----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:15:18]------------------------- 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: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 4.921472985000000 5.940364664999999 b 3.005175100000000 0.000000000000000 5.940364664999999 c 3.005175100000000 4.921472985000000 0.000000000000000 Atomic positions (fractional): *1 O 0.41469988747306 0.93686687601968 0.87530163161644 15.999 2 O 0.77313160489082 0.87530163161644 0.93686687601968 15.999 3 O 0.87530163161644 0.77313160489082 0.41469988747306 15.999 4 O 0.93686687601968 0.41469988747306 0.77313160489082 15.999 5 O 0.83530011252694 0.31313312398032 0.37469836838356 15.999 6 O 0.47686839510918 0.37469836838356 0.31313312398032 15.999 7 O 0.31313312398032 0.83530011252694 0.47686839510918 15.999 8 O 0.37469836838356 0.47686839510918 0.83530011252694 15.999 *9 Si 0.75000000000000 0.75000000000000 0.75000000000000 28.085 10 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 *11 Cd 0.43495012064599 0.06504987935401 0.43495012064599 112.411 12 Cd 0.06504987935401 0.43495012064599 0.06504987935401 112.411 13 Cd 0.81504987935401 0.18495012064599 0.81504987935401 112.411 14 Cd 0.18495012064599 0.81504987935401 0.18495012064599 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.010350200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.842945970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.880729329999998 Atomic positions (fractional): *1 O 0.90608425381806 0.14500075954475 0.17578338174637 15.999 > 1 2 O 0.90608425381806 0.35499924045525 0.32421661825363 15.999 > 2 3 O 0.59391574618194 0.14500075954475 0.32421661825363 15.999 > 3 4 O 0.59391574618194 0.35499924045525 0.17578338174637 15.999 > 4 5 O 0.34391574618194 0.10499924045525 0.07421661825363 15.999 > 5 6 O 0.84391574618194 0.89500075954475 0.42578338174637 15.999 > 6 7 O 0.65608425381806 0.89500075954475 0.07421661825363 15.999 > 7 8 O 0.15608425381806 0.10499924045525 0.42578338174637 15.999 > 8 9 O 0.90608425381806 0.64500075954475 0.67578338174637 15.999 > 1 10 O 0.90608425381806 0.85499924045525 0.82421661825363 15.999 > 2 11 O 0.59391574618194 0.64500075954475 0.82421661825363 15.999 > 3 12 O 0.59391574618194 0.85499924045525 0.67578338174637 15.999 > 4 13 O 0.34391574618194 0.60499924045525 0.57421661825363 15.999 > 5 14 O 0.84391574618194 0.39500075954475 0.92578338174637 15.999 > 6 15 O 0.65608425381806 0.39500075954475 0.57421661825363 15.999 > 7 16 O 0.15608425381806 0.60499924045525 0.92578338174637 15.999 > 8 17 O 0.40608425381806 0.14500075954475 0.67578338174637 15.999 > 1 18 O 0.40608425381806 0.35499924045525 0.82421661825363 15.999 > 2 19 O 0.09391574618194 0.14500075954475 0.82421661825363 15.999 > 3 20 O 0.09391574618194 0.35499924045525 0.67578338174637 15.999 > 4 21 O 0.84391574618194 0.10499924045525 0.57421661825363 15.999 > 5 22 O 0.34391574618194 0.89500075954475 0.92578338174637 15.999 > 6 23 O 0.15608425381806 0.89500075954475 0.57421661825363 15.999 > 7 24 O 0.65608425381806 0.10499924045525 0.92578338174637 15.999 > 8 25 O 0.40608425381806 0.64500075954475 0.17578338174637 15.999 > 1 26 O 0.40608425381806 0.85499924045525 0.32421661825363 15.999 > 2 27 O 0.09391574618194 0.64500075954475 0.32421661825363 15.999 > 3 28 O 0.09391574618194 0.85499924045525 0.17578338174637 15.999 > 4 29 O 0.84391574618194 0.60499924045525 0.07421661825363 15.999 > 5 30 O 0.34391574618194 0.39500075954475 0.42578338174637 15.999 > 6 31 O 0.15608425381806 0.39500075954475 0.07421661825363 15.999 > 7 32 O 0.65608425381806 0.60499924045525 0.42578338174637 15.999 > 8 *33 Si 0.75000000000000 0.25000000000000 0.25000000000000 28.085 > 9 34 Si 0.50000000000000 0.00000000000000 0.00000000000000 28.085 > 10 35 Si 0.75000000000000 0.75000000000000 0.75000000000000 28.085 > 9 36 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 10 37 Si 0.25000000000000 0.25000000000000 0.75000000000000 28.085 > 9 38 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 10 39 Si 0.25000000000000 0.75000000000000 0.25000000000000 28.085 > 9 40 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 > 10 *41 Cd 0.75000000000000 0.93495012064599 0.25000000000000 112.411 > 11 42 Cd 0.75000000000000 0.56504987935401 0.25000000000000 112.411 > 12 43 Cd 0.50000000000000 0.31504987935401 0.00000000000000 112.411 > 13 44 Cd 0.50000000000000 0.68495012064599 0.00000000000000 112.411 > 14 45 Cd 0.75000000000000 0.43495012064599 0.75000000000000 112.411 > 11 46 Cd 0.75000000000000 0.06504987935401 0.75000000000000 112.411 > 12 47 Cd 0.50000000000000 0.81504987935401 0.50000000000000 112.411 > 13 48 Cd 0.50000000000000 0.18495012064599 0.50000000000000 112.411 > 14 49 Cd 0.25000000000000 0.93495012064599 0.75000000000000 112.411 > 11 50 Cd 0.25000000000000 0.56504987935401 0.75000000000000 112.411 > 12 51 Cd 0.00000000000000 0.31504987935401 0.50000000000000 112.411 > 13 52 Cd 0.00000000000000 0.68495012064599 0.50000000000000 112.411 > 14 53 Cd 0.25000000000000 0.43495012064599 0.25000000000000 112.411 > 11 54 Cd 0.25000000000000 0.06504987935401 0.25000000000000 112.411 > 12 55 Cd 0.00000000000000 0.81504987935401 0.00000000000000 112.411 > 13 56 Cd 0.00000000000000 0.18495012064599 0.00000000000000 112.411 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.020700400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.842945970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.880729329999998 Atomic positions (fractional): *1 O 0.45304212690903 0.14500075954475 0.17578338174637 15.999 > 1 2 O 0.95304212690903 0.14500075954475 0.17578338174637 15.999 > 1 3 O 0.45304212690903 0.35499924045525 0.32421661825363 15.999 > 2 4 O 0.95304212690903 0.35499924045525 0.32421661825363 15.999 > 2 5 O 0.29695787309097 0.14500075954475 0.32421661825363 15.999 > 3 6 O 0.79695787309097 0.14500075954475 0.32421661825363 15.999 > 3 7 O 0.29695787309097 0.35499924045525 0.17578338174637 15.999 > 4 8 O 0.79695787309097 0.35499924045525 0.17578338174637 15.999 > 4 9 O 0.17195787309097 0.10499924045525 0.07421661825363 15.999 > 5 10 O 0.67195787309097 0.10499924045525 0.07421661825363 15.999 > 5 11 O 0.42195787309097 0.89500075954475 0.42578338174637 15.999 > 6 12 O 0.92195787309097 0.89500075954475 0.42578338174637 15.999 > 6 13 O 0.32804212690903 0.89500075954475 0.07421661825363 15.999 > 7 14 O 0.82804212690903 0.89500075954475 0.07421661825363 15.999 > 7 15 O 0.07804212690903 0.10499924045525 0.42578338174637 15.999 > 8 16 O 0.57804212690903 0.10499924045525 0.42578338174637 15.999 > 8 17 O 0.45304212690903 0.64500075954475 0.67578338174637 15.999 > 1 18 O 0.95304212690903 0.64500075954475 0.67578338174637 15.999 > 1 19 O 0.45304212690903 0.85499924045525 0.82421661825363 15.999 > 2 20 O 0.95304212690903 0.85499924045525 0.82421661825363 15.999 > 2 21 O 0.29695787309097 0.64500075954475 0.82421661825363 15.999 > 3 22 O 0.79695787309097 0.64500075954475 0.82421661825363 15.999 > 3 23 O 0.29695787309097 0.85499924045525 0.67578338174637 15.999 > 4 24 O 0.79695787309097 0.85499924045525 0.67578338174637 15.999 > 4 25 O 0.17195787309097 0.60499924045525 0.57421661825363 15.999 > 5 26 O 0.67195787309097 0.60499924045525 0.57421661825363 15.999 > 5 27 O 0.42195787309097 0.39500075954475 0.92578338174637 15.999 > 6 28 O 0.92195787309097 0.39500075954475 0.92578338174637 15.999 > 6 29 O 0.32804212690903 0.39500075954475 0.57421661825363 15.999 > 7 30 O 0.82804212690903 0.39500075954475 0.57421661825363 15.999 > 7 31 O 0.07804212690903 0.60499924045525 0.92578338174637 15.999 > 8 32 O 0.57804212690903 0.60499924045525 0.92578338174637 15.999 > 8 33 O 0.20304212690903 0.14500075954475 0.67578338174637 15.999 > 1 34 O 0.70304212690903 0.14500075954475 0.67578338174637 15.999 > 1 35 O 0.20304212690903 0.35499924045525 0.82421661825363 15.999 > 2 36 O 0.70304212690903 0.35499924045525 0.82421661825363 15.999 > 2 37 O 0.04695787309097 0.14500075954475 0.82421661825363 15.999 > 3 38 O 0.54695787309097 0.14500075954475 0.82421661825363 15.999 > 3 39 O 0.04695787309097 0.35499924045525 0.67578338174637 15.999 > 4 40 O 0.54695787309097 0.35499924045525 0.67578338174637 15.999 > 4 41 O 0.42195787309097 0.10499924045525 0.57421661825363 15.999 > 5 42 O 0.92195787309097 0.10499924045525 0.57421661825363 15.999 > 5 43 O 0.17195787309097 0.89500075954475 0.92578338174637 15.999 > 6 44 O 0.67195787309097 0.89500075954475 0.92578338174637 15.999 > 6 45 O 0.07804212690903 0.89500075954475 0.57421661825363 15.999 > 7 46 O 0.57804212690903 0.89500075954475 0.57421661825363 15.999 > 7 47 O 0.32804212690903 0.10499924045525 0.92578338174637 15.999 > 8 48 O 0.82804212690903 0.10499924045525 0.92578338174637 15.999 > 8 49 O 0.20304212690903 0.64500075954475 0.17578338174637 15.999 > 1 50 O 0.70304212690903 0.64500075954475 0.17578338174637 15.999 > 1 51 O 0.20304212690903 0.85499924045525 0.32421661825363 15.999 > 2 52 O 0.70304212690903 0.85499924045525 0.32421661825363 15.999 > 2 53 O 0.04695787309097 0.64500075954475 0.32421661825363 15.999 > 3 54 O 0.54695787309097 0.64500075954475 0.32421661825363 15.999 > 3 55 O 0.04695787309097 0.85499924045525 0.17578338174637 15.999 > 4 56 O 0.54695787309097 0.85499924045525 0.17578338174637 15.999 > 4 57 O 0.42195787309097 0.60499924045525 0.07421661825363 15.999 > 5 58 O 0.92195787309097 0.60499924045525 0.07421661825363 15.999 > 5 59 O 0.17195787309097 0.39500075954475 0.42578338174637 15.999 > 6 60 O 0.67195787309097 0.39500075954475 0.42578338174637 15.999 > 6 61 O 0.07804212690903 0.39500075954475 0.07421661825363 15.999 > 7 62 O 0.57804212690903 0.39500075954475 0.07421661825363 15.999 > 7 63 O 0.32804212690903 0.60499924045525 0.42578338174637 15.999 > 8 64 O 0.82804212690903 0.60499924045525 0.42578338174637 15.999 > 8 *65 Si 0.37500000000000 0.25000000000000 0.25000000000000 28.085 > 9 66 Si 0.87500000000000 0.25000000000000 0.25000000000000 28.085 > 9 67 Si 0.25000000000000 0.00000000000000 0.00000000000000 28.085 > 10 68 Si 0.75000000000000 0.00000000000000 0.00000000000000 28.085 > 10 69 Si 0.37500000000000 0.75000000000000 0.75000000000000 28.085 > 9 70 Si 0.87500000000000 0.75000000000000 0.75000000000000 28.085 > 9 71 Si 0.25000000000000 0.50000000000000 0.50000000000000 28.085 > 10 72 Si 0.75000000000000 0.50000000000000 0.50000000000000 28.085 > 10 73 Si 0.12500000000000 0.25000000000000 0.75000000000000 28.085 > 9 74 Si 0.62500000000000 0.25000000000000 0.75000000000000 28.085 > 9 75 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 10 76 Si 0.50000000000000 0.00000000000000 0.50000000000000 28.085 > 10 77 Si 0.12500000000000 0.75000000000000 0.25000000000000 28.085 > 9 78 Si 0.62500000000000 0.75000000000000 0.25000000000000 28.085 > 9 79 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 > 10 80 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 10 *81 Cd 0.37500000000000 0.93495012064599 0.25000000000000 112.411 > 11 82 Cd 0.87500000000000 0.93495012064599 0.25000000000000 112.411 > 11 83 Cd 0.37500000000000 0.56504987935401 0.25000000000000 112.411 > 12 84 Cd 0.87500000000000 0.56504987935401 0.25000000000000 112.411 > 12 85 Cd 0.25000000000000 0.31504987935401 0.00000000000000 112.411 > 13 86 Cd 0.75000000000000 0.31504987935401 0.00000000000000 112.411 > 13 87 Cd 0.25000000000000 0.68495012064599 0.00000000000000 112.411 > 14 88 Cd 0.75000000000000 0.68495012064599 0.00000000000000 112.411 > 14 89 Cd 0.37500000000000 0.43495012064599 0.75000000000000 112.411 > 11 90 Cd 0.87500000000000 0.43495012064599 0.75000000000000 112.411 > 11 91 Cd 0.37500000000000 0.06504987935401 0.75000000000000 112.411 > 12 92 Cd 0.87500000000000 0.06504987935401 0.75000000000000 112.411 > 12 93 Cd 0.25000000000000 0.81504987935401 0.50000000000000 112.411 > 13 94 Cd 0.75000000000000 0.81504987935401 0.50000000000000 112.411 > 13 95 Cd 0.25000000000000 0.18495012064599 0.50000000000000 112.411 > 14 96 Cd 0.75000000000000 0.18495012064599 0.50000000000000 112.411 > 14 97 Cd 0.12500000000000 0.93495012064599 0.75000000000000 112.411 > 11 98 Cd 0.62500000000000 0.93495012064599 0.75000000000000 112.411 > 11 99 Cd 0.12500000000000 0.56504987935401 0.75000000000000 112.411 > 12 100 Cd 0.62500000000000 0.56504987935401 0.75000000000000 112.411 > 12 101 Cd 0.00000000000000 0.31504987935401 0.50000000000000 112.411 > 13 102 Cd 0.50000000000000 0.31504987935401 0.50000000000000 112.411 > 13 103 Cd 0.00000000000000 0.68495012064599 0.50000000000000 112.411 > 14 104 Cd 0.50000000000000 0.68495012064599 0.50000000000000 112.411 > 14 105 Cd 0.12500000000000 0.43495012064599 0.25000000000000 112.411 > 11 106 Cd 0.62500000000000 0.43495012064599 0.25000000000000 112.411 > 11 107 Cd 0.12500000000000 0.06504987935401 0.25000000000000 112.411 > 12 108 Cd 0.62500000000000 0.06504987935401 0.25000000000000 112.411 > 12 109 Cd 0.00000000000000 0.81504987935401 0.00000000000000 112.411 > 13 110 Cd 0.50000000000000 0.81504987935401 0.00000000000000 112.411 > 13 111 Cd 0.00000000000000 0.18495012064599 0.00000000000000 112.411 > 14 112 Cd 0.50000000000000 0.18495012064599 0.00000000000000 112.411 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0467972 0.0000000 0.0000000 0.0000000 3.9250096 0.0000000 0.0000000 0.0000000 4.2246464 -------------------------- Born effective charges -------------------------- 1 O -1.9584171 0.3355103 0.3327424 0.3464949 -1.9533862 -0.0090007 0.3377760 -0.1642656 -1.9661109 2 O -1.9584171 -0.3355103 -0.3327424 -0.3464949 -1.9533862 -0.0090007 -0.3377760 -0.1642656 -1.9661109 3 O -1.9584171 -0.3355103 0.3327424 -0.3464949 -1.9533862 0.0090007 0.3377760 0.1642656 -1.9661109 4 O -1.9584171 0.3355103 -0.3327424 0.3464949 -1.9533862 0.0090007 -0.3377760 0.1642656 -1.9661109 5 O -1.9584171 0.3355103 0.3327424 0.3464949 -1.9533862 -0.0090007 0.3377760 -0.1642656 -1.9661109 6 O -1.9584171 -0.3355103 -0.3327424 -0.3464949 -1.9533862 -0.0090007 -0.3377760 -0.1642656 -1.9661109 7 O -1.9584171 0.3355103 -0.3327424 0.3464949 -1.9533862 0.0090007 -0.3377760 0.1642656 -1.9661109 8 O -1.9584171 -0.3355103 0.3327424 -0.3464949 -1.9533862 0.0090007 0.3377760 0.1642656 -1.9661109 9 Si 2.9383986 0.0000000 0.0000000 0.0000000 3.3455657 0.0000000 0.0000000 0.0000000 2.6632146 10 Si 2.9383986 0.0000000 0.0000000 0.0000000 3.3455657 0.0000000 0.0000000 0.0000000 2.6632146 11 Cd 2.4476349 0.0000000 -0.0922090 0.0000000 2.2339896 0.0000000 -0.0663616 0.0000000 2.6006144 12 Cd 2.4476349 0.0000000 0.0922090 0.0000000 2.2339896 0.0000000 0.0663616 0.0000000 2.6006144 13 Cd 2.4476349 0.0000000 -0.0922090 0.0000000 2.2339896 0.0000000 -0.0663616 0.0000000 2.6006144 14 Cd 2.4476349 0.0000000 0.0922090 0.0000000 2.2339896 0.0000000 0.0663616 0.0000000 2.6006144 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 9366/9366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 972 Number of blocks in projector: 972 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: 202 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (972, 955), data: False |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (186, 184), data: True |-- (188, 186), data: True |-- (202, 198), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.045 Solver_block: 200 / 240 - Time: 1.008 Solver_block: 240 / 240 - Time: 0.477 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.549 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 9366/9366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 972 Number of blocks in projector: 972 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: 202 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (972, 955), data: False |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (186, 184), data: True |-- (188, 186), data: True |-- (202, 198), 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 2026-01-07 20:15:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:15:34]------------------------- 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): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 4.921472985000000 5.940364664999999 b 3.005175100000000 0.000000000000000 5.940364664999999 c 3.005175100000000 4.921472985000000 0.000000000000000 Atomic positions (fractional): 1 O 0.41469988747306 0.93686687601968 0.87530163161644 15.999 2 O 0.77313160489082 0.87530163161644 0.93686687601968 15.999 3 O 0.87530163161644 0.77313160489082 0.41469988747306 15.999 4 O 0.93686687601968 0.41469988747306 0.77313160489082 15.999 5 O 0.83530011252694 0.31313312398032 0.37469836838356 15.999 6 O 0.47686839510918 0.37469836838356 0.31313312398032 15.999 7 O 0.31313312398032 0.83530011252694 0.47686839510918 15.999 8 O 0.37469836838356 0.47686839510918 0.83530011252694 15.999 9 Si 0.75000000000000 0.75000000000000 0.75000000000000 28.085 10 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 11 Cd 0.43495012064599 0.06504987935401 0.43495012064599 112.411 12 Cd 0.06504987935401 0.43495012064599 0.06504987935401 112.411 13 Cd 0.81504987935401 0.18495012064599 0.81504987935401 112.411 14 Cd 0.18495012064599 0.81504987935401 0.18495012064599 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.020700400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.842945970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.880729329999998 Atomic positions (fractional): 1 O 0.45304212690903 0.14500075954475 0.17578338174637 15.999 > 1 2 O 0.95304212690903 0.14500075954475 0.17578338174637 15.999 > 1 3 O 0.45304212690903 0.35499924045525 0.32421661825363 15.999 > 3 4 O 0.95304212690903 0.35499924045525 0.32421661825363 15.999 > 3 5 O 0.29695787309097 0.14500075954475 0.32421661825363 15.999 > 5 6 O 0.79695787309097 0.14500075954475 0.32421661825363 15.999 > 5 7 O 0.29695787309097 0.35499924045525 0.17578338174637 15.999 > 7 8 O 0.79695787309097 0.35499924045525 0.17578338174637 15.999 > 7 9 O 0.17195787309097 0.10499924045525 0.07421661825363 15.999 > 9 10 O 0.67195787309097 0.10499924045525 0.07421661825363 15.999 > 9 11 O 0.42195787309097 0.89500075954475 0.42578338174637 15.999 > 11 12 O 0.92195787309097 0.89500075954475 0.42578338174637 15.999 > 11 13 O 0.32804212690903 0.89500075954475 0.07421661825363 15.999 > 13 14 O 0.82804212690903 0.89500075954475 0.07421661825363 15.999 > 13 15 O 0.07804212690903 0.10499924045525 0.42578338174637 15.999 > 15 16 O 0.57804212690903 0.10499924045525 0.42578338174637 15.999 > 15 17 O 0.45304212690903 0.64500075954475 0.67578338174637 15.999 > 1 18 O 0.95304212690903 0.64500075954475 0.67578338174637 15.999 > 1 19 O 0.45304212690903 0.85499924045525 0.82421661825363 15.999 > 3 20 O 0.95304212690903 0.85499924045525 0.82421661825363 15.999 > 3 21 O 0.29695787309097 0.64500075954475 0.82421661825363 15.999 > 5 22 O 0.79695787309097 0.64500075954475 0.82421661825363 15.999 > 5 23 O 0.29695787309097 0.85499924045525 0.67578338174637 15.999 > 7 24 O 0.79695787309097 0.85499924045525 0.67578338174637 15.999 > 7 25 O 0.17195787309097 0.60499924045525 0.57421661825363 15.999 > 9 26 O 0.67195787309097 0.60499924045525 0.57421661825363 15.999 > 9 27 O 0.42195787309097 0.39500075954475 0.92578338174637 15.999 > 11 28 O 0.92195787309097 0.39500075954475 0.92578338174637 15.999 > 11 29 O 0.32804212690903 0.39500075954475 0.57421661825363 15.999 > 13 30 O 0.82804212690903 0.39500075954475 0.57421661825363 15.999 > 13 31 O 0.07804212690903 0.60499924045525 0.92578338174637 15.999 > 15 32 O 0.57804212690903 0.60499924045525 0.92578338174637 15.999 > 15 33 O 0.20304212690903 0.14500075954475 0.67578338174637 15.999 > 1 34 O 0.70304212690903 0.14500075954475 0.67578338174637 15.999 > 1 35 O 0.20304212690903 0.35499924045525 0.82421661825363 15.999 > 3 36 O 0.70304212690903 0.35499924045525 0.82421661825363 15.999 > 3 37 O 0.04695787309097 0.14500075954475 0.82421661825363 15.999 > 5 38 O 0.54695787309097 0.14500075954475 0.82421661825363 15.999 > 5 39 O 0.04695787309097 0.35499924045525 0.67578338174637 15.999 > 7 40 O 0.54695787309097 0.35499924045525 0.67578338174637 15.999 > 7 41 O 0.42195787309097 0.10499924045525 0.57421661825363 15.999 > 9 42 O 0.92195787309097 0.10499924045525 0.57421661825363 15.999 > 9 43 O 0.17195787309097 0.89500075954475 0.92578338174637 15.999 > 11 44 O 0.67195787309097 0.89500075954475 0.92578338174637 15.999 > 11 45 O 0.07804212690903 0.89500075954475 0.57421661825363 15.999 > 13 46 O 0.57804212690903 0.89500075954475 0.57421661825363 15.999 > 13 47 O 0.32804212690903 0.10499924045525 0.92578338174637 15.999 > 15 48 O 0.82804212690903 0.10499924045525 0.92578338174637 15.999 > 15 49 O 0.20304212690903 0.64500075954475 0.17578338174637 15.999 > 1 50 O 0.70304212690903 0.64500075954475 0.17578338174637 15.999 > 1 51 O 0.20304212690903 0.85499924045525 0.32421661825363 15.999 > 3 52 O 0.70304212690903 0.85499924045525 0.32421661825363 15.999 > 3 53 O 0.04695787309097 0.64500075954475 0.32421661825363 15.999 > 5 54 O 0.54695787309097 0.64500075954475 0.32421661825363 15.999 > 5 55 O 0.04695787309097 0.85499924045525 0.17578338174637 15.999 > 7 56 O 0.54695787309097 0.85499924045525 0.17578338174637 15.999 > 7 57 O 0.42195787309097 0.60499924045525 0.07421661825363 15.999 > 9 58 O 0.92195787309097 0.60499924045525 0.07421661825363 15.999 > 9 59 O 0.17195787309097 0.39500075954475 0.42578338174637 15.999 > 11 60 O 0.67195787309097 0.39500075954475 0.42578338174637 15.999 > 11 61 O 0.07804212690903 0.39500075954475 0.07421661825363 15.999 > 13 62 O 0.57804212690903 0.39500075954475 0.07421661825363 15.999 > 13 63 O 0.32804212690903 0.60499924045525 0.42578338174637 15.999 > 15 64 O 0.82804212690903 0.60499924045525 0.42578338174637 15.999 > 15 65 Si 0.37500000000000 0.25000000000000 0.25000000000000 28.085 > 65 66 Si 0.87500000000000 0.25000000000000 0.25000000000000 28.085 > 65 67 Si 0.25000000000000 0.00000000000000 0.00000000000000 28.085 > 67 68 Si 0.75000000000000 0.00000000000000 0.00000000000000 28.085 > 67 69 Si 0.37500000000000 0.75000000000000 0.75000000000000 28.085 > 65 70 Si 0.87500000000000 0.75000000000000 0.75000000000000 28.085 > 65 71 Si 0.25000000000000 0.50000000000000 0.50000000000000 28.085 > 67 72 Si 0.75000000000000 0.50000000000000 0.50000000000000 28.085 > 67 73 Si 