----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:51:04]------------------------- 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 2.173953970000000 -8.382851040000000 0.000000000000000 b 2.173953970000000 8.382851040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.485351229999997 Atomic positions (fractional): *1 Cs 0.75286322131180 0.24713677868820 0.25000000000000 132.905 2 Cs 0.24713677868820 0.75286322131180 0.75000000000000 132.905 *3 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 4 Dy 0.50000000000000 0.50000000000000 0.00000000000000 162.500 *5 Zn 0.03656035889104 0.96343964110896 0.25000000000000 65.380 6 Zn 0.96343964110896 0.03656035889104 0.75000000000000 65.380 *7 Te 0.12167894488578 0.87832105511422 0.44232078550483 127.600 8 Te 0.87832105511422 0.12167894488578 0.55767921449517 127.600 9 Te 0.87832105511422 0.12167894488578 0.94232078550483 127.600 10 Te 0.12167894488578 0.87832105511422 0.05767921449517 127.600 *11 Te 0.43861138539004 0.56138861460996 0.25000000000000 127.600 12 Te 0.56138861460996 0.43861138539004 0.75000000000000 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.347907940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.765702080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.485351229999997 Atomic positions (fractional): *1 Cs 0.00000000000000 0.24713677868820 0.25000000000000 132.905 > 1 2 Cs 0.50000000000000 0.25286322131180 0.75000000000000 132.905 > 2 3 Cs 0.50000000000000 0.74713677868820 0.25000000000000 132.905 > 1 4 Cs 0.00000000000000 0.75286322131180 0.75000000000000 132.905 > 2 *5 Dy 0.50000000000000 0.00000000000000 0.50000000000000 162.500 > 3 6 Dy 0.50000000000000 0.00000000000000 0.00000000000000 162.500 > 4 7 Dy 0.00000000000000 0.50000000000000 0.50000000000000 162.500 > 3 8 Dy 0.00000000000000 0.50000000000000 0.00000000000000 162.500 > 4 *9 Zn 0.50000000000000 0.46343964110896 0.25000000000000 65.380 > 5 10 Zn 0.00000000000000 0.03656035889104 0.75000000000000 65.380 > 6 11 Zn 0.00000000000000 0.96343964110896 0.25000000000000 65.380 > 5 12 Zn 0.50000000000000 0.53656035889104 0.75000000000000 65.380 > 6 *13 Te 0.50000000000000 0.37832105511422 0.44232078550483 127.600 > 7 14 Te 0.00000000000000 0.12167894488578 0.55767921449517 127.600 > 8 15 Te 0.00000000000000 0.12167894488578 0.94232078550483 127.600 > 9 16 Te 0.50000000000000 0.37832105511422 0.05767921449517 127.600 > 10 *17 Te 0.50000000000000 0.06138861460996 0.25000000000000 127.600 > 11 18 Te 0.00000000000000 0.43861138539004 0.75000000000000 127.600 > 12 19 Te 0.00000000000000 0.87832105511422 0.44232078550483 127.600 > 7 20 Te 0.50000000000000 0.62167894488578 0.55767921449517 127.600 > 8 21 Te 0.50000000000000 0.62167894488578 0.94232078550483 127.600 > 9 22 Te 0.00000000000000 0.87832105511422 0.05767921449517 127.600 > 10 23 Te 0.00000000000000 0.56138861460996 0.25000000000000 127.600 > 11 24 Te 0.50000000000000 0.93861138539004 0.75000000000000 127.600 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.043723820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.765702080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 22.970702459999995 Atomic positions (fractional): *1 Cs 0.00000000000000 0.24713677868820 0.12500000000000 132.905 > 1 2 Cs 0.33333333333333 0.24713677868820 0.12500000000000 132.905 > 1 3 Cs 0.66666666666667 0.24713677868820 0.12500000000000 132.905 > 1 4 Cs 0.00000000000000 0.24713677868820 0.62500000000000 132.905 > 1 5 Cs 0.33333333333333 0.24713677868820 0.62500000000000 132.905 > 1 6 Cs 0.66666666666667 0.24713677868820 0.62500000000000 132.905 > 1 7 Cs 0.16666666666667 0.25286322131180 0.37500000000000 132.905 > 2 8 Cs 0.50000000000000 0.25286322131180 0.37500000000000 132.905 > 2 9 Cs 0.83333333333333 0.25286322131180 0.37500000000000 132.905 > 2 10 Cs 0.16666666666667 0.25286322131180 0.87500000000000 132.905 > 2 11 Cs 0.50000000000000 0.25286322131180 0.87500000000000 132.905 > 2 12 Cs 0.83333333333333 0.25286322131180 0.87500000000000 132.905 > 2 13 Cs 0.16666666666667 0.74713677868820 0.12500000000000 132.905 > 1 14 Cs 0.50000000000000 0.74713677868820 0.12500000000000 132.905 > 1 15 Cs 0.83333333333333 0.74713677868820 0.12500000000000 132.905 > 1 16 Cs 0.16666666666667 0.74713677868820 0.62500000000000 132.905 > 1 17 Cs 0.50000000000000 0.74713677868820 0.62500000000000 132.905 > 1 18 Cs 0.83333333333333 0.74713677868820 0.62500000000000 132.905 > 1 19 Cs 0.00000000000000 0.75286322131180 0.37500000000000 132.905 > 2 20 Cs 0.33333333333333 0.75286322131180 0.37500000000000 132.905 > 2 21 Cs 0.66666666666667 0.75286322131180 0.37500000000000 132.905 > 2 22 Cs 0.00000000000000 0.75286322131180 0.87500000000000 132.905 > 2 23 Cs 0.33333333333333 0.75286322131180 0.87500000000000 132.905 > 2 24 Cs 0.66666666666667 0.75286322131180 0.87500000000000 132.905 > 2 *25 Dy 0.16666666666667 0.00000000000000 0.25000000000000 162.500 > 3 26 Dy 0.50000000000000 0.00000000000000 0.25000000000000 162.500 > 3 27 Dy 0.83333333333333 0.00000000000000 0.25000000000000 162.500 > 3 28 Dy 0.16666666666667 0.00000000000000 0.75000000000000 162.500 > 3 29 Dy 0.50000000000000 0.00000000000000 0.75000000000000 162.500 > 3 30 Dy 0.83333333333333 0.00000000000000 0.75000000000000 162.500 > 3 31 Dy 0.16666666666667 0.00000000000000 0.00000000000000 162.500 > 4 32 Dy 0.50000000000000 0.00000000000000 0.00000000000000 162.500 > 4 33 Dy 0.83333333333333 0.00000000000000 0.00000000000000 162.500 > 4 34 Dy 0.16666666666667 0.00000000000000 0.50000000000000 162.500 > 4 35 Dy 0.50000000000000 0.00000000000000 0.50000000000000 162.500 > 4 36 Dy 0.83333333333333 0.00000000000000 0.50000000000000 162.500 > 4 37 Dy 0.00000000000000 0.50000000000000 0.25000000000000 162.500 > 3 38 Dy 0.33333333333333 0.50000000000000 0.25000000000000 162.500 > 3 39 Dy 0.66666666666667 0.50000000000000 0.25000000000000 162.500 > 3 40 Dy 0.00000000000000 0.50000000000000 0.75000000000000 162.500 > 3 41 Dy 0.33333333333333 0.50000000000000 0.75000000000000 162.500 > 3 42 Dy 0.66666666666667 0.50000000000000 0.75000000000000 162.500 > 3 43 Dy 0.00000000000000 0.50000000000000 0.00000000000000 162.500 > 4 44 Dy 0.33333333333333 0.50000000000000 0.00000000000000 162.500 > 4 45 Dy 0.66666666666667 0.50000000000000 0.00000000000000 162.500 > 4 46 Dy 0.00000000000000 0.50000000000000 0.50000000000000 162.500 > 4 47 Dy 0.33333333333333 0.50000000000000 0.50000000000000 162.500 > 4 48 Dy 0.66666666666667 0.50000000000000 0.50000000000000 162.500 > 4 *49 Zn 0.16666666666667 0.46343964110896 0.12500000000000 65.380 > 5 50 Zn 0.50000000000000 0.46343964110896 0.12500000000000 65.380 > 5 51 Zn 0.83333333333333 0.46343964110896 0.12500000000000 65.380 > 5 52 Zn 0.16666666666667 0.46343964110896 0.62500000000000 65.380 > 5 53 Zn 0.50000000000000 0.46343964110896 0.62500000000000 65.380 > 5 54 Zn 0.83333333333333 0.46343964110896 0.62500000000000 65.380 > 5 55 Zn 0.00000000000000 0.03656035889104 0.37500000000000 65.380 > 6 56 Zn 0.33333333333333 0.03656035889104 0.37500000000000 65.380 > 6 57 Zn 0.66666666666667 0.03656035889104 0.37500000000000 65.380 > 6 58 Zn 0.00000000000000 0.03656035889104 0.87500000000000 65.380 > 6 59 Zn 0.33333333333333 0.03656035889104 0.87500000000000 65.380 > 6 60 Zn 0.66666666666667 0.03656035889104 0.87500000000000 65.380 > 6 61 Zn 0.00000000000000 0.96343964110896 0.12500000000000 65.380 > 5 62 Zn 0.33333333333333 0.96343964110896 0.12500000000000 65.380 > 5 63 Zn 0.66666666666667 0.96343964110896 0.12500000000000 65.380 > 5 64 Zn 0.00000000000000 0.96343964110896 0.62500000000000 65.380 > 5 65 Zn 0.33333333333333 0.96343964110896 0.62500000000000 65.380 > 5 66 Zn 0.66666666666667 0.96343964110896 0.62500000000000 65.380 > 5 67 Zn 0.16666666666667 0.53656035889104 0.37500000000000 65.380 > 6 68 Zn 0.50000000000000 0.53656035889104 0.37500000000000 65.380 > 6 69 Zn 0.83333333333333 0.53656035889104 0.37500000000000 65.380 > 6 70 Zn 0.16666666666667 0.53656035889104 0.87500000000000 65.380 > 6 71 Zn 0.50000000000000 0.53656035889104 0.87500000000000 65.380 > 6 72 Zn 0.83333333333333 0.53656035889104 0.87500000000000 65.380 > 6 *73 Te 0.16666666666667 0.37832105511422 0.22116039275242 127.600 > 7 74 Te 0.50000000000000 0.37832105511422 0.22116039275242 127.600 > 7 75 Te 0.83333333333333 0.37832105511422 0.22116039275242 127.600 > 7 76 Te 0.16666666666667 0.37832105511422 0.72116039275242 127.600 > 7 77 Te 0.50000000000000 0.37832105511422 0.72116039275242 127.600 > 7 78 Te 0.83333333333333 0.37832105511422 0.72116039275242 127.600 > 7 79 Te 0.00000000000000 0.12167894488578 0.27883960724758 127.600 > 8 80 Te 0.33333333333333 0.12167894488578 0.27883960724758 127.600 > 8 81 Te 0.66666666666667 0.12167894488578 0.27883960724758 127.600 > 8 82 Te 0.00000000000000 0.12167894488578 0.77883960724758 127.600 > 8 83 Te 0.33333333333333 0.12167894488578 0.77883960724758 127.600 > 8 84 Te 0.66666666666667 0.12167894488578 0.77883960724758 127.600 > 8 85 Te 0.00000000000000 0.12167894488578 0.47116039275242 127.600 > 9 86 Te 0.33333333333333 0.12167894488578 0.47116039275242 127.600 > 9 87 Te 0.66666666666667 0.12167894488578 0.47116039275242 127.600 > 9 88 Te 0.00000000000000 0.12167894488578 0.97116039275242 127.600 > 9 89 Te 0.33333333333333 0.12167894488578 0.97116039275242 127.600 > 9 90 Te 0.66666666666667 0.12167894488578 0.97116039275242 127.600 > 9 91 Te 0.16666666666667 0.37832105511422 0.02883960724758 127.600 > 10 92 Te 0.50000000000000 0.37832105511422 0.02883960724758 127.600 > 10 93 Te 0.83333333333333 0.37832105511422 0.02883960724758 127.600 > 10 94 Te 0.16666666666667 0.37832105511422 0.52883960724758 127.600 > 10 95 Te 0.50000000000000 0.37832105511422 0.52883960724758 127.600 > 10 96 Te 0.83333333333333 0.37832105511422 0.52883960724758 127.600 > 10 *97 Te 0.16666666666667 0.06138861460996 0.12500000000000 127.600 > 11 98 Te 0.50000000000000 0.06138861460996 0.12500000000000 127.600 > 11 99 Te 0.83333333333333 0.06138861460996 0.12500000000000 127.600 > 11 100 Te 0.16666666666667 0.06138861460996 0.62500000000000 127.600 > 11 101 Te 0.50000000000000 0.06138861460996 0.62500000000000 127.600 > 11 102 Te 0.83333333333333 0.06138861460996 0.62500000000000 127.600 > 11 103 Te 0.00000000000000 0.43861138539004 0.37500000000000 127.600 > 12 104 Te 0.33333333333333 0.43861138539004 0.37500000000000 127.600 > 12 105 Te 0.66666666666667 0.43861138539004 0.37500000000000 127.600 > 12 106 Te 0.00000000000000 0.43861138539004 0.87500000000000 127.600 > 12 107 Te 0.33333333333333 0.43861138539004 0.87500000000000 127.600 > 12 108 Te 0.66666666666667 0.43861138539004 0.87500000000000 127.600 > 12 109 Te 0.00000000000000 0.87832105511422 0.22116039275242 127.600 > 7 110 Te 0.33333333333333 0.87832105511422 0.22116039275242 127.600 > 7 111 Te 0.66666666666667 0.87832105511422 0.22116039275242 127.600 > 7 112 Te 0.00000000000000 0.87832105511422 0.72116039275242 127.600 > 7 113 Te 0.33333333333333 0.87832105511422 0.72116039275242 127.600 > 7 114 Te 0.66666666666667 0.87832105511422 0.72116039275242 127.600 > 7 115 Te 0.16666666666667 0.62167894488578 0.27883960724758 127.600 > 8 116 Te 0.50000000000000 0.62167894488578 0.27883960724758 127.600 > 8 117 Te 0.83333333333333 0.62167894488578 0.27883960724758 127.600 > 8 118 Te 0.16666666666667 0.62167894488578 0.77883960724758 127.600 > 8 119 Te 0.50000000000000 0.62167894488578 0.77883960724758 127.600 > 8 120 Te 0.83333333333333 0.62167894488578 0.77883960724758 127.600 > 8 121 Te 0.16666666666667 0.62167894488578 0.47116039275242 127.600 > 9 122 Te 0.50000000000000 0.62167894488578 0.47116039275242 127.600 > 9 123 Te 0.83333333333333 0.62167894488578 0.47116039275242 127.600 > 9 124 Te 0.16666666666667 0.62167894488578 0.97116039275242 127.600 > 9 125 Te 0.50000000000000 0.62167894488578 0.97116039275242 127.600 > 9 126 Te 0.83333333333333 0.62167894488578 0.97116039275242 127.600 > 9 127 Te 0.00000000000000 0.87832105511422 0.02883960724758 127.600 > 10 128 Te 0.33333333333333 0.87832105511422 0.02883960724758 127.600 > 10 129 Te 0.66666666666667 0.87832105511422 0.02883960724758 127.600 > 10 130 Te 0.00000000000000 0.87832105511422 0.52883960724758 127.600 > 10 131 Te 0.33333333333333 0.87832105511422 0.52883960724758 127.600 > 10 132 Te 0.66666666666667 0.87832105511422 0.52883960724758 127.600 > 10 133 Te 0.00000000000000 0.56138861460996 0.12500000000000 127.600 > 11 134 Te 0.33333333333333 0.56138861460996 0.12500000000000 127.600 > 11 135 Te 0.66666666666667 0.56138861460996 0.12500000000000 127.600 > 11 136 Te 0.00000000000000 0.56138861460996 0.62500000000000 127.600 > 11 137 Te 0.33333333333333 0.56138861460996 0.62500000000000 127.600 > 11 138 Te 0.66666666666667 0.56138861460996 0.62500000000000 127.600 > 11 139 Te 0.16666666666667 0.93861138539004 0.37500000000000 127.600 > 12 140 Te 0.50000000000000 0.93861138539004 0.37500000000000 127.600 > 12 141 Te 0.83333333333333 0.93861138539004 0.37500000000000 127.600 > 12 142 Te 0.16666666666667 0.93861138539004 0.87500000000000 127.600 > 12 143 Te 0.50000000000000 0.93861138539004 0.87500000000000 127.600 > 12 144 Te 0.83333333333333 0.93861138539004 0.87500000000000 127.600 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.4723913 0.0000000 0.0000000 0.0000000 5.3259456 0.0000000 0.0000000 0.0000000 8.3102209 -------------------------- Born effective charges -------------------------- 1 Cs 1.2773950 0.0000000 0.0000000 0.0000000 2.0214355 0.0000000 0.0000000 0.0000000 1.3365133 2 Cs 1.2773950 0.0000000 0.0000000 0.0000000 2.0214355 0.0000000 0.0000000 0.0000000 1.3365133 3 Dy 5.5190158 0.0000000 0.0000000 0.0000000 1.5586330 0.4125006 0.0000000 0.5304798 4.9353871 4 Dy 5.5190158 0.0000000 0.0000000 0.0000000 1.5586330 -0.4125006 0.0000000 -0.5304798 4.9353871 5 Zn 2.0517146 0.0000000 0.0000000 0.0000000 0.6890155 0.0000000 0.0000000 0.0000000 1.8968148 6 Zn 2.0517146 0.0000000 0.0000000 0.0000000 0.6890155 0.0000000 0.0000000 0.0000000 1.8968148 7 Te -3.2859438 0.0000000 0.0000000 0.0000000 -1.5800271 -0.0685541 0.0000000 -0.0839042 -2.3135230 8 Te -3.2859438 0.0000000 0.0000000 0.0000000 -1.5800271 -0.0685541 0.0000000 -0.0839042 -2.3135230 9 Te -3.2859438 0.0000000 0.0000000 0.0000000 -1.5800271 0.0685541 0.0000000 0.0839042 -2.3135230 10 Te -3.2859438 0.0000000 0.0000000 0.0000000 -1.5800271 0.0685541 0.0000000 0.0839042 -2.3135230 11 Te -2.2762378 0.0000000 0.0000000 0.0000000 -1.1090297 0.0000000 0.0000000 0.0000000 -3.5416693 12 Te -2.2762378 0.0000000 0.0000000 0.0000000 -1.1090297 0.0000000 0.0000000 0.0000000 -3.5416693 ---------------------------------------------------------------------------- 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): 0.005 Solver_block: 100 / 240 - Time: 1.721 Solver_block: 200 / 240 - Time: 1.738 Solver_block: 240 / 240 - Time: 0.732 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.273 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:51:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:51:25]------------------------- 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 2.173953970000000 -8.382851040000000 0.000000000000000 b 2.173953970000000 8.382851040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.485351229999997 Atomic positions (fractional): 1 Cs 0.75286322131180 0.24713677868820 0.25000000000000 132.905 2 Cs 0.24713677868820 0.75286322131180 0.75000000000000 132.905 3 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 4 Dy 0.50000000000000 0.50000000000000 0.00000000000000 162.500 5 Zn 0.03656035889104 0.96343964110896 0.25000000000000 65.380 6 Zn 0.96343964110896 0.03656035889104 0.75000000000000 65.380 7 Te 0.12167894488578 0.87832105511422 0.44232078550483 127.600 8 Te 0.87832105511422 0.12167894488578 0.55767921449517 127.600 9 Te 0.87832105511422 0.12167894488578 0.94232078550483 127.600 10 Te 0.12167894488578 0.87832105511422 0.05767921449517 127.600 11 Te 0.43861138539004 0.56138861460996 0.25000000000000 127.600 12 Te 0.56138861460996 0.43861138539004 0.75000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.043723820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.765702080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 22.970702459999995 Atomic positions (fractional): 1 Cs 0.00000000000000 0.24713677868820 0.12500000000000 132.905 > 1 2 Cs 0.33333333333333 0.24713677868820 0.12500000000000 132.905 > 1 3 Cs 0.66666666666667 0.24713677868820 0.12500000000000 132.905 > 1 4 Cs 0.00000000000000 0.24713677868820 0.62500000000000 132.905 > 1 5 Cs 0.33333333333333 0.24713677868820 0.62500000000000 132.905 > 1 6 Cs 0.66666666666667 0.24713677868820 0.62500000000000 132.905 > 1 7 Cs 0.16666666666667 0.25286322131180 0.37500000000000 132.905 > 7 8 Cs 0.50000000000000 0.25286322131180 0.37500000000000 132.905 > 7 9 Cs 0.83333333333333 0.25286322131180 0.37500000000000 132.905 > 7 10 Cs 0.16666666666667 0.25286322131180 0.87500000000000 132.905 > 7 11 Cs 0.50000000000000 0.25286322131180 0.87500000000000 132.905 > 7 12 Cs 0.83333333333333 0.25286322131180 0.87500000000000 132.905 > 7 13 Cs 0.16666666666667 0.74713677868820 0.12500000000000 132.905 > 1 14 Cs 0.50000000000000 0.74713677868820 0.12500000000000 132.905 > 1 15 Cs 0.83333333333333 0.74713677868820 0.12500000000000 132.905 > 1 16 Cs 0.16666666666667 0.74713677868820 0.62500000000000 132.905 > 1 17 Cs 0.50000000000000 0.74713677868820 0.62500000000000 132.905 > 1 18 Cs 0.83333333333333 0.74713677868820 0.62500000000000 132.905 > 1 19 Cs 0.00000000000000 0.75286322131180 0.37500000000000 132.905 > 7 20 Cs 0.33333333333333 0.75286322131180 0.37500000000000 132.905 > 7 21 Cs 0.66666666666667 0.75286322131180 0.37500000000000 132.905 > 7 22 Cs 0.00000000000000 0.75286322131180 0.87500000000000 132.905 > 7 23 Cs 0.33333333333333 0.75286322131180 0.87500000000000 132.905 > 7 24 Cs 0.66666666666667 0.75286322131180 0.87500000000000 132.905 > 7 25 Dy 0.16666666666667 0.00000000000000 0.25000000000000 162.500 > 25 26 Dy 0.50000000000000 0.00000000000000 0.25000000000000 162.500 > 25 27 Dy 0.83333333333333 0.00000000000000 0.25000000000000 162.500 > 25 28 Dy 0.16666666666667 0.00000000000000 0.75000000000000 162.500 > 25 29 Dy 0.50000000000000 0.00000000000000 0.75000000000000 162.500 > 25 30 Dy 0.83333333333333 0.00000000000000 0.75000000000000 162.500 > 25 31 Dy 0.16666666666667 0.00000000000000 0.00000000000000 162.500 > 31 32 Dy 0.50000000000000 0.00000000000000 0.00000000000000 162.500 > 31 33 Dy 0.83333333333333 0.00000000000000 0.00000000000000 162.500 > 31 34 Dy 0.16666666666667 0.00000000000000 0.50000000000000 162.500 > 31 35 Dy 0.50000000000000 0.00000000000000 0.50000000000000 162.500 > 31 36 Dy 0.83333333333333 0.00000000000000 0.50000000000000 162.500 > 31 37 Dy 0.00000000000000 0.50000000000000 0.25000000000000 162.500 > 25 38 Dy 0.33333333333333 0.50000000000000 0.25000000000000 162.500 > 25 39 Dy 0.66666666666667 0.50000000000000 0.25000000000000 162.500 > 25 40 Dy 0.00000000000000 0.50000000000000 0.75000000000000 162.500 > 25 41 Dy 0.33333333333333 0.50000000000000 0.75000000000000 162.500 > 25 42 Dy 0.66666666666667 0.50000000000000 0.75000000000000 162.500 > 25 43 Dy 0.00000000000000 0.50000000000000 0.00000000000000 162.500 > 31 44 Dy 0.33333333333333 0.50000000000000 0.00000000000000 162.500 > 31 45 Dy 0.66666666666667 0.50000000000000 0.00000000000000 162.500 > 31 46 Dy 0.00000000000000 0.50000000000000 0.50000000000000 162.500 > 31 47 Dy 0.33333333333333 0.50000000000000 0.50000000000000 162.500 > 31 48 Dy 0.66666666666667 0.50000000000000 0.50000000000000 162.500 > 31 49 Zn 0.16666666666667 0.46343964110896 0.12500000000000 65.380 > 49 50 Zn 0.50000000000000 0.46343964110896 0.12500000000000 65.380 > 49 51 Zn 0.83333333333333 0.46343964110896 0.12500000000000 65.380 > 49 52 Zn 0.16666666666667 0.46343964110896 0.62500000000000 65.380 > 49 53 Zn 0.50000000000000 0.46343964110896 0.62500000000000 65.380 > 49 54 Zn 0.83333333333333 0.46343964110896 0.62500000000000 65.380 > 49 55 Zn 0.00000000000000 0.03656035889104 0.37500000000000 65.380 > 55 56 Zn 0.33333333333333 0.03656035889104 0.37500000000000 65.380 > 55 57 Zn 0.66666666666667 0.03656035889104 0.37500000000000 65.380 > 55 58 Zn 0.00000000000000 0.03656035889104 0.87500000000000 65.380 > 55 59 Zn 0.33333333333333 0.03656035889104 0.87500000000000 65.380 > 55 60 Zn 0.66666666666667 0.03656035889104 0.87500000000000 65.380 > 55 61 Zn 0.00000000000000 0.96343964110896 0.12500000000000 65.380 > 49 62 Zn 0.33333333333333 0.96343964110896 0.12500000000000 65.380 > 49 63 Zn 0.66666666666667 0.96343964110896 0.12500000000000 65.380 > 49 64 Zn 0.00000000000000 0.96343964110896 0.62500000000000 65.380 > 49 65 Zn 0.33333333333333 0.96343964110896 0.62500000000000 65.380 > 49 66 Zn 0.66666666666667 0.96343964110896 0.62500000000000 65.380 > 49 67 Zn 0.16666666666667 0.53656035889104 0.37500000000000 65.380 > 55 68 Zn 0.50000000000000 0.53656035889104 0.37500000000000 65.380 > 55 69 Zn 0.83333333333333 0.53656035889104 0.37500000000000 65.380 > 55 70 Zn 0.16666666666667 0.53656035889104 0.87500000000000 65.380 > 55 71 Zn 0.50000000000000 0.53656035889104 0.87500000000000 65.380 > 55 72 Zn 0.83333333333333 0.53656035889104 0.87500000000000 65.380 > 55 73 Te 0.16666666666667 0.37832105511422 0.22116039275242 127.600 > 73 74 Te 0.50000000000000 0.37832105511422 0.22116039275242 127.600 > 73 75 Te 0.83333333333333 0.37832105511422 0.22116039275242 127.600 > 73 76 Te 0.16666666666667 0.37832105511422 0.72116039275242 127.600 > 73 77 Te 0.50000000000000 0.37832105511422 0.72116039275242 127.600 > 73 78 Te 0.83333333333333 0.37832105511422 0.72116039275242 127.600 > 73 79 Te 0.00000000000000 0.12167894488578 0.27883960724758 127.600 > 79 80 Te 0.33333333333333 0.12167894488578 0.27883960724758 127.600 > 79 81 Te 0.66666666666667 0.12167894488578 0.27883960724758 127.600 > 79 82 Te 0.00000000000000 0.12167894488578 0.77883960724758 127.600 > 79 83 Te 0.33333333333333 0.12167894488578 0.77883960724758 127.600 > 79 84 Te 0.66666666666667 0.12167894488578 0.77883960724758 127.600 > 79 85 Te 0.00000000000000 0.12167894488578 0.47116039275242 127.600 > 85 86 Te 0.33333333333333 0.12167894488578 0.47116039275242 127.600 > 85 87 Te 0.66666666666667 0.12167894488578 0.47116039275242 127.600 > 85 88 Te 0.00000000000000 0.12167894488578 0.97116039275242 127.600 > 85 89 Te 0.33333333333333 0.12167894488578 0.97116039275242 127.600 > 85 90 Te 0.66666666666667 0.12167894488578 0.97116039275242 127.600 > 85 91 Te 0.16666666666667 0.37832105511422 0.02883960724758 127.600 > 91 92 Te 0.50000000000000 0.37832105511422 0.02883960724758 127.600 > 91 93 Te 0.83333333333333 0.37832105511422 0.02883960724758 127.600 > 91 94 Te 0.16666666666667 0.37832105511422 0.52883960724758 127.600 > 91 95 Te 0.50000000000000 0.37832105511422 0.52883960724758 127.600 > 91 96 Te 0.83333333333333 0.37832105511422 0.52883960724758 127.600 > 91 97 Te 0.16666666666667 0.06138861460996 0.12500000000000 127.600 > 97 98 Te 0.50000000000000 0.06138861460996 0.12500000000000 127.600 > 97 99 Te 0.83333333333333 0.06138861460996 0.12500000000000 127.600 > 97 100 Te 0.16666666666667 0.06138861460996 0.62500000000000 127.600 > 97 101 Te 0.50000000000000 0.06138861460996 0.62500000000000 127.600 > 97 102 Te 0.83333333333333 0.06138861460996 0.62500000000000 127.600 > 97 103 Te 0.00000000000000 0.43861138539004 0.37500000000000 127.600 > 103 104 Te 0.33333333333333 0.43861138539004 0.37500000000000 127.600 > 103 105 Te 0.66666666666667 0.43861138539004 0.37500000000000 127.600 > 103 106 Te 0.00000000000000 0.43861138539004 0.87500000000000 127.600 > 103 107 Te 0.33333333333333 0.43861138539004 0.87500000000000 127.600 > 103 108 Te 0.66666666666667 0.43861138539004 0.87500000000000 127.600 > 103 109 Te 0.00000000000000 0.87832105511422 0.22116039275242 127.600 > 73 110 Te 0.33333333333333 0.87832105511422 0.22116039275242 127.600 > 73 111 Te 0.66666666666667 0.87832105511422 0.22116039275242 127.600 > 73 112 Te 0.00000000000000 0.87832105511422 0.72116039275242 127.600 > 73 113 Te 0.33333333333333 0.87832105511422 0.72116039275242 127.600 > 73 114 Te 0.66666666666667 0.87832105511422 0.72116039275242 127.600 > 73 115 Te 0.16666666666667 0.62167894488578 0.27883960724758 127.600 > 79 116 Te 0.50000000000000 0.62167894488578 0.27883960724758 127.600 > 79 117 Te 0.83333333333333 0.62167894488578 0.27883960724758 127.600 > 79 118 Te 0.16666666666667 0.62167894488578 0.77883960724758 127.600 > 79 119 Te 0.50000000000000 0.62167894488578 0.77883960724758 127.600 > 79 120 Te 0.83333333333333 0.62167894488578 0.77883960724758 127.600 > 79 121 Te 0.16666666666667 0.62167894488578 0.47116039275242 127.600 > 85 122 Te 0.50000000000000 0.62167894488578 0.47116039275242 127.600 > 85 123 Te 0.83333333333333 0.62167894488578 0.47116039275242 127.600 > 85 124 Te 0.16666666666667 0.62167894488578 0.97116039275242 127.600 > 85 125 Te 0.50000000000000 0.62167894488578 0.97116039275242 127.600 > 85 126 Te 0.83333333333333 0.62167894488578 0.97116039275242 127.600 > 85 127 Te 0.00000000000000 0.87832105511422 0.02883960724758 127.600 > 91 128 Te 0.33333333333333 0.87832105511422 0.02883960724758 127.600 > 91 129 Te 0.66666666666667 0.87832105511422 0.02883960724758 127.600 > 91 130 Te 0.00000000000000 0.87832105511422 0.52883960724758 127.600 > 91 131 Te 0.33333333333333 0.87832105511422 0.52883960724758 127.600 > 91 132 Te 0.66666666666667 0.87832105511422 0.52883960724758 127.600 > 91 133 Te 0.00000000000000 0.56138861460996 0.12500000000000 127.600 > 97 134 Te 0.33333333333333 0.56138861460996 0.12500000000000 127.600 > 97 135 Te 0.66666666666667 0.56138861460996 0.12500000000000 127.600 > 97 136 Te 0.00000000000000 0.56138861460996 0.62500000000000 127.600 > 97 137 Te 0.33333333333333 0.56138861460996 0.62500000000000 127.600 > 97 138 Te 0.66666666666667 0.56138861460996 0.62500000000000 127.600 > 97 139 Te 0.16666666666667 0.93861138539004 0.37500000000000 127.600 > 103 140 Te 0.50000000000000 0.93861138539004 0.37500000000000 127.600 > 103 141 Te 0.83333333333333 0.93861138539004 0.37500000000000 127.600 > 103 142 Te 0.16666666666667 0.93861138539004 0.87500000000000 127.600 > 103 143 Te 0.50000000000000 0.93861138539004 0.87500000000000 127.600 > 103 144 Te 0.83333333333333 0.93861138539004 0.87500000000000 127.600 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.4723913 0.0000000 0.0000000 0.0000000 5.3259456 0.0000000 0.0000000 0.0000000 8.3102209 -------------------------- Born effective charges -------------------------- 1 Cs 1.2773950 0.0000000 0.0000000 0.0000000 2.0214355 0.0000000 0.0000000 0.0000000 1.3365133 2 Cs 1.2773950 0.0000000 0.0000000 0.0000000 2.0214355 0.0000000 0.0000000 0.0000000 1.3365133 3 Dy 5.5190158 0.0000000 0.0000000 0.0000000 1.5586330 0.4125006 0.0000000 0.5304798 4.9353871 4 Dy 5.5190158 0.0000000 0.0000000 0.0000000 1.5586330 -0.4125006 0.0000000 -0.5304798 4.9353871 5 Zn 2.0517146 0.0000000 0.0000000 0.0000000 0.6890155 0.0000000 0.0000000 0.0000000 1.8968148 6 Zn 2.0517146 0.0000000 0.0000000 0.0000000 0.6890155 0.0000000 0.0000000 0.0000000 1.8968148 7 Te -3.2859438 0.0000000 0.0000000 0.0000000 -1.5800271 -0.0685541 0.0000000 -0.0839042 -2.3135230 8 Te -3.2859438 0.0000000 0.0000000 0.0000000 -1.5800271 -0.0685541 0.0000000 -0.0839042 -2.3135230 9 Te -3.2859438 0.0000000 0.0000000 0.0000000 -1.5800271 0.0685541 0.0000000 