0.000 0.799) 1.342 5.694 ( 4.761 0.000 2.185) 5.238 5.775 ( 8.811 0.000 -5.510) 10.392 6.687 ( 1.585 0.000 2.982) 3.377 6.736 ( 0.359 0.000 -2.214) 2.243 ======================= Grid point 357 (122/129) ======================= q-point: (-0.58 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -6.368 -0.266 1.974) 6.672 0.995 ( -6.890 -0.101 -2.186) 7.229 1.151 ( -1.820 0.214 6.383) 6.640 1.258 ( -3.952 -0.223 -4.588) 6.060 1.494 ( -3.725 -1.714 1.306) 4.303 1.538 ( -2.148 -1.579 -2.970) 3.991 1.758 ( -7.248 0.669 9.004) 11.578 1.869 ( -5.971 1.960 -4.007) 7.453 1.926 ( -2.459 -0.605 5.264) 5.841 1.997 ( -6.054 0.977 -1.919) 6.426 2.090 ( -3.748 -0.385 2.700) 4.635 2.131 ( -0.082 -0.353 -0.899) 0.969 2.459 ( -15.203 0.889 4.951) 16.014 2.538 ( -11.764 0.432 -2.488) 12.032 2.601 ( 2.497 -0.175 -0.508) 2.554 2.615 ( -6.368 -0.157 -2.146) 6.722 2.964 ( -7.533 0.181 1.930) 7.779 3.036 ( -1.933 0.322 -6.231) 6.531 3.996 ( 0.891 0.141 4.352) 4.445 4.088 ( 0.592 0.235 -5.608) 5.644 4.171 ( -1.367 0.081 1.177) 1.805 4.201 ( 0.396 0.011 -1.951) 1.991 4.277 ( -2.428 0.015 0.113) 2.431 4.287 ( -2.354 -0.089 -0.856) 2.506 4.441 ( -0.606 0.009 2.232) 2.313 4.483 ( 0.224 0.013 -2.368) 2.378 4.675 ( 2.248 0.021 3.812) 4.426 4.748 ( -1.511 -0.508 -3.800) 4.121 4.806 ( -2.359 -0.041 1.425) 2.756 4.861 ( -2.923 -0.341 -4.035) 4.994 5.507 ( 0.975 -0.665 6.665) 6.769 5.554 ( 1.629 -0.361 0.997) 1.944 5.810 ( 6.494 0.097 7.261) 9.742 5.956 ( 9.006 0.233 -8.073) 12.096 6.730 ( 2.771 -0.062 1.721) 3.263 6.754 ( 1.416 -0.419 -0.563) 1.580 ======================= Grid point 358 (123/129) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -5.099 1.728 0.371) 5.397 0.845 ( -6.969 0.345 -0.945) 7.041 1.135 ( 0.251 3.355 5.104) 6.113 1.200 ( -1.625 1.473 -0.642) 2.285 1.410 ( -6.208 -5.462 3.486) 8.974 1.494 ( -3.939 -4.828 -4.706) 7.808 1.624 ( -5.613 1.395 7.250) 9.275 1.708 ( -8.543 3.926 -3.464) 10.020 1.839 ( -7.937 1.125 2.520) 8.404 1.856 ( -5.347 -1.315 0.594) 5.539 2.013 ( -5.869 -1.400 8.541) 10.457 2.142 ( 0.860 0.022 -0.783) 1.164 2.194 ( -7.770 1.208 -0.126) 7.864 2.253 ( -12.417 0.280 -7.320) 14.417 2.496 ( -7.628 -0.084 2.600) 8.059 2.559 ( -7.605 -0.403 -3.956) 8.582 2.878 ( 0.788 0.800 8.314) 8.389 3.041 ( 2.839 1.145 -9.314) 9.804 3.958 ( -3.847 0.379 3.147) 4.985 4.021 ( -6.255 0.686 -3.345) 7.127 4.083 ( -7.729 0.044 1.174) 7.818 4.134 ( -7.882 -0.169 -4.133) 8.901 4.269 ( 0.712 -0.246 0.060) 0.755 4.276 ( 1.599 -0.268 -0.749) 1.785 4.424 ( -1.695 0.308 2.546) 3.074 4.475 ( -1.509 0.389 -3.032) 3.409 4.718 ( 0.234 0.178 3.993) 4.004 4.766 ( 3.414 -1.414 1.204) 3.886 4.785 ( 0.599 0.973 -1.670) 2.023 4.834 ( 1.102 -1.709 -4.800) 5.213 5.519 ( -0.296 -1.925 8.785) 8.998 5.595 ( 2.035 -0.966 0.204) 2.262 5.937 ( 5.923 0.365 9.427) 11.139 6.117 ( 6.893 0.595 -10.076) 12.222 6.796 ( 3.571 -0.145 1.342) 3.818 6.802 ( 3.122 -0.745 0.671) 3.279 ======================= Grid point 359 (124/129) ======================= q-point: (-0.42 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -2.867 2.140 2.327) 4.267 0.771 ( 0.185 5.282 -2.676) 5.924 1.069 ( -5.134 6.121 7.803) 11.167 1.175 ( 0.543 6.084 -1.452) 6.278 1.329 ( -3.362 -3.302 4.069) 6.226 1.401 ( -8.837 -2.813 -2.245) 9.542 1.515 ( -3.852 -0.741 2.165) 4.480 1.543 ( -4.605 1.311 -1.056) 4.903 1.689 ( -5.266 -0.199 10.414) 11.671 1.778 ( -3.430 -4.273 -0.262) 5.486 1.895 ( -4.750 -3.593 3.416) 6.866 2.077 ( -3.414 0.987 -8.970) 9.648 2.148 ( 0.749 0.441 0.593) 1.052 2.175 ( 1.195 -0.411 -2.978) 3.235 2.335 ( -7.326 0.041 0.706) 7.360 2.375 ( -9.055 -0.399 -3.078) 9.572 2.942 ( 4.667 1.309 9.679) 10.824 3.115 ( 4.565 1.910 -9.204) 10.450 3.855 ( -8.472 0.235 0.825) 8.515 3.864 ( -5.566 0.274 0.308) 5.581 3.926 ( -8.161 -0.038 -1.093) 8.234 3.941 ( -7.744 -0.465 -2.505) 8.152 4.285 ( 0.151 -0.152 0.320) 0.384 4.298 ( -0.018 -0.256 -1.081) 1.111 4.369 ( -2.666 0.481 2.271) 3.535 4.421 ( -2.477 0.593 -3.722) 4.510 4.741 ( 1.499 -0.365 6.439) 6.621 4.786 ( 0.544 -0.209 0.707) 0.916 4.826 ( 1.817 -0.158 1.244) 2.208 4.916 ( 3.972 -1.545 -6.312) 7.616 5.523 ( -0.515 -3.274 11.620) 12.083 5.640 ( 1.585 -1.673 -1.092) 2.550 6.030 ( 3.415 0.647 9.632) 10.240 6.217 ( 3.378 0.845 -10.999) 11.537 6.869 ( 2.740 -0.403 1.196) 3.016 6.871 ( 3.331 -0.740 1.347) 3.668 ======================= Grid point 360 (125/129) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 0.000 3.391 2.995) 4.524 0.758 ( 0.000 8.067 -4.177) 9.084 0.938 ( 0.000 7.530 12.170) 14.311 1.152 ( 0.000 5.564 -10.811) 12.159 1.270 ( 0.000 2.876 7.508) 8.040 1.299 ( 0.000 4.991 3.046) 5.847 1.496 ( -0.000 -4.352 0.489) 4.379 1.504 ( -0.000 -4.443 -0.311) 4.454 1.647 ( -0.000 -1.546 14.360) 14.443 1.772 ( -0.000 -5.666 0.523) 5.690 1.880 ( -0.000 -5.504 -1.707) 5.762 2.051 ( 0.000 0.669 -13.958) 13.974 2.175 ( 0.000 0.066 3.411) 3.411 2.189 ( -0.000 -0.470 3.828) 3.857 2.253 ( 0.000 0.033 -4.604) 4.604 2.259 ( -0.000 -0.029 -3.707) 3.707 2.998 ( 0.000 1.165 8.851) 8.928 3.162 ( 0.000 2.135 -8.948) 9.199 3.753 ( 0.000 0.104 0.218) 0.242 3.757 ( 0.000 0.108 -0.196) 0.224 3.847 ( 0.000 0.092 1.365) 1.368 3.872 ( 0.000 0.080 -1.241) 1.243 4.277 ( 0.000 0.094 0.544) 0.552 4.289 ( 0.000 0.083 -0.710) 0.714 4.342 ( 0.000 0.347 2.128) 2.156 4.397 ( 0.000 0.307 -4.068) 4.080 4.759 ( -0.000 -0.021 5.120) 5.120 4.796 ( -0.000 -0.437 0.542) 0.696 4.847 ( -0.000 -0.434 4.252) 4.274 4.967 ( -0.000 -1.437 -6.741) 6.892 5.538 ( -0.000 -4.473 12.456) 