0.12500000000000 0.25000000000000 0.75000000000000 28.085 > 65 74 Si 0.62500000000000 0.25000000000000 0.75000000000000 28.085 > 65 75 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 67 76 Si 0.50000000000000 0.00000000000000 0.50000000000000 28.085 > 67 77 Si 0.12500000000000 0.75000000000000 0.25000000000000 28.085 > 65 78 Si 0.62500000000000 0.75000000000000 0.25000000000000 28.085 > 65 79 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 > 67 80 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 67 81 Cd 0.37500000000000 0.93495012064599 0.25000000000000 112.411 > 81 82 Cd 0.87500000000000 0.93495012064599 0.25000000000000 112.411 > 81 83 Cd 0.37500000000000 0.56504987935401 0.25000000000000 112.411 > 83 84 Cd 0.87500000000000 0.56504987935401 0.25000000000000 112.411 > 83 85 Cd 0.25000000000000 0.31504987935401 0.00000000000000 112.411 > 85 86 Cd 0.75000000000000 0.31504987935401 0.00000000000000 112.411 > 85 87 Cd 0.25000000000000 0.68495012064599 0.00000000000000 112.411 > 87 88 Cd 0.75000000000000 0.68495012064599 0.00000000000000 112.411 > 87 89 Cd 0.37500000000000 0.43495012064599 0.75000000000000 112.411 > 81 90 Cd 0.87500000000000 0.43495012064599 0.75000000000000 112.411 > 81 91 Cd 0.37500000000000 0.06504987935401 0.75000000000000 112.411 > 83 92 Cd 0.87500000000000 0.06504987935401 0.75000000000000 112.411 > 83 93 Cd 0.25000000000000 0.81504987935401 0.50000000000000 112.411 > 85 94 Cd 0.75000000000000 0.81504987935401 0.50000000000000 112.411 > 85 95 Cd 0.25000000000000 0.18495012064599 0.50000000000000 112.411 > 87 96 Cd 0.75000000000000 0.18495012064599 0.50000000000000 112.411 > 87 97 Cd 0.12500000000000 0.93495012064599 0.75000000000000 112.411 > 81 98 Cd 0.62500000000000 0.93495012064599 0.75000000000000 112.411 > 81 99 Cd 0.12500000000000 0.56504987935401 0.75000000000000 112.411 > 83 100 Cd 0.62500000000000 0.56504987935401 0.75000000000000 112.411 > 83 101 Cd 0.00000000000000 0.31504987935401 0.50000000000000 112.411 > 85 102 Cd 0.50000000000000 0.31504987935401 0.50000000000000 112.411 > 85 103 Cd 0.00000000000000 0.68495012064599 0.50000000000000 112.411 > 87 104 Cd 0.50000000000000 0.68495012064599 0.50000000000000 112.411 > 87 105 Cd 0.12500000000000 0.43495012064599 0.25000000000000 112.411 > 81 106 Cd 0.62500000000000 0.43495012064599 0.25000000000000 112.411 > 81 107 Cd 0.12500000000000 0.06504987935401 0.25000000000000 112.411 > 83 108 Cd 0.62500000000000 0.06504987935401 0.25000000000000 112.411 > 83 109 Cd 0.00000000000000 0.81504987935401 0.00000000000000 112.411 > 85 110 Cd 0.50000000000000 0.81504987935401 0.00000000000000 112.411 > 85 111 Cd 0.00000000000000 0.18495012064599 0.00000000000000 112.411 > 87 112 Cd 0.50000000000000 0.18495012064599 0.00000000000000 112.411 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0467972 0.0000000 0.0000000 0.0000000 3.9250096 0.0000000 0.0000000 0.0000000 4.2246464 -------------------------- Born effective charges -------------------------- 1 O -1.9584171 0.3355103 0.3327424 0.3464949 -1.9533862 -0.0090007 0.3377760 -0.1642656 -1.9661109 2 O -1.9584171 -0.3355103 -0.3327424 -0.3464949 -1.9533862 -0.0090007 -0.3377760 -0.1642656 -1.9661109 3 O -1.9584171 -0.3355103 0.3327424 -0.3464949 -1.9533862 0.0090007 0.3377760 0.1642656 -1.9661109 4 O -1.9584171 0.3355103 -0.3327424 0.3464949 -1.9533862 0.0090007 -0.3377760 0.1642656 -1.9661109 5 O -1.9584171 0.3355103 0.3327424 0.3464949 -1.9533862 -0.0090007 0.3377760 -0.1642656 -1.9661109 6 O -1.9584171 -0.3355103 -0.3327424 -0.3464949 -1.9533862 -0.0090007 -0.3377760 -0.1642656 -1.9661109 7 O -1.9584171 0.3355103 -0.3327424 0.3464949 -1.9533862 0.0090007 -0.3377760 0.1642656 -1.9661109 8 O -1.9584171 -0.3355103 0.3327424 -0.3464949 -1.9533862 0.0090007 0.3377760 0.1642656 -1.9661109 9 Si 2.9383986 0.0000000 0.0000000 0.0000000 3.3455657 0.0000000 0.0000000 0.0000000 2.6632146 10 Si 2.9383986 0.0000000 0.0000000 0.0000000 3.3455657 0.0000000 0.0000000 0.0000000 2.6632146 11 Cd 2.4476349 0.0000000 -0.0922090 0.0000000 2.2339896 0.0000000 -0.0663616 0.0000000 2.6006144 12 Cd 2.4476349 0.0000000 0.0922090 0.0000000 2.2339896 0.0000000 0.0663616 0.0000000 2.6006144 13 Cd 2.4476349 0.0000000 -0.0922090 0.0000000 2.2339896 0.0000000 -0.0663616 0.0000000 2.6006144 14 Cd 2.4476349 0.0000000 0.0922090 0.0000000 2.2339896 0.0000000 0.0663616 0.0000000 2.6006144 ---------------------------------------------------------------------------- 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[ 65, 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[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:15:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:15:46]------------------------- 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): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 4.921472985000000 5.940364664999999 b 3.005175100000000 0.000000000000000 5.940364664999999 c 3.005175100000000 4.921472985000000 0.000000000000000 Atomic positions (fractional): 1 O 0.41469988747306 0.93686687601968 0.87530163161644 15.999 2 O 0.77313160489082 0.87530163161644 0.93686687601968 15.999 3 O 0.87530163161644 0.77313160489082 0.41469988747306 15.999 4 O 0.93686687601968 0.41469988747306 0.77313160489082 15.999 5 O 0.83530011252694 0.31313312398032 0.37469836838356 15.999 6 O 0.47686839510918 0.37469836838356 0.31313312398032 15.999 7 O 0.31313312398032 0.83530011252694 0.47686839510918 15.999 8 O 0.37469836838356 0.47686839510918 0.83530011252694 15.999 9 Si 0.75000000000000 0.75000000000000 0.75000000000000 28.085 10 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 11 Cd 0.43495012064599 0.06504987935401 0.43495012064599 112.411 12 Cd 0.06504987935401 0.43495012064599 0.06504987935401 112.411 13 Cd 0.81504987935401 0.18495012064599 0.81504987935401 112.411 14 Cd 0.18495012064599 0.81504987935401 0.18495012064599 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.020700400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.842945970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.880729329999998 Atomic positions (fractional): 1 O 0.45304212690903 0.14500075954475 0.17578338174637 15.999 > 1 2 O 0.95304212690903 0.14500075954475 0.17578338174637 15.999 > 1 3 O 0.45304212690903 0.35499924045525 0.32421661825363 15.999 > 3 4 O 0.95304212690903 0.35499924045525 0.32421661825363 15.999 > 3 5 O 0.29695787309097 0.14500075954475 0.32421661825363 15.999 > 5 6 O 0.79695787309097 0.14500075954475 0.32421661825363 15.999 > 5 7 O 0.29695787309097 0.35499924045525 0.17578338174637 15.999 > 7 8 O 0.79695787309097 0.35499924045525 0.17578338174637 15.999 > 7 9 O 0.17195787309097 0.10499924045525 0.07421661825363 15.999 > 9 10 O 0.67195787309097 0.10499924045525 0.07421661825363 15.999 > 9 11 O 0.42195787309097 0.89500075954475 0.42578338174637 15.999 > 11 12 O 0.92195787309097 0.89500075954475 0.42578338174637 15.999 > 11 13 O 0.32804212690903 0.89500075954475 0.07421661825363 15.999 > 13 14 O 0.82804212690903 0.89500075954475 0.07421661825363 15.999 > 13 15 O 0.07804212690903 0.10499924045525 0.42578338174637 15.999 > 15 16 O 0.57804212690903 0.10499924045525 0.42578338174637 15.999 > 15 17 O 0.45304212690903 0.64500075954475 0.67578338174637 15.999 > 1 18 O 0.95304212690903 0.64500075954475 0.67578338174637 15.999 > 1 19 O 0.45304212690903 0.85499924045525 0.82421661825363 15.999 > 3 20 O 0.95304212690903 0.85499924045525 0.82421661825363 15.999 > 3 21 O 0.29695787309097 0.64500075954475 0.82421661825363 15.999 > 5 22 O 0.79695787309097 0.64500075954475 0.82421661825363 15.999 > 5 23 O 0.29695787309097 0.85499924045525 0.67578338174637 15.999 > 7 24 O 0.79695787309097 0.85499924045525 0.67578338174637 15.999 > 7 25 O 0.17195787309097 0.60499924045525 0.57421661825363 15.999 > 9 26 O 0.67195787309097 0.60499924045525 0.57421661825363 15.999 > 9 27 O 0.42195787309097 0.39500075954475 0.92578338174637 15.999 > 11 28 O 0.92195787309097 0.39500075954475 0.92578338174637 15.999 > 11 29 O 0.32804212690903 0.39500075954475 0.57421661825363 15.999 > 13 30 O 0.82804212690903 0.39500075954475 0.57421661825363 15.999 > 13 31 O 0.07804212690903 0.60499924045525 0.92578338174637 15.999 > 15 32 O 0.57804212690903 0.60499924045525 0.92578338174637 15.999 > 15 33 O 0.20304212690903 0.14500075954475 0.67578338174637 15.999 > 1 34 O 0.70304212690903 0.14500075954475 0.67578338174637 15.999 > 1 35 O 0.20304212690903 0.35499924045525 0.82421661825363 15.999 > 3 36 O 0.70304212690903 0.35499924045525 0.82421661825363 15.999 > 3 37 O 0.04695787309097 0.14500075954475 0.82421661825363 15.999 > 5 38 O 0.54695787309097 0.14500075954475 0.82421661825363 15.999 > 5 39 O 0.04695787309097 0.35499924045525 0.67578338174637 15.999 > 7 40 O 0.54695787309097 0.35499924045525 0.67578338174637 15.999 > 7 41 O 0.42195787309097 0.10499924045525 0.57421661825363 15.999 > 9 42 O 0.92195787309097 0.10499924045525 0.57421661825363 15.999 > 9 43 O 0.17195787309097 0.89500075954475 0.92578338174637 15.999 > 11 44 O 0.67195787309097 0.89500075954475 0.92578338174637 15.999 > 11 45 O 0.07804212690903 0.89500075954475 0.57421661825363 15.999 > 13 46 O 0.57804212690903 0.89500075954475 0.57421661825363 15.999 > 13 47 O 0.32804212690903 0.10499924045525 0.92578338174637 15.999 > 15 48 O 0.82804212690903 0.10499924045525 0.92578338174637 15.999 > 15 49 O 0.20304212690903 0.64500075954475 0.17578338174637 15.999 > 1 50 O 0.70304212690903 0.64500075954475 0.17578338174637 15.999 > 1 51 O 0.20304212690903 0.85499924045525 0.32421661825363 15.999 > 3 52 O 0.70304212690903 0.85499924045525 0.32421661825363 15.999 > 3 53 O 0.04695787309097 0.64500075954475 0.32421661825363 15.999 > 5 54 O 0.54695787309097 0.64500075954475 0.32421661825363 15.999 > 5 55 O 0.04695787309097 0.85499924045525 0.17578338174637 15.999 > 7 56 O 0.54695787309097 0.85499924045525 0.17578338174637 15.999 > 7 57 O 0.42195787309097 0.60499924045525 0.07421661825363 15.999 > 9 58 O 0.92195787309097 0.60499924045525 0.07421661825363 15.999 > 9 59 O 0.17195787309097 0.39500075954475 0.42578338174637 15.999 > 11 60 O 0.67195787309097 0.39500075954475 0.42578338174637 15.999 > 11 61 O 0.07804212690903 0.39500075954475 0.07421661825363 15.999 > 13 62 O 0.57804212690903 0.39500075954475 0.07421661825363 15.999 > 13 63 O 0.32804212690903 0.60499924045525 0.42578338174637 15.999 > 15 64 O 0.82804212690903 0.60499924045525 0.42578338174637 15.999 > 15 65 Si 0.37500000000000 0.25000000000000 0.25000000000000 28.085 > 65 66 Si 0.87500000000000 0.25000000000000 0.25000000000000 28.085 > 65 67 Si 0.25000000000000 0.00000000000000 0.00000000000000 28.085 > 67 68 Si 0.75000000000000 0.00000000000000 0.00000000000000 28.085 > 67 69 Si 0.37500000000000 0.75000000000000 0.75000000000000 28.085 > 65 70 Si 0.87500000000000 0.75000000000000 0.75000000000000 28.085 > 65 71 Si 0.25000000000000 0.50000000000000 0.50000000000000 28.085 > 67 72 Si 0.75000000000000 0.50000000000000 0.50000000000000 28.085 > 67 73 Si 0.12500000000000 0.25000000000000 0.75000000000000 28.085 > 65 74 Si 0.62500000000000 0.25000000000000 0.75000000000000 28.085 > 65 75 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 67 76 Si 0.50000000000000 0.00000000000000 0.50000000000000 28.085 > 67 77 Si 0.12500000000000 0.75000000000000 0.25000000000000 28.085 > 65 78 Si 0.62500000000000 0.75000000000000 0.25000000000000 28.085 > 65 79 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 > 67 80 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 67 81 Cd 0.37500000000000 0.93495012064599 0.25000000000000 112.411 > 81 82 Cd 0.87500000000000 0.93495012064599 0.25000000000000 112.411 > 81 83 Cd 0.37500000000000 0.56504987935401 0.25000000000000 112.411 > 83 84 Cd 0.87500000000000 0.56504987935401 0.25000000000000 112.411 > 83 85 Cd 0.25000000000000 0.31504987935401 0.00000000000000 112.411 > 85 86 Cd 0.75000000000000 0.31504987935401 0.00000000000000 112.411 > 85 87 Cd 0.25000000000000 0.68495012064599 0.00000000000000 112.411 > 87 88 Cd 0.75000000000000 0.68495012064599 0.00000000000000 112.411 > 87 89 Cd 0.37500000000000 0.43495012064599 0.75000000000000 112.411 > 81 90 Cd 0.87500000000000 0.43495012064599 0.75000000000000 112.411 > 81 91 Cd 0.37500000000000 0.06504987935401 0.75000000000000 112.411 > 83 92 Cd 0.87500000000000 0.06504987935401 0.75000000000000 112.411 > 83 93 Cd 0.25000000000000 0.81504987935401 0.50000000000000 112.411 > 85 94 Cd 0.75000000000000 0.81504987935401 0.50000000000000 112.411 > 85 95 Cd 0.25000000000000 0.18495012064599 0.50000000000000 112.411 > 87 96 Cd 0.75000000000000 0.18495012064599 0.50000000000000 112.411 > 87 97 Cd 0.12500000000000 0.93495012064599 0.75000000000000 112.411 > 81 98 Cd 0.62500000000000 0.93495012064599 0.75000000000000 112.411 > 81 99 Cd 0.12500000000000 0.56504987935401 0.75000000000000 112.411 > 83 100 Cd 0.62500000000000 0.56504987935401 0.75000000000000 112.411 > 83 101 Cd 0.00000000000000 0.31504987935401 0.50000000000000 112.411 > 85 102 Cd 0.50000000000000 0.31504987935401 0.50000000000000 112.411 > 85 103 Cd 0.00000000000000 0.68495012064599 0.50000000000000 112.411 > 87 104 Cd 0.50000000000000 0.68495012064599 0.50000000000000 112.411 > 87 105 Cd 0.12500000000000 0.43495012064599 0.25000000000000 112.411 > 81 106 Cd 0.62500000000000 0.43495012064599 0.25000000000000 112.411 > 81 107 Cd 0.12500000000000 0.06504987935401 0.25000000000000 112.411 > 83 108 Cd 0.62500000000000 0.06504987935401 0.25000000000000 112.411 > 83 109 Cd 0.00000000000000 0.81504987935401 0.00000000000000 112.411 > 85 110 Cd 0.50000000000000 0.81504987935401 0.00000000000000 112.411 > 85 111 Cd 0.00000000000000 0.18495012064599 0.00000000000000 112.411 > 87 112 Cd 0.50000000000000 0.18495012064599 0.00000000000000 112.411 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0467972 0.0000000 0.0000000 0.0000000 3.9250096 0.0000000 0.0000000 0.0000000 4.2246464 -------------------------- Born effective charges -------------------------- 1 O -1.9584171 0.3355103 0.3327424 0.3464949 -1.9533862 -0.0090007 0.3377760 -0.1642656 -1.9661109 2 O -1.9584171 -0.3355103 -0.3327424 -0.3464949 -1.9533862 -0.0090007 -0.3377760 -0.1642656 -1.9661109 3 O -1.9584171 -0.3355103 0.3327424 -0.3464949 -1.9533862 0.0090007 0.3377760 0.1642656 -1.9661109 4 O -1.9584171 0.3355103 -0.3327424 0.3464949 -1.9533862 0.0090007 -0.3377760 0.1642656 -1.9661109 5 O -1.9584171 0.3355103 0.3327424 0.3464949 -1.9533862 -0.0090007 0.3377760 -0.1642656 -1.9661109 6 O -1.9584171 -0.3355103 -0.3327424 -0.3464949 -1.9533862 -0.0090007 -0.3377760 -0.1642656 -1.9661109 7 O -1.9584171 0.3355103 -0.3327424 0.3464949 -1.9533862 0.0090007 -0.3377760 0.1642656 -1.9661109 8 O -1.9584171 -0.3355103 0.3327424 -0.3464949 -1.9533862 0.0090007 0.3377760 0.1642656 -1.9661109 9 Si 2.9383986 0.0000000 0.0000000 0.0000000 3.3455657 0.0000000 0.0000000 0.0000000 2.6632146 10 Si 2.9383986 0.0000000 0.0000000 0.0000000 3.3455657 0.0000000 0.0000000 0.0000000 2.6632146 11 Cd 2.4476349 0.0000000 -0.0922090 0.0000000 2.2339896 0.0000000 -0.0663616 0.0000000 2.6006144 12 Cd 2.4476349 0.0000000 0.0922090 0.0000000 2.2339896 0.0000000 0.0663616 0.0000000 2.6006144 13 Cd 2.4476349 0.0000000 -0.0922090 0.0000000 2.2339896 0.0000000 -0.0663616 0.0000000 2.6006144 14 Cd 2.4476349 0.0000000 0.0922090 0.0000000 2.2339896 0.0000000 0.0663616 0.0000000 2.6006144 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (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 ... [ 11 11 11 ] 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: 0.74, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/216) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 -0.000) 0.000 2.311 ( 0.000 0.000 -0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 -0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 -0.000) 0.000 3.786 ( 0.000 0.000 -0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 -0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.872 ( 0.000 0.000 0.000) 0.000 7.163 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.542 ( 0.000 0.000 0.000) 0.000 9.032 ( 0.000 0.000 -0.000) 0.000 9.468 ( 0.000 0.000 -0.000) 0.000 9.960 ( 0.000 0.000 0.000) 0.000 10.363 ( 0.000 0.000 -0.000) 0.000 10.744 ( 0.000 0.000 0.000) 0.000 11.579 ( 0.000 0.000 0.000) 0.000 13.168 ( 0.000 0.000 0.000) 0.000 13.655 ( 0.000 0.000 0.000) 0.000 13.773 ( 0.000 0.000 0.000) 0.000 14.477 ( 0.000 0.000 -0.000) 0.000 14.711 ( 0.000 0.000 0.000) 0.000 15.045 ( 0.000 0.000 0.000) 0.000 15.988 ( 0.000 0.000 0.000) 0.000 24.055 ( 0.000 0.000 0.000) 0.000 24.626 ( 0.000 0.000 -0.000) 0.000 24.959 ( 0.000 0.000 0.000) 0.000 25.445 ( 0.000 0.000 0.000) 0.000 25.504 ( 0.000 0.000 0.000) 0.000 26.138 ( 0.000 0.000 -0.000) 0.000 26.324 ( 0.000 0.000 0.000) 0.000 27.429 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/216) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -22.230 9.455 13.532) 27.689 0.549 ( -19.125 20.857 7.270) 29.218 1.051 ( -42.273 15.419 30.438) 54.325 2.174 ( -8.023 0.316 0.288) 8.034 2.331 ( -2.223 6.854 -6.049) 9.408 2.689 ( -8.094 -2.552 7.785) 11.517 3.035 ( -0.201 -6.865 0.069) 6.868 3.107 ( 3.335 -0.811 4.814) 5.912 3.265 ( 5.440 -2.168 0.680) 5.895 3.773 ( 3.847 -6.253 1.468) 7.488 3.882 ( -3.523 4.225 -1.421) 5.682 4.573 ( 0.426 4.096 2.396) 4.764 4.722 ( 2.783 -1.435 0.304) 3.146 4.876 ( -9.965 2.002 1.554) 10.283 5.257 ( 0.062 7.181 4.031) 8.235 6.277 ( -4.840 -0.812 -15.966) 16.704 6.812 ( 7.456 2.776 -4.505) 9.143 7.166 ( -4.390 0.613 -9.344) 10.342 7.374 ( -24.949 -7.549 -49.279) 55.748 8.408 ( 0.351 -8.870 0.178) 8.879 8.623 ( -6.549 5.758 -25.155) 26.624 9.137 ( -3.931 12.475 -2.790) 13.374 9.702 ( 13.213 -9.082 30.063) 34.071 9.904 ( 3.222 -0.514 -6.746) 7.493 10.323 ( 2.219 -0.239 -4.400) 4.934 10.738 ( 0.483 -0.009 -1.004) 1.115 11.637 ( -3.401 0.859 7.111) 7.929 13.335 ( -11.961 -5.830 -20.098) 24.104 13.767 ( -0.193 -1.502 -0.019) 1.514 13.954 ( 4.705 -29.337 45.093) 54.002 14.416 ( 1.867 -5.767 -4.105) 7.321 14.726 ( 0.123 0.188 3.078) 3.087 15.496 ( 27.782 55.871 -3.460) 62.493 16.015 ( 0.081 3.338 2.979) 4.475 24.071 ( -1.358 0.014 1.270) 1.859 24.593 ( 3.057 -1.169 -0.957) 3.410 25.051 ( 1.661 -3.378 12.670) 13.218 25.493 ( 2.970 2.595 -1.274) 4.144 25.860 ( 2.713 -13.047 4.499) 14.065 26.345 ( -16.305 -25.002 3.148) 30.014 27.395 ( 4.634 1.832 -1.731) 5.275 27.827 ( 1.408 33.826 -23.225) 41.056 ======================= Grid point 2 (3/216) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -18.112 11.837 10.847) 24.203 1.067 ( -18.389 16.409 8.748) 26.152 1.981 ( -33.947 10.721 25.931) 44.042 2.302 ( -7.939 1.401 -2.535) 8.451 2.429 ( -5.665 7.914 -3.296) 10.275 2.817 ( 0.494 -0.937 6.177) 6.268 2.995 ( -6.188 -8.871 -0.431) 10.824 3.075 ( 5.449 -0.507 6.753) 8.692 3.169 ( 5.098 -1.667 3.197) 6.244 3.678 ( 3.524 -3.893 8.992) 10.413 4.007 ( -10.232 1.988 -4.662) 11.418 4.606 ( 4.576 2.268 2.003) 5.486 4.704 ( -1.308 2.466 4.522) 5.314 5.094 ( -12.484 2.836 3.474) 13.265 5.385 ( -1.060 9.023 7.124) 11.545 6.201 ( -0.207 -3.432 -7.736) 8.466 6.628 ( 14.595 4.263 -8.110) 17.232 7.128 ( -4.987 -1.451 -21.379) 22.001 7.311 ( -4.846 -2.525 -10.774) 12.080 8.271 ( 3.276 -9.970 -2.018) 10.687 8.643 ( -3.485 5.736 -6.906) 9.631 9.265 ( -2.829 7.100 -3.788) 8.530 9.598 ( 6.966 -5.187 -0.172) 8.686 9.797 ( 4.501 3.832 -6.023) 8.440 10.253 ( 1.063 0.889 -6.733) 6.874 10.709 ( 2.042 0.284 -2.151) 2.979 11.799 ( -6.013 2.330 12.111) 13.721 13.292 ( -3.685 -2.794 -11.872) 12.741 13.751 ( 0.143 -0.798 -1.559) 1.757 13.953 ( 2.348 -15.481 22.426) 27.352 14.274 ( 2.461 -8.526 -5.676) 10.534 14.748 ( 0.133 -0.342 3.183) 3.204 15.587 ( 10.077 26.658 1.756) 28.553 16.084 ( 0.140 4.928 4.747) 6.844 24.116 ( -2.713 0.022 2.376) 3.606 24.504 ( 5.001 -2.435 -1.599) 5.788 25.099 ( -4.904 -4.092 1.066) 6.476 25.417 ( 8.567 4.941 -5.639) 11.385 25.739 ( 12.346 2.632 9.992) 16.099 26.401 ( -20.001 -28.814 4.469) 35.359 27.302 ( 8.639 4.025 -3.080) 10.016 27.966 ( -3.231 20.236 -10.900) 23.211 ======================= Grid point 3 (4/216) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -13.170 11.262 8.661) 19.373 1.536 ( -16.211 13.587 8.755) 22.892 2.399 ( -3.312 6.459 -5.158) 8.904 2.488 ( -6.272 -4.384 1.524) 7.803 2.605 ( -10.914 -1.987 16.763) 20.101 2.784 ( 1.925 -2.214 2.442) 3.817 2.963 ( 3.068 -3.464 -2.209) 5.128 3.111 ( -1.437 0.386 2.234) 2.684 3.179 ( -4.625 7.343 7.098) 11.211 3.783 ( -7.124 -4.010 15.724) 17.722 4.123 ( -8.302 2.500 -7.541) 11.491 4.573 ( 2.329 1.287 4.672) 5.376 4.842 ( -4.491 5.450 6.774) 9.786 5.335 ( -11.166 1.927 4.981) 12.377 5.557 ( -1.715 9.284 9.745) 13.568 6.114 ( 2.563 -2.058 -3.565) 4.848 6.349 ( 16.074 5.214 -12.038) 20.748 6.967 ( 2.224 -4.000 -17.212) 17.811 7.300 ( -3.767 -2.607 -5.328) 7.026 8.124 ( 2.671 -8.620 -2.120) 9.270 8.680 ( 1.101 5.306 -3.498) 6.450 9.237 ( 3.249 -3.541 -6.817) 8.341 9.490 ( -1.938 -1.438 -5.419) 5.932 9.751 ( 4.771 8.866 -4.071) 10.860 10.216 ( -1.365 3.309 -8.325) 9.062 10.651 ( 3.549 0.543 -2.673) 4.476 12.031 ( -7.100 3.878 13.971) 16.144 13.215 ( -0.240 -2.578 -9.188) 9.546 13.713 ( 2.494 0.840 -4.589) 5.290 13.934 ( 1.590 -14.940 16.941) 22.644 14.127 ( 0.885 -5.839 -6.601) 8.857 14.763 ( 0.022 -0.633 2.333) 2.418 15.696 ( 4.251 15.566 3.111) 16.433 16.165 ( 0.108 4.666 4.919) 6.781 24.187 ( -3.869 -0.071 3.049) 4.926 24.382 ( 5.438 -3.403 -1.753) 6.650 25.083 ( 3.300 -2.260 -5.892) 7.122 25.305 ( 1.839 3.170 -5.250) 6.402 25.697 ( 9.932 4.576 12.746) 16.794 26.484 ( -19.222 -25.525 5.164) 32.368 27.168 ( 11.699 6.734 -4.186) 14.133 28.111 ( -3.704 13.603 -6.501) 15.525 ======================= Grid point 4 (5/216) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -8.269 8.435 6.546) 13.505 1.933 ( -12.196 11.358 7.140) 18.131 2.372 ( 5.581 -1.399 -1.997) 6.090 2.508 ( -4.745 -1.642 -3.709) 6.242 2.726 ( -3.372 -7.227 7.467) 10.925 2.823 ( -0.652 -0.164 -6.318) 6.354 2.847 ( 4.095 -2.390 9.329) 10.465 3.108 ( 2.359 0.175 3.455) 4.187 3.480 ( -9.403 9.430 7.305) 15.189 3.894 ( -4.359 -7.013 -1.775) 8.446 4.249 ( -7.216 4.724 3.497) 9.307 4.659 ( -3.959 4.950 5.456) 8.364 5.005 ( -4.330 2.355 5.699) 7.535 5.510 ( -6.594 -1.194 3.781) 7.694 