0.0839042 -2.3135230 10 Te -3.2859438 0.0000000 0.0000000 0.0000000 -1.5800271 0.0685541 0.0000000 0.0839042 -2.3135230 11 Te -2.2762378 0.0000000 0.0000000 0.0000000 -1.1090297 0.0000000 0.0000000 0.0000000 -3.5416693 12 Te -2.2762378 0.0000000 0.0000000 0.0000000 -1.1090297 0.0000000 0.0000000 0.0000000 -3.5416693 ---------------------------------------------------------------------------- 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:51:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:51:46]------------------------- 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 2.173953970000000 -8.382851040000000 0.000000000000000 b 2.173953970000000 8.382851040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.485351229999997 Atomic positions (fractional): 1 Cs 0.75286322131180 0.24713677868820 0.25000000000000 132.905 2 Cs 0.24713677868820 0.75286322131180 0.75000000000000 132.905 3 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 4 Dy 0.50000000000000 0.50000000000000 0.00000000000000 162.500 5 Zn 0.03656035889104 0.96343964110896 0.25000000000000 65.380 6 Zn 0.96343964110896 0.03656035889104 0.75000000000000 65.380 7 Te 0.12167894488578 0.87832105511422 0.44232078550483 127.600 8 Te 0.87832105511422 0.12167894488578 0.55767921449517 127.600 9 Te 0.87832105511422 0.12167894488578 0.94232078550483 127.600 10 Te 0.12167894488578 0.87832105511422 0.05767921449517 127.600 11 Te 0.43861138539004 0.56138861460996 0.25000000000000 127.600 12 Te 0.56138861460996 0.43861138539004 0.75000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.043723820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.765702080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 22.970702459999995 Atomic positions (fractional): 1 Cs 0.00000000000000 0.24713677868820 0.12500000000000 132.905 > 1 2 Cs 0.33333333333333 0.24713677868820 0.12500000000000 132.905 > 1 3 Cs 0.66666666666667 0.24713677868820 0.12500000000000 132.905 > 1 4 Cs 0.00000000000000 0.24713677868820 0.62500000000000 132.905 > 1 5 Cs 0.33333333333333 0.24713677868820 0.62500000000000 132.905 > 1 6 Cs 0.66666666666667 0.24713677868820 0.62500000000000 132.905 > 1 7 Cs 0.16666666666667 0.25286322131180 0.37500000000000 132.905 > 7 8 Cs 0.50000000000000 0.25286322131180 0.37500000000000 132.905 > 7 9 Cs 0.83333333333333 0.25286322131180 0.37500000000000 132.905 > 7 10 Cs 0.16666666666667 0.25286322131180 0.87500000000000 132.905 > 7 11 Cs 0.50000000000000 0.25286322131180 0.87500000000000 132.905 > 7 12 Cs 0.83333333333333 0.25286322131180 0.87500000000000 132.905 > 7 13 Cs 0.16666666666667 0.74713677868820 0.12500000000000 132.905 > 1 14 Cs 0.50000000000000 0.74713677868820 0.12500000000000 132.905 > 1 15 Cs 0.83333333333333 0.74713677868820 0.12500000000000 132.905 > 1 16 Cs 0.16666666666667 0.74713677868820 0.62500000000000 132.905 > 1 17 Cs 0.50000000000000 0.74713677868820 0.62500000000000 132.905 > 1 18 Cs 0.83333333333333 0.74713677868820 0.62500000000000 132.905 > 1 19 Cs 0.00000000000000 0.75286322131180 0.37500000000000 132.905 > 7 20 Cs 0.33333333333333 0.75286322131180 0.37500000000000 132.905 > 7 21 Cs 0.66666666666667 0.75286322131180 0.37500000000000 132.905 > 7 22 Cs 0.00000000000000 0.75286322131180 0.87500000000000 132.905 > 7 23 Cs 0.33333333333333 0.75286322131180 0.87500000000000 132.905 > 7 24 Cs 0.66666666666667 0.75286322131180 0.87500000000000 132.905 > 7 25 Dy 0.16666666666667 0.00000000000000 0.25000000000000 162.500 > 25 26 Dy 0.50000000000000 0.00000000000000 0.25000000000000 162.500 > 25 27 Dy 0.83333333333333 0.00000000000000 0.25000000000000 162.500 > 25 28 Dy 0.16666666666667 0.00000000000000 0.75000000000000 162.500 > 25 29 Dy 0.50000000000000 0.00000000000000 0.75000000000000 162.500 > 25 30 Dy 0.83333333333333 0.00000000000000 0.75000000000000 162.500 > 25 31 Dy 0.16666666666667 0.00000000000000 0.00000000000000 162.500 > 31 32 Dy 0.50000000000000 0.00000000000000 0.00000000000000 162.500 > 31 33 Dy 0.83333333333333 0.00000000000000 0.00000000000000 162.500 > 31 34 Dy 0.16666666666667 0.00000000000000 0.50000000000000 162.500 > 31 35 Dy 0.50000000000000 0.00000000000000 0.50000000000000 162.500 > 31 36 Dy 0.83333333333333 0.00000000000000 0.50000000000000 162.500 > 31 37 Dy 0.00000000000000 0.50000000000000 0.25000000000000 162.500 > 25 38 Dy 0.33333333333333 0.50000000000000 0.25000000000000 162.500 > 25 39 Dy 0.66666666666667 0.50000000000000 0.25000000000000 162.500 > 25 40 Dy 0.00000000000000 0.50000000000000 0.75000000000000 162.500 > 25 41 Dy 0.33333333333333 0.50000000000000 0.75000000000000 162.500 > 25 42 Dy 0.66666666666667 0.50000000000000 0.75000000000000 162.500 > 25 43 Dy 0.00000000000000 0.50000000000000 0.00000000000000 162.500 > 31 44 Dy 0.33333333333333 0.50000000000000 0.00000000000000 162.500 > 31 45 Dy 0.66666666666667 0.50000000000000 0.00000000000000 162.500 > 31 46 Dy 0.00000000000000 0.50000000000000 0.50000000000000 162.500 > 31 47 Dy 0.33333333333333 0.50000000000000 0.50000000000000 162.500 > 31 48 Dy 0.66666666666667 0.50000000000000 0.50000000000000 162.500 > 31 49 Zn 0.16666666666667 0.46343964110896 0.12500000000000 65.380 > 49 50 Zn 0.50000000000000 0.46343964110896 0.12500000000000 65.380 > 49 51 Zn 0.83333333333333 0.46343964110896 0.12500000000000 65.380 > 49 52 Zn 0.16666666666667 0.46343964110896 0.62500000000000 65.380 > 49 53 Zn 0.50000000000000 0.46343964110896 0.62500000000000 65.380 > 49 54 Zn 0.83333333333333 0.46343964110896 0.62500000000000 65.380 > 49 55 Zn 0.00000000000000 0.03656035889104 0.37500000000000 65.380 > 55 56 Zn 0.33333333333333 0.03656035889104 0.37500000000000 65.380 > 55 57 Zn 0.66666666666667 0.03656035889104 0.37500000000000 65.380 > 55 58 Zn 0.00000000000000 0.03656035889104 0.87500000000000 65.380 > 55 59 Zn 0.33333333333333 0.03656035889104 0.87500000000000 65.380 > 55 60 Zn 0.66666666666667 0.03656035889104 0.87500000000000 65.380 > 55 61 Zn 0.00000000000000 0.96343964110896 0.12500000000000 65.380 > 49 62 Zn 0.33333333333333 0.96343964110896 0.12500000000000 65.380 > 49 63 Zn 0.66666666666667 0.96343964110896 0.12500000000000 65.380 > 49 64 Zn 0.00000000000000 0.96343964110896 0.62500000000000 65.380 > 49 65 Zn 0.33333333333333 0.96343964110896 0.62500000000000 65.380 > 49 66 Zn 0.66666666666667 0.96343964110896 0.62500000000000 65.380 > 49 67 Zn 0.16666666666667 0.53656035889104 0.37500000000000 65.380 > 55 68 Zn 0.50000000000000 0.53656035889104 0.37500000000000 65.380 > 55 69 Zn 0.83333333333333 0.53656035889104 0.37500000000000 65.380 > 55 70 Zn 0.16666666666667 0.53656035889104 0.87500000000000 65.380 > 55 71 Zn 0.50000000000000 0.53656035889104 0.87500000000000 65.380 > 55 72 Zn 0.83333333333333 0.53656035889104 0.87500000000000 65.380 > 55 73 Te 0.16666666666667 0.37832105511422 0.22116039275242 127.600 > 73 74 Te 0.50000000000000 0.37832105511422 0.22116039275242 127.600 > 73 75 Te 0.83333333333333 0.37832105511422 0.22116039275242 127.600 > 73 76 Te 0.16666666666667 0.37832105511422 0.72116039275242 127.600 > 73 77 Te 0.50000000000000 0.37832105511422 0.72116039275242 127.600 > 73 78 Te 0.83333333333333 0.37832105511422 0.72116039275242 127.600 > 73 79 Te 0.00000000000000 0.12167894488578 0.27883960724758 127.600 > 79 80 Te 0.33333333333333 0.12167894488578 0.27883960724758 127.600 > 79 81 Te 0.66666666666667 0.12167894488578 0.27883960724758 127.600 > 79 82 Te 0.00000000000000 0.12167894488578 0.77883960724758 127.600 > 79 83 Te 0.33333333333333 0.12167894488578 0.77883960724758 127.600 > 79 84 Te 0.66666666666667 0.12167894488578 0.77883960724758 127.600 > 79 85 Te 0.00000000000000 0.12167894488578 0.47116039275242 127.600 > 85 86 Te 0.33333333333333 0.12167894488578 0.47116039275242 127.600 > 85 87 Te 0.66666666666667 0.12167894488578 0.47116039275242 127.600 > 85 88 Te 0.00000000000000 0.12167894488578 0.97116039275242 127.600 > 85 89 Te 0.33333333333333 0.12167894488578 0.97116039275242 127.600 > 85 90 Te 0.66666666666667 0.12167894488578 0.97116039275242 127.600 > 85 91 Te 0.16666666666667 0.37832105511422 0.02883960724758 127.600 > 91 92 Te 0.50000000000000 0.37832105511422 0.02883960724758 127.600 > 91 93 Te 0.83333333333333 0.37832105511422 0.02883960724758 127.600 > 91 94 Te 0.16666666666667 0.37832105511422 0.52883960724758 127.600 > 91 95 Te 0.50000000000000 0.37832105511422 0.52883960724758 127.600 > 91 96 Te 0.83333333333333 0.37832105511422 0.52883960724758 127.600 > 91 97 Te 0.16666666666667 0.06138861460996 0.12500000000000 127.600 > 97 98 Te 0.50000000000000 0.06138861460996 0.12500000000000 127.600 > 97 99 Te 0.83333333333333 0.06138861460996 0.12500000000000 127.600 > 97 100 Te 0.16666666666667 0.06138861460996 0.62500000000000 127.600 > 97 101 Te 0.50000000000000 0.06138861460996 0.62500000000000 127.600 > 97 102 Te 0.83333333333333 0.06138861460996 0.62500000000000 127.600 > 97 103 Te 0.00000000000000 0.43861138539004 0.37500000000000 127.600 > 103 104 Te 0.33333333333333 0.43861138539004 0.37500000000000 127.600 > 103 105 Te 0.66666666666667 0.43861138539004 0.37500000000000 127.600 > 103 106 Te 0.00000000000000 0.43861138539004 0.87500000000000 127.600 > 103 107 Te 0.33333333333333 0.43861138539004 0.87500000000000 127.600 > 103 108 Te 0.66666666666667 0.43861138539004 0.87500000000000 127.600 > 103 109 Te 0.00000000000000 0.87832105511422 0.22116039275242 127.600 > 73 110 Te 0.33333333333333 0.87832105511422 0.22116039275242 127.600 > 73 111 Te 0.66666666666667 0.87832105511422 0.22116039275242 127.600 > 73 112 Te 0.00000000000000 0.87832105511422 0.72116039275242 127.600 > 73 113 Te 0.33333333333333 0.87832105511422 0.72116039275242 127.600 > 73 114 Te 0.66666666666667 0.87832105511422 0.72116039275242 127.600 > 73 115 Te 0.16666666666667 0.62167894488578 0.27883960724758 127.600 > 79 116 Te 0.50000000000000 0.62167894488578 0.27883960724758 127.600 > 79 117 Te 0.83333333333333 0.62167894488578 0.27883960724758 127.600 > 79 118 Te 0.16666666666667 0.62167894488578 0.77883960724758 127.600 > 79 119 Te 0.50000000000000 0.62167894488578 0.77883960724758 127.600 > 79 120 Te 0.83333333333333 0.62167894488578 0.77883960724758 127.600 > 79 121 Te 0.16666666666667 0.62167894488578 0.47116039275242 127.600 > 85 122 Te 0.50000000000000 0.62167894488578 0.47116039275242 127.600 > 85 123 Te 0.83333333333333 0.62167894488578 0.47116039275242 127.600 > 85 124 Te 0.16666666666667 0.62167894488578 0.97116039275242 127.600 > 85 125 Te 0.50000000000000 0.62167894488578 0.97116039275242 127.600 > 85 126 Te 0.83333333333333 0.62167894488578 0.97116039275242 127.600 > 85 127 Te 0.00000000000000 0.87832105511422 0.02883960724758 127.600 > 91 128 Te 0.33333333333333 0.87832105511422 0.02883960724758 127.600 > 91 129 Te 0.66666666666667 0.87832105511422 0.02883960724758 127.600 > 91 130 Te 0.00000000000000 0.87832105511422 0.52883960724758 127.600 > 91 131 Te 0.33333333333333 0.87832105511422 0.52883960724758 127.600 > 91 132 Te 0.66666666666667 0.87832105511422 0.52883960724758 127.600 > 91 133 Te 0.00000000000000 0.56138861460996 0.12500000000000 127.600 > 97 134 Te 0.33333333333333 0.56138861460996 0.12500000000000 127.600 > 97 135 Te 0.66666666666667 0.56138861460996 0.12500000000000 127.600 > 97 136 Te 0.00000000000000 0.56138861460996 0.62500000000000 127.600 > 97 137 Te 0.33333333333333 0.56138861460996 0.62500000000000 127.600 > 97 138 Te 0.66666666666667 0.56138861460996 0.62500000000000 127.600 > 97 139 Te 0.16666666666667 0.93861138539004 0.37500000000000 127.600 > 103 140 Te 0.50000000000000 0.93861138539004 0.37500000000000 127.600 > 103 141 Te 0.83333333333333 0.93861138539004 0.37500000000000 127.600 > 103 142 Te 0.16666666666667 0.93861138539004 0.87500000000000 127.600 > 103 143 Te 0.50000000000000 0.93861138539004 0.87500000000000 127.600 > 103 144 Te 0.83333333333333 0.93861138539004 0.87500000000000 127.600 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.4723913 0.0000000 0.0000000 0.0000000 5.3259456 0.0000000 0.0000000 0.0000000 8.3102209 -------------------------- Born effective charges -------------------------- 1 Cs 1.2773950 0.0000000 0.0000000 0.0000000 2.0214355 0.0000000 0.0000000 0.0000000 1.3365133 2 Cs 1.2773950 0.0000000 0.0000000 0.0000000 2.0214355 0.0000000 0.0000000 0.0000000 1.3365133 3 Dy 5.5190158 0.0000000 0.0000000 0.0000000 1.5586330 0.4125006 0.0000000 0.5304798 4.9353871 4 Dy 5.5190158 0.0000000 0.0000000 0.0000000 1.5586330 -0.4125006 0.0000000 -0.5304798 4.9353871 5 Zn 2.0517146 0.0000000 0.0000000 0.0000000 0.6890155 0.0000000 0.0000000 0.0000000 1.8968148 6 Zn 2.0517146 0.0000000 0.0000000 0.0000000 0.6890155 0.0000000 0.0000000 0.0000000 1.8968148 7 Te -3.2859438 0.0000000 0.0000000 0.0000000 -1.5800271 -0.0685541 0.0000000 -0.0839042 -2.3135230 8 Te -3.2859438 0.0000000 0.0000000 0.0000000 -1.5800271 -0.0685541 0.0000000 -0.0839042 -2.3135230 9 Te -3.2859438 0.0000000 0.0000000 0.0000000 -1.5800271 0.0685541 0.0000000 0.0839042 -2.3135230 10 Te -3.2859438 0.0000000 0.0000000 0.0000000 -1.5800271 0.0685541 0.0000000 0.0839042 -2.3135230 11 Te -2.2762378 0.0000000 0.0000000 0.0000000 -1.1090297 0.0000000 0.0000000 0.0000000 -3.5416693 12 Te -2.2762378 0.0000000 0.0000000 0.0000000 -1.1090297 0.0000000 0.0000000 0.0000000 -3.5416693 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 4 ] 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: 0.56, Number of G-points: 307, Lambda: 0.16 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: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-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 0.712 ( 0.000 0.000 0.000) 0.000 1.076 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 0.000) 0.000 1.278 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.665 ( 0.000 0.000 0.000) 0.000 1.686 ( 0.000 0.000 0.000) 0.000 1.766 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 2.741 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.679 ( 0.000 0.000 0.000) 0.000 3.714 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.886 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 5.494 ( 0.000 0.000 0.000) 0.000 5.538 ( 0.000 0.000 0.000) 0.000 5.596 ( 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: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( 15.753 1.531 0.000) 15.828 0.313 ( 15.932 -0.471 0.000) 15.939 0.533 ( 25.337 -6.034 0.000) 26.046 0.768 ( 5.427 -0.004 0.000) 5.427 1.042 ( -2.300 0.752 0.000) 2.420 1.209 ( 1.986 -0.152 0.000) 1.992 1.305 ( 3.252 0.904 0.000) 3.376 1.406 ( 10.325 1.838 0.000) 10.487 1.518 ( 0.700 1.948 0.000) 2.070 1.632 ( -3.467 -0.995 0.000) 3.607 1.671 ( 1.622 1.396 0.000) 2.140 1.702 ( 0.812 -1.562 0.000) 1.760 1.744 ( -2.113 0.029 0.000) 2.113 1.796 ( 5.438 4.173 0.000) 6.855 1.810 ( -0.051 0.013 0.000) 0.052 1.891 ( 6.074 -3.274 0.000) 6.900 1.942 ( -0.634 -2.532 0.000) 2.610 2.780 ( 3.813 -0.053 0.000) 3.813 2.791 ( -2.857 -0.406 0.000) 2.885 2.964 ( 4.114 -0.048 0.000) 4.114 3.037 ( 0.271 -0.044 0.000) 0.274 3.268 ( 6.143 0.024 0.000) 6.143 3.325 ( -4.139 0.088 0.000) 4.139 3.567 ( -1.814 0.186 0.000) 1.824 3.640 ( 3.201 1.910 0.000) 3.727 3.657 ( -2.247 0.099 0.000) 2.249 3.722 ( 1.948 0.080 0.000) 1.949 3.875 ( 1.864 -0.079 0.000) 1.866 3.955 ( -0.994 0.219 0.000) 1.018 4.011 ( -1.406 0.035 0.000) 1.407 4.195 ( -1.179 1.558 0.000) 1.954 4.611 ( -0.199 11.322 0.000) 11.324 4.914 ( -0.281 1.018 0.000) 1.056 5.453 ( -6.081 -3.486 0.000) 7.009 5.540 ( 0.499 1.553 0.000) 1.631 5.580 ( -1.910 -1.449 0.000) 2.397 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 16.534 3.432 0.000) 16.886 0.609 ( 14.424 -0.576 0.000) 14.436 0.899 ( 7.593 -0.004 0.000) 7.593 1.005 ( -0.477 1.682 0.000) 1.748 1.009 ( 20.529 -5.300 0.000) 21.202 1.253 ( 2.400 -0.553 0.000) 2.462 1.403 ( 8.036 2.575 0.000) 8.438 1.493 ( -1.409 4.187 0.000) 4.418 1.543 ( -4.536 -0.430 0.000) 4.557 1.618 ( 6.200 0.629 0.000) 6.232 1.693 ( 1.449 2.313 0.000) 2.729 1.715 ( 3.070 -0.185 0.000) 3.076 1.716 ( -0.928 -4.530 0.000) 4.624 1.810 ( 0.192 0.222 0.000) 0.293 1.898 ( 3.235 1.313 0.000) 3.492 1.971 ( 6.698 -1.241 0.000) 6.812 2.087 ( 10.843 -2.057 0.000) 11.036 2.739 ( -2.315 -0.551 0.000) 2.380 2.867 ( 4.578 -0.079 0.000) 4.579 3.033 ( -0.528 -0.084 0.000) 0.534 3.064 ( 5.465 -0.433 0.000) 5.482 3.246 ( -3.592 -0.037 0.000) 3.592 3.420 ( 8.704 0.075 0.000) 8.705 3.525 ( -2.245 0.069 0.000) 2.246 3.596 ( -3.939 0.054 0.000) 3.939 3.642 ( -1.447 0.091 0.000) 1.450 3.810 ( 5.024 1.527 0.000) 5.251 3.844 ( -4.576 -0.507 0.000) 4.604 3.931 ( -1.102 0.290 0.000) 1.140 3.976 ( -2.130 0.092 0.000) 2.132 4.211 ( 3.735 0.587 0.000) 3.781 4.526 ( -4.227 4.830 0.000) 6.419 4.900 ( -0.423 1.875 0.000) 1.922 5.315 ( -9.256 -1.554 0.000) 9.386 5.520 ( -2.357 0.602 0.000) 2.432 5.564 ( 0.286 -0.467 0.000) 0.548 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 10.792 -0.350 0.000) 10.798 0.867 ( 14.509 5.577 0.000) 15.544 0.996 ( 2.639 2.102 0.000) 3.374 1.056 ( 5.834 -1.304 0.000) 5.978 1.296 ( 5.227 -0.588 0.000) 5.260 1.360 ( 10.188 -4.202 0.000) 11.021 1.444 ( -1.170 3.201 0.000) 3.408 1.445 ( -4.954 -0.831 0.000) 5.023 1.524 ( 3.273 6.237 0.000) 7.044 1.589 ( -4.207 -1.374 0.000) 4.426 1.703 ( -0.525 0.249 0.000) 0.581 1.783 ( 9.654 -5.846 0.000) 11.286 1.811 ( 0.580 0.612 0.000) 0.843 1.923 ( -0.184 -2.228 0.000) 2.235 1.925 ( 12.492 1.109 0.000) 12.541 2.154 ( 9.703 -1.412 0.000) 9.805 2.283 ( 7.631 -0.477 0.000) 7.646 2.715 ( -0.421 -0.176 0.000) 0.456 2.933 ( 1.766 0.036 0.000) 1.767 3.030 ( 0.621 -0.064 0.000) 0.624 3.141 ( 1.257 -0.303 0.000) 1.293 3.207 ( 0.082 -0.276 0.000) 0.288 3.490 ( -0.958 0.045 0.000) 0.959 3.519 ( -3.627 -0.099 0.000) 3.629 3.569 ( 6.317 0.061 0.000) 6.317 3.609 ( -1.777 0.106 0.000) 1.780 3.701 ( -6.892 0.178 0.000) 6.894 3.913 ( 3.945 0.841 0.000) 4.034 3.915 ( -0.399 0.184 0.000) 0.439 3.935 ( -1.969 0.101 0.000) 1.971 4.300 ( 5.016 0.493 0.000) 5.040 4.414 ( -5.267 2.048 0.000) 5.651 4.879 ( -0.631 2.261 0.000) 2.347 5.128 ( -10.525 -1.024 0.000) 10.575 5.466 ( -2.994 -0.582 0.000) 3.050 5.579 ( 1.088 0.664 0.000) 1.275 ======================= Grid point 4 (5/129) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 2.472 0.951 0.000) 2.648 1.057 ( 7.636 6.438 0.000) 9.988 1.066 ( 3.310 -0.790 0.000) 3.403 1.137 ( 2.369 -0.922 0.000) 2.542 1.378 ( 3.110 2.494 0.000) 3.987 1.406 ( 1.502 -0.073 0.000) 1.504 1.414 ( -2.407 -1.737 0.000) 2.969 1.476 ( 5.226 3.334 0.000) 6.199 1.518 ( -3.734 -2.158 0.000) 4.313 1.606 ( 6.023 -0.901 0.000) 6.090 1.683 ( 0.526 -1.517 0.000) 1.605 1.818 ( 0.361 0.413 0.000) 0.548 1.903 ( -3.456 -3.720 0.000) 5.078 2.066 ( 13.928 -2.755 0.000) 14.198 2.121 ( 7.891 1.021 0.000) 7.957 2.312 ( 4.446 -0.910 0.000) 4.538 2.363 ( 1.625 -0.764 0.000) 1.796 2.720 ( 0.887 0.227 0.000) 0.916 2.927 ( -2.100 0.214 0.000) 2.111 3.071 ( 3.817 0.085 0.000) 3.818 3.104 ( -4.035 -0.281 0.000) 4.044 3.262 ( 5.004 -0.367 0.000) 5.018 3.472 ( -1.299 -0.176 0.000) 1.311 3.503 ( 2.222 0.373 0.000) 2.253 3.576 ( -1.504 0.533 0.000) 1.596 3.604 ( -3.174 0.138 0.000) 3.177 3.655 ( 2.787 -0.049 0.000) 2.788 3.903 ( -1.296 0.020 0.000) 1.297 3.911 ( -0.270 0.023 0.000) 0.271 3.948 ( 0.081 0.411 0.000) 0.419 4.318 ( -3.819 0.621 0.000) 3.869 4.386 ( 4.146 0.389 0.000) 4.164 4.853 ( -1.031 2.020 0.000) 2.268 4.936 ( -9.551 -0.788 0.000) 9.583 5.418 ( -2.264 -0.713 0.000) 2.374 5.596 ( 0.934 0.713 0.000) 1.175 ======================= Grid point 5 (6/129) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -3.443 -0.755 0.000) 3.525 1.085 ( 0.787 0.141 0.000) 0.800 1.089 ( -0.620 3.918 0.000) 3.967 1.205 ( 3.203 0.115 0.000) 3.205 1.378 ( 1.062 -0.981 0.000) 1.446 1.442 ( 3.589 4.050 0.000) 5.411 1.443 ( -0.495 -0.599 0.000) 0.777 1.500 ( 2.112 -1.288 0.000) 2.474 1.539 ( -1.655 1.408 0.000) 2.173 1.662 ( 5.264 -3.011 0.000) 6.065 1.794 ( 2.965 -0.548 0.000) 3.015 1.819 ( -0.108 0.229 0.000) 0.253 1.849 ( -0.765 -3.155 0.000) 3.246 2.215 ( 2.742 0.544 0.000) 2.796 2.235 ( -0.791 2.081 0.000) 2.226 2.331 ( 3.741 -1.125 0.000) 3.907 2.419 ( 1.566 -2.562 0.000) 3.002 2.741 ( 1.181 0.102 0.000) 1.186 2.874 ( -2.549 0.210 0.000) 2.557 3.040 ( -2.298 -0.655 0.000) 2.390 3.163 ( 4.919 0.187 0.000) 4.923 3.375 ( 5.995 0.140 0.000) 5.996 3.463 ( -0.028 -0.097 0.000) 0.101 3.540 ( -1.039 0.557 0.000) 1.178 3.543 ( 0.140 0.816 0.000) 0.828 3.574 ( 0.217 -0.334 0.000) 0.398 3.684 ( 0.505 -0.122 0.000) 0.519 3.885 ( -0.574 -0.042 0.000) 0.576 3.900 ( -0.718 -0.048 0.000) 0.720 3.930 ( -1.245 -0.041 0.000) 1.245 4.260 ( -2.149 0.126 0.000) 2.152 4.458 ( 3.565 0.270 0.000) 3.575 4.765 ( -6.976 -0.391 0.000) 6.987 4.838 ( -0.871 1.073 0.000) 1.382 5.388 ( -1.159 -0.454 0.000) 1.245 5.607 ( 0.494 0.420 0.000) 0.649 ======================= Grid point 6 (7/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 -0.000 0.000) 0.000 1.061 ( 0.000 -0.000 0.000) 0.000 1.096 ( 0.000 -0.000 0.000) 0.000 1.236 ( 0.000 -0.000 0.000) 0.000 1.431 ( -0.000 0.000 0.000) 0.000 1.432 ( 0.000 -0.000 0.000) 0.000 1.441 ( 0.000 -0.000 0.000) 0.000 1.506 ( 0.000 -0.000 0.000) 0.000 1.536 ( 0.000 -0.000 0.000) 0.000 1.729 ( 0.000 -0.000 0.000) 0.000 1.793 ( 0.000 -0.000 0.000) 0.000 1.816 ( 0.000 -0.000 0.000) 0.000 1.894 ( 0.000 -0.000 0.000) 0.000 2.184 ( 0.000 -0.000 0.000) 0.000 2.237 ( 0.000 -0.000 0.000) 0.000 2.379 ( -0.000 -0.000 0.000) 0.000 2.445 ( 0.000 -0.000 0.000) 0.000 2.754 ( 0.000 -0.000 0.000) 0.000 2.847 ( 0.000 -0.000 0.000) 0.000 3.022 ( 0.000 -0.000 0.000) 0.000 3.217 ( 0.000 -0.000 0.000) 0.000 3.457 ( 0.000 -0.000 0.000) 0.000 3.464 ( 0.000 -0.000 0.000) 0.000 3.499 ( 0.000 -0.000 0.000) 0.000 3.544 ( 0.000 -0.000 0.000) 0.000 3.587 ( 0.000 -0.000 0.000) 0.000 3.687 ( 0.000 -0.000 0.000) 0.000 3.880 ( 0.000 -0.000 0.000) 0.000 3.892 ( 0.000 -0.000 0.000) 0.000 3.916 ( 0.000 -0.000 0.000) 0.000 4.237 ( 0.000 -0.000 0.000) 0.000 4.503 ( 0.000 -0.000 0.000) 0.000 4.686 ( 0.000 -0.000 0.000) 0.000 4.828 ( 0.000 -0.000 0.000) 0.000 5.378 ( 0.000 -0.000 0.000) 0.000 5.610 ( 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: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 14.484 -0.000 0.000) 14.484 0.606 ( 16.797 -0.000 0.000) 16.797 0.899 ( 7.669 -0.000 0.000) 7.669 0.980 ( 21.368 -0.000 0.000) 21.368 1.014 ( -0.694 0.000 0.000) 0.694 1.250 ( 2.207 -0.000 0.000) 2.207 1.416 ( 8.256 -0.000 0.000) 8.256 1.519 ( -0.920 0.000 0.000) 0.920 1.541 ( -5.413 0.000 0.000) 5.413 1.621 ( 6.068 -0.000 0.000) 6.068 1.689 ( -1.997 0.000 0.000) 1.997 1.706 ( 1.583 -0.000 0.000) 1.583 1.714 ( 3.853 -0.000 0.000) 3.853 1.811 ( 0.149 -0.000 0.000) 0.149 1.905 ( 1.908 -0.000 0.000) 1.908 1.964 ( 6.830 -0.000 0.000) 6.830 2.076 ( 11.805 -0.000 0.000) 11.805 2.736 ( -2.216 0.000 0.000) 2.216 2.867 ( 4.595 -0.000 0.000) 4.595 3.032 ( -0.524 0.000 0.000) 0.524 3.062 ( 5.465 -0.000 0.000) 5.465 3.245 ( -3.644 0.000 0.000) 3.644 3.420 ( 8.705 -0.000 0.000) 8.705 3.526 ( -2.251 0.000 0.000) 2.251 3.596 ( -3.977 0.000 0.000) 3.977 3.642 ( -1.577 0.000 0.000) 1.577 3.818 ( 6.195 -0.000 0.000) 6.195 3.840 ( -5.829 0.000 0.000) 5.829 3.933 ( -1.144 0.000 0.000) 1.144 3.976 ( -2.127 0.000 0.000) 2.127 4.214 ( 3.601 -0.000 0.000) 3.601 4.551 ( -5.846 0.000 0.000) 5.846 4.910 ( -0.456 0.000 0.000) 0.456 5.306 ( -8.825 0.000 0.000) 8.825 5.523 ( -3.194 0.000 0.000) 3.194 5.562 ( 1.104 -0.000 0.000) 1.104 ======================= Grid point 15 (9/129) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 11.136 -0.106 0.000) 11.136 0.910 ( 14.918 2.543 0.000) 15.133 1.015 ( 1.794 1.524 0.000) 2.354 1.042 ( 5.801 -1.240 0.000) 5.932 1.295 ( 6.015 0.697 0.000) 6.056 1.316 ( 8.938 -3.617 0.000) 9.642 1.439 ( -4.620 -0.310 0.000) 4.631 1.472 ( -0.288 1.596 0.000) 1.622 1.579 ( -4.499 -0.487 0.000) 4.525 1.594 ( 1.882 7.606 0.000) 7.835 1.671 ( 1.903 -6.542 0.000) 6.813 1.755 ( 8.336 -0.068 0.000) 8.336 1.815 ( 0.386 0.222 0.000) 0.445 1.903 ( -1.493 -1.372 0.000) 2.028 1.933 ( 12.547 0.388 0.000) 12.553 2.144 ( 9.822 -0.460 0.000) 9.833 2.279 ( 7.985 -0.203 0.000) 7.987 2.714 ( -0.195 -0.058 0.000) 0.203 2.933 ( 1.831 0.013 0.000) 1.831 3.030 ( 0.657 -0.024 0.000) 0.658 3.139 ( 1.414 -0.096 0.000) 1.417 3.205 ( 0.018 -0.101 0.000) 0.103 3.490 ( -0.940 0.028 0.000) 0.941 3.518 ( -3.673 -0.037 0.000) 3.673 3.569 ( 6.286 0.023 0.000) 6.286 3.609 ( -1.673 0.031 0.000) 1.673 3.702 ( -6.918 0.067 0.000) 6.919 3.917 ( -0.475 0.067 0.000) 0.480 3.919 ( 3.798 0.283 0.000) 3.809 3.935 ( -1.994 0.037 0.000) 1.994 4.303 ( 4.954 0.180 0.000) 4.957 4.428 ( -6.206 0.719 0.000) 6.248 4.896 ( -0.789 0.936 0.000) 1.224 5.120 ( -10.355 -0.441 0.000) 10.365 5.462 ( -3.085 -0.199 0.000) 3.091 5.584 ( 1.141 0.229 0.000) 1.164 ======================= Grid point 16 (10/129) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 2.145 0.776 0.000) 2.281 1.057 ( 2.225 -0.861 0.000) 2.386 1.113 ( 6.861 4.485 0.000) 8.197 1.131 ( 3.710 -0.292 0.000) 3.722 1.385 ( 3.177 -0.578 0.000) 3.229 1.392 ( 0.343 -1.967 0.000) 1.997 1.405 ( 1.657 -0.043 0.000) 1.657 1.501 ( -3.812 -1.276 0.000) 4.020 1.527 ( 3.196 5.885 0.000) 6.697 1.604 ( 6.642 -0.230 0.000) 6.646 1.667 ( -1.221 -1.455 0.000) 1.899 1.821 ( 0.257 0.225 0.000) 0.341 1.862 ( -4.139 -3.922 0.000) 5.702 2.044 ( 15.622 -1.492 0.000) 15.693 2.129 ( 7.670 0.573 0.000) 7.691 2.306 ( 5.700 -0.388 0.000) 5.713 2.357 ( 0.416 -0.391 0.000) 0.571 2.722 ( 0.899 0.137 0.000) 0.910 2.929 ( -2.065 0.122 0.000) 2.068 3.072 ( 3.888 0.050 0.000) 3.888 3.102 ( -4.246 -0.181 0.000) 4.249 3.259 ( 5.152 -0.221 0.000) 5.156 3.470 ( -1.281 -0.102 0.000) 1.286 3.507 ( 2.468 0.274 0.000) 2.483 3.580 ( -1.418 0.265 0.000) 1.442 3.605 ( -3.260 0.071 0.000) 3.261 3.654 ( 2.739 -0.028 0.000) 2.739 3.903 ( -1.338 0.011 0.000) 1.338 3.911 ( -0.328 0.013 0.000) 0.328 3.951 ( -0.188 0.227 0.000) 0.294 4.323 ( -4.239 0.346 0.000) 4.253 4.389 ( 4.088 0.220 0.000) 4.093 4.871 ( -1.293 1.430 0.000) 1.928 4.928 ( -9.507 -0.700 0.000) 9.533 5.412 ( -2.173 -0.389 0.000) 2.208 5.601 ( 0.815 0.389 0.000) 0.903 ======================= Grid point 17 (11/129) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -3.312 -0.234 0.000) 3.321 1.083 ( 0.769 -0.416 0.000) 0.874 1.125 ( -2.198 3.168 0.000) 3.856 1.207 ( 3.229 0.231 0.000) 3.238 1.368 ( 0.049 -0.891 0.000) 0.893 1.441 ( -0.675 0.109 0.000) 0.684 1.475 ( 4.169 2.612 0.000) 4.919 1.486 ( 2.990 -1.421 0.000) 3.310 1.564 ( -2.501 3.083 0.000) 3.970 1.639 ( 5.161 -1.705 0.000) 5.435 1.781 ( 1.478 -1.888 0.000) 2.398 1.813 ( 2.415 -3.618 0.000) 4.350 1.821 ( -0.194 0.168 0.000) 0.257 2.220 ( 2.481 0.390 0.000) 2.512 2.261 ( 0.245 3.087 0.000) 3.096 2.320 ( 4.631 -0.916 0.000) 4.721 2.392 ( 1.016 -2.804 0.000) 2.982 2.742 ( 1.073 0.025 0.000) 1.073 2.876 ( -2.613 0.154 0.000) 2.618 3.034 ( -2.199 -0.470 0.000) 2.248 3.164 ( 4.895 0.135 0.000) 4.897 3.376 ( 6.217 0.109 0.000) 6.218 3.462 ( 0.027 -0.069 0.000) 0.075 3.545 ( -1.942 0.406 0.000) 1.984 3.550 ( 0.491 0.548 0.000) 0.736 3.571 ( 0.317 -0.217 0.000) 0.385 3.683 ( 0.515 -0.087 0.000) 0.523 3.885 ( -0.578 -0.032 0.000) 0.579 3.900 ( -0.718 -0.036 0.000) 0.719 3.929 ( -1.325 -0.031 0.000) 1.325 4.261 ( -2.253 0.087 0.000) 2.255 4.461 ( 3.486 0.192 0.000) 3.491 4.762 ( -7.006 -0.252 0.000) 7.011 4.847 ( -1.190 0.761 0.000) 1.412 5.384 ( -0.969 -0.322 0.000) 1.021 5.610 ( 0.308 0.298 0.000) 0.429 ======================= Grid point 18 (12/129) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.915 0.892 0.000) 1.277 1.066 ( -1.720 0.923 0.000) 1.952 1.088 ( -0.750 -1.404 0.000) 1.591 1.237 ( -0.013 0.202 