13.235 5.668 ( -0.000 -2.368 -1.534) 2.821 6.061 ( 0.000 0.843 9.373) 9.411 6.245 ( 0.000 1.036 -11.167) 11.215 6.901 ( -0.000 -0.410 1.828) 1.873 6.914 ( -0.000 -1.277 0.765) 1.489 ======================= Grid point 369 (126/129) ======================= q-point: (-0.58 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -3.992 -0.000 -0.301) 4.004 0.846 ( -7.109 -0.000 -0.512) 7.127 1.159 ( 2.325 0.000 4.639) 5.188 1.205 ( -1.461 -0.000 1.027) 1.786 1.379 ( -7.034 -0.000 2.987) 7.642 1.466 ( -4.698 -0.000 -5.541) 7.265 1.632 ( -5.629 -0.000 8.771) 10.422 1.731 ( -8.242 -0.000 -3.417) 8.922 1.838 ( -5.704 -0.000 1.034) 5.797 1.855 ( -8.050 -0.000 -0.790) 8.089 2.005 ( -6.211 -0.000 10.102) 11.858 2.142 ( 1.042 0.000 -1.031) 1.466 2.201 ( -7.946 -0.000 0.115) 7.947 2.254 ( -12.695 -0.000 -7.051) 14.522 2.496 ( -7.579 -0.000 2.435) 7.961 2.557 ( -7.598 -0.000 -3.931) 8.555 2.883 ( 0.883 0.000 8.492) 8.537 3.047 ( 2.946 0.000 -9.316) 9.771 3.960 ( -3.852 -0.000 3.219) 5.020 4.025 ( -6.291 -0.000 -3.413) 7.157 4.084 ( -7.761 -0.000 1.083) 7.837 4.133 ( -8.092 -0.000 -4.033) 9.042 4.267 ( 0.737 0.000 0.037) 0.738 4.274 ( 1.566 0.000 -0.763) 1.743 4.425 ( -1.628 -0.000 2.554) 3.029 4.477 ( -1.406 -0.000 -3.059) 3.367 4.720 ( -0.542 -0.000 4.669) 4.700 4.758 ( 4.024 0.000 1.143) 4.183 4.792 ( 1.141 0.000 -1.553) 1.927 4.823 ( 0.721 0.000 -5.322) 5.371 5.509 ( -0.420 -0.000 9.222) 9.232 5.590 ( 1.988 0.000 0.041) 1.989 5.939 ( 5.956 0.000 9.507) 11.219 6.120 ( 6.906 0.000 -10.126) 12.257 6.797 ( 3.489 0.000 0.891) 3.601 6.797 ( 3.253 0.000 1.029) 3.412 ======================= Grid point 371 (127/129) ======================= q-point: (-0.50 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -2.728 0.677 3.395) 4.408 0.809 ( 0.958 1.820 -4.388) 4.846 1.131 ( -6.251 4.655 9.272) 12.113 1.236 ( 3.721 4.194 1.642) 5.843 1.285 ( 0.205 -3.295 3.152) 4.564 1.352 ( -6.835 -4.761 -6.207) 10.388 1.519 ( -5.641 0.697 5.954) 8.232 1.568 ( -6.781 2.048 -0.797) 7.128 1.687 ( -7.325 -0.138 4.249) 8.469 1.741 ( -3.799 -2.187 -0.426) 4.404 1.866 ( -5.296 -1.556 6.444) 8.485 2.083 ( -3.788 0.317 -9.868) 10.575 2.152 ( 0.786 0.258 1.098) 1.375 2.172 ( 1.196 -0.196 -2.069) 2.398 2.336 ( -7.279 0.026 0.428) 7.292 2.371 ( -8.968 -0.163 -3.038) 9.470 2.952 ( 4.568 0.461 10.183) 11.170 3.129 ( 4.516 0.674 -9.160) 10.235 3.857 ( -8.754 0.089 0.864) 8.797 3.866 ( -5.750 0.101 0.348) 5.761 3.926 ( -9.412 0.029 -1.408) 9.517 3.938 ( -6.191 -0.234 -2.008) 6.513 4.284 ( 0.253 -0.051 0.250) 0.359 4.296 ( 0.138 -0.091 -1.077) 1.090 4.372 ( -2.733 0.189 2.329) 3.596 4.425 ( -2.600 0.237 -3.792) 4.604 4.738 ( 1.607 -0.207 8.094) 8.255 4.784 ( 0.411 -0.119 1.021) 1.107 4.827 ( 1.800 0.130 -0.138) 1.810 4.904 ( 4.213 -0.696 -6.575) 7.839 5.500 ( -0.566 -1.099 12.407) 12.469 5.628 ( 1.519 -0.558 -1.496) 2.204 6.035 ( 3.434 0.226 9.760) 10.349 6.223 ( 3.340 0.285 -10.997) 11.496 6.866 ( 3.221 -0.228 1.503) 3.562 6.867 ( 2.913 -0.110 0.844) 3.035 ======================= Grid point 372 (128/129) ======================= q-point: (-0.42 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 1.475 5.183) 5.389 0.821 ( 0.000 3.858 -6.136) 7.248 1.007 ( 0.000 5.013 11.282) 12.345 1.206 ( 0.000 4.204 -10.003) 10.850 1.305 ( 0.000 3.411 10.235) 10.788 1.351 ( 0.000 4.200 2.969) 5.144 1.452 ( -0.000 -3.603 0.462) 3.632 1.462 ( -0.000 -3.232 -0.610) 3.289 1.623 ( -0.000 -2.503 8.434) 8.798 1.720 ( -0.000 -3.827 0.179) 3.831 1.832 ( -0.000 -3.259 1.803) 3.725 2.056 ( 0.000 0.296 -14.249) 14.252 2.177 ( 0.000 0.245 3.685) 3.693 2.185 ( -0.000 -0.267 4.087) 4.095 2.253 ( -0.000 -0.020 -4.275) 4.275 2.259 ( -0.000 -0.021 -3.853) 3.853 3.008 ( 0.000 0.635 9.905) 9.926 3.179 ( 0.000 1.131 -8.813) 8.886 3.754 ( 0.000 0.060 0.212) 0.221 3.758 ( 0.000 0.062 -0.206) 0.215 3.848 ( 0.000 0.053 1.358) 1.359 3.872 ( 0.000 0.046 -1.237) 1.238 4.278 ( 0.000 0.054 0.525) 0.528 4.290 ( 0.000 0.048 -0.718) 0.720 4.346 ( 0.000 0.230 2.114) 2.126 4.400 ( 0.000 0.239 -4.127) 4.133 4.758 ( -0.000 -0.151 7.254) 7.255 4.791 ( -0.000 -0.392 1.379) 1.433 4.846 ( 0.000 0.110 1.778) 1.781 4.953 ( -0.000 -1.041 -6.949) 7.027 5.502 ( -0.000 -2.214 13.497) 13.678 5.649 ( -0.000 -1.186 -2.161) 2.466 6.068 ( 0.000 0.459 9.572) 9.583 6.253 ( 0.000 0.520 -11.068) 11.080 6.899 ( -0.000 -0.084 1.300) 1.302 6.905 ( -0.000 -0.574 1.039) 1.187 ======================= Grid point 384 (129/129) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.000 0.000 5.956) 5.956 0.841 ( 0.000 0.000 -6.782) 6.782 1.035 ( 0.000 0.000 11.042) 11.042 1.230 ( 0.000 0.000 -9.849) 9.849 1.327 ( 0.000 0.000 12.163) 12.163 1.375 ( -0.000 -0.000 2.940) 2.940 1.430 ( -0.000 -0.000 0.596) 0.596 1.443 ( 0.000 0.000 -0.789) 0.789 1.607 ( 0.000 0.000 4.981) 4.981 1.698 ( 0.000 0.000 -0.847) 0.847 1.815 ( 0.000 0.000 4.321) 4.321 2.058 ( 0.000 0.000 -14.282) 14.282 2.179 ( 0.000 0.000 3.714) 3.714 2.183 ( 0.000 0.000 4.180) 4.180 2.253 ( 0.000 0.000 -4.121) 4.121 2.259 ( 0.000 0.000 -3.905) 3.905 3.011 ( 0.000 0.000 10.277) 10.277 3.185 ( 0.000 0.000 -8.762) 8.762 3.755 ( 0.000 0.000 0.210) 0.210 3.759 ( 0.000 0.000 -0.209) 0.209 3.848 ( 0.000 0.000 1.356) 1.356 3.873 ( 0.000 0.000 -1.236) 1.236 4.278 ( 0.000 0.000 0.519) 0.519 4.290 ( 0.000 0.000 -0.722) 0.722 4.347 ( 0.000 0.000 2.115) 2.115 4.401 ( 0.000 0.000 -4.153) 4.153 4.757 ( 0.000 0.000 8.296) 8.296 4.789 ( 0.000 0.000 1.262) 1.262 4.847 ( 0.000 0.000 1.009) 1.009 4.947 ( 0.000 0.000 -7.040) 