5.713 ( 3.531 7.421 7.893) 11.395 5.963 ( 12.891 2.870 -4.441) 13.933 6.213 ( -4.506 4.447 -5.751) 8.553 6.753 ( 5.953 -4.666 -10.337) 12.809 7.292 ( -5.096 -4.991 -3.502) 7.946 7.985 ( 5.528 -5.272 -2.365) 7.997 8.646 ( 2.813 2.093 -4.979) 6.090 9.113 ( -0.024 -2.848 -7.192) 7.735 9.474 ( 0.646 -2.855 0.283) 2.941 9.758 ( 1.684 9.117 -3.011) 9.748 10.224 ( -3.021 4.303 -8.255) 9.787 10.577 ( 4.027 0.417 -1.997) 4.514 12.281 ( -6.492 4.568 12.669) 14.950 13.118 ( 1.247 -2.590 -7.260) 7.808 13.610 ( 5.135 -1.622 -5.170) 7.465 13.902 ( -0.300 -11.967 10.904) 16.193 14.052 ( -0.276 -0.725 -4.759) 4.822 14.772 ( -0.031 -0.585 1.349) 1.471 15.784 ( 1.812 8.499 2.527) 9.050 16.235 ( 0.033 3.196 3.645) 4.848 24.255 ( 2.194 -2.027 -1.087) 3.179 24.280 ( -2.267 -1.493 2.736) 3.854 24.915 ( 9.429 1.257 -5.907) 11.197 25.322 ( -5.427 -0.684 -4.988) 7.402 25.699 ( 7.228 4.099 10.484) 13.377 26.588 ( -17.657 -21.353 5.626) 28.273 27.016 ( 13.686 9.874 -5.044) 17.613 28.221 ( -2.581 7.978 -3.705) 9.167 ======================= Grid point 5 (6/216) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -5.285 5.095 4.087) 8.401 2.121 ( 2.733 0.280 0.117) 2.749 2.350 ( -6.860 4.754 -0.359) 8.354 2.515 ( 1.403 -4.922 5.735) 7.687 2.662 ( 4.201 -0.824 -11.106) 11.903 2.765 ( -1.449 -1.698 2.527) 3.371 2.944 ( -2.111 0.023 7.934) 8.210 3.091 ( 1.600 -0.439 -0.247) 1.677 3.676 ( -0.676 5.006 6.153) 7.961 3.836 ( -2.627 -4.954 -6.820) 8.830 4.403 ( -3.331 2.231 2.753) 4.863 4.836 ( -6.642 6.086 3.855) 9.799 5.037 ( 3.250 -3.985 0.474) 5.164 5.551 ( 0.555 -0.602 -1.458) 1.672 5.718 ( 4.181 5.566 4.121) 8.090 5.867 ( 0.410 -0.801 -1.611) 1.846 6.336 ( -5.037 3.356 -0.121) 6.053 6.576 ( 4.291 -2.761 -3.570) 6.227 7.326 ( -4.971 -2.915 0.405) 5.777 7.832 ( 5.969 -1.491 -2.507) 6.643 8.598 ( 0.384 0.161 -2.533) 2.567 9.070 ( -0.850 -0.611 -3.044) 3.219 9.433 ( 1.684 -1.333 0.976) 2.359 9.797 ( 0.106 3.572 -0.618) 3.626 10.249 ( -2.072 2.040 -3.911) 4.873 10.519 ( 2.181 0.053 -0.538) 2.247 12.472 ( -3.192 2.606 6.256) 7.491 13.033 ( 1.056 -1.480 -3.775) 4.190 13.494 ( 2.642 -1.745 -2.188) 3.849 13.891 ( -0.432 -3.994 3.515) 5.338 14.030 ( -0.119 0.188 -1.647) 1.662 14.775 ( -0.016 -0.238 0.433) 0.495 15.832 ( 0.516 2.727 0.945) 2.931 16.274 ( 0.000 1.123 1.342) 1.750 24.184 ( 1.635 -1.263 -0.651) 2.167 24.348 ( -2.494 -0.394 1.720) 3.055 24.778 ( 4.587 0.920 -2.595) 5.350 25.351 ( -2.544 -0.587 -2.267) 3.458 25.708 ( 2.720 1.680 4.118) 5.213 26.706 ( -14.603 -15.722 5.214) 22.082 26.868 ( 13.395 11.856 -5.018) 18.579 28.278 ( -0.900 2.633 -1.226) 3.041 ======================= Grid point 12 (7/216) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( 0.000 0.000 19.196) 19.196 0.453 ( 0.000 0.000 28.505) 28.505 1.042 ( 0.000 0.000 67.487) 67.487 2.108 ( 0.000 0.000 0.752) 0.752 2.214 ( -0.000 -0.000 -8.015) 8.015 2.687 ( 0.000 0.000 19.639) 19.639 3.070 ( 0.000 0.000 0.170) 0.170 3.183 ( 0.000 0.000 5.986) 5.986 3.345 ( 0.000 0.000 5.205) 5.205 3.753 ( -0.000 -0.000 -4.125) 4.125 3.906 ( 0.000 0.000 1.299) 1.299 4.586 ( 0.000 0.000 4.951) 4.951 4.703 ( -0.000 -0.000 -7.254) 7.254 4.760 ( 0.000 0.000 1.160) 1.160 5.235 ( 0.000 0.000 5.149) 5.149 5.358 ( 0.000 0.000 12.345) 12.345 6.658 ( -0.000 -0.000 -7.006) 7.006 6.846 ( -0.000 -0.000 -3.388) 3.388 7.117 ( -0.000 -0.000 -5.633) 5.633 8.431 ( 0.000 0.000 8.666) 8.666 8.494 ( -0.000 -0.000 -6.337) 6.337 9.019 ( -0.000 -0.000 -2.164) 2.164 9.852 ( -0.000 -0.000 -13.868) 13.868 10.096 ( -0.000 -0.000 -7.096) 7.096 10.284 ( -0.000 -0.000 -10.054) 10.054 10.730 ( -0.000 -0.000 -1.928) 1.928 11.693 ( 0.000 0.000 13.961) 13.961 13.150 ( -0.000 -0.000 -2.251) 2.251 13.743 ( -0.000 -0.000 -3.758) 3.758 14.408 ( -0.000 -0.000 -7.922) 7.922 14.760 ( 0.000 0.000 5.253) 5.253 14.997 ( 0.000 0.000 0.635) 0.635 15.104 ( 0.000 0.000 7.407) 7.407 15.998 ( 0.000 0.000 1.275) 1.275 24.075 ( 0.000 0.000 2.504) 2.504 24.622 ( -0.000 -0.000 -0.530) 0.530 25.446 ( 0.000 0.000 0.151) 0.151 25.500 ( -0.000 -0.000 -0.504) 0.504 26.166 ( 0.000 0.000 3.628) 3.628 26.335 ( 0.000 0.000 1.485) 1.485 27.007 ( -0.000 -0.000 -2.141) 2.141 27.402 ( -0.000 -0.000 -3.553) 3.553 ======================= Grid point 13 (8/216) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -13.198 20.763 12.198) 27.460 0.846 ( -16.354 5.744 22.145) 28.122 1.752 ( -20.368 7.127 53.706) 57.879 2.173 ( -5.475 0.464 -1.785) 5.777 2.225 ( -5.675 6.886 -4.886) 10.173 2.892 ( -2.213 0.304 17.463) 17.606 3.038 ( 0.015 -6.270 0.582) 6.297 3.181 ( 2.819 -1.819 1.322) 3.606 3.343 ( 7.231 -0.894 11.918) 13.969 3.781 ( -6.330 -3.261 -2.103) 7.425 3.873 ( 2.795 1.059 2.292) 3.767 4.642 ( 1.083 3.365 6.296) 7.220 4.743 ( 1.618 -1.611 3.030) 3.794 4.886 ( -18.711 -2.425 -1.409) 18.920 5.364 ( 2.122 11.664 8.959) 14.860 5.886 ( -26.640 13.412 -21.789) 36.937 6.619 ( -7.177 -8.436 -16.825) 20.144 6.831 ( 2.489 10.893 -10.573) 15.383 7.119 ( -5.789 1.902 -7.622) 9.759 8.366 ( 2.764 -7.700 -8.333) 11.678 8.537 ( -1.266 4.306 7.432) 8.682 9.086 ( -5.312 7.948 -5.279) 10.921 9.699 ( 3.033 -1.255 -18.368) 18.660 9.885 ( 13.375 -3.026 0.226) 13.715 10.189 ( 0.962 1.113 -12.494) 12.581 10.706 ( 0.817 0.198 -3.205) 3.313 11.839 ( -2.953 -0.038 18.135) 18.374 13.170 ( -4.243 -0.603 -6.009) 7.380 13.715 ( 0.006 1.160 -5.340) 5.464 14.303 ( 2.173 -4.644 -8.801) 10.186 14.486 ( 8.948 -37.114 22.232) 44.179 14.796 ( -0.183 -2.770 5.410) 6.081 15.468 ( 10.372 38.656 1.156) 40.040 16.060 ( -2.394 3.723 2.239) 4.960 24.108 ( -1.261 0.026 3.493) 3.714 24.580 ( 3.841 -1.267 -0.852) 4.133 25.223 ( 12.820 -5.054 7.404) 15.643 25.463 ( 5.592 2.610 -2.222) 6.559 25.971 ( 6.945 -7.762 9.024) 13.781 26.414 ( -15.022 -22.138 4.944) 27.206 27.344 ( 4.460 2.146 -4.955) 7.004 27.467 ( -16.939 30.736 -18.827) 39.825 ======================= Grid point 14 (9/216) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -12.734 20.812 9.177) 26.068 1.311 ( -17.088 4.972 18.236) 25.481 2.229 ( -4.042 6.645 -6.108) 9.889 2.359 ( -12.486 1.684 3.818) 13.165 2.534 ( -16.035 8.763 33.040) 37.756 2.922 ( 4.198 -6.591 6.137) 9.936 3.006 ( 1.934 -3.974 3.763) 5.804 3.120 ( 2.197 -1.945 0.278) 2.948 3.321 ( 9.139 1.671 14.048) 16.842 3.830 ( -5.553 -4.902 5.576) 9.271 3.945 ( -6.077 2.921 1.426) 6.892 4.655 ( 4.163 0.561 4.593) 6.224 4.807 ( -2.703 3.181 8.926) 9.854 5.159 ( -17.277 -1.129 4.473) 17.883 5.532 ( 0.235 11.440 11.496) 16.220 6.032 ( -5.489 3.985 -13.075) 14.730 6.435 ( 7.468 -3.180 -15.906) 17.858 6.792 ( -1.156 6.258 -17.677) 18.788 7.173 ( -6.536 1.227 -8.541) 10.825 8.188 ( 1.891 -7.354 -9.188) 11.920 8.633 ( 0.561 4.424 4.007) 5.995 9.200 ( -7.079 3.498 -5.303) 9.512 9.458 ( 6.574 -3.536 -15.112) 16.856 9.726 ( 6.405 3.775 -4.327) 8.602 10.104 ( 1.083 4.311 -11.595) 12.418 10.659 ( 2.081 0.738 -4.266) 4.804 12.049 ( -4.849 0.851 19.695) 20.301 13.158 ( -1.601 -1.234 -6.295) 6.612 13.678 ( 0.809 2.001 -6.679) 7.019 14.149 ( 2.271 -5.745 -8.947) 10.873 14.284 ( 4.061 -22.837 17.653) 29.149 14.805 ( -0.388 -3.896 3.982) 5.584 15.635 ( 6.126 21.533 4.485) 22.832 16.151 ( -0.855 5.522 3.407) 6.545 24.166 ( -2.416 0.155 3.981) 4.660 24.480 ( 5.574 -2.464 -1.344) 6.241 25.108 ( 2.270 -4.862 -0.087) 5.366 25.341 ( 11.105 5.314 -4.082) 12.970 25.913 ( 9.193 2.586 12.442) 15.684 26.479 ( -18.349 -26.367 5.203) 32.542 27.233 ( 8.391 4.278 -5.950) 11.141 27.779 ( -11.058 19.704 -12.315) 25.733 ======================= Grid point 15 (10/216) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -9.217 17.685 7.988) 21.482 1.718 ( -15.063 3.920 13.473) 20.586 2.312 ( -3.916 8.144 -6.012) 10.854 2.478 ( -3.293 -4.011 -1.741) 5.474 2.812 ( 4.184 0.048 3.411) 5.398 2.853 ( 0.503 -9.641 6.536) 11.659 3.002 ( 2.689 -3.653 8.307) 9.465 3.204 ( -2.104 3.839 13.348) 14.048 3.343 ( -0.136 7.458 13.449) 15.379 3.861 ( -3.082 -3.973 -7.009) 8.626 4.142 ( -8.154 3.704 10.835) 14.057 4.661 ( 1.592 2.144 7.038) 7.528 4.971 ( -4.483 3.058 10.129) 11.491 5.416 ( -12.094 -1.609 4.733) 13.086 5.735 ( 0.142 10.129 12.948) 16.440 6.040 ( -4.613 3.867 -8.232) 10.198 6.118 ( 14.845 -0.528 -14.929) 21.060 6.708 ( 0.863 2.934 -15.674) 15.970 7.205 ( -6.160 -1.926 -5.980) 8.799 8.041 ( 1.623 -4.345 -8.928) 10.061 8.643 ( 2.580 0.845 -1.689) 3.197 9.149 ( 4.890 -5.743 -4.558) 8.813 9.405 ( -7.587 4.093 -4.635) 9.788 9.662 ( 0.680 4.617 -8.688) 9.862 10.065 ( 0.824 8.078 -9.780) 12.711 10.597 ( 2.821 1.400 -4.216) 5.263 12.287 ( -5.165 1.339 18.849) 19.590 13.105 ( 0.596 -1.824 -5.133) 5.480 13.618 ( 2.898 2.227 -7.442) 8.291 13.996 ( 1.097 -5.699 -9.796) 11.386 14.183 ( 1.906 -16.365 14.314) 21.825 14.800 ( -0.855 -4.284 2.415) 4.992 15.755 ( 3.680 12.843 4.406) 14.067 16.232 ( 0.425 5.229 3.311) 6.204 24.239 ( -2.907 0.209 3.337) 4.430 24.358 ( 5.322 -3.054 -1.071) 6.229 25.001 ( 6.530 -1.559 -4.553) 8.112 25.227 ( 2.915 2.816 -4.845) 6.317 25.909 ( 10.084 4.598 14.717) 18.423 26.563 ( -18.728 -24.429 4.951) 31.177 27.084 ( 11.362 6.854 -6.775) 14.898 27.999 ( -8.416 12.970 -7.760) 17.299 ======================= Grid point 16 (11/216) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -5.066 10.227 7.373) 13.587 2.040 ( -10.421 6.031 6.473) 13.670 2.346 ( 5.044 -2.812 -1.181) 5.894 2.438 ( -5.752 2.305 -5.034) 7.983 2.718 ( 5.656 -3.439 -4.397) 7.947 2.836 ( -1.045 -5.063 6.732) 8.488 3.005 ( 1.135 -1.991 6.297) 6.701 3.211 ( 9.847 2.135 9.998) 14.194 3.638 ( -5.788 7.240 13.398) 16.292 3.774 ( -1.789 -4.571 -10.488) 11.580 4.351 ( -4.303 4.428 6.953) 9.299 4.759 ( -2.464 4.701 7.951) 9.559 5.112 ( -1.359 -1.202 8.033) 8.236 5.533 ( -2.356 -0.538 -1.499) 2.844 5.773 ( 8.766 2.432 -6.003) 10.899 5.869 ( 2.238 1.413 -2.452) 3.608 6.191 ( -8.423 6.491 3.068) 11.067 6.596 ( 2.847 1.392 -9.565) 10.076 7.259 ( -7.495 -2.769 -0.248) 7.994 7.895 ( 5.856 -0.955 -9.301) 11.033 8.588 ( -0.323 -1.991 -1.895) 2.768 9.047 ( 0.470 -2.416 -1.075) 2.686 9.462 ( 0.334 -0.010 -3.322) 3.338 9.706 ( -6.428 5.136 -3.437) 8.917 10.078 ( -2.461 8.419 -9.420) 12.871 10.544 ( 2.551 1.805 -2.395) 3.937 12.493 ( -3.106 -0.078 14.271) 14.606 13.041 ( 1.273 -1.494 -2.414) 3.112 13.523 ( 4.326 1.554 -6.065) 7.610 13.875 ( -0.522 -3.126 -9.638) 10.146 14.134 ( 0.646 -10.980 10.505) 15.209 14.790 ( -1.185 -4.063 1.061) 4.363 15.826 ( 2.503 6.734 2.824) 7.719 16.280 ( 1.407 3.605 2.093) 4.399 24.229 ( 3.372 -1.910 -1.990) 4.357 24.332 ( -2.026 0.024 3.519) 4.061 24.848 ( 8.040 0.918 -2.728) 8.540 25.214 ( -5.101 -0.237 -7.910) 9.415 25.903 ( 11.686 4.480 15.089) 19.604 26.667 ( -17.782 -21.025 4.580) 27.915 26.920 ( 12.982 9.845 -7.467) 17.922 28.156 ( -6.232 7.287 -4.503) 10.593 ======================= Grid point 17 (12/216) ======================= q-point: ( 0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -2.399 2.331 5.330) 6.293 2.112 ( 5.494 -2.625 -1.037) 6.176 2.329 ( -5.829 6.017 -1.892) 8.588 2.506 ( 4.015 -2.674 -7.943) 9.293 2.592 ( -4.366 -0.042 3.273) 5.456 2.855 ( 0.532 -4.086 5.332) 6.739 2.973 ( 6.800 1.242 0.047) 6.913 3.151 ( 7.811 2.098 6.407) 10.318 3.659 ( -0.991 -3.858 -7.647) 8.622 3.853 ( -0.990 5.444 8.077) 9.791 4.445 ( 1.282 1.629 3.092) 3.723 4.918 ( -3.610 3.268 7.189) 8.683 5.038 ( 8.317 -4.568 -1.600) 9.623 5.532 ( 0.190 3.911 -0.112) 3.917 5.669 ( -4.087 -7.747 -9.502) 12.923 5.867 ( 1.119 2.251 0.511) 2.565 6.358 ( -3.689 3.543 2.779) 5.821 6.532 ( 0.942 1.872 -2.145) 2.999 7.345 ( -0.785 1.533 1.815) 2.502 7.754 ( 0.537 1.509 -7.086) 7.265 8.613 ( -2.929 -2.026 4.553) 5.780 9.058 ( -2.689 0.481 1.343) 3.044 9.408 ( 0.927 0.115 -4.760) 4.851 9.802 ( -2.543 0.017 1.447) 2.926 10.160 ( -7.382 6.007 -6.887) 11.748 10.522 ( 1.201 1.250 0.650) 1.851 12.541 ( 2.982 -5.196 2.373) 6.444 13.040 ( -0.677 1.311 4.885) 5.103 13.462 ( 1.473 3.522 -2.028) 4.323 13.800 ( -0.772 0.865 -10.317) 10.382 14.116 ( 0.291 -6.844 7.805) 10.385 14.778 ( -1.322 -3.528 0.017) 3.767 15.847 ( 1.632 1.455 0.869) 2.353 16.285 ( 2.011 1.316 0.112) 2.406 24.171 ( 0.986 0.052 -0.997) 1.404 24.367 ( 1.304 1.055 0.629) 1.791 24.773 ( 0.975 -0.155 1.918) 2.157 25.240 ( -7.665 -0.873 -9.766) 12.445 25.860 ( 12.985 2.799 13.213) 18.736 26.736 ( 6.168 4.491 -4.089) 8.656 26.813 ( -8.805 -8.289 0.569) 12.106 28.253 ( -4.158 1.925 -1.811) 4.927 ======================= Grid point 18 (13/216) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 8.551 -5.607 -2.708) 10.578 2.101 ( 1.786 -7.431 -2.491) 8.038 2.340 ( 2.203 -1.611 -0.778) 2.838 2.460 ( -4.052 7.621 -1.315) 8.731 2.690 ( 0.860 3.382 -3.891) 5.227 2.777 ( 1.839 -2.410 -7.700) 8.275 2.927 ( 5.834 1.973 14.958) 16.176 3.112 ( 4.334 1.843 1.643) 4.988 3.572 ( 0.497 -5.361 -7.337) 9.100 3.922 ( 5.606 6.882 2.327) 9.176 4.385 ( 6.978 -2.999 1.791) 7.803 4.787 ( 10.114 -5.355 -3.051) 11.844 5.040 ( 0.641 -0.304 0.869) 1.122 5.537 ( 2.815 2.128 -4.536) 5.747 5.635 ( -9.601 -8.665 -3.588) 13.421 5.877 ( -4.171 -2.624 -0.585) 4.962 6.360 ( 5.338 -3.213 2.486) 6.709 6.631 ( -8.204 6.733 3.263) 11.103 7.332 ( 5.830 7.211 0.954) 9.322 7.833 ( -7.943 5.003 -1.754) 9.550 8.672 ( -2.661 -3.827 6.170) 7.733 9.141 ( -1.900 2.593 5.470) 6.345 9.397 ( -1.907 3.606 -3.174) 5.169 9.815 ( -2.332 -6.342 1.511) 6.924 10.268 ( -4.719 1.971 -0.984) 5.208 10.543 ( -1.767 -0.005 2.255) 2.865 12.375 ( 7.385 -8.048 -5.715) 12.328 13.133 ( -1.212 3.020 8.475) 9.078 13.525 ( -3.285 6.636 1.520) 7.559 13.748 ( -0.041 3.910 -11.129) 11.796 14.116 ( 0.594 -3.096 5.884) 6.676 14.765 ( -1.309 -2.968 -0.751) 3.330 15.819 ( 0.528 -3.819 -0.739) 3.926 16.248 ( 2.053 -1.094 -1.939) 3.029 24.190 ( -2.288 2.498 0.176) 3.392 24.320 ( 5.076 1.417 -1.737) 5.549 24.847 ( -6.997 -1.540 6.226) 9.491 25.276 ( -7.656 -0.566 -9.647) 12.328 25.763 ( 12.415 0.089 8.528) 15.062 26.613 ( 15.246 17.259 -6.440) 23.912 26.933 ( -15.450 -13.120 3.282) 20.534 28.290 ( -2.212 -3.332 0.408) 4.020 ======================= Grid point 19 (14/216) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 13.092 -5.867 -4.885) 15.155 1.839 ( 10.037 -16.991 -4.513) 20.243 2.404 ( -5.409 1.163 2.157) 5.938 2.545 ( 4.839 7.208 -0.851) 8.723 2.598 ( 4.834 3.782 -5.510) 8.249 2.702 ( -0.262 0.609 -5.807) 5.845 3.003 ( 3.054 0.340 11.734) 12.129 3.081 ( 1.424 1.675 -0.579) 2.274 3.410 ( 7.911 -8.563 -1.412) 11.744 3.776 ( 14.168 3.853 -13.979) 20.273 4.308 ( 4.314 -1.383 8.773) 9.873 4.579 ( 7.229 -3.031 -5.475) 9.561 4.933 ( 5.137 -6.667 -3.756) 9.216 5.455 ( 5.717 -1.582 -2.331) 6.373 5.594 ( 1.041 -6.729 -6.837) 9.649 6.000 ( -13.924 -4.110 1.158) 14.564 6.311 ( -2.635 -3.425 5.373) 6.895 6.890 ( -10.794 7.904 6.871) 15.040 7.345 ( 3.755 6.281 2.798) 7.835 7.988 ( -4.468 9.469 -1.045) 10.522 8.714 ( -4.125 -6.312 3.316) 8.237 9.241 ( -0.687 4.400 8.125) 9.265 9.470 ( -1.837 6.354 -0.275) 6.620 9.798 ( -4.342 -10.529 2.058) 11.573 10.309 ( 0.195 -1.591 2.880) 3.296 10.606 ( -4.443 -0.492 1.641) 4.762 12.123 ( 8.752 -7.586 -7.404) 13.746 13.253 ( -0.979 4.001 10.101) 10.909 13.671 ( -5.173 7.459 -0.558) 9.095 13.700 ( 0.680 4.803 -10.270) 11.358 14.134 ( 0.814 1.559 4.307) 4.652 14.751 ( -1.173 -2.599 -1.220) 3.102 15.753 ( -1.334 -9.761 -1.493) 9.965 16.179 ( 1.548 -3.208 -3.123) 4.737 24.234 ( 5.324 0.864 -1.883) 5.713 24.280 ( -4.721 3.868 0.801) 6.155 25.025 ( -9.680 -1.076 8.387) 12.853 25.309 ( -5.570 -0.120 -6.980) 8.931 25.631 ( 7.501 -3.032 1.218) 8.182 26.505 ( 17.366 21.915 -4.665) 28.348 27.074 ( -14.118 -9.870 2.560) 17.415 28.265 ( -0.642 -8.584 2.013) 8.840 ======================= Grid point 20 (15/216) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 19.216 -6.344 -5.026) 20.851 1.459 ( 13.655 -20.565 -2.190) 24.783 2.362 ( 21.437 1.968 -7.244) 22.713 2.462 ( 4.455 -5.382 2.483) 7.414 2.521 ( 2.030 1.156 -0.212) 2.346 2.747 ( -3.216 3.637 -1.859) 5.198 2.978 ( -0.653 -4.408 -0.778) 4.523 3.093 ( -0.361 1.373 -0.357) 1.464 3.176 ( 19.436 1.343 5.303) 20.192 3.540 ( -0.490 0.928 -12.648) 12.691 4.239 ( 13.089 -1.150 5.430) 14.218 4.513 ( -5.125 0.658 -2.879) 5.915 4.767 ( 3.738 -7.679 -2.751) 8.973 5.283 ( 10.389 -4.602 -1.617) 11.477 5.449 ( 2.033 -8.333 -3.840) 9.398 6.153 ( -5.135 3.820 1.303) 6.531 6.470 ( -16.732 -6.068 3.937) 18.229 7.185 ( -9.356 7.998 9.284) 15.418 7.345 ( 3.393 2.263 0.390) 4.097 8.131 ( -2.604 11.667 -0.239) 11.957 8.731 ( -3.167 -5.752 2.223) 6.932 9.347 ( -0.101 1.708 6.146) 6.380 9.534 ( 0.435 4.868 0.030) 4.888 9.798 ( -5.881 -8.310 1.922) 10.360 10.299 ( 0.836 -1.954 2.504) 3.284 10.678 ( -3.939 -0.411 0.887) 4.059 11.879 ( 8.349 -5.658 -5.323) 11.405 13.388 ( 0.391 4.781 13.303) 14.141 13.639 ( 2.183 9.119 -15.932) 18.487 13.790 ( -4.338 0.236 0.684) 4.398 14.199 ( -0.537 7.740 2.606) 8.184 14.734 ( -0.923 -2.364 -1.163) 2.792 15.663 ( -5.037 -17.433 -1.077) 18.178 16.102 ( 0.817 -4.553 -2.606) 5.309 24.154 ( 4.293 0.385 -1.177) 4.468 24.403 ( -5.719 3.626 0.792) 6.817 25.165 ( 3.539 3.870 3.820) 6.488 25.380 ( -10.727 -3.833 4.103) 12.107 25.533 ( -4.256 -5.246 -7.777) 10.301 26.420 ( 19.667 26.386 -2.482) 33.003 27.211 ( -11.893 -6.655 1.423) 13.703 28.185 ( -0.218 -13.882 2.638) 14.132 ======================= Grid point 21 (16/216) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 23.994 -6.849 -0.000) 24.953 1.016 ( 17.353 -22.174 -0.000) 28.157 1.769 ( 41.392 -13.375 -0.000) 43.499 2.318 ( 10.187 -0.026 -0.000) 10.187 2.469 ( 1.514 -9.285 -0.000) 9.408 2.761 ( 4.748 0.447 -0.000) 4.769 2.993 ( 5.438 7.514 0.000) 9.275 3.017 ( -1.841 2.936 0.000) 3.466 3.155 ( -4.634 2.968 0.000) 5.503 3.604 ( -8.672 2.693 0.000) 9.081 4.046 ( 11.779 -1.598 -0.000) 11.887 4.590 ( -4.165 -3.636 0.000) 5.529 4.669 ( -0.238 -1.345 -0.000) 1.366 5.066 ( 11.071 -4.902 -0.000) 12.108 5.328 ( 1.852 -8.041 -0.000) 8.251 6.260 ( -2.083 6.313 0.000) 6.648 6.687 ( -15.893 -6.056 0.000) 17.008 7.269 ( 5.127 -1.029 -0.000) 5.230 7.457 ( -6.164 11.629 0.000) 13.162 8.280 ( -3.065 10.958 0.000) 11.379 8.754 ( -2.196 -0.876 0.000) 2.365 9.319 ( 3.167 -7.586 -0.000) 8.221 9.532 ( 3.015 1.734 -0.000) 3.478 9.858 ( -5.946 -1.455 0.000) 6.121 10.303 ( -1.577 -0.272 0.000) 1.601 10.725 ( -2.006 -0.082 0.000) 2.007 11.703 ( 6.322 -3.241 -0.000) 7.105 13.533 ( 8.789 13.124 0.000) 15.795 13.557 ( -1.641 5.524 0.000) 5.763 13.817 ( -1.572 -3.468 -0.000) 3.808 14.320 ( -2.312 9.848 0.000) 10.115 14.720 ( -0.533 -1.811 -0.000) 1.888 15.576 ( -12.913 -29.540 -0.000) 32.239 16.039 ( 0.242 -4.573 -0.000) 4.580 24.097 ( 2.829 0.106 -0.000) 2.831 24.519 ( -5.044 2.510 0.000) 5.634 25.088 ( 9.537 3.499 -0.000) 10.158 25.481 ( -4.019 -4.984 -0.000) 6.402 25.642 ( -16.997 -2.382 0.000) 17.163 26.362 ( 20.980 29.885 0.000) 36.514 27.326 ( -8.734 -3.936 0.000) 9.580 28.061 ( -2.507 -19.644 -0.000) 19.803 ======================= Grid point 24 (17/216) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 0.000 18.698) 18.698 0.862 ( 0.000 0.000 24.756) 24.756 2.052 ( 0.000 0.000 63.725) 63.725 2.095 ( -0.000 -0.000 -7.640) 7.640 2.121 ( 0.000 0.000 0.779) 0.779 3.036 ( 0.000 0.000 24.377) 24.377 3.078 ( 0.000 0.000 1.292) 1.292 3.212 ( -0.000 -0.000 -1.296) 1.296 3.538 ( 0.000 0.000 17.854) 17.854 3.671 ( -0.000 -0.000 -6.116) 6.116 3.936 ( 0.000 0.000 2.668) 2.668 4.609 ( -0.000 -0.000 -3.589) 3.589 4.693 ( 0.000 0.000 8.717) 8.717 4.796 ( 0.000 0.000 4.085) 4.085 5.340 ( 0.000 0.000 8.235) 8.235 5.581 ( 0.000 0.000 16.050) 16.050 6.504 ( -0.000 -0.000 -12.759) 12.759 6.767 ( -0.000 -0.000 -6.855) 6.855 7.010 ( -0.000 -0.000 -7.622) 7.622 8.343 ( -0.000 -0.000 -13.517) 13.517 8.604 ( 0.000 0.000 13.170) 13.170 8.942 ( -0.000 -0.000 -8.663) 8.663 9.551 ( -0.000 -0.000 -24.650) 24.650 9.996 ( -0.000 -0.000 -4.454) 4.454 10.077 ( -0.000 -0.000 -16.040) 16.040 10.683 ( -0.000 -0.000 -4.218) 4.218 11.973 ( 0.000 0.000 21.637) 21.637 13.108 ( -0.000 -0.000 -2.796) 2.796 13.663 ( -0.000 -0.000 -6.615) 6.615 14.255 ( -0.000 -0.000 -11.844) 11.844 14.846 ( 0.000 0.000 5.669) 5.669 15.011 ( 0.000 0.000 1.051) 1.051 15.256 ( 0.000 0.000 11.982) 11.982 16.021 ( 0.000 0.000 1.396) 1.396 24.130 ( 0.000 0.000 4.557) 4.557 24.609 ( -0.000 -0.000 -1.242) 1.242 25.449 ( 0.000 0.000 0.259) 0.259 25.491 ( -0.000 -0.000 -0.694) 0.694 26.246 ( 0.000 0.000 6.708) 6.708 26.369 ( 0.000 0.000 2.941) 2.941 26.959 ( -0.000 -0.000 -4.051) 4.051 27.323 ( -0.000 -0.000 -6.738) 6.738 ======================= Grid point 25 (18/216) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -9.627 16.735 14.714) 24.275 1.179 ( -13.366 4.120 20.817) 25.080 2.077 ( -1.291 6.107 -7.424) 9.700 2.196 ( -8.086 1.239 0.168) 8.182 2.604 ( -8.010 4.440 51.186) 51.999 3.057 ( 1.615 -5.629 4.818) 7.583 3.167 ( 2.488 -1.881 -1.702) 3.553 3.184 ( 4.637 -0.471 17.637) 18.243 3.544 ( 7.559 0.936 9.030) 11.813 3.750 ( -6.113 -0.676 2.139) 6.512 3.953 ( -1.565 -1.865 7.432) 7.821 4.748 ( 2.431 0.298 7.148) 7.556 4.837 ( -0.945 0.329 9.502) 9.555 4.850 ( -24.961 -0.164 -0.838) 24.976 5.490 ( -0.561 13.684 6.749) 15.268 5.784 ( -6.566 5.284 5.757) 10.207 6.381 ( -2.656 -7.700 -15.363) 17.389 6.687 ( 7.865 8.684 -9.942) 15.366 7.000 ( -4.668 2.142 -7.369) 8.982 8.180 ( 1.800 -5.147 -15.851) 16.763 8.690 ( 2.772 1.948 10.211) 10.758 8.960 ( -8.801 4.185 -10.469) 14.303 9.360 ( -1.119 -0.437 -25.040) 25.069 9.839 ( 7.605 -6.487 -7.671) 12.600 9.997 ( 3.824 8.573 -8.118) 12.411 10.640 ( 1.177 0.598 -5.356) 5.516 12.161 ( -2.226 -0.365 23.276) 23.385 13.102 ( -1.542 -0.272 -3.045) 3.424 13.613 ( 0.200 1.321 -7.793) 7.906 14.134 ( 1.401 -2.814 -12.986) 13.361 14.730 ( 6.733 -27.221 11.164) 30.182 14.879 ( -0.387 -5.564 5.227) 7.644 15.532 ( 3.179 26.019 6.705) 27.056 16.082 ( -3.412 4.080 0.609) 5.353 24.174 ( -0.991 -0.078 5.088) 5.184 24.564 ( 3.719 -1.244 -1.353) 4.149 25.291 ( 12.746 -5.097 2.324) 13.923 25.432 ( 8.159 3.287 -1.699) 8.959 26.123 ( 6.975 -4.387 10.790) 13.576 26.485 ( -14.129 -18.630 4.365) 23.786 27.237 ( -5.667 10.644 -10.571) 16.036 27.256 ( -7.581 15.008 -8.314) 18.758 ======================= Grid point 26 (19/216) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -10.294 19.067 11.212) 24.398 1.587 ( -14.874 3.345 17.277) 23.042 2.123 ( -2.827 9.297 -7.461) 12.251 2.352 ( -10.352 1.162 -2.030) 10.613 2.942 ( -1.410 -4.732 4.757) 6.856 3.029 ( 9.702 -3.588 10.629) 14.831 3.128 ( 4.791 -0.851 2.422) 5.435 3.247 ( -4.182 1.124 33.825) 34.101 3.513 ( 8.320 2.867 8.679) 12.360 