0.000) 0.202 1.399 ( 0.936 -3.539 0.000) 3.660 1.438 ( 0.937 1.008 0.000) 1.376 1.470 ( -4.025 2.885 0.000) 4.952 1.514 ( 0.415 1.514 0.000) 1.570 1.532 ( 0.294 -0.690 0.000) 0.750 1.717 ( 2.519 -2.360 0.000) 3.452 1.794 ( 0.422 0.515 0.000) 0.666 1.816 ( -0.116 0.034 0.000) 0.121 1.889 ( 0.432 -0.998 0.000) 1.087 2.198 ( -0.548 2.601 0.000) 2.659 2.237 ( -0.271 -0.001 0.000) 0.271 2.371 ( -0.780 -1.530 0.000) 1.718 2.445 ( 2.292 0.136 0.000) 2.296 2.754 ( -0.050 -0.070 0.000) 0.085 2.847 ( -0.125 0.002 0.000) 0.125 3.022 ( 0.499 0.072 0.000) 0.504 3.217 ( -0.143 -0.010 0.000) 0.144 3.457 ( -0.556 -0.029 0.000) 0.557 3.464 ( 0.046 0.008 0.000) 0.047 3.500 ( 0.124 0.196 0.000) 0.232 3.542 ( -0.515 -0.351 0.000) 0.623 3.588 ( 0.159 0.179 0.000) 0.239 3.687 ( 0.097 0.004 0.000) 0.097 3.880 ( 0.033 -0.005 0.000) 0.033 3.892 ( 0.037 -0.001 0.000) 0.037 3.916 ( 0.073 0.002 0.000) 0.073 4.237 ( -0.042 -0.002 0.000) 0.042 4.503 ( -0.216 -0.023 0.000) 0.218 4.686 ( 0.336 0.032 0.000) 0.338 4.828 ( -0.613 -0.006 0.000) 0.613 5.378 ( 0.242 0.000 0.000) 0.242 5.610 ( -0.218 0.000 0.000) 0.218 ======================= Grid point 19 (13/129) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 3.046 1.383 0.000) 3.345 1.052 ( -1.452 -3.343 0.000) 3.644 1.079 ( -0.035 -1.041 0.000) 1.042 1.205 ( -3.181 0.069 0.000) 3.182 1.377 ( -4.424 -2.639 0.000) 5.151 1.407 ( -1.042 -1.244 0.000) 1.623 1.452 ( -0.176 1.232 0.000) 1.244 1.511 ( -0.838 0.765 0.000) 1.134 1.538 ( 1.491 0.944 0.000) 1.765 1.697 ( -4.473 3.923 0.000) 5.949 1.792 ( -2.834 -0.978 0.000) 2.998 1.816 ( -0.019 -0.225 0.000) 0.226 1.869 ( 1.476 0.573 0.000) 1.584 2.210 ( -3.056 -0.557 0.000) 3.106 2.224 ( 0.856 -0.065 0.000) 0.859 2.341 ( -2.165 0.844 0.000) 2.324 2.442 ( -1.722 2.037 0.000) 2.667 2.740 ( -1.289 -0.181 0.000) 1.301 2.872 ( 2.472 -0.210 0.000) 2.481 3.047 ( 2.352 0.669 0.000) 2.445 3.161 ( -4.941 -0.191 0.000) 4.945 3.373 ( -5.763 -0.127 0.000) 5.765 3.464 ( 0.087 0.100 0.000) 0.132 3.533 ( -1.064 -0.816 0.000) 1.341 3.536 ( 1.551 -0.605 0.000) 1.665 3.577 ( -0.310 0.341 0.000) 0.461 3.686 ( -0.494 0.124 0.000) 0.509 3.885 ( 0.572 0.039 0.000) 0.573 3.901 ( 0.719 0.047 0.000) 0.721 3.930 ( 1.149 0.039 0.000) 1.150 4.259 ( 2.022 -0.133 0.000) 2.026 4.456 ( -3.651 -0.280 0.000) 3.662 4.770 ( 6.973 0.483 0.000) 6.990 4.827 ( 0.471 -1.150 0.000) 1.242 5.392 ( 1.395 0.472 0.000) 1.473 5.602 ( -0.726 -0.438 0.000) 0.848 ======================= Grid point 20 (14/129) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -2.677 -0.814 0.000) 2.797 0.991 ( -8.196 -6.589 0.000) 10.516 1.071 ( -4.717 0.285 0.000) 4.726 1.150 ( -0.906 1.561 0.000) 1.805 1.334 ( -2.496 -5.647 0.000) 6.174 1.407 ( -1.279 0.082 0.000) 1.282 1.420 ( 1.595 -0.336 0.000) 1.630 1.470 ( -5.730 1.434 0.000) 5.907 1.541 ( 3.715 2.434 0.000) 4.442 1.626 ( -6.319 3.001 0.000) 6.995 1.695 ( -0.557 0.850 0.000) 1.017 1.813 ( -0.512 -0.519 0.000) 0.729 1.929 ( 2.463 1.320 0.000) 2.794 2.097 ( -11.303 3.504 0.000) 11.834 2.109 ( -8.217 -1.230 0.000) 8.309 2.324 ( -3.036 1.409 0.000) 3.347 2.372 ( -3.255 1.003 0.000) 3.407 2.718 ( -0.824 -0.244 0.000) 0.859 2.924 ( 2.146 -0.251 0.000) 2.161 3.070 ( -3.721 -0.096 0.000) 3.722 3.107 ( 3.764 0.269 0.000) 3.774 3.265 ( -4.806 0.395 0.000) 4.822 3.474 ( 1.323 0.201 0.000) 1.338 3.500 ( -1.853 -0.243 0.000) 1.869 3.569 ( 1.616 -0.768 0.000) 1.789 3.602 ( 3.057 -0.172 0.000) 3.062 3.655 ( -2.854 0.058 0.000) 2.854 3.902 ( 1.239 -0.023 0.000) 1.239 3.910 ( 0.192 -0.026 0.000) 0.194 3.943 ( -0.487 -0.507 0.000) 0.703 4.311 ( 3.229 -0.752 0.000) 3.315 4.382 ( -4.238 -0.462 0.000) 4.263 4.833 ( 0.536 -2.036 0.000) 2.106 4.943 ( 9.788 0.666 0.000) 9.811 5.426 ( 2.422 0.903 0.000) 2.585 5.587 ( -1.131 -0.902 0.000) 1.447 ======================= Grid point 21 (15/129) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -13.438 -5.674 0.000) 14.586 0.863 ( -10.242 0.653 0.000) 10.263 0.975 ( -3.163 -2.100 0.000) 3.796 1.067 ( -6.721 0.921 0.000) 6.784 1.297 ( -4.629 -1.396 0.000) 4.835 1.354 ( -5.982 -4.026 0.000) 7.211 1.454 ( -6.279 3.388 0.000) 7.135 1.455 ( 5.392 1.114 0.000) 5.506 1.474 ( -0.496 -2.303 0.000) 2.356 1.606 ( 3.806 1.992 0.000) 4.296 1.694 ( -2.030 -0.912 0.000) 2.225 1.804 ( -0.884 -0.839 0.000) 1.218 1.845 ( -7.514 5.798 0.000) 9.491 1.911 ( -12.458 -1.660 0.000) 12.568 1.943 ( -1.674 1.792 0.000) 2.452 2.172 ( -9.572 2.160 0.000) 9.813 2.288 ( -7.041 0.454 0.000) 7.055 2.717 ( 0.797 0.282 0.000) 0.846 2.933 ( -1.655 -0.053 0.000) 1.655 3.031 ( -0.558 0.086 0.000) 0.564 3.145 ( -0.879 0.523 0.000) 1.022 3.211 ( -0.214 0.375 0.000) 0.432 3.489 ( 0.943 0.015 0.000) 0.943 3.520 ( 3.548 0.134 0.000) 3.551 3.568 ( -6.371 -0.081 0.000) 6.371 3.607 ( 1.990 -0.195 0.000) 1.999 3.699 ( 6.864 -0.226 0.000) 6.868 3.902 ( -4.282 -1.343 0.000) 4.488 3.913 ( 0.267 -0.251 0.000) 0.366 3.933 ( 1.923 -0.141 0.000) 1.929 4.294 ( -5.119 -0.669 0.000) 5.163 4.389 ( 3.556 -2.970 0.000) 4.633 4.855 ( 0.564 -2.554 0.000) 2.616 5.139 ( 10.769 1.122 0.000) 10.828 5.473 ( 2.831 0.920 0.000) 2.977 5.571 ( -0.989 -1.030 0.000) 1.428 ======================= Grid point 22 (16/129) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -14.803 -2.431 0.000) 15.001 0.617 ( -14.294 0.980 0.000) 14.328 0.899 ( -7.384 -0.019 0.000) 7.384 0.982 ( -0.143 -2.773 0.000) 2.777 1.068 ( -18.482 5.662 0.000) 19.330 1.258 ( -2.859 0.275 0.000) 2.872 1.367 ( -6.445 -4.383 0.000) 7.795 1.455 ( 0.223 -2.892 0.000) 2.901 1.549 ( 2.068 0.603 0.000) 2.154 1.609 ( -6.249 -1.061 0.000) 6.338 1.665 ( -1.301 -3.109 0.000) 3.370 1.717 ( -1.217 0.378 0.000) 1.274 1.761 ( -1.301 3.957 0.000) 4.165 1.806 ( -0.235 -0.442 0.000) 0.501 1.883 ( -4.961 -1.325 0.000) 5.135 1.986 ( -6.901 1.767 0.000) 7.123 2.113 ( -8.940 2.982 0.000) 9.424 2.746 ( 2.564 0.929 0.000) 2.727 2.868 ( -4.531 0.134 0.000) 4.533 3.034 ( 0.537 0.146 0.000) 0.556 3.071 ( -5.458 0.974 0.000) 5.545 3.246 ( 3.437 0.004 0.000) 3.437 3.419 ( -8.701 -0.126 0.000) 8.702 3.524 ( 2.223 -0.119 0.000) 2.227 3.595 ( 3.829 -0.102 0.000) 3.830 3.640 ( 0.895 -0.349 0.000) 0.961 3.791 ( -4.908 -2.083 0.000) 5.332 3.847 ( 4.364 0.222 0.000) 4.370 3.927 ( 0.988 -0.500 0.000) 1.108 3.974 ( 2.133 -0.167 0.000) 2.140 4.203 ( -4.082 -0.980 0.000) 4.198 4.460 ( 0.298 -8.210 0.000) 8.216 4.880 ( 0.878 -1.924 0.000) 2.115 5.333 ( 10.008 1.962 0.000) 10.199 5.512 ( 0.852 -0.885 0.000) 1.229 5.570 ( 1.164 0.655 0.000) 1.335 ======================= Grid point 23 (17/129) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( -12.000 3.328 0.000) 12.452 0.322 ( -15.633 1.183 0.000) 15.677 0.625 ( -22.048 10.961 0.000) 24.622 0.768 ( -5.463 -0.074 0.000) 5.464 1.027 ( 2.854 -2.134 0.000) 3.564 1.212 ( -1.998 0.281 0.000) 2.018 1.289 ( -2.945 -2.114 0.000) 3.626 1.376 ( -11.019 -3.803 0.000) 11.657 1.484 ( 0.118 -4.376 0.000) 4.378 1.645 ( 3.264 1.112 0.000) 3.449 1.648 ( -1.848 -3.197 0.000) 3.693 1.714 ( -2.749 -1.059 0.000) 2.946 1.746 ( 1.842 0.492 0.000) 1.906 1.756 ( -6.836 -1.691 0.000) 7.042 1.809 ( 0.251 -0.072 0.000) 0.262 1.927 ( -1.211 3.546 0.000) 3.748 1.983 ( 0.432 5.119 0.000) 5.137 2.782 ( -3.816 0.145 0.000) 3.819 2.798 ( 2.858 1.038 0.000) 3.040 2.965 ( -4.367 0.193 0.000) 4.371 3.038 ( -0.270 0.122 0.000) 0.296 3.268 ( -6.123 -0.064 0.000) 6.124 3.323 ( 3.960 -0.317 0.000) 3.973 3.561 ( -0.490 -1.447 0.000) 1.528 3.602 ( -6.266 -5.246 0.000) 8.172 3.655 ( 2.188 -0.281 0.000) 2.206 3.722 ( -0.784 0.336 0.000) 0.853 3.876 ( -1.887 0.181 0.000) 1.896 3.951 ( 0.944 -0.594 0.000) 1.115 4.011 ( 1.420 -0.104 0.000) 1.424 4.164 ( -3.433 -4.831 0.000) 5.927 4.448 ( -9.500 -17.311 0.000) 19.746 4.906 ( 1.152 -0.405 0.000) 1.221 5.496 ( 8.765 4.214 0.000) 9.725 5.520 ( -0.435 -2.262 0.000) 2.303 5.598 ( 1.821 1.983 0.000) 2.692 ======================= Grid point 24 (18/129) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.050 ( -0.000 4.762 0.000) 4.762 0.147 ( -0.000 14.588 0.000) 14.588 0.203 ( -0.000 20.176 0.000) 20.176 0.712 ( 0.000 -0.040 0.000) 0.040 1.075 ( 0.000 -0.098 0.000) 0.098 1.188 ( -0.000 0.266 0.000) 0.266 1.273 ( 0.000 -0.991 0.000) 0.991 1.274 ( 0.000 -4.683 0.000) 4.683 1.495 ( 0.000 -2.239 0.000) 2.239 1.635 ( 0.000 -0.961 0.000) 0.961 1.673 ( -0.000 1.212 0.000) 1.212 1.692 ( -0.000 1.176 0.000) 1.176 1.700 ( 0.000 -9.182 0.000) 9.182 1.764 ( 0.000 -0.252 0.000) 0.252 1.812 ( -0.000 0.263 0.000) 0.263 1.883 ( -0.000 7.794 0.000) 7.794 2.258 ( 0.000 -2.596 0.000) 2.596 2.741 ( -0.000 0.094 0.000) 0.094 2.821 ( -0.000 0.140 0.000) 0.140 2.923 ( 0.000 -0.092 0.000) 0.092 3.024 ( -0.000 0.149 0.000) 0.149 3.030 ( -0.000 0.090 0.000) 0.090 3.209 ( 0.000 -0.025 0.000) 0.025 3.375 ( 0.000 -0.136 0.000) 0.136 3.603 ( 0.000 -0.378 0.000) 0.378 3.678 ( 0.000 -0.255 0.000) 0.255 3.719 ( -0.000 0.843 0.000) 0.843 3.841 ( -0.000 0.036 0.000) 0.036 3.886 ( -0.000 0.027 0.000) 0.027 3.963 ( 0.000 -0.472 0.000) 0.472 4.025 ( 0.000 -0.053 0.000) 0.053 4.326 ( 0.000 -1.481 0.000) 1.481 4.921 ( -0.000 0.259 0.000) 0.259 5.526 ( 0.000 -2.068 0.000) 2.068 5.607 ( -0.000 1.844 0.000) 1.844 5.639 ( -0.000 0.050 0.000) 0.050 ======================= Grid point 27 (19/129) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 1.952 -0.000 0.000) 1.952 1.052 ( 1.928 -0.000 0.000) 1.928 1.130 ( 4.186 -0.000 0.000) 4.186 1.137 ( 6.434 -0.000 0.000) 6.434 1.376 ( -0.930 0.000 0.000) 0.930 1.386 ( 5.610 -0.000 0.000) 5.610 1.405 ( 1.713 -0.000 0.000) 1.713 1.494 ( -3.856 0.000 0.000) 3.856 1.572 ( -0.140 0.000 0.000) 0.140 1.590 ( 9.826 -0.000 0.000) 9.826 1.661 ( -2.132 0.000 0.000) 2.132 1.822 ( 0.220 -0.000 0.000) 0.220 1.839 ( -4.416 0.000 0.000) 4.416 2.037 ( 16.167 -0.000 0.000) 16.167 2.132 ( 7.592 -0.000 0.000) 7.592 2.304 ( 6.201 -0.000 0.000) 6.201 2.355 ( -0.030 0.000 0.000) 0.030 2.723 ( 0.897 -0.000 0.000) 0.897 2.929 ( -2.052 0.000 0.000) 2.052 3.072 ( 3.914 -0.000 0.000) 3.914 3.101 ( -4.325 0.000 0.000) 4.325 3.257 ( 5.206 -0.000 0.000) 5.206 3.470 ( -1.275 0.000 0.000) 1.275 3.508 ( 2.552 -0.000 0.000) 2.552 3.581 ( -1.383 0.000 0.000) 1.383 3.605 ( -3.294 0.000 0.000) 3.294 3.654 ( 2.721 -0.000 0.000) 2.721 3.903 ( -1.354 0.000 0.000) 1.354 3.911 ( -0.349 0.000 0.000) 0.349 3.952 ( -0.281 0.000 0.000) 0.281 4.325 ( -4.389 0.000 0.000) 4.389 4.390 ( 4.068 -0.000 0.000) 4.068 4.879 ( -1.206 0.000 0.000) 1.206 4.924 ( -9.680 0.000 0.000) 9.680 5.410 ( -2.144 0.000 0.000) 2.144 5.603 ( 0.776 -0.000 0.000) 0.776 ======================= Grid point 28 (20/129) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -3.048 -0.016 0.000) 3.048 1.079 ( 0.486 -0.264 0.000) 0.553 1.148 ( -3.069 1.208 0.000) 3.298 1.209 ( 3.240 0.116 0.000) 3.242 1.362 ( -0.188 -0.345 0.000) 0.393 1.443 ( -0.918 0.317 0.000) 0.971 1.474 ( 3.719 -0.783 0.000) 3.801 1.494 ( 5.026 1.090 0.000) 5.143 1.590 ( -3.522 1.850 0.000) 3.978 1.626 ( 2.810 -0.860 0.000) 2.939 1.766 ( 0.066 -0.632 0.000) 0.635 1.783 ( 6.718 -2.101 0.000) 7.038 1.822 ( -0.235 0.061 0.000) 0.243 2.223 ( 2.334 0.141 0.000) 2.339 2.289 ( 2.856 1.959 0.000) 3.463 2.314 ( 3.722 -0.277 0.000) 3.732 2.367 ( 0.129 -1.832 0.000) 1.837 2.742 ( 1.003 -0.001 0.000) 1.003 2.877 ( -2.650 0.056 0.000) 2.650 3.031 ( -2.120 -0.170 0.000) 2.127 3.165 ( 4.880 0.049 0.000) 4.880 3.377 ( 6.354 0.041 0.000) 6.354 3.461 ( 0.061 -0.025 0.000) 0.066 3.548 ( -2.286 0.161 0.000) 2.291 3.554 ( 0.278 0.161 0.000) 0.322 3.570 ( 0.609 -0.058 0.000) 0.612 3.683 ( 0.522 -0.032 0.000) 0.523 3.884 ( -0.581 -0.012 0.000) 0.581 3.900 ( -0.718 -0.013 0.000) 0.718 3.929 ( -1.371 -0.011 0.000) 1.371 4.261 ( -2.311 0.031 0.000) 2.311 4.462 ( 3.439 0.069 0.000) 3.439 4.760 ( -7.023 -0.087 0.000) 7.023 4.853 ( -1.374 0.275 0.000) 1.401 5.381 ( -0.865 -0.116 0.000) 0.873 5.612 ( 0.207 0.107 0.000) 0.233 ======================= Grid point 29 (21/129) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 1.806 1.078 0.000) 2.103 1.072 ( -1.460 -1.543 0.000) 2.124 1.076 ( -2.891 0.987 0.000) 3.055 1.239 ( -0.060 0.167 0.000) 0.177 1.369 ( -0.476 -2.299 0.000) 2.348 1.450 ( 1.724 1.201 0.000) 2.101 1.493 ( -4.808 1.698 0.000) 5.099 1.523 ( 0.383 -0.896 0.000) 0.975 1.533 ( 0.064 2.002 0.000) 2.003 1.687 ( 4.489 -3.289 0.000) 5.564 1.806 ( 1.418 1.657 0.000) 2.181 1.816 ( -0.198 0.034 0.000) 0.201 1.875 ( 0.287 -1.721 0.000) 1.745 2.229 ( -0.801 3.195 0.000) 3.294 2.237 ( -0.469 -0.001 0.000) 0.469 2.351 ( -1.024 -2.212 0.000) 2.438 2.447 ( 3.649 0.127 0.000) 3.652 2.753 ( -0.084 -0.068 0.000) 0.109 2.847 ( -0.217 0.002 0.000) 0.217 3.023 ( 0.864 0.072 0.000) 0.867 3.217 ( -0.248 -0.010 0.000) 0.248 3.457 ( -0.927 -0.027 0.000) 0.928 3.464 ( 0.079 0.008 0.000) 0.080 3.502 ( 0.202 0.225 0.000) 0.302 3.538 ( -0.866 -0.362 0.000) 0.939 3.590 ( 0.227 0.160 0.000) 0.277 3.687 ( 0.168 0.004 0.000) 0.168 3.880 ( 0.057 -0.005 0.000) 0.057 3.892 ( 0.063 -0.001 0.000) 0.063 3.916 ( 0.127 0.002 0.000) 0.127 4.237 ( -0.072 -0.002 0.000) 0.072 4.502 ( -0.374 -0.023 0.000) 0.374 4.687 ( 0.583 0.032 0.000) 0.584 4.828 ( -1.063 -0.006 0.000) 1.063 5.378 ( 0.419 0.000 0.000) 0.419 5.610 ( -0.377 0.000 0.000) 0.377 ======================= Grid point 30 (22/129) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 1.773 1.842 0.000) 2.557 1.025 ( -3.573 -2.017 0.000) 4.103 1.065 ( 1.697 -1.713 0.000) 2.412 1.206 ( -3.157 0.118 0.000) 3.159 1.338 ( -4.391 -3.901 0.000) 5.874 1.410 ( -1.642 0.801 0.000) 1.827 1.466 ( -1.603 1.402 0.000) 2.129 1.515 ( 0.973 0.125 0.000) 0.981 1.553 ( 1.587 1.816 0.000) 2.412 1.738 ( -3.707 4.324 0.000) 5.696 1.778 ( -1.975 -1.680 0.000) 2.593 1.814 ( -0.153 -0.160 0.000) 0.222 1.860 ( 1.298 -2.130 0.000) 2.494 2.205 ( -3.339 -0.417 0.000) 3.365 2.231 ( 0.053 1.295 0.000) 1.296 2.347 ( -0.277 0.291 0.000) 0.402 2.459 ( -1.654 1.330 0.000) 2.122 2.738 ( -1.370 -0.184 0.000) 1.383 2.870 ( 2.404 -0.154 0.000) 2.409 3.052 ( 2.343 0.498 0.000) 2.396 3.159 ( -4.956 -0.142 0.000) 4.958 3.372 ( -5.593 -0.083 0.000) 5.593 3.465 ( 0.134 0.075 0.000) 0.153 3.525 ( -1.018 -0.688 0.000) 1.229 3.531 ( 1.224 -0.381 0.000) 1.282 3.580 ( -0.445 0.250 0.000) 0.510 3.687 ( -0.485 0.093 0.000) 0.494 3.886 ( 0.572 0.027 0.000) 0.573 3.901 ( 0.720 0.034 0.000) 0.721 3.930 ( 1.065 0.028 0.000) 1.065 4.257 ( 1.906 -0.103 0.000) 1.909 4.453 ( -3.722 -0.211 0.000) 3.728 4.775 ( 7.131 0.483 0.000) 7.147 4.816 ( -0.036 -0.961 0.000) 0.962 5.396 ( 1.618 0.359 0.000) 1.658 5.598 ( -0.945 -0.333 0.000) 1.002 ======================= Grid point 31 (23/129) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -8.467 -5.399 0.000) 10.042 0.968 ( -2.730 -0.564 0.000) 2.787 1.072 ( -5.660 -0.013 0.000) 5.660 1.166 ( -0.109 1.595 0.000) 1.598 1.279 ( -3.356 -4.939 0.000) 5.971 1.408 ( -1.035 0.069 0.000) 1.038 1.414 ( 0.642 -0.676 0.000) 0.933 1.490 ( -5.856 2.267 0.000) 6.279 1.564 ( 3.786 2.081 0.000) 4.320 1.654 ( -7.455 1.913 0.000) 7.697 1.707 ( 1.174 2.059 0.000) 2.370 1.808 ( -0.677 -0.493 0.000) 0.837 1.929 ( 1.891 -1.024 0.000) 2.150 2.097 ( -8.576 -1.116 0.000) 8.649 2.132 ( -8.832 3.227 0.000) 9.403 2.339 ( -2.016 1.459 0.000) 2.488 2.382 ( -4.864 0.966 0.000) 4.959 2.715 ( -0.698 -0.192 0.000) 0.724 2.922 ( 2.192 -0.221 0.000) 2.203 3.069 ( -3.625 -0.082 0.000) 3.626 3.110 ( 3.518 0.180 0.000) 3.523 3.269 ( -4.606 0.314 0.000) 4.616 3.476 ( 1.348 0.173 0.000) 1.359 3.499 ( -1.455 0.011 0.000) 1.455 3.561 ( 1.734 -0.860 0.000) 1.936 3.600 ( 2.930 -0.152 0.000) 2.934 3.656 ( -2.920 0.051 0.000) 2.920 3.902 ( 1.182 -0.019 0.000) 1.182 3.910 ( 0.114 -0.023 0.000) 0.116 3.938 ( -0.941 -0.471 0.000) 1.052 4.304 ( 2.617 -0.683 0.000) 2.705 4.377 ( -4.342 -0.412 0.000) 4.361 4.814 ( 0.102 -1.618 0.000) 1.621 4.949 ( 10.014 0.479 0.000) 10.026 5.435 ( 2.642 0.877 0.000) 2.784 5.578 ( -1.391 -0.875 0.000) 1.643 ======================= Grid point 32 (24/129) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -11.462 -4.074 0.000) 12.165 0.872 ( -9.715 0.973 0.000) 9.764 0.954 ( -3.583 -1.949 0.000) 4.079 1.074 ( -7.732 0.542 0.000) 7.751 1.249 ( -4.007 -7.025 0.000) 8.087 1.338 ( -5.777 0.310 0.000) 5.785 1.429 ( -5.164 -3.497 0.000) 6.236 1.466 ( 5.718 1.114 0.000) 5.826 1.521 ( -2.611 5.843 0.000) 6.399 1.627 ( 3.516 2.147 0.000) 4.120 1.691 ( -3.526 0.446 0.000) 3.555 1.795 ( -1.128 -0.799 0.000) 1.383 1.885 ( -6.087 1.858 0.000) 6.365 1.893 ( -12.597 -1.910 0.000) 12.741 1.965 ( -4.153 2.983 0.000) 5.113 2.194 ( -9.640 2.291 0.000) 9.908 2.291 ( -6.331 0.170 0.000) 6.333 2.720 ( 1.198 0.324 0.000) 1.241 2.932 ( -1.525 -0.056 0.000) 1.526 3.032 ( -0.485 0.084 0.000) 0.492 3.151 ( -0.245 0.682 0.000) 0.725 3.214 ( -0.412 0.370 0.000) 0.554 3.490 ( 0.848 0.114 0.000) 0.856 3.521 ( 3.455 0.132 0.000) 3.457 3.567 ( -6.432 -0.078 0.000) 6.432 3.605 ( 2.299 -0.257 0.000) 2.313 3.697 ( 6.879 -0.196 0.000) 6.881 3.887 ( -4.856 -1.633 0.000) 5.123 3.911 ( 0.115 -0.251 0.000) 0.276 3.932 ( 1.868 -0.143 0.000) 1.874 4.287 ( -5.227 -0.653 0.000) 5.267 4.358 ( 1.512 -3.130 0.000) 3.476 4.831 ( 0.732 -2.090 0.000) 2.215 5.149 ( 10.990 0.924 0.000) 11.029 5.484 ( 2.646 1.184 0.000) 2.899 5.559 ( -0.877 -1.292 0.000) 1.562 ======================= Grid point 33 (25/129) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -10.906 1.359 0.000) 10.990 0.627 ( -14.200 1.099 0.000) 14.243 0.899 ( -7.160 -0.099 0.000) 7.160 0.953 ( -0.965 -2.973 0.000) 3.126 1.103 ( -14.903 0.479 0.000) 14.911 1.255 ( -3.022 -0.563 0.000) 3.074 1.327 ( -5.324 -3.408 0.000) 6.321 1.444 ( -2.767 1.010 0.000) 2.946 1.554 ( -1.652 0.517 0.000) 1.731 1.598 ( -5.502 -1.172 0.000) 5.625 1.636 ( -1.594 -2.474 0.000) 2.943 1.722 ( 0.719 0.509 0.000) 0.881 1.781 ( -5.244 -0.440 0.000) 5.262 1.801 ( -0.112 -0.603 0.000) 0.613 1.881 ( -4.405 1.288 0.000) 4.590 2.004 ( -7.488 1.625 0.000) 7.662 2.143 ( -7.127 2.931 0.000) 7.706 2.756 ( 2.862 1.027 0.000) 3.040 2.870 ( -4.466 0.152 0.000) 4.468 3.036 ( 0.551 0.170 0.000) 0.576 3.084 ( -5.429 1.557 0.000) 5.648 3.245 ( 3.191 -0.114 0.000) 3.193 3.418 ( -8.697 -0.141 0.000) 8.698 3.523 ( 2.183 -0.140 0.000) 2.187 3.594 ( 3.672 -0.130 0.000) 3.675 3.634 ( -0.566 -0.885 0.000) 1.051 3.770 ( -5.083 -2.106 0.000) 5.502 3.848 ( 4.946 -0.119 0.000) 4.947 3.922 ( 0.836 -0.575 0.000) 1.014 3.972 ( 2.135 -0.202 0.000) 2.144 4.193 ( -4.496 -1.037 0.000) 4.614 4.373 ( -3.638 -8.814 0.000) 9.535 4.864 ( 1.787 -1.214 0.000) 2.161 5.351 ( 10.521 1.630 0.000) 10.646 5.503 ( -0.437 -0.903 0.000) 1.003 5.577 ( 2.382 0.643 0.000) 2.468 ======================= Grid point 34 (26/129) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( -15.254 1.382 0.000) 15.317 0.357 ( -5.020 9.992 0.000) 11.182 0.733 ( -18.556 10.216 0.000) 21.183 0.765 ( -5.581 -0.445 0.000) 5.599 1.001 ( 3.541 -2.928 0.000) 4.595 1.213 ( -1.760 0.044 0.000) 1.760 1.266 ( -2.444 -2.522 0.000) 3.512 1.338 ( -12.117 -3.575 0.000) 12.634 1.438 ( 0.346 -4.602 0.000) 4.615 1.609 ( -3.438 -4.581 0.000) 5.728 1.648 ( 2.675 -0.544 0.000) 2.730 1.679 ( -5.842 -4.299 0.000) 7.253 1.755 ( 1.898 1.391 0.000) 2.353 1.767 ( -5.062 2.205 0.000) 5.522 1.808 ( 0.504 -0.070 0.000) 0.508 1.958 ( 2.797 2.415 0.000) 3.696 2.034 ( -0.654 4.909 0.000) 4.952 2.783 ( -3.821 0.197 0.000) 3.827 2.810 ( 2.789 1.287 0.000) 3.071 2.968 ( -4.901 0.424 0.000) 4.919 3.039 ( -0.269 0.169 0.000) 0.318 3.267 ( -6.089 -0.083 0.000) 6.089 3.318 ( 3.403 -0.709 0.000) 3.476 3.509 ( -14.928 -8.347 0.000) 17.103 3.571 ( 1.253 -0.964 0.000) 1.581 3.652 ( 2.082 -0.408 0.000) 2.121 3.728 ( 0.305 0.840 0.000) 0.894 3.878 ( -1.936 0.183 0.000) 1.944 3.943 ( 0.862 -0.802 0.000) 1.177 4.009 ( 1.442 -0.159 0.000) 1.450 4.105 ( -10.680 -6.201 0.000) 12.350 4.313 ( -5.247 -9.741 0.000) 11.064 4.905 ( 1.910 0.117 0.000) 1.914 5.498 ( -0.668 -2.162 0.000) 2.263 5.529 ( 8.978 2.448 0.000) 9.306 5.617 ( 2.014 1.793 0.000) 2.696 ======================= Grid point 35 (27/129) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.093 ( -0.000 3.867 0.000) 3.867 0.288 ( -0.000 13.646 0.000) 13.646 0.399 ( -0.000 19.229 0.000) 19.229 0.711 ( 0.000 -0.310 0.000) 0.310 1.074 ( 0.000 -0.169 0.000) 0.169 1.192 ( -0.000 0.529 0.000) 0.529 1.214 ( 0.000 -6.742 0.000) 6.742 1.258 ( 0.000 -1.956 0.000) 1.956 1.465 ( 0.000 -3.717 0.000) 3.717 1.608 ( 0.000 -9.152 0.000) 9.152 1.622 ( 0.000 -1.637 0.000) 1.637 1.678 ( 0.000 -0.470 0.000) 0.470 1.707 ( -0.000 1.602 0.000) 1.602 1.768 ( -0.000 1.208 0.000) 1.208 1.814 ( -0.000 0.181 0.000) 0.181 1.955 ( -0.000 6.609 0.000) 6.609 2.221 ( 0.000 -4.617 0.000) 4.617 2.742 ( -0.000 0.162 0.000) 0.162 2.823 ( -0.000 0.240 0.000) 0.240 2.922 ( 0.000 -0.070 0.000) 0.070 3.026 ( -0.000 0.256 0.000) 0.256 3.031 ( -0.000 0.156 0.000) 0.156 3.208 ( 0.000 -0.039 0.000) 0.039 3.372 ( 0.000 -0.281 0.000) 0.281 3.598 ( 0.000 -0.578 0.000) 0.578 3.674 ( 0.000 -0.465 0.000) 0.465 3.730 ( -0.000 1.385 0.000) 1.385 3.842 ( -0.000 0.063 0.000) 0.063 3.886 ( -0.000 0.046 0.000) 0.046 3.957 ( 0.000 -0.805 0.000) 0.805 4.024 ( 0.000 -0.110 0.000) 0.110 4.306 ( 0.000 -2.607 0.000) 2.607 4.924 ( -0.000 0.443 0.000) 0.443 5.503 ( 0.000 -2.465 0.000) 2.465 5.627 ( -0.000 2.088 0.000) 2.088 5.640 ( -0.000 0.086 0.000) 0.086 ======================= Grid point 40 (28/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 2.286 -0.000 0.000) 2.286 1.063 ( -1.858 0.000 0.000) 1.858 1.082 ( -3.281 0.000 0.000) 3.281 1.240 ( -0.087 0.000 0.000) 0.087 1.357 ( -1.050 0.000 0.000) 1.050 1.457 ( 2.114 -0.000 0.000) 2.114 1.502 ( -5.048 0.000 0.000) 5.048 1.518 ( 0.305 -0.000 0.000) 0.305 1.545 ( -0.651 0.000 0.000) 0.651 1.667 ( 5.731 -0.000 0.000) 5.731 1.816 ( -0.226 0.000 0.000) 0.226 1.818 ( 2.264 -0.000 0.000) 2.264 1.863 ( -0.247 0.000 0.000) 0.247 2.237 ( -0.542 0.000 0.000) 0.542 2.248 ( -0.864 0.000 0.000) 0.864 2.337 ( -1.023 0.000 0.000) 1.023 2.447 ( 4.066 -0.000 0.000) 4.066 2.753 ( -0.097 0.000 0.000) 0.097 2.847 ( -0.251 0.000 0.000) 0.251 3.023 ( 0.998 -0.000 0.000) 0.998 3.217 ( -0.286 0.000 0.000) 0.286 3.457 ( -1.052 0.000 0.000) 1.052 3.464 ( 0.091 -0.000 0.000) 0.091 3.503 ( 0.234 -0.000 0.000) 0.234 3.536 ( -0.998 0.000 0.000) 0.998 3.590 ( 0.239 -0.000 0.000) 0.239 3.687 ( 0.194 -0.000 0.000) 0.194 3.880 ( 0.066 -0.000 0.000) 0.066 3.892 ( 0.073 -0.000 0.000) 0.073 3.916 ( 0.146 -0.000 0.000) 0.146 4.237 ( -0.083 0.000 0.000) 0.083 4.502 ( -0.431 0.000 0.000) 0.431 4.687 ( 0.673 -0.000 0.000) 0.673 4.828 ( -1.228 0.000 0.000) 1.228 5.378 ( 0.484 -0.000 0.000) 0.484 5.610 ( -0.435 0.000 0.000) 0.435 ======================= Grid point 41 (29/129) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -4.993 -0.633 0.000) 5.033 1.012 ( -1.244 1.490 0.000) 1.941 1.048 ( 5.023 -1.460 0.000) 5.231 1.207 ( -3.133 0.050 0.000) 3.134 1.310 ( -3.906 -1.530 0.000) 4.195 1.416 ( -2.300 0.345 0.000) 2.326 1.477 ( -3.563 0.717 0.000) 3.634 1.514 ( 3.110 -0.146 0.000) 3.113 1.568 ( 1.618 0.949 0.000) 1.876 1.763 ( -1.327 -0.892 0.000) 1.599 1.780 ( -3.851 3.663 0.000) 5.314 1.813 ( -0.243 -0.057 0.000) 0.250 1.832 ( 1.728 -3.064 0.000) 3.518 2.202 ( -3.507 -0.154 0.000) 3.510 2.243 ( -0.991 0.782 0.000) 1.262 2.348 ( 1.287 -0.017 0.000) 1.287 2.468 ( -1.560 0.466 0.000) 1.628 2.737 ( -1.415 -0.079 0.000) 1.418 2.869 ( 2.364 -0.056 0.000) 2.365 3.056 ( 2.314 0.184 0.000) 2.322 3.158 ( -4.962 -0.052 0.000) 4.963 3.372 ( -5.510 -0.028 0.000) 5.510 3.465 ( 0.160 0.028 0.000) 0.162 3.520 ( -0.815 -0.260 0.000) 0.856 3.528 ( 0.880 -0.138 0.000) 0.890 3.582 ( -0.531 0.091 0.000) 0.539 3.687 ( -0.481 0.034 0.000) 0.482 3.886 ( 0.573 0.009 0.000) 0.573 3.901 ( 0.721 0.012 0.000) 0.722 3.931 ( 1.015 0.010 0.000) 1.015 4.257 ( 1.837 -0.039 0.000) 1.837 4.452 ( -3.762 -0.078 0.000) 3.763 4.779 ( 7.563 0.245 0.000) 7.567 4.809 ( -0.670 -0.418 0.000) 0.790 5.399 ( 1.756 0.134 0.000) 1.761 5.596 ( -1.081 -0.125 0.000) 1.088 ======================= Grid point 42 (30/129) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -8.580 -3.060 0.000) 9.109 0.964 ( -2.706 -0.284 0.000) 2.721 1.072 ( -6.124 -0.062 0.000) 6.124 1.179 ( 0.156 0.982 0.000) 0.995 1.241 ( -4.055 -2.739 0.000) 4.893 1.408 ( -0.837 0.040 0.000) 0.838 1.409 ( 0.189 -0.351 0.000) 0.399 1.510 ( -6.659 1.530 0.000) 6.833 1.581 ( 3.893 1.198 0.000) 4.073 1.661 ( -6.596 -0.080 0.000) 6.597 1.735 ( 1.068 2.949 0.000) 3.136 1.804 ( -0.809 -0.306 0.000) 0.865 1.914 ( 2.006 -1.800 0.000) 2.695 2.088 ( -8.865 -0.668 0.000) 8.890 2.158 ( -7.260 1.914 0.000) 7.508 2.351 ( -1.579 0.897 0.000) 1.816 2.390 ( -5.990 0.606 0.000) 6.020 2.714 ( -0.560 -0.101 0.000) 0.569 2.920 ( 2.225 -0.129 0.000) 2.228 3.069 ( -3.556 -0.047 0.000) 3.556 3.111 ( 3.357 0.080 0.000) 3.358 3.271 ( -4.452 0.168 0.000) 4.455 3.477 ( 1.365 0.099 0.000) 1.369 3.500 ( -1.161 0.151 0.000) 1.170 3.553 ( 1.839 -0.632 0.000) 1.945 3.599 ( 2.830 -0.086 0.000) 2.831 3.656 ( -2.968 0.030 0.000) 2.968 3.902 ( 1.140 -0.011 0.000) 1.140 3.910 ( 0.057 -0.013 0.000) 0.059 3.934 ( -1.309 -0.287 0.000) 1.340 4.298 ( 2.157 -0.407 0.000) 2.195 4.374 ( -4.424 -0.242 0.000) 4.431 4.802 ( -0.164 -0.888 0.000) 0.903 4.953 ( 10.159 0.252 0.000) 10.162 5.442 ( 2.871 0.563 0.000) 2.926 5.571 ( -1.648 -0.561 0.000) 1.741 ======================= Grid point 43 (31/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -8.863 -2.019 0.000) 9.090 0.882 ( -9.571 1.190 0.000) 9.645 0.936 ( -3.600 -1.707 0.000) 3.984 1.078 ( -8.580 0.255 0.000) 8.584 1.182 ( -4.809 -5.881 0.000) 7.597 1.346 ( -6.052 0.968 0.000) 6.129 1.398 ( -5.556 -2.716 0.000) 6.185 1.476 ( 5.878 0.831 0.000) 5.937 1.569 ( -1.627 3.619 0.000) 3.968 1.647 ( 3.431 1.690 0.000) 3.825 1.704 ( -4.550 2.032 0.000) 4.983 1.789 ( -1.082 -0.481 0.000) 1.184 1.875 ( -13.072 -1.668 0.000) 13.178 1.885 ( -5.577 -1.306 0.000) 5.728 1.998 ( -5.960 3.235 0.000) 6.781 2.215 ( -9.930 1.756 0.000) 10.084 2.291 ( -5.575 -0.136 0.000) 5.577 2.723 ( 1.503 0.258 0.000) 1.525 2.932 ( -1.413 -0.044 0.000) 1.414 3.033 ( -0.422 0.060 0.000) 0.427 3.158 ( 0.515 0.627 0.000) 0.812 3.218 ( -0.644 0.262 0.000) 0.695 3.492 ( 0.686 0.160 0.000) 0.704 3.523 ( 3.372 0.096 0.000) 3.373 3.566 ( -6.484 -0.055 0.000) 6.484 3.602 ( 2.647 -0.235 0.000) 2.658 3.695 ( 6.959 -0.110 0.000) 6.960 3.871 ( -5.595 -1.438 0.000) 5.777 3.908 ( -0.017 -0.184 0.000) 0.185 3.931 ( 1.819 -0.107 0.000) 1.822 4.282 ( -5.306 -0.440 0.000) 5.324 4.330 ( -0.248 -2.380 0.000) 2.393 4.814 ( 1.019 -1.298 0.000) 1.651 5.157 ( 11.143 0.592 0.000) 11.159 5.496 ( 2.592 1.326 0.000) 2.912 5.545 ( -0.885 -1.404 0.000) 1.660 ======================= Grid point 44 (32/129) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -5.735 4.870 0.000) 7.524 0.637 ( -14.214 0.908 0.000) 14.243 0.897 ( -7.374 -0.236 0.000) 7.378 0.926 ( -1.366 -2.303 0.000) 2.678 1.074 ( -10.773 -5.569 0.000) 12.127 1.253 ( -3.234 0.137 0.000) 3.237 1.297 ( -5.290 -2.735 0.000) 5.955 1.476 ( -6.008 5.044 0.000) 7.845 1.559 ( -6.417 0.331 0.000) 6.425 1.587 ( -3.281 -0.966 0.000) 3.420 1.617 ( -2.070 -1.372 0.000) 2.483 1.727 ( 2.011 0.493 0.000) 2.071 1.757 ( -8.576 -3.760 0.000) 9.364 1.795 ( 0.265 -0.607 0.000) 0.662 1.903 ( -3.797 2.463 0.000) 4.526 2.018 ( -8.107 1.194 0.000) 8.194 2.170 ( -5.739 2.261 0.000) 6.168 2.766 ( 3.126 0.845 0.000) 3.238 2.871 ( -4.400 0.129 0.000) 4.402 3.037 ( 0.567 0.149 0.000) 0.586 3.101 ( -5.362 1.863 0.000) 5.676 3.243 ( 2.900 -0.259 0.000) 2.912 3.416 ( -8.693 -0.118 0.000) 8.693 3.522 ( 2.127 -0.123 0.000) 2.131 3.593 ( 3.508 -0.124 0.000) 3.510 3.622 ( -3.291 -1.473 0.000) 3.606 3.751 ( -4.380 -1.540 0.000) 4.643 3.845 ( 5.732 -0.313 0.000) 5.740 3.917 ( 0.684 -0.497 0.000) 0.846 3.971 ( 2.134 -0.181 0.000) 2.141 4.184 ( -4.765 -0.687 