7.040 5.491 ( 0.000 0.000 13.801) 13.801 5.643 ( 0.000 0.000 -2.383) 2.383 6.071 ( 0.000 0.000 9.636) 9.636 6.256 ( 0.000 0.000 -11.020) 11.020 6.898 ( 0.000 0.000 1.059) 1.059 6.902 ( 0.000 0.000 1.189) 1.189 =================== 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 3/25920 10.0 20.054 23.247 19.501 0.000 0.000 0.000 3/25920 20.0 8.614 4.180 5.221 0.000 0.000 0.000 3/25920 30.0 6.170 2.182 3.490 0.000 0.000 0.000 3/25920 40.0 5.005 1.508 2.772 0.000 0.000 0.000 3/25920 50.0 4.219 1.166 2.339 0.000 0.000 0.000 3/25920 60.0 3.641 0.956 2.042 0.000 0.000 0.000 3/25920 70.0 3.200 0.814 1.823 0.000 0.000 0.000 3/25920 80.0 2.854 0.711 1.652 0.000 0.000 0.000 3/25920 90.0 2.575 0.632 1.513 0.000 0.000 0.000 3/25920 100.0 2.346 0.569 1.396 0.000 0.000 0.000 3/25920 110.0 2.154 0.518 1.297 0.000 0.000 0.000 3/25920 120.0 1.991 0.476 1.211 0.000 0.000 0.000 3/25920 130.0 1.851 0.441 1.135 0.000 0.000 0.000 3/25920 140.0 1.729 0.410 1.068 0.000 0.000 0.000 3/25920 150.0 1.623 0.383 1.009 0.000 0.000 0.000 3/25920 160.0 1.528 0.360 0.955 0.000 0.000 0.000 3/25920 170.0 1.444 0.339 0.907 0.000 0.000 0.000 3/25920 180.0 1.369 0.321 0.864 0.000 0.000 0.000 3/25920 190.0 1.301 0.304 0.824 0.000 0.000 0.000 3/25920 200.0 1.239 0.290 0.787 0.000 0.000 0.000 3/25920 210.0 1.183 0.276 0.754 0.000 0.000 0.000 3/25920 220.0 1.132 0.264 0.724 0.000 0.000 0.000 3/25920 230.0 1.085 0.253 0.695 0.000 0.000 0.000 3/25920 240.0 1.042 0.242 0.669 0.000 0.000 0.000 3/25920 250.0 1.002 0.233 0.645 0.000 0.000 0.000 3/25920 260.0 0.965 0.224 0.622 0.000 0.000 0.000 3/25920 270.0 0.931 0.216 0.601 0.000 0.000 0.000 3/25920 280.0 0.899 0.208 0.581 0.000 0.000 0.000 3/25920 290.0 0.869 0.201 0.563 0.000 0.000 0.000 3/25920 300.0 0.841 0.195 0.545 0.000 0.000 0.000 3/25920 310.0 0.815 0.189 0.529 0.000 0.000 0.000 3/25920 320.0 0.790 0.183 0.513 0.000 0.000 0.000 3/25920 330.0 0.767 0.177 0.499 0.000 0.000 0.000 3/25920 340.0 0.745 0.172 0.485 0.000 0.000 0.000 3/25920 350.0 0.724 0.167 0.472 0.000 0.000 0.000 3/25920 360.0 0.705 0.163 0.460 0.000 0.000 0.000 3/25920 370.0 0.686 0.158 0.448 0.000 0.000 0.000 3/25920 380.0 0.668 0.154 0.437 0.000 0.000 0.000 3/25920 390.0 0.652 0.150 0.426 0.000 0.000 0.000 3/25920 400.0 0.636 0.147 0.416 0.000 0.000 0.000 3/25920 410.0 0.621 0.143 0.406 0.000 0.000 0.000 3/25920 420.0 0.606 0.140 0.397 0.000 0.000 0.000 3/25920 430.0 0.592 0.137 0.388 0.000 0.000 0.000 3/25920 440.0 0.579 0.134 0.380 0.000 0.000 0.000 3/25920 450.0 0.567 0.131 0.372 0.000 0.000 0.000 3/25920 460.0 0.555 0.128 0.364 0.000 0.000 0.000 3/25920 470.0 0.543 0.125 0.357 0.000 0.000 0.000 3/25920 480.0 0.532 0.123 0.350 0.000 0.000 0.000 3/25920 490.0 0.521 0.120 0.343 0.000 