3.795 ( -1.417 -1.863 -2.717) 3.587 4.101 ( -7.291 0.305 12.091) 14.122 4.752 ( 3.420 -0.125 7.999) 8.700 4.974 ( -3.278 2.335 12.877) 13.491 5.220 ( -21.660 -2.140 3.687) 22.076 5.691 ( -2.226 15.440 5.023) 16.389 5.885 ( 0.634 4.358 -1.491) 4.650 6.192 ( 3.653 -7.187 -15.089) 17.108 6.568 ( 6.292 10.220 -13.063) 17.739 7.057 ( -6.902 1.359 -5.829) 9.136 7.996 ( -0.061 -4.359 -15.385) 15.991 8.694 ( 3.780 -0.438 1.823) 4.220 9.107 ( -12.432 4.001 -5.876) 14.321 9.213 ( -1.372 0.229 -15.710) 15.771 9.604 ( 3.756 -6.289 -12.859) 14.799 9.977 ( 6.767 12.558 -2.333) 14.454 10.580 ( 2.292 1.874 -5.957) 6.652 12.380 ( -3.459 -0.487 23.028) 23.291 13.091 ( -0.259 -0.834 -2.461) 2.611 13.559 ( 1.019 2.518 -8.746) 9.158 13.975 ( 1.537 -4.153 -13.281) 14.000 14.514 ( 4.210 -21.753 12.064) 25.228 14.864 ( -0.773 -6.955 3.669) 7.901 15.719 ( 3.830 16.412 6.241) 17.971 16.181 ( -1.967 6.755 0.544) 7.056 24.233 ( -1.690 -0.041 4.649) 4.947 24.463 ( 5.753 -2.334 -0.993) 6.288 25.098 ( 7.223 -5.035 -1.106) 8.874 25.292 ( 12.366 5.340 -2.392) 13.681 26.114 ( 6.897 2.448 13.669) 15.505 26.551 ( -17.185 -24.164 4.162) 29.942 27.121 ( 7.997 4.679 -8.571) 12.622 27.607 ( -14.894 18.138 -9.871) 25.461 ======================= Grid point 27 (20/216) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -7.525 17.554 8.809) 21.033 1.920 ( -10.959 0.928 12.269) 16.477 2.218 ( -5.142 9.557 -6.206) 12.502 2.442 ( -3.876 -3.844 -2.935) 6.198 2.856 ( 13.347 -1.923 2.892) 13.792 2.915 ( -1.273 -7.353 3.849) 8.396 3.083 ( 1.636 -1.490 2.990) 3.720 3.445 ( 10.329 2.200 10.470) 14.871 3.633 ( -4.955 4.602 24.174) 25.102 3.729 ( 1.694 -2.695 -6.276) 7.037 4.302 ( -4.974 3.959 8.939) 10.969 4.788 ( 1.036 1.813 9.106) 9.342 5.151 ( -3.628 1.073 12.984) 13.523 5.458 ( -8.906 -1.654 0.468) 9.070 5.764 ( 5.241 4.980 -21.079) 22.284 5.891 ( 4.451 3.062 1.816) 5.699 6.061 ( -4.586 4.308 5.905) 8.629 6.496 ( 2.176 8.162 -11.941) 14.627 7.147 ( -8.992 -1.516 -0.779) 9.152 7.871 ( 0.389 -1.107 -12.197) 12.253 8.612 ( 2.347 -3.871 -2.230) 5.046 9.108 ( 1.519 -2.784 -0.851) 3.284 9.350 ( -8.834 6.656 -3.885) 11.723 9.453 ( -9.417 -2.728 -17.227) 19.822 9.976 ( 6.843 11.821 -1.337) 13.724 10.525 ( 2.480 3.777 -5.023) 6.757 12.590 ( -2.789 -1.721 20.143) 20.408 13.060 ( 1.108 -1.146 -0.628) 1.713 13.493 ( 2.535 3.557 -8.568) 9.617 13.820 ( 0.377 -3.779 -13.064) 13.604 14.370 ( 2.455 -17.055 10.006) 19.925 14.835 ( -1.516 -7.634 2.080) 8.057 15.825 ( 3.497 9.734 4.498) 11.279 16.262 ( 0.377 6.634 0.806) 6.694 24.272 ( 0.898 -1.089 0.691) 1.572 24.363 ( 3.016 -1.258 1.938) 3.799 24.947 ( 6.988 -1.679 -2.569) 7.632 25.158 ( 6.237 2.814 -4.023) 7.938 26.141 ( 9.434 5.066 15.448) 18.796 26.630 ( -18.418 -23.557 3.586) 30.116 26.962 ( 10.935 6.859 -9.212) 15.858 27.885 ( -11.841 12.264 -6.791) 18.350 ======================= Grid point 28 (21/216) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -3.205 11.447 7.038) 13.815 2.120 ( -4.613 4.013 3.614) 7.102 2.343 ( 2.418 -5.481 1.035) 6.080 2.368 ( -5.851 3.051 -3.892) 7.661 2.672 ( 7.946 -3.211 -1.937) 8.786 2.915 ( -0.941 -4.935 2.149) 5.464 3.070 ( 3.741 0.956 4.664) 6.055 3.355 ( 11.976 2.316 6.066) 13.623 3.621 ( 0.548 -3.954 -6.696) 7.795 3.868 ( -0.264 5.009 13.353) 14.264 4.456 ( -1.267 4.798 8.433) 9.785 4.896 ( -3.137 2.479 8.861) 9.721 5.203 ( 7.380 -3.178 0.787) 8.073 5.490 ( 1.971 6.721 -1.420) 7.147 5.585 ( -4.863 -7.076 -12.984) 15.566 5.861 ( 1.369 2.011 -2.484) 3.477 6.266 ( -4.753 6.531 5.181) 9.596 6.477 ( 0.214 6.863 -5.572) 8.843 7.292 ( -9.179 -1.398 4.360) 10.258 7.728 ( 6.720 1.206 -11.314) 13.214 8.605 ( -5.769 -3.320 4.797) 8.204 9.071 ( 1.754 -1.961 3.284) 4.208 9.318 ( -4.474 -0.979 -15.597) 16.256 9.678 ( -14.439 5.297 -0.037) 15.380 9.969 ( 2.384 8.197 -4.566) 9.681 10.507 ( 1.509 4.982 -2.219) 5.659 12.686 ( 2.316 -6.667 9.734) 12.024 13.063 ( -0.319 1.071 5.839) 5.945 13.430 ( 2.892 4.905 -5.715) 8.067 13.704 ( -1.190 -1.676 -12.282) 12.452 14.274 ( 1.234 -12.307 7.244) 14.333 14.804 ( -2.074 -7.232 0.732) 7.559 15.867 ( 3.122 4.794 2.286) 6.161 16.299 ( 2.395 4.547 0.464) 5.160 24.200 ( 3.424 -1.390 -1.610) 4.031 24.379 ( 0.381 1.198 2.434) 2.740 24.833 ( 4.988 -0.106 0.833) 5.058 25.096 ( -1.545 0.181 -7.287) 7.451 26.142 ( 13.165 5.299 15.628) 21.110 26.724 ( -16.996 -20.473 2.700) 26.745 26.788 ( 11.101 9.268 -9.612) 17.365 28.091 ( -9.136 6.714 -3.799) 11.957 ======================= Grid point 29 (22/216) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 7.550 -2.950 -0.893) 8.155 2.135 ( 0.146 -0.124 5.632) 5.635 2.306 ( -1.905 6.287 -0.581) 6.595 2.409 ( 1.486 -3.653 -5.437) 6.716 2.622 ( -5.839 0.077 1.153) 5.952 2.807 ( 8.543 -0.326 -6.447) 10.707 3.102 ( 1.705 0.611 12.004) 12.140 3.238 ( 11.583 2.319 4.530) 12.652 3.530 ( -0.705 -3.698 -8.697) 9.477 3.956 ( 3.795 6.162 4.000) 8.269 4.530 ( 4.852 0.656 8.543) 9.847 4.959 ( 9.830 -0.700 -8.518) 13.026 5.056 ( -1.707 -1.419 10.571) 10.802 5.469 ( -3.350 -4.232 -12.389) 13.514 5.585 ( -3.587 -1.466 3.693) 5.353 5.842 ( -1.146 -0.579 -3.512) 3.739 6.411 ( -3.371 4.828 3.757) 6.985 6.504 ( -0.452 3.929 -1.759) 4.329 7.374 ( 6.509 5.253 1.817) 8.559 7.644 ( -7.208 2.624 -6.325) 9.942 8.726 ( -3.895 -4.429 9.286) 11.001 9.097 ( -3.685 1.127 3.108) 4.951 9.288 ( -4.363 2.060 -10.155) 11.243 9.837 ( -2.033 -1.975 2.745) 3.946 10.061 ( -10.934 7.175 -5.507) 14.190 10.532 ( -0.042 3.538 0.458) 3.567 12.555 ( 7.501 -10.432 -0.028) 12.849 13.159 ( -0.526 3.076 9.206) 9.721 13.436 ( -0.171 7.109 -1.179) 7.209 13.634 ( -1.866 0.440 -10.638) 10.809 14.214 ( 0.734 -7.448 4.570) 8.769 14.777 ( -2.307 -6.311 -0.145) 6.721 15.858 ( 2.447 0.325 0.535) 2.526 16.282 ( 3.544 1.682 -0.431) 3.946 24.156 ( 0.555 0.999 -0.756) 1.370 24.369 ( 4.366 2.212 -0.120) 4.896 24.832 ( -2.613 -1.222 5.579) 6.280 25.089 ( -6.062 -0.653 -9.489) 11.279 26.063 ( 16.692 3.058 12.122) 20.854 26.628 ( 12.522 13.239 -7.830) 19.834 26.843 ( -17.067 -16.629 1.826) 23.899 28.227 ( -6.581 1.378 -1.396) 6.868 ======================= Grid point 30 (23/216) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 12.228 -3.798 -0.929) 12.838 2.063 ( 3.794 -14.218 -1.716) 14.815 2.342 ( -2.408 1.624 0.719) 2.992 2.450 ( -5.380 6.761 -0.472) 8.653 2.604 ( 11.208 5.139 -4.354) 13.076 2.719 ( -1.992 -1.769 -1.067) 2.870 3.123 ( 9.556 3.749 2.318) 10.523 3.172 ( 3.932 0.676 11.833) 12.488 3.443 ( -2.199 -4.000 -9.017) 10.106 3.911 ( 11.892 4.578 -1.755) 12.863 4.455 ( 7.637 -2.964 5.062) 9.630 4.734 ( 12.211 -0.792 -3.301) 12.674 5.054 ( 3.901 -7.341 0.603) 8.335 5.459 ( -5.634 -1.041 -3.365) 6.644 5.608 ( -0.247 -3.799 -0.826) 3.895 5.865 ( -9.117 -5.467 -0.540) 10.644 6.393 ( 5.015 -2.992 1.337) 5.991 6.667 ( -11.232 8.207 1.270) 13.968 7.346 ( 5.472 9.796 0.632) 11.238 7.803 ( -8.316 7.332 -1.364) 11.170 8.753 ( -2.272 -7.674 3.298) 8.657 9.213 ( -3.222 4.011 3.070) 5.992 9.352 ( -4.611 6.751 -2.132) 8.449 9.834 ( -3.053 -7.395 0.782) 8.038 10.245 ( -8.386 3.181 -1.197) 9.049 10.571 ( -1.872 0.536 1.090) 2.232 12.313 ( 9.469 -10.599 -2.148) 14.374 13.265 ( -0.390 5.548 7.227) 9.119 13.516 ( -1.307 7.326 -3.614) 8.273 13.616 ( -3.063 1.903 -3.864) 5.285 14.180 ( 0.961 -2.800 2.240) 3.713 14.755 ( -2.210 -5.256 -0.422) 5.717 15.811 ( 1.143 -4.489 -0.281) 4.641 16.224 ( 3.466 -1.087 -0.942) 3.753 24.191 ( -2.696 3.216 -0.004) 4.196 24.300 ( 6.226 1.903 -0.700) 6.548 24.962 ( -8.766 -2.001 8.451) 12.339 25.117 ( -8.209 -0.610 -10.090) 13.022 25.883 ( 17.255 0.282 5.173) 18.016 26.528 ( 14.370 18.222 -3.621) 23.487 26.967 ( -15.998 -13.370 1.118) 20.879 28.292 ( -4.132 -3.795 0.030) 5.610 ======================= Grid point 31 (24/216) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 15.681 -4.793 -0.000) 16.397 1.804 ( 8.459 -19.184 -0.000) 20.966 2.430 ( -6.331 0.067 0.000) 6.331 2.488 ( 10.231 8.812 -0.000) 13.503 2.606 ( -6.892 5.876 0.000) 9.057 2.644 ( 8.144 -1.576 -0.000) 8.295 3.078 ( 2.098 3.120 0.000) 3.760 3.111 ( 8.250 -3.271 -0.000) 8.875 3.432 ( -4.176 -2.709 0.000) 4.978 3.612 ( 26.424 -0.650 -0.000) 26.432 4.421 ( -2.277 -0.182 0.000) 2.285 4.502 ( 15.279 -0.947 -0.000) 15.308 4.901 ( 4.579 -9.333 -0.000) 10.396 5.443 ( 5.507 -2.547 -0.000) 6.067 5.533 ( 1.741 -6.617 -0.000) 6.842 6.008 ( -13.873 -3.907 0.000) 14.413 6.354 ( -4.612 -3.095 0.000) 5.554 6.946 ( -13.708 8.292 0.000) 16.021 7.367 ( 3.651 6.687 0.000) 7.619 7.977 ( -3.848 11.206 0.000) 11.848 8.740 ( -4.277 -7.923 -0.000) 9.003 9.314 ( -2.189 5.873 0.000) 6.268 9.465 ( -1.709 7.427 0.000) 7.621 9.815 ( -4.949 -10.571 -0.000) 11.672 10.327 ( -1.438 -0.789 0.000) 1.641 10.620 ( -4.262 -0.684 0.000) 4.316 12.065 ( 9.646 -8.712 -0.000) 12.998 13.380 ( -1.969 6.979 0.000) 7.251 13.533 ( 1.994 5.602 0.000) 5.946 13.705 ( -5.083 3.231 0.000) 6.023 14.169 ( 1.075 2.251 0.000) 2.495 14.740 ( -1.749 -4.081 -0.000) 4.440 15.741 ( -1.188 -10.242 -0.000) 10.311 16.153 ( 2.342 -3.262 -0.000) 4.016 24.219 ( 5.702 1.077 -0.000) 5.803 24.286 ( -4.983 4.109 0.000) 6.458 25.156 ( -4.060 1.984 0.000) 4.519 25.179 ( -15.225 -3.817 0.000) 15.696 25.655 ( 13.083 -2.299 -0.000) 13.283 26.465 ( 17.136 22.301 0.000) 28.124 27.094 ( -14.270 -9.868 0.000) 17.349 28.281 ( -1.960 -8.834 -0.000) 9.049 ======================= Grid point 36 (25/216) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 0.000 0.000 17.793) 17.793 1.209 ( 0.000 0.000 20.562) 20.562 1.974 ( -0.000 -0.000 -8.239) 8.239 2.124 ( -0.000 -0.000 -0.706) 0.706 2.891 ( 0.000 0.000 31.884) 31.884 3.178 ( -0.000 -0.000 -2.799) 2.799 3.194 ( 0.000 0.000 27.013) 27.013 3.372 ( 0.000 0.000 17.388) 17.388 3.580 ( -0.000 -0.000 -5.352) 5.352 3.811 ( 0.000 0.000 15.806) 15.806 3.991 ( 0.000 0.000 4.764) 4.764 4.641 ( 0.000 0.000 9.338) 9.338 4.832 ( 0.000 0.000 8.765) 8.765 4.911 ( 0.000 0.000 11.528) 11.528 5.472 ( 0.000 0.000 8.356) 8.356 5.832 ( 0.000 0.000 16.178) 16.178 6.277 ( -0.000 -0.000 -16.712) 16.712 6.636 ( -0.000 -0.000 -10.232) 10.232 6.903 ( -0.000 -0.000 -5.661) 5.661 8.077 ( -0.000 -0.000 -21.110) 21.110 8.749 ( -0.000 -0.000 -16.001) 16.001 8.815 ( 0.000 0.000 13.934) 13.934 9.124 ( -0.000 -0.000 -30.083) 30.083 9.821 ( -0.000 -0.000 -16.621) 16.621 9.985 ( 0.000 0.000 3.001) 3.001 10.601 ( -0.000 -0.000 -6.446) 6.446 12.333 ( 0.000 0.000 24.885) 24.885 13.077 ( -0.000 -0.000 -0.988) 0.988 13.546 ( -0.000 -0.000 -8.513) 8.513 14.047 ( -0.000 -0.000 -15.424) 15.424 14.927 ( 0.000 0.000 4.737) 4.737 15.027 ( 0.000 0.000 1.071) 1.071 15.454 ( 0.000 0.000 13.315) 13.315 16.033 ( -0.000 -0.000 -0.072) 0.072 24.210 ( 0.000 0.000 5.832) 5.832 24.583 ( -0.000 -0.000 -2.234) 2.234 25.453 ( 0.000 0.000 0.303) 0.303 25.480 ( -0.000 -0.000 -0.606) 0.606 26.367 ( 0.000 0.000 9.056) 9.056 26.425 ( 0.000 0.000 4.311) 4.311 26.885 ( -0.000 -0.000 -5.526) 5.526 27.199 ( -0.000 -0.000 -9.254) 9.254 ======================= Grid point 37 (26/216) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -7.337 13.633 15.101) 21.627 1.473 ( -12.017 3.161 17.243) 21.254 1.954 ( -1.036 7.162 -8.247) 10.971 2.179 ( -7.422 1.232 -2.502) 7.929 2.995 ( -0.725 -3.622 4.058) 5.487 3.133 ( 1.427 -1.924 -2.176) 3.236 3.381 ( 11.509 -0.592 12.521) 17.017 3.508 ( -0.222 -0.029 41.617) 41.618 3.556 ( 0.648 2.945 -2.866) 4.160 3.879 ( 3.363 -2.215 9.730) 10.530 4.083 ( -6.266 -1.058 9.622) 11.531 4.860 ( -1.587 -2.444 7.798) 8.324 4.930 ( -14.671 3.872 11.871) 19.265 5.028 ( -1.752 0.963 14.822) 14.956 5.573 ( -0.375 8.215 3.866) 9.087 5.941 ( 3.379 3.385 11.376) 12.341 6.136 ( -2.001 -5.387 -16.064) 17.061 6.516 ( 8.560 7.320 -12.263) 16.650 6.915 ( -4.546 1.858 -2.735) 5.622 7.886 ( -0.099 -2.931 -22.127) 22.320 8.679 ( -4.320 1.730 -13.396) 14.181 8.918 ( -4.063 -0.900 -1.144) 4.315 8.972 ( -5.489 3.062 -16.082) 17.266 9.637 ( 3.370 -7.155 -15.045) 16.997 10.004 ( 7.170 9.104 5.760) 12.941 10.543 ( 1.517 1.453 -7.303) 7.599 12.534 ( -1.581 -0.717 25.100) 25.160 13.080 ( -0.489 -0.133 0.251) 0.565 13.481 ( 0.386 1.313 -9.184) 9.285 13.907 ( 0.737 -1.977 -16.683) 16.816 14.856 ( 4.918 -18.609 5.810) 20.106 14.950 ( -0.555 -7.198 3.893) 8.203 15.658 ( 0.937 16.639 9.288) 19.079 16.076 ( -2.896 4.977 -1.529) 5.958 24.259 ( -0.531 -0.254 5.806) 5.836 24.536 ( 3.006 -1.093 -2.305) 3.943 25.311 ( 12.641 -5.354 0.514) 13.738 25.413 ( 9.643 3.954 -0.872) 10.458 26.297 ( 4.871 -3.252 11.804) 13.177 26.548 ( -13.173 -17.464 3.865) 22.214 27.074 ( -6.040 10.160 -10.563) 15.852 27.141 ( -5.797 12.685 -7.049) 15.627 ======================= Grid point 38 (27/216) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -8.297 16.947 11.789) 22.249 1.830 ( -13.955 1.950 14.234) 20.029 2.002 ( -2.116 11.379 -8.252) 14.215 2.301 ( -9.911 0.868 -4.792) 11.043 2.978 ( -0.657 -6.054 1.981) 6.404 3.081 ( 2.259 -2.332 -0.099) 3.249 3.220 ( 14.716 -2.485 7.345) 16.634 3.535 ( 3.337 3.625 -3.660) 6.137 3.800 ( 0.998 0.145 29.268) 29.286 3.832 ( 5.425 -3.430 7.024) 9.515 4.273 ( -5.360 2.247 13.204) 14.427 4.874 ( 2.231 -0.772 6.612) 7.021 5.196 ( -3.169 1.144 15.746) 16.103 5.288 ( -14.680 1.876 5.368) 15.743 5.623 ( 4.546 9.203 -10.292) 14.536 5.922 ( 2.524 -1.747 -9.317) 9.810 6.056 ( 1.072 2.628 6.352) 6.958 6.382 ( 6.674 10.641 -10.683) 16.490 7.023 ( -8.347 0.081 2.204) 8.633 7.738 ( -4.119 -1.457 -17.462) 18.001 8.652 ( -1.417 -2.801 -6.447) 7.171 8.957 ( -12.168 2.468 -15.617) 19.951 9.081 ( -8.701 4.905 0.140) 9.989 9.391 ( 4.576 -8.149 -12.156) 15.334 10.020 ( 9.286 10.537 6.091) 15.309 10.479 ( 2.661 4.379 -7.054) 8.719 12.740 ( -2.022 -1.985 23.488) 23.658 13.084 ( 0.556 -0.501 1.665) 1.826 13.418 ( 1.033 2.842 -9.279) 9.759 13.744 ( 0.437 -2.742 -16.879) 17.106 14.657 ( 4.050 -19.142 6.809) 20.717 14.913 ( -1.221 -9.292 2.599) 9.726 15.817 ( 2.902 11.298 6.208) 13.213 16.172 ( -2.220 8.947 -1.574) 9.351 24.302 ( -0.112 -0.722 4.244) 4.307 24.447 ( 4.551 -1.693 -1.120) 4.983 25.080 ( 9.846 -4.955 -1.058) 11.073 25.264 ( 13.482 5.141 -1.345) 14.491 26.327 ( 4.822 2.034 13.930) 14.880 26.604 ( -16.401 -22.889 2.663) 28.284 26.973 ( 7.541 5.251 -10.675) 14.086 27.482 ( -15.942 17.036 -6.389) 24.191 ======================= Grid point 39 (28/216) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -5.660 16.277 8.800) 19.350 2.057 ( -1.728 7.038 1.683) 7.440 2.144 ( -12.236 2.971 0.204) 12.593 2.389 ( -6.318 -2.987 -3.752) 7.932 2.902 ( 14.633 -2.586 3.078) 15.175 2.965 ( 0.615 -6.441 1.684) 6.686 3.134 ( 1.131 -1.129 4.564) 4.836 3.447 ( 6.533 3.280 -7.557) 10.514 3.740 ( 7.372 -4.233 7.369) 11.250 3.956 ( 2.147 2.059 11.919) 12.285 4.476 ( -1.606 4.903 17.033) 17.798 4.902 ( -1.034 0.424 3.462) 3.638 5.326 ( 3.744 -0.934 5.085) 6.383 5.449 ( 0.278 0.890 -16.642) 16.668 5.461 ( -0.370 5.349 3.317) 6.305 5.820 ( -0.577 -0.365 -8.644) 8.671 6.196 ( -1.927 8.172 7.914) 11.538 6.353 ( 1.300 9.952 -6.493) 11.954 7.187 ( -11.256 -3.570 5.161) 12.887 7.698 ( -0.701 2.544 -9.460) 9.821 8.609 ( -2.948 -5.622 3.401) 7.202 9.029 ( -10.671 0.292 -16.295) 19.480 9.197 ( 4.483 -4.643 -3.988) 7.587 9.341 ( -17.485 8.203 -1.786) 19.396 9.995 ( 8.888 6.622 2.588) 11.382 10.452 ( 2.573 8.016 -4.085) 9.357 12.872 ( 1.492 -6.644 14.594) 16.105 13.100 ( -0.050 0.821 6.866) 6.916 13.368 ( 1.640 4.855 -7.166) 8.810 13.600 ( -0.941 -1.741 -15.398) 15.525 14.486 ( 2.833 -16.353 5.089) 17.359 14.861 ( -2.059 -10.156 1.250) 10.437 15.885 ( 3.505 6.719 3.062) 8.173 16.263 ( 0.433 8.576 -0.465) 8.600 24.271 ( 4.277 -2.490 -0.337) 4.961 24.400 ( 1.164 0.559 2.136) 2.496 24.922 ( 5.363 -2.525 -0.796) 5.981 25.106 ( 9.862 3.306 -2.651) 10.734 26.376 ( 8.668 5.658 15.031) 18.251 26.670 ( -17.743 -22.128 1.440) 28.399 26.804 ( 10.145 5.741 -11.101) 16.097 27.801 ( -13.645 11.808 -3.993) 18.481 ======================= Grid point 40 (29/216) ======================= q-point: ( 0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -1.244 11.261 5.058) 12.407 2.138 ( -0.053 7.515 -1.383) 7.641 2.326 ( -7.223 1.013 -1.419) 7.430 2.372 ( -1.999 -9.107 1.823) 9.500 2.653 ( 11.526 -3.304 -0.657) 12.008 2.905 ( 5.350 -2.233 -1.572) 6.006 3.174 ( -1.126 -0.564 7.786) 7.887 3.329 ( 4.469 3.581 -6.968) 9.019 3.614 ( 9.693 -4.708 2.868) 11.151 3.991 ( 4.322 5.474 2.841) 7.531 4.651 ( 1.967 3.391 16.078) 16.549 4.921 ( -0.384 2.071 -10.128) 10.345 5.193 ( 4.917 -1.174 5.541) 7.500 5.368 ( -1.401 -4.150 -11.884) 12.666 5.582 ( -1.573 3.338 7.201) 8.091 5.784 ( -2.104 0.121 -6.292) 6.636 6.322 ( -1.590 6.937 1.850) 7.353 6.427 ( -1.857 8.905 -1.336) 9.194 7.370 ( -11.659 -2.472 4.610) 12.779 7.580 ( 10.593 2.789 -6.848) 12.918 8.749 ( -9.769 -3.951 13.752) 17.325 9.030 ( -9.473 -1.550 -18.723) 21.040 9.123 ( 0.955 -0.334 1.523) 1.828 9.686 ( -17.073 8.893 0.553) 19.259 9.927 ( 5.437 2.347 -1.254) 6.054 10.482 ( 1.280 8.165 -0.890) 8.313 12.776 ( 6.782 -11.046 2.594) 13.219 13.201 ( 0.059 2.786 9.545) 9.943 13.364 ( -0.053 5.667 -2.233) 6.091 13.516 ( -2.318 0.364 -10.697) 10.951 14.349 ( 1.638 -12.232 2.525) 12.597 14.812 ( -2.609 -9.277 0.275) 9.641 15.892 ( 3.460 3.371 0.904) 4.915 16.300 ( 2.974 5.462 -0.069) 6.220 24.182 ( 3.548 -1.136 -0.609) 3.774 24.404 ( 2.429 2.091 0.782) 3.299 24.865 ( 0.090 -1.911 2.553) 3.191 25.000 ( 3.105 1.307 -4.587) 5.691 26.366 ( 15.492 5.613 12.530) 20.701 26.624 ( 10.118 9.886 -10.335) 17.519 26.757 ( -18.410 -20.871 0.973) 27.848 28.049 ( -10.690 6.395 -1.504) 12.548 ======================= Grid point 41 (30/216) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 7.946 -2.409 -0.000) 8.304 2.189 ( 2.211 0.107 -0.000) 2.214 2.321 ( 4.203 3.940 -0.000) 5.761 2.340 ( -4.223 -3.727 0.000) 5.632 2.633 ( -7.932 -0.672 0.000) 7.960 2.748 ( 12.716 2.080 -0.000) 12.885 3.227 ( 2.127 -0.349 -0.000) 2.155 3.277 ( 3.932 4.667 -0.000) 6.103 3.434 ( 6.042 -4.858 -0.000) 7.753 3.981 ( 5.671 6.035 -0.000) 8.282 4.643 ( 8.996 -1.315 -0.000) 9.092 4.847 ( 6.145 3.278 -0.000) 6.965 5.196 ( 3.952 -6.987 -0.000) 8.028 5.311 ( -10.152 -2.912 0.000) 10.562 5.635 ( 0.731 0.536 -0.000) 0.907 5.799 ( -4.445 -2.224 0.000) 4.970 6.456 ( -6.679 7.802 0.000) 10.271 6.478 ( 2.506 1.921 -0.000) 3.158 7.391 ( 11.986 7.346 -0.000) 14.058 7.590 ( -12.680 2.206 0.000) 12.870 8.826 ( -0.932 -8.132 -0.000) 8.185 9.150 ( -3.375 1.014 0.000) 3.524 9.155 ( -11.140 6.023 0.000) 12.664 9.865 ( 0.892 -2.715 -0.000) 2.858 10.012 ( -14.366 7.277 0.000) 16.104 10.535 ( -0.418 4.649 0.000) 4.668 12.553 ( 8.907 -11.956 -0.000) 14.909 13.254 ( 1.995 5.518 0.000) 5.868 13.431 ( -2.254 4.306 0.000) 4.860 13.525 ( -3.070 2.114 0.000) 3.728 14.249 ( 0.953 -7.384 -0.000) 7.446 14.775 ( -2.688 -7.485 -0.000) 7.953 15.862 ( 2.738 -0.155 -0.000) 2.742 16.277 ( 4.140 1.890 -0.000) 4.551 24.150 ( 0.410 1.336 0.000) 1.397 24.368 ( 5.403 2.606 -0.000) 5.999 24.914 ( -6.444 -3.051 0.000) 7.129 24.978 ( -2.607 0.881 0.000) 2.752 26.175 ( 19.078 2.248 -0.000) 19.210 26.550 ( 10.951 14.795 0.000) 18.406 26.858 ( -17.494 -17.095 0.000) 24.460 28.216 ( -7.475 1.167 0.000) 7.566 ======================= Grid point 48 (31/216) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 0.000 0.000 16.358) 16.358 1.480 ( 0.000 0.000 13.619) 13.619 1.852 ( -0.000 -0.000 -6.670) 6.670 2.090 ( -0.000 -0.000 -4.088) 4.088 3.033 ( 0.000 0.000 2.252) 2.252 3.134 ( -0.000 -0.000 -2.830) 2.830 3.519 ( -0.000 -0.000 -2.377) 2.377 3.531 ( 0.000 0.000 3.874) 3.874 3.814 ( 0.000 0.000 30.357) 30.357 3.987 ( 0.000 0.000 7.039) 7.039 4.142 ( 0.000 0.000 21.956) 21.956 4.905 ( 0.000 0.000 23.686) 23.686 4.953 ( 0.000 0.000 5.784) 5.784 5.132 ( 0.000 0.000 16.749) 16.749 5.574 ( 0.000 0.000 3.944) 3.944 6.002 ( -0.000 -0.000 -18.900) 18.900 6.056 ( 0.000 0.000 12.270) 12.270 6.461 ( -0.000 -0.000 -12.172) 12.172 6.866 ( 0.000 0.000 1.948) 1.948 7.710 ( -0.000 -0.000 -26.082) 26.082 8.490 ( -0.000 -0.000 -16.245) 16.245 8.674 ( -0.000 -0.000 -27.063) 27.063 9.021 ( 0.000 0.000 12.804) 12.804 9.584 ( -0.000 -0.000 -14.142) 14.142 10.072 ( 0.000 0.000 7.764) 7.764 10.488 ( -0.000 -0.000 -8.243) 8.243 12.722 ( 0.000 0.000 25.606) 25.606 13.087 ( 0.000 0.000 2.489) 2.489 13.408 ( -0.000 -0.000 -9.312) 9.312 13.783 ( -0.000 -0.000 -19.007) 19.007 14.989 ( 0.000 0.000 3.294) 3.294 15.041 ( 0.000 0.000 0.596) 0.596 15.652 ( 0.000 0.000 12.234) 12.234 16.012 ( -0.000 -0.000 -2.840) 2.840 24.304 ( 0.000 0.000 6.202) 6.202 24.540 ( -0.000 -0.000 -3.460) 3.460 25.458 ( 0.000 0.000 0.294) 0.294 25.472 ( -0.000 -0.000 -0.434) 0.434 26.500 ( 0.000 0.000 5.489) 5.489 26.519 ( 0.000 0.000 10.682) 10.682 26.793 ( -0.000 -0.000 -6.422) 6.422 27.044 ( -0.000 -0.000 -10.921) 10.921 ======================= Grid point 49 (32/216) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -6.031 11.243 14.144) 19.048 1.664 ( -10.563 5.225 3.296) 12.237 1.864 ( -1.693 5.560 0.678) 5.851 2.112 ( -6.831 1.334 -6.425) 9.472 3.032 ( -0.232 -3.586 1.974) 4.100 3.100 ( 0.204 -1.977 -2.193) 2.959 3.473 ( 8.451 -0.771 2.308) 8.794 3.514 ( 1.861 2.928 -1.546) 3.798 3.962 ( -1.417 -2.916 9.092) 9.653 3.989 ( 2.743 -1.873 5.649) 6.553 4.377 ( -0.058 1.254 31.933) 31.958 4.952 ( 1.673 -1.745 1.301) 2.745 5.173 ( -6.162 4.503 18.003) 19.554 5.281 ( -1.727 0.270 17.786) 17.871 5.579 ( 3.926 4.429 -4.393) 7.371 5.846 ( -0.531 -2.695 -18.008) 18.216 6.124 ( 3.309 3.115 7.896) 9.110 6.334 ( 7.189 6.344 -10.298) 14.070 6.950 ( -5.421 0.470 8.342) 9.960 7.527 ( -3.822 -1.419 -23.774) 24.121 8.468 ( -9.012 1.471 -11.614) 14.774 8.593 ( -12.058 2.353 -18.771) 22.434 9.092 ( 2.183 -0.907 10.176) 10.447 9.427 ( 3.729 -4.396 -12.061) 13.368 10.122 ( 5.580 5.763 8.970) 12.034 10.419 ( 1.989 2.998 -8.702) 9.416 12.918 ( -0.958 -1.264 24.755) 24.806 13.113 ( 0.125 -0.012 4.145) 4.147 13.339 ( 0.440 1.322 -9.108) 9.214 13.624 ( 0.063 -1.298 -20.155) 20.197 14.919 ( 3.860 -14.376 2.594) 15.110 14.995 ( -0.758 -7.209 1.976) 7.513 15.800 ( 0.551 9.832 8.803) 13.208 16.033 ( -2.334 6.863 -3.994) 8.277 24.347 ( 0.159 -0.488 5.616) 5.640 24.492 ( 2.001 -0.859 -3.514) 4.134 25.314 ( 13.016 -5.407 0.012) 14.095 25.404 ( 10.288 4.188 -0.324) 11.113 26.479 ( 1.703 -3.951 11.524) 12.301 26.600 ( -11.994 -18.779 2.737) 22.450 26.909 ( 0.574 7.305 -10.733) 12.996 27.050 ( -10.507 17.286 -4.503) 20.724 ======================= Grid point 50 (33/216) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -7.123 14.463 10.746) 19.375 1.853 ( -5.551 