0.000) 4.815 4.292 ( -6.192 -7.027 0.000) 9.366 4.855 ( 2.589 -0.630 0.000) 2.665 5.365 ( 10.762 1.093 0.000) 10.817 5.495 ( -1.355 -0.724 0.000) 1.536 5.583 ( 3.232 0.505 0.000) 3.271 ======================= Grid point 45 (33/129) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( -15.002 1.112 0.000) 15.043 0.472 ( -0.830 12.670 0.000) 12.697 0.758 ( -5.829 -1.138 0.000) 5.939 0.817 ( -14.033 6.070 0.000) 15.290 0.973 ( 3.929 -2.568 0.000) 4.694 1.213 ( -1.159 -0.104 0.000) 1.164 1.240 ( -2.205 -2.554 0.000) 3.374 1.308 ( -12.946 -2.452 0.000) 13.176 1.400 ( -0.947 -2.666 0.000) 2.829 1.561 ( -6.249 -4.871 0.000) 7.923 1.637 ( 1.845 -1.453 0.000) 2.348 1.639 ( -4.430 -3.725 0.000) 5.788 1.769 ( 2.081 1.119 0.000) 2.362 1.788 ( -5.582 1.821 0.000) 5.871 1.809 ( 0.837 0.245 0.000) 0.872 1.974 ( 3.916 0.953 0.000) 4.030 2.078 ( -1.494 3.852 0.000) 4.132 2.785 ( -3.827 0.196 0.000) 3.832 2.823 ( 2.635 1.186 0.000) 2.889 2.973 ( -5.728 0.640 0.000) 5.763 3.041 ( -0.270 0.172 0.000) 0.320 3.266 ( -6.048 -0.078 0.000) 6.048 3.307 ( 1.413 -1.487 0.000) 2.051 3.427 ( -17.831 -7.396 0.000) 19.304 3.565 ( 1.961 -0.393 0.000) 2.000 3.648 ( 1.953 -0.437 0.000) 2.001 3.738 ( 1.002 0.980 0.000) 1.401 3.879 ( -2.008 0.122 0.000) 2.012 3.935 ( 0.768 -0.797 0.000) 1.107 4.008 ( 1.463 -0.173 0.000) 1.473 4.053 ( -12.593 -4.172 0.000) 13.266 4.241 ( 0.116 -5.284 0.000) 5.285 4.907 ( 2.327 0.256 0.000) 2.341 5.478 ( -0.933 -1.769 0.000) 2.000 5.547 ( 8.474 1.306 0.000) 8.574 5.633 ( 2.236 1.413 0.000) 2.645 ======================= Grid point 46 (34/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.125 ( -0.000 2.643 0.000) 2.643 0.416 ( -0.000 11.920 0.000) 11.920 0.582 ( -0.000 17.424 0.000) 17.424 0.705 ( 0.000 -0.998 0.000) 0.998 1.072 ( 0.000 -0.195 0.000) 0.195 1.148 ( 0.000 -6.184 0.000) 6.184 1.198 ( -0.000 0.808 0.000) 0.808 1.235 ( 0.000 -2.710 0.000) 2.710 1.423 ( 0.000 -4.484 0.000) 4.484 1.521 ( 0.000 -8.273 0.000) 8.273 1.604 ( 0.000 -1.852 0.000) 1.852 1.664 ( 0.000 -2.065 0.000) 2.065 1.722 ( -0.000 1.457 0.000) 1.457 1.784 ( -0.000 1.639 0.000) 1.639 1.816 ( -0.000 0.370 0.000) 0.370 2.012 ( -0.000 4.813 0.000) 4.813 2.170 ( 0.000 -5.424 0.000) 5.424 2.744 ( -0.000 0.187 0.000) 0.187 2.826 ( -0.000 0.276 0.000) 0.276 2.922 ( -0.000 0.078 0.000) 0.078 3.029 ( -0.000 0.295 0.000) 0.295 3.033 ( -0.000 0.180 0.000) 0.180 3.208 ( 0.000 -0.038 0.000) 0.038 3.369 ( 0.000 -0.397 0.000) 0.397 3.592 ( 0.000 -0.588 0.000) 0.588 3.669 ( 0.000 -0.571 0.000) 0.571 3.745 ( -0.000 1.528 0.000) 1.528 3.842 ( -0.000 0.073 0.000) 0.073 3.887 ( -0.000 0.053 0.000) 0.053 3.948 ( 0.000 -0.920 0.000) 0.920 4.023 ( 0.000 -0.148 0.000) 0.148 4.277 ( 0.000 -3.087 0.000) 3.087 4.929 ( -0.000 0.505 0.000) 0.505 5.479 ( 0.000 -2.242 0.000) 2.242 5.641 ( -0.000 0.100 0.000) 0.100 5.647 ( -0.000 1.823 0.000) 1.823 ======================= Grid point 53 (35/129) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -8.613 0.000 0.000) 8.613 0.962 ( -2.688 0.000 0.000) 2.688 1.071 ( -6.263 0.000 0.000) 6.263 1.184 ( 0.207 -0.000 0.000) 0.207 1.227 ( -4.300 0.000 0.000) 4.300 1.407 ( 0.039 -0.000 0.000) 0.039 1.408 ( -0.760 0.000 0.000) 0.760 1.518 ( -7.128 0.000 0.000) 7.128 1.587 ( 3.944 -0.000 0.000) 3.944 1.660 ( -5.881 0.000 0.000) 5.881 1.752 ( 0.657 -0.000 0.000) 0.657 1.802 ( -0.861 0.000 0.000) 0.861 1.903 ( 2.236 -0.000 0.000) 2.236 2.085 ( -8.977 0.000 0.000) 8.977 2.168 ( -6.722 0.000 0.000) 6.722 2.356 ( -1.514 0.000 0.000) 1.514 2.393 ( -6.368 0.000 0.000) 6.368 2.713 ( -0.498 0.000 0.000) 0.498 2.920 ( 2.236 -0.000 0.000) 2.236 3.068 ( -3.530 0.000 0.000) 3.530 3.111 ( 3.303 -0.000 0.000) 3.303 3.272 ( -4.393 0.000 0.000) 4.393 3.477 ( 1.372 -0.000 0.000) 1.372 3.501 ( -1.062 0.000 0.000) 1.062 3.550 ( 1.889 -0.000 0.000) 1.889 3.599 ( 2.791 -0.000 0.000) 2.791 3.656 ( -2.985 0.000 0.000) 2.985 3.902 ( 1.125 -0.000 0.000) 1.125 3.910 ( 0.036 -0.000 0.000) 0.036 3.933 ( -1.452 0.000 0.000) 1.452 4.296 ( 1.986 -0.000 0.000) 1.986 4.373 ( -4.455 0.000 0.000) 4.455 4.797 ( -0.250 0.000 0.000) 0.250 4.954 ( 10.208 -0.000 0.000) 10.208 5.445 ( 2.978 -0.000 0.000) 2.978 5.568 ( -1.765 0.000 0.000) 1.765 ======================= Grid point 55 (36/129) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -6.824 -0.512 0.000) 6.843 0.894 ( -10.653 0.880 0.000) 10.690 0.922 ( -2.424 -1.035 0.000) 2.636 1.080 ( -9.069 0.070 0.000) 9.070 1.140 ( -5.732 -2.267 0.000) 6.164 1.357 ( -6.197 1.415 0.000) 6.356 1.374 ( -6.020 -2.028 0.000) 6.353 1.482 ( 5.930 0.310 0.000) 5.938 1.592 ( -0.779 1.069 0.000) 1.323 1.659 ( 3.457 0.645 0.000) 3.517 1.724 ( -4.798 1.504 0.000) 5.029 1.786 ( -0.728 -0.117 0.000) 0.738 1.862 ( -13.725 -0.709 0.000) 13.744 1.870 ( -5.976 -1.147 0.000) 6.085 2.022 ( -6.623 1.279 0.000) 6.745 2.228 ( -10.264 0.678 0.000) 10.286 2.289 ( -4.959 -0.136 0.000) 4.961 2.725 ( 1.658 0.097 0.000) 1.661 2.931 ( -1.349 -0.017 0.000) 1.349 3.033 ( -0.386 0.022 0.000) 0.387 3.162 ( 1.070 0.262 0.000) 1.102 3.219 ( -0.820 0.093 0.000) 0.825 3.493 ( 0.551 0.078 0.000) 0.557 3.523 ( 3.324 0.035 0.000) 3.324 3.566 ( -6.514 -0.020 0.000) 6.514 3.601 ( 2.898 -0.098 0.000) 2.900 3.695 ( 7.056 -0.029 0.000) 7.056 3.861 ( -6.174 -0.590 0.000) 6.202 3.907 ( -0.094 -0.067 0.000) 0.115 3.930 ( 1.789 -0.039 0.000) 1.790 4.279 ( -5.350 -0.135 0.000) 5.352 4.313 ( -1.228 -0.901 0.000) 1.523 4.805 ( 1.224 -0.433 0.000) 1.299 5.161 ( 11.219 0.203 0.000) 11.221 5.509 ( 3.277 1.012 0.000) 3.430 5.532 ( -1.605 -1.041 0.000) 1.913 ======================= Grid point 56 (37/129) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -0.805 5.183 0.000) 5.245 0.645 ( -14.301 0.494 0.000) 14.310 0.894 ( -8.803 -0.347 0.000) 8.810 0.909 ( -0.388 -1.065 0.000) 1.133 1.013 ( -9.786 -5.817 0.000) 11.385 1.255 ( -3.323 0.182 0.000) 3.328 1.274 ( -5.163 -1.815 0.000) 5.473 1.533 ( -7.626 5.874 0.000) 9.626 1.561 ( -11.958 0.162 0.000) 11.960 1.579 ( 0.621 -0.543 0.000) 0.825 1.607 ( -2.151 -0.931 0.000) 2.344 1.715 ( -10.461 -4.240 0.000) 11.288 1.731 ( 2.520 0.306 0.000) 2.539 1.790 ( 0.773 -0.391 0.000) 0.867 1.924 ( -4.086 1.506 0.000) 4.355 2.027 ( -8.551 0.633 0.000) 8.574 2.187 ( -4.884 1.219 0.000) 5.034 2.772 ( 3.309 0.469 0.000) 3.342 2.872 ( -4.351 0.073 0.000) 4.351 3.038 ( 0.580 0.086 0.000) 0.586 3.118 ( -5.272 1.397 0.000) 5.454 3.241 ( 2.654 -0.275 0.000) 2.668 3.415 ( -8.689 -0.067 0.000) 8.689 3.521 ( 2.074 -0.072 0.000) 2.075 3.592 ( 3.382 -0.076 0.000) 3.383 3.607 ( -6.209 -1.283 0.000) 6.340 3.740 ( -3.090 -0.718 0.000) 3.172 3.842 ( 6.362 -0.260 0.000) 6.367 3.913 ( 0.574 -0.287 0.000) 0.642 3.969 ( 2.132 -0.107 0.000) 2.134 4.180 ( -4.560 -0.010 0.000) 4.560 4.237 ( -7.722 -4.079 0.000) 8.733 4.851 ( 3.076 -0.260 0.000) 3.087 5.373 ( 10.851 0.541 0.000) 10.864 5.489 ( -1.898 -0.401 0.000) 1.940 5.586 ( 3.728 0.277 0.000) 3.738 ======================= Grid point 57 (38/129) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( -14.925 0.624 0.000) 14.938 0.600 ( 0.067 12.565 0.000) 12.566 0.744 ( -6.155 -1.463 0.000) 6.327 0.845 ( -7.753 -0.596 0.000) 7.776 0.953 ( 3.992 -1.407 0.000) 4.233 1.210 ( -1.788 -1.235 0.000) 2.173 1.220 ( -1.095 -0.533 0.000) 1.218 1.290 ( -13.317 -1.307 0.000) 13.381 1.390 ( -3.751 0.646 0.000) 3.806 1.513 ( -8.863 -4.793 0.000) 10.076 1.607 ( -2.485 -2.588 0.000) 3.588 1.623 ( 1.171 -1.299 0.000) 1.749 1.776 ( 1.921 0.293 0.000) 1.943 1.802 ( -6.065 1.108 0.000) 6.166 1.813 ( 1.355 0.557 0.000) 1.465 1.979 ( 3.195 0.057 0.000) 3.195 2.109 ( -1.905 2.416 0.000) 3.076 2.787 ( -3.830 0.143 0.000) 3.833 2.833 ( 2.463 0.833 0.000) 2.600 2.980 ( -6.722 0.639 0.000) 6.752 3.042 ( -0.271 0.128 0.000) 0.300 3.265 ( -6.012 -0.054 0.000) 6.012 3.287 ( -4.231 -2.419 0.000) 4.874 3.372 ( -12.658 -3.543 0.000) 13.145 3.562 ( 1.939 -0.240 0.000) 1.954 3.644 ( 1.837 -0.338 0.000) 1.867 3.747 ( 1.427 0.769 0.000) 1.621 3.880 ( -2.088 0.053 0.000) 2.088 3.928 ( 0.688 -0.584 0.000) 0.902 4.006 ( 1.479 -0.133 0.000) 1.485 4.022 ( -11.638 -2.051 0.000) 11.817 4.201 ( 2.172 -3.059 0.000) 3.751 4.909 ( 2.564 0.216 0.000) 2.573 5.463 ( -1.141 -1.158 0.000) 1.626 5.557 ( 8.056 0.650 0.000) 8.082 5.645 ( 2.409 0.907 0.000) 2.574 ======================= Grid point 58 (39/129) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.145 ( -0.000 1.404 0.000) 1.404 0.521 ( -0.000 9.159 0.000) 9.159 0.691 ( 0.000 -1.734 0.000) 1.734 0.741 ( -0.000 14.274 0.000) 14.274 1.070 ( 0.000 -0.169 0.000) 0.169 1.097 ( 0.000 -4.016 0.000) 4.016 1.207 ( 0.000 -2.806 0.000) 2.806 1.208 ( -0.000 1.127 0.000) 1.127 1.378 ( 0.000 -4.547 0.000) 4.547 1.445 ( 0.000 -6.788 0.000) 6.788 1.587 ( 0.000 -1.562 0.000) 1.562 1.642 ( 0.000 -2.149 0.000) 2.149 1.735 ( -0.000 1.046 0.000) 1.046 1.794 ( -0.000 0.386 0.000) 0.386 1.824 ( -0.000 1.065 0.000) 1.065 2.047 ( -0.000 1.746 0.000) 1.746 2.121 ( 0.000 -3.667 0.000) 3.667 2.746 ( -0.000 0.162 0.000) 0.162 2.828 ( -0.000 0.238 0.000) 0.238 2.924 ( -0.000 0.225 0.000) 0.225 3.031 ( -0.000 0.254 0.000) 0.254 3.034 ( -0.000 0.156 0.000) 0.156 3.208 ( 0.000 -0.027 0.000) 0.027 3.365 ( 0.000 -0.410 0.000) 0.410 3.587 ( 0.000 -0.464 0.000) 0.464 3.664 ( 0.000 -0.524 0.000) 0.524 3.759 ( -0.000 1.293 0.000) 1.293 3.843 ( -0.000 0.064 0.000) 0.064 3.887 ( -0.000 0.045 0.000) 0.045 3.939 ( 0.000 -0.794 0.000) 0.794 4.022 ( 0.000 -0.142 0.000) 0.142 4.247 ( 0.000 -2.752 0.000) 2.752 4.934 ( -0.000 0.432 0.000) 0.432 5.459 ( 0.000 -1.683 0.000) 1.683 5.642 ( -0.000 0.087 0.000) 0.087 5.663 ( -0.000 1.336 0.000) 1.336 ======================= Grid point 67 (40/129) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -14.350 0.000 0.000) 14.350 0.663 ( 1.748 -0.000 0.000) 1.748 0.892 ( -9.751 0.000 0.000) 9.751 0.904 ( 0.397 -0.000 0.000) 0.397 0.979 ( -10.447 0.000 0.000) 10.447 1.257 ( -3.537 0.000 0.000) 3.537 1.263 ( -4.928 0.000 0.000) 4.928 1.562 ( -15.226 0.000 0.000) 15.226 1.574 ( -9.599 0.000 0.000) 9.599 1.577 ( 3.330 -0.000 0.000) 3.330 1.597 ( -0.103 0.000 0.000) 0.103 1.689 ( -11.536 0.000 0.000) 11.536 1.733 ( 2.597 -0.000 0.000) 2.597 1.788 ( 1.031 -0.000 0.000) 1.031 1.931 ( -4.266 0.000 0.000) 4.266 2.030 ( -8.711 0.000 0.000) 8.711 2.193 ( -4.598 0.000 0.000) 4.598 2.775 ( 3.376 -0.000 0.000) 3.376 2.873 ( -4.332 0.000 0.000) 4.332 3.039 ( 0.585 -0.000 0.000) 0.585 3.126 ( -5.229 0.000 0.000) 5.229 3.239 ( 2.558 -0.000 0.000) 2.558 3.415 ( -8.688 0.000 0.000) 8.688 3.520 ( 2.050 -0.000 0.000) 2.050 3.591 ( 3.335 -0.000 0.000) 3.335 3.600 ( -7.431 0.000 0.000) 7.431 3.737 ( -2.483 0.000 0.000) 2.483 3.841 ( 6.598 -0.000 0.000) 6.598 3.911 ( 0.533 -0.000 0.000) 0.533 3.969 ( 2.131 -0.000 0.000) 2.131 4.181 ( -3.820 0.000 0.000) 3.820 4.215 ( -8.825 0.000 0.000) 8.825 4.849 ( 3.236 -0.000 0.000) 3.236 5.376 ( 10.871 -0.000 0.000) 10.871 5.487 ( -2.078 0.000 0.000) 2.078 5.588 ( 3.891 -0.000 0.000) 3.891 ======================= Grid point 69 (41/129) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( -14.941 0.181 0.000) 14.942 0.716 ( -2.819 10.337 0.000) 10.715 0.732 ( -6.404 -0.683 0.000) 6.440 0.808 ( -0.422 -6.460 0.000) 6.474 0.944 ( 3.955 -0.391 0.000) 3.975 1.196 ( -2.265 -0.892 0.000) 2.434 1.223 ( -0.271 0.310 0.000) 0.412 1.281 ( -13.421 -0.396 0.000) 13.426 1.410 ( -5.973 2.860 0.000) 6.622 1.467 ( -10.522 -4.017 0.000) 11.263 1.589 ( -1.418 -0.896 0.000) 1.677 1.613 ( 0.803 -0.506 0.000) 0.950 1.777 ( 1.749 0.008 0.000) 1.749 1.810 ( -6.308 0.366 0.000) 6.318 1.818 ( 1.692 0.267 0.000) 1.713 1.978 ( 2.318 -0.091 0.000) 2.319 2.126 ( -2.066 0.817 0.000) 2.222 2.788 ( -3.832 0.052 0.000) 3.832 2.839 ( 2.354 0.302 0.000) 2.373 2.985 ( -7.478 0.279 0.000) 7.483 3.043 ( -0.273 0.047 0.000) 0.277 3.265 ( -5.991 -0.019 0.000) 5.991 3.267 ( -8.757 -1.241 0.000) 8.845 3.352 ( -7.415 -0.841 0.000) 7.463 3.561 ( 1.897 -0.084 0.000) 1.899 3.641 ( 1.767 -0.127 0.000) 1.772 3.752 ( 1.634 0.292 0.000) 1.660 3.881 ( -2.143 0.011 0.000) 2.143 3.924 ( 0.642 -0.214 0.000) 0.676 4.005 ( 1.487 -0.050 0.000) 1.488 4.009 ( -10.844 -0.599 0.000) 10.861 4.180 ( 2.806 -1.047 0.000) 2.995 4.911 ( 2.676 0.082 0.000) 2.677 5.455 ( -1.253 -0.403 0.000) 1.316 5.561 ( 7.846 0.199 0.000) 7.848 5.651 ( 2.503 0.313 0.000) 2.523 ======================= Grid point 70 (42/129) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.154 ( -0.000 0.484 0.000) 0.484 0.594 ( -0.000 5.111 0.000) 5.111 0.673 ( 0.000 -1.474 0.000) 1.474 0.858 ( -0.000 8.744 0.000) 8.744 1.069 ( 0.000 -0.097 0.000) 0.097 1.069 ( 0.000 -1.718 0.000) 1.718 1.183 ( 0.000 -1.829 0.000) 1.829 1.220 ( -0.000 1.230 0.000) 1.230 1.337 ( 0.000 -3.396 0.000) 3.396 1.389 ( 0.000 -4.364 0.000) 4.364 1.574 ( 0.000 -0.880 0.000) 0.880 1.625 ( 0.000 -1.313 0.000) 1.313 1.743 ( -0.000 0.537 0.000) 0.537 1.795 ( 0.000 -0.086 0.000) 0.086 1.834 ( -0.000 0.778 0.000) 0.778 2.042 ( 0.000 -1.809 0.000) 1.809 2.107 ( -0.000 0.217 0.000) 0.217 2.747 ( -0.000 0.093 0.000) 0.093 2.830 ( -0.000 0.137 0.000) 0.137 2.926 ( -0.000 0.205 0.000) 0.205 3.033 ( -0.000 0.146 0.000) 0.146 3.036 ( -0.000 0.090 0.000) 0.090 3.208 ( 0.000 -0.013 0.000) 0.013 3.361 ( 0.000 -0.267 0.000) 0.267 3.583 ( 0.000 -0.255 0.000) 0.255 3.659 ( 0.000 -0.315 0.000) 0.315 3.769 ( -0.000 0.742 0.000) 0.742 3.843 ( -0.000 0.037 0.000) 0.037 3.888 ( -0.000 0.026 0.000) 0.026 3.933 ( 0.000 -0.459 0.000) 0.459 4.020 ( 0.000 -0.086 0.000) 0.086 4.225 ( 0.000 -1.627 0.000) 1.627 4.937 ( -0.000 0.247 0.000) 0.247 5.446 ( 0.000 -0.900 0.000) 0.900 5.643 ( -0.000 0.051 0.000) 0.051 5.673 ( -0.000 0.706 0.000) 0.706 ======================= Grid point 82 (43/129) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.156 ( -0.000 0.000 0.000) 0.000 0.619 ( -0.000 0.000 0.000) 0.000 0.666 ( -0.000 0.000 0.000) 0.000 0.904 ( -0.000 0.000 0.000) 0.000 1.061 ( -0.000 0.000 0.000) 0.000 1.068 ( -0.000 0.000 0.000) 0.000 1.173 ( -0.000 0.000 0.000) 0.000 1.228 ( -0.000 0.000 0.000) 0.000 1.318 ( 0.000 -0.000 0.000) 0.000 1.365 ( -0.000 0.000 0.000) 0.000 1.570 ( -0.000 0.000 0.000) 0.000 1.618 ( -0.000 0.000 0.000) 0.000 1.746 ( -0.000 0.000 0.000) 0.000 1.794 ( -0.000 0.000 0.000) 0.000 1.838 ( -0.000 0.000 0.000) 0.000 2.031 ( -0.000 0.000 0.000) 0.000 2.110 ( -0.000 0.000 0.000) 0.000 2.748 ( -0.000 0.000 0.000) 0.000 2.831 ( -0.000 0.000 0.000) 0.000 2.927 ( -0.000 0.000 0.000) 0.000 3.034 ( -0.000 0.000 0.000) 0.000 3.036 ( -0.000 0.000 0.000) 0.000 3.207 ( -0.000 0.000 0.000) 0.000 3.360 ( -0.000 0.000 0.000) 0.000 3.582 ( -0.000 0.000 0.000) 0.000 3.658 ( -0.000 0.000 0.000) 0.000 3.773 ( -0.000 0.000 0.000) 0.000 3.844 ( -0.000 0.000 0.000) 0.000 3.888 ( -0.000 0.000 0.000) 0.000 3.931 ( -0.000 0.000 0.000) 0.000 4.020 ( -0.000 0.000 0.000) 0.000 4.216 ( -0.000 0.000 0.000) 0.000 4.939 ( -0.000 0.000 0.000) 0.000 5.442 ( -0.000 0.000 0.000) 0.000 5.643 ( -0.000 0.000 0.000) 0.000 5.677 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/129) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.176 ( 0.000 0.000 8.742) 8.742 0.350 ( 0.000 0.000 15.530) 15.530 0.538 ( 0.000 0.000 4.005) 4.005 0.735 ( 0.000 0.000 14.536) 14.536 0.923 ( 0.000 0.000 -10.169) 10.169 1.251 ( 0.000 0.000 -4.342) 4.342 1.289 ( 0.000 0.000 5.584) 5.584 1.341 ( 0.000 0.000 6.071) 6.071 1.477 ( 0.000 0.000 -2.617) 2.617 1.645 ( 0.000 0.000 0.473) 0.473 1.678 ( 0.000 0.000 -0.702) 0.702 1.690 ( 0.000 0.000 1.667) 1.667 1.705 ( 0.000 0.000 -4.466) 4.466 1.764 ( 0.000 0.000 -1.180) 1.180 1.806 ( 0.000 0.000 -0.441) 0.441 1.912 ( 0.000 0.000 -2.846) 2.846 2.061 ( 0.000 0.000 4.563) 4.563 2.679 ( 0.000 0.000 -19.078) 19.078 2.753 ( 0.000 0.000 1.024) 1.024 2.808 ( 0.000 0.000 -1.037) 1.037 3.029 ( 0.000 0.000 0.456) 0.456 3.034 ( 0.000 0.000 0.311) 0.311 3.235 ( 0.000 0.000 1.689) 1.689 3.344 ( 0.000 0.000 -2.560) 2.560 3.603 ( 0.000 0.000 1.397) 1.397 3.691 ( 0.000 0.000 -1.849) 1.849 3.847 ( 0.000 0.000 0.558) 0.558 3.879 ( 0.000 0.000 -0.590) 0.590 3.955 ( 0.000 0.000 1.772) 1.772 3.991 ( 0.000 0.000 1.115) 1.115 4.278 ( 0.000 0.000 4.860) 4.860 4.569 ( 0.000 0.000 -5.815) 5.815 4.987 ( 0.000 0.000 5.761) 5.761 5.343 ( 0.000 0.000 -8.674) 8.674 5.639 ( 0.000 0.000 4.365) 4.365 5.768 ( 0.000 0.000 -1.708) 1.708 ======================= Grid point 152 (45/129) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 13.608 -0.291 5.613) 14.723 0.470 ( 10.492 -2.740 9.198) 14.220 0.673 ( 10.085 -1.221 -3.041) 10.605 0.863 ( 13.561 -0.861 18.928) 23.301 0.937 ( 1.204 -0.410 -7.768) 7.872 1.250 ( 0.719 0.601 1.275) 1.582 1.348 ( 1.683 1.543 3.955) 4.567 1.390 ( 8.585 -0.089 -0.365) 8.593 1.478 ( -0.027 1.419 -2.616) 2.976 1.663 ( 0.166 1.540 -0.674) 1.689 1.674 ( 0.383 -0.987 -1.493) 1.830 1.680 ( -0.769 0.851 2.881) 3.101 1.717 ( 0.234 -0.311 -1.739) 1.782 1.790 ( 5.321 3.719 -0.695) 6.529 1.854 ( 3.992 -2.099 -0.416) 4.529 1.919 ( 0.484 -2.436 -2.187) 3.310 1.968 ( -3.011 -1.099 8.101) 8.712 2.625 ( -4.059 -0.330 -16.854) 17.339 2.796 ( 4.009 -0.058 1.239) 4.196 2.874 ( 5.568 -0.211 -3.219) 6.435 3.038 ( 0.259 -0.129 0.171) 0.336 3.169 ( 3.592 0.018 -9.059) 9.745 3.300 ( 6.241 -0.026 2.099) 6.585 3.426 ( 8.233 0.632 -4.601) 9.453 3.586 ( -1.670 -0.025 1.670) 2.361 3.684 ( -0.829 -0.228 -1.992) 2.169 3.823 ( -3.312 0.223 3.312) 4.689 3.861 ( 0.780 -0.096 -0.511) 0.937 3.959 ( -0.439 -0.022 -1.342) 1.412 3.973 ( -2.147 -0.022 0.389) 2.182 4.273 ( 0.422 0.699 6.447) 6.498 4.582 ( 1.040 4.265 -4.692) 6.426 4.966 ( -1.896 -0.087 5.473) 5.793 5.316 ( -3.077 -0.394 -8.414) 8.968 5.622 ( -1.560 -0.130 3.788) 4.099 5.676 ( -5.990 0.504 3.034) 6.733 ======================= Grid point 153 (46/129) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 15.666 3.029 4.531) 16.587 0.712 ( 12.184 -2.469 4.675) 13.281 0.880 ( 10.981 -0.648 -1.668) 11.126 0.963 ( 1.800 0.162 -3.453) 3.897 1.194 ( 16.856 -2.384 15.151) 22.789 1.268 ( 1.443 -0.271 1.314) 1.971 1.374 ( 0.849 0.214 -1.524) 1.758 1.465 ( 2.041 5.647 0.092) 6.005 1.565 ( 3.024 3.287 -3.050) 5.409 1.633 ( 0.210 -0.994 3.866) 3.997 1.674 ( 3.663 -1.167 -2.902) 4.817 1.711 ( 2.298 -0.046 1.387) 2.685 1.718 ( -0.134 -2.671 0.181) 2.681 1.879 ( 2.835 1.567 -1.796) 3.704 1.891 ( -0.146 -0.038 6.299) 6.301 1.987 ( 7.626 -1.268 1.296) 7.839 2.073 ( 9.962 -1.818 -1.067) 10.183 2.561 ( -2.616 -0.605 -16.003) 16.227 2.887 ( 4.835 -0.130 1.685) 5.122 2.993 ( 5.736 -0.476 -3.176) 6.573 3.045 ( 0.612 -0.371 0.127) 0.727 3.172 ( -1.171 -0.202 -5.397) 5.526 3.443 ( 7.699 0.182 1.543) 7.854 3.533 ( 1.815 0.363 -3.240) 3.731 3.546 ( -2.259 0.078 1.918) 2.964 3.657 ( -2.394 -0.174 -0.999) 2.600 3.799 ( 1.386 0.901 -0.011) 1.653 3.833 ( -4.826 -0.321 -0.723) 4.891 3.931 ( -0.674 -0.009 -0.100) 0.681 3.947 ( -0.419 -0.114 -1.370) 1.437 4.305 ( 3.085 0.605 7.219) 7.874 4.549 ( -2.179 3.583 -0.529) 4.227 4.922 ( -2.539 0.386 3.331) 4.206 5.222 ( -7.012 -0.675 -7.046) 9.963 5.576 ( -4.074 0.350 3.286) 5.246 5.595 ( -1.157 0.097 1.929) 2.251 ======================= Grid point 154 (47/129) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 12.532 3.375 3.781) 13.518 0.925 ( 9.284 1.533 2.061) 9.633 1.009 ( 3.208 -0.545 -0.598) 3.308 1.090 ( 10.451 0.686 1.608) 10.596 1.311 ( 2.596 -1.083 1.506) 3.191 1.376 ( 0.618 -1.749 -2.185) 2.866 1.441 ( 5.920 -3.377 7.046) 9.803 1.477 ( 1.114 6.738 2.409) 7.242 1.528 ( -0.752 5.380 -0.895) 5.505 1.597 ( -3.244 -1.699 1.027) 3.804 1.721 ( -1.039 -2.654 1.813) 3.378 1.814 ( 11.432 -3.185 2.893) 12.215 1.859 ( 0.959 0.636 2.593) 2.837 1.901 ( 2.776 -1.337 0.999) 3.239 1.937 ( 8.995 0.119 -0.655) 9.020 2.162 ( 8.618 -1.285 1.122) 8.785 2.259 ( 7.571 -0.397 -2.030) 7.848 2.532 ( -0.864 -0.311 -15.683) 15.710 2.957 ( 1.910 0.043 2.102) 2.841 3.053 ( 1.858 -0.234 1.665) 2.505 3.092 ( 2.057 -0.268 -3.383) 3.968 3.167 ( 1.234 -0.330 -3.080) 3.334 3.494 ( -1.744 0.123 0.447) 1.804 3.514 ( -2.493 -0.030 -0.433) 2.531 3.572 ( 3.858 0.234 0.392) 3.885 3.604 ( -2.610 0.111 -0.429) 2.648 3.717 ( -4.454 0.035 1.481) 4.694 3.843 ( 1.905 0.584 -4.001) 4.469 3.937 ( 0.681 0.026 1.253) 1.427 3.955 ( 1.163 0.127 0.405) 1.239 4.370 ( 3.680 0.588 5.515) 6.656 4.476 ( -3.673 1.869 3.592) 5.467 4.868 ( -2.620 1.003 0.117) 2.808 5.064 ( -9.330 -0.726 -5.278) 10.745 5.507 ( -2.989 -0.030 3.065) 4.281 5.584 ( -0.015 0.701 0.073) 0.705 ======================= Grid point 155 (48/129) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 1.707 1.065 0.869) 2.192 1.052 ( 0.511 0.684 -0.729) 1.123 1.112 ( 7.882 3.486 3.180) 9.186 1.257 ( 7.147 1.794 3.002) 7.957 1.373 ( 3.405 -1.088 1.810) 4.006 1.413 ( -0.391 0.693 -0.103) 0.803 1.438 ( 0.212 1.081 4.730) 4.856 1.496 ( 5.500 2.546 1.450) 6.232 1.538 ( -2.964 -2.070 1.957) 4.111 1.602 ( 4.628 -0.753 -0.160) 4.691 1.709 ( 0.494 -1.462 3.016) 3.388 1.832 ( -2.148 0.292 2.372) 3.213 1.885 ( -2.964 -1.750 -1.061) 3.602 2.097 ( 13.314 -2.127 2.441) 13.702 2.141 ( 8.586 0.570 1.263) 8.697 2.300 ( 4.186 -1.482 -0.724) 4.499 2.344 ( 1.599 -1.030 -1.638) 2.510 2.523 ( -0.073 0.249 -16.134) 16.136 2.951 ( -2.180 0.359 2.119) 3.061 3.074 ( -3.183 0.156 -2.312) 3.937 3.114 ( 4.535 0.036 2.773) 5.316 3.234 ( 5.361 -0.184 -2.213) 5.803 3.474 ( -0.997 -0.022 0.098) 1.002 3.488 ( 1.143 0.153 -0.796) 1.401 3.560 ( -1.869 0.498 -0.931) 2.147 3.574 ( -1.833 0.191 -1.462) 2.352 3.709 ( 1.832 -0.019 3.616) 4.053 3.863 ( 0.606 0.181 -2.777) 2.848 3.945 ( 0.006 0.086 2.097) 2.099 3.968 ( -0.212 0.196 0.839) 0.888 4.402 ( -3.044 0.699 6.323) 7.052 4.435 ( 3.232 0.490 3.818) 5.026 4.815 ( -2.303 1.168 -2.696) 3.733 4.888 ( -8.988 -0.654 -4.016) 9.866 5.461 ( -1.891 -0.086 3.390) 3.883 5.583 ( 0.286 0.775 -1.240) 1.490 ======================= Grid point 156 (49/129) ======================= q-point: ( 0.42 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -2.881 -0.785 0.974) 3.141 1.035 ( -0.735 0.631 -1.758) 2.008 1.170 ( 0.549 3.080 4.496) 5.477 1.339 ( 2.614 0.242 1.191) 2.883 1.416 ( 2.518 2.005 2.696) 4.199 1.427 ( 3.192 2.391 -0.866) 4.081 1.496 ( 1.896 -0.395 10.144) 10.327 1.509 ( 0.994 -1.439 3.029) 3.497 1.575 ( -1.290 0.767 2.112) 2.591 1.657 ( 4.669 -2.762 -0.960) 5.509 1.784 ( -0.741 -0.353 -0.871) 1.197 1.794 ( 0.965 0.540 0.851) 1.395 1.832 ( 0.136 -1.689 -1.583) 2.319 2.231 ( 0.831 -0.252 1.259) 1.529 2.255 ( -0.019 1.769 1.132) 2.100 2.336 ( 4.147 -1.091 0.463) 4.313 2.402 ( 2.252 -2.347 -1.433) 3.554 2.527 ( 0.528 0.063 -16.961) 16.969 2.897 ( -2.543 0.312 1.958) 3.225 3.013 ( -2.303 -0.229 -2.258) 3.233 3.215 ( 5.198 0.367 3.403) 6.223 3.350 ( 6.090 0.387 -2.202) 6.488 3.468 ( 0.024 -0.081 0.417) 0.426 3.519 ( 1.189 0.589 -1.825) 2.256 3.522 ( -1.695 0.286 -0.760) 1.879 3.547 ( -0.878 -0.296 -1.449) 1.720 3.737 ( 0.957 -0.018 3.761) 3.881 3.874 ( 0.883 0.044 -1.516) 1.754 3.936 ( -0.804 0.049 2.161) 2.306 3.945 ( -1.800 0.012 1.185) 2.155 4.353 ( -1.803 0.187 7.601) 7.814 4.494 ( 3.231 0.379 2.849) 4.324 4.730 ( -6.735 -0.378 -3.048) 7.402 4.780 ( -1.524 0.656 -4.602) 4.892 5.434 ( -0.904 -0.044 3.717) 3.826 5.585 ( 0.182 0.488 -1.997) 2.064 ======================= Grid point 157 (50/129) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.000 -0.000 1.537) 1.537 1.023 ( 0.000 -0.000 -1.986) 1.986 1.162 ( 0.000 -0.000 4.451) 4.451 1.366 ( -0.000 -0.000 -2.040) 2.040 1.443 ( 0.000 -0.000 4.622) 4.622 1.464 ( 0.000 -0.000 1.711) 1.711 1.499 ( -0.000 -0.000 9.183) 9.183 1.524 ( 0.000 0.000 1.525) 1.525 1.563 ( 0.000 -0.000 5.370) 5.370 1.710 ( 0.000 -0.000 -0.047) 0.047 1.747 ( 0.000 -0.000 -5.459) 5.459 1.806 ( 0.000 -0.000 1.351) 1.351 1.881 ( 0.000 -0.000 -1.242) 1.242 2.201 ( 0.000 -0.000 1.037) 1.037 2.253 ( 0.000 -0.000 0.907) 0.907 2.381 ( -0.000 -0.000 0.462) 0.462 2.434 ( 0.000 -0.000 -1.206) 1.206 2.535 ( 0.000 -0.000 -17.061) 17.061 2.870 ( 0.000 -0.000 2.018) 2.018 2.993 ( 0.000 -0.000 -2.453) 2.453 3.272 ( 0.000 -0.000 3.557) 3.557 3.432 ( 0.000 -0.000 -3.485) 3.485 3.464 ( -0.000 -0.000 0.635) 0.635 3.486 ( 0.000 -0.000 0.336) 0.336 3.530 ( 0.000 -0.000 -0.978) 0.978 3.542 ( 0.000 0.000 -2.654) 2.654 3.747 ( 0.000 -0.000 4.031) 4.031 3.894 ( 0.000 -0.000 -1.977) 1.977 3.915 ( 0.000 -0.000 2.163) 2.163 3.926 ( 0.000 -0.000 2.033) 2.033 4.334 ( 0.000 -0.000 8.015) 8.015 4.539 ( 0.000 -0.000 3.299) 3.299 4.649 ( 0.000 -0.000 -3.560) 3.560 4.764 ( 0.000 -0.000 -5.115) 5.115 5.426 ( 0.000 -0.000 3.832) 3.832 5.585 ( 0.000 -0.000 -2.250) 2.250 ======================= Grid point 165 (51/129) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 16.359 -0.000 3.942) 16.827 0.696 ( 12.557 -0.000 5.048) 13.534 0.876 ( 11.300 -0.000 -1.857) 11.451 0.964 ( 1.810 -0.000 -4.068) 4.452 1.181 ( 16.893 -0.000 15.685) 23.052 1.267 ( 1.136 -0.000 1.275) 1.707 1.374 ( 0.231 -0.000 -1.577) 1.594 1.498 ( 3.424 -0.000 0.345) 3.442 1.586 ( 5.917 -0.000 -2.711) 6.508 1.623 ( -3.682 0.000 3.544) 5.110 1.663 ( 2.526 -0.000 -2.499) 3.553 1.700 ( 0.424 -0.000 -1.110) 1.189 1.715 ( 2.280 -0.000 2.250) 3.204 1.887 ( 2.171 -0.000 -1.879) 2.871 1.890 ( -0.338 0.000 6.268) 6.278 1.980 ( 7.923 -0.000 1.244) 8.021 2.063 ( 10.835 -0.000 -0.930) 10.875 2.558 ( -2.550 0.000 -16.108) 16.309 2.886 ( 4.852 -0.000 1.660) 5.128 2.990 ( 5.813 -0.000 -3.207) 6.639 3.043 ( 0.592 -0.000 0.095) 0.599 3.171 ( -1.186 0.000 -5.468) 5.595 3.444 ( 7.690 -0.000 1.584) 7.851 3.535 ( 1.602 -0.000 -3.223) 3.599 3.546 ( -2.224 0.000 1.931) 2.945 3.656 ( -2.336 0.000 -0.965) 2.527 3.804 ( 1.727 -0.000 -0.303) 1.753 3.831 ( -5.078 0.000 -0.633) 5.117 3.931 ( -0.691 0.000 -0.180) 0.714 3.946 ( -0.385 0.000 -1.419) 1.470 4.308 ( 3.005 -0.000 7.250) 7.848 4.568 ( -3.062 0.000 -1.070) 3.244 4.924 ( -2.390 0.000 2.950) 3.797 5.218 ( -6.978 0.000 -6.874) 9.795 5.577 ( -4.341 0.000 3.314) 5.462 5.596 ( -0.869 0.000 2.056) 2.232 ======================= Grid point 166 (52/129) ======================= q-point: ( 0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 9.331 0.211 2.387) 9.634 0.952 ( 14.349 2.161 3.199) 14.859 1.005 ( 2.392 -0.244 -0.991) 2.600 1.092 ( 10.661 -0.097 2.451) 10.940 1.304 ( 2.806 -0.264 0.320) 2.836 1.358 ( -0.798 -1.239 -3.632) 3.920 1.418 ( 6.601 -1.201 9.658) 11.760 1.532 ( -1.234 3.834 2.696) 4.847 1.573 ( -2.810 -0.753 -0.172) 2.914 1.597 ( -0.974 5.621 0.195) 5.708 1.673 ( 1.884 -6.147 1.183) 6.537 1.798 ( 10.313 -0.470 3.642) 10.947 1.868 ( 1.713 1.064 0.342) 2.045 1.886 ( 0.555 -1.522 3.126) 3.520 1.938 ( 9.655 0.057 -0.718) 9.682 2.154 ( 8.604 -0.433 1.227) 8.702 2.256 ( 7.789 -0.161 -1.989) 8.041 2.529 ( -0.615 -0.109 -15.819) 15.832 2.958 ( 2.024 0.014 2.099) 2.916 3.051 ( 1.949 -0.088 1.614) 2.532 3.090 ( 2.295 -0.088 -3.368) 4.077 3.165 ( 1.248 -0.123 -3.113) 3.356 3.495 ( -1.727 0.052 0.474) 1.792 3.513 ( -2.562 -0.012 -0.392) 2.592 3.574 ( 3.830 0.086 0.460) 3.858 3.605 ( -2.473 0.037 -0.411) 2.507 3.718 ( -4.487 0.015 1.442) 4.713 3.847 ( 1.699 0.199 -4.082) 4.426 3.938 ( 0.727 0.008 1.212) 1.413 3.956 ( 1.256 0.047 0.346) 1.304 4.374 ( 3.614 0.216 5.591) 6.661 4.489 ( -4.431 0.665 3.483) 5.676 4.876 ( -2.534 0.410 -0.520) 2.619 5.059 ( -9.266 -0.290 -5.128) 10.595 5.507 ( -3.038 0.004 3.329) 4.507 5.588 ( 0.021 0.249 0.087) 0.264 ======================= Grid point 167 (53/129) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 1.099 1.107 0.672) 1.699 1.048 ( 0.558 -0.935 -0.875) 1.397 1.154 ( 7.631 4.107 3.408) 9.312 1.267 ( 6.908 0.107 5.403) 8.771 1.365 ( 3.734 -0.112 -0.814) 3.824 1.401 ( 3.126 -2.347 -0.371) 3.927 1.442 ( -0.228 0.319 5.836) 5.849 1.520 ( -2.531 -1.324 1.749) 3.349 1.542 ( 1.951 4.984 1.206) 5.486 1.603 ( 4.601 0.619 -0.189) 4.646 1.690 ( 0.560 -2.270 3.384) 4.113 1.834 ( -2.869 0.122 1.055) 3.059 1.865 ( -2.833 -1.898 1.476) 3.716 