0.000 0.000 3/25920 500.0 0.511 0.118 0.336 0.000 0.000 0.000 3/25920 510.0 0.501 0.115 0.330 0.000 0.000 0.000 3/25920 520.0 0.492 0.113 0.324 0.000 0.000 0.000 3/25920 530.0 0.483 0.111 0.318 0.000 0.000 0.000 3/25920 540.0 0.474 0.109 0.312 0.000 0.000 0.000 3/25920 550.0 0.465 0.107 0.307 0.000 0.000 0.000 3/25920 560.0 0.457 0.105 0.301 0.000 0.000 0.000 3/25920 570.0 0.449 0.103 0.296 0.000 0.000 0.000 3/25920 580.0 0.442 0.102 0.291 0.000 0.000 0.000 3/25920 590.0 0.434 0.100 0.287 0.000 0.000 0.000 3/25920 600.0 0.427 0.098 0.282 0.000 0.000 0.000 3/25920 610.0 0.420 0.097 0.277 0.000 0.000 0.000 3/25920 620.0 0.414 0.095 0.273 0.000 0.000 0.000 3/25920 630.0 0.407 0.094 0.269 0.000 0.000 0.000 3/25920 640.0 0.401 0.092 0.265 0.000 0.000 0.000 3/25920 650.0 0.395 0.091 0.261 0.000 0.000 0.000 3/25920 660.0 0.389 0.089 0.257 0.000 0.000 0.000 3/25920 670.0 0.383 0.088 0.253 0.000 0.000 0.000 3/25920 680.0 0.378 0.087 0.250 0.000 0.000 0.000 3/25920 690.0 0.372 0.086 0.246 0.000 0.000 0.000 3/25920 700.0 0.367 0.084 0.243 0.000 0.000 0.000 3/25920 710.0 0.362 0.083 0.239 0.000 0.000 0.000 3/25920 720.0 0.357 0.082 0.236 0.000 0.000 0.000 3/25920 730.0 0.352 0.081 0.233 0.000 0.000 0.000 3/25920 740.0 0.347 0.080 0.230 0.000 0.000 0.000 3/25920 750.0 0.343 0.079 0.227 0.000 0.000 0.000 3/25920 760.0 0.338 0.078 0.224 0.000 0.000 0.000 3/25920 770.0 0.334 0.077 0.221 0.000 0.000 0.000 3/25920 780.0 0.330 0.076 0.218 0.000 0.000 0.000 3/25920 790.0 0.326 0.075 0.216 0.000 0.000 0.000 3/25920 800.0 0.322 0.074 0.213 0.000 0.000 0.000 3/25920 810.0 0.318 0.073 0.211 0.000 0.000 0.000 3/25920 820.0 0.314 0.072 0.208 0.000 0.000 0.000 3/25920 830.0 0.310 0.071 0.206 0.000 0.000 0.000 3/25920 840.0 0.307 0.070 0.203 0.000 0.000 0.000 3/25920 850.0 0.303 0.070 0.201 0.000 0.000 0.000 3/25920 860.0 0.299 0.069 0.199 0.000 0.000 0.000 3/25920 870.0 0.296 0.068 0.196 0.000 0.000 0.000 3/25920 880.0 0.293 0.067 0.194 0.000 0.000 0.000 3/25920 890.0 0.289 0.066 0.192 0.000 0.000 0.000 3/25920 900.0 0.286 0.066 0.190 0.000 0.000 0.000 3/25920 910.0 0.283 0.065 0.188 0.000 0.000 0.000 3/25920 920.0 0.280 0.064 0.186 0.000 0.000 0.000 3/25920 930.0 0.277 0.064 0.184 0.000 0.000 0.000 3/25920 940.0 0.274 0.063 0.182 0.000 0.000 0.000 3/25920 950.0 0.271 0.062 0.180 0.000 0.000 0.000 3/25920 960.0 0.269 0.062 0.178 0.000 0.000 0.000 3/25920 970.0 0.266 0.061 0.176 0.000 0.000 0.000 3/25920 980.0 0.263 0.060 0.175 0.000 0.000 0.000 3/25920 990.0 0.261 0.060 0.173 0.000 0.000 0.000 3/25920 1000.0 0.258 0.059 0.171 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m12125.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:47:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|