13.271 -9.248) 17.102 2.035 ( -8.747 0.819 10.276) 13.520 2.206 ( -10.838 1.560 -7.188) 13.098 3.006 ( -0.443 -6.017 1.409) 6.195 3.071 ( 0.725 -1.091 -0.777) 1.523 3.316 ( 12.212 -3.651 4.509) 13.521 3.466 ( 6.581 3.842 -3.917) 8.568 3.920 ( 3.370 -5.140 4.305) 7.504 4.024 ( 0.150 -0.264 2.367) 2.386 4.613 ( 1.490 2.608 26.990) 27.157 4.897 ( 1.393 -0.302 -6.716) 6.865 5.343 ( 0.921 3.699 -0.648) 3.866 5.424 ( 3.932 0.452 4.098) 5.697 5.471 ( 3.043 5.265 4.503) 7.567 5.716 ( -2.236 -1.340 -14.499) 14.731 6.174 ( 1.641 7.197 5.249) 9.058 6.264 ( 4.191 8.932 -4.561) 10.869 7.124 ( -8.765 -4.690 8.807) 13.281 7.493 ( -9.768 3.885 -12.755) 16.528 8.561 ( -12.349 -3.516 -3.676) 13.356 8.749 ( -11.664 4.788 -8.757) 15.351 9.101 ( -3.385 -2.275 1.276) 4.273 9.269 ( 4.144 -1.087 -3.893) 5.789 10.119 ( 8.954 3.952 5.281) 11.121 10.378 ( 2.824 9.081 -5.097) 10.790 13.066 ( 1.337 -5.697 14.647) 15.773 13.152 ( -0.258 0.690 9.686) 9.714 13.292 ( 0.461 3.529 -6.046) 7.015 13.466 ( -0.988 -0.640 -18.672) 18.709 14.725 ( 3.964 -17.294 2.190) 17.878 14.941 ( -1.585 -10.601 0.940) 10.760 15.894 ( 2.831 6.679 3.117) 7.895 16.144 ( -2.281 11.921 -1.454) 12.224 24.356 ( 2.707 -2.090 2.323) 4.134 24.429 ( 1.763 -0.311 -1.095) 2.099 25.068 ( 10.839 -4.983 -0.400) 11.936 25.250 ( 14.346 5.067 -0.470) 15.222 26.529 ( 1.727 -0.046 11.512) 11.641 26.627 ( -14.777 -21.169 -0.075) 25.816 26.808 ( 7.751 6.076 -9.391) 13.608 27.415 ( -15.924 16.691 -2.232) 23.176 ======================= Grid point 51 (34/216) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -5.359 14.363 0.000) 15.330 1.978 ( -1.359 14.824 0.000) 14.886 2.191 ( -10.046 -4.391 0.000) 10.964 2.349 ( -8.861 -1.771 0.000) 9.037 2.937 ( 16.890 -2.188 -0.000) 17.032 2.966 ( -0.689 -5.648 -0.000) 5.689 3.198 ( -1.639 -4.965 -0.000) 5.228 3.355 ( 9.785 5.730 -0.000) 11.339 3.818 ( 7.107 -5.646 -0.000) 9.077 4.018 ( 3.286 3.587 -0.000) 4.865 4.781 ( 2.793 2.315 -0.000) 3.627 4.799 ( -0.476 2.548 0.000) 2.592 5.256 ( 3.642 0.685 -0.000) 3.706 5.375 ( 4.584 1.105 -0.000) 4.715 5.570 ( -0.877 3.436 0.000) 3.546 5.697 ( -3.860 0.464 0.000) 3.888 6.271 ( 2.036 7.495 0.000) 7.767 6.291 ( -1.992 10.598 0.000) 10.783 7.245 ( -11.648 -6.951 0.000) 13.564 7.616 ( -0.928 6.180 0.000) 6.249 8.728 ( -14.471 -6.437 0.000) 15.838 8.774 ( -3.950 -2.269 0.000) 4.556 9.192 ( 4.784 -0.002 -0.000) 4.784 9.326 ( -18.251 8.155 0.000) 19.990 10.021 ( 9.112 2.437 -0.000) 9.432 10.417 ( 2.665 11.039 0.000) 11.356 12.980 ( 5.249 -9.553 -0.000) 10.900 13.238 ( 0.914 2.659 0.000) 2.812 13.299 ( -1.657 1.891 0.000) 2.515 13.414 ( -2.088 2.443 0.000) 3.214 14.525 ( 2.990 -15.915 -0.000) 16.193 14.871 ( -2.299 -11.128 -0.000) 11.363 15.910 ( 3.534 5.267 0.000) 6.343 16.257 ( 0.494 9.652 0.000) 9.665 24.268 ( 5.115 -2.824 -0.000) 5.843 24.417 ( 1.015 1.092 -0.000) 1.491 24.917 ( 3.920 -3.192 -0.000) 5.055 25.084 ( 11.832 3.767 -0.000) 12.417 26.583 ( 4.208 6.172 0.000) 7.470 26.606 ( 8.072 2.278 -0.000) 8.387 26.703 ( -11.599 -18.881 -0.000) 22.159 27.769 ( -14.169 11.670 0.000) 18.356 ======================= Grid point 61 (35/216) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.000 0.000 14.002) 14.002 1.537 ( -0.000 -0.000 -7.029) 7.029 1.856 ( 0.000 0.000 7.959) 7.959 1.995 ( -0.000 -0.000 -8.250) 8.250 3.062 ( 0.000 0.000 1.832) 1.832 3.093 ( -0.000 -0.000 -2.368) 2.368 3.509 ( 0.000 0.000 0.973) 0.973 3.536 ( -0.000 -0.000 -1.766) 1.766 4.007 ( 0.000 0.000 4.445) 4.445 4.038 ( 0.000 0.000 0.250) 0.250 4.633 ( 0.000 0.000 30.543) 30.543 4.943 ( -0.000 -0.000 -9.325) 9.325 5.287 ( 0.000 0.000 23.401) 23.401 5.409 ( 0.000 0.000 19.029) 19.029 5.547 ( -0.000 -0.000 -9.071) 9.071 5.706 ( -0.000 -0.000 -19.589) 19.589 6.192 ( 0.000 0.000 6.056) 6.056 6.293 ( -0.000 -0.000 -8.718) 8.718 6.996 ( 0.000 0.000 15.362) 15.362 7.312 ( -0.000 -0.000 -24.664) 24.664 8.306 ( -0.000 -0.000 -5.883) 5.883 8.355 ( -0.000 -0.000 -12.792) 12.792 9.207 ( 0.000 0.000 11.678) 11.678 9.386 ( -0.000 -0.000 -12.002) 12.002 10.207 ( 0.000 0.000 9.449) 9.449 10.352 ( -0.000 -0.000 -9.363) 9.363 13.107 ( 0.000 0.000 24.566) 24.566 13.154 ( 0.000 0.000 6.136) 6.136 13.268 ( -0.000 -0.000 -8.590) 8.590 13.467 ( -0.000 -0.000 -22.215) 22.215 15.027 ( 0.000 0.000 1.740) 1.740 15.043 ( -0.000 -0.000 -0.375) 0.375 15.820 ( 0.000 0.000 9.632) 9.632 15.943 ( -0.000 -0.000 -6.265) 6.265 24.396 ( 0.000 0.000 5.752) 5.752 24.477 ( -0.000 -0.000 -4.731) 4.731 25.462 ( 0.000 0.000 0.279) 0.279 25.467 ( -0.000 -0.000 -0.314) 0.314 26.591 ( 0.000 0.000 6.329) 6.329 26.690 ( 0.000 0.000 11.578) 11.578 26.692 ( -0.000 -0.000 -6.679) 6.679 26.870 ( -0.000 -0.000 -11.684) 11.684 ======================= Grid point 62 (36/216) ======================= q-point: ( 0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -5.459 7.429 0.000) 9.219 1.579 ( -6.550 11.501 0.000) 13.236 1.980 ( -5.379 1.581 0.000) 5.607 1.988 ( -6.825 2.245 0.000) 7.185 3.058 ( 0.138 -3.624 -0.000) 3.627 3.072 ( -0.662 -1.645 -0.000) 1.773 3.485 ( 5.457 -0.160 -0.000) 5.459 3.506 ( 3.742 2.518 -0.000) 4.511 4.003 ( 0.675 -4.287 -0.000) 4.340 4.032 ( -0.670 -1.028 -0.000) 1.227 4.816 ( 1.645 0.146 -0.000) 1.652 4.820 ( 1.513 0.563 -0.000) 1.614 5.415 ( 5.391 2.207 -0.000) 5.825 5.440 ( 3.533 4.647 0.000) 5.838 5.548 ( -0.426 -2.112 -0.000) 2.155 5.577 ( -2.425 0.414 0.000) 2.460 6.201 ( 4.934 3.063 -0.000) 5.808 6.235 ( 3.832 6.326 0.000) 7.396 7.139 ( -3.749 -5.095 -0.000) 6.326 7.220 ( -8.604 3.678 0.000) 9.357 8.371 ( -10.365 -1.525 0.000) 10.477 8.439 ( -13.516 6.170 0.000) 14.858 9.220 ( 5.269 -6.089 -0.000) 8.052 9.286 ( 1.794 0.783 -0.000) 1.958 10.241 ( 5.494 0.960 -0.000) 5.577 10.303 ( 1.520 7.180 0.000) 7.339 13.188 ( 1.216 -2.363 -0.000) 2.657 13.211 ( -0.282 0.588 0.000) 0.652 13.281 ( 0.363 -1.084 -0.000) 1.143 13.311 ( -1.418 1.679 0.000) 2.198 14.938 ( 3.527 -13.252 -0.000) 13.713 15.010 ( -0.853 -6.991 -0.000) 7.043 15.895 ( 1.640 3.955 0.000) 4.282 15.977 ( -3.213 11.180 0.000) 11.633 24.422 ( 1.481 -1.282 -0.000) 1.959 24.434 ( 0.541 -0.061 -0.000) 0.544 25.313 ( 13.212 -5.385 -0.000) 14.267 25.401 ( 10.477 4.216 -0.000) 11.293 26.602 ( -2.996 -7.813 -0.000) 8.368 26.623 ( -11.308 -20.768 -0.000) 23.647 26.792 ( 6.196 10.815 0.000) 12.465 27.013 ( -12.182 19.547 0.000) 23.032 ======================= Grid point 126 (37/216) ======================= q-point: ( 0.09 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 0.000 19.021 -0.000) 19.021 0.459 ( 0.000 24.077 -0.000) 24.077 0.957 ( 0.000 50.458 -0.000) 50.458 2.125 ( 0.000 2.390 -0.000) 2.390 2.442 ( 0.000 13.318 -0.000) 13.318 2.499 ( 0.000 0.111 -0.000) 0.111 3.046 ( -0.000 -2.312 0.000) 2.312 3.096 ( -0.000 -2.109 0.000) 2.109 3.276 ( -0.000 -4.594 0.000) 4.594 3.705 ( -0.000 -7.001 0.000) 7.001 3.923 ( 0.000 1.942 -0.000) 1.942 4.625 ( 0.000 7.581 -0.000) 7.581 4.655 ( -0.000 -8.173 0.000) 8.173 4.847 ( 0.000 7.692 -0.000) 7.692 5.347 ( 0.000 9.009 -0.000) 9.009 6.289 ( -0.000 -7.000 0.000) 7.000 6.953 ( 0.000 7.269 -0.000) 7.269 7.170 ( -0.000 -8.988 0.000) 8.988 7.171 ( 0.000 0.822 -0.000) 0.822 8.464 ( 0.000 10.818 -0.000) 10.818 8.726 ( -0.000 -13.145 0.000) 13.145 9.288 ( 0.000 16.260 -0.000) 16.260 9.475 ( 0.000 0.794 -0.000) 0.794 9.940 ( -0.000 -2.079 0.000) 2.079 10.351 ( -0.000 -1.278 0.000) 1.278 10.742 ( -0.000 -0.316 0.000) 0.316 11.623 ( 0.000 4.686 -0.000) 4.686 13.166 ( -0.000 -0.304 0.000) 0.304 13.580 ( -0.000 -6.111 0.000) 6.111 13.837 ( 0.000 4.925 -0.000) 4.925 14.361 ( -0.000 -11.937 0.000) 11.937 14.693 ( -0.000 -1.865 0.000) 1.865 16.042 ( 0.000 5.277 -0.000) 5.277 16.348 ( -0.000 -0.423 0.000) 0.423 24.056 ( 0.000 0.082 -0.000) 0.082 24.606 ( -0.000 -2.184 0.000) 2.184 24.931 ( -0.000 -2.642 0.000) 2.642 25.428 ( -0.000 -1.863 0.000) 1.863 25.552 ( 0.000 4.806 -0.000) 4.806 26.308 ( -0.000 -1.659 0.000) 1.659 27.461 ( 0.000 3.334 -0.000) 3.334 28.248 ( -0.000 -0.089 0.000) 0.089 ======================= Grid point 127 (38/216) ======================= q-point: ( 0.18 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -14.808 14.029 14.582) 25.074 0.947 ( -20.882 18.385 9.619) 29.438 1.589 ( -17.718 37.337 13.836) 43.582 2.200 ( -5.882 2.429 0.488) 6.383 2.516 ( -4.407 9.148 -8.107) 12.994 2.675 ( -5.350 3.819 12.792) 14.382 2.942 ( 6.551 -3.008 -0.972) 7.274 3.078 ( 1.951 -2.207 3.549) 4.612 3.197 ( 4.242 -4.350 1.933) 6.376 3.639 ( 0.951 -7.953 1.278) 8.111 3.947 ( -3.285 2.457 -1.451) 4.351 4.596 ( -2.116 -9.967 0.523) 10.203 4.729 ( 0.359 11.991 2.248) 12.205 4.979 ( -7.757 9.019 -2.368) 12.130 5.441 ( 1.989 11.157 5.995) 12.821 6.201 ( 0.160 -6.331 -3.780) 7.375 6.904 ( 6.622 5.483 -10.020) 13.203 7.138 ( -8.589 -8.778 -13.593) 18.319 7.229 ( -6.281 -1.911 -1.180) 6.671 8.337 ( 12.337 -3.241 -6.925) 14.514 8.703 ( -6.421 7.717 -8.166) 12.941 9.401 ( 2.095 13.699 -4.603) 14.603 9.571 ( 3.052 -4.292 15.921) 16.769 9.890 ( 0.407 -0.662 -5.421) 5.476 10.314 ( 1.466 -0.629 -2.720) 3.154 10.735 ( 0.192 -0.367 -0.688) 0.803 11.704 ( -2.288 6.454 5.000) 8.479 13.240 ( -8.630 -3.465 -5.913) 11.020 13.575 ( -1.032 -10.105 12.993) 16.493 13.875 ( 1.313 3.555 0.608) 3.838 14.219 ( 0.552 -14.528 -2.063) 14.684 14.690 ( -1.999 -3.084 0.560) 3.718 16.069 ( 9.422 10.557 -4.812) 14.946 16.144 ( 11.423 10.401 2.351) 15.627 24.072 ( -1.273 0.131 1.302) 1.826 24.552 ( 3.287 -3.264 -0.852) 4.710 24.970 ( -3.048 -4.427 6.238) 8.234 25.554 ( -5.076 -0.379 -3.467) 6.159 25.629 ( -10.582 -4.007 6.773) 13.187 26.153 ( 14.173 -3.201 1.633) 14.621 27.460 ( 4.265 5.097 -1.525) 6.819 28.182 ( 0.045 7.960 -11.304) 13.825 ======================= Grid point 128 (39/216) ======================= q-point: ( 0.27 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -16.135 10.333 12.560) 22.910 1.456 ( -15.339 18.751 6.571) 25.101 2.217 ( -13.161 11.547 14.818) 22.937 2.340 ( -8.248 3.357 2.555) 9.264 2.595 ( 1.338 8.102 -3.751) 9.028 2.800 ( 3.331 -0.624 3.788) 5.083 2.886 ( -6.915 -1.901 2.113) 7.476 3.064 ( -0.504 0.267 2.336) 2.405 3.164 ( 3.152 2.056 8.625) 9.411 3.596 ( -1.075 -4.512 7.667) 8.961 4.052 ( -9.117 2.493 -3.684) 10.144 4.533 ( -0.263 -8.207 2.521) 8.590 4.868 ( 0.472 14.018 3.524) 14.462 5.188 ( -10.428 7.292 -0.533) 12.736 5.578 ( 1.314 10.748 9.000) 14.081 6.122 ( -0.130 -4.446 -2.947) 5.335 6.722 ( 13.139 5.045 -10.900) 17.802 7.042 ( -2.647 -8.536 -12.931) 15.719 7.265 ( -2.886 -1.855 -3.658) 5.015 8.095 ( 6.098 -8.953 -2.986) 11.236 8.803 ( 0.338 11.635 -4.097) 12.340 9.366 ( 7.450 2.589 -6.902) 10.481 9.518 ( 3.586 -2.688 -0.386) 4.499 9.884 ( -0.862 5.593 -4.796) 7.418 10.282 ( 0.162 2.361 -3.456) 4.189 10.711 ( 1.704 -0.113 -1.618) 2.352 11.889 ( -5.837 7.415 9.471) 13.370 13.237 ( -2.895 -2.997 -8.711) 9.656 13.615 ( -3.620 -10.558 12.994) 17.130 13.834 ( 4.786 -4.196 -0.957) 6.437 14.091 ( -1.789 -8.092 -3.231) 8.895 14.699 ( -3.245 -4.056 -0.178) 5.198 15.975 ( 11.731 14.677 -1.175) 18.826 16.187 ( 1.709 5.456 5.060) 7.635 24.116 ( -2.467 -0.018 2.568) 3.561 24.442 ( 5.211 -4.156 -1.365) 6.804 25.024 ( -5.542 -3.630 0.043) 6.625 25.514 ( 7.827 5.129 -5.697) 10.955 25.786 ( 0.116 0.483 9.734) 9.746 25.977 ( -3.900 -15.272 4.921) 16.512 27.409 ( 7.698 7.412 -2.861) 11.063 28.217 ( -3.802 7.427 -8.601) 11.983 ======================= Grid point 129 (40/216) ======================= q-point: ( 0.36 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -13.066 7.111 9.971) 17.908 1.862 ( -11.542 16.388 4.395) 20.520 2.372 ( -2.233 -6.885 1.412) 7.375 2.515 ( -4.470 2.939 3.546) 6.418 2.550 ( 5.069 -0.683 3.870) 6.414 2.785 ( 1.909 1.485 5.258) 5.788 2.914 ( 1.124 -2.349 -4.277) 5.007 3.126 ( 2.795 1.450 5.096) 5.990 3.361 ( -11.945 11.638 7.487) 18.281 3.711 ( -5.413 -3.407 11.688) 13.323 4.183 ( -8.255 3.724 -3.428) 9.683 4.547 ( -5.320 -3.466 7.080) 9.510 5.009 ( 0.690 12.328 2.455) 12.589 5.389 ( -7.808 3.950 1.039) 8.812 5.729 ( 1.063 8.535 10.696) 13.725 6.096 ( -1.183 0.335 -0.988) 1.577 6.448 ( 15.962 5.160 -12.647) 21.008 6.868 ( 4.318 -6.983 -9.627) 12.653 7.230 ( -1.402 -4.478 -4.512) 6.509 7.948 ( 1.246 -10.022 1.559) 10.219 8.811 ( 5.673 8.475 -7.993) 12.957 9.183 ( 5.281 -2.416 -8.553) 10.338 9.466 ( 2.356 -0.942 1.420) 2.908 9.911 ( -0.205 8.458 -7.224) 11.126 10.289 ( 0.174 4.031 -3.692) 5.469 10.655 ( 3.531 -0.172 -2.171) 4.148 12.142 ( -7.347 8.045 10.431) 15.083 13.161 ( 0.205 -3.175 -7.754) 8.381 13.650 ( 2.833 -15.561 5.691) 16.809 13.693 ( -1.755 -3.580 3.289) 5.169 14.065 ( -2.478 0.035 -4.725) 5.335 14.710 ( -4.033 -4.520 -1.173) 6.170 15.950 ( 8.195 11.198 1.050) 13.916 16.243 ( 1.445 3.369 4.881) 6.104 24.182 ( -3.439 -0.502 3.490) 4.926 24.311 ( 5.194 -4.086 -1.174) 6.712 25.043 ( -1.210 -1.754 -5.174) 5.596 25.370 ( 7.357 3.638 -5.797) 10.048 25.784 ( 10.834 4.204 12.775) 17.270 26.073 ( -19.378 -18.402 5.353) 27.254 27.328 ( 10.155 10.327 -4.092) 15.051 28.272 ( -3.445 4.096 -6.224) 8.209 ======================= Grid point 130 (41/216) ======================= q-point: ( 0.45 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -8.390 4.223 5.957) 11.123 2.149 ( -2.950 7.166 1.365) 7.869 2.295 ( -2.826 -2.944 -0.564) 4.119 2.499 ( 4.615 -1.432 4.098) 6.336 2.651 ( -6.531 0.002 4.313) 7.827 2.788 ( 4.140 -3.143 -4.568) 6.920 2.858 ( -0.454 2.999 5.316) 6.120 3.121 ( 3.861 1.155 4.661) 6.161 3.656 ( -5.030 9.208 6.898) 12.557 3.767 ( -3.230 -6.284 -0.782) 7.109 4.345 ( -5.764 5.501 4.209) 9.011 4.718 ( -9.573 1.210 7.186) 12.031 5.077 ( 3.602 5.312 -0.948) 6.488 5.490 ( -2.744 -0.354 0.038) 2.767 5.836 ( 2.403 4.550 7.961) 9.479 6.029 ( 12.903 4.651 -7.141) 15.463 6.309 ( -2.951 5.735 -2.629) 6.965 6.660 ( 6.760 -5.598 -5.059) 10.131 7.205 ( -4.175 -3.512 0.384) 5.469 7.876 ( 1.626 -6.779 3.391) 7.752 8.681 ( 5.529 1.868 -11.786) 13.152 9.080 ( -0.526 -1.205 -5.817) 5.964 9.437 ( 3.409 -0.429 3.977) 5.256 9.932 ( 2.404 9.448 -5.933) 11.413 10.277 ( 1.003 0.959 -3.145) 3.437 10.575 ( 4.203 -0.774 -1.563) 4.551 12.392 ( -6.260 7.315 7.236) 12.044 13.069 ( 0.989 -2.591 -6.053) 6.658 13.478 ( 2.395 -11.726 0.547) 11.981 13.765 ( -3.293 -3.505 8.546) 9.806 14.074 ( -2.248 3.309 -6.821) 7.907 14.720 ( -4.532 -4.586 -2.171) 6.803 15.932 ( 6.642 7.037 0.927) 9.721 16.276 ( 1.384 1.112 3.594) 4.009 24.207 ( 3.255 -2.523 -0.251) 4.126 24.260 ( -3.964 -1.232 3.856) 5.666 24.931 ( 7.714 0.642 -6.169) 9.898 25.328 ( -3.169 1.201 -5.268) 6.264 25.754 ( 8.924 1.350 11.291) 14.455 26.251 ( -18.323 -14.538 5.867) 24.115 27.236 ( 11.833 13.688 -5.061) 18.789 28.291 ( -1.709 -0.214 -4.142) 4.486 ======================= Grid point 131 (42/216) ======================= q-point: ( 0.55 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -0.112 -3.294 -2.834) 4.346 2.085 ( -0.267 -1.114 0.304) 1.185 2.413 ( 6.357 -1.668 1.991) 6.867 2.498 ( -8.396 5.187 5.740) 11.417 2.644 ( 5.920 -1.849 -2.557) 6.709 2.760 ( -5.945 1.074 -3.772) 7.122 2.958 ( -1.464 1.989 6.489) 6.943 3.099 ( 3.621 1.235 2.462) 4.550 3.692 ( 0.280 -3.287 -4.091) 5.256 3.843 ( -1.066 5.508 6.445) 8.545 4.448 ( 1.601 2.510 1.663) 3.410 4.916 ( -0.478 1.363 -0.341) 1.484 4.981 ( -0.692 -1.240 0.485) 1.500 5.466 ( 0.536 -5.125 -2.352) 5.664 5.837 ( 3.905 -0.170 -6.115) 7.257 5.896 ( 5.860 8.059 1.889) 10.141 6.376 ( 1.684 0.770 0.006) 1.852 6.538 ( 1.362 -1.051 2.396) 2.950 7.317 ( -6.061 2.163 6.095) 8.863 7.812 ( 3.516 -1.120 2.407) 4.406 8.565 ( -1.293 -3.231 -6.537) 7.405 9.060 ( -1.306 -0.578 -1.473) 2.051 9.425 ( 1.220 0.866 2.008) 2.504 9.899 ( 7.272 6.785 -4.088) 10.753 10.233 ( 2.549 -3.758 2.208) 5.049 10.509 ( 1.676 -1.113 -0.407) 2.053 12.527 ( -1.225 3.079 -3.101) 4.539 13.014 ( -0.235 -0.477 -0.598) 0.800 13.408 ( -2.453 -6.450 3.904) 7.928 13.853 ( -2.417 -0.882 8.543) 8.922 14.089 ( -2.288 5.882 -9.285) 11.227 14.728 ( -4.843 -4.490 -3.179) 7.329 15.885 ( 5.971 2.783 -0.483) 6.605 16.275 ( 1.399 -0.999 1.420) 2.230 24.172 ( 0.151 0.070 1.037) 1.051 24.330 ( -2.961 -1.600 3.162) 4.618 24.788 ( 5.372 0.219 -3.668) 6.509 25.362 ( -3.333 1.709 -3.916) 5.419 25.708 ( 5.892 -1.707 6.531) 8.960 26.447 ( -17.218 -11.033 5.950) 21.297 27.149 ( 13.111 17.210 -5.515) 22.327 28.254 ( 0.287 -5.102 -2.040) 5.502 ======================= Grid point 132 (43/216) ======================= q-point: (-0.36 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 6.471 -9.942 -5.477) 13.066 2.081 ( 5.400 -2.252 -5.506) 8.034 2.325 ( 0.602 0.428 -0.518) 0.902 2.566 ( 5.356 1.088 5.981) 8.102 2.694 ( -6.320 1.056 5.274) 8.299 2.814 ( -5.407 2.770 -6.342) 8.783 2.966 ( 3.129 3.319 -4.954) 6.734 3.111 ( 0.954 1.482 3.665) 4.067 3.588 ( 4.762 -3.841 -7.943) 10.026 3.942 ( 2.230 5.621 9.843) 11.552 4.367 ( 7.711 -1.567 -3.444) 8.589 4.717 ( 7.195 -6.293 -5.707) 11.132 5.112 ( 0.506 3.747 -3.607) 5.226 5.445 ( -9.510 -7.452 4.314) 12.829 5.724 ( 4.249 2.175 -9.703) 10.813 5.879 ( 1.573 0.265 -2.253) 2.761 6.265 ( 8.521 -3.879 0.105) 9.363 6.638 ( -3.787 3.930 10.650) 11.967 7.402 ( 5.095 4.578 3.640) 7.757 7.874 ( -6.572 2.862 6.367) 9.587 8.554 ( -4.387 -4.235 0.083) 6.098 9.092 ( -1.206 1.865 3.830) 4.427 9.449 ( -2.375 -0.079 0.974) 2.569 9.779 ( 9.340 1.373 -3.203) 9.969 10.173 ( 4.971 -5.398 9.354) 11.889 10.509 ( -2.343 -0.910 1.058) 2.727 12.436 ( 4.178 -1.253 -13.271) 13.969 13.064 ( -1.781 1.696 5.772) 6.274 13.477 ( -5.643 -2.433 6.595) 9.015 13.955 ( -2.064 1.406 8.727) 9.077 14.112 ( -2.824 9.008 -12.530) 15.688 14.733 ( -5.028 -4.618 -4.288) 8.062 15.792 ( 5.716 -1.462 -2.424) 6.378 16.237 ( 1.457 -2.592 -1.080) 3.163 24.216 ( -2.685 2.158 2.014) 3.991 24.345 ( 1.631 -0.739 -0.001) 1.790 24.755 ( -3.711 -1.404 1.461) 4.229 25.384 ( 2.435 2.968 1.369) 4.075 25.651 ( -0.328 -4.309 -2.380) 4.934 26.658 ( -16.175 -7.784 5.635) 18.814 27.075 ( 14.315 20.650 -5.253) 25.669 28.156 ( 2.193 -10.381 0.104) 10.611 ======================= Grid point 133 (44/216) ======================= q-point: (-0.27 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 10.845 -11.952 -5.521) 17.057 1.817 ( 14.681 -2.825 -11.971) 19.153 2.335 ( 0.432 -3.082 2.790) 4.180 2.588 ( 2.917 5.395 4.379) 7.536 2.771 ( -2.008 -1.948 2.853) 3.996 2.892 ( -5.780 2.900 -13.084) 14.595 2.928 ( 2.256 8.365 -0.594) 8.684 3.113 ( 1.001 0.739 -0.129) 1.251 3.318 ( 14.183 -7.672 -9.153) 18.542 4.016 ( 5.131 5.898 3.510) 8.569 4.175 ( 8.494 -3.292 -3.209) 9.658 4.556 ( 0.795 -5.427 -5.373) 7.678 4.979 ( 8.048 -0.785 -8.817) 11.963 5.517 ( 4.466 -0.642 -4.173) 6.145 5.604 ( 3.205 -3.655 -9.607) 10.767 5.919 ( -15.609 -1.808 0.416) 15.719 6.149 ( 4.264 -2.471 7.578) 9.039 6.834 ( -2.624 3.751 16.380) 17.008 7.366 ( 6.835 2.696 4.412) 8.571 8.072 ( -6.515 3.859 7.225) 10.466 8.598 ( -4.022 -2.844 1.355) 5.108 9.199 ( -2.349 6.450 7.450) 10.130 9.506 ( -3.001 -1.525 4.414) 5.551 9.611 ( 7.715 -5.116 -0.375) 9.265 10.145 ( 3.595 -3.498 11.618) 12.655 10.565 ( -3.888 -0.696 2.548) 4.700 12.225 ( 6.167 -1.634 -16.088) 17.307 13.159 ( -1.253 1.679 8.169) 8.433 13.597 ( -4.858 -1.555 6.896) 8.577 14.075 ( -2.558 2.055 8.894) 9.480 14.153 ( -4.359 12.699 -16.670) 21.404 14.727 ( -5.171 -5.281 -5.496) 9.210 15.647 ( 5.870 -5.549 -4.271) 9.137 16.171 ( 1.405 -3.207 -3.255) 4.781 24.270 ( 3.673 0.140 -1.462) 3.956 24.321 ( -3.867 2.183 1.267) 4.618 24.887 ( -10.830 -1.452 5.869) 12.403 25.351 ( 9.170 2.227 6.674) 11.558 25.617 ( -7.827 -4.285 -11.529) 14.578 26.875 ( -14.662 -4.822 5.051) 16.240 27.017 ( 15.573 23.457 -4.200) 28.467 27.998 ( 3.929 -15.517 2.251) 16.164 ======================= Grid point 134 (45/216) ======================= q-point: (-0.18 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 16.492 -9.863 -5.854) 20.088 1.434 ( 19.177 -2.062 -14.420) 24.082 2.303 ( 3.651 -3.002 6.033) 7.664 2.540 ( 11.093 1.356 0.046) 11.175 2.607 ( 26.121 -0.647 -19.593) 32.659 2.841 ( -3.079 2.323 -4.467) 5.901 3.016 ( -9.618 -0.102 -8.822) 13.051 3.094 ( 3.341 1.586 4.519) 5.840 3.127 ( -2.426 -0.518 0.626) 2.558 3.846 ( 7.534 2.320 -18.188) 19.823 4.095 ( 9.091 -0.615 10.459) 13.872 4.521 ( -5.557 -2.767 -4.228) 7.511 4.787 ( 5.989 -1.284 -8.354) 10.359 5.314 ( 12.042 -0.482 -8.866) 14.962 5.423 ( 3.972 -4.155 -8.055) 9.896 6.157 ( -1.017 1.976 8.745) 9.023 6.269 ( -19.723 -2.956 6.954) 21.121 7.018 ( 1.650 1.500 22.619) 22.729 7.327 ( 5.004 0.546 5.622) 7.546 8.245 ( -5.047 3.740 6.837) 9.285 8.616 ( 0.909 -1.757 2.239) 2.988 9.311 ( 5.924 3.785 0.533) 7.050 9.517 ( -1.059 1.430 10.433) 10.584 9.596 ( -7.257 -6.784 6.462) 11.851 10.176 ( 0.754 -1.076 9.949) 10.036 10.641 ( -3.605 -0.342 2.993) 4.698 11.992 ( 6.576 -0.723 -15.678) 17.017 13.251 ( 0.427 1.115 10.507) 10.575 13.688 ( -2.407 -1.102 5.725) 6.307 14.189 ( -5.098 9.132 -8.521) 13.490 14.234 ( -5.879 6.245 -5.171) 10.015 14.707 ( -5.148 -6.020 -6.470) 10.228 15.449 ( 6.704 -8.279 -5.451) 11.967 16.094 ( 1.119 -2.388 -4.513) 5.227 24.187 ( 4.041 -0.052 -2.654) 4.835 24.428 ( -5.349 1.372 1.877) 5.833 25.115 ( -11.508 0.978 7.445) 13.741 25.263 ( 7.921 -1.157 4.720) 9.294 25.632 ( -10.602 -2.078 -13.401) 17.214 26.963 ( 16.802 22.252 -2.500) 27.995 27.084 ( -12.316 -2.320 4.304) 13.251 27.795 ( 5.679 -17.317 4.728) 18.828 ======================= Grid point 135 (46/216) ======================= q-point: (-0.09 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 21.297 -0.000 -6.439) 22.249 0.989 ( 22.946 -0.000 -15.010) 27.419 1.878 ( 40.060 -0.000 -28.541) 49.187 2.287 ( 3.220 0.000 6.579) 7.325 2.351 ( 13.342 0.000 -0.343) 13.347 2.826 ( 1.607 -0.000 -7.473) 7.644 3.079 ( -7.338 -0.000 -8.020) 10.870 3.112 ( 4.136 0.000 3.017) 5.119 3.186 ( -6.166 -0.000 -0.778) 6.215 3.721 ( -5.814 -0.000 -10.526) 12.025 3.988 ( 11.750 0.000 5.244) 12.867 4.560 ( -3.248 -0.000 -3.412) 4.711 4.688 ( -1.098 -0.000 -4.027) 4.174 5.070 ( 11.816 -0.000 -6.187) 13.338 5.295 ( 3.319 -0.000 -5.573) 6.486 6.232 ( 2.831 0.000 13.189) 13.489 6.587 ( -16.738 -0.000 3.589) 17.118 7.136 ( 6.777 0.000 21.769) 22.799 7.335 ( 5.899 0.000 18.765) 19.671 8.397 ( -5.353 0.000 5.712) 7.828 8.585 ( 6.876 0.000 8.815) 11.179 9.177 ( 9.222 0.000 0.707) 9.250 9.666 ( -9.114 -0.000 -4.013) 9.959 9.750 ( -7.063 0.000 12.089) 14.001 10.245 ( -1.506 0.000 7.494) 7.643 10.705 ( -2.152 0.000 2.357) 3.192 11.785 ( 5.696 -0.000 -12.814) 14.023 13.323 ( 3.633 0.000 14.582) 15.028 13.741 ( -0.595 0.000 3.951) 3.995 14.248 ( -14.637 -0.000 -32.756) 35.878 14.347 ( -3.592 0.000 7.736) 8.529 14.688 ( -4.094 -0.000 -6.169) 7.404 15.236 ( 7.912 -0.000 -5.373) 9.564 16.033 ( 0.613 -0.000 -4.378) 4.420 24.115 ( 2.772 -0.000 -2.224) 3.554 24.527 ( -4.883 0.000 1.596) 5.137 25.147 ( 5.473 -0.000 -2.038) 5.840 25.361 ( -9.637 0.000 6.244) 11.483 25.712 ( -14.419 -0.000 -9.992) 17.543 26.822 ( 17.399 0.000 -0.951) 17.425 27.264 ( -8.875 0.000 3.241) 9.448 27.635 ( 8.553 0.000 9.449) 12.745 ======================= Grid point 136 (47/216) ======================= q-point: ( 0.00 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 23.043 0.000 -0.000) 23.043 0.861 ( 26.138 0.000 -0.000) 26.138 1.641 ( 50.094 0.000 -0.000) 50.094 2.346 ( 1.740 0.000 -0.000) 1.740 2.348 ( 13.537 0.000 -0.000) 13.537 2.765 ( 5.250 0.000 -0.000) 5.250 3.008 ( -7.429 -0.000 0.000) 7.429 3.144 ( 7.996 0.000 -0.000) 7.996 3.187 ( -5.408 -0.000 0.000) 5.408 3.629 ( -11.665 -0.000 0.000) 11.665 4.031 ( 13.166 0.000 -0.000) 13.166 4.532 ( -2.085 -0.000 0.000) 2.085 4.658 ( -3.081 -0.000 0.000) 3.081 5.020 ( 11.956 0.000 -0.000) 11.956 5.250 ( 2.961 0.000 -0.000) 2.961 6.335 ( -1.783 -0.000 0.000) 1.783 6.615 ( -16.750 -0.000 0.000) 16.750 7.258 ( 5.894 0.000 -0.000) 5.894 7.563 ( -13.620 -0.000 0.000) 13.620 8.440 ( -5.636 -0.000 0.000) 5.636 8.760 ( -4.288 -0.000 0.000) 4.288 9.227 ( 10.220 0.000 -0.000) 10.220 9.549 ( 4.423 0.000 -0.000) 4.423 9.848 ( -7.871 -0.000 0.000) 7.871 10.301 ( -2.508 -0.000 0.000) 2.508 10.723 ( -2.211 -0.000 0.000) 2.211 11.681 ( 6.288 0.000 -0.000) 6.288 13.619 ( -2.280 -0.000 0.000) 2.280 13.762 ( -0.628 -0.000 0.000) 0.628 13.772 ( -0.522 -0.000 0.000) 0.522 14.418 ( -3.517 -0.000 0.000) 3.517 14.628 ( -4.478 -0.000 0.000) 4.478 15.194 ( 8.714 0.000 -0.000) 8.714 15.993 ( 0.705 0.000 -0.000) 0.705 24.098 ( 2.921 0.000 -0.000) 2.921 24.543 ( -4.952 -0.000 0.000) 4.952 25.127 ( 10.830 0.000 -0.000) 10.830 25.428 ( -4.930 -0.000 0.000) 4.930 25.617 ( -19.223 -0.000 0.000) 19.223 26.814 ( 17.437 0.000 -0.000) 17.437 27.289 ( -9.053 -0.000 0.000) 9.053 27.722 ( 1.729 0.000 -0.000) 1.729 ======================= Grid point 138 (48/216) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 0.000 17.024 19.867) 26.163 0.722 ( 0.000 22.536 19.681) 29.920 1.296 ( 0.000 29.249 46.887) 55.262 2.134 ( 0.000 2.579 1.064) 2.790 2.323 ( 0.000 10.424 -7.528) 12.858 2.712 ( 0.000 3.047 19.208) 19.449 3.021 ( -0.000 -3.106 -2.322) 3.878 3.154 ( -0.000 -3.107 4.729) 5.658 3.307 ( -0.000 -3.742 6.289) 7.318 3.701 ( -0.000 -5.866 -0.816) 5.922 3.913 ( 0.000 1.023 -1.085) 1.491 4.646 ( -0.000 -3.737 0.772) 3.816 4.668 ( 0.000 3.980 3.486) 5.290 4.794 ( 0.000 7.158 -4.868) 8.657 5.449 ( 0.000 8.701 11.808) 14.668 6.049 ( 0.000 23.945 -28.315) 37.082 6.628 ( 0.000 4.989 -23.481) 24.005 7.018 ( 0.000 9.408 -6.288) 11.316 7.132 ( 0.000 1.581 -4.722) 4.980 8.392 ( -0.000 -7.240 -14.788) 16.465 8.522 ( 0.000 9.595 7.198) 11.995 9.220 ( 0.000 15.592 -7.032) 17.104 9.834 ( -0.000 -1.856 -13.597) 13.724 9.875 ( -0.000 -14.005 15.190) 20.661 10.291 ( 0.000 0.385 -8.310) 8.319 10.729 ( 0.000 -0.116 -1.683) 1.687 11.704 ( 0.000 2.827 12.034) 12.362 13.147 ( -0.000 -0.313 -2.258) 2.280 13.742 ( -0.000 -3.746 0.638) 3.799 13.997 ( -0.000 -22.515 26.176) 34.527 14.314 ( -0.000 -10.085 -5.812) 11.640 14.718 ( -0.000 -3.848 2.938) 4.841 16.055 ( 0.000 5.452 1.530) 5.663 16.079 ( 0.000 23.994 -21.297) 32.083 24.075 ( -0.000 0.025 2.435) 2.435 24.599 ( -0.000 -2.348 -0.585) 2.420 25.246 ( -0.000 -24.570 22.620) 33.396 25.429 ( -0.000 -1.899 0.113) 1.902 25.608 ( 0.000 0.833 9.471) 9.508 26.317 ( -0.000 -1.825 1.243) 2.208 27.435 ( 0.000 3.548 -3.258) 4.817 27.863 ( 0.000 26.846 -32.978) 42.523 ======================= Grid point 139 (49/216) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -10.478 12.368 18.783) 24.810 1.149 ( -8.639 23.182 13.616) 28.239 2.014 ( -14.390 19.647 37.064) 44.349 2.220 ( -4.711 5.214 3.721) 7.952 2.419 ( -4.345 12.694 -4.236) 14.070 2.906 ( 0.012 1.163 16.563) 16.604 2.920 ( 3.990 -4.951 -1.188) 6.469 3.117 ( 1.562 -4.636 0.176) 4.895 3.315 ( 4.709 -1.500 14.056) 14.899 3.675 ( -2.774 -6.980 3.213) 8.169 3.912 ( -2.418 2.050 -2.411) 3.983 4.615 ( -2.158 -9.130 2.274) 9.653 4.796 ( 0.202 10.971 6.441) 12.723 4.931 ( -12.160 7.340 -3.108) 14.540 5.594 ( 4.051 12.122 12.759) 18.060 6.087 ( -3.266 2.630 -10.480) 11.288 6.578 ( -7.000 4.382 -24.773) 26.113 6.977 ( 4.827 4.182 -7.752) 10.044 7.166 ( -4.663 2.219 -6.163) 8.040 8.191 ( 2.197 -9.384 -9.650) 13.639 8.682 ( -0.125 11.188 4.198) 11.951 9.275 ( -0.677 10.493 -11.394) 15.504 9.644 ( 7.010 -4.452 -13.029) 15.450 9.825 ( 2.344 -2.544 0.239) 3.467 10.234 ( 1.430 3.797 -6.511) 7.671 10.711 ( 0.572 0.269 -2.511) 2.589 11.866 ( -3.091 3.663 15.797) 16.508 13.153 ( -3.137 -1.148 -4.893) 5.925 13.716 ( -1.068 -3.925 0.161) 4.070 13.979 ( 0.964 -14.094 15.005) 20.609 14.155 ( 0.756 -12.047 -6.247) 13.591 14.706 ( -2.111 -5.884 1.421) 6.410 15.995 ( 12.155 17.234 -3.730) 21.416 16.177 ( -0.493 7.919 2.002) 8.183 24.108 ( -1.392 0.076 3.398) 3.673 24.536 ( 3.851 -3.284 -0.975) 5.155 25.088 ( 5.855 -8.016 7.004) 12.149 25.513 ( -1.203 0.955 -2.017) 2.535 25.766 ( -12.292 -8.296 10.729) 18.304 26.198 ( 10.820 -3.954 4.040) 12.207 27.415 ( 4.305 5.481 -4.382) 8.233 27.926 ( -7.410 15.977 -18.798) 25.759 ======================= Grid point 140 (50/216) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -12.660 7.715 15.556) 21.490 1.578 ( -8.950 21.197 9.067) 24.731 2.309 ( -7.145 1.073 -0.081) 7.226 2.467 ( -1.269 8.948 0.484) 9.050 2.678 ( -0.585 1.948 20.733) 20.832 2.836 ( 2.764 0.898 2.777) 4.020 2.958 ( 0.456 -0.979 7.872) 7.946 3.094 ( -3.208 1.209 3.034) 4.578 3.358 ( 5.683 2.207 14.459) 15.692 3.739 ( -6.135 -4.160 8.361) 11.173 4.005 ( -7.974 3.324 0.128) 8.640 4.593 ( -1.910 -6.569 5.569) 8.821 4.944 ( 0.715 11.361 6.379) 13.049 5.193 ( -13.909 5.079 1.581) 14.891 5.755 ( 2.757 11.713 13.606) 18.164 6.058 ( -1.611 -1.017 -5.285) 5.618 6.458 ( 5.899 4.876 -21.277) 22.611 6.867 ( 4.001 1.097 -9.850) 10.688 7.179 ( -2.858 -0.705 -6.843) 7.450 8.026 ( -0.454 -9.452 -6.449) 11.452 8.755 ( 4.224 8.649 -2.543) 9.956 9.243 ( 4.806 0.034 -8.623) 9.872 9.443 ( 1.218 2.770 -8.222) 8.761 9.766 ( -1.631 0.709 -11.895) 12.028 10.226 ( 2.932 8.297 -2.822) 9.241 10.675 ( 2.082 0.827 -2.992) 3.738 12.094 ( -5.170 4.264 16.704) 17.999 13.127 ( -0.820 -1.986 -5.577) 5.977 13.701 ( -0.458 -0.812 -2.978) 3.121 13.901 ( 1.687 -18.694 8.434) 20.577 14.028 ( -1.177 -5.665 -3.015) 6.524 14.695 ( -3.712 -6.882 -0.315) 7.825 15.973 ( 9.221 14.223 0.950) 16.977 16.262 ( 0.869 5.591 4.299) 7.106 24.168 ( -2.498 0.069 4.022) 4.735 24.420 ( 5.552 -3.862 -1.259) 6.879 25.020 ( -0.097 -4.471 -0.663) 4.521 25.439 ( 10.589 5.084 -4.064) 12.429 25.945 ( -7.661 -4.642 10.415) 13.737 26.076 ( 0.274 -11.270 7.874) 13.750 27.344 ( 7.741 7.653 -5.527) 12.208 28.054 ( -8.327 9.741 -11.746) 17.384 ======================= Grid point 141 (51/216) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -9.808 4.039 10.860) 15.180 1.944 ( -8.449 16.652 6.128) 19.653 2.364 ( -0.805 -6.579 -1.602) 6.819 2.485 ( 2.337 8.378 -3.041) 9.214 2.701 ( 1.362 -6.037 8.345) 10.389 2.832 ( 3.266 1.864 0.255) 3.769 2.929 ( 2.689 -3.877 7.033) 8.469 3.257 ( 4.930 1.422 12.399) 13.419 3.510 ( -7.499 10.423 12.220) 17.725 3.785 ( -0.692 -3.771 -2.946) 4.835 4.232 ( -9.132 5.654 9.605) 14.409 4.665 ( -5.358 -1.574 8.574) 10.232 5.069 ( 1.103 7.503 5.661) 9.464 5.414 ( -7.937 1.639 1.941) 8.334 5.895 ( 3.400 5.986 8.870) 11.228 6.082 ( 0.216 2.131 -1.561) 2.650 6.205 ( 8.705 8.584 -15.934) 20.083 6.726 ( 4.507 -1.547 -8.802) 10.009 7.162 ( -3.556 -2.179 -3.731) 5.596 7.937 ( -2.489 -6.953 -3.534) 8.187 8.671 ( 6.918 2.711 -9.609) 12.146 9.076 ( 4.223 -2.358 -4.390) 6.532 9.480 ( -0.292 2.974 -0.124) 2.991 9.742 ( -7.092 5.223 -14.889) 17.299 10.229 ( 4.293 8.674 -3.714) 10.367 10.622 ( 3.374 1.081 -1.935) 4.037 12.336 ( -5.138 4.003 14.301) 15.715 13.065 ( 0.786 -2.402 -4.388) 5.063 13.614 ( 4.389 -5.452 -4.240) 8.183 13.819 ( -3.859 -10.114 3.799) 11.473 14.002 ( -1.544 -3.219 -0.556) 3.613 14.687 ( -4.816 -7.222 -1.767) 8.859 15.973 ( 7.627 10.124 1.827) 12.807 16.315 ( 2.002 3.384 4.121) 5.696 24.240 ( -2.630 -0.147 3.227) 4.166 24.296 ( 4.523 -3.366 0.047) 5.639 24.966 ( 1.611 -2.064 -4.683) 5.365 25.286 ( 7.887 3.386 -5.053) 9.960 26.001 ( 11.111 4.237 15.330) 19.402 26.156 ( -19.519 -18.393 5.187) 27.317 27.245 ( 9.957 10.340 -6.711) 15.846 28.161 ( -6.751 4.672 -7.859) 11.366 ======================= Grid point 142 (52/216) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -5.317 0.862 5.460) 7.670 2.159 ( 2.591 -1.656 0.017) 3.075 2.300 ( -5.403 5.665 1.330) 7.941 2.543 ( -0.765 5.336 0.701) 5.436 2.636 ( 5.993 -2.884 -4.248) 7.892 2.783 ( 1.158 -2.071 4.510) 5.096 2.982 ( -0.890 0.072 7.542) 7.595 3.233 ( 8.333 0.217 9.573) 12.694 3.695 ( 1.420 -3.190 -7.099) 7.911 3.791 ( -4.664 8.284 10.717) 14.326 4.442 ( -2.062 5.238 6.996) 8.980 4.828 ( -6.715 2.323 7.335) 10.212 5.094 ( 6.089 -0.682 3.113) 6.873 5.481 ( -1.915 -3.012 -1.187) 3.761 5.848 ( 9.430 2.897 -13.863) 17.015 5.924 ( 4.248 4.838 1.144) 6.540 6.322 ( -4.062 7.381 3.835) 9.256 6.594 ( 3.809 -1.299 -3.374) 5.252 7.235 ( -7.706 0.781 3.539) 8.515 7.881 ( 3.022 -1.269 -3.178) 4.565 8.529 ( -0.193 -3.391 -6.871) 7.665 9.025 ( -0.856 -0.545 -0.753) 1.264 9.456 ( 1.697 -0.215 -3.132) 3.569 9.832 ( -3.953 8.000 -5.781) 10.632 10.204 ( 1.174 4.731 -6.155) 7.852 10.568 ( 3.985 0.648 0.678) 4.094 12.500 ( -1.408 0.803 5.998) 6.213 13.018 ( 0.116 -0.851 0.278) 0.902 13.482 ( 1.700 -6.576 0.010) 6.792 13.842 ( -3.531 0.393 -3.044) 4.679 14.001 ( -1.994 -3.339 1.513) 4.173 14.680 ( -5.490 -7.226 -2.889) 9.523 15.948 ( 7.134 5.942 0.987) 9.337 16.325 ( 2.913 1.125 2.603) 4.065 24.200 ( 2.603 -1.055 -0.671) 2.887 24.325 ( -2.828 -0.793 4.538) 5.405 24.855 ( 6.364 -0.121 -3.791) 7.408 25.220 ( -2.542 0.887 -7.717) 8.173 25.969 ( 12.530 1.516 15.765) 20.195 26.334 ( -18.248 -13.808 4.898) 23.402 27.140 ( 11.175 13.677 -7.528) 19.200 28.219 ( -4.698 -0.446 -5.048) 6.910 ======================= Grid point 143 (53/216) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 3.957 -8.902 -2.204) 9.988 2.090 ( -0.525 -0.728 -0.229) 0.927 2.407 ( 6.913 -2.895 -2.295) 7.838 2.511 ( -2.916 8.237 -2.446) 9.074 2.646 ( -4.529 3.812 1.944) 6.231 2.783 ( 0.872 -3.499 3.632) 5.118 3.008 ( 5.461 2.705 3.784) 7.174 3.186 ( 6.326 1.629 6.685) 9.347 3.602 ( 1.184 -1.948 -6.521) 6.908 3.966 ( -0.429 6.190 8.394) 10.438 4.476 ( 6.596 1.761 2.291) 7.201 4.902 ( 11.357 -5.081 0.130) 12.442 5.025 ( -5.624 3.212 3.297) 7.268 5.437 ( -2.793 -8.068 -1.857) 8.737 5.690 ( 4.959 4.299 -10.594) 12.462 5.892 ( 2.729 0.156 -3.140) 4.163 6.395 ( 3.708 -0.373 2.291) 4.375 6.581 ( -2.591 4.813 2.694) 6.094 7.417 ( -3.055 5.901 6.616) 9.377 7.804 ( 0.822 3.397 -3.316) 4.818 8.529 ( -6.374 -6.279 1.786) 9.124 9.066 ( -4.231 -0.129 2.261) 4.799 9.421 ( -0.293 1.298 -2.773) 3.076 9.849 ( 5.813 4.648 -1.815) 7.661 10.219 ( -4.834 0.518 -3.853) 6.203 10.529 ( 2.759 -0.473 2.833) 3.983 12.454 ( 4.589 -3.994 -5.508) 8.206 13.071 ( -1.695 1.947 7.411) 7.848 13.468 ( -3.444 -2.585 3.747) 5.708 13.870 ( -2.436 6.589 -10.269) 12.442 14.028 ( -2.121 -2.975 5.359) 6.486 14.674 ( -5.831 -7.209 -3.812) 10.025 15.879 ( 7.053 1.778 -0.398) 7.285 16.288 ( 3.466 -0.898 0.325) 3.595 24.185 ( -0.446 1.423 0.548) 1.589 24.374 ( 0.200 -0.263 2.410) 2.433 24.761 ( 1.913 -0.996 0.333) 2.182 25.236 ( -7.154 0.499 -10.091) 12.380 25.885 ( 14.387 -0.389 14.037) 20.104 26.526 ( -17.261 -10.462 4.405) 20.659 27.050 ( 12.062 17.505 -7.272) 22.468 28.216 ( -2.726 -5.885 -2.681) 7.018 ======================= Grid point 144 (54/216) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 6.667 -11.669 -2.914) 13.752 1.969 ( 10.426 -4.359 -8.178) 13.949 2.328 ( -1.825 -0.658 0.851) 2.118 2.609 ( -0.643 6.912 0.386) 6.952 2.729 ( -1.877 -0.222 -3.171) 3.692 2.754 ( 0.275 1.201 -2.432) 2.727 2.991 ( 6.765 4.905 11.031) 13.839 3.158 ( 5.440 2.732 2.425) 6.552 3.481 ( 5.998 -4.276 -6.348) 9.724 4.047 ( 4.454 6.409 1.446) 7.937 4.334 ( 10.323 -2.506 1.114) 10.681 4.675 ( 9.749 -6.124 0.008) 11.513 5.047 ( 6.791 0.606 -4.702) 8.282 5.496 ( -12.925 -5.539 1.034) 14.100 5.575 ( 5.219 1.931 -8.001) 9.746 5.808 ( -0.819 -4.819 -5.407) 7.289 6.293 ( 6.198 -3.475 2.961) 7.698 6.768 ( -8.031 7.517 5.707) 12.392 7.466 ( 7.321 6.501 4.318) 10.701 7.936 ( -9.675 6.047 1.984) 11.580 8.580 ( -5.084 -5.903 2.649) 8.228 9.180 ( -4.998 1.433 6.781) 8.545 9.462 ( -3.660 2.576 0.930) 4.572 9.749 ( 7.495 -0.550 -0.759) 7.554 10.262 ( -1.679 -2.012 2.092) 3.353 10.533 ( -1.761 -0.867 2.307) 3.029 12.256 ( 7.328 -4.640 -9.652) 12.976 13.187 ( -1.579 2.614 9.989) 10.446 13.568 ( -6.112 -0.787 5.028) 7.953 13.880 ( -2.348 9.042 -15.255) 17.888 14.092 ( -1.832 0.165 6.967) 7.206 14.663 ( -5.940 -7.508 -4.600) 10.621 15.761 ( 7.118 -2.350 -1.662) 7.678 16.213 ( 3.489 -2.382 -1.892) 4.629 24.242 ( -3.122 2.926 1.267) 4.462 24.337 ( 5.002 0.502 -0.765) 5.085 24.812 ( -7.152 -2.179 5.639) 9.365 25.281 ( -8.163 1.009 -10.807) 13.582 25.744 ( 14.841 -2.005 10.044) 18.032 26.729 ( -16.229 -7.348 3.667) 18.189 26.989 ( 13.275 21.487 -5.691) 25.890 28.151 ( -0.987 -11.652 -0.686) 11.714 ======================= Grid point 145 (55/216) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 11.396 -13.152 -2.551) 17.588 1.648 ( 16.956 -3.703 -9.153) 19.621 2.372 ( -2.702 -2.890 1.888) 4.384 2.639 ( 5.399 3.622 2.292) 6.893 2.708 ( 2.382 6.116 -9.284) 11.370 2.769 ( -1.264 4.868 -2.175) 5.480 2.976 ( 9.647 -2.793 3.654) 10.687 3.126 ( 2.884 2.135 0.962) 3.715 3.276 ( 8.698 -4.994 5.067) 11.237 3.851 ( 16.543 4.177 -16.971) 24.065 4.290 ( 2.036 -0.833 10.374) 10.605 4.502 ( 5.296 -4.510 -1.849) 7.197 4.857 ( 8.539 -2.195 -7.147) 11.350 5.429 ( 7.909 -1.278 -4.623) 9.249 5.480 ( 5.340 -4.848 -6.898) 9.981 5.938 ( -21.267 -2.461 1.452) 21.458 6.258 ( -0.526 -2.071 5.853) 6.231 7.020 ( -10.284 5.540 7.385) 13.820 7.430 ( 7.067 2.910 3.628) 8.460 8.145 ( -6.619 7.060 2.743) 10.059 8.621 ( -4.577 -3.874 1.263) 6.128 9.336 ( -1.838 5.826 9.264) 11.097 9.565 ( -4.091 1.704 2.877) 5.284 9.629 ( 3.522 -5.772 1.911) 7.026 10.266 ( 1.086 -2.354 4.362) 5.074 10.594 ( -4.816 -0.647 1.327) 5.037 12.025 ( 8.249 -3.111 -9.432) 12.910 13.317 ( -1.069 2.680 12.415) 12.745 13.682 ( -4.826 -1.071 3.927) 6.313 13.874 ( -2.821 9.276 -18.827) 21.177 14.194 ( -2.580 3.536 6.270) 7.646 14.644 ( -5.916 -8.170 -4.988) 11.252 15.596 ( 7.343 -6.284 -2.335) 9.942 16.118 ( 2.909 -2.962 -3.085) 5.172 24.244 ( 5.698 0.333 -1.381) 5.873 24.343 ( -4.877 2.691 1.159) 5.689 24.999 ( -11.938 -1.461 8.543) 14.752 25.330 ( -6.322 2.144 -9.416) 11.542 25.564 ( 11.870 -3.842 3.867) 13.062 26.932 ( -11.200 -0.430 2.078) 11.400 26.959 ( 11.471 21.058 -2.751) 24.137 28.022 ( 0.344 -17.248 0.869) 17.274 ======================= Grid point 146 (56/216) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 17.750 -10.708 -1.983) 20.824 1.265 ( 21.766 -2.364 -6.413) 22.814 2.370 ( 2.591 -2.786 2.001) 4.299 2.372 ( 35.695 -0.488 -7.983) 36.580 2.546 ( 11.044 0.806 0.017) 11.073 2.810 ( 0.480 2.095 -0.777) 2.286 2.902 ( -8.436 -2.418 -4.172) 9.717 3.122 ( -1.410 1.132 0.317) 1.836 3.253 ( 10.996 3.970 12.237) 16.924 3.561 ( 0.915 1.255 -17.039) 17.109 4.228 ( 14.067 -0.181 5.533) 15.117 4.476 ( -6.967 -2.713 -1.620) 7.649 4.690 ( 4.500 -1.667 -3.788) 6.114 5.224 ( 12.079 -1.692 -2.885) 12.533 5.329 ( 3.343 -3.773 -3.570) 6.177 6.241 ( -9.172 5.598 2.560) 11.046 6.354 ( -15.156 -6.324 3.379) 16.767 7.280 ( -7.441 2.384 10.612) 13.178 7.371 ( 1.851 0.690 -0.383) 2.012 8.311 ( -5.169 6.168 2.073) 8.310 8.675 ( -3.617 -1.042 3.372) 5.054 9.366 ( 9.806 0.392 5.397) 11.200 9.603 ( 1.640 2.333 0.487) 2.893 9.689 ( -10.769 -3.274 4.373) 12.075 10.270 ( -0.328 -0.935 2.731) 2.905 10.670 ( -4.288 -0.266 0.921) 4.393 11.820 ( 7.947 -1.160 -6.116) 10.095 13.462 ( -0.353 2.617 16.945) 17.150 13.748 ( -2.186 -0.349 1.558) 2.706 13.840 ( -3.050 7.751 -23.153) 24.606 14.321 ( -3.748 3.747 4.453) 6.922 14.619 ( -5.602 -8.102 -4.076) 10.660 15.392 ( 7.980 -8.732 -1.934) 11.987 16.034 ( 1.865 -2.216 -2.489) 3.819 24.158 ( 4.545 0.119 -0.981) 4.651 24.451 ( -5.578 1.384 0.872) 5.813 25.239 ( -4.812 3.329 7.764) 9.722 25.325 ( 3.390 -1.839 3.128) 4.966 25.444 ( -8.738 -3.591 -10.565) 14.173 26.934 ( 16.899 24.635 -1.098) 29.895 27.128 ( -12.581 -2.276 1.468) 12.869 27.847 ( 1.065 -19.136 1.831) 19.252 ======================= Grid point 150 (57/216) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 0.000 28.703 13.325) 31.645 0.972 ( 0.000 10.891 21.618) 24.206 2.097 ( 0.000 3.607 26.308) 26.554 2.207 ( 0.000 10.762 33.598) 35.279 2.217 ( 0.000 12.091 -6.721) 13.833 3.000 ( -0.000 -5.973 0.114) 5.974 3.048 ( -0.000 1.453 23.466) 23.511 3.171 ( -0.000 -4.348 -1.375) 4.560 3.509 ( -0.000 -2.806 17.794) 18.013 3.671 ( -0.000 -1.594 -3.147) 3.528 3.906 ( -0.000 -2.151 0.702) 2.263 4.639 ( -0.000 -0.631 -0.567) 0.848 4.741 ( 0.000 4.154 3.466) 5.409 4.784 ( 0.000 4.255 6.698) 7.936 5.665 ( 0.000 8.226 15.554) 17.595 5.732 ( 0.000 28.701 -10.688) 30.626 6.389 ( -0.000 -6.578 -12.784) 14.377 6.909 ( 0.000 9.483 -8.624) 12.818 7.041 ( 0.000 3.049 -6.694) 7.355 8.219 ( -0.000 -10.519 -11.306) 15.442 8.666 ( 0.000 6.694 11.056) 12.925 9.060 ( 0.000 9.934 -13.688) 16.913 9.540 ( 0.000 -1.163 -24.046) 24.074 9.918 ( -0.000 -6.541 -7.478) 9.935 10.147 ( 0.000 6.219 -6.550) 9.032 10.689 ( 0.000 0.561 -3.640) 3.683 11.969 ( -0.000 0.331 21.174) 21.177 13.106 ( -0.000 -0.295 -2.760) 2.776 13.683 ( 0.000 1.559 -6.240) 6.432 14.190 ( -0.000 -7.211 -10.307) 12.579 14.360 ( -0.000 -32.331 19.232) 37.619 14.772 ( -0.000 -7.117 3.707) 8.024 15.870 ( 0.000 28.808 -6.486) 29.529 16.083 ( 0.000 5.970 1.911) 6.268 24.128 ( -0.000 -0.140 4.428) 4.430 24.587 ( -0.000 -2.343 -1.144) 2.607 25.411 ( -0.000 -11.649 3.307) 12.109 25.431 ( -0.000 -2.008 0.184) 2.016 25.841 ( -0.000 -15.477 16.834) 22.867 26.345 ( -0.000 -2.406 2.320) 3.342 27.364 ( 0.000 4.280 -6.004) 7.373 27.467 ( 0.000 29.470 -19.030) 35.080 ======================= Grid point 151 (58/216) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -8.452 12.510 16.081) 22.057 1.353 ( -5.717 23.012 14.168) 27.622 2.198 ( -4.026 3.065 -0.162) 5.063 2.311 ( -2.235 13.578 -4.256) 14.404 2.769 ( -7.063 12.977 40.080) 42.717 2.922 ( 3.347 -7.370 7.670) 11.150 3.098 ( 1.343 -5.211 -0.240) 5.387 3.168 ( 6.950 -1.146 14.537) 16.154 3.559 ( 5.704 0.408 14.612) 15.691 3.715 ( -6.051 -3.081 1.572) 6.969 3.917 ( -4.688 -1.387 4.923) 6.938 4.677 ( -2.473 -7.461 6.092) 9.945 4.906 ( -8.358 6.810 3.441) 11.317 4.928 ( -6.018 9.501 8.343) 14.003 5.795 ( 4.360 14.937 10.843) 18.966 5.941 ( -3.792 8.491 -4.974) 10.546 6.272 ( -2.802 -0.867 -16.216) 16.479 6.847 ( 6.870 6.722 -9.771) 13.706 7.060 ( -3.338 3.542 -7.059) 8.574 8.032 ( -0.337 -9.609 -12.348) 15.650 8.764 ( 4.755 6.117 4.600) 9.010 9.078 ( -6.601 7.507 -12.927) 16.341 9.349 ( -0.570 -0.398 -22.506) 22.517 9.725 ( 4.782 -5.767 -13.492) 15.432 10.181 ( 3.947 10.883 0.430) 11.585 10.661 ( 1.139 1.591 -3.905) 4.368 12.161 ( -2.516 0.882 21.857) 22.019 13.093 ( -0.983 -0.744 -2.766) 3.029 13.649 ( -0.141 1.950 -6.964) 7.234 14.027 ( 0.703 -8.968 -10.579) 13.886 14.228 ( 0.906 -23.279 15.357) 27.903 14.730 ( -2.260 -9.677 1.584) 10.062 15.968 ( 8.441 18.299 0.166) 20.153 16.205 ( -3.067 8.090 1.506) 8.782 24.172 ( -1.242 -0.145 4.783) 4.944 24.521 ( 3.887 -3.230 -1.150) 5.183 25.163 ( 10.459 -8.043 2.967) 13.524 25.489 ( 1.724 1.798 -1.206) 2.768 25.940 ( -10.859 -12.139 11.414) 19.888 26.270 ( 6.389 -4.007 5.154) 9.134 27.328 ( 4.638 6.370 -6.831) 10.428 27.664 ( -11.409 18.266 -14.777) 26.118 ======================= Grid point 152 (59/216) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -11.537 5.978 13.259) 18.565 1.732 ( -4.446 20.573 11.137) 23.813 2.290 ( -4.392 4.528 -2.250) 6.697 2.418 ( -1.023 8.492 -4.529) 9.678 2.823 ( 1.093 -6.409 1.859) 6.762 2.970 ( 7.532 -2.901 7.899) 11.293 3.075 ( 7.570 -4.225 4.169) 9.620 3.341 ( -5.922 8.176 31.135) 32.731 3.558 ( 6.602 1.251 11.083) 12.961 3.757 ( -1.848 -1.359 -4.234) 4.815 4.128 ( -10.603 2.823 13.183) 17.152 4.709 ( -2.052 -4.299 9.379) 10.519 5.063 ( -0.472 7.285 9.456) 11.947 5.246 ( -13.501 5.028 5.550) 15.439 5.957 ( 1.520 2.087 -2.705) 3.739 5.983 ( -0.959 14.050 10.021) 17.284 6.139 ( 5.978 3.031 -19.150) 20.289 6.714 ( 6.552 4.663 -10.595) 13.301 7.079 ( -3.394 0.913 -5.579) 6.594 7.889 ( -3.898 -7.080 -11.313) 13.904 8.702 ( 7.308 1.900 -5.136) 9.133 9.119 ( -0.742 -1.515 -6.965) 7.166 9.315 ( -8.921 9.390 -8.110) 15.281 9.512 ( -0.319 -4.023 -19.495) 19.908 10.211 ( 7.460 12.214 0.509) 14.321 10.627 ( 2.446 3.028 -3.019) 4.926 12.381 ( -3.533 0.826 20.173) 20.497 13.069 ( 0.370 -1.544 -1.963) 2.525 13.612 ( 0.930 2.590 -7.465) 7.956 13.855 ( -0.306 -9.187 -10.079) 13.641 14.138 ( -0.111 -17.234 11.636) 20.794 14.689 ( -4.247 -10.581 -0.487) 11.412 15.999 ( 7.713 12.907 2.223) 15.200 16.313 ( -0.181 6.549 2.400) 6.977 24.232 ( -1.981 -0.079 4.085) 4.540 24.407 ( 5.520 -3.525 -0.419) 6.563 25.005 ( 4.138 -5.019 -1.271) 6.628 25.389 ( 12.510 5.013 -2.583) 13.722 26.082 ( -15.873 -16.198 6.987) 23.731 26.224 ( 5.498 -0.316 11.566) 12.810 27.241 ( 7.991 8.023 -7.963) 13.843 27.879 ( -11.529 10.824 -10.504) 18.985 ======================= Grid point 153 (60/216) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -7.360 0.376 9.929) 12.365 2.046 ( -5.500 16.107 7.102) 18.443 2.333 ( -0.181 -5.650 -2.380) 6.134 2.431 ( 1.857 10.752 -4.120) 11.664 2.785 ( 3.942 -4.710 3.694) 7.168 2.847 ( 7.233 -0.559 2.012) 7.528 3.037 ( -1.171 -2.897 5.702) 6.503 3.461 ( 8.815 -1.441 11.852) 14.840 3.681 ( 2.211 -0.519 -7.221) 7.570 3.757 ( -4.014 7.138 18.177) 19.937 4.397 ( -5.503 6.253 10.757) 13.605 4.805 ( -3.473 -0.099 9.011) 9.658 5.188 ( 1.474 3.013 9.548) 10.120 5.443 ( -5.031 0.436 1.775) 5.352 5.852 ( 12.151 4.580 -20.117) 23.944 5.936 ( 2.145 2.286 -3.769) 4.902 6.224 ( -3.222 11.231 10.266) 15.553 6.599 ( 3.202 2.618 -7.601) 8.654 7.129 ( -7.063 0.048 -0.515) 7.082 7.850 ( -3.909 -1.738 -6.721) 7.967 8.536 ( 4.664 -3.208 -7.156) 9.125 9.066 ( 2.629 -1.536 2.902) 4.206 9.368 ( -4.328 -1.985 -19.136) 19.720 9.550 ( -14.028 9.491 -4.964) 17.649 10.178 ( 8.865 9.712 -2.991) 13.486 10.602 ( 3.457 4.277 -0.517) 5.524 12.559 ( -1.417 -1.452 14.083) 14.228 13.038 ( 0.539 -1.114 1.287) 1.786 13.542 ( 2.924 -0.465 -5.141) 5.933 13.740 ( -2.775 -3.156 -10.533) 11.340 14.091 ( -1.598 -12.293 8.539) 15.053 14.657 ( -5.695 -10.583 -2.018) 12.187 16.002 ( 7.423 8.739 1.793) 11.605 16.365 ( 2.324 4.051 2.383) 5.243 24.249 ( 2.664 -1.265 -0.949) 3.098 24.340 ( -0.262 -1.203 4.422) 4.590 24.903 ( 2.601 -2.875 -3.454) 5.192 25.218 ( 10.384 3.394 -3.792) 11.564 26.216 ( -13.429 -18.131 5.766) 23.288 26.256 ( 4.172 4.515 14.506) 15.755 27.122 ( 9.724 10.204 -9.427) 16.958 28.044 ( -9.427 4.913 -7.106) 12.787 ======================= Grid point 154 (61/216) ======================= q-point: ( 0.64 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -2.647 -3.598 5.304) 6.934 2.156 ( 4.847 -6.669 -0.357) 8.253 2.333 ( -4.325 10.767 2.785) 11.933 2.507 ( -0.488 8.581 -4.096) 9.521 2.603 ( 9.072 -3.276 -0.697) 9.671 2.844 ( -0.249 -2.593 2.453) 3.578 3.081 ( 0.468 0.399 5.786) 5.819 3.378 ( 10.550 -0.538 8.271) 13.417 3.578 ( 2.136 -0.034 -7.147) 7.459 3.971 ( -0.733 5.733 11.105) 12.519 4.552 ( 2.260 5.421 8.410) 10.258 4.938 ( -5.191 1.920 6.411) 8.470 5.142 ( 10.996 -3.352 1.705) 11.621 5.453 ( -0.526 -4.684 -3.952) 6.151 5.634 ( 5.312 6.487 -9.901) 12.974 5.895 ( 1.999 1.185 -4.982) 5.497 6.399 ( -1.041 7.131 5.277) 8.932 6.556 ( 1.322 2.273 -1.852) 3.216 7.302 ( -11.289 2.824 4.630) 12.524 7.790 ( 7.168 4.954 -7.452) 11.465 8.498 ( -8.631 -7.559 3.157) 11.899 9.054 ( 0.887 -0.204 3.615) 3.728 9.308 ( -6.511 -0.040 -15.087) 16.432 9.793 ( -8.262 6.914 0.487) 10.784 10.100 ( 3.837 5.531 -6.958) 9.682 10.589 ( 3.889 3.586 1.736) 5.568 12.561 ( 4.588 -6.425 2.128) 8.177 13.090 ( -1.719 1.800 8.716) 9.065 13.479 ( 0.236 -1.312 -0.379) 1.386 13.698 ( -2.782 2.695 -12.431) 13.021 14.089 ( -2.393 -7.486 6.595) 10.260 14.635 ( -6.507 -10.292 -2.916) 12.520 15.961 ( 7.580 4.892 0.684) 9.048 16.354 ( 4.238 1.452 1.296) 4.663 24.189 ( 2.138 0.180 -0.741) 2.270 24.391 ( -1.101 0.096 3.740) 3.900 24.816 ( 3.088 -1.726 -1.259) 3.755 25.109 ( 1.462 1.146 -6.524) 6.783 26.209 ( 10.493 -1.792 14.388) 17.898 26.406 ( -14.639 -9.681 5.101) 18.277 27.006 ( 9.890 13.672 -9.886) 19.556 28.145 ( -7.147 -0.801 -4.283) 8.370 ======================= Grid point 155 (62/216) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 4.727 -12.791 0.531) 13.646 2.071 ( 4.253 -2.639 -2.170) 5.455 2.366 ( 6.068 -1.968 -2.099) 6.716 2.494 ( -1.233 10.620 -0.224) 10.694 2.656 ( -5.235 3.047 -0.197) 6.060 2.791 ( 5.050 -0.706 -1.778) 5.401 3.130 ( 1.891 2.054 10.056) 10.437 3.277 ( 9.960 1.458 5.370) 11.409 3.497 ( 2.436 0.151 -7.460) 7.849 4.060 ( 2.386 4.903 3.135) 6.290 4.542 ( 10.728 0.584 6.382) 12.496 4.911 ( 13.064 -3.655 0.374) 13.571 5.069 ( -1.105 2.247 2.430) 3.489 5.362 ( -5.312 -5.750 -8.512) 11.564 5.594 ( 2.941 1.149 -0.300) 3.172 5.816 ( 1.594 -2.404 -5.920) 6.586 6.435 ( 5.249 -2.190 2.515) 6.219 6.608 ( -5.204 7.831 0.728) 9.430 7.513 ( 1.448 8.841 5.916) 10.736 7.729 ( -5.457 6.351 -5.820) 10.197 8.597 ( -6.661 -8.990 5.686) 12.550 9.118 ( -5.683 0.435 3.901) 6.907 9.342 ( -7.139 3.586 -6.633) 10.384 9.850 ( 7.177 3.102 1.542) 7.969 10.141 ( -10.195 1.760 -5.282) 11.616 10.575 ( 3.031 1.131 2.512) 4.096 12.382 ( 8.035 -7.847 -3.448) 11.749 13.218 ( -1.365 3.172 11.098) 11.623 13.516 ( -4.333 0.355 2.334) 4.935 13.673 ( -2.313 4.898 -13.594) 14.633 14.121 ( -1.995 -2.665 5.116) 6.104 14.618 ( -6.804 -10.127 -3.175) 12.607 15.873 ( 7.802 1.108 -0.257) 7.884 16.288 ( 5.226 -0.784 -0.183) 5.288 24.190 ( -0.880 2.463 0.134) 2.619 24.400 ( 3.646 1.097 0.952) 3.924 24.797 ( -2.880 -2.606 3.888) 5.496 25.086 ( -4.948 0.434 -8.864) 10.161 26.088 ( 16.565 -1.019 11.138) 19.988 26.584 ( -16.136 -9.191 3.140) 18.834 26.934 ( 10.264 18.205 -7.259) 22.124 28.179 ( -4.985 -6.661 -2.000) 8.557 ======================= Grid point 156 (63/216) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 6.180 -14.936 0.261) 16.166 1.860 ( 13.728 -3.345 -4.904) 14.957 2.343 ( -3.298 -1.322 0.746) 3.631 2.592 ( -2.120 6.277 -1.650) 6.827 2.698 ( 3.262 1.963 -0.022) 3.807 2.716 ( 2.792 4.868 -1.971) 5.948 3.182 ( 6.348 2.088 3.881) 7.728 3.199 ( 8.449 2.402 9.381) 12.851 3.381 ( 1.586 -2.787 -6.925) 7.632 4.001 ( 15.048 5.525 -3.921) 16.503 4.387 ( 6.355 -4.750 3.026) 8.492 4.713 ( 13.728 -1.128 3.940) 14.327 4.963 ( 8.464 -2.758 -5.391) 10.407 5.461 ( -7.731 1.362 -2.349) 8.194 5.522 ( 3.024 -4.978 -1.192) 5.945 5.750 ( -6.002 -6.784 -1.784) 9.232 6.335 ( 4.294 -2.766 1.825) 5.424 6.816 ( -10.853 7.360 1.110) 13.160 7.519 ( 8.213 8.080 2.073) 11.706 7.948 ( -11.497 8.259 0.117) 14.157 8.615 ( -3.758 -7.395 1.412) 8.414 9.265 ( -8.443 1.232 3.395) 9.183 9.474 ( -5.895 5.860 0.437) 8.323 9.749 ( 6.771 -1.470 0.391) 6.940 10.263 ( -6.541 -0.714 -0.753) 6.623 10.566 ( -0.354 -0.833 1.422) 1.685 12.154 ( 9.249 -6.340 -3.468) 11.737 13.357 ( -1.359 4.258 11.018) 11.890 13.623 ( -6.371 0.046 1.930) 6.657 13.649 ( -1.582 5.811 -13.237) 14.542 14.175 ( -1.489 1.791 3.214) 3.970 14.605 ( -6.753 -10.255 -2.456) 12.522 15.743 ( 7.925 -2.723 -0.598) 8.401 16.189 ( 5.014 -2.333 -0.932) 5.608 24.255 ( -3.459 3.426 0.407) 4.885 24.327 ( 6.595 1.049 -0.405) 6.690 24.914 ( -9.949 -3.007 6.620) 12.323 25.121 ( -7.481 0.890 -8.601) 11.434 25.872 ( 18.216 -1.474 5.065) 18.965 26.770 ( -16.056 -7.272 1.601) 17.698 26.915 ( 12.289 22.798 -3.144) 26.089 28.141 ( -2.969 -12.638 -0.448) 12.990 ======================= Grid point 157 (64/216) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 11.310 -14.863 -0.000) 18.677 1.569 ( 18.153 -2.770 -0.000) 18.363 2.388 ( -3.631 -3.203 0.000) 4.842 2.634 ( 4.911 7.384 0.000) 8.868 2.658 ( 6.160 1.953 -0.000) 6.462 2.745 ( -0.811 7.189 0.000) 7.234 3.000 ( 15.057 -7.823 -0.000) 16.968 3.128 ( 3.862 2.094 -0.000) 4.393 3.393 ( -4.740 -1.615 0.000) 5.008 3.654 ( 28.348 4.593 -0.000) 28.718 4.383 ( -6.542 -3.581 0.000) 7.458 4.493 ( 16.357 -0.073 -0.000) 16.358 4.788 ( 7.185 -3.272 -0.000) 7.895 5.406 ( 10.194 -1.444 -0.000) 10.295 5.409 ( 3.310 -5.821 -0.000) 6.696 5.950 ( -22.139 -2.245 0.000) 22.252 6.307 ( -1.789 -1.842 0.000) 2.568 7.071 ( -14.176 4.910 0.000) 15.002 7.462 ( 7.730 3.419 -0.000) 8.452 8.165 ( -6.536 8.518 0.000) 10.737 8.631 ( -5.090 -4.161 0.000) 6.574 9.423 ( -3.846 5.449 0.000) 6.670 9.585 ( -1.078 5.034 0.000) 5.148 9.647 ( 0.009 -7.103 -0.000) 7.103 10.295 ( -0.337 -1.990 -0.000) 2.019 10.605 ( -4.732 -0.777 0.000) 4.795 11.951 ( 9.208 -3.681 -0.000) 9.916 13.488 ( -2.498 4.526 0.000) 5.170 13.645 ( 0.076 6.234 0.000) 6.235 13.718 ( -5.230 -1.062 0.000) 5.337 14.248 ( -2.288 4.838 0.000) 5.351 14.599 ( -6.406 -10.166 -0.000) 12.016 15.578 ( 7.914 -6.457 -0.000) 10.214 16.092 ( 3.706 -2.914 -0.000) 4.714 24.233 ( 6.141 0.509 -0.000) 6.162 24.352 ( -5.097 2.774 0.000) 5.803 25.115 ( -15.102 -2.812 0.000) 15.361 25.199 ( -6.197 2.356 0.000) 6.630 25.606 ( 16.215 -2.576 -0.000) 16.418 26.927 ( 15.055 26.601 0.000) 30.565 26.956 ( -15.028 -4.939 0.000) 15.818 28.028 ( -1.158 -18.080 -0.000) 18.117 ======================= Grid point 160 (65/216) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 17.538 0.000 10.787) 20.590 1.263 ( 18.973 0.000 19.325) 27.082 2.156 ( 5.238 -0.000 -7.376) 9.047 2.355 ( 12.737 0.000 -0.068) 12.737 2.442 ( 21.019 0.000 39.606) 44.838 2.979 ( -4.682 0.000 12.132) 13.004 3.075 ( -1.110 -0.000 -1.479) 1.849 3.136 ( -3.551 -0.000 -0.495) 3.585 3.302 ( -10.790 0.000 13.192) 17.043 3.889 ( 8.287 -0.000 -6.861) 10.759 3.909 ( 2.567 0.000 13.228) 13.474 4.632 ( -5.040 0.000 5.965) 7.810 4.786 ( 2.271 0.000 8.881) 9.167 5.188 ( 15.892 0.000 8.186) 17.877 5.403 ( 3.584 0.000 7.828) 8.610 5.977 ( 10.859 -0.000 -16.669) 19.894 6.505 ( -16.546 -0.000 -7.172) 18.033 6.699 ( 11.097 -0.000 -26.252) 28.501 7.156 ( 8.487 -0.000 -8.941) 12.328 8.263 ( -4.259 -0.000 -11.783) 12.529 8.592 ( 0.733 0.000 6.496) 6.537 9.161 ( 12.146 -0.000 -3.546) 12.653 9.511 ( -3.796 -0.000 -18.026) 18.422 9.669 ( -14.106 -0.000 0.030) 14.106 10.067 ( 0.102 -0.000 -15.669) 15.669 10.652 ( -2.133 -0.000 -4.662) 5.126 12.045 ( 4.504 0.000 20.374) 20.866 13.170 ( 1.892 -0.000 -6.751) 7.011 13.656 ( -0.803 -0.000 -6.964) 7.010 14.204 ( -3.083 -0.000 -10.858) 11.287 14.632 ( -14.252 0.000 17.912) 22.890 14.786 ( -3.708 0.000 6.192) 7.217 15.352 ( 6.001 0.000 9.529) 11.261 16.094 ( 1.709 0.000 2.779) 3.262 24.164 ( 2.322 0.000 3.990) 4.616 24.504 ( -5.536 -0.000 -1.311) 5.689 25.174 ( -1.789 0.000 1.179) 2.143 25.271 ( -12.793 -0.000 -5.242) 13.826 25.887 ( -10.939 0.000 12.515) 16.622 26.844 ( 17.295 0.000 1.945) 17.404 27.191 ( -8.493 -0.000 -6.188) 10.509 27.481 ( 15.629 -0.000 -9.952) 18.529 ======================= Grid point 162 (66/216) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.000 25.982 13.895) 29.464 1.286 ( 0.000 7.747 19.085) 20.597 2.110 ( 0.000 13.587 -7.393) 15.469 2.146 ( 0.000 2.091 -0.371) 2.124 2.890 ( -0.000 -0.538 16.469) 16.477 3.136 ( -0.000 -4.299 -2.726) 5.090 3.167 ( -0.000 -0.467 39.478) 39.481 3.375 ( -0.000 0.212 17.082) 17.084 3.613 ( 0.000 2.436 -3.947) 4.638 3.778 ( -0.000 -3.114 15.456) 15.766 3.944 ( -0.000 -4.469 4.680) 6.471 4.686 ( 0.000 3.092 8.436) 8.985 4.830 ( -0.000 0.049 9.148) 9.148 4.938 ( 0.000 4.855 12.116) 13.053 5.666 ( 0.000 17.324 -0.060) 17.324 5.907 ( 0.000 7.471 15.507) 17.212 6.183 ( -0.000 -6.509 -14.540) 15.930 6.752 ( 0.000 8.739 -11.746) 14.640 6.944 ( 0.000 4.036 -5.385) 6.730 7.997 ( -0.000 -7.599 -18.261) 19.779 8.815 ( 0.000 6.161 -17.617) 18.663 8.839 ( 0.000 2.642 10.470) 10.798 9.129 ( 0.000 0.604 -27.907) 27.914 9.715 ( -0.000 -7.242 -15.695) 17.285 10.129 ( 0.000 11.280 2.578) 11.570 10.619 ( 0.000 1.841 -5.454) 5.756 12.323 ( -0.000 -0.745 24.497) 24.509 13.075 ( -0.000 -0.175 -0.869) 0.887 13.568 ( 0.000 2.175 -8.505) 8.779 14.001 ( -0.000 -5.042 -14.387) 15.245 14.596 ( -0.000 -28.612 12.176) 31.095 14.824 ( -0.000 -9.972 2.989) 10.410 15.844 ( 0.000 24.253 1.894) 24.327 16.105 ( 0.000 6.863 0.787) 6.908 24.206 ( -0.000 -0.391 5.657) 5.671 24.563 ( -0.000 -2.132 -2.061) 2.966 25.434 ( 0.000 -4.778 0.443) 4.799 25.434 ( 0.000 -3.472 0.317) 3.486 26.071 ( -0.000 -16.582 13.281) 21.245 26.386 ( -0.000 -3.699 2.905) 4.703 27.242 ( 0.000 24.179 -11.349) 26.710 27.257 ( 0.000 5.838 -7.671) 9.640 ======================= Grid point 163 (67/216) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -3.696 20.327 12.214) 24.001 1.590 ( -8.459 11.953 15.468) 21.299 2.164 ( -0.130 10.070 -4.392) 10.986 2.240 ( -5.138 8.883 -4.598) 11.245 2.896 ( -0.051 -5.992 1.531) 6.185 3.067 ( 0.185 -4.936 -1.734) 5.235 3.354 ( 13.130 -2.525 9.269) 16.269 3.530 ( -0.698 2.966 39.045) 39.164 3.640 ( 0.948 5.573 0.016) 5.653 3.799 ( 3.033 -6.157 7.861) 10.436 4.063 ( -9.622 -0.470 13.667) 16.721 4.799 ( -1.911 -4.107 9.198) 10.253 5.027 ( -9.349 6.016 14.069) 17.931 5.099 ( -1.924 7.921 12.791) 15.167 5.799 ( -0.588 12.675 -4.323) 13.405 6.018 ( 2.173 1.173 -6.739) 7.178 6.078 ( 1.775 4.931 4.741) 7.067 6.674 ( 6.582 7.549 -12.569) 16.071 6.971 ( -2.593 3.645 -3.894) 5.931 7.793 ( -1.863 -6.479 -18.664) 19.844 8.722 ( 2.107 2.511 -11.717) 12.167 8.925 ( -8.640 1.795 -13.233) 15.906 9.048 ( -5.328 4.926 -7.864) 10.700 9.493 ( 4.550 -6.673 -14.364) 16.479 10.221 ( 6.200 12.849 3.984) 14.812 10.594 ( 1.373 3.964 -4.736) 6.327 12.514 ( -1.604 -1.159 23.802) 23.884 13.074 ( -0.043 -0.452 0.548) 0.712 13.524 ( 0.026 3.053 -9.015) 9.518 13.832 ( 0.283 -6.189 -14.811) 16.054 14.431 ( 1.386 -23.394 11.129) 25.944 14.750 ( -2.659 -13.277 0.861) 13.568 15.992 ( 6.088 16.242 2.603) 17.540 16.220 ( -3.236 9.208 0.387) 9.768 24.251 ( -0.709 -0.580 5.348) 5.426 24.498 ( 3.165 -2.851 -1.861) 4.648 25.190 ( 12.320 -7.440 0.922) 14.422 25.475 ( 3.535 2.231 -0.643) 4.229 26.100 ( -8.551 -15.678 9.071) 20.030 26.355 ( 1.347 -2.579 6.013) 6.680 27.209 ( 5.678 8.139 -8.567) 13.111 27.479 ( -12.447 17.224 -9.372) 23.225 ======================= Grid point 164 (68/216) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -8.995 9.744 9.690) 16.424 1.914 ( -3.649 13.360 11.967) 18.304 2.240 ( -1.930 9.583 -4.185) 10.634 2.339 ( -2.811 6.299 -5.821) 9.026 2.848 ( -0.836 -6.820 1.556) 7.045 3.040 ( -0.005 -1.802 2.139) 2.797 3.151 ( 15.077 -4.495 5.836) 16.781 3.616 ( 4.700 4.435 -2.548) 6.946 3.727 ( 3.880 -6.895 4.209) 8.961 3.832 ( -1.785 2.746 23.787) 24.011 4.345 ( -6.575 5.736 17.010) 19.117 4.851 ( -0.486 -1.465 7.817) 7.968 5.242 ( -1.243 3.931 13.445) 14.063 5.358 ( -6.710 5.447 8.278) 11.967 5.800 ( 7.466 8.845 -15.460) 19.313 5.887 ( 1.101 -0.133 -11.495) 11.549 6.199 ( 1.291 10.470 12.368) 16.257 6.549 ( 5.484 6.516 -10.143) 13.245 7.025 ( -5.132 0.379 -1.144) 5.271 7.706 ( -8.070 -2.158 -11.260) 14.020 8.593 ( 4.041 -2.796 -8.540) 9.853 9.010 ( -9.252 2.936 -11.433) 14.997 9.147 ( -10.357 -0.842 -9.922) 14.367 9.306 ( 1.255 2.280 -5.597) 6.173 10.227 ( 10.605 11.261 1.301) 15.523 10.587 ( 2.581 6.851 -2.083) 7.612 12.692 ( -1.064 -2.929 19.769) 20.013 13.072 ( 0.711 -0.803 2.594) 2.807 13.488 ( 0.478 4.364 -8.318) 9.405 13.667 ( -0.869 -5.586 -14.095) 15.186 14.296 ( 0.573 -18.723 8.607) 20.614 14.680 ( -4.993 -14.262 -0.795) 15.132 16.035 ( 6.925 11.068 2.162) 13.234 16.338 ( -0.605 7.935 0.893) 8.008 24.286 ( 0.405 -1.004 2.748) 2.953 24.407 ( 3.322 -2.458 0.444) 4.156 24.984 ( 6.749 -5.429 -1.245) 8.750 25.358 ( 13.922 4.948 -1.460) 14.847 26.161 ( -16.343 -20.908 3.649) 26.788 26.416 ( 2.717 4.190 12.969) 13.897 27.103 ( 8.976 8.486 -9.812) 15.775 27.744 ( -12.868 10.976 -6.987) 18.300 ======================= Grid point 165 (69/216) ======================= q-point: ( 0.64 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -6.352 -2.358 7.084) 9.802 2.157 ( -2.679 14.869 7.290) 16.776 2.293 ( -1.001 -4.525 -2.760) 5.394 2.358 ( 1.199 12.604 -5.366) 13.751 2.835 ( 5.137 -4.037 2.995) 7.187 2.879 ( 9.620 -2.834 1.479) 10.137 3.100 ( -2.880 -1.742 2.846) 4.408 3.531 ( 7.692 5.150 -5.018) 10.530 3.638 ( 4.741 -6.673 5.406) 9.810 4.012 ( -0.140 3.784 11.411) 12.023 4.589 ( -0.633 7.169 15.935) 17.485 4.912 ( -2.019 0.795 3.691) 4.281 5.319 ( 6.874 0.270 5.282) 8.673 5.438 ( 1.578 -0.084 -7.464) 7.629 5.602 ( 6.567 7.585 -4.477) 10.987 5.842 ( -0.365 2.317 -8.239) 8.567 6.364 ( 0.728 9.297 6.732) 11.502 6.504 ( 0.308 5.833 -4.391) 7.308 7.138 ( -11.039 -1.233 1.006) 11.153 7.770 ( -0.797 4.952 -3.010) 5.850 8.486 ( -3.574 -7.183 1.751) 8.212 9.011 ( -10.778 -1.770 -23.729) 26.122 9.141 ( 3.405 -0.829 5.446) 6.477 9.504 ( -16.904 8.302 -2.812) 19.042 10.139 ( 12.062 8.440 -1.899) 14.843 10.603 ( 3.802 7.754 0.355) 8.643 12.734 ( 4.164 -7.814 7.774) 11.783 13.120 ( -1.571 1.287 9.564) 9.777 13.464 ( 1.260 4.431 -4.922) 6.741 13.554 ( -2.910 -2.512 -12.860) 13.422 14.204 ( -1.001 -13.426 5.600) 14.581 14.628 ( -6.602 -13.820 -1.605) 15.400 16.024 ( 7.380 7.495 1.083) 10.574 16.390 ( 2.591 4.903 0.957) 5.627 24.235 ( 3.934 -1.323 -0.727) 4.214 24.401 ( -0.912 -0.260 3.158) 3.297 24.862 ( 2.346 -3.960 -1.959) 5.002 25.172 ( 12.819 3.634 -2.121) 13.492 26.264 ( -19.131 -20.358 1.925) 28.003 26.505 ( 8.852 7.726 16.368) 20.148 26.955 ( 9.634 9.686 -12.294) 18.379 27.955 ( -10.908 4.926 -4.214) 12.689 ======================= Grid point 166 (70/216) ======================= q-point: ( 0.73 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -0.625 -5.876 3.365) 6.800 2.148 ( 3.549 -9.597 -0.808) 10.264 2.378 ( -0.552 12.738 2.684) 13.029 2.447 ( 0.460 8.543 -3.266) 9.158 2.595 ( 9.085 -2.121 -0.340) 9.335 2.857 ( 1.856 -2.149 -0.097) 2.842 3.158 ( -3.084 -0.636 3.480) 4.693 3.437 ( 8.121 6.465 -1.289) 10.460 3.525 ( 6.811 -4.539 1.046) 8.252 4.084 ( 2.716 4.273 3.283) 6.034 4.719 ( 6.109 3.833 11.985) 13.988 4.964 ( -1.897 2.535 -5.200) 6.088 5.169 ( 8.821 -1.190 5.034) 10.226 5.309 ( 3.217 -2.073 -11.201) 11.837 5.641 ( 1.952 2.611 6.753) 7.499 5.790 ( 0.266 0.198 -7.901) 7.908 6.464 ( -0.529 7.885 2.860) 8.404 6.532 ( 0.963 2.636 -1.321) 3.102 7.359 ( -15.965 1.599 2.198) 16.195 7.694 ( 12.981 9.239 -3.923) 16.409 8.606 ( -11.798 -10.888 8.580) 18.203 9.041 ( -12.552 2.656 -11.201) 17.032 9.129 ( 0.042 0.595 0.094) 0.604 9.816 ( -15.318 5.210 1.561) 16.255 10.010 ( 9.923 5.702 -3.913) 12.095 10.611 ( 4.022 5.564 0.872) 6.921 12.578 ( 7.892 -10.001 0.397) 12.747 13.256 ( -1.433 2.986 11.575) 12.040 13.466 ( -0.515 4.267 -2.995) 5.239 13.506 ( -4.097 -0.490 -9.675) 10.518 14.165 ( -1.969 -7.271 2.791) 8.034 14.599 ( -7.316 -12.849 -1.397) 14.852 15.968 ( 7.835 4.227 0.235) 8.906 16.366 ( 5.037 1.780 0.356) 5.354 24.180 ( 1.952 0.854 -0.319) 2.154 24.432 ( 0.648 1.063 1.444) 1.907 24.811 ( -1.633 -3.855 0.195) 4.191 25.032 ( 5.979 2.040 -2.919) 6.959 26.351 ( -6.980 -14.700 3.549) 16.656 26.522 ( 5.950 3.221 8.768) 11.075 26.851 ( 6.629 14.241 -8.779) 17.995 28.097 ( -8.462 -1.075 -1.700) 8.698 ======================= Grid point 167 (71/216) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 3.336 -16.074 -0.000) 16.417 2.045 ( 8.879 -2.079 -0.000) 9.120 2.351 ( 4.254 -0.814 -0.000) 4.331 2.493 ( 0.142 10.937 0.000) 10.937 2.653 ( -5.319 2.573 0.000) 5.909 2.772 ( 7.209 1.263 -0.000) 7.319 3.225 ( -2.480 0.261 0.000) 2.494 3.368 ( 7.032 -2.472 -0.000) 7.454 3.381 ( 8.486 5.890 -0.000) 10.330 4.077 ( 4.657 4.362 -0.000) 6.381 4.613 ( 13.530 -1.925 -0.000) 13.666 4.909 ( 9.694 3.260 -0.000) 10.227 5.095 ( 7.817 -3.864 -0.000) 8.720 5.269 ( -11.314 -1.381 0.000) 11.398 5.617 ( 4.280 -2.506 -0.000) 4.959 5.754 ( -0.863 -2.559 -0.000) 2.701 6.458 ( 6.012 -3.033 -0.000) 6.734 6.611 ( -6.306 8.640 0.000) 10.696 7.578 ( 11.455 11.497 -0.000) 16.230 7.662 ( -16.624 5.775 0.000) 17.599 8.652 ( -4.597 -10.695 -0.000) 11.641 9.160 ( -5.409 -0.029 0.000) 5.409 9.271 ( -12.859 6.202 0.000) 14.276 9.869 ( 9.639 2.705 -0.000) 10.011 10.092 ( -13.638 1.818 0.000) 13.759 10.595 ( 3.042 1.853 -0.000) 3.562 12.355 ( 9.199 -9.023 -0.000) 12.886 13.354 ( 0.153 4.996 0.000) 4.999 13.512 ( -2.835 4.238 0.000) 5.099 13.541 ( -5.417 -0.362 0.000) 5.429 14.163 ( -1.709 -1.872 0.000) 2.535 14.591 ( -7.302 -11.728 -0.000) 13.816 15.871 ( 8.066 0.870 -0.000) 8.113 16.286 ( 5.933 -0.724 -0.000) 5.977 24.190 ( -1.034 2.848 0.000) 3.030 24.406 ( 5.027 1.617 -0.000) 5.280 24.845 ( -6.935 -4.252 0.000) 8.135 25.000 ( -1.765 1.480 0.000) 2.303 26.182 ( 16.843 -2.365 -0.000) 17.008 26.614 ( -14.616 -8.341 0.000) 16.828 26.866 ( 8.799 19.220 0.000) 21.138 28.162 ( -5.817 -6.997 0.000) 9.099 ======================= Grid point 171 (72/216) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 14.352 -9.060 8.667) 19.057 1.674 ( 15.813 -1.199 16.094) 22.594 2.198 ( 6.160 -3.432 -7.293) 10.145 2.526 ( 9.541 1.242 -1.702) 9.771 2.817 ( -6.139 0.366 6.046) 8.624 3.012 ( -0.578 5.608 1.649) 5.874 3.066 ( 1.601 3.527 10.487) 11.179 3.134 ( 7.865 -3.510 14.453) 16.825 3.240 ( -10.633 -3.326 13.318) 17.364 3.913 ( 4.571 1.333 -10.758) 11.764 4.103 ( 6.950 -0.626 12.675) 14.469 4.610 ( -4.765 -2.213 7.640) 9.272 4.940 ( 6.252 -0.698 11.580) 13.178 5.466 ( 10.389 3.741 8.110) 13.700 5.566 ( 5.441 -7.436 11.337) 14.609 5.978 ( 5.119 -1.958 -13.966) 15.003 6.160 ( -17.784 2.208 -6.746) 19.148 6.648 ( 5.558 -2.467 -23.690) 24.458 7.227 ( 8.653 0.472 -6.293) 10.709 8.099 ( -3.798 1.817 -11.953) 12.673 8.625 ( -2.183 -0.852 2.512) 3.436 9.283 ( -2.768 7.691 -6.647) 10.535 9.354 ( 11.592 -1.443 -8.801) 14.625 9.543 ( -6.872 -7.273 2.098) 10.224 9.964 ( 1.820 -2.557 -17.142) 17.427 10.577 ( -2.695 -0.642 -5.439) 6.104 12.277 ( 4.889 -0.061 20.879) 21.444 13.129 ( -0.360 0.697 -5.615) 5.670 13.580 ( -2.523 -1.290 -8.224) 8.698 14.062 ( -3.004 1.789 -11.179) 11.713 14.498 ( -7.616 14.923 15.053) 22.523 14.803 ( -4.801 -4.524 5.935) 8.874 15.553 ( 4.868 -6.830 7.927) 11.540 16.148 ( 1.070 -2.875 2.101) 3.719 24.235 ( 2.962 -0.150 3.481) 4.573 24.400 ( -5.630 1.294 -1.619) 5.999 25.019 ( -12.649 0.403 -5.000) 13.607 25.190 ( 3.450 -0.992 -4.641) 5.867 25.847 ( -9.999 -1.846 14.620) 17.808 26.994 ( -4.896 2.943 -5.002) 7.593 27.010 ( 9.905 14.667 1.058) 17.730 27.709 ( 10.716 -15.534 -6.233) 19.874 ======================= Grid point 172 (73/216) ======================= q-point: ( 0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 13.807 0.000 12.940) 18.923 1.554 ( 16.819 0.000 18.265) 24.829 2.030 ( 4.500 -0.000 -8.772) 9.859 2.342 ( 11.830 0.000 -1.805) 11.967 2.974 ( 3.098 0.000 17.099) 17.377 3.086 ( -10.287 0.000 7.338) 12.636 3.121 ( -2.513 -0.000 -1.046) 2.722 3.253 ( 0.764 0.000 29.714) 29.724 3.482 ( -8.039 0.000 7.595) 11.060 3.812 ( 0.907 -0.000 -1.562) 1.807 4.102 ( 5.809 0.000 11.191) 12.609 4.744 ( -5.153 0.000 8.675) 10.090 4.957 ( 3.718 0.000 13.327) 13.836 5.273 ( 27.151 0.000 1.855) 27.214 5.509 ( 1.854 0.000 5.088) 5.415 5.839 ( 0.594 0.000 0.507) 0.781 6.360 ( 5.412 -0.000 -19.341) 20.084 6.372 ( -15.299 -0.000 -9.831) 18.185 7.041 ( 8.651 -0.000 -5.400) 10.198 8.039 ( -1.703 -0.000 -17.168) 17.253 8.700 ( -3.123 0.000 5.083) 5.966 9.058 ( 14.246 -0.000 -7.627) 16.159 9.223 ( 3.121 -0.000 -19.094) 19.348 9.733 ( -12.539 0.000 8.292) 15.032 9.786 ( -0.469 -0.000 -19.948) 19.954 10.562 ( -2.308 -0.000 -7.000) 7.371 12.387 ( 3.339 0.000 23.745) 23.978 13.099 ( 0.513 -0.000 -2.665) 2.714 13.534 ( -1.077 -0.000 -8.878) 8.943 14.013 ( -2.071 -0.000 -14.163) 14.313 14.832 ( -9.548 0.000 9.202) 13.261 14.873 ( -3.472 0.000 5.036) 6.117 15.516 ( 4.015 0.000 11.493) 12.175 16.109 ( 2.744 0.000 -0.744) 2.843 24.233 ( 1.532 0.000 4.928) 5.161 24.486 ( -5.762 -0.000 -1.208) 5.888 25.182 ( -6.417 -0.000 -0.029) 6.418 25.204 ( -14.392 -0.000 -3.420) 14.792 26.090 ( -8.691 0.000 13.771) 16.284 26.882 ( 17.157 0.000 3.015) 17.420 27.076 ( -7.965 -0.000 -8.909) 11.950 27.337 ( 18.033 -0.000 -8.847) 20.086 ======================= Grid point 174 (74/216) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 0.000 22.600 13.496) 26.323 1.547 ( 0.000 6.536 14.432) 15.843 1.994 ( 0.000 14.445 -7.324) 16.196 2.116 ( 0.000 2.608 -3.716) 4.540 2.967 ( -0.000 -5.950 2.356) 6.399 3.092 ( -0.000 -4.283 -2.944) 5.197 3.539 ( 0.000 0.682 4.719) 4.768 3.560 ( 0.000 3.328 -2.111) 3.941 3.792 ( -0.000 -2.346 23.668) 23.784 3.946 ( -0.000 -4.032 6.264) 7.450 4.135 ( -0.000 -0.091 27.850) 27.850 4.878 ( -0.000 -1.774 12.295) 12.423 5.030 ( 0.000 6.782 18.069) 19.300 5.150 ( 0.000 2.736 15.668) 15.905 5.677 ( 0.000 9.778 -0.097) 9.778 5.944 ( -0.000 -3.913 -16.480) 16.938 6.123 ( 0.000 6.598 12.027) 13.718 6.557 ( 0.000 7.969 -13.164) 15.388 6.899 ( 0.000 3.287 0.525) 3.328 7.663 ( -0.000 -4.607 -24.666) 25.092 8.549 ( 0.000 5.630 -16.055) 17.014 8.680 ( 0.000 0.700 -24.744) 24.754 9.028 ( 0.000 0.921 9.757) 9.801 9.492 ( -0.000 -7.548 -12.873) 14.923 10.197 ( 0.000 11.262 5.867) 12.699 10.524 ( 0.000 3.781 -6.791) 7.773 12.705 ( -0.000 -1.641 25.077) 25.130 13.088 ( -0.000 0.045 2.648) 2.648 13.429 ( 0.000 2.215 -9.390) 9.648 13.751 ( -0.000 -3.468 -18.212) 18.539 14.744 ( -0.000 -23.602 7.369) 24.726 14.858 ( -0.000 -12.600 1.355) 12.673 15.903 ( 0.000 18.729 5.238) 19.448 16.101 ( 0.000 8.290 -1.407) 8.409 24.297 ( -0.000 -0.707 5.995) 6.036 24.522 ( -0.000 -1.814 -3.243) 3.716 25.437 ( -0.000 -2.440 0.147) 2.444 25.439 ( -0.000 -4.187 0.116) 4.189 26.252 ( -0.000 -15.362 10.405) 18.554 26.428 ( -0.000 -6.298 2.233) 6.682 27.103 ( 0.000 20.539 -6.970) 21.689 27.138 ( 0.000 8.830 -7.414) 11.530 ======================= Grid point 175 (75/216) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -2.592 18.987 10.098) 21.661 1.803 ( -8.567 10.428 11.769) 17.906 2.078 ( 0.976 15.716 -5.716) 16.752 2.161 ( -5.360 4.695 -6.125) 9.396 2.925 ( 0.194 -7.146 2.025) 7.430 3.039 ( -1.886 -4.052 -1.751) 4.800 3.453 ( 11.947 -1.540 3.973) 12.684 3.592 ( 1.611 4.760 -2.158) 5.469 3.859 ( -0.225 -7.727 3.551) 8.507 3.941 ( -1.742 -2.686 7.879) 8.505 4.426 ( -0.916 4.118 32.322) 32.596 4.918 ( 1.007 -1.268 4.136) 4.442 5.294 ( -3.304 4.713 18.190) 19.079 5.313 ( -1.156 6.756 14.802) 16.312 5.711 ( 3.327 8.012 -8.016) 11.812 5.801 ( 0.975 0.014 -15.322) 15.353 6.236 ( 3.591 8.067 8.798) 12.465 6.487 ( 5.187 8.134 -10.725) 14.426 6.963 ( -3.064 0.702 3.532) 4.729 7.488 ( -6.952 -2.433 -19.817) 21.141 8.493 ( -3.498 0.658 -15.088) 15.502 8.686 ( -13.881 7.317 -11.812) 19.640 9.063 ( 2.635 -2.166 2.999) 4.542 9.324 ( 1.864 -4.886 -7.445) 9.098 10.289 ( 7.463 10.950 4.421) 13.969 10.521 ( 0.880 7.548 -4.550) 8.858 12.875 ( -0.398 -3.300 22.641) 22.884 13.112 ( 0.431 -0.216 4.295) 4.322 13.385 ( -0.172 3.457 -8.731) 9.392 13.577 ( -0.434 -3.655 -18.126) 18.496 14.566 ( 2.379 -21.204 6.430) 22.285 14.754 ( -3.663 -16.489 -0.281) 16.893 16.036 ( 5.432 13.132 2.708) 14.467 16.217 ( -3.324 11.005 -0.604) 11.512 24.331 ( 0.267 -1.202 4.993) 5.142 24.462 ( 1.890 -2.217 -2.875) 4.093 25.198 ( 13.306 -7.118 0.201) 15.092 25.468 ( 4.501 2.423 -0.270) 5.119 26.206 ( -5.349 -18.597 4.579) 19.886 26.450 ( -5.636 -1.822 5.898) 8.359 27.081 ( 8.197 10.739 -7.383) 15.396 27.374 ( -12.436 15.977 -4.473) 20.735 ======================= Grid point 176 (76/216) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -8.300 8.593 5.404) 13.113 2.080 ( -1.723 11.498 9.327) 14.905 2.171 ( 0.549 15.005 -4.175) 15.585 2.242 ( -6.158 3.442 -6.468) 9.571 2.867 ( -1.682 -7.742 0.737) 7.957 3.058 ( -2.555 -0.407 0.461) 2.628 3.228 ( 16.755 -5.155 3.228) 17.825 3.553 ( 6.308 4.962 -3.093) 8.601 3.791 ( 0.961 -8.488 2.623) 8.936 4.030 ( -2.948 1.213 4.000) 5.115 4.685 ( 0.987 5.201 23.496) 24.085 4.905 ( 1.222 1.393 -3.057) 3.574 5.420 ( 5.715 4.259 -2.854) 7.678 5.433 ( 2.878 1.667 8.129) 8.783 5.613 ( 6.516 8.247 -1.432) 10.608 5.724 ( -1.998 2.828 -10.674) 11.221 6.340 ( 0.808 9.519 5.858) 11.206 6.427 ( 3.767 7.742 -5.408) 10.168 7.034 ( -6.717 -4.361 1.214) 8.100 7.584 ( -13.288 5.775 -3.919) 15.010 8.472 ( -8.242 -6.056 -5.642) 11.681 8.807 ( 1.873 0.878 -8.793) 9.033 9.101 ( -16.424 2.807 -0.048) 16.662 9.259 ( 1.696 0.745 -1.407) 2.326 10.243 ( 12.149 8.841 0.591) 15.037 10.565 ( 2.476 10.422 -0.723) 10.737 12.937 ( 3.873 -7.893 9.444) 12.903 13.166 ( -1.450 0.564 10.551) 10.665 13.366 ( -0.492 4.173 -8.654) 9.620 13.449 ( -1.885 -0.915 -11.411) 11.601 14.390 ( 1.535 -17.989 3.323) 18.357 14.668 ( -5.941 -16.979 -0.574) 17.998 16.059 ( 6.645 9.619 0.909) 11.727 16.345 ( -0.699 9.034 0.153) 9.062 24.313 ( 3.695 -2.292 0.836) 4.427 24.416 ( -0.055 -1.037 0.447) 1.131 24.970 ( 8.037 -5.734 -0.527) 9.887 25.344 ( 14.743 4.937 -0.482) 15.555 26.198 ( -15.824 -21.811 1.172) 26.972 26.594 ( -2.933 4.553 8.594) 10.158 26.959 ( 12.653 9.271 -7.447) 17.364 27.671 ( -13.117 10.904 -2.418) 17.228 ======================= Grid point 177 (77/216) ======================= q-point: ( 0.73 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -6.001 -3.320 0.000) 6.858 2.257 ( -2.909 14.925 0.000) 15.206 2.261 ( -1.392 -7.668 -0.000) 7.793 2.277 ( 1.938 16.291 0.000) 16.406 2.866 ( -3.783 -3.987 0.000) 5.496 2.885 ( 20.295 -3.698 -0.000) 20.629 3.124 ( -4.136 -2.177 0.000) 4.674 3.478 ( 8.333 7.003 -0.000) 10.885 3.691 ( 4.260 -7.965 -0.000) 9.032 4.090 ( 0.740 3.957 0.000) 4.026 4.839 ( 3.983 3.867 -0.000) 5.551 4.859 ( -1.252 4.017 0.000) 4.208 5.284 ( 7.744 2.399 -0.000) 8.108 5.375 ( 7.779 -0.127 -0.000) 7.780 5.682 ( 2.446 7.062 0.000) 7.474 5.710 ( -2.486 1.029 0.000) 2.690 6.416 ( 2.715 7.895 0.000) 8.348 6.470 ( -1.783 7.590 0.000) 7.796 7.146 ( -12.964 -3.291 0.000) 13.375 7.752 ( 3.031 8.804 0.000) 9.311 8.561 ( -14.040 -11.238 0.000) 17.983 8.755 ( -7.283 0.570 0.000) 7.306 9.194 ( 5.121 0.369 -0.000) 5.135 9.474 ( -20.690 7.102 0.000) 21.875 10.124 ( 13.276 7.804 -0.000) 15.400 10.607 ( 3.958 9.163 0.000) 9.981 12.791 ( 6.903 -10.347 -0.000) 12.439 13.279 ( -1.852 1.444 0.000) 2.348 13.349 ( -2.329 3.237 0.000) 3.988 13.448 ( -1.275 1.467 0.000) 1.943 14.249 ( -0.547 -13.206 -0.000) 13.217 14.615 ( -7.109 -15.350 -0.000) 16.916 16.033 ( 7.379 6.982 -0.000) 10.159 16.397 ( 2.706 5.290 0.000) 5.942 24.229 ( 4.250 -1.293 -0.000) 4.442 24.427 ( -0.935 0.125 0.000) 0.943 24.846 ( 2.002 -4.548 -0.000) 4.969 25.155 ( 13.859 3.798 -0.000) 14.370 26.279 ( -19.250 -20.383 0.000) 28.036 26.734 ( 0.148 10.027 0.000) 10.028 26.758 ( 17.972 7.602 -0.000) 19.514 27.922 ( -11.335 4.910 0.000) 12.353 ======================= Grid point 183 (78/216) ======================= q-point: ( 0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 9.864 -11.142 7.228) 16.544 1.984 ( 10.241 -1.541 8.802) 13.591 2.296 ( 6.714 -3.621 -1.612) 7.797 2.519 ( -3.133 6.616 -3.751) 8.226 2.719 ( -4.230 -2.653 -2.847) 5.747 2.972 ( 0.052 7.610 4.531) 8.857 3.043 ( -2.908 1.852 2.155) 4.065 3.165 ( -9.551 -2.423 9.262) 13.523 3.531 ( 8.879 -4.022 17.652) 20.165 3.853 ( 3.185 3.429 -12.163) 13.032 4.285 ( 5.388 -2.566 6.404) 8.753 4.673 ( 0.612 -4.177 10.021) 10.874 5.131 ( 5.859 0.642 10.867) 12.363 5.490 ( -7.352 -3.237 -7.460) 10.963 5.766 ( 1.432 -0.296 9.888) 9.995 5.891 ( -1.077 4.070 -6.579) 7.811 6.083 ( 8.994 -5.277 1.714) 10.568 6.556 ( 1.088 -2.321 -18.385) 18.563 7.313 ( 8.404 2.528 -1.666) 8.933 7.924 ( -5.657 1.920 -11.591) 13.040 8.588 ( -3.890 -1.525 0.241) 4.185 9.126 ( -2.168 5.788 -2.091) 6.525 9.440 ( 1.192 -2.805 -4.344) 5.306 9.647 ( 10.379 -1.539 3.284) 10.995 9.926 ( 4.550 -6.884 -15.363) 17.438 10.510 ( -1.888 -1.585 -4.783) 5.381 12.500 ( 3.803 0.524 19.256) 19.635 13.067 ( -1.667 1.160 -3.779) 4.291 13.477 ( -4.608 -2.382 -8.523) 9.977 13.920 ( -2.039 1.576 -11.322) 11.612 14.375 ( -4.839 13.741 12.084) 18.927 14.806 ( -4.578 -2.802 4.710) 7.141 15.723 ( 4.076 -3.892 5.448) 7.839 16.204 ( 0.390 -3.984 0.876) 4.098 24.266 ( -2.490 2.002 -1.723) 3.630 24.325 ( -0.200 -0.684 1.503) 1.664 24.826 ( -8.842 -1.222 -2.064) 9.161 25.225 ( 7.459 0.771 -8.611) 11.419 25.827 ( -10.946 -3.301 14.821) 18.719 26.779 ( -14.124 -5.093 -7.440) 16.756 27.079 ( 15.956 22.269 3.821) 27.661 27.954 ( 7.836 -14.102 -3.418) 16.491 ======================= Grid point 184 (79/216) ======================= q-point: ( 0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 11.865 -8.184 10.231) 17.675 1.898 ( 9.974 -1.025 11.450) 15.220 2.095 ( 10.746 -3.289 -4.789) 12.215 2.486 ( 9.231 1.131 -3.496) 9.935 2.889 ( -16.933 1.314 3.957) 17.439 3.036 ( 1.422 4.275 3.293) 5.580 3.086 ( -2.412 -0.715 -0.189) 2.523 3.411 ( -10.334 -1.093 8.723) 13.567 3.581 ( 4.746 -1.074 30.085) 30.476 3.769 ( -1.025 1.202 -6.042) 6.245 4.254 ( 3.734 -1.253 7.475) 8.449 4.752 ( -3.367 -1.466 10.479) 11.104 5.140 ( 5.464 -0.252 14.393) 15.398 5.491 ( -0.547 1.483 -5.082) 5.323 5.675 ( 16.699 -3.626 -9.436) 19.521 5.834 ( -2.530 -1.963 5.294) 6.187 6.082 ( -6.192 4.385 -2.774) 8.078 6.332 ( 2.054 -7.785 -16.790) 18.620 7.170 ( 11.022 0.683 -0.051) 11.043 7.893 ( -1.247 0.899 -14.453) 14.535 8.658 ( -4.556 1.072 1.241) 4.843 9.154 ( 2.294 1.848 -8.090) 8.609 9.243 ( 13.653 -3.688 -5.722) 15.256 9.563 ( 1.822 8.336 -11.423) 14.259 9.757 ( -4.473 -11.291 1.245) 12.209 10.474 ( -2.214 -1.529 -8.014) 8.453 12.615 ( 3.285 0.785 22.855) 23.103 13.076 ( -1.079 0.495 -1.316) 1.772 13.443 ( -2.581 -1.526 -9.459) 9.923 13.866 ( -1.802 1.215 -14.460) 14.622 14.678 ( -6.477 14.661 8.819) 18.294 14.886 ( -4.515 -3.374 4.721) 7.352 15.684 ( 3.190 -4.233 8.947) 10.399 16.152 ( 1.453 -4.060 -1.650) 4.617 24.286 ( 0.843 0.392 2.961) 3.104 24.382 ( -5.739 0.623 -0.671) 5.812 24.965 ( -12.107 0.369 -2.096) 12.293 25.122 ( -1.142 -1.011 -4.314) 4.575 26.075 ( -9.457 -1.911 15.041) 17.870 26.871 ( -10.896 -2.294 -9.365) 14.550 27.054 ( 16.767 19.297 3.066) 25.747 27.612 ( 14.040 -15.179 -6.248) 21.600 ======================= Grid point 185 (80/216) ======================= q-point: ( 0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 10.861 0.000 13.471) 17.304 1.811 ( 16.951 0.000 14.314) 22.186 1.889 ( 3.230 -0.000 -8.745) 9.322 2.293 ( 11.172 -0.000 -4.858) 12.183 3.039 ( -0.094 0.000 1.248) 1.252 3.106 ( -1.612 -0.000 -1.016) 1.905 3.241 ( -15.974 0.000 8.578) 18.131 3.500 ( -2.069 -0.000 -3.443) 4.017 3.801 ( -0.659 0.000 32.159) 32.166 3.865 ( -7.372 0.000 6.779) 10.015 4.254 ( 4.527 0.000 11.352) 12.221 4.879 ( -3.997 0.000 7.670) 8.649 5.188 ( 3.663 0.000 16.574) 16.974 5.279 ( 19.807 0.000 0.676) 19.818 5.521 ( -4.437 -0.000 -4.649) 6.427 5.915 ( -3.875 0.000 1.999) 4.360 6.104 ( 3.404 -0.000 -10.711) 11.239 6.228 ( -10.481 -0.000 -7.748) 13.034 7.021 ( 9.962 0.000 3.865) 10.686 7.754 ( 2.661 -0.000 -19.553) 19.733 8.678 ( 4.849 -0.000 -6.740) 8.303 8.933 ( 12.262 -0.000 -18.514) 22.206 9.030 ( 5.609 0.000 4.398) 7.127 9.494 ( -3.846 -0.000 -17.022) 17.451 9.897 ( -8.865 0.000 12.317) 15.176 10.437 ( -2.845 -0.000 -9.321) 9.746 12.759 ( 2.275 0.000 24.538) 24.643 13.089 ( -0.348 0.000 1.479) 1.519 13.391 ( -1.296 -0.000 -9.498) 9.586 13.769 ( -0.894 -0.000 -17.755) 17.777 14.933 ( -6.127 0.000 4.457) 7.577 14.938 ( -3.351 0.000 3.398) 4.773 15.693 ( 2.652 0.000 11.354) 11.660 16.072 ( 2.713 -0.000 -4.093) 4.911 24.309 ( 0.313 0.000 4.870) 4.880 24.464 ( -4.942 -0.000 -1.735) 5.238 25.166 ( -14.811 -0.000 -1.562) 14.893 25.175 ( -9.611 -0.000 -0.776) 9.642 26.305 ( -7.159 0.000 14.290) 15.983 26.920 ( -7.099 -0.000 -11.327) 13.368 26.936 ( 17.064 0.000 4.168) 17.565 27.210 ( 18.123 -0.000 -7.732) 19.704 ======================= Grid point 187 (81/216) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 0.000 19.082 11.291) 22.173 1.674 ( -0.000 12.176 -0.688) 12.195 1.935 ( -0.000 9.344 2.442) 9.658 2.031 ( 0.000 3.839 -7.120) 8.089 3.004 ( 0.000 -5.401 2.668) 6.024 3.047 ( -0.000 -4.619 -2.891) 5.449 3.545 ( -0.000 3.336 0.296) 3.349 3.559 ( 0.000 2.179 -0.795) 2.319 3.949 ( -0.000 -5.865 4.441) 7.357 3.986 ( 0.000 -5.258 -0.366) 5.271 4.649 ( 0.000 1.857 29.615) 29.673 4.933 ( -0.000 -0.591 -6.759) 6.785 5.363 ( -0.000 7.603 21.923) 23.204 5.408 ( 0.000 0.446 17.562) 17.568 5.613 ( -0.000 6.022 -9.809) 11.510 5.682 ( -0.000 -0.746 -17.700) 17.715 6.263 ( -0.000 6.793 6.803) 9.614 6.376 ( 0.000 7.491 -9.499) 12.097 6.995 ( -0.000 -0.119 12.810) 12.810 7.282 ( 0.000 -2.913 -23.439) 23.619 8.365 ( -0.000 5.720 -6.474) 8.639 8.393 ( 0.000 3.848 -10.880) 11.540 9.175 ( 0.000 -2.952 9.313) 9.770 9.320 ( -0.000 -5.963 -9.958) 11.606 10.300 ( 0.000 9.040 7.288) 11.612 10.414 ( -0.000 6.289 -7.478) 9.771 13.077 ( -0.000 -3.079 22.461) 22.672 13.155 ( 0.000 -0.057 5.714) 5.714 13.293 ( -0.000 2.516 -7.236) 7.661 13.448 ( 0.000 -1.844 -20.946) 21.027 14.828 ( -0.000 -19.082 3.755) 19.448 14.863 ( 0.000 -15.484 -0.911) 15.511 15.988 ( -0.000 13.987 5.470) 15.018 16.061 ( 0.000 10.550 -3.827) 11.222 24.386 ( 0.000 -1.065 5.524) 5.626 24.463 ( -0.000 -1.444 -4.498) 4.724 25.439 ( -0.000 -2.786 0.077) 2.787 25.439 ( 0.000 -3.300 -0.003) 3.300 26.383 ( -0.000 -13.940 6.434) 15.353 26.441 ( 0.000 -10.477 -1.069) 10.532 27.032 ( -0.000 17.836 -2.048) 17.953 27.047 ( 0.000 13.566 -3.933) 14.125 ======================= Grid point 188 (82/216) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -2.748 14.671 0.000) 14.927 1.901 ( -6.825 20.294 0.000) 21.411 2.060 ( -1.236 8.068 0.000) 8.162 2.061 ( -4.083 6.216 0.000) 7.437 2.945 ( 1.035 -7.910 -0.000) 7.977 3.022 ( -3.359 -3.161 0.000) 4.613 3.482 ( 10.193 -0.334 -0.000) 10.198 3.574 ( 3.022 4.321 0.000) 5.273 3.880 ( 0.503 -8.534 -0.000) 8.548 3.987 ( -4.610 -3.012 0.000) 5.507 4.831 ( 1.634 1.658 -0.000) 2.328 4.844 ( 1.023 2.202 0.000) 2.428 5.503 ( 8.457 5.933 -0.000) 10.331 5.508 ( 2.279 1.159 -0.000) 2.557 5.585 ( -3.202 1.762 0.000) 3.655 5.596 ( 1.755 8.847 0.000) 9.020 6.317 ( 4.222 7.949 0.000) 9.001 6.386 ( 2.894 8.614 0.000) 9.087 7.038 ( -0.335 -5.556 -0.000) 5.566 7.281 ( -14.547 3.184 0.000) 14.891 8.361 ( -4.192 -0.286 0.000) 4.201 8.595 ( -15.209 10.155 0.000) 18.287 9.089 ( 7.141 -7.167 -0.000) 10.117 9.267 ( -1.735 -1.876 0.000) 2.555 10.332 ( 8.938 8.143 -0.000) 12.092 10.477 ( -0.457 10.780 0.000) 10.790 13.109 ( 3.622 -5.962 -0.000) 6.976 13.206 ( -2.575 -1.450 0.000) 2.955 13.287 ( 1.018 1.606 0.000) 1.901 13.346 ( -2.397 2.411 0.000) 3.399 14.619 ( 3.540 -19.453 -0.000) 19.773 14.749 ( -4.842 -18.406 -0.000) 19.033 16.060 ( 5.638 11.255 0.000) 12.588 16.210 ( -3.661 12.312 0.000) 12.845 24.389 ( 2.306 -2.190 -0.000) 3.180 24.421 ( -0.289 -1.215 -0.000) 1.249 25.199 ( 13.646 -7.032 -0.000) 15.351 25.466 ( 4.807 2.477 -0.000) 5.408 26.240 ( -3.735 -19.336 -0.000) 19.693 26.504 ( -10.200 -2.768 0.000) 10.569 27.016 ( 10.728 12.564 -0.000) 16.521 27.340 ( -12.399 15.586 0.000) 19.916 ======================= Grid point 195 (83/216) ======================= q-point: ( 0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 6.217 -9.040 6.261) 12.632 2.127 ( 0.780 -0.647 0.868) 1.334 2.321 ( -2.474 3.319 -2.170) 4.674 2.482 ( 7.625 -2.252 -2.061) 8.214 2.647 ( -4.527 1.533 -1.708) 5.076 2.925 ( -4.285 2.530 2.168) 5.427 2.979 ( -4.510 3.023 0.572) 5.459 3.118 ( -5.224 -1.095 5.623) 7.753 3.699 ( -0.610 -1.008 2.747) 2.989 3.810 ( 3.950 1.949 -4.077) 6.002 4.417 ( 3.957 -1.267 3.856) 5.669 4.854 ( 6.849 -3.256 11.871) 14.086 5.115 ( -11.215 2.996 -4.850) 12.581 5.419 ( 1.261 -5.431 2.582) 6.144 5.820 ( -0.280 -1.982 -2.565) 3.253 5.859 ( 8.132 9.823 -0.534) 12.763 6.290 ( 7.466 -3.750 2.642) 8.762 6.476 ( -0.056 -3.989 -9.184) 10.013 7.361 ( -0.247 2.882 -1.735) 3.373 7.748 ( -1.977 0.468 -9.315) 9.534 8.597 ( -0.323 -3.162 6.213) 6.979 9.075 ( 0.472 2.657 1.463) 3.069 9.412 ( -0.705 0.466 -4.875) 4.948 9.842 ( 10.802 3.576 4.566) 12.261 10.007 ( 8.979 -9.864 -10.820) 17.176 10.487 ( 0.117 -2.336 -2.012) 3.085 12.634 ( -0.692 4.477 11.309) 12.183 13.025 ( -0.670 -0.282 1.468) 1.638 13.374 ( -4.734 -4.879 -6.584) 9.464 13.801 ( -1.288 0.174 -11.005) 11.081 14.281 ( -3.455 10.598 9.124) 14.405 14.792 ( -4.310 -2.156 3.350) 5.869 15.833 ( 4.138 0.056 2.735) 4.960 16.241 ( -0.192 -3.211 -0.586) 3.269 24.183 ( -2.377 1.415 -2.143) 3.500 24.336 ( -2.344 -2.268 -1.082) 3.436 24.769 ( 0.181 -0.377 3.186) 3.213 25.265 ( 8.946 1.747 -10.466) 13.878 25.797 ( -11.628 -3.662 13.027) 17.842 26.556 ( -15.546 -8.010 -7.674) 19.098 27.145 ( 14.919 20.207 3.907) 25.420 28.147 ( 5.469 -9.427 -0.989) 10.943 ======================= Grid point 196 (84/216) ======================= q-point: ( 0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 8.378 -10.151 7.720) 15.259 2.046 ( 4.450 -4.115 -1.047) 6.151 2.318 ( 12.813 -0.175 4.349) 13.532 2.486 ( -4.815 6.770 -0.627) 8.331 2.691 ( -7.827 -1.496 -0.633) 7.994 2.986 ( -5.950 0.816 -4.737) 7.649 3.078 ( 0.847 3.324 6.349) 7.217 3.316 ( -11.662 -1.608 7.088) 13.742 3.697 ( 0.818 3.606 -5.939) 6.996 3.797 ( -1.075 -2.587 13.376) 13.666 4.382 ( 3.566 -2.970 8.664) 9.828 4.852 ( 2.874 -2.073 12.233) 12.736 5.249 ( -8.260 1.356 -4.339) 9.428 5.378 ( 0.992 -4.070 3.098) 5.210 5.710 ( 7.370 3.956 -15.142) 17.299 5.859 ( 1.331 3.686 0.562) 3.959 6.161 ( 7.050 -5.226 5.731) 10.481 6.321 ( 1.135 -8.621 -10.780) 13.850 7.332 ( 8.365 2.274 4.228) 9.645 7.739 ( -4.809 1.596 -11.942) 12.972 8.623 ( -0.423 -0.616 5.361) 5.413 9.126 ( 0.325 3.659 1.430) 3.942 9.338 ( 3.345 0.924 -11.361) 11.879 9.587 ( 16.357 -5.102 -10.415) 20.051 9.838 ( 0.867 -4.680 5.657) 7.393 10.420 ( -0.105 -3.947 -6.743) 7.814 12.791 ( 0.316 4.250 17.448) 17.961 13.052 ( -1.076 -0.131 2.488) 2.714 13.345 ( -3.970 -3.679 -8.299) 9.908 13.726 ( -0.796 0.675 -14.038) 14.077 14.521 ( -4.921 13.670 7.055) 16.151 14.869 ( -4.203 -0.928 3.394) 5.481 15.807 ( 2.550 -1.164 5.362) 6.050 16.197 ( -0.038 -5.732 -1.571) 5.943 24.238 ( -4.182 2.645 -1.619) 5.207 24.346 ( -2.176 -2.410 0.899) 3.369 24.827 ( -5.533 -0.578 2.131) 5.957 25.099 ( 3.697 0.312 -7.863) 8.695 26.057 ( -11.732 -3.457 14.901) 19.277 26.648 ( -13.264 -5.100 -9.722) 17.218 27.131 ( 16.185 21.852 2.786) 27.336 27.901 ( 10.834 -13.520 -3.274) 17.632 ======================= Grid point 197 (85/216) ======================= q-point: ( 0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 9.371 -7.211 10.551) 15.847 1.909 ( 4.174 -5.008 -7.298) 9.786 2.157 ( 15.657 0.992 9.858) 18.529 2.418 ( 10.278 0.523 -5.483) 11.661 2.943 ( -15.186 1.684 3.263) 15.623 3.048 ( -4.217 1.172 -1.929) 4.783 3.146 ( -2.589 0.957 7.764) 8.240 3.417 ( -3.933 -0.364 -6.727) 7.800 3.792 ( -8.145 1.395 8.010) 11.509 3.936 ( -4.417 -0.334 11.278) 12.116 4.414 ( 1.779 -1.744 17.699) 17.873 4.894 ( -0.267 -0.297 5.198) 5.213 5.327 ( -9.845 -1.489 -10.711) 14.624 5.379 ( 3.612 -0.578 13.710) 14.189 5.462 ( 10.595 0.110 -13.173) 16.906 5.851 ( 0.170 2.038 -9.253) 9.477 6.098 ( 2.591 -1.199 4.340) 5.195 6.173 ( -0.837 -8.303 -3.747) 9.147 7.244 ( 11.767 1.879 9.338) 15.138 7.672 ( 2.511 -0.492 -13.947) 14.180 8.684 ( 0.091 2.271 3.735) 4.372 9.017 ( 11.797 -0.442 -11.723) 16.637 9.189 ( 9.747 -3.728 -1.466) 10.539 9.309 ( 0.663 2.592 -13.564) 13.825 9.911 ( -4.882 -2.270 12.636) 13.735 10.334 ( -2.291 -3.868 -10.009) 10.972 12.961 ( 1.125 2.594 21.310) 21.497 13.093 ( -1.120 0.010 3.949) 4.105 13.300 ( -2.447 -2.135 -8.732) 9.316 13.619 ( -0.312 0.430 -17.804) 17.812 14.775 ( -5.580 13.727 4.011) 15.351 14.943 ( -4.192 -2.568 2.677) 5.598 15.817 ( 2.021 -0.317 7.933) 8.193 16.104 ( 1.662 -6.781 -4.168) 8.131 24.319 ( -2.834 2.257 1.233) 3.827 24.380 ( -4.256 -1.381 0.275) 4.483 24.955 ( -9.732 0.987 0.648) 9.803 25.059 ( -5.345 -1.517 -3.801) 6.732 26.303 ( -9.249 -2.071 14.620) 17.423 26.711 ( -10.249 -2.372 -11.563) 15.633 27.097 ( 17.109 20.786 2.319) 27.022 27.528 ( 15.642 -16.632 -4.286) 23.231 ======================= Grid point 198 (86/216) ======================= q-point: ( 0.45 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 8.710 -0.000 12.854) 15.527 1.719 ( 7.396 0.000 -11.491) 13.665 2.030 ( 12.312 0.000 12.234) 17.356 2.190 ( 11.409 -0.000 -8.581) 14.275 3.061 ( -0.865 0.000 1.689) 1.898 3.087 ( -1.129 -0.000 -1.544) 1.912 3.349 ( -11.318 -0.000 5.863) 12.746 3.430 ( -5.320 0.000 -4.994) 7.296 3.970 ( -5.019 0.000 6.181) 7.962 4.028 ( -1.288 -0.000 0.478) 1.374 4.589 ( -1.735 -0.000 28.367) 28.420 4.903 ( -1.785 0.000 -8.409) 8.596 5.305 ( 2.080 0.000 2.521) 3.268 5.386 ( -9.486 -0.000 -9.461) 13.397 5.456 ( 2.899 -0.000 18.234) 18.463 5.736 ( 1.604 0.000 -17.881) 17.953 6.114 ( -1.579 -0.000 3.785) 4.101 6.154 ( -4.066 0.000 -2.492) 4.769 7.175 ( 10.688 0.000 15.517) 18.842 7.453 ( 7.683 -0.000 -19.533) 20.989 8.601 ( 13.319 -0.000 -0.864) 13.347 8.687 ( 16.566 0.000 -12.035) 20.477 9.134 ( -1.955 -0.000 8.161) 8.392 9.279 ( -5.048 0.000 -11.311) 12.386 10.092 ( -5.958 -0.000 12.726) 14.052 10.278 ( -3.990 0.000 -11.396) 12.075 13.127 ( 0.647 -0.000 21.389) 21.398 13.145 ( -0.338 -0.000 7.621) 7.628 13.252 ( -1.313 0.000 -8.412) 8.514 13.471 ( 0.257 0.000 -21.054) 21.055 14.974 ( -3.495 -0.000 1.316) 3.734 14.976 ( -4.262 0.000 1.227) 4.435 15.856 ( 2.106 0.000 9.703) 9.929 15.986 ( 2.259 -0.000 -7.135) 7.484 24.378 ( -1.377 -0.000 3.987) 4.218 24.430 ( -3.306 0.000 -2.767) 4.311 25.155 ( -14.013 -0.000 -0.033) 14.013 25.162 ( -12.160 0.000 -0.802) 12.186 26.523 ( -6.351 0.000 14.081) 15.447 26.732 ( -6.366 -0.000 -13.101) 14.565 27.009 ( 17.145 0.000 5.373) 17.968 27.101 ( 17.539 -0.000 -6.575) 18.731 ======================= Grid point 207 (87/216) ======================= q-point: ( 0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -8.656 3.946 -2.281) 9.783 2.112 ( 4.692 -4.740 3.737) 7.645 2.338 ( 4.940 -2.921 -5.552) 7.985 2.452 ( -7.452 4.732 -0.724) 8.857 2.627 ( 0.533 -2.701 -4.503) 5.278 2.824 ( 0.371 2.880 -7.363) 7.915 2.910 ( -8.346 -0.100 12.373) 14.925 3.107 ( -0.960 1.450 2.149) 2.764 3.661 ( 1.159 3.057 -7.459) 8.144 3.815 ( -4.539 -3.396 1.331) 5.823 4.444 ( -2.883 3.389 2.073) 4.909 4.850 ( -12.665 1.266 -7.004) 14.528 5.068 ( 7.263 2.519 9.505) 12.224 5.503 ( 0.682 -0.999 1.939) 2.286 5.773 ( 3.237 4.297 -9.087) 10.560 5.932 ( 10.090 5.039 2.432) 11.537 6.392 ( -0.385 0.004 1.690) 1.733 6.519 ( 6.076 -5.932 -0.169) 8.493 7.240 ( -6.855 -1.687 -3.728) 7.983 7.744 ( 3.200 -5.001 -5.622) 8.177 8.715 ( 3.878 0.596 12.206) 12.821 9.102 ( 1.331 -0.839 3.489) 3.827 9.362 ( 1.082 0.366 -6.212) 6.316 9.959 ( 8.434 8.614 3.491) 12.551 10.176 ( 8.196 -8.035 -4.120) 12.195 10.527 ( 2.649 -1.829 1.320) 3.480 12.542 ( -6.741 9.631 -0.564) 11.769 13.081 ( 0.657 -2.448 6.722) 7.184 13.360 ( -1.201 -9.647 -1.657) 9.861 13.708 ( -1.336 -1.579 -9.866) 10.080 14.212 ( -2.799 7.152 6.329) 9.952 14.769 ( -4.076 -2.311 2.143) 5.153 15.893 ( 4.867 3.979 0.544) 6.310 16.247 ( -0.366 -1.167 -2.034) 2.374 24.155 ( 0