2.080 ( 14.668 -1.195 2.862) 14.993 2.145 ( 8.529 0.294 0.997) 8.592 2.289 ( 4.936 -0.759 -1.087) 5.111 2.336 ( 0.590 -0.571 -1.835) 2.010 2.525 ( -0.007 0.149 -16.114) 16.115 2.954 ( -2.118 0.208 2.198) 3.060 3.075 ( -3.329 0.057 -2.187) 3.984 3.115 ( 4.778 0.042 2.857) 5.567 3.233 ( 5.549 -0.112 -2.099) 5.933 3.474 ( -1.091 -0.013 0.220) 1.113 3.489 ( 1.355 0.118 -0.945) 1.656 3.564 ( -1.833 0.265 -0.955) 2.084 3.576 ( -1.917 0.099 -1.422) 2.389 3.709 ( 1.825 -0.007 3.640) 4.072 3.864 ( 0.482 0.100 -2.760) 2.804 3.946 ( -0.003 0.052 2.127) 2.128 3.969 ( -0.288 0.112 0.793) 0.851 4.408 ( -3.463 0.393 6.389) 7.278 4.439 ( 3.196 0.273 3.898) 5.048 4.825 ( -2.372 0.789 -3.270) 4.116 4.882 ( -8.962 -0.481 -3.882) 9.778 5.460 ( -1.874 -0.026 3.734) 4.178 5.590 ( 0.180 0.432 -1.212) 1.299 ======================= Grid point 168 (54/129) ======================= q-point: ( 0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -2.958 -0.310 0.973) 3.129 1.039 ( -1.078 0.231 -2.035) 2.314 1.199 ( -0.304 2.588 4.571) 5.261 1.340 ( 1.851 0.024 1.957) 2.694 1.429 ( 2.376 1.182 2.756) 3.826 1.452 ( 3.659 2.079 0.289) 4.218 1.489 ( 0.391 -0.955 7.865) 7.932 1.498 ( 2.589 -0.682 3.787) 4.638 1.587 ( -2.058 1.354 1.464) 2.866 1.637 ( 4.523 -1.270 -0.471) 4.722 1.778 ( -0.330 -0.886 -0.421) 1.035 1.797 ( 2.423 -0.179 1.303) 2.757 1.814 ( -0.391 -1.711 -0.806) 1.931 2.230 ( 0.816 0.080 0.871) 1.196 2.273 ( -0.753 1.737 0.354) 1.926 2.326 ( 6.081 -0.776 0.694) 6.170 2.379 ( 2.298 -2.198 -1.056) 3.351 2.528 ( 0.392 0.017 -17.003) 17.008 2.899 ( -2.674 0.233 2.015) 3.357 3.011 ( -2.369 -0.169 -2.002) 3.107 3.218 ( 5.188 0.270 3.512) 6.271 3.354 ( 6.310 0.271 -2.063) 6.645 3.467 ( 0.013 -0.053 0.444) 0.448 3.524 ( 0.093 0.357 -1.843) 1.880 3.525 ( -0.688 0.257 -1.135) 1.352 3.544 ( -1.244 -0.211 -1.309) 1.818 3.737 ( 0.972 -0.009 3.808) 3.930 3.875 ( 0.873 0.032 -1.493) 1.729 3.936 ( -0.823 0.041 2.215) 2.363 3.946 ( -1.871 0.005 1.234) 2.241 4.355 ( -1.936 0.130 7.657) 7.899 4.498 ( 3.145 0.271 2.952) 4.322 4.727 ( -6.779 -0.251 -3.060) 7.442 4.786 ( -1.669 0.463 -4.871) 5.170 5.434 ( -0.883 -0.021 3.965) 4.062 5.589 ( -0.024 0.349 -1.962) 1.993 ======================= Grid point 169 (55/129) ======================= q-point: ( 0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 0.792 0.325 1.316) 1.570 1.020 ( -0.554 -0.621 -2.056) 2.218 1.166 ( -1.519 0.917 4.808) 5.125 1.366 ( 0.472 -0.115 -1.584) 1.656 1.437 ( -1.703 -0.758 5.312) 5.630 1.467 ( -2.372 0.459 0.776) 2.538 1.496 ( -0.074 -0.223 7.390) 7.394 1.533 ( 2.049 1.386 1.563) 2.926 1.562 ( -0.341 0.027 6.720) 6.729 1.698 ( 2.399 -2.289 -0.231) 3.324 1.749 ( -1.211 0.311 -5.139) 5.289 1.810 ( 0.544 0.741 1.378) 1.656 1.878 ( 0.310 -0.561 -1.049) 1.229 2.207 ( 0.031 1.132 0.585) 1.275 2.253 ( -0.312 -0.062 0.775) 0.838 2.376 ( -0.534 -0.921 0.586) 1.216 2.436 ( 1.794 0.381 -1.022) 2.099 2.535 ( 0.027 -0.018 -17.021) 17.021 2.870 ( -0.162 -0.014 2.014) 2.021 2.993 ( 0.254 0.030 -2.467) 2.480 3.272 ( -0.321 -0.028 3.547) 3.562 3.432 ( -1.155 -0.082 -3.463) 3.652 3.464 ( 0.600 0.082 0.612) 0.861 3.487 ( 0.159 0.145 0.338) 0.400 3.527 ( -0.654 -0.526 -1.159) 1.431 3.545 ( 0.534 0.381 -2.471) 2.557 3.747 ( 0.005 0.008 4.030) 4.030 3.894 ( -0.097 0.010 -1.980) 1.983 3.915 ( 0.083 -0.000 2.160) 2.161 3.926 ( -0.020 -0.014 2.040) 2.040 4.334 ( -0.073 -0.004 8.014) 8.014 4.539 ( -0.370 -0.032 3.290) 3.311 4.650 ( 0.410 0.038 -3.552) 3.575 4.765 ( -0.388 0.001 -5.112) 5.127 5.426 ( 0.021 0.000 3.832) 3.832 5.585 ( -0.260 -0.000 -2.250) 2.265 ======================= Grid point 170 (56/129) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 2.502 1.105 0.860) 2.868 1.028 ( 0.857 -0.753 -1.044) 1.547 1.141 ( -1.724 -2.659 4.349) 5.381 1.337 ( -4.266 -0.142 1.023) 4.389 1.382 ( -2.609 -3.987 -0.727) 4.820 1.412 ( -2.984 -1.111 1.078) 3.361 1.499 ( -2.729 0.345 10.707) 11.055 1.523 ( -0.338 1.168 3.028) 3.263 1.576 ( 1.844 1.024 2.359) 3.165 1.689 ( -3.669 3.487 -1.436) 5.261 1.785 ( -1.877 -0.940 -0.188) 2.108 1.786 ( 2.111 -0.382 -0.190) 2.154 1.843 ( -0.322 0.312 -1.993) 2.043 2.234 ( -2.174 0.131 1.694) 2.759 2.240 ( 0.618 -0.834 1.081) 1.499 2.347 ( -2.258 0.997 0.382) 2.498 2.424 ( -2.063 2.061 -1.549) 3.302 2.526 ( -0.693 -0.113 -16.871) 16.886 2.893 ( 2.400 -0.308 1.899) 3.076 3.015 ( 2.187 0.229 -2.551) 3.369 3.211 ( -5.185 -0.366 3.274) 6.143 3.346 ( -5.858 -0.408 -2.375) 6.334 3.469 ( -0.033 0.095 0.389) 0.402 3.513 ( -1.159 -0.638 -1.546) 2.035 3.520 ( 1.511 -0.271 -0.621) 1.656 3.550 ( 0.505 0.295 -1.570) 1.675 3.737 ( -0.942 0.025 3.705) 3.823 3.874 ( -0.897 -0.045 -1.542) 1.784 3.935 ( 0.778 -0.041 2.104) 2.244 3.945 ( 1.729 -0.019 1.127) 2.064 4.351 ( 1.642 -0.199 7.532) 7.712 4.490 ( -3.327 -0.388 2.733) 4.323 4.735 ( 6.702 0.446 -3.050) 7.376 4.773 ( 1.334 -0.710 -4.272) 4.531 5.435 ( 0.946 0.064 3.427) 3.556 5.580 ( -0.433 -0.502 -2.034) 2.139 ======================= Grid point 171 (57/129) ======================= q-point: (-0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -2.098 -0.724 1.193) 2.519 1.024 ( -5.409 -4.392 2.250) 7.322 1.099 ( -3.220 0.347 0.268) 3.250 1.235 ( -7.316 -2.340 0.994) 7.745 1.371 ( -0.166 -2.999 -0.586) 3.060 1.395 ( -3.753 -0.892 5.580) 6.784 1.416 ( 0.616 -2.344 2.733) 3.653 1.504 ( -6.103 2.835 1.626) 6.923 1.558 ( 3.064 1.853 1.585) 3.916 1.621 ( -4.667 2.926 -0.331) 5.518 1.718 ( -0.270 0.368 2.657) 2.696 1.829 ( 1.990 -0.366 3.002) 3.620 1.896 ( 2.491 0.286 -2.502) 3.542 2.120 ( -11.389 2.143 1.718) 11.715 2.135 ( -8.555 -0.420 1.630) 8.719 2.317 ( -3.374 1.901 -0.352) 3.888 2.355 ( -3.005 1.263 -1.398) 3.547 2.521 ( 0.207 -0.272 -16.170) 16.173 2.947 ( 2.255 -0.416 2.009) 3.048 3.071 ( 2.942 -0.268 -2.445) 3.835 3.114 ( -4.164 0.011 2.633) 4.927 3.236 ( -5.088 0.197 -2.358) 5.611 3.475 ( 0.869 0.058 -0.053) 0.873 3.486 ( -0.836 -0.115 -0.659) 1.071 3.555 ( 1.911 -0.661 -0.866) 2.199 3.572 ( 1.714 -0.241 -1.514) 2.300 3.709 ( -1.840 0.032 3.583) 4.028 3.861 ( -0.792 -0.222 -2.793) 2.911 3.944 ( -0.018 -0.092 2.057) 2.059 3.966 ( 0.106 -0.231 0.906) 0.941 4.394 ( 2.488 -0.839 6.242) 6.772 4.429 ( -3.323 -0.589 3.697) 5.006 4.803 ( 2.138 -1.180 -2.015) 3.166 4.895 ( 9.117 0.619 -4.103) 10.017 5.462 ( 1.943 0.173 2.908) 3.501 5.575 ( -0.452 -0.950 -1.262) 1.643 ======================= Grid point 172 (58/129) ======================= q-point: (-0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -13.026 -5.049 4.308) 14.620 0.922 ( -6.015 0.287 1.976) 6.338 1.014 ( -4.604 0.442 -0.313) 4.636 1.078 ( -9.761 -1.508 0.543) 9.892 1.323 ( -2.394 0.906 3.794) 4.577 1.373 ( -4.358 -3.794 0.892) 5.847 1.417 ( -0.710 -3.562 -0.569) 3.676 1.481 ( -1.356 2.361 2.500) 3.696 1.491 ( -2.500 0.094 1.055) 2.715 1.614 ( 3.209 1.662 0.745) 3.690 1.729 ( -0.380 -0.284 2.916) 2.955 1.852 ( -5.015 2.043 3.644) 6.528 1.857 ( -4.689 1.514 1.349) 5.108 1.910 ( -6.408 0.455 0.856) 6.481 1.937 ( -7.418 0.498 -0.800) 7.478 2.179 ( -8.671 1.921 0.897) 8.926 2.264 ( -7.200 0.425 -2.061) 7.502 2.535 ( 1.281 0.452 -15.445) 15.505 2.957 ( -1.716 -0.071 2.105) 2.716 3.055 ( -1.679 0.311 1.736) 2.435 3.095 ( -1.599 0.434 -3.421) 3.801 3.171 ( -1.233 0.440 -3.026) 3.297 3.493 ( 1.744 -0.120 0.389) 1.790 3.514 ( 2.381 0.035 -0.503) 2.434 3.569 ( -3.903 -0.320 0.272) 3.926 3.603 ( 2.873 -0.178 -0.456) 2.915 3.717 ( 4.407 -0.032 1.545) 4.670 3.836 ( -2.309 -0.903 -3.824) 4.557 3.937 ( -0.621 -0.051 1.329) 1.468 3.954 ( -0.997 -0.168 0.505) 1.130 4.363 ( -3.789 -0.797 5.386) 6.633 4.453 ( 2.345 -2.665 3.830) 5.222 4.857 ( 2.818 -1.143 1.076) 3.226 5.073 ( 9.434 0.875 -5.470) 10.940 5.508 ( 2.915 0.159 2.597) 3.907 5.575 ( 0.083 -1.032 0.073) 1.038 ======================= Grid point 173 (59/129) ======================= q-point: (-0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -13.871 -1.938 5.007) 14.873 0.738 ( -11.044 2.748 4.227) 12.140 0.886 ( -10.084 0.435 -0.991) 10.141 0.960 ( -1.781 -0.501 -1.762) 2.555 1.218 ( -15.719 1.718 13.324) 20.678 1.274 ( -2.338 0.861 1.699) 3.016 1.366 ( -3.008 -1.527 -0.915) 3.496 1.407 ( -0.555 -4.672 -0.503) 4.731 1.533 ( -1.496 -2.813 -4.328) 5.375 1.636 ( -3.162 -0.371 4.791) 5.753 1.681 ( -3.507 0.420 -3.007) 4.639 1.705 ( -2.024 -0.666 2.519) 3.299 1.756 ( -1.277 3.834 -0.664) 4.095 1.859 ( -4.624 -2.101 -2.232) 5.548 1.891 ( 0.471 0.094 6.905) 6.922 2.004 ( -7.087 2.014 1.505) 7.520 2.095 ( -8.222 2.622 -1.382) 8.740 2.569 ( 2.793 1.041 -15.710) 15.990 2.889 ( -4.787 0.217 1.753) 5.102 3.000 ( -5.512 0.902 -3.100) 6.388 3.050 ( -0.683 0.679 0.182) 0.981 3.175 ( 1.126 0.314 -5.195) 5.325 3.441 ( -7.723 -0.308 1.430) 7.861 3.528 ( -2.451 -0.701 -3.288) 4.160 3.545 ( 2.352 -0.136 1.903) 3.029 3.659 ( 2.561 0.321 -1.096) 2.804 3.787 ( -1.073 -1.344 0.645) 1.837 3.836 ( 4.775 0.262 -0.795) 4.848 3.931 ( 0.645 0.008 0.112) 0.654 3.948 ( 0.485 0.164 -1.240) 1.342 4.297 ( -3.294 -1.017 7.133) 7.922 4.500 ( 0.036 -6.017 0.940) 6.090 4.918 ( 2.947 -0.409 4.110) 5.074 5.230 ( 7.034 0.972 -7.398) 10.254 5.571 ( 3.493 -0.537 3.231) 4.789 5.594 ( 1.841 -0.125 1.589) 2.436 ======================= Grid point 174 (60/129) ======================= q-point: (-0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -9.327 3.649 6.388) 11.879 0.513 ( -9.470 5.210 7.897) 13.386 0.695 ( -9.278 2.823 -3.312) 10.248 0.878 ( -13.050 2.003 16.859) 21.413 0.945 ( -1.804 1.463 -4.991) 5.505 1.240 ( -1.768 -1.250 1.017) 2.392 1.324 ( -2.819 -3.245 2.415) 4.930 1.385 ( -6.182 -1.489 2.470) 6.822 1.455 ( -0.156 -2.918 -2.790) 4.040 1.638 ( 0.564 -3.315 0.461) 3.395 1.667 ( -1.031 -1.544 0.519) 1.928 1.683 ( -0.574 0.188 -1.940) 2.032 1.724 ( -1.466 1.074 -1.653) 2.456 1.752 ( -5.810 -3.061 -0.807) 6.616 1.868 ( -2.264 0.624 2.011) 3.091 1.958 ( 0.931 4.466 -1.884) 4.935 1.989 ( 1.758 3.161 6.384) 7.337 2.632 ( 3.957 0.897 -16.596) 17.085 2.797 ( -4.045 0.156 1.251) 4.237 2.879 ( -5.728 0.580 -3.184) 6.579 3.041 ( -0.365 0.360 0.259) 0.575 3.168 ( -3.939 -0.064 -8.629) 9.485 3.301 ( -5.964 0.045 1.920) 6.265 3.414 ( -8.287 -1.737 -4.042) 9.382 3.586 ( 1.725 0.059 1.731) 2.444 3.688 ( 0.970 0.630 -2.071) 2.372 3.818 ( 3.431 -0.610 3.807) 5.161 3.863 ( -0.823 0.219 -0.480) 0.977 3.959 ( 0.256 -0.016 -1.204) 1.231 3.974 ( 2.174 0.071 0.596) 2.255 4.260 ( -1.229 -1.945 6.873) 7.248 4.508 ( -3.106 -9.616 -0.433) 10.114 4.968 ( 2.112 0.304 5.673) 6.061 5.322 ( 2.995 0.696 -8.785) 9.307 5.624 ( 1.923 0.329 3.431) 3.947 5.667 ( 5.186 -0.973 2.865) 6.004 ======================= Grid point 175 (61/129) ======================= q-point: (-0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.241 ( -0.000 11.065 5.752) 12.471 0.378 ( -0.000 5.362 14.224) 15.201 0.550 ( -0.000 2.299 3.209) 3.947 0.742 ( -0.000 1.399 15.471) 15.534 0.927 ( -0.000 0.940 -9.889) 9.933 1.233 ( 0.000 -3.336 -3.460) 4.806 1.287 ( 0.000 -0.556 5.407) 5.435 1.340 ( 0.000 -0.470 6.095) 6.113 1.467 ( 0.000 -1.936 -2.478) 3.145 1.641 ( 0.000 -0.778 0.563) 0.960 1.677 ( 0.000 -4.921 -0.753) 4.978 1.682 ( -0.000 0.726 -0.902) 1.158 1.694 ( 0.000 -1.886 -0.772) 2.038 1.720 ( 0.000 -2.244 -3.167) 3.881 1.841 ( -0.000 2.914 0.222) 2.922 1.933 ( -0.000 4.121 -1.445) 4.367 2.070 ( -0.000 1.738 2.554) 3.089 2.681 ( -0.000 0.401 -18.824) 18.828 2.753 ( -0.000 0.080 1.019) 1.023 2.809 ( -0.000 0.112 -1.047) 1.053 3.030 ( -0.000 0.127 0.448) 0.465 3.034 ( -0.000 0.089 0.311) 0.324 3.237 ( -0.000 0.327 1.646) 1.678 3.341 ( 0.000 -0.651 -2.487) 2.571 3.604 ( -0.000 0.105 1.434) 1.438 3.695 ( -0.000 0.604 -1.901) 1.994 3.847 ( -0.000 0.045 0.561) 0.562 3.879 ( -0.000 0.038 -0.585) 0.587 3.952 ( 0.000 -0.612 2.298) 2.378 3.991 ( -0.000 0.076 1.253) 1.255 4.262 ( 0.000 -3.120 6.003) 6.766 4.512 ( 0.000 -9.905 -0.819) 9.939 4.989 ( -0.000 0.356 5.799) 5.810 5.346 ( -0.000 0.542 -8.973) 8.990 5.642 ( -0.000 0.567 3.957) 3.997 5.752 ( 0.000 -2.712 -0.352) 2.735 ======================= Grid point 178 (62/129) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 0.526 -0.000 0.585) 0.787 1.042 ( 1.310 -0.000 -0.650) 1.463 1.178 ( 6.895 -0.000 3.215) 7.608 1.264 ( 6.821 -0.000 6.280) 9.272 1.370 ( 3.071 -0.000 -2.096) 3.718 1.382 ( 5.175 -0.000 -0.354) 5.187 1.444 ( -0.332 0.000 6.860) 6.868 1.513 ( -2.551 0.000 1.647) 3.036 1.573 ( 0.474 -0.000 -0.015) 0.475 1.607 ( 5.175 -0.000 0.212) 5.179 1.675 ( 0.660 -0.000 3.693) 3.751 1.835 ( -3.973 0.000 -0.582) 4.015 1.855 ( -1.991 0.000 3.782) 4.274 2.074 ( 15.120 -0.000 3.000) 15.415 2.147 ( 8.496 -0.000 0.895) 8.543 2.285 ( 5.247 -0.000 -1.237) 5.391 2.333 ( 0.219 -0.000 -1.914) 1.926 2.526 ( 0.012 -0.000 -16.108) 16.108 2.955 ( -2.094 0.000 2.228) 3.057 3.075 ( -3.373 0.000 -2.134) 3.991 3.115 ( 4.857 -0.000 2.882) 5.648 3.232 ( 5.615 -0.000 -2.055) 5.979 3.474 ( -1.121 0.000 0.264) 1.151 3.490 ( 1.424 -0.000 -1.007) 1.744 3.566 ( -1.816 0.000 -0.960) 2.054 3.576 ( -1.950 0.000 -1.406) 2.404 3.709 ( 1.822 -0.000 3.650) 4.079 3.865 ( 0.439 -0.000 -2.753) 2.788 3.946 ( -0.006 0.000 2.139) 2.139 3.970 ( -0.316 0.000 0.776) 0.838 4.410 ( -3.621 0.000 6.416) 7.367 4.440 ( 3.191 -0.000 3.926) 5.059 4.830 ( -2.348 0.000 -3.516) 4.228 4.880 ( -9.005 0.000 -3.797) 9.772 5.460 ( -1.871 0.000 3.858) 4.288 5.592 ( 0.143 -0.000 -1.200) 1.208 ======================= Grid point 179 (63/129) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -2.939 -0.059 0.947) 3.089 1.040 ( -1.431 0.038 -2.030) 2.484 1.218 ( -0.776 1.015 4.564) 4.740 1.340 ( 1.752 -0.075 2.498) 3.052 1.440 ( 2.683 0.736 1.585) 3.203 1.466 ( 2.513 0.750 1.218) 2.891 1.481 ( 1.910 -0.504 9.987) 10.180 1.493 ( 2.881 -0.346 1.618) 3.322 1.597 ( -2.429 0.461 0.042) 2.472 1.631 ( 2.128 -0.091 0.363) 2.160 1.771 ( 0.150 -0.321 0.341) 0.492 1.789 ( 6.556 -0.897 1.144) 6.715 1.805 ( -3.006 -0.201 0.097) 3.014 2.231 ( 0.936 0.084 0.654) 1.145 2.287 ( -2.036 0.817 -0.763) 2.322 2.322 ( 8.238 -0.145 1.001) 8.300 2.361 ( 2.042 -1.132 -0.476) 2.383 2.528 ( 0.312 0.000 -17.013) 17.016 2.901 ( -2.754 0.086 2.051) 3.434 3.009 ( -2.395 -0.062 -1.854) 3.029 3.220 ( 5.174 0.099 3.574) 6.289 3.355 ( 6.446 0.097 -1.988) 6.746 3.467 ( 0.007 -0.018 0.460) 0.461 3.526 ( -2.234 0.106 -1.112) 2.498 3.527 ( 1.582 0.109 -2.119) 2.646 3.543 ( -1.450 -0.071 -1.201) 1.884 3.737 ( 0.981 -0.002 3.835) 3.958 3.875 ( 0.868 0.012 -1.479) 1.715 3.937 ( -0.831 0.016 2.247) 2.396 3.946 ( -1.916 0.001 1.262) 2.294 4.355 ( -2.010 0.046 7.689) 7.947 4.499 ( 3.094 0.098 3.012) 4.319 4.726 ( -6.803 -0.088 -3.071) 7.464 4.789 ( -1.752 0.167 -5.022) 5.322 5.434 ( -0.877 -0.005 4.106) 4.199 5.592 ( -0.139 0.126 -1.941) 1.950 ======================= Grid point 180 (64/129) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 1.440 0.461 0.847) 1.733 1.012 ( -1.015 -0.806 -2.070) 2.442 1.178 ( -2.538 1.150 5.476) 6.144 1.362 ( 0.210 -0.713 -0.459) 0.874 1.432 ( -3.254 -0.156 6.038) 6.861 1.470 ( -2.371 0.153 0.134) 2.380 1.499 ( -0.453 0.799 4.389) 4.484 1.536 ( 1.399 -0.884 1.500) 2.234 1.574 ( 0.724 2.328 8.463) 8.807 1.669 ( 3.661 -3.164 -0.387) 4.854 1.751 ( -1.427 0.176 -4.942) 5.147 1.820 ( 1.266 1.314 1.195) 2.181 1.869 ( 0.235 -1.049 -0.548) 1.207 2.221 ( -0.010 1.405 -0.269) 1.431 2.251 ( -0.385 -0.269 0.330) 0.574 2.366 ( -0.705 -0.923 1.093) 1.594 2.440 ( 2.826 0.306 -0.751) 2.940 2.534 ( 0.049 -0.018 -16.940) 16.940 2.869 ( -0.282 -0.014 2.007) 2.027 2.994 ( 0.441 0.030 -2.494) 2.532 3.271 ( -0.556 -0.028 3.530) 3.573 3.431 ( -1.908 -0.078 -3.428) 3.924 3.465 ( 0.931 0.077 0.576) 1.097 3.488 ( 0.318 0.172 0.350) 0.503 3.522 ( -0.849 -0.424 -1.246) 1.566 3.548 ( 0.615 0.253 -2.389) 2.480 3.747 ( 0.008 0.008 4.026) 4.026 3.894 ( -0.170 0.010 -1.987) 1.994 3.915 ( 0.149 -0.000 2.154) 2.159 3.926 ( -0.037 -0.014 2.054) 2.054 4.334 ( -0.127 -0.004 8.011) 8.012 4.539 ( -0.637 -0.032 3.273) 3.335 4.650 ( 0.707 0.038 -3.536) 3.606 4.765 ( -0.672 0.001 -5.106) 5.150 5.426 ( 0.036 0.000 3.832) 3.832 5.585 ( -0.450 -0.000 -2.250) 2.295 ======================= Grid point 181 (65/129) ======================= q-point: (-0.58 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.824 0.144 0.472) 0.961 1.026 ( 2.806 0.604 -0.262) 2.882 1.118 ( -3.352 -1.954 4.541) 5.973 1.329 ( -6.548 -2.124 2.506) 7.326 1.353 ( -1.633 -0.941 -2.508) 3.137 1.401 ( -3.180 -1.107 0.009) 3.368 1.503 ( -3.680 0.318 10.643) 11.265 1.530 ( 0.819 0.331 2.342) 2.503 1.594 ( 2.426 2.224 3.400) 4.732 1.723 ( -1.859 3.206 -2.300) 4.362 1.769 ( -0.415 -1.804 -0.388) 1.892 1.787 ( 0.543 0.365 -0.018) 0.654 1.838 ( -1.015 -1.309 -1.586) 2.293 2.226 ( -2.059 -0.879 1.502) 2.696 2.245 ( -0.419 0.824 0.860) 1.263 2.355 ( -0.495 0.640 0.469) 0.935 2.442 ( -1.843 1.428 -1.519) 2.783 2.525 ( -0.858 -0.121 -16.765) 16.787 2.891 ( 2.285 -0.223 1.853) 2.951 3.017 ( 2.050 0.167 -2.803) 3.477 3.208 ( -5.151 -0.267 3.160) 6.049 3.343 ( -5.675 -0.313 -2.536) 6.224 3.470 ( -0.032 0.085 0.369) 0.380 3.507 ( -1.044 -0.496 -1.321) 1.756 3.517 ( 1.219 -0.195 -0.499) 1.331 3.553 ( 0.221 0.213 -1.657) 1.685 3.738 ( -0.929 0.022 3.655) 3.772 3.874 ( -0.911 -0.034 -1.564) 1.811 3.935 ( 0.753 -0.024 2.059) 2.193 3.945 ( 1.677 -0.018 1.075) 1.992 4.349 ( 1.496 -0.153 7.469) 7.619 4.487 ( -3.408 -0.289 2.633) 4.316 4.739 ( 6.797 0.424 -3.078) 7.474 4.767 ( 1.042 -0.608 -3.958) 4.138 5.436 ( 1.000 0.060 3.173) 3.328 5.575 ( -0.663 -0.377 -2.063) 2.199 ======================= Grid point 182 (66/129) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -5.477 -3.073 3.239) 7.066 0.988 ( -4.522 -1.251 2.233) 5.196 1.106 ( -1.212 0.728 -1.007) 1.736 1.213 ( -7.476 -2.100 -0.371) 7.774 1.329 ( -0.879 -4.148 -0.086) 4.241 1.393 ( -0.008 -1.215 -0.957) 1.546 1.398 ( -4.157 -0.298 8.638) 9.590 1.536 ( -4.474 3.242 1.623) 5.758 1.576 ( 1.875 1.686 1.754) 3.072 1.653 ( -5.060 2.824 -0.300) 5.802 1.720 ( 0.741 0.251 1.848) 2.007 1.826 ( 2.002 -0.294 3.385) 3.944 1.891 ( 2.148 -1.141 -3.050) 3.901 2.123 ( -9.110 -0.774 1.804) 9.319 2.148 ( -8.880 2.147 1.047) 9.196 2.336 ( -2.781 1.727 -0.120) 3.276 2.368 ( -4.473 1.169 -1.175) 4.770 2.518 ( 0.406 -0.216 -16.215) 16.222 2.943 ( 2.319 -0.361 1.898) 3.019 3.069 ( 2.698 -0.303 -2.552) 3.726 3.115 ( -3.790 0.046 2.484) 4.532 3.238 ( -4.791 0.158 -2.488) 5.401 3.476 ( 0.823 0.141 -0.158) 0.850 3.485 ( -0.588 -0.085 -0.648) 0.879 3.548 ( 1.949 -0.677 -0.743) 2.193 3.570 ( 1.584 -0.219 -1.568) 2.240 3.710 ( -1.846 0.036 3.552) 4.003 3.859 ( -0.999 -0.205 -2.800) 2.980 3.944 ( -0.033 -0.072 2.019) 2.020 3.963 ( -0.003 -0.206 0.976) 0.997 4.386 ( 1.937 -0.756 6.170) 6.511 4.424 ( -3.449 -0.529 3.566) 4.989 4.793 ( 1.986 -0.928 -1.386) 2.594 4.900 ( 9.262 0.473 -4.144) 10.158 5.464 ( 2.041 0.231 2.405) 3.163 5.565 ( -0.656 -0.887 -1.261) 1.675 ======================= Grid point 183 (67/129) ======================= q-point: (-0.42 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -11.402 -3.993 4.355) 12.842 0.928 ( -4.333 0.843 2.297) 4.976 1.017 ( -6.460 0.002 -0.837) 6.514 1.062 ( -8.628 -1.714 0.354) 8.804 1.297 ( -4.378 -6.185 4.792) 8.965 1.349 ( -3.284 0.521 2.643) 4.247 1.389 ( -2.383 -2.850 -1.443) 3.985 1.487 ( 1.959 1.775 -1.195) 2.901 1.529 ( -4.362 3.817 2.926) 6.493 1.631 ( 2.663 1.866 0.281) 3.264 1.724 ( -1.851 -0.493 2.818) 3.408 1.853 ( -0.421 0.029 5.193) 5.211 1.875 ( -5.349 0.126 -0.755) 5.404 1.910 ( -10.465 -0.519 1.700) 10.615 1.954 ( -7.161 2.906 -0.922) 7.783 2.199 ( -8.822 2.037 0.626) 9.076 2.267 ( -6.738 0.253 -2.024) 7.040 2.540 ( 1.733 0.476 -15.167) 15.273 2.956 ( -1.495 -0.087 2.101) 2.580 3.058 ( -1.441 0.309 1.807) 2.332 3.100 ( -0.986 0.521 -3.504) 3.677 3.176 ( -1.271 0.424 -2.970) 3.258 3.492 ( 1.697 -0.057 0.302) 1.724 3.514 ( 2.260 0.032 -0.576) 2.333 3.566 ( -3.948 -0.321 0.132) 3.963 3.601 ( 3.220 -0.220 -0.485) 3.264 3.717 ( 4.377 -0.005 1.612) 4.664 3.826 ( -2.875 -1.051 -3.546) 4.685 3.936 ( -0.581 -0.072 1.424) 1.540 3.952 ( -0.796 -0.160 0.614) 1.017 4.355 ( -3.902 -0.775 5.235) 6.575 4.425 ( 0.817 -2.777 4.170) 5.077 4.847 ( 3.099 -0.939 2.000) 3.806 5.081 ( 9.539 0.781 -5.622) 11.100 5.510 ( 2.858 0.362 2.020) 3.518 5.564 ( 0.157 -1.189 0.131) 1.207 ======================= Grid point 184 (68/129) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -10.617 0.542 4.698) 11.623 0.766 ( -10.104 2.786 3.321) 10.994 0.888 ( -8.653 -0.066 0.154) 8.655 0.955 ( -1.949 -0.530 0.683) 2.132 1.208 ( -11.226 -4.308 8.694) 14.838 1.282 ( -2.551 0.620 2.378) 3.542 1.337 ( -4.199 -3.765 1.445) 5.821 1.402 ( -4.270 3.453 -0.593) 5.524 1.512 ( -1.888 -1.346 -4.854) 5.379 1.627 ( -4.094 -1.252 4.694) 6.353 1.682 ( -4.748 -0.197 -2.020) 5.163 1.701 ( -0.503 0.039 2.223) 2.280 1.778 ( -4.030 -0.106 -0.441) 4.056 1.846 ( -5.315 0.076 -2.960) 6.084 1.893 ( 0.912 0.241 7.480) 7.539 2.024 ( -6.639 2.101 1.921) 7.224 2.122 ( -6.638 2.507 -1.771) 7.313 2.581 ( 3.029 1.198 -15.287) 15.631 2.891 ( -4.717 0.238 1.844) 5.070 3.010 ( -5.149 1.164 -2.992) 6.068 3.058 ( -0.843 0.879 0.149) 1.228 3.178 ( 1.060 0.293 -4.893) 5.015 3.437 ( -7.756 -0.343 1.275) 7.867 3.519 ( -3.453 -0.967 -3.317) 4.885 3.543 ( 2.471 -0.153 1.898) 3.119 3.663 ( 2.809 0.401 -1.246) 3.099 3.773 ( -0.925 -1.477 1.484) 2.289 3.838 ( 5.041 0.089 -0.744) 5.096 3.931 ( 0.634 -0.008 0.391) 0.745 3.950 ( 0.525 0.139 -1.078) 1.207 4.286 ( -3.536 -1.089 7.007) 7.924 4.436 ( -2.310 -6.613 2.813) 7.548 4.915 ( 3.454 -0.233 4.798) 5.917 5.240 ( 6.954 0.901 -7.696) 10.411 5.566 ( 2.935 -0.543 3.198) 4.375 5.593 ( 2.632 -0.070 1.154) 2.875 ======================= Grid point 185 (69/129) ======================= q-point: (-0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -4.098 7.666 5.326) 10.195 0.566 ( -7.830 5.171 6.804) 11.591 0.725 ( -7.809 3.051 -1.710) 8.557 0.895 ( -9.836 0.955 10.680) 14.551 0.968 ( -4.311 3.134 1.360) 5.501 1.228 ( -3.904 -0.884 0.822) 4.087 1.286 ( -2.245 -4.122 1.292) 4.869 1.362 ( -3.696 -2.744 3.668) 5.886 1.423 ( -1.927 -3.355 -1.673) 4.215 1.602 ( -1.669 -3.674 0.536) 4.071 1.649 ( -2.059 -2.014 -1.171) 3.109 1.673 ( -1.558 -1.938 -0.048) 2.488 1.734 ( -1.079 -0.143 -2.081) 2.349 1.740 ( -4.271 1.501 -2.557) 5.200 1.870 ( -2.002 -0.111 4.306) 4.750 1.998 ( 3.515 3.454 0.411) 4.945 2.027 ( -0.462 4.054 3.215) 5.194 2.643 ( 3.792 1.235 -16.100) 16.586 2.799 ( -4.104 0.210 1.278) 4.304 2.886 ( -6.069 0.804 -3.156) 6.888 3.045 ( -0.559 0.509 0.412) 0.861 3.167 ( -4.526 -0.140 -7.874) 9.083 3.301 ( -5.575 -0.005 1.679) 5.822 3.393 ( -8.134 -2.371 -3.068) 9.011 3.587 ( 1.812 0.065 1.858) 2.596 3.696 ( 1.196 0.879 -2.215) 2.666 3.811 ( 3.597 -0.869 4.713) 5.992 3.865 ( -0.902 0.223 -0.420) 1.020 3.958 ( -0.169 -0.212 -0.963) 1.000 3.975 ( 2.244 0.130 0.925) 2.430 4.236 ( -2.821 -2.694 7.691) 8.624 4.409 ( -3.990 -9.569 3.526) 10.951 4.972 ( 2.374 0.468 5.872) 6.351 5.328 ( 2.702 0.438 -8.861) 9.274 5.628 ( 2.657 0.324 3.088) 4.087 5.659 ( 4.170 -0.624 2.354) 4.829 ======================= Grid point 186 (70/129) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( -0.000 12.811 3.337) 13.238 0.448 ( -0.000 8.322 11.643) 14.311 0.581 ( -0.000 3.679 0.940) 3.797 0.763 ( -0.000 2.778 17.583) 17.801 0.941 ( -0.000 1.734 -9.096) 9.259 1.193 ( 0.000 -4.274 -1.832) 4.650 1.279 ( 0.000 -1.053 4.874) 4.986 1.328 ( 0.000 -2.124 6.345) 6.691 1.441 ( 0.000 -3.359 -2.183) 4.006 1.600 ( 0.000 -8.592 0.194) 8.594 1.630 ( 0.000 -1.318 0.812) 1.548 1.683 ( 0.000 -0.941 -1.911) 2.130 1.691 ( -0.000 1.029 -1.350) 1.698 1.718 ( -0.000 0.796 -4.588) 4.657 1.855 ( -0.000 0.262 2.899) 2.910 1.983 ( -0.000 5.203 -0.727) 5.254 2.090 ( -0.000 1.901 0.455) 1.955 2.687 ( -0.000 0.705 -18.106) 18.119 2.754 ( -0.000 0.138 1.007) 1.016 2.810 ( -0.000 0.193 -1.076) 1.093 3.032 ( -0.000 0.220 0.426) 0.479 3.036 ( -0.000 0.153 0.311) 0.346 3.241 ( -0.000 0.420 1.603) 1.657 3.332 ( 0.000 -0.937 -2.377) 2.555 3.605 ( -0.000 0.160 1.558) 1.566 3.703 ( -0.000 1.031 -2.045) 2.290 3.848 ( -0.000 0.077 0.569) 0.574 3.880 ( -0.000 0.065 -0.574) 0.578 3.941 ( 0.000 -1.657 4.085) 4.408 3.993 ( -0.000 0.170 1.623) 1.632 4.217 ( 0.000 -5.588 9.253) 10.810 4.411 ( 0.000 -9.115 3.870) 9.903 4.994 ( -0.000 0.601 5.892) 5.923 5.350 ( -0.000 0.245 -9.004) 9.007 5.649 ( -0.000 0.953 3.068) 3.213 5.724 ( 0.000 -2.516 1.159) 2.770 ======================= Grid point 191 (71/129) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 1.771 -0.000 0.589) 1.867 1.007 ( -1.288 0.000 -2.012) 2.389 1.184 ( -2.841 0.000 5.810) 6.467 1.357 ( -0.280 0.000 0.084) 0.293 1.432 ( -3.594 0.000 6.369) 7.312 1.471 ( -1.708 0.000 0.259) 1.727 1.506 ( -1.928 0.000 1.502) 2.444 1.528 ( 1.874 -0.000 3.500) 3.970 1.592 ( 0.548 -0.000 9.388) 9.404 1.648 ( 4.698 -0.000 -1.509) 4.934 1.752 ( -1.444 0.000 -4.908) 5.116 1.829 ( 1.886 -0.000 0.945) 2.110 1.862 ( -0.159 0.000 -0.177) 0.238 2.229 ( -0.135 0.000 -0.629) 0.643 2.249 ( -0.258 0.000 -0.059) 0.265 2.361 ( -0.749 0.000 1.488) 1.666 2.442 ( 3.151 -0.000 -0.645) 3.216 2.534 ( 0.058 -0.000 -16.900) 16.900 2.869 ( -0.327 0.000 2.003) 2.030 2.994 ( 0.510 -0.000 -2.507) 2.558 3.271 ( -0.642 0.000 3.521) 3.579 3.430 ( -2.156 0.000 -3.414) 4.038 3.465 ( 1.018 -0.000 0.563) 1.163 3.489 ( 0.399 -0.000 0.364) 0.540 3.520 ( -0.916 0.000 -1.268) 1.564 3.549 ( 0.623 -0.000 -2.379) 2.459 3.747 ( 0.009 -0.000 4.024) 4.024 3.894 ( -0.198 0.000 -1.991) 2.000 3.915 ( 0.175 -0.000 2.150) 2.157 3.926 ( -0.044 0.000 2.062) 2.062 4.334 ( -0.147 0.000 8.010) 8.011 4.538 ( -0.734 0.000 3.265) 3.346 4.650 ( 0.814 -0.000 -3.529) 3.621 4.765 ( -0.776 0.000 -5.103) 5.162 5.426 ( 0.041 -0.000 3.832) 3.832 5.585 ( -0.519 0.000 -2.251) 2.310 ======================= Grid point 192 (72/129) ======================= q-point: (-0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -0.545 -0.234 0.374) 0.701 1.035 ( 5.517 0.808 -0.506) 5.599 1.103 ( -5.658 -0.875 5.334) 7.826 1.308 ( -5.122 -1.409 1.477) 5.513 1.354 ( -3.864 0.456 -0.671) 3.948 1.392 ( -3.092 -0.663 -1.785) 3.632 1.505 ( -4.683 0.127 10.694) 11.675 1.531 ( 2.186 0.027 1.736) 2.791 1.613 ( 2.560 1.247 4.388) 5.231 1.745 ( 1.363 0.697 -2.427) 2.869 1.755 ( -0.547 -0.421 -1.912) 2.032 1.797 ( -1.203 1.770 0.307) 2.162 1.819 ( -1.744 -2.319 -0.539) 2.952 2.220 ( -2.237 -0.306 1.361) 2.636 2.251 ( -0.967 0.380 0.436) 1.126 2.359 ( 0.652 0.209 0.616) 0.921 2.451 ( -1.691 0.515 -1.453) 2.288 2.524 ( -0.972 -0.055 -16.704) 16.732 2.889 ( 2.222 -0.081 1.828) 2.879 3.018 ( 1.954 0.061 -2.948) 3.537 3.206 ( -5.121 -0.098 3.092) 5.983 3.340 ( -5.578 -0.118 -2.633) 6.170 3.470 ( -0.024 0.036 0.361) 0.364 3.504 ( -0.977 -0.189 -1.198) 1.558 3.516 ( 1.030 -0.071 -0.426) 1.116 3.554 ( 0.069 0.078 -1.704) 1.707 3.738 ( -0.922 0.009 3.626) 3.742 3.873 ( -0.920 -0.013 -1.577) 1.826 3.935 ( 0.737 -0.008 2.036) 2.165 3.945 ( 1.649 -0.008 1.044) 1.952 4.348 ( 1.409 -0.058 7.432) 7.564 4.485 ( -3.454 -0.107 2.576) 4.310 4.742 ( 7.154 0.210 -3.121) 7.808 4.762 ( 0.572 -0.276 -3.748) 3.802 5.436 ( 1.040 0.025 3.025) 3.198 5.573 ( -0.802 -0.140 -2.078) 2.232 ======================= Grid point 193 (73/129) ======================= q-point: (-0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -8.002 -2.396 4.643) 9.557 0.986 ( -2.846 0.131 2.072) 3.522 1.111 ( -0.858 0.225 -1.324) 1.594 1.196 ( -7.481 -1.175 -1.285) 7.681 1.297 ( -1.633 -2.205 0.111) 2.746 1.379 ( 0.289 -1.090 -2.520) 2.761 1.400 ( -4.638 0.169 9.365) 10.452 1.563 ( -1.279 1.896 0.137) 2.291 1.592 ( -1.695 1.592 3.774) 4.433 1.668 ( -5.143 0.214 0.439) 5.166 1.729 ( 1.512 1.498 0.084) 2.130 1.824 ( 2.011 -0.053 3.563) 4.092 1.876 ( 2.204 -1.573 -3.041) 4.072 2.116 ( -8.920 -0.576 2.053) 9.172 2.166 ( -7.706 1.310 0.365) 7.825 2.350 ( -2.529 0.993 -0.024) 2.717 2.377 ( -5.546 0.718 -1.018) 5.684 2.516 ( 0.606 -0.114 -16.254) 16.266 2.940 ( 2.359 -0.210 1.816) 2.985 3.066 ( 2.542 -0.203 -2.624) 3.659 3.115 ( -3.534 0.039 2.382) 4.262 3.239 ( -4.559 0.086 -2.573) 5.236 3.477 ( 0.953 0.176 -0.145) 0.980 3.485 ( -0.558 -0.085 -0.800) 0.979 3.542 ( 1.977 -0.451 -0.593) 2.113 3.568 ( 1.480 -0.130 -1.611) 2.192 3.710 ( -1.848 0.024 3.530) 3.984 3.857 ( -1.167 -0.124 -2.799) 3.035 3.943 ( -0.044 -0.038 1.992) 1.993 3.962 ( -0.084 -0.122 1.029) 1.040 4.380 ( 1.531 -0.450 6.122) 6.326 4.419 ( -3.555 -0.312 3.467) 4.975 4.785 ( 1.895 -0.505 -0.947) 2.178 4.904 ( 9.363 0.255 -4.159) 10.249 5.466 ( 2.160 0.178 2.019) 2.962 5.558 ( -0.846 -0.550 -1.240) 1.599 ======================= Grid point 194 (74/129) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -9.505 -2.351 4.147) 10.634 0.939 ( -2.810 1.297 2.635) 4.065 1.015 ( -8.366 -0.359 -2.072) 8.627 1.044 ( -7.371 -1.772 0.961) 7.641 1.239 ( -5.968 -4.765 5.229) 9.255 1.351 ( -4.062 -0.934 0.312) 4.179 1.368 ( -1.597 -0.609 1.183) 2.079 1.511 ( 0.730 2.696 -0.196) 2.800 1.555 ( -2.253 1.278 1.693) 3.094 1.651 ( 2.106 1.985 -0.005) 2.894 1.723 ( -2.930 0.368 1.890) 3.505 1.855 ( 0.127 0.257 5.760) 5.767 1.864 ( -4.474 -1.746 -1.239) 4.960 1.902 ( -11.604 -0.887 2.374) 11.878 1.985 ( -8.051 2.821 -1.210) 8.616 2.217 ( -9.080 1.565 0.406) 9.223 2.269 ( -6.223 0.028 -1.910) 6.510 2.544 ( 2.097 0.359 -14.924) 15.074 2.955 ( -1.306 -0.075 2.091) 2.466 3.061 ( -1.214 0.228 1.869) 2.240 3.105 ( -0.359 0.444 -3.632) 3.676 3.179 ( -1.350 0.299 -2.924) 3.234 3.491 ( 1.610 0.006 0.208) 1.623 3.515 ( 2.164 0.024 -0.632) 2.255 3.563 ( -3.980 -0.236 0.008) 3.987 3.599 ( 3.564 -0.197 -0.510) 3.606 3.717 ( 4.395 0.023 1.661) 4.698 3.816 ( -3.490 -0.887 -3.219) 4.830 3.936 ( -0.572 -0.067 1.510) 1.616 3.951 ( -0.615 -0.111 0.701) 0.939 4.348 ( -3.981 -0.530 5.101) 6.492 4.400 ( -0.483 -2.110 4.509) 5.002 4.839 ( 3.367 -0.584 2.676) 4.340 5.088 ( 9.619 0.528 -5.715) 11.201 5.515 ( 2.904 0.547 1.431) 3.283 5.552 ( 0.143 -1.125 0.289) 1.170 ======================= Grid point 195 (75/129) ======================= q-point: (-0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -6.647 2.618 3.366) 7.897 0.792 ( -9.810 2.158 1.509) 10.157 0.887 ( -6.799 0.104 2.247) 7.161 0.951 ( -2.113 -0.094 3.157) 3.800 1.145 ( -7.727 -7.310 5.786) 12.108 1.276 ( -3.650 -2.445 -0.404) 4.411 1.313 ( -3.886 -0.281 4.749) 6.143 1.453 ( -6.965 5.950 0.501) 9.174 1.505 ( -4.204 0.036 -4.515) 6.169 1.614 ( -3.302 -1.314 3.603) 5.061 1.677 ( -6.300 -0.832 0.437) 6.370 1.705 ( 0.391 0.619 0.539) 0.909 1.756 ( -6.733 -3.619 -0.559) 7.664 1.858 ( -4.850 1.593 -2.309) 5.603 1.896 ( 0.959 0.469 7.192) 7.271 2.044 ( -6.316 1.684 2.432) 6.975 2.144 ( -5.557 1.847 -2.181) 6.249 2.592 ( 3.270 1.040 -14.838) 15.229 2.893 ( -4.643 0.195 1.934) 5.033 3.022 ( -4.654 1.098 -2.800) 5.541 3.067 ( -1.140 0.917 -0.118) 1.468 3.180 ( 0.986 0.169 -4.550) 4.659 3.434 ( -7.783 -0.278 1.118) 7.868 3.509 ( -4.646 -1.030 -3.260) 5.768 3.542 ( 2.574 -0.127 1.898) 3.200 3.667 ( 3.080 0.372 -1.435) 3.418 3.759 ( -0.763 -1.293 2.369) 2.805 3.838 ( 5.384 -0.040 -0.609) 5.418 3.931 ( 0.642 -0.026 0.658) 0.920 3.951 ( 0.515 0.078 -0.932) 1.068 4.276 ( -3.667 -0.755 6.858) 7.813 4.374 ( -4.136 -5.515 4.466) 8.214 4.913 ( 3.888 -0.083 5.256) 6.538 5.248 ( 6.788 0.641 -7.869) 10.412 5.561 ( 2.570 -0.420 3.197) 4.123 5.593 ( 3.312 0.001 0.760) 3.398 ======================= Grid point 196 (76/129) ======================= q-point: (-0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -0.235 9.589 3.064) 10.069 0.612 ( -6.507 3.897 5.218) 9.206 0.754 ( -6.263 2.973 2.356) 7.322 0.895 ( -6.742 -0.859 7.331) 9.997 1.000 ( -4.793 2.748 4.303) 7.003 1.218 ( -6.494 -1.933 -0.152) 6.777 1.249 ( -0.511 -2.430 1.507) 2.905 1.340 ( -3.678 -1.286 4.063) 5.629 1.389 ( -3.504 -3.392 -0.796) 4.942 1.566 ( -5.706 -3.672 0.807) 6.834 1.627 ( -2.002 -2.226 -0.708) 3.076 1.652 ( -0.557 -2.098 -0.414) 2.209 1.735 ( 0.210 0.384 -3.251) 3.280 1.757 ( -4.368 1.703 -2.868) 5.496 1.868 ( -2.119 -0.192 5.772) 6.152 2.028 ( 4.034 2.587 2.829) 5.565 2.063 ( -1.113 3.066 0.898) 3.383 2.655 ( 3.625 1.273 -15.466) 15.936 2.801 ( -4.168 0.209 1.320) 4.377 2.894 ( -6.581 0.824 -3.173) 7.352 3.050 ( -0.803 0.529 0.584) 1.125 3.165 ( -5.203 -0.241 -6.941) 8.678 3.300 ( -5.270 -0.093 1.507) 5.482 3.369 ( -7.488 -2.307 -2.011) 8.089 3.587 ( 1.902 0.046 2.027) 2.780 3.705 ( 1.429 0.901 -2.402) 2.936 3.802 ( 3.696 -0.931 5.802) 6.942 3.867 ( -0.990 0.151 -0.337) 1.056 3.955 ( -0.785 -0.414 -0.716) 1.140 3.976 ( 2.336 0.151 1.284) 2.670 4.209 ( -4.690 -2.556 8.589) 10.115 4.327 ( -2.695 -6.844 5.066) 8.931 4.977 ( 2.595 0.480 6.026) 6.578 5.330 ( 2.306 0.114 -8.594) 8.899 5.630 ( 3.594 0.108 3.063) 4.724 5.656 ( 3.266 0.006 1.567) 3.622 ======================= Grid point 197 (77/129) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -0.000 10.988 3.834) 11.638 0.535 ( -0.000 8.862 9.358) 12.888 0.619 ( -0.000 4.038 -1.907) 4.465 0.795 ( -0.000 3.437 18.800) 19.112 0.961 ( -0.000 2.225 -7.930) 8.236 1.154 ( 0.000 -3.156 -0.082) 3.157 1.266 ( 0.000 -1.366 4.001) 4.228 1.299 ( 0.000 -3.436 6.372) 7.239 1.403 ( 0.000 -4.143 -1.879) 4.549 1.517 ( 0.000 -7.768 1.196) 7.860 1.616 ( 0.000 -1.469 1.161) 1.873 1.672 ( 0.000 -1.391 -3.380) 3.655 1.701 ( -0.000 0.952 -1.825) 2.059 1.730 ( -0.000 1.413 -5.088) 5.280 1.853 ( 0.000 -0.458 5.008) 5.029 2.029 ( -0.000 3.996 -1.242) 4.184 2.105 ( -0.000 1.233 1.511) 1.950 2.695 ( -0.000 0.868 -17.105) 17.127 2.756 ( -0.000 0.160 0.989) 1.002 2.813 ( -0.000 0.222 -1.115) 1.137 3.034 ( -0.000 0.253 0.395) 0.469 3.037 ( -0.000 0.176 0.309) 0.356 3.245 ( -0.000 0.326 1.645) 1.677 3.323 ( 0.000 -0.824 -2.362) 2.501 3.607 ( -0.000 0.153 1.766) 1.773 3.714 ( -0.000 1.167 -2.251) 2.535 3.849 ( -0.000 0.090 0.579) 0.586 3.880 ( -0.000 0.075 -0.558) 0.563 3.919 ( 0.000 -2.719 7.042) 7.549 3.995 ( -0.000 0.225 2.136) 2.148 4.164 ( 0.000 -4.545 10.856) 11.769 4.338 ( 0.000 -5.675 3.773) 6.814 5.000 ( -0.000 0.672 6.004) 6.042 5.351 ( 0.000 -0.172 -8.487) 8.489 5.660 ( -0.000 1.076 2.243) 2.487 5.704 ( 0.000 -1.466 1.597) 2.168 ======================= Grid point 204 (78/129) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -8.357 0.000 4.940) 9.707 0.987 ( -2.697 0.000 2.262) 3.520 1.111 ( -0.958 0.000 -1.356) 1.660 1.190 ( -7.375 0.000 -1.644) 7.556 1.286 ( -1.860 0.000 0.066) 1.861 1.374 ( 0.086 -0.000 -2.803) 2.804 1.401 ( -4.483 0.000 9.351) 10.371 1.572 ( 0.916 -0.000 -1.014) 1.366 1.602 ( -4.480 0.000 5.537) 7.122 1.666 ( -4.203 0.000 0.362) 4.219 1.739 ( 1.138 -0.000 -0.616) 1.294 1.824 ( 1.956 -0.000 3.576) 4.076 1.867 ( 2.404 -0.000 -2.952) 3.807 2.113 ( -8.895 0.000 2.135) 9.148 2.172 ( -7.249 0.000 0.112) 7.249 2.355 ( -2.504 0.000 -0.001) 2.504 2.381 ( -5.911 0.000 -0.961) 5.989 2.516 ( 0.693 -0.000 -16.269) 16.284 2.939 ( 2.372 -0.000 1.786) 2.969 3.065 ( 2.492 -0.000 -2.651) 3.639 3.115 ( -3.447 0.000 2.348) 4.171 3.240 ( -4.470 0.000 -2.602) 5.172 3.478 ( 1.137 -0.000 -0.053) 1.138 3.484 ( -0.681 0.000 -0.965) 1.181 3.539 ( 1.987 -0.000 -0.519) 2.054 3.567 ( 1.440 -0.000 -1.628) 2.173 3.710 ( -1.848 0.000 3.522) 3.977 3.856 ( -1.231 0.000 -2.797) 3.056 3.943 ( -0.048 0.000 1.983) 1.984 3.961 ( -0.114 0.000 1.049) 1.055 4.378 ( 1.381 -0.000 6.105) 6.259 4.418 ( -3.596 0.000 3.430) 4.969 4.783 ( 1.867 -0.000 -0.790) 2.027 4.905 ( 9.399 -0.000 -4.163) 10.280 5.467 ( 2.218 -0.000 1.873) 2.903 5.555 ( -0.930 0.000 -1.226) 1.539 ======================= Grid point 206 (79/129) ======================= q-point: (-0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -8.158 -0.745 3.886) 9.067 0.951 ( -1.369 0.909 2.862) 3.300 1.011 ( -9.480 -0.267 -2.357) 9.772 1.029 ( -7.136 -1.066 0.780) 7.257 1.207 ( -6.975 -1.625 5.955) 9.314 1.339 ( -4.410 -0.793 -2.243) 5.011 1.369 ( -1.420 0.218 3.442) 3.730 1.537 ( -0.018 2.304 1.292) 2.642 1.555 ( -1.035 -1.054 0.394) 1.529 1.666 ( 2.346 0.826 0.049) 2.487 1.730 ( -3.628 0.672 0.853) 3.787 1.847 ( -5.254 -1.148 -2.114) 5.779 1.858 ( 1.546 0.214 7.038) 7.209 1.895 ( -12.648 -0.476 2.647) 12.930 2.005 ( -8.411 1.068 -1.537) 8.617 2.228 ( -9.349 0.602 0.287) 9.372 2.268 ( -5.787 -0.043 -1.798) 6.060 2.547 ( 2.294 0.133 -14.782) 14.960 2.954 ( -1.197 -0.030 2.082) 2.402 3.063 ( -1.077 0.084 1.909) 2.193 3.108 ( 0.057 0.177 -3.738) 3.742 3.181 ( -1.420 0.106 -2.898) 3.229 3.492 ( 1.536 0.014 0.145) 1.543 3.515 ( 2.113 0.009 -0.660) 2.214 3.561 ( -3.996 -0.087 -0.066) 3.997 3.597 ( 3.783 -0.082 -0.525) 3.820 3.717 ( 4.441 0.017 1.683) 4.749 3.810 ( -3.922 -0.354 -2.982) 4.940 3.935 ( -0.575 -0.028 1.562) 1.664 3.950 ( -0.510 -0.039 0.748) 0.906 4.345 ( -4.012 -0.174 5.015) 6.425 4.386 ( -1.223 -0.797 4.723) 4.943 4.835 ( 3.527 -0.195 3.021) 4.648 5.091 ( 9.660 0.185 -5.758) 11.247 5.520 ( 3.250 0.404 0.938) 3.407 5.543 ( -0.177 -0.610 0.541) 0.835 ======================= Grid point 207 (80/129) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -3.240 2.554 1.531) 4.400 0.807 ( -10.048 0.861 -0.900) 10.125 0.893 ( -5.614 1.052 5.658) 8.039 0.953 ( -0.910 0.326 4.223) 4.333 1.076 ( -7.840 -5.996 5.761) 11.428 1.249 ( -4.777 -2.334 -2.013) 5.685 1.317 ( -3.101 0.586 6.171) 6.931 1.492 ( -6.629 1.026 -2.498) 7.158 1.528 ( -6.881 4.766 -1.045) 8.436 1.604 ( -2.306 -0.679 2.298) 3.326 1.665 ( -7.210 -1.673 1.296) 7.514 1.710 ( -2.424 0.034 0.716) 2.527 1.719 ( -5.186 -2.821 -1.017) 5.990 1.870 ( -4.158 0.799 -0.200) 4.239 1.901 ( 0.104 0.485 5.410) 5.432 2.057 ( -6.118 0.929 2.847) 6.811 2.158 ( -4.985 0.953 -2.515) 5.665 2.600 ( 3.458 0.604 -14.489) 14.909 2.895 ( -4.585 0.108 2.001) 5.004 3.031 ( -4.147 0.653 -2.519) 4.896 3.075 ( -1.500 0.648 -0.585) 1.735 3.181 ( 0.928 0.044 -4.254) 4.354 3.432 ( -7.792 -0.147 1.003) 7.857 3.500 ( -5.674 -0.707 -3.133) 6.520 3.541 ( 2.640 -0.071 1.898) 3.252 3.670 ( 3.295 0.223 -1.618) 3.678 3.749 ( -0.572 -0.763 3.079) 3.223 3.838 ( 5.640 -0.064 -0.468) 5.660 3.930 ( 0.657 -0.024 0.847) 1.072 3.951 ( 0.477 0.027 -0.837) 0.964 4.272 ( -3.490 -0.152 6.687) 7.544 4.330 ( -5.401 -3.290 5.567) 8.425 4.913 ( 4.165 -0.015 5.508) 6.905 5.252 ( 6.628 0.323 -7.946) 10.352 5.557 ( 2.399 -0.224 3.209) 4.013 5.593 ( 3.755 0.025 0.500) 3.788 ======================= Grid point 208 (81/129) ======================= q-point: (-0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 2.143 8.922 0.250) 9.180 0.641 ( -5.694 2.029 3.409) 6.940 0.784 ( -5.064 2.794 6.851) 8.966 0.880 ( -6.441 -2.038 8.801) 11.094 1.015 ( -0.971 0.179 3.282) 3.428 1.185 ( -4.524 -3.721 -1.864) 6.147 1.246 ( -2.798 1.132 2.776) 4.100 1.330 ( -6.570 -1.982 4.903) 8.434 1.370 ( -4.132 0.991 -1.193) 4.413 1.527 ( -9.133 -4.378 1.165) 10.195 1.610 ( -0.833 -1.176 0.170) 1.451 1.633 ( 0.168 -1.786 -1.434) 2.297 1.739 ( 0.733 0.383 -3.636) 3.729 1.772 ( -4.831 1.096 -3.135) 5.862 1.867 ( -2.176 -0.035 6.728) 7.071 2.049 ( 3.942 1.730 5.064) 6.647 2.086 ( -1.434 1.619 -0.876) 2.333 2.667 ( 3.503 0.972 -14.881) 15.319 2.803 ( -4.217 0.152 1.363) 4.435 2.901 ( -7.149 0.622 -3.231) 7.870 3.055 ( -1.040 0.402 0.728) 1.332 3.163 ( -5.798 -0.281 -6.011) 8.356 3.299 ( -5.144 -0.136 1.450) 5.346 3.349 ( -6.446 -1.591 -1.256) 6.757 3.588 ( 1.970 0.022 2.186) 2.943 3.713 ( 1.608 0.673 -2.592) 3.124 3.793 ( 3.688 -0.719 6.736) 7.713 3.868 ( -1.058 0.067 -0.250) 1.090 3.951 ( -1.366 -0.404 -0.570) 1.534 3.977 ( 2.421 0.110 1.603) 2.905 4.188 ( -5.911 -1.572 9.076) 10.945 4.273 ( -0.924 -3.988 5.271) 6.674 4.981 ( 2.750 0.349 6.132) 6.730 5.331 ( 1.968 -0.045 -8.247) 8.479 5.630 ( 4.183 -0.005 3.118) 5.217 5.658 ( 2.845 0.268 0.956) 3.014 ======================= Grid point 209 (82/129) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -0.000 6.269 6.124) 8.764 0.618 ( -0.000 7.489 7.799) 10.813 0.664 ( -0.000 5.443 -3.226) 6.327 0.824 ( -0.000 1.905 17.329) 17.434 0.983 ( -0.000 2.216 -6.616) 6.977 1.135 ( 0.000 -0.755 1.239) 1.451 1.253 ( 0.000 -1.282 2.857) 3.132 1.265 ( 0.000 -3.008 6.535) 7.194 1.361 ( 0.000 -4.141 -1.583) 4.434 1.446 ( 0.000 -6.503 2.074) 6.826 1.602 ( 0.000 -1.218 1.519) 1.947 1.657 ( 0.000 -1.556 -4.330) 4.601 1.709 ( -0.000 0.683 -2.211) 2.314 1.743 ( -0.000 0.982 -5.303) 5.393 1.849 ( 0.000 -0.252 6.320) 6.325 2.061 ( -0.000 2.366 -2.085) 3.154 2.115 ( -0.000 0.670 4.266) 4.319 2.703 ( -0.000 0.826 -16.120) 16.141 2.757 ( -0.000 0.138 0.972) 0.982 2.815 ( -0.000 0.191 -1.154) 1.170 3.036 ( -0.000 0.219 0.365) 0.426 3.039 ( -0.000 0.150 0.308) 0.342 3.248 ( -0.000 0.218 1.709) 1.723 3.316 ( 0.000 -0.552 -2.392) 2.455 3.608 ( -0.000 0.105 2.003) 2.006 3.725 ( -0.000 0.988 -2.478) 2.668 3.850 ( -0.000 0.078 0.590) 0.595 3.881 ( -0.000 0.065 -0.543) 0.547 3.891 ( 0.000 -2.646 9.591) 9.949 3.997 ( -0.000 0.195 2.665) 2.672 4.131 ( 0.000 -2.094 9.757) 9.979 4.292 ( 0.000 -3.711 3.303) 4.968 5.006 ( -0.000 0.564 6.100) 6.126 5.348 ( 0.000 -0.333 -7.848) 7.855 5.670 ( -0.000 0.921 1.776) 2.001 5.694 ( 0.000 -0.684 1.540) 1.685 ======================= Grid point 218 (83/129) ======================= q-point: (-0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -1.830 0.000 0.578) 1.919 0.810 ( -10.121 0.000 -1.911) 10.300 0.901 ( -5.835 0.000 7.881) 9.806 0.955 ( 1.464 -0.000 3.408) 3.710 1.042 ( -9.490 0.000 6.543) 11.527 1.236 ( -5.120 0.000 -2.409) 5.659 1.320 ( -2.866 0.000 6.436) 7.045 1.496 ( -7.647 0.000 -3.098) 8.250 1.559 ( -4.905 0.000 -0.312) 4.915 1.602 ( -3.333 0.000 1.690) 3.737 1.650 ( -8.036 0.000 0.841) 8.080 1.701 ( -9.723 0.000 1.835) 9.894 1.714 ( 1.920 -0.000 -1.398) 2.375 1.874 ( -3.642 0.000 1.008) 3.779 1.904 ( -0.514 0.000 4.306) 4.337 2.062 ( -6.051 0.000 3.005) 6.756 2.162 ( -4.815 0.000 -2.648) 5.495 2.603 ( 3.531 -0.000 -14.358) 14.785 2.895 ( -4.564 0.000 2.026) 4.993 3.034 ( -3.924 0.000 -2.370) 4.584 3.079 ( -1.670 0.000 -0.840) 1.869 3.181 ( 0.906 -0.000 -4.129) 4.228 3.431 ( -7.790 0.000 0.961) 7.849 3.497 ( -6.090 0.000 -3.062) 6.816 3.541 ( 2.662 -0.000 1.899) 3.270 3.671 ( 3.377 -0.000 -1.700) 3.781 3.745 ( -0.481 0.000 3.356) 3.390 3.837 ( 5.733 -0.000 -0.409) 5.747 3.930 ( 0.663 -0.000 0.915) 1.130 3.951 ( 0.458 -0.000 -0.804) 0.925 4.272 ( -3.131 0.000 6.564) 7.273 4.313 ( -6.091 0.000 5.992) 8.545 4.913 ( 4.258 -0.000 5.588) 7.026 5.254 ( 6.563 -0.000 -7.966) 10.321 5.556 ( 2.354 -0.000 3.215) 3.985 5.593 ( 3.907 -0.000 0.411) 3.929 ======================= Grid point 220 (84/129) ======================= q-point: (-0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -5.386 0.535 2.663) 6.032 0.683 ( 4.289 4.507 -3.346) 7.065 0.805 ( -4.896 1.168 8.776) 10.117 0.859 ( -7.688 -1.665 13.075) 15.258 1.011 ( 2.795 -0.528 2.223) 3.610 1.157 ( -3.730 -1.637 -2.847) 4.970 1.264 ( -3.293 1.982 3.844) 5.436 1.302 ( -7.668 -2.647 2.577) 8.511 1.400 ( -5.770 3.356 0.579) 6.700 1.483 ( -10.694 -3.728 1.249) 11.394 1.604 ( -1.114 -0.017 1.243) 1.669 1.618 ( 0.917 -0.987 -2.528) 2.864 1.742 ( 0.875 0.144 -3.757) 3.861 1.779 ( -5.174 0.359 -3.247) 6.119 1.867 ( -2.135 0.025 7.215) 7.524 2.061 ( 3.971 0.645 6.911) 7.997 2.096 ( -1.777 0.448 -2.374) 2.999 2.674 ( 3.444 0.367 -14.534) 14.941 2.804 ( -4.243 0.056 1.391) 4.466 2.906 ( -7.541 0.233 -3.284) 8.228 3.058 ( -1.192 0.151 0.809) 1.449 3.160 ( -6.135 -0.133 -5.391) 8.169 3.298 ( -5.130 -0.067 1.455) 5.333 3.338 ( -5.627 -0.550 -0.932) 5.731 3.588 ( 2.004 0.005 2.281) 3.036 3.718 ( 1.703 0.248 -2.717) 3.217 3.788 ( 3.642 -0.269 7.248) 8.116 3.868 ( -1.095 0.015 -0.193) 1.112 3.948 ( -1.689 -0.164 -0.522) 1.775 3.978 ( 2.472 0.039 1.793) 3.054 4.178 ( -6.398 -0.464 9.192) 11.209 4.247 ( 0.111 -1.349 5.232) 5.404 4.984 ( 2.831 0.127 6.186) 6.804 5.330 ( 1.782 -0.037 -8.026) 8.221 5.630 ( 4.391 -0.006 3.122) 5.388 5.660 ( 2.765 0.132 0.687) 2.852 ======================= Grid point 221 (85/129) ======================= q-point: (-0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -0.000 1.694 6.113) 6.344 0.678 ( -0.000 4.393 6.943) 8.216 0.727 ( -0.000 6.477 -1.190) 6.586 0.826 ( 0.000 -1.499 15.281) 15.355 1.002 ( -0.000 1.468 -5.489) 5.682 1.135 ( -0.000 0.370 1.105) 1.165 1.243 ( 0.000 -0.684 1.675) 1.809 1.247 ( 0.000 -0.372 7.665) 7.674 1.325 ( 0.000 -2.884 -1.261) 3.148 1.390 ( 0.000 -4.723 2.564) 5.374 1.592 ( 0.000 -0.677 1.785) 1.909 1.643 ( 0.000 -1.095 -4.974) 5.093 1.714 ( -0.000 0.348 -2.456) 2.481 1.749 ( -0.000 0.317 -5.165) 5.175 1.848 ( -0.000 0.047 7.074) 7.075 2.078 ( -0.000 1.089 -2.399) 2.634 2.119 ( -0.000 0.242 6.311) 6.316 2.710 ( -0.000 0.518 -15.425) 15.434 2.758 ( -0.000 0.080 0.960) 0.963 2.816 ( -0.000 0.110 -1.182) 1.187 3.038 ( -0.000 0.127 0.344) 0.367 3.040 ( -0.000 0.085 0.306) 0.318 3.249 ( -0.000 0.126 1.735) 1.740 3.312 ( 0.000 -0.278 -2.397) 2.413 3.609 ( -0.000 0.048 2.187) 2.187 3.733 ( -0.000 0.559 -2.669) 2.727 3.850 ( -0.000 0.045 0.598) 0.600 3.870 ( 0.000 -1.503 10.775) 10.880 3.882 ( -0.000 0.037 -0.531) 0.533 3.998 ( -0.000 0.107 3.063) 3.065 4.119 ( 0.000 -0.648 8.683) 8.707 4.264 ( 0.000 -1.992 3.167) 3.741 5.011 ( -0.000 0.318 6.162) 6.170 5.345 ( 0.000 -0.238 -7.379) 7.383 5.677 ( -0.000 0.530 1.781) 1.858 5.690 ( 0.000 -0.246 1.218) 1.242 ======================= Grid point 233 (86/129) ======================= q-point: ( 0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -0.000 0.000 5.955) 5.955 0.701 ( -0.000 0.000 6.679) 6.679 0.773 ( -0.000 0.000 -6.721) 6.721 0.805 ( -0.000 0.000 21.152) 21.152 1.010 ( -0.000 0.000 -5.018) 5.018 1.137 ( -0.000 0.000 0.562) 0.562 1.239 ( -0.000 0.000 1.084) 1.084 1.249 ( -0.000 0.000 8.638) 8.638 1.309 ( 0.000 -0.000 -1.061) 1.061 1.363 ( -0.000 0.000 2.508) 2.508 1.589 ( -0.000 0.000 1.882) 1.882 1.637 ( -0.000 0.000 -5.207) 5.207 1.716 ( -0.000 0.000 -2.540) 2.540 1.751 ( -0.000 0.000 -5.031) 5.031 1.849 ( -0.000 0.000 7.311) 7.311 2.083 ( -0.000 0.000 -2.391) 2.391 2.120 ( -0.000 0.000 6.962) 6.962 2.713 ( -0.000 0.000 -15.178) 15.178 2.759 ( -0.000 0.000 0.955) 0.955 2.817 ( -0.000 0.000 -1.192) 1.192 3.039 ( -0.000 0.000 0.336) 0.336 3.041 ( -0.000 0.000 0.305) 0.305 3.250 ( -0.000 0.000 1.739) 1.739 3.311 ( -0.000 0.000 -2.391) 2.391 3.609 ( -0.000 0.000 2.256) 2.256 3.736 ( -0.000 0.000 -2.747) 2.747 3.851 ( -0.000 0.000 0.601) 0.601 3.862 ( -0.000 0.000 11.067) 11.067 3.882 ( -0.000 0.000 -0.527) 0.527 3.999 ( -0.000 0.000 3.210) 3.210 4.116 ( -0.000 0.000 8.340) 8.340 4.254 ( -0.000 0.000 3.147) 3.147 5.012 ( -0.000 0.000 6.182) 6.182 5.344 ( -0.000 0.000 -7.211) 7.211 5.680 ( -0.000 0.000 2.003) 2.003 5.688 ( -0.000 0.000 0.898) 0.898 ======================= Grid point 302 (87/129) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 0.000 0.000 -9.869) 9.869 0.382 ( 0.000 0.000 9.869) 9.869 0.666 ( 0.000 0.000 -13.304) 13.304 0.666 ( 0.000 0.000 13.304) 13.304 1.098 ( 0.000 0.000 -10.866) 10.866 1.098 ( 0.000 0.000 10.866) 10.866 1.399 ( 0.000 0.000 -4.420) 4.420 1.399 ( 0.000 0.000 4.420) 4.420 1.548 ( 0.000 0.000 -10.566) 10.566 1.548 ( 0.000 0.000 10.566) 10.566 1.660 ( 0.000 0.000 -0.854) 0.854 1.660 ( 0.000 0.000 0.854) 0.854 1.730 ( 0.000 0.000 -1.746) 1.746 1.730 ( 0.000 0.000 1.746) 1.746 1.832 ( 0.000 0.000 -3.287) 3.287 1.832 ( 0.000 0.000 3.287) 3.287 2.263 ( 0.000 0.000 -15.350) 15.350 2.263 ( 0.000 0.000 15.350) 15.350 2.780 ( 0.000 0.000 -1.403) 1.403 2.780 ( 0.000 0.000 1.403) 1.403 3.037 ( 0.000 0.000 -0.133) 0.133 3.037 ( 0.000 0.000 0.133) 0.133 3.282 ( 0.000 0.000 -2.696) 2.696 3.282 ( 0.000 0.000 2.696) 2.696 3.645 ( 0.000 0.000 -2.220) 2.220 3.645 ( 0.000 0.000 2.220) 2.220 3.863 ( 0.000 0.000 -0.812) 0.812 3.863 ( 0.000 0.000 0.812) 0.812 3.990 ( 0.000 0.000 -1.106) 1.106 3.990 ( 0.000 0.000 1.106) 1.106 4.418 ( 0.000 0.000 -7.361) 7.361 4.418 ( 0.000 0.000 7.361) 7.361 5.149 ( 0.000 0.000 -8.656) 8.656 5.149 ( 0.000 0.000 8.656) 8.656 5.717 ( 0.000 0.000 -2.914) 2.914 5.717 ( 0.000 0.000 2.914) 2.914 ======================= Grid point 304 (88/129) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 10.386 -0.863 -6.534) 12.301 0.494 ( 10.386 -0.863 6.534) 12.301 0.737 ( 6.065 -1.404 -9.660) 11.492 0.737 ( 6.065 -1.404 9.660) 11.492 1.187 ( 8.167 -0.138 -7.793) 11.289 1.187 ( 8.167 -0.138 7.793) 11.289 1.403 ( 1.103 1.279 -2.242) 2.808 1.403 ( 1.103 1.279 2.242) 2.808 1.545 ( -0.176 0.002 -8.779) 8.781 1.545 ( -0.176 0.002 8.779) 8.781 1.685 ( 1.334 -0.002 -1.214) 1.804 1.685 ( 1.334 -0.002 1.214) 1.804 1.757 ( 3.450 3.682 -2.796) 5.768 1.757 ( 3.450 3.682 2.796) 5.768 1.859 ( 3.244 -3.713 -2.013) 5.326 1.859 ( 3.244 -3.713 2.013) 5.326 2.216 ( -3.683 -0.659 -16.319) 16.743 2.216 ( -3.683 -0.659 16.319) 16.743 2.828 ( 4.538 -0.120 -1.683) 4.841 2.828 ( 4.538 -0.120 1.683) 4.841 3.058 ( 1.248 -0.189 -2.114) 2.462 3.058 ( 1.248 -0.189 2.114) 2.462 3.352 ( 6.528 0.240 -2.748) 7.087 3.352 ( 6.528 0.240 2.748) 7.087 3.633 ( -1.247 -0.121 -2.457) 2.758 3.633 ( -1.247 -0.121 2.457) 2.758 3.855 ( -0.812 -0.065 -0.348) 0.886 3.855 ( -0.812 -0.065 0.348) 0.886 3.963 ( -2.559 -0.130 -0.941) 2.729 3.963 ( -2.559 -0.130 0.941) 2.729 4.437 ( 1.853 1.029 -7.782) 8.065 4.437 ( 1.853 1.029 7.782) 8.065 5.126 ( -2.512 -0.198 -8.553) 8.917 5.126 ( -2.512 -0.198 8.553) 8.917 5.682 ( -3.076 0.224 -1.627) 3.487 5.682 ( -3.076 0.224 1.627) 3.487 ======================= Grid point 306 (89/129) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 13.531 1.028 -3.299) 13.966 0.735 ( 13.531 1.028 3.299) 13.966 0.879 ( 7.488 -1.734 -3.080) 8.280 0.879 ( 7.488 -1.734 3.080) 8.280 1.302 ( 1.655 -1.471 -1.598) 2.731 1.302 ( 1.655 -1.471 1.598) 2.731 1.485 ( 6.969 6.318 -2.715) 9.791 1.485 ( 6.969 6.318 2.715) 9.791 1.560 ( 4.025 -0.672 -8.141) 9.107 1.560 ( 4.025 -0.672 8.141) 9.107 1.690 ( -0.168 -3.307 -1.558) 3.660 1.690 ( -0.168 -3.307 1.558) 3.660 1.805 ( 2.882 1.519 -4.862) 5.853 1.805 ( 2.882 1.519 4.862) 5.853 2.012 ( 9.730 -1.453 -0.712) 9.864 2.012 ( 9.730 -1.453 0.712) 9.864 2.163 ( -2.069 -1.040 -15.661) 15.832 2.163 ( -2.069 -1.040 15.661) 15.832 2.933 ( 5.606 -0.313 -2.417) 6.113 2.933 ( 5.606 -0.313 2.417) 6.113 3.075 ( 0.587 -0.444 -2.883) 2.975 3.075 ( 0.587 -0.444 2.883) 2.975 3.478 ( 5.256 0.331 -1.875) 5.590 3.478 ( 5.256 0.331 1.875) 5.590 3.604 ( -1.437 0.045 -3.057) 3.379 3.604 ( -1.437 0.045 3.057) 3.379 3.815 ( -3.676 0.016 -0.982) 3.805 3.815 ( -3.676 0.016 0.982) 3.805 3.931 ( 0.134 -0.196 -0.231) 0.331 3.931 ( 0.134 -0.196 0.231) 0.331 4.465 ( 1.539 1.345 -6.481) 6.796 4.465 ( 1.539 1.345 6.481) 6.796 5.053 ( -5.255 -0.305 -7.745) 9.364 5.053 ( -5.255 -0.305 7.745) 9.364 5.617 ( -3.145 0.396 -0.315) 3.185 5.617 ( -3.145 0.396 0.315) 3.185 ======================= Grid point 308 (90/129) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 8.050 -0.004 -1.369) 8.165 0.957 ( 8.050 -0.004 1.369) 8.165 1.032 ( 9.319 3.171 -4.678) 10.899 1.032 ( 9.319 3.171 4.678) 10.899 1.344 ( 2.802 -3.811 -1.230) 4.888 1.344 ( 2.802 -3.811 1.230) 4.888 1.492 ( -0.079 5.742 -1.659) 5.977 1.492 ( -0.079 5.742 1.659) 5.977 1.603 ( -1.144 -0.376 -1.689) 2.074 1.603 ( -1.144 -0.376 1.689) 2.074 1.813 ( 3.028 -1.796 -4.702) 5.874 1.813 ( 3.028 -1.796 4.702) 5.874 1.890 ( 11.603 -0.955 -3.210) 12.076 1.890 ( 11.603 -0.955 3.210) 12.076 2.124 ( -0.591 -0.410 -17.696) 17.710 2.124 ( -0.591 -0.410 17.696) 17.710 2.208 ( 7.111 -0.824 -2.819) 7.693 2.208 ( 7.111 -0.824 2.819) 7.693 3.017 ( 2.313 -0.032 -3.187) 3.938 3.017 ( 2.313 -0.032 3.187) 3.938 3.101 ( 2.400 -0.411 -2.671) 3.614 3.101 ( 2.400 -0.411 2.671) 3.614 3.504 ( -1.655 0.107 -0.427) 1.712 3.504 ( -1.655 0.107 0.427) 1.712 3.588 ( -1.081 0.260 -0.954) 1.465 3.588 ( -1.081 0.260 0.954) 1.465 3.765 ( -0.054 0.191 -2.948) 2.954 3.765 ( -0.054 0.191 2.948) 2.954 3.955 ( 1.579 -0.004 -0.378) 1.623 3.955 ( 1.579 -0.004 0.378) 1.623 4.482 ( 0.999 1.147 -3.414) 3.737 4.482 ( 0.999 1.147 3.414) 3.737 4.933 ( -7.051 -0.283 -5.662) 9.047 4.933 ( -7.051 -0.283 5.662) 9.047 5.566 ( -1.898 0.591 -1.887) 2.741 5.566 ( -1.898 0.591 1.887) 2.741 ======================= Grid point 310 (91/129) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.362 0.138 -1.670) 1.714 1.024 ( 0.362 0.138 1.670) 1.714 1.199 ( 8.607 4.187 -4.451) 10.556 1.199 ( 8.607 4.187 4.451) 10.556 1.404 ( -0.484 -0.199 -0.733) 0.901 1.404 ( -0.484 -0.199 0.733) 0.901 1.511 ( 6.454 0.498 -0.878) 6.532 1.511 ( 6.454 0.498 0.878) 6.532 1.588 ( -0.536 -0.780 -1.655) 1.906 1.588 ( -0.536 -0.780 1.655) 1.906 1.812 ( -1.799 -0.596 -3.793) 4.240 1.812 ( -1.799 -0.596 3.793) 4.240 2.094 ( 0.260 0.198 -16.774) 16.777 2.094 ( 0.260 0.198 16.774) 16.777 2.153 ( 9.825 -0.322 -3.978) 10.605 2.153 ( 9.825 -0.322 3.978) 10.605 2.306 ( 2.391 -1.721 -1.423) 3.272 2.306 ( 2.391 -1.721 1.423) 3.272 3.011 ( -2.475 0.450 -3.113) 4.002 3.011 ( -2.475 0.450 3.113) 4.002 3.178 ( 5.377 0.065 -2.847) 6.085 3.178 ( 5.377 0.065 2.847) 6.085 3.477 ( -0.360 0.080 -0.304) 0.478 3.477 ( -0.360 0.080 0.304) 0.478 3.553 ( -1.799 0.335 -0.392) 1.871 3.553 ( -1.799 0.335 0.392) 1.871 3.791 ( 1.781 0.103 -3.706) 4.113 3.791 ( 1.781 0.103 3.706) 4.113 3.973 ( 0.165 0.140 -0.417) 0.470 3.973 ( 0.165 0.140 0.417) 0.470 4.495 ( 0.933 0.822 -0.274) 1.273 4.495 ( 0.933 0.822 0.274) 1.273 4.799 ( -6.758 -0.206 -2.533) 7.220 4.799 ( -6.758 -0.206 2.533) 7.220 5.537 ( -0.949 0.646 -3.070) 3.277 5.537 ( -0.949 0.646 3.070) 3.277 ======================= Grid point 312 (92/129) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -1.826 -0.353 -1.251) 2.241 1.004 ( -1.826 -0.353 1.251) 2.241 1.273 ( 0.999 2.507 -4.679) 5.402 1.273 ( 0.999 2.507 4.679) 5.402 1.428 ( 4.580 2.123 -0.276) 5.056 1.428 ( 4.580 2.123 0.276) 5.056 1.574 ( -0.844 -0.966 -3.293) 3.535 1.574 ( -0.844 -0.966 3.293) 3.535 1.635 ( 2.529 -0.788 -0.705) 2.741 1.635 ( 2.529 -0.788 0.705) 2.741 1.796 ( 1.616 -0.646 -1.398) 2.232 1.796 ( 1.616 -0.646 1.398) 2.232 2.069 ( -1.714 0.647 -21.079) 21.158 2.069 ( -1.714 0.647 21.079) 21.158 2.265 ( 0.732 0.257 -0.732) 1.067 2.265 ( 0.732 0.257 0.732) 1.067 2.366 ( 3.530 -1.666 -1.562) 4.204 2.366 ( 3.530 -1.666 1.562) 4.204 2.953 ( -2.475 0.277 -2.957) 3.866 2.953 ( -2.475 0.277 2.957) 3.866 3.288 ( 5.570 0.556 -3.259) 6.477 3.288 ( 5.570 0.556 3.259) 6.477 3.484 ( 0.558 0.110 -1.191) 1.320 3.484 ( 0.558 0.110 1.191) 1.320 3.524 ( -1.226 -0.008 -0.704) 1.414 3.524 ( -1.226 -0.008 0.704) 1.414 3.819 ( 1.164 0.054 -3.398) 3.592 3.819 ( 1.164 0.054 3.398) 3.592 3.961 ( -1.106 0.106 -0.068) 1.113 3.961 ( -1.106 0.106 0.068) 1.113 4.511 ( 1.038 0.493 -4.237) 4.390 4.511 ( 1.038 0.493 4.237) 4.390 4.688 ( -4.591 -0.153 -1.878) 4.962 4.688 ( -4.591 -0.153 1.878) 4.962 5.521 ( -0.412 0.433 -3.751) 3.798 5.521 ( -0.412 0.433 3.751) 3.798 ======================= Grid point 314 (93/129) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.000 -0.000 -1.791) 1.791 0.982 ( 0.000 -0.000 1.791) 1.791 1.270 ( 0.000 -0.000 -5.189) 5.189 1.270 ( 0.000 -0.000 5.189) 5.189 1.489 ( 0.000 -0.000 -0.082) 0.082 1.489 ( 0.000 -0.000 0.082) 0.082 1.559 ( 0.000 -0.000 -0.296) 0.296 1.559 ( 0.000 -0.000 0.296) 0.296 1.637 ( 0.000 -0.000 -2.388) 2.388 1.637 ( 0.000 -0.000 2.388) 2.388 1.844 ( 0.000 -0.000 -1.980) 1.980 1.844 ( 0.000 -0.000 1.980) 1.980 2.041 ( 0.000 -0.000 -21.514) 21.514 2.041 ( 0.000 -0.000 21.514) 21.514 2.261 ( 0.000 -0.000 -0.599) 0.599 2.261 ( 0.000 -0.000 0.599) 0.599 2.407 ( 0.000 -0.000 -1.646) 1.646 2.407 ( 0.000 -0.000 1.646) 1.646 2.928 ( 0.000 -0.000 -3.146) 3.146 2.928 ( 0.000 -0.000 3.146) 3.146 3.350 ( 0.000 -0.000 -3.694) 3.694 3.350 ( 0.000 -0.000 3.694) 3.694 3.486 ( 0.000 -0.000 -1.230) 1.230 3.486 ( 0.000 -0.000 1.230) 1.230 3.511 ( 0.000 -0.000 -0.534) 0.534 3.511 ( 0.000 -0.000 0.534) 0.534 3.832 ( 0.000 -0.000 -3.553) 3.553 3.832 ( 0.000 -0.000 3.553) 3.553 3.946 ( 0.000 -0.000 -0.403) 0.403 3.946 ( 0.000 -0.000 0.403) 0.403 4.523 ( 0.000 -0.000 -7.953) 7.953 4.523 ( 0.000 -0.000 7.953) 7.953 4.640 ( 0.000 -0.000 -5.664) 5.664 4.640 ( 0.000 -0.000 5.664) 5.664 5.516 ( 0.000 -0.000 -3.966) 3.966 5.516 ( 0.000 -0.000 3.966) 3.966 ======================= Grid point 330 (94/129) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 13.879 -0.000 -2.456) 14.094 0.740 ( 13.879 -0.000 2.456) 14.094 0.870 ( 8.052 -0.000 -3.201) 8.665 0.870 ( 8.052 -0.000 3.201) 8.665 1.295 ( 1.465 -0.000 -1.150) 1.863 1.295 ( 1.465 -0.000 1.150) 1.863 1.526 ( 8.550 -0.000 -2.819) 9.002 1.526 ( 8.550 -0.000 2.819) 9.002 1.551 ( 4.239 -0.000 -9.050) 9.994 1.551 ( 4.239 -0.000 9.050) 9.994 1.670 ( -2.400 0.000 -1.527) 2.844 1.670 ( -2.400 0.000 1.527) 2.844 1.813 ( 2.273 -0.000 -5.020) 5.510 1.813 ( 2.273 -0.000 5.020) 5.510 2.004 ( 10.431 -0.000 -0.122) 10.432 2.004 ( 10.431 -0.000 0.122) 10.432 2.158 ( -1.917 0.000 -15.632) 15.749 2.158 ( -1.917 0.000 15.632) 15.749 2.932 ( 5.636 -0.000 -2.359) 6.110 2.932 ( 5.636 -0.000 2.359) 6.110 3.072 ( 0.606 -0.000 -2.903) 2.966 3.072 ( 0.606 -0.000 2.903) 2.966 3.480 ( 5.143 -0.000 -1.899) 5.482 3.480 ( 5.143 -0.000 1.899) 5.482 3.604 ( -1.350 0.000 -3.026) 3.313 3.604 ( -1.350 0.000 3.026) 3.313 3.815 ( -3.621 0.000 -0.851) 3.719 3.815 ( -3.621 0.000 0.851) 3.719 3.930 ( 0.169 -0.000 -0.220) 0.277 3.930 ( 0.169 -0.000 0.220) 0.277 4.472 ( 1.372 -0.000 -6.849) 6.985 4.472 ( 1.372 -0.000 6.849) 6.985 5.051 ( -5.229 0.000 -7.678) 9.290 5.051 ( -5.229 0.000 7.678) 9.290 5.619 ( -3.138 0.000 -0.286) 3.151 5.619 ( -3.138 0.000 0.286) 3.151 ======================= Grid point 332 (95/129) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 7.124 -0.136 -1.944) 7.386 0.955 ( 7.124 -0.136 1.944) 7.386 1.058 ( 11.772 1.620 -4.331) 12.647 1.058 ( 11.772 1.620 4.331) 12.647 1.314 ( 1.608 -1.771 -0.820) 2.529 1.314 ( 1.608 -1.771 0.820) 2.529 1.538 ( -0.111 2.863 -1.664) 3.313 1.538 ( -0.111 2.863 1.664) 3.313 1.599 ( -2.646 -0.362 -0.652) 2.749 1.599 ( -2.646 -0.362 0.652) 2.749 1.794 ( 5.865 -1.369 -6.187) 8.634 1.794 ( 5.865 -1.369 6.187) 8.634 1.886 ( 10.014 -0.136 -3.744) 10.692 1.886 ( 10.014 -0.136 3.744) 10.692 2.121 ( -0.321 -0.174 -17.700) 17.704 2.121 ( -0.321 -0.174 17.700) 17.704 2.203 ( 7.167 -0.267 -2.533) 7.606 2.203 ( 7.167 -0.267 2.533) 7.606 3.017 ( 2.508 -0.013 -3.142) 4.020 3.017 ( 2.508 -0.013 3.142) 4.020 3.098 ( 2.530 -0.152 -2.676) 3.686 3.098 ( 2.530 -0.152 2.676) 3.686 3.505 ( -1.662 0.042 -0.389) 1.707 3.505 ( -1.662 0.042 0.389) 1.707 3.590 ( -1.092 0.092 -0.899) 1.418 3.590 ( -1.092 0.092 0.899) 1.418 3.767 ( -0.066 0.069 -3.074) 3.075 3.767 ( -0.066 0.069 3.074) 3.075 3.955 ( 1.668 -0.002 -0.399) 1.715 3.955 ( 1.668 -0.002 0.399) 1.715 4.490 ( 0.776 0.419 -3.695) 3.799 4.490 ( 0.776 0.419 3.695) 3.799 4.931 ( -6.998 -0.105 -5.460) 8.877 4.931 ( -6.998 -0.105 5.460) 8.877 5.570 ( -1.897 0.221 -1.986) 2.755 5.570 ( -1.897 0.221 1.986) 2.755 ======================= Grid point 334 (96/129) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.597 0.175 -1.127) 1.287 1.025 ( 0.597 0.175 1.127) 1.287 1.238 ( 7.445 3.489 -3.970) 9.131 1.238 ( 7.445 3.489 3.970) 9.131 1.385 ( 2.805 -2.748 -1.162) 4.095 1.385 ( 2.805 -2.748 1.162) 4.095 1.529 ( 2.881 2.269 -1.531) 3.974 1.529 ( 2.881 2.269 1.531) 3.974 1.581 ( 0.224 -0.540 -1.772) 1.866 1.581 ( 0.224 -0.540 1.772) 1.866 1.804 ( -1.887 -0.741 -3.441) 3.994 1.804 ( -1.887 -0.741 3.441) 3.994 2.096 ( 0.910 0.129 -15.848) 15.875 2.096 ( 0.910 0.129 15.848) 15.875 2.151 ( 10.305 -0.221 -5.559) 11.712 2.151 ( 10.305 -0.221 5.559) 11.712 2.292 ( 1.773 -0.998 -1.623) 2.603 2.292 ( 1.773 -0.998 1.623) 2.603 3.014 ( -2.411 0.251 -3.066) 3.909 3.014 ( -2.411 0.251 3.066) 3.909 3.178 ( 5.635 0.045 -2.794) 6.290 3.178 ( 5.635 0.045 2.794) 6.290 3.478 ( -0.383 0.044 -0.225) 0.447 3.478 ( -0.383 0.044 0.225) 0.447 3.556 ( -1.838 0.188 -0.323) 1.876 3.556 ( -1.838 0.188 0.323) 1.876 3.792 ( 1.737 0.061 -3.759) 4.142 3.792 ( 1.737 0.061 3.759) 4.142 3.974 ( 0.172 0.083 -0.427) 0.467 3.974 ( 0.172 0.083 0.427) 0.467 4.502 ( 0.745 0.470 -0.164) 0.895 4.502 ( 0.745 0.470 0.164) 0.895 4.797 ( -6.715 -0.118 -2.177) 7.060 4.797 ( -6.715 -0.118 2.177) 7.060 5.542 ( -1.019 0.376 -3.215) 3.394 5.542 ( -1.019 0.376 3.215) 3.394 ======================= Grid point 336 (97/129) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -2.117 -0.131 -1.521) 2.610 1.002 ( -2.117 -0.131 1.521) 2.610 1.297 ( 0.570 2.150 -4.066) 4.635 1.297 ( 0.570 2.150 4.066) 4.635 1.443 ( 4.094 0.936 -0.896) 4.294 1.443 ( 4.094 0.936 0.896) 4.294 1.564 ( -0.513 -0.920 -3.492) 3.647 1.564 ( -0.513 -0.920 3.492) 3.647 1.633 ( 2.300 0.203 -0.813) 2.448 1.633 ( 2.300 0.203 0.813) 2.448 1.788 ( 1.863 -0.767 -1.062) 2.278 1.788 ( 1.863 -0.767 1.062) 2.278 2.075 ( -1.748 0.517 -20.782) 20.862 2.075 ( -1.748 0.517 20.782) 20.862 2.266 ( -0.213 -0.150 -0.873) 0.911 2.266 ( -0.213 -0.150 0.873) 0.911 2.352 ( 5.020 -0.995 -1.269) 5.273 2.352 ( 5.020 -0.995 1.269) 5.273 2.955 ( -2.665 0.212 -2.842) 3.902 2.955 ( -2.665 0.212 2.842) 3.902 3.293 ( 5.615 0.396 -3.274) 6.512 3.293 ( 5.615 0.396 3.274) 6.512 3.485 ( 0.594 0.074 -1.315) 1.445 3.485 ( 0.594 0.074 1.315) 1.445 3.524 ( -1.476 -0.005 -0.609) 1.596 3.524 ( -1.476 -0.005 0.609) 1.596 3.819 ( 1.151 0.041 -3.409) 3.598 3.819 ( 1.151 0.041 3.409) 3.598 3.962 ( -1.148 0.079 -0.049) 1.151 3.962 ( -1.148 0.079 0.049) 1.151 4.515 ( 0.849 0.351 -4.416) 4.511 4.515 ( 0.849 0.351 4.416) 4.511 4.687 ( -4.553 -0.104 -2.228) 5.070 4.687 ( -4.553 -0.104 2.228) 5.070 5.525 ( -0.587 0.318 -3.853) 3.910 5.525 ( -0.587 0.318 3.853) 3.910 ======================= Grid point 338 (98/129) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.258 -0.412 -1.673) 1.743 0.980 ( 0.258 -0.412 1.673) 1.743 1.278 ( -1.059 1.496 -5.113) 5.431 1.278 ( -1.059 1.496 5.113) 5.431 1.482 ( -2.347 -1.307 -0.459) 2.725 1.482 ( -2.347 -1.307 0.459) 2.725 1.559 ( 1.112 0.119 -0.233) 1.143 1.559 ( 1.112 0.119 0.233) 1.143 1.636 ( 0.598 -0.060 -2.409) 2.483 1.636 ( 0.598 -0.060 2.409) 2.483 1.846 ( 0.598 0.297 -1.769) 1.891 1.846 ( 0.598 0.297 1.769) 1.891 2.041 ( -0.554 0.014 -21.665) 21.672 2.041 ( -0.554 0.014 21.665) 21.672 2.258 ( 0.062 -0.519 -0.559) 0.766 2.258 ( 0.062 -0.519 0.559) 0.766 2.409 ( 0.666 0.423 -1.653) 1.831 2.409 ( 0.666 0.423 1.653) 1.831 2.928 ( -0.080 -0.008 -3.152) 3.153 2.928 ( -0.080 -0.008 3.152) 3.153 3.350 ( -0.597 -0.070 -3.687) 3.735 3.350 ( -0.597 -0.070 3.687) 3.735 3.486 ( -0.072 0.086 -1.274) 1.279 3.486 ( -0.072 0.086 1.274) 1.279 3.510 ( 0.246 -0.038 -0.771) 0.811 3.510 ( 0.246 -0.038 0.771) 0.811 3.832 ( -0.040 0.003 -3.553) 3.553 3.832 ( -0.040 0.003 3.553) 3.553 3.946 ( -0.059 -0.003 -0.402) 0.406 3.946 ( -0.059 -0.003 0.402) 0.406 4.523 ( -0.308 -0.023 -7.937) 7.943 4.523 ( -0.308 -0.023 7.937) 7.943 4.640 ( 0.132 0.026 -5.646) 5.648 4.640 ( 0.132 0.026 5.646) 5.648 5.516 ( -0.236 -0.000 -3.965) 3.973 5.516 ( -0.236 -0.000 3.965) 3.973 ======================= Grid point 340 (99/129) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 1.917 0.488 -0.855) 2.155 1.008 ( 1.917 0.488 0.855) 2.155 1.251 ( -2.179 -1.780 -5.384) 6.074 1.251 ( -2.179 -1.780 5.384) 6.074 1.401 ( -5.198 -3.118 -1.031) 6.149 1.401 ( -5.198 -3.118 1.031) 6.149 1.581 ( 0.627 0.361 -2.792) 2.884 1.581 ( 0.627 0.361 2.792) 2.884 1.650 ( -1.173 2.209 -1.102) 2.733 1.650 ( -1.173 2.209 1.102) 2.733 1.800 ( -2.038 0.116 -1.604) 2.597 1.800 ( -2.038 0.116 1.604) 2.597 2.062 ( 1.682 -0.596 -21.488) 21.562 2.062 ( 1.682 -0.596 21.488) 21.562 2.261 ( -1.307 -0.610 -0.471) 1.517 2.261 ( -1.307 -0.610 0.471) 1.517 2.384 ( -2.340 1.859 -1.782) 3.480 2.384 ( -2.340 1.859 1.782) 3.480 2.950 ( 2.255 -0.264 -3.086) 3.831 2.950 ( 2.255 -0.264 3.086) 3.831 3.282 ( -5.491 -0.575 -3.231) 6.398 3.282 ( -5.491 -0.575 3.231) 6.398 3.482 ( -0.551 -0.119 -1.026) 1.170 3.482 ( -0.551 -0.119 1.026) 1.170 3.524 ( 0.952 0.009 -0.827) 1.261 3.524 ( 0.952 0.009 0.827) 1.261 3.818 ( -1.180 -0.053 -3.383) 3.583 3.818 ( -1.180 -0.053 3.383) 3.583 3.960 ( 1.061 -0.102 -0.075) 1.069 3.960 ( 1.061 -0.102 0.075) 1.069 4.506 ( -1.253 -0.507 -4.044) 4.264 4.506 ( -1.253 -0.507 4.044) 4.264 4.690 ( 4.626 0.166 -1.464) 4.855 4.690 ( 4.626 0.166 1.464) 4.855 5.517 ( 0.212 -0.432 -3.624) 3.656 5.517 ( 0.212 -0.432 3.624) 3.656 ======================= Grid point 342 (100/129) ======================= q-point: (-0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.366 0.200 -1.936) 1.981 1.024 ( -0.366 0.200 1.936) 1.981 1.158 ( -9.263 -4.015 -4.847) 11.199 1.158 ( -9.263 -4.015 4.847) 11.199 1.385 ( 1.419 -3.448 -1.106) 3.890 1.385 ( 1.419 -3.448 1.106) 3.890 1.521 ( -7.295 1.933 -0.676) 7.577 1.521 ( -7.295 1.933 0.676) 7.577 1.600 ( 0.475 1.842 -1.850) 2.653 1.600 ( 0.475 1.842 1.850) 2.653 1.814 ( 1.624 -0.179 -4.142) 4.452 1.814 ( 1.624 -0.179 4.142) 4.452 2.092 ( 0.522 -0.184 -17.884) 17.893 2.092 ( 0.522 -0.184 17.884) 17.893 2.156 ( -9.150 0.270 -2.145) 9.402 2.156 ( -9.150 0.270 2.145) 9.402 2.325 ( -3.105 1.970 -1.124) 3.845 2.325 ( -3.105 1.970 1.124) 3.845 3.006 ( 2.543 -0.544 -3.159) 4.092 3.006 ( 2.543 -0.544 3.159) 4.092 3.177 ( -5.021 -0.052 -2.908) 5.802 3.177 ( -5.021 -0.052 2.908) 5.802 3.476 ( 0.342 -0.097 -0.353) 0.501 3.476 ( 0.342 -0.097 0.353) 0.501 3.549 ( 1.737 -0.404 -0.490) 1.850 3.549 ( 1.737 -0.404 0.490) 1.850 3.790 ( -1.840 -0.115 -3.629) 4.070 3.790 ( -1.840 -0.115 3.629) 4.070 3.972 ( -0.158 -0.157 -0.401) 0.459 3.972 ( -0.158 -0.157 0.401) 0.459 4.486 ( -1.191 -0.962 -0.349) 1.571 4.486 ( -1.191 -0.962 0.349) 1.571 4.801 ( 6.812 0.239 -2.947) 7.426 4.801 ( 6.812 0.239 2.947) 7.426 5.529 ( 0.858 -0.738 -2.845) 3.062 5.529 ( 0.858 -0.738 2.845) 3.062 ======================= Grid point 344 (101/129) ======================= q-point: (-0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -10.734 -1.881 -2.259) 11.129 0.949 ( -10.734 -1.881 2.259) 11.129 1.006 ( -4.861 -1.347 -3.995) 6.435 1.006 ( -4.861 -1.347 3.995) 6.435 1.379 ( -4.571 1.920 -0.472) 4.980 1.379 ( -4.571 1.920 0.472) 4.980 1.437 ( 0.239 -4.109 -2.550) 4.842 1.437 ( 0.239 -4.109 2.550) 4.842 1.607 ( 0.344 0.631 -2.405) 2.510 1.607 ( 0.344 0.631 2.405) 2.510 1.821 ( -1.533 -0.166 -4.169) 4.445 1.821 ( -1.533 -0.166 4.169) 4.445 1.906 ( -12.401 2.191 -1.752) 12.714 1.906 ( -12.401 2.191 1.752) 12.714 2.128 ( 0.938 0.416 -17.451) 17.481 2.128 ( 0.938 0.416 17.451) 17.481 2.219 ( -6.867 1.327 -3.119) 7.658 2.219 ( -6.867 1.327 3.119) 7.658 3.017 ( -1.959 0.037 -3.274) 3.815 3.017 ( -1.959 0.037 3.274) 3.815 3.106 ( -2.188 0.548 -2.659) 3.487 3.106 ( -2.188 0.548 2.659) 3.487 3.503 ( 1.649 -0.128 -0.483) 1.723 3.503 ( 1.649 -0.128 0.483) 1.723 3.585 ( 1.055 -0.380 -1.043) 1.531 3.585 ( 1.055 -0.380 1.043) 1.531 3.763 ( 0.029 -0.266 -2.713) 2.726 3.763 ( 0.029 -0.266 2.713) 2.726 3.955 ( -1.431 0.002 -0.345) 1.472 3.955 ( -1.431 0.002 0.345) 1.472 4.468 ( -1.377 -1.572 -2.917) 3.589 4.468 ( -1.377 -1.572 2.917) 3.589 4.937 ( 7.135 0.376 -5.984) 9.320 4.937 ( 7.135 0.376 5.984) 9.320 5.559 ( 1.913 -0.779 -1.685) 2.666 5.559 ( 1.913 -0.779 1.685) 2.666 ======================= Grid point 346 (102/129) ======================= q-point: (-0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -12.446 -1.118 -4.499) 13.281 0.723 ( -12.446 -1.118 4.499) 13.281 0.902 ( -6.128 2.603 -2.868) 7.249 0.902 ( -6.128 2.603 2.868) 7.249 1.320 ( -1.799 1.510 -2.067) 3.128 1.320 ( -1.799 1.510 2.067) 3.128 1.418 ( -6.389 -6.410 -4.079) 9.927 1.418 ( -6.389 -6.410 4.079) 9.927 1.564 ( -3.406 0.317 -8.245) 8.927 1.564 ( -3.406 0.317 8.245) 8.927 1.724 ( -2.376 3.066 -2.169) 4.444 1.724 ( -2.376 3.066 2.169) 4.444 1.784 ( -4.220 -2.561 -4.375) 6.596 1.784 ( -4.220 -2.561 4.375) 6.596 2.031 ( -8.267 2.198 -1.688) 8.719 2.031 ( -8.267 2.198 1.688) 8.719 2.178 ( 2.451 1.848 -15.748) 16.045 2.178 ( 2.451 1.848 15.748) 16.045 2.938 ( -5.522 0.553 -2.588) 6.124 2.938 ( -5.522 0.553 2.588) 6.124 3.081 ( -0.529 0.762 -2.821) 2.970 3.081 ( -0.529 0.762 2.821) 2.970 3.474 ( -5.570 -0.587 -1.798) 5.883 3.474 ( -5.570 -0.587 1.798) 5.883 3.603 ( 1.680 -0.069 -3.144) 3.565 3.603 ( 1.680 -0.069 3.144) 3.565 3.814 ( 3.831 -0.033 -1.274) 4.037 3.814 ( 3.831 -0.033 1.274) 4.037 3.933 ( -0.052 0.307 -0.257) 0.404 3.933 ( -0.052 0.307 0.257) 0.404 4.446 ( -1.971 -2.292 -5.491) 6.268 4.446 ( -1.971 -2.292 5.491) 6.268 5.057 ( 5.316 0.501 -7.909) 9.543 5.057 ( 5.316 0.501 7.909) 9.543 5.612 ( 3.186 -0.616 -0.376) 3.266 5.612 ( 3.186 -0.616 0.376) 3.266 ======================= Grid point 348 (103/129) ======================= q-point: (-0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -8.485 2.510 -6.086) 10.740 0.511 ( -8.485 2.510 6.086) 10.740 0.763 ( -6.030 3.720 -8.591) 11.136 0.763 ( -6.030 3.720 8.591) 11.136 1.189 ( -8.581 0.243 -6.823) 10.966 1.189 ( -8.581 0.243 6.823) 10.966 1.380 ( 0.048 -3.279 -3.315) 4.663 1.380 ( 0.048 -3.279 3.315) 4.663 1.545 ( 0.135 0.024 -8.997) 8.998 1.545 ( 0.135 0.024 8.997) 8.998 1.682 ( -2.262 -0.968 -2.014) 3.180 1.682 ( -2.262 -0.968 2.014) 3.180 1.713 ( -4.472 -4.122 -2.293) 6.500 1.713 ( -4.472 -4.122 2.293) 6.500 1.906 ( -2.250 4.888 -2.184) 5.807 1.906 ( -2.250 4.888 2.184) 5.807 2.229 ( 3.621 1.885 -16.300) 16.803 2.229 ( 3.621 1.885 16.300) 16.803 2.830 ( -4.650 0.330 -1.780) 4.990 2.830 ( -4.650 0.330 1.780) 4.990 3.061 ( -1.396 0.518 -2.103) 2.577 3.061 ( -1.396 0.518 2.103) 2.577 3.348 ( -6.392 -0.648 -2.478) 6.886 3.348 ( -6.392 -0.648 2.478) 6.886 3.635 ( 1.354 0.332 -2.557) 2.912 3.635 ( 1.354 0.332 2.557) 2.912 3.856 ( 0.796 0.177 -0.441) 0.927 3.856 ( 0.796 0.177 0.441) 0.927 3.965 ( 2.587 0.316 -0.975) 2.783 3.965 ( 2.587 0.316 0.975) 2.783 4.417 ( -2.123 -2.712 -6.664) 7.501 4.417 ( -2.123 -2.712 6.664) 7.501 5.130 ( 2.534 0.508 -8.574) 8.955 5.130 ( 2.534 0.508 8.574) 8.955 5.678 ( 3.044 -0.511 -1.350) 3.369 5.678 ( 3.044 -0.511 1.350) 3.369 ======================= Grid point 350 (104/129) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( -0.000 4.448 -8.740) 9.807 0.405 ( -0.000 4.448 8.740) 9.807 0.678 ( -0.000 2.391 -12.869) 13.090 0.678 ( -0.000 2.391 12.869) 13.090 1.098 ( -0.000 0.070 -10.128) 10.128 1.098 ( -0.000 0.070 10.128) 10.128 1.393 ( 0.000 -1.285 -4.254) 4.444 1.393 ( 0.000 -1.285 4.254) 4.444 1.547 ( 0.000 -0.196 -10.574) 10.576 1.547 ( 0.000 -0.196 10.574) 10.576 1.659 ( 0.000 -0.157 -1.051) 1.063 1.659 ( 0.000 -0.157 1.051) 1.063 1.691 ( 0.000 -5.995 -0.497) 6.015 1.691 ( 0.000 -5.995 0.497) 6.015 1.867 ( -0.000 5.298 -2.664) 5.930 1.867 ( -0.000 5.298 2.664) 5.930 2.268 ( -0.000 1.071 -15.477) 15.514 2.268 ( -0.000 1.071 15.477) 15.514 2.781 ( -0.000 0.075 -1.407) 1.409 2.781 ( -0.000 0.075 1.407) 1.409 3.037 ( -0.000 0.097 -0.128) 0.160 3.037 ( -0.000 0.097 0.128) 0.160 3.282 ( 0.000 -0.136 -2.543) 2.547 3.282 ( 0.000 -0.136 2.543) 2.547 3.647 ( -0.000 0.347 -2.285) 2.311 3.647 ( -0.000 0.347 2.285) 2.311 3.863 ( -0.000 0.051 -0.811) 0.813 3.863 ( -0.000 0.051 0.811) 0.813 3.991 ( -0.000 0.289 -1.143) 1.179 3.991 ( -0.000 0.289 1.143) 1.179 4.406 ( 0.000 -2.250 -6.762) 7.126 4.406 ( 0.000 -2.250 6.762) 7.126 5.151 ( -0.000 0.395 -8.644) 8.653 5.151 ( -0.000 0.395 8.644) 8.653 5.714 ( 0.000 -0.467 -2.645) 2.686 5.714 ( 0.000 -0.467 2.645) 2.686 ======================= Grid point 356 (105/129) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.731 -0.000 -0.757) 1.052 1.026 ( 0.731 -0.000 0.757) 1.052 1.259 ( 6.612 -0.000 -3.717) 7.586 1.259 ( 6.612 -0.000 3.717) 7.586 1.367 ( 4.254 -0.000 -1.028) 4.376 1.367 ( 4.254 -0.000 1.028) 4.376 1.542 ( 1.132 -0.000 -0.647) 1.304 1.542 ( 1.132 -0.000 0.647) 1.304 1.578 ( 1.052 -0.000 -1.376) 1.732 1.578 ( 1.052 -0.000 1.376) 1.732 1.800 ( -1.900 0.000 -3.300) 3.808 1.800 ( -1.900 0.000 3.300) 3.808 2.097 ( 1.171 -0.000 -15.493) 15.537 2.097 ( 1.171 -0.000 15.493) 15.537 2.149 ( 10.471 -0.000 -6.213) 12.176 2.149 ( 10.471 -0.000 6.213) 12.176 2.287 ( 1.524 -0.000 -1.686) 2.272 2.287 ( 1.524 -0.000 1.686) 2.272 3.016 ( -2.386 0.000 -3.047) 3.869 3.016 ( -2.386 0.000 3.047) 3.869 3.178 ( 5.729 -0.000 -2.772) 6.364 3.178 ( 5.729 -0.000 2.772) 6.364 3.478 ( -0.394 0.000 -0.182) 0.434 3.478 ( -0.394 0.000 0.182) 0.434 3.557 ( -1.851 0.000 -0.297) 1.875 3.557 ( -1.851 0.000 0.297) 1.875 3.792 ( 1.721 -0.000 -3.778) 4.152 3.792 ( 1.721 -0.000 3.778) 4.152 3.975 ( 0.174 -0.000 -0.430) 0.464 3.975 ( 0.174 -0.000 0.430) 0.464 4.504 ( 0.675 -0.000 -0.071) 0.679 4.504 ( 0.675 -0.000 0.071) 0.679 4.797 ( -6.699 0.000 -2.031) 7.000 4.797 ( -6.699 0.000 2.031) 7.000 5.544 ( -1.046 0.000 -3.265) 3.428 5.544 ( -1.046 0.000 3.265) 3.428 ======================= Grid point 358 (106/129) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -2.410 -0.017 -1.632) 2.911 1.001 ( -2.410 -0.017 1.632) 2.911 1.313 ( 0.545 0.844 -3.672) 3.807 1.313 ( 0.545 0.844 3.672) 3.807 1.448 ( 4.006 0.203 -1.337) 4.228 1.448 ( 4.006 0.203 1.337) 4.228 1.558 ( -0.398 -0.324 -3.461) 3.498 1.558 ( -0.398 -0.324 3.461) 3.498 1.635 ( 1.624 0.203 -0.750) 1.800 1.635 ( 1.624 0.203 0.750) 1.800 1.782 ( 2.335 -0.349 -0.628) 2.443 1.782 ( 2.335 -0.349 0.628) 2.443 2.078 ( -1.768 0.201 -20.668) 20.744 2.078 ( -1.768 0.201 20.668) 20.744 2.264 ( -0.905 -0.146 -0.773) 1.199 2.264 ( -0.905 -0.146 0.773) 1.199 2.346 ( 6.030 -0.299 -0.956) 6.113 2.346 ( 6.030 -0.299 0.956) 6.113 2.957 ( -2.775 0.080 -2.773) 3.924 2.957 ( -2.775 0.080 2.773) 3.924 3.295 ( 5.631 0.143 -3.279) 6.518 3.295 ( 5.631 0.143 3.279) 6.518 3.485 ( 0.629 0.025 -1.378) 1.515 3.485 ( 0.629 0.025 1.378) 1.515 3.523 ( -1.626 -0.002 -0.562) 1.720 3.523 ( -1.626 -0.002 0.562) 1.720 3.820 ( 1.143 0.015 -3.414) 3.601 3.820 ( 1.143 0.015 3.414) 3.601 3.963 ( -1.173 0.029 -0.023) 1.174 3.963 ( -1.173 0.029 0.023) 1.174 4.518 ( 0.739 0.127 -4.525) 4.587 4.518 ( 0.739 0.127 4.525) 4.587 4.686 ( -4.529 -0.036 -2.430) 5.140 4.686 ( -4.529 -0.036 2.430) 5.140 5.527 ( -0.688 0.116 -3.909) 3.971 5.527 ( -0.688 0.116 3.909) 3.971 ======================= Grid point 360 (107/129) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.368 -0.390 -1.393) 1.493 0.976 ( 0.368 -0.390 1.393) 1.493 1.296 ( -1.558 1.708 -4.868) 5.389 1.296 ( -1.558 1.708 4.868) 5.389 1.467 ( -4.128 -1.559 -0.786) 4.482 1.467 ( -4.128 -1.559 0.786) 4.482 1.561 ( 1.775 0.158 -0.708) 1.917 1.561 ( 1.775 0.158 0.708) 1.917 1.636 ( 1.115 -0.069 -2.475) 2.716 1.636 ( 1.115 -0.069 2.475) 2.716 1.849 ( 0.978 0.284 -1.211) 1.582 1.849 ( 0.978 0.284 1.211) 1.582 2.041 ( -0.973 0.014 -21.982) 22.003 2.041 ( -0.973 0.014 21.982) 22.003 2.252 ( 0.141 -0.492 -0.674) 0.846 2.252 ( 0.141 -0.492 0.674) 0.846 2.414 ( 1.130 0.395 -1.656) 2.043 2.414 ( 1.130 0.395 1.656) 2.043 2.928 ( -0.141 -0.008 -3.164) 3.167 2.928 ( -0.141 -0.008 3.164) 3.167 3.349 ( -1.030 -0.070 -3.672) 3.814 3.349 ( -1.030 -0.070 3.672) 3.814 3.487 ( -0.153 0.088 -1.379) 1.390 3.487 ( -0.153 0.088 1.379) 1.390 3.510 ( 0.450 -0.041 -1.143) 1.229 3.510 ( 0.450 -0.041 1.143) 1.229 3.832 ( -0.069 0.003 -3.553) 3.554 3.832 ( -0.069 0.003 3.553) 3.554 3.946 ( -0.102 -0.003 -0.400) 0.413 3.946 ( -0.102 -0.003 0.400) 0.413 4.523 ( -0.532 -0.023 -7.904) 7.922 4.523 ( -0.532 -0.023 7.904) 7.922 4.640 ( 0.227 0.026 -5.611) 5.616 4.640 ( 0.227 0.026 5.611) 5.616 5.516 ( -0.409 -0.000 -3.965) 3.986 5.516 ( -0.409 -0.000 3.965) 3.986 ======================= Grid point 362 (108/129) ======================= q-point: (-0.58 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 2.477 0.361 -0.840) 2.641 1.013 ( 2.477 0.361 0.840) 2.641 1.240 ( -4.047 -0.438 -6.095) 7.329 1.240 ( -4.047 -0.438 6.095) 7.329 1.369 ( -5.377 -3.172 -1.784) 6.493 1.369 ( -5.377 -3.172 1.784) 6.493 1.582 ( 0.154 0.042 -2.464) 2.469 1.582 ( 0.154 0.042 2.464) 2.469 1.675 ( 1.091 2.499 -1.614) 3.169 1.675 ( 1.091 2.499 1.614) 3.169 1.798 ( -3.208 -0.460 -1.517) 3.578 1.798 ( -3.208 -0.460 1.517) 3.578 2.057 ( 1.667 -0.410 -21.833) 21.900 2.057 ( 1.667 -0.410 21.833) 21.900 2.254 ( -1.455 -0.599 -0.486) 1.646 2.254 ( -1.455 -0.599 0.486) 1.646 2.401 ( -1.675 1.422 -1.928) 2.923 2.401 ( -1.675 1.422 1.928) 2.923 2.948 ( 2.068 -0.185 -3.196) 3.811 2.948 ( 2.068 -0.185 3.196) 3.811 3.277 ( -5.401 -0.434 -3.198) 6.292 3.277 ( -5.401 -0.434 3.198) 6.292 3.481 ( -0.574 -0.092 -0.859) 1.038 3.481 ( -0.574 -0.092 0.859) 1.038 3.524 ( 0.725 0.007 -0.940) 1.187 3.524 ( 0.725 0.007 0.940) 1.187 3.818 ( -1.193 -0.039 -3.368) 3.574 3.818 ( -1.193 -0.039 3.368) 3.574 3.959 ( 1.026 -0.072 -0.068) 1.030 3.959 ( 1.026 -0.072 0.068) 1.030 4.501 ( -1.436 -0.379 -3.890) 4.164 4.501 ( -1.436 -0.379 3.890) 4.164 4.691 ( 4.650 0.129 -1.078) 4.775 4.691 ( 4.650 0.129 1.078) 4.775 5.513 ( 0.040 -0.316 -3.506) 3.521 5.513 ( 0.040 -0.316 3.506) 3.521 ======================= Grid point 364 (109/129) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -0.798 0.757 -1.825) 2.130 1.028 ( -0.798 0.757 1.825) 2.130 1.120 ( -9.307 -3.487 -4.995) 11.124 1.120 ( -9.307 -3.487 4.995) 11.124 1.348 ( 0.753 -3.630 -1.993) 4.210 1.348 ( 0.753 -3.630 1.993) 4.210 1.538 ( -5.597 1.139 -1.650) 5.945 1.538 ( -5.597 1.139 1.650) 5.945 1.625 ( -0.835 3.124 -2.027) 3.816 1.625 ( -0.835 3.124 2.027) 3.816 1.808 ( 1.516 -1.003 -4.292) 4.661 1.808 ( 1.516 -1.003 4.292) 4.661 2.091 ( 1.220 -0.119 -18.783) 18.823 2.091 ( 1.220 -0.119 18.783) 18.823 2.159 ( -8.484 0.148 -0.546) 8.502 2.159 ( -8.484 0.148 0.546) 8.502 2.343 ( -3.695 1.685 -0.843) 4.148 2.343 ( -3.695 1.685 0.843) 4.148 3.000 ( 2.590 -0.495 -3.184) 4.134 3.000 ( 2.590 -0.495 3.184) 4.134 3.177 ( -4.660 -0.025 -2.953) 5.517 3.177 ( -4.660 -0.025 2.953) 5.517 3.475 ( 0.343 -0.087 -0.326) 0.481 3.475 ( 0.343 -0.087 0.326) 0.481 3.546 ( 1.663 -0.367 -0.596) 1.805 3.546 ( 1.663 -0.367 0.596) 1.805 3.789 ( -1.899 -0.096 -3.546) 4.023 3.789 ( -1.899 -0.096 3.546) 4.023 3.970 ( -0.153 -0.132 -0.380) 0.431 3.970 ( -0.153 -0.132 0.380) 0.431 4.477 ( -1.450 -0.845 -0.398) 1.724 4.477 ( -1.450 -0.845 0.398) 1.724 4.803 ( 6.862 0.208 -3.308) 7.620 4.803 ( 6.862 0.208 3.308) 7.620 5.522 ( 0.773 -0.633 -2.584) 2.771 5.522 ( 0.773 -0.633 2.584) 2.771 ======================= Grid point 366 (110/129) ======================= q-point: (-0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -11.246 -3.104 -5.254) 12.795 0.922 ( -11.246 -3.104 5.254) 12.795 1.005 ( -2.721 0.598 -3.953) 4.836 1.005 ( -2.721 0.598 3.953) 4.836 1.354 ( -4.046 -4.974 -1.632) 6.616 1.354 ( -4.046 -4.974 1.632) 6.616 1.440 ( -1.383 2.706 -2.770) 4.112 1.440 ( -1.383 2.706 2.770) 4.112 1.617 ( -0.084 1.261 -2.338) 2.658 1.617 ( -0.084 1.261 2.338) 2.658 1.812 ( -2.178 -1.472 -4.257) 5.004 1.812 ( -2.178 -1.472 4.257) 5.004 1.929 ( -11.792 2.162 -1.350) 12.064 1.929 ( -11.792 2.162 1.350) 12.064 2.132 ( 1.197 0.280 -16.960) 17.005 2.132 ( 1.197 0.280 16.960) 17.005 2.233 ( -6.418 1.510 -3.307) 7.376 2.233 ( -6.418 1.510 3.307) 7.376 3.018 ( -1.523 0.030 -3.394) 3.720 3.018 ( -1.523 0.030 3.394) 3.720 3.111 ( -1.968 0.531 -2.640) 3.335 3.111 ( -1.968 0.531 2.640) 3.335 3.501 ( 1.652 -0.100 -0.535) 1.739 3.501 ( 1.652 -0.100 0.535) 1.739 3.581 ( 1.014 -0.415 -1.129) 1.573 3.581 ( 1.014 -0.415 1.129) 1.573 3.760 ( -0.004 -0.271 -2.415) 2.431 3.760 ( -0.004 -0.271 2.415) 2.431 3.955 ( -1.269 -0.004 -0.313) 1.308 3.955 ( -1.269 -0.004 0.313) 1.308 4.452 ( -1.803 -1.576 -2.326) 3.338 4.452 ( -1.803 -1.576 2.326) 3.338 4.941 ( 7.222 0.364 -6.319) 9.603 4.941 ( 7.222 0.364 6.319) 9.603 5.551 ( 1.952 -0.747 -1.383) 2.506 5.551 ( 1.952 -0.747 1.383) 2.506 ======================= Grid point 368 (111/129) ======================= q-point: (-0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -10.707 -0.610 -5.121) 11.885 0.714 ( -10.707 -0.610 5.121) 11.885 0.929 ( -4.547 2.881 -2.807) 6.071 0.929 ( -4.547 2.881 2.807) 6.071 1.304 ( -2.681 -5.331 -0.312) 5.975 1.304 ( -2.681 -5.331 0.312) 5.975 1.387 ( -5.704 1.133 -4.510) 7.360 1.387 ( -5.704 1.133 4.510) 7.360 1.568 ( -3.428 0.553 -7.907) 8.636 1.568 ( -3.428 0.553 7.907) 8.636 1.741 ( -4.137 -1.165 -2.261) 4.857 1.741 ( -4.137 -1.165 2.261) 4.857 1.764 ( -5.307 -0.011 -1.413) 5.492 1.764 ( -5.307 -0.011 1.413) 5.492 2.052 ( -6.904 2.081 -2.904) 7.774 2.052 ( -6.904 2.081 2.904) 7.774 2.198 ( 2.880 2.224 -15.851) 16.264 2.198 ( 2.880 2.224 15.851) 16.264 2.944 ( -5.408 0.659 -2.849) 6.148 2.944 ( -5.408 0.659 2.849) 6.148 3.089 ( -0.433 0.869 -2.723) 2.891 3.089 ( -0.433 0.869 2.723) 2.891 3.467 ( -6.009 -0.706 -1.665) 6.275 3.467 ( -6.009 -0.706 1.665) 6.275 3.603 ( 2.022 -0.070 -3.258) 3.835 3.603 ( 2.022 -0.070 3.258) 3.835 3.814 ( 4.043 -0.046 -1.592) 4.346 3.814 ( 4.043 -0.046 1.592) 4.346 3.936 ( 0.028 0.304 -0.278) 0.413 3.936 ( 0.028 0.304 0.278) 0.413 4.421 ( -2.507 -2.583 -4.164) 5.504 4.421 ( -2.507 -2.583 4.164) 5.504 5.062 ( 5.383 0.536 -8.097) 9.738 5.062 ( 5.383 0.536 8.097) 9.738 5.606 ( 3.287 -0.609 -0.435) 3.372 5.606 ( 3.287 -0.609 0.435) 3.372 ======================= Grid point 370 (112/129) ======================= q-point: (-0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -5.716 3.749 -4.961) 8.446 0.543 ( -5.716 3.749 4.961) 8.446 0.807 ( -5.722 4.987 -7.029) 10.345 0.807 ( -5.722 4.987 7.029) 10.345 1.189 ( -8.780 -0.519 -5.555) 10.402 1.189 ( -8.780 -0.519 5.555) 10.402 1.344 ( 1.055 -3.468 -3.999) 5.397 1.344 ( 1.055 -3.468 3.999) 5.397 1.545 ( 0.000 -0.002 -9.140) 9.140 1.545 ( 0.000 -0.002 9.140) 9.140 1.650 ( -5.403 -4.709 -3.420) 7.941 1.650 ( -5.403 -4.709 3.420) 7.941 1.696 ( -3.013 -0.130 -1.408) 3.329 1.696 ( -3.013 -0.130 1.408) 3.329 1.950 ( -1.821 3.944 -2.962) 5.258 1.950 ( -1.821 3.944 2.962) 5.258 2.253 ( 3.629 2.704 -16.180) 16.801 2.253 ( 3.629 2.704 16.180) 16.801 2.834 ( -4.850 0.455 -1.944) 5.245 2.834 ( -4.850 0.455 1.944) 5.245 3.067 ( -1.662 0.708 -2.074) 2.750 3.067 ( -1.662 0.708 2.074) 2.750 3.340 ( -6.125 -0.867 -2.012) 6.505 3.340 ( -6.125 -0.867 2.012) 6.505 3.639 ( 1.530 0.452 -2.730) 3.162 3.639 ( 1.530 0.452 2.730) 3.162 3.858 ( 0.767 0.242 -0.556) 0.978 3.858 ( 0.767 0.242 0.556) 0.978 3.969 ( 2.629 0.334 -1.084) 2.863 3.969 ( 2.629 0.334 1.084) 2.863 4.386 ( -2.505 -3.472 -4.953) 6.547 4.386 ( -2.505 -3.472 4.953) 6.547 5.135 ( 2.562 0.626 -8.566) 8.963 5.135 ( 2.562 0.626 8.566) 8.963 5.673 ( 3.046 -0.483 -0.959) 3.230 5.673 ( 3.046 -0.483 0.959) 3.230 ======================= Grid point 372 (113/129) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -0.000 6.969 -6.195) 9.324 0.464 ( -0.000 6.969 6.195) 9.324 0.711 ( -0.000 4.239 -11.735) 12.477 0.711 ( -0.000 4.239 11.735) 12.477 1.100 ( -0.000 0.146 -8.279) 8.280 1.100 ( -0.000 0.146 8.279) 8.280 1.374 ( 0.000 -2.413 -3.814) 4.513 1.374 ( 0.000 -2.413 3.814) 4.513 1.542 ( 0.000 -0.973 -11.113) 11.155 1.542 ( 0.000 -0.973 11.113) 11.155 1.631 ( 0.000 -5.601 -2.167) 6.006 1.631 ( 0.000 -5.601 2.167) 6.006 1.657 ( 0.000 -0.266 -1.563) 1.585 1.657 ( 0.000 -0.266 1.563) 1.585 1.919 ( -0.000 4.673 -3.113) 5.615 1.919 ( -0.000 4.673 3.113) 5.615 2.284 ( -0.000 2.177 -15.639) 15.790 2.284 ( -0.000 2.177 15.639) 15.790 2.782 ( -0.000 0.130 -1.418) 1.424 2.782 ( -0.000 0.130 1.418) 1.424 3.039 ( -0.000 0.167 -0.115) 0.203 3.039 ( -0.000 0.167 0.115) 0.203 3.280 ( 0.000 -0.201 -2.158) 2.168 3.280 ( 0.000 -0.201 2.158) 2.168 3.651 ( -0.000 0.587 -2.457) 2.526 3.651 ( -0.000 0.587 2.457) 2.526 3.864 ( -0.000 0.088 -0.809) 0.814 3.864 ( -0.000 0.088 0.809) 0.814 3.995 ( -0.000 0.430 -1.293) 1.363 3.995 ( -0.000 0.430 1.293) 1.363 4.376 ( 0.000 -3.614 -5.456) 6.544 4.376 ( 0.000 -3.614 5.456) 6.544 5.156 ( -0.000 0.621 -8.577) 8.600 5.156 ( -0.000 0.621 8.577) 8.600 5.709 ( 0.000 -0.564 -2.018) 2.095 5.709 ( 0.000 -0.564 2.018) 2.095 ======================= Grid point 382 (114/129) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.384 -0.000 -1.224) 1.282 0.974 ( 0.384 -0.000 1.224) 1.282 1.306 ( -1.583 0.000 -4.663) 4.925 1.306 ( -1.583 0.000 4.663) 4.925 1.458 ( -4.868 0.000 -0.723) 4.922 1.458 ( -4.868 0.000 0.723) 4.922 1.562 ( 1.965 -0.000 -0.978) 2.195 1.562 ( 1.965 -0.000 0.978) 2.195 1.635 ( 1.334 -0.000 -2.522) 2.853 1.635 ( 1.334 -0.000 2.522) 2.853 1.850 ( 1.098 -0.000 -0.767) 1.340 1.850 ( 1.098 -0.000 0.767) 1.340 2.041 ( -1.132 0.000 -22.148) 22.177 2.041 ( -1.132 0.000 22.148) 22.177 2.249 ( 0.181 -0.000 -0.802) 0.822 2.249 ( 0.181 -0.000 0.802) 0.822 2.416 ( 1.294 -0.000 -1.653) 2.099 2.416 ( 1.294 -0.000 1.653) 2.099 2.928 ( -0.163 0.000 -3.170) 3.174 2.928 ( -0.163 0.000 3.170) 3.174 3.348 ( -1.187 0.000 -3.665) 3.852 3.348 ( -1.187 0.000 3.665) 3.852 3.488 ( -0.195 0.000 -1.441) 1.454 3.488 ( -0.195 0.000 1.441) 1.454 3.510 ( 0.535 -0.000 -1.310) 1.415 3.510 ( 0.535 -0.000 1.310) 1.415 3.832 ( -0.080 0.000 -3.554) 3.555 3.832 ( -0.080 0.000 3.554) 3.555 3.946 ( -0.117 0.000 -0.399) 0.416 3.946 ( -0.117 0.000 0.399) 0.416 4.523 ( -0.614 0.000 -7.888) 7.912 4.523 ( -0.614 0.000 7.888) 7.912 4.640 ( 0.262 -0.000 -5.594) 5.600 4.640 ( 0.262 -0.000 5.594) 5.600 5.516 ( -0.473 0.000 -3.965) 3.993 5.516 ( -0.473 0.000 3.965) 3.993 ======================= Grid point 384 (115/129) ======================= q-point: (-0.67 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 3.036 0.112 -1.185) 3.261 1.015 ( 3.036 0.112 1.185) 3.261 1.240 ( -5.788 0.222 -6.644) 8.814 1.240 ( -5.788 0.222 6.644) 8.814 1.344 ( -5.014 -1.522 -2.022) 5.616 1.344 ( -5.014 -1.522 2.022) 5.616 1.583 ( -0.085 -0.006 -2.350) 2.352 1.583 ( -0.085 -0.006 2.350) 2.352 1.694 ( 3.144 1.182 -1.911) 3.864 1.694 ( 3.144 1.182 1.911) 3.864 1.793 ( -4.705 -0.397 -1.027) 4.832 1.793 ( -4.705 -0.397 1.027) 4.832 2.054 ( 1.666 -0.145 -22.005) 22.069 2.054 ( 1.666 -0.145 22.005) 22.069 2.250 ( -1.439 -0.245 -0.602) 1.579 2.250 ( -1.439 -0.245 0.602) 1.579 2.411 ( -1.400 0.528 -1.993) 2.492 2.411 ( -1.400 0.528 1.993) 2.492 2.946 ( 1.961 -0.066 -3.259) 3.804 2.946 ( 1.961 -0.066 3.259) 3.804 3.274 ( -5.340 -0.162 -3.175) 6.215 3.274 ( -5.340 -0.162 3.175) 6.215 3.481 ( -0.599 -0.035 -0.751) 0.961 3.481 ( -0.599 -0.035 0.751) 0.961 3.524 ( 0.598 0.003 -1.007) 1.171 3.524 ( 0.598 0.003 1.007) 1.171 3.818 ( -1.201 -0.014 -3.359) 3.567 3.818 ( -1.201 -0.014 3.359) 3.567 3.959 ( 1.006 -0.026 -0.056) 1.008 3.959 ( 1.006 -0.026 0.056) 1.008 4.499 ( -1.540 -0.141 -3.807) 4.109 4.499 ( -1.540 -0.141 3.807) 4.109 4.692 ( 4.662 0.049 -0.823) 4.734 4.692 ( 4.662 0.049 0.823) 4.734 5.511 ( -0.059 -0.115 -3.434) 3.437 5.511 ( -0.059 -0.115 3.434) 3.437 ======================= Grid point 386 (116/129) ======================= q-point: (-0.58 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -1.276 1.250 -1.962) 2.654 1.039 ( -1.276 1.250 1.962) 2.654 1.089 ( -9.157 -2.634 -5.197) 10.853 1.089 ( -9.157 -2.634 5.197) 10.853 1.318 ( 0.354 -2.177 -2.541) 3.364 1.318 ( 0.354 -2.177 2.541) 3.364 1.545 ( -4.309 0.367 -1.985) 4.758 1.545 ( -4.309 0.367 1.985) 4.758 1.656 ( -2.240 2.638 -1.485) 3.766 1.656 ( -2.240 2.638 1.485) 3.766 1.796 ( 1.704 -1.203 -4.165) 4.659 1.796 ( 1.704 -1.203 4.165) 4.659 2.090 ( 1.688 -0.052 -19.293) 19.367 2.090 ( 1.688 -0.052 19.293) 19.367 2.160 ( -8.007 0.051 -0.563) 8.027 2.160 ( -8.007 0.051 0.563) 8.027 2.357 ( -4.063 0.962 -0.674) 4.230 2.357 ( -4.063 0.962 0.674) 4.230 2.996 ( 2.611 -0.296 -3.189) 4.132 2.996 ( 2.611 -0.296 3.189) 4.132 3.176 ( -4.392 -0.005 -2.979) 5.307 3.176 ( -4.392 -0.005 2.979) 5.307 3.475 ( 0.357 -0.051 -0.208) 0.416 3.475 ( 0.357 -0.051 0.208) 0.416 3.543 ( 1.600 -0.220 -0.679) 1.752 3.543 ( 1.600 -0.220 0.679) 1.752 3.788 ( -1.942 -0.054 -3.481) 3.987 3.788 ( -1.942 -0.054 3.481) 3.987 3.969 ( -0.150 -0.074 -0.361) 0.398 3.969 ( -0.150 -0.074 0.361) 0.398 4.470 ( -1.639 -0.492 -0.431) 1.765 4.470 ( -1.639 -0.492 0.431) 1.765 4.805 ( 6.895 0.121 -3.547) 7.755 4.805 ( 6.895 0.121 3.547) 7.755 5.517 ( 0.714 -0.363 -2.363) 2.495 5.517 ( 0.714 -0.363 2.363) 2.495 ======================= Grid point 388 (117/129) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -10.452 -2.315 -6.203) 12.372 0.894 ( -10.452 -2.315 6.203) 12.372 1.013 ( -2.189 0.817 -3.499) 4.208 1.013 ( -2.189 0.817 3.499) 4.208 1.308 ( -4.092 -3.823 -2.322) 6.062 1.308 ( -4.092 -3.823 2.322) 6.062 1.464 ( -1.952 1.887 -3.095) 4.117 1.464 ( -1.952 1.887 3.095) 4.117 1.632 ( -0.269 1.697 -2.261) 2.840 1.632 ( -0.269 1.697 2.261) 2.840 1.795 ( -3.076 -1.758 -4.077) 5.402 1.795 ( -3.076 -1.758 4.077) 5.402 1.947 ( -11.354 1.398 -2.210) 11.652 1.947 ( -11.354 1.398 2.210) 11.652 2.134 ( 1.352 0.140 -16.504) 16.559 2.134 ( 1.352 0.140 16.504) 16.559 2.247 ( -5.957 1.189 -3.407) 6.965 2.247 ( -5.957 1.189 3.407) 6.965 3.018 ( -1.117 0.018 -3.518) 3.691 3.018 ( -1.117 0.018 3.518) 3.691 3.116 ( -1.800 0.377 -2.622) 3.202 3.116 ( -1.800 0.377 2.622) 3.202 3.501 ( 1.663 -0.051 -0.568) 1.758 3.501 ( 1.663 -0.051 0.568) 1.758 3.577 ( 0.964 -0.332 -1.187) 1.565 3.577 ( 0.964 -0.332 1.187) 1.565 3.758 ( -0.037 -0.201 -2.129) 2.139 3.758 ( -0.037 -0.201 2.129) 2.139 3.955 ( -1.139 -0.007 -0.292) 1.176 3.955 ( -1.139 -0.007 0.292) 1.176 4.438 ( -2.159 -1.156 -1.789) 3.033 4.438 ( -2.159 -1.156 1.789) 3.033 4.944 ( 7.289 0.259 -6.585) 9.826 4.944 ( 7.289 0.259 6.585) 9.826 5.545 ( 2.003 -0.527 -1.022) 2.309 5.545 ( 2.003 -0.527 1.022) 2.309 ======================= Grid point 390 (118/129) ======================= q-point: (-0.42 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -8.727 -0.052 -5.033) 10.075 0.711 ( -8.727 -0.052 5.033) 10.075 0.958 ( -3.020 2.786 -2.771) 4.956 0.958 ( -3.020 2.786 2.771) 4.956 1.242 ( -4.174 -6.305 -2.578) 7.989 1.242 ( -4.174 -6.305 2.578) 7.989 1.412 ( -4.492 2.828 -3.732) 6.488 1.412 ( -4.492 2.828 3.732) 6.488 1.577 ( -4.049 1.356 -6.953) 8.160 1.577 ( -4.049 1.356 6.953) 8.160 1.710 ( -5.785 -3.852 -3.055) 7.592 1.710 ( -5.785 -3.852 3.055) 7.592 1.776 ( -5.470 1.373 -3.590) 6.685 1.776 ( -5.470 1.373 3.590) 6.685 2.070 ( -5.924 1.457 -4.009) 7.300 2.070 ( -5.924 1.457 4.009) 7.300 2.220 ( 3.195 1.998 -15.913) 16.353 2.220 ( 3.195 1.998 15.913) 16.353 2.950 ( -5.296 0.593 -3.148) 6.190 2.950 ( -5.296 0.593 3.148) 6.190 3.097 ( -0.315 0.744 -2.604) 2.727 3.097 ( -0.315 0.744 2.604) 2.727 3.460 ( -6.462 -0.643 -1.488) 6.662 3.460 ( -6.462 -0.643 1.488) 6.662 3.602 ( 2.376 -0.055 -3.365) 4.119 3.602 ( 2.376 -0.055 3.365) 4.119 3.814 ( 4.256 -0.047 -1.859) 4.645 3.814 ( 4.256 -0.047 1.859) 4.645 3.939 ( 0.072 0.217 -0.285) 0.365 3.939 ( 0.072 0.217 0.285) 0.365 4.397 ( -2.975 -2.177 -2.830) 4.647 4.397 ( -2.975 -2.177 2.830) 4.647 5.067 ( 5.433 0.431 -8.251) 9.888 5.067 ( 5.433 0.431 8.251) 9.888 5.600 ( 3.437 -0.444 -0.481) 3.498 5.600 ( 3.437 -0.444 0.481) 3.498 ======================= Grid point 392 (119/129) ======================= q-point: (-0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -3.111 4.119 -3.225) 6.086 0.583 ( -3.111 4.119 3.225) 6.086 0.859 ( -5.157 5.282 -5.625) 9.280 0.859 ( -5.157 5.282 5.625) 9.280 1.173 ( -6.796 -2.894 -4.501) 8.650 1.173 ( -6.796 -2.894 4.501) 8.650 1.320 ( -0.501 -1.154 -3.924) 4.120 1.320 ( -0.501 -1.154 3.924) 4.120 1.544 ( -0.505 -0.269 -9.612) 9.629 1.544 ( -0.505 -0.269 9.612) 9.629 1.603 ( -5.847 -4.338 -2.176) 7.599 1.603 ( -5.847 -4.338 2.176) 7.599 1.697 ( -3.367 0.176 -1.937) 3.888 1.697 ( -3.367 0.176 1.937) 3.888 1.983 ( -1.718 2.726 -3.878) 5.042 1.983 ( -1.718 2.726 3.878) 5.042 2.280 ( 3.752 2.764 -16.028) 16.692 2.280 ( 3.752 2.764 16.028) 16.692 2.839 ( -5.090 0.460 -2.132) 5.537 2.839 ( -5.090 0.460 2.132) 5.537 3.075 ( -1.986 0.710 -2.025) 2.923 3.075 ( -1.986 0.710 2.025) 2.923 3.331 ( -5.765 -0.849 -1.480) 6.012 3.331 ( -5.765 -0.849 1.480) 6.012 3.644 ( 1.715 0.445 -2.933) 3.426 3.644 ( 1.715 0.445 2.933) 3.426 3.861 ( 0.735 0.242 -0.643) 1.006 3.861 ( 0.735 0.242 0.643) 1.006 3.971 ( 2.664 0.214 -1.299) 2.972 3.971 ( 2.664 0.214 1.299) 2.972 4.352 ( -2.821 -3.199 -3.292) 5.388 4.352 ( -2.821 -3.199 3.292) 5.388 5.141 ( 2.584 0.557 -8.502) 8.903 5.141 ( 2.584 0.557 8.502) 8.903 5.670 ( 3.117 -0.271 -0.625) 3.190 5.670 ( 3.117 -0.271 0.625) 3.190 ======================= Grid point 394 (120/129) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -0.000 7.380 -3.462) 8.152 0.536 ( -0.000 7.380 3.462) 8.152 0.759 ( -0.000 5.156 -10.294) 11.513 0.759 ( -0.000 5.156 10.294) 11.513 1.101 ( -0.000 0.177 -6.301) 6.303 1.101 ( -0.000 0.177 6.301) 6.303 1.346 ( 0.000 -3.175 -3.225) 4.526 1.346 ( 0.000 -3.175 3.225) 4.526 1.522 ( 0.000 -3.192 -11.337) 11.777 1.522 ( 0.000 -3.192 11.337) 11.777 1.588 ( 0.000 -2.683 -4.962) 5.641 1.588 ( 0.000 -2.683 4.962) 5.641 1.654 ( 0.000 -0.297 -2.200) 2.220 1.654 ( 0.000 -0.297 2.200) 2.220 1.958 ( -0.000 3.269 -3.967) 5.141 1.958 ( -0.000 3.269 3.967) 5.141 2.310 ( -0.000 2.832 -15.579) 15.835 2.310 ( -0.000 2.832 15.579) 15.835 2.783 ( -0.000 0.150 -1.433) 1.441 2.783 ( -0.000 0.150 1.433) 1.441 3.040 ( -0.000 0.191 -0.097) 0.215 3.040 ( -0.000 0.191 0.097) 0.215 3.278 ( 0.000 -0.174 -1.707) 1.716 3.278 ( 0.000 -0.174 1.707) 1.716 3.658 ( -0.000 0.648 -2.682) 2.759 3.658 ( -0.000 0.648 2.682) 2.759 3.865 ( -0.000 0.102 -0.805) 0.812 3.865 ( -0.000 0.102 0.805) 0.812 3.999 ( -0.000 0.375 -1.624) 1.666 3.999 ( -0.000 0.375 1.624) 1.666 4.339 ( 0.000 -3.743 -4.354) 5.741 4.339 ( 0.000 -3.743 4.354) 5.741 5.163 ( -0.000 0.632 -8.427) 8.450 5.163 ( -0.000 0.632 8.427) 8.450 5.704 ( 0.000 -0.335 -1.342) 1.384 5.704 ( 0.000 -0.335 1.342) 1.384 ======================= Grid point 408 (121/129) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.375 0.000 -3.859) 3.878 1.048 ( -0.375 0.000 3.859) 3.878 1.073 ( -10.182 0.000 -6.804) 12.247 1.073 ( -10.182 0.000 6.804) 12.247 1.307 ( 0.242 -0.000 -2.717) 2.728 1.307 ( 0.242 -0.000 2.717) 2.728 1.546 ( -3.930 0.000 -2.062) 4.438 1.546 ( -3.930 0.000 2.062) 4.438 1.670 ( -2.897 0.000 -0.168) 2.902 1.670 ( -2.897 0.000 0.168) 2.902 1.789 ( 1.975 -0.000 -3.971) 4.435 1.789 ( 1.975 -0.000 3.971) 4.435 2.090 ( 1.851 -0.000 -19.446) 19.534 2.090 ( 1.851 -0.000 19.446) 19.534 2.160 ( -7.835 0.000 -0.941) 7.891 2.160 ( -7.835 0.000 0.941) 7.891 2.362 ( -4.186 0.000 -0.625) 4.233 2.362 ( -4.186 0.000 0.625) 4.233 2.995 ( 2.615 -0.000 -3.188) 4.123 2.995 ( 2.615 -0.000 3.188) 4.123 3.176 ( -4.294 0.000 -2.986) 5.230 3.176 ( -4.294 0.000 2.986) 5.230 3.474 ( 0.365 -0.000 -0.081) 0.374 3.474 ( 0.365 -0.000 0.081) 0.374 3.541 ( 1.574 -0.000 -0.711) 1.727 3.541 ( 1.574 -0.000 0.711) 1.727 3.788 ( -1.958 0.000 -3.457) 3.972 3.788 ( -1.958 0.000 3.457) 3.972 3.969 ( -0.150 0.000 -0.353) 0.384 3.969 ( -0.150 0.000 0.353) 0.384 4.468 ( -1.708 0.000 -0.443) 1.765 4.468 ( -1.708 0.000 0.443) 1.765 4.806 ( 6.907 -0.000 -3.631) 7.803 4.806 ( 6.907 -0.000 3.631) 7.803 5.516 ( 0.694 -0.000 -2.274) 2.377 5.516 ( 0.694 -0.000 2.274) 2.377 ======================= Grid point 412 (122/129) ======================= q-point: (-0.58 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -9.941 -0.833 -6.495) 11.904 0.878 ( -9.941 -0.833 6.495) 11.904 1.019 ( -1.919 0.351 -2.610) 3.259 1.019 ( -1.919 0.351 2.610) 3.259 1.281 ( -4.351 -1.393 -2.564) 5.239 1.281 ( -4.351 -1.393 2.564) 5.239 1.476 ( -1.984 0.595 -3.628) 4.177 1.476 ( -1.984 0.595 3.628) 4.177 1.646 ( -0.191 0.906 -2.445) 2.614 1.646 ( -0.191 0.906 2.445) 2.614 1.781 ( -3.757 -0.872 -3.624) 5.292 1.781 ( -3.757 -0.872 3.624) 5.292 1.956 ( -11.193 0.472 -2.788) 11.545 1.956 ( -11.193 0.472 2.788) 11.545 2.135 ( 1.428 0.041 -16.261) 16.323 2.135 ( 1.428 0.041 16.261) 16.323 2.255 ( -5.680 0.449 -3.444) 6.658 2.255 ( -5.680 0.449 3.444) 6.658 3.018 ( -0.869 0.006 -3.600) 3.703 3.018 ( -0.869 0.006 3.600) 3.703 3.118 ( -1.714 0.135 -2.610) 3.125 3.118 ( -1.714 0.135 2.610) 3.125 3.500 ( 1.675 -0.013 -0.581) 1.773 3.500 ( 1.675 -0.013 0.581) 1.773 3.575 ( 0.928 -0.128 -1.210) 1.531 3.575 ( 0.928 -0.128 1.210) 1.531 3.757 ( -0.057 -0.074 -1.949) 1.951 3.757 ( -0.057 -0.074 1.949) 1.951 3.955 ( -1.068 -0.003 -0.283) 1.105 3.955 ( -1.068 -0.003 0.283) 1.105 4.430 ( -2.360 -0.424 -1.459) 2.806 4.430 ( -2.360 -0.424 1.459) 2.806 4.945 ( 7.325 0.093 -6.729) 9.947 4.945 ( 7.325 0.093 6.729) 9.947 5.541 ( 2.039 -0.189 -0.720) 2.171 5.541 ( 2.039 -0.189 0.720) 2.171 ======================= Grid point 414 (123/129) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -7.131 0.165 -4.572) 8.472 0.712 ( -7.131 0.165 4.572) 8.472 0.983 ( -1.569 2.042 -2.137) 3.347 0.983 ( -1.569 2.042 2.137) 3.347 1.188 ( -5.360 -4.119 -3.590) 7.654 1.188 ( -5.360 -4.119 3.590) 7.654 1.435 ( -3.625 1.673 -2.914) 4.943 1.435 ( -3.625 1.673 2.914) 4.943 1.596 ( -5.020 2.576 -5.152) 7.640 1.596 ( -5.020 2.576 5.152) 7.640 1.670 ( -6.352 -3.995 -2.104) 7.793 1.670 ( -6.352 -3.995 2.104) 7.793 1.786 ( -5.856 0.714 -4.280) 7.289 1.786 ( -5.856 0.714 4.280) 7.289 2.081 ( -5.342 0.716 -4.706) 7.155 2.081 ( -5.342 0.716 4.706) 7.155 2.236 ( 3.364 1.177 -15.933) 16.327 2.236 ( 3.364 1.177 15.933) 16.327 2.955 ( -5.217 0.354 -3.395) 6.234 2.955 ( -5.217 0.354 3.395) 6.234 3.103 ( -0.210 0.426 -2.499) 2.543 3.103 ( -0.210 0.426 2.499) 2.543 3.455 ( -6.804 -0.388 -1.319) 6.942 3.455 ( -6.804 -0.388 1.319) 6.942 3.601 ( 2.640 -0.031 -3.437) 4.334 3.601 ( 2.640 -0.031 3.437) 4.334 3.813 ( 4.411 -0.029 -2.033) 4.857 3.813 ( 4.411 -0.029 2.033) 4.857 3.941 ( 0.081 0.105 -0.280) 0.310 3.941 ( 0.081 0.105 0.280) 0.310 4.380 ( -3.274 -1.229 -1.766) 3.918 4.380 ( -3.274 -1.229 1.766) 3.918 5.070 ( 5.460 0.235 -8.344) 9.974 5.070 ( 5.460 0.235 8.344) 9.974 5.597 ( 3.572 -0.223 -0.516) 3.616 5.597 ( 3.572 -0.223 0.516) 3.616 ======================= Grid point 416 (124/129) ======================= q-point: (-0.42 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -1.219 3.287 -1.360) 3.760 0.621 ( -1.219 3.287 1.360) 3.760 0.909 ( -4.720 4.772 -5.060) 8.406 0.909 ( -4.720 4.772 5.060) 8.406 1.134 ( -3.290 -4.437 -3.857) 6.737 1.134 ( -3.290 -4.437 3.857) 6.737 1.320 ( -3.818 0.883 -3.142) 5.023 1.320 ( -3.818 0.883 3.142) 5.023 1.537 ( -3.212 -1.340 -9.163) 9.802 1.537 ( -3.212 -1.340 9.163) 9.802 1.569 ( -3.465 -2.298 -3.539) 5.460 1.569 ( -3.465 -2.298 3.539) 5.460 1.698 ( -3.803 0.134 -2.643) 4.633 1.698 ( -3.803 0.134 2.643) 4.633 2.005 ( -1.701 1.591 -4.586) 5.144 2.005 ( -1.701 1.591 4.586) 5.144 2.305 ( 3.902 2.022 -15.970) 16.564 2.305 ( 3.902 2.022 15.970) 16.564 2.843 ( -5.306 0.340 -2.293) 5.790 2.843 ( -5.306 0.340 2.293) 5.790 3.081 ( -2.286 0.521 -1.966) 3.060 3.081 ( -2.286 0.521 1.966) 3.060 3.324 ( -5.401 -0.614 -1.026) 5.532 3.324 ( -5.401 -0.614 1.026) 5.532 3.648 ( 1.858 0.316 -3.108) 3.635 3.648 ( 1.858 0.316 3.108) 3.635 3.863 ( 0.706 0.177 -0.687) 1.001 3.863 ( 0.706 0.177 0.687) 1.001 3.973 ( 2.679 0.075 -1.570) 3.106 3.973 ( 2.679 0.075 1.570) 3.106 4.325 ( -2.992 -2.164 -2.053) 4.225 4.325 ( -2.992 -2.164 2.053) 4.225 5.146 ( 2.596 0.369 -8.410) 8.809 5.146 ( 2.596 0.369 8.410) 8.809 5.668 ( 3.221 -0.083 -0.442) 3.252 5.668 ( 3.221 -0.083 0.442) 3.252 ======================= Grid point 418 (125/129) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -0.000 6.120 -1.603) 6.326 0.605 ( -0.000 6.120 1.603) 6.326 0.810 ( -0.000 4.863 -8.953) 10.188 0.810 ( -0.000 4.863 8.953) 10.188 1.103 ( -0.000 0.133 -5.190) 5.192 1.103 ( -0.000 0.133 5.190) 5.192 1.313 ( 0.000 -3.244 -2.614) 4.166 1.313 ( 0.000 -3.244 2.614) 4.166 1.485 ( 0.000 -3.808 -9.157) 9.918 1.485 ( 0.000 -3.808 9.157) 9.918 1.573 ( 0.000 -0.765 -7.144) 7.184 1.573 ( 0.000 -0.765 7.144) 7.184 1.651 ( 0.000 -0.250 -2.772) 2.783 1.651 ( 0.000 -0.250 2.772) 2.783 1.984 ( -0.000 2.061 -4.659) 5.094 1.984 ( -0.000 2.061 4.659) 5.094 2.338 ( -0.000 2.568 -15.407) 15.620 2.338 ( -0.000 2.568 15.407) 15.620 2.785 ( -0.000 0.130 -1.448) 1.454 2.785 ( -0.000 0.130 1.448) 1.454 3.042 ( -0.000 0.165 -0.079) 0.182 3.042 ( -0.000 0.165 0.079) 0.182 3.277 ( 0.000 -0.101 -1.342) 1.346 3.277 ( 0.000 -0.101 1.342) 1.346 3.664 ( -0.000 0.527 -2.894) 2.942 3.664 ( -0.000 0.527 2.894) 2.942 3.866 ( -0.000 0.088 -0.802) 0.806 3.866 ( -0.000 0.088 0.802) 0.806 4.002 ( -0.000 0.208 -2.105) 2.116 4.002 ( -0.000 0.208 2.105) 2.116 4.305 ( 0.000 -2.877 -3.765) 4.739 4.305 ( 0.000 -2.877 3.765) 4.739 5.168 ( -0.000 0.486 -8.227) 8.242 5.168 ( -0.000 0.486 8.227) 8.242 5.702 ( 0.000 -0.068 -0.781) 0.784 5.702 ( 0.000 -0.068 0.781) 0.784 ======================= Grid point 436 (126/129) ======================= q-point: (-0.58 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -6.513 0.000 -4.317) 7.814 0.713 ( -6.513 0.000 4.317) 7.814 0.994 ( -0.766 0.000 -0.853) 1.146 0.994 ( -0.766 0.000 0.853) 1.146 1.167 ( -6.081 0.000 -3.908) 7.229 1.167 ( -6.081 0.000 3.908) 7.229 1.444 ( -3.219 0.000 -2.463) 4.053 1.444 ( -3.219 0.000 2.463) 4.053 1.621 ( -5.140 0.000 -5.119) 7.254 1.621 ( -5.140 0.000 5.119) 7.254 1.639 ( -6.875 0.000 -1.831) 7.115 1.639 ( -6.875 0.000 1.831) 7.115 1.790 ( -5.987 0.000 -4.488) 7.482 1.790 ( -5.987 0.000 4.488) 7.482 2.085 ( -5.148 0.000 -4.932) 7.130 2.085 ( -5.148 0.000 4.932) 7.130 2.242 ( 3.416 -0.000 -15.937) 16.299 2.242 ( 3.416 -0.000 15.937) 16.299 2.957 ( -5.189 0.000 -3.492) 6.254 2.957 ( -5.189 0.000 3.492) 6.254 3.105 ( -0.167 0.000 -2.455) 2.461 3.105 ( -0.167 0.000 2.455) 2.461 3.453 ( -6.933 0.000 -1.247) 7.044 3.453 ( -6.933 0.000 1.247) 7.044 3.601 ( 2.738 -0.000 -3.461) 4.413 3.601 ( 2.738 -0.000 3.461) 4.413 3.813 ( 4.467 -0.000 -2.093) 4.933 3.813 ( 4.467 -0.000 2.093) 4.933 3.941 ( 0.079 -0.000 -0.276) 0.288 3.941 ( 0.079 -0.000 0.276) 0.288 4.374 ( -3.374 0.000 -1.303) 3.616 4.374 ( -3.374 0.000 1.303) 3.616 5.072 ( 5.468 -0.000 -8.374) 10.001 5.072 ( 5.468 -0.000 8.374) 10.001 5.596 ( 3.627 -0.000 -0.529) 3.665 5.596 ( 3.627 -0.000 0.529) 3.665 ======================= Grid point 440 (127/129) ======================= q-point: (-0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -0.247 1.272 -0.106) 1.300 0.644 ( -0.247 1.272 0.106) 1.300 0.948 ( -4.910 2.498 -5.721) 7.942 0.948 ( -4.910 2.498 5.721) 7.942 1.096 ( -0.939 -2.597 -4.182) 5.012 1.096 ( -0.939 -2.597 4.182) 5.012 1.329 ( -5.740 0.680 -1.510) 5.975 1.329 ( -5.740 0.680 1.510) 5.975 1.522 ( -6.298 -1.120 -4.021) 7.555 1.522 ( -6.298 -1.120 4.021) 7.555 1.557 ( -0.427 -0.367 -7.589) 7.610 1.557 ( -0.427 -0.367 7.589) 7.610 1.699 ( -4.053 0.046 -3.080) 5.091 1.699 ( -4.053 0.046 3.080) 5.091 2.015 ( -1.685 0.525 -4.946) 5.252 2.015 ( -1.685 0.525 4.946) 5.252 2.319 ( 3.992 0.736 -15.984) 16.491 2.319 ( 3.992 0.736 15.984) 16.491 2.846 ( -5.435 0.125 -2.386) 5.937 2.846 ( -5.435 0.125 2.386) 5.937 3.084 ( -2.470 0.191 -1.924) 3.136 3.084 ( -2.470 0.191 1.924) 3.136 3.320 ( -5.166 -0.224 -0.768) 5.228 3.320 ( -5.166 -0.224 0.768) 5.228 3.650 ( 1.933 0.113 -3.209) 3.748 3.650 ( 1.933 0.113 3.209) 3.748 3.864 ( 0.690 0.065 -0.699) 0.984 3.864 ( 0.690 0.065 0.699) 0.984 3.973 ( 2.680 0.009 -1.762) 3.207 3.973 ( 2.680 0.009 1.762) 3.207 4.310 ( -3.049 -0.754 -1.346) 3.417 4.310 ( -3.049 -0.754 1.346) 3.417 5.149 ( 2.601 0.128 -8.345) 8.741 5.149 ( 2.601 0.128 8.345) 8.741 5.667 ( 3.295 -0.008 -0.396) 3.319 5.667 ( 3.295 -0.008 0.396) 3.319 ======================= Grid point 442 (128/129) ======================= q-point: (-0.42 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -0.000 3.506 -2.146) 4.111 0.654 ( -0.000 3.506 2.146) 4.111 0.851 ( -0.000 3.093 -8.031) 8.606 0.851 ( -0.000 3.093 8.031) 8.606 1.104 ( -0.000 0.056 -4.837) 4.837 1.104 ( -0.000 0.056 4.837) 4.837 1.285 ( 0.000 -2.195 -2.109) 3.044 1.285 ( 0.000 -2.195 2.109) 3.044 1.453 ( 0.000 -2.319 -7.368) 7.725 1.453 ( 0.000 -2.319 7.368) 7.725 1.569 ( 0.000 -0.256 -8.664) 8.668 1.569 ( 0.000 -0.256 8.664) 8.668 1.649 ( 0.000 -0.141 -3.154) 3.157 1.649 ( 0.000 -0.141 3.154) 3.157 2.000 ( -0.000 1.028 -5.008) 5.112 2.000 ( -0.000 1.028 5.008) 5.112 2.358 ( -0.000 1.490 -15.303) 15.375 2.358 ( -0.000 1.490 15.303) 15.375 2.786 ( -0.000 0.075 -1.459) 1.461 2.786 ( -0.000 0.075 1.459) 1.461 3.044 ( -0.000 0.095 -0.064) 0.114 3.044 ( -0.000 0.095 0.064) 0.114 3.276 ( 0.000 -0.038 -1.122) 1.123 3.276 ( 0.000 -0.038 1.122) 1.123 3.668 ( -0.000 0.286 -3.040) 3.054 3.668 ( -0.000 0.286 3.040) 3.054 3.866 ( -0.000 0.051 -0.799) 0.800 3.866 ( -0.000 0.051 0.799) 0.800 4.003 ( -0.000 0.067 -2.556) 2.557 4.003 ( -0.000 0.067 2.556) 2.557 4.283 ( 0.000 -1.509 -3.431) 3.748 4.283 ( 0.000 -1.509 3.431) 3.748 5.172 ( -0.000 0.258 -8.060) 8.064 5.172 ( -0.000 0.258 8.060) 8.064 5.702 ( -0.000 0.040 -0.351) 0.353 5.702 ( -0.000 0.040 0.351) 0.353 ======================= Grid point 466 (129/129) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -0.000 0.000 -2.735) 2.735 0.671 ( -0.000 0.000 2.735) 2.735 0.867 ( -0.000 0.000 -7.709) 7.709 0.867 ( -0.000 0.000 7.709) 7.709 1.104 ( -0.000 0.000 -4.714) 4.714 1.104 ( -0.000 0.000 4.714) 4.714 1.273 ( 0.000 -0.000 -1.898) 1.898 1.273 ( 0.000 -0.000 1.898) 1.898 1.441 ( -0.000 0.000 -6.545) 6.545 1.441 ( -0.000 0.000 6.545) 6.545 1.568 ( -0.000 0.000 -9.197) 9.197 1.568 ( -0.000 0.000 9.197) 9.197 1.648 ( -0.000 0.000 -3.286) 3.286 1.648 ( -0.000 0.000 3.286) 3.286 2.005 ( -0.000 0.000 -5.102) 5.102 2.005 ( -0.000 0.000 5.102) 5.102 2.366 ( -0.000 0.000 -15.278) 15.278 2.366 ( -0.000 0.000 15.278) 15.278 2.786 ( -0.000 0.000 -1.463) 1.463 2.786 ( -0.000 0.000 1.463) 1.463 3.044 ( -0.000 0.000 -0.059) 0.059 3.044 ( -0.000 0.000 0.059) 0.059 3.276 ( -0.000 0.000 -1.049) 1.049 3.276 ( -0.000 0.000 1.049) 1.049 3.669 ( -0.000 0.000 -3.091) 3.091 3.669 ( -0.000 0.000 3.091) 3.091 3.867 ( -0.000 0.000 -0.798) 0.798 3.867 ( -0.000 0.000 0.798) 0.798 4.004 ( -0.000 0.000 -2.742) 2.742 4.004 ( -0.000 0.000 2.742) 2.742 4.275 ( -0.000 0.000 -3.296) 3.296 4.275 ( -0.000 0.000 3.296) 3.296 5.173 ( -0.000 0.000 -7.995) 7.995 5.173 ( -0.000 0.000 7.995) 7.995 5.702 ( -0.000 0.000 -0.020) 0.020 5.702 ( -0.000 0.000 0.020) 0.020 =================== 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 3/20736 10.0 33.503 21.763 14.745 0.000 0.000 -0.000 3/20736 20.0 11.225 4.568 5.501 0.000 0.000 -0.000 3/20736 30.0 6.746 2.390 4.081 0.000 0.000 -0.000 3/20736 40.0 4.892 1.631 3.274 0.000 0.000 -0.000 3/20736 50.0 3.870 1.246 2.713 0.000 0.000 -0.000 3/20736 60.0 3.218 1.013 2.310 0.000 0.000 -0.000 3/20736 70.0 2.762 0.856 2.011 0.000 0.000 -0.000 3/20736 80.0 2.424 0.743 1.781 0.000 0.000 -0.000 3/20736 90.0 2.161 0.657 1.598 0.000 0.000 -0.000 3/20736 100.0 1.951 0.589 1.450 0.000 0.000 -0.000 3/20736 110.0 1.779 0.534 1.326 0.000 0.000 -0.000 3/20736 120.0 1.635 0.489 1.222 0.000 0.000 -0.000 3/20736 130.0 1.513 0.451 1.134 0.000 0.000 -0.000 3/20736 140.0 1.408 0.418 1.057 0.000 0.000 -0.000 3/20736 150.0 1.316 0.390 0.990 0.000 0.000 -0.000 3/20736 160.0 1.236 0.366 0.931 0.000 0.000 -0.000 3/20736 170.0 1.165 0.344 0.878 0.000 0.000 -0.000 3/20736 180.0 1.102 0.325 0.831 0.000 0.000 -0.000 3/20736 190.0 1.045 0.308 0.789 0.000 0.000 -0.000 3/20736 200.0 0.994 0.292 0.751 0.000 0.000 -0.000 3/20736 210.0 0.948 0.278 0.716 0.000 0.000 -0.000 3/20736 220.0 0.905 0.266 0.685 0.000 0.000 -0.000 3/20736 230.0 0.867 0.254 0.656 0.000 0.000 -0.000 3/20736 240.0 0.831 0.243 0.629 0.000 0.000 -0.000 3/20736 250.0 0.799 0.234 0.605 0.000 0.000 -0.000 3/20736 260.0 0.768 0.225 0.582 0.000 0.000 -0.000 3/20736 270.0 0.740 0.216 0.561 0.000 0.000 -0.000 3/20736 280.0 0.714 0.209 0.541 0.000 0.000 -0.000 3/20736 290.0 0.690 0.202 0.523 0.000 0.000 -0.000 3/20736 300.0 0.667 0.195 0.506 0.000 0.000 -0.000 3/20736 310.0 0.646 0.189 0.490 0.000 0.000 -0.000 3/20736 320.0 0.626 0.183 0.475 0.000 0.000 -0.000 3/20736 330.0 0.607 0.177 0.461 0.000 0.000 -0.000 3/20736 340.0 0.590 0.172 0.448 0.000 0.000 -0.000 3/20736 350.0 0.573 0.167 0.435 0.000 0.000 -0.000 3/20736 360.0 0.557 0.162 0.423 0.000 0.000 -0.000 3/20736 370.0 0.542 0.158 0.412 0.000 0.000 -0.000 3/20736 380.0 0.528 0.154 0.401 0.000 0.000 -0.000 3/20736 390.0 0.515 0.150 0.391 0.000 0.000 -0.000 3/20736 400.0 0.502 0.146 0.382 0.000 0.000 -0.000 3/20736 410.0 0.490 0.143 0.372 0.000 0.000 -0.000 3/20736 420.0 0.478 0.139 0.364 0.000 0.000 -0.000 3/20736 430.0 0.467 0.136 0.355 0.000 0.000 -0.000 3/20736 440.0 0.457 0.133 0.347 0.000 0.000 -0.000 3/20736 450.0 0.447 0.130 0.340 0.000 0.000 -0.000 3/20736 460.0 0.437 0.127 0.332 0.000 0.000 -0.000 3/20736 470.0 0.428 0.124 0.325 0.000 0.000 -0.000 3/20736 480.0 0.419 0.122 0.319 0.000 0.000 -0.000 3/20736 490.0 0.411 0.119 0.312 0.000 0.000 -0.000 3/20736 500.0 0.403 0.117 0.306 0.000 0.000 -0.000 3/20736 510.0 0.395 0.115 0.300 0.000 0.000 -0.000 3/20736 520.0 0.387 0.112 0.294 0.000 0.000 -0.000 3/20736 530.0 0.380 0.110 0.289 0.000 0.000 -0.000 3/20736 540.0 0.373 0.108 0.284 0.000 0.000 -0.000 3/20736 550.0 0.366 0.106 0.279 0.000 0.000 -0.000 3/20736 560.0 0.360 0.104 0.274 0.000 0.000 -0.000 3/20736 570.0 0.353 0.103 0.269 0.000 0.000 -0.000 3/20736 580.0 0.347 0.101 0.264 0.000 0.000 -0.000 3/20736 590.0 0.342 0.099 0.260 0.000 0.000 -0.000 3/20736 600.0 0.336 0.097 0.256 0.000 0.000 -0.000 3/20736 610.0 0.330 0.096 0.251 0.000 0.000 -0.000 3/20736 620.0 0.325 0.094 0.247 0.000 0.000 -0.000 3/20736 630.0 0.320 0.093 0.244 0.000 0.000 -0.000 3/20736 640.0 0.315 0.091 0.240 0.000 0.000 -0.000 3/20736 650.0 0.310 0.090 0.236 0.000 0.000 -0.000 3/20736 660.0 0.306 0.089 0.233 0.000 0.000 -0.000 3/20736 670.0 0.301 0.087 0.229 0.000 0.000 -0.000 3/20736 680.0 0.297 0.086 0.226 0.000 0.000 -0.000 3/20736 690.0 0.292 0.085 0.223 0.000 0.000 -0.000 3/20736 700.0 0.288 0.084 0.219 0.000 0.000 -0.000 3/20736 710.0 0.284 0.082 0.216 0.000 0.000 -0.000 3/20736 720.0 0.280 0.081 0.213 0.000 0.000 -0.000 3/20736 730.0 0.276 0.080 0.210 0.000 0.000 -0.000 3/20736 740.0 0.273 0.079 0.208 0.000 0.000 -0.000 3/20736 750.0 0.269 0.078 0.205 0.000 0.000 -0.000 3/20736 760.0 0.266 0.077 0.202 0.000 0.000 -0.000 3/20736 770.0 0.262 0.076 0.200 0.000 0.000 -0.000 3/20736 780.0 0.259 0.075 0.197 0.000 0.000 -0.000 3/20736 790.0 0.255 0.074 0.195 0.000 0.000 -0.000 3/20736 800.0 0.252 0.073 0.192 0.000 0.000 -0.000 3/20736 810.0 0.249 0.072 0.190 0.000 0.000 -0.000 3/20736 820.0 0.246 0.071 0.187 0.000 0.000 -0.000 3/20736 830.0 0.243 0.071 0.185 0.000 0.000 -0.000 3/20736 840.0 0.240 0.070 0.183 0.000 0.000 -0.000 3/20736 850.0 0.238 0.069 0.181 0.000 0.000 -0.000 3/20736 860.0 0.235 0.068 0.179 0.000 0.000 -0.000 3/20736 870.0 0.232 0.067 0.177 0.000 0.000 -0.000 3/20736 880.0 0.229 0.067 0.175 0.000 0.000 -0.000 3/20736 890.0 0.227 0.066 0.173 0.000 0.000 -0.000 3/20736 900.0 0.224 0.065 0.171 0.000 0.000 -0.000 3/20736 910.0 0.222 0.064 0.169 0.000 0.000 -0.000 3/20736 920.0 0.220 0.064 0.167 0.000 0.000 -0.000 3/20736 930.0 0.217 0.063 0.165 0.000 0.000 -0.000 3/20736 940.0 0.215 0.062 0.164 0.000 0.000 -0.000 3/20736 950.0 0.213 0.062 0.162 0.000 0.000 -0.000 3/20736 960.0 0.210 0.061 0.160 0.000 0.000 -0.000 3/20736 970.0 0.208 0.060 0.159 0.000 0.000 -0.000 3/20736 980.0 0.206 0.060 0.157 0.000 0.000 -0.000 3/20736 990.0 0.204 0.059 0.155 0.000 0.000 -0.000 3/20736 1000.0 0.202 0.059 0.154 0.000 0.000 -0.000 3/20736 Thermal conductivity related properties were written into "kappa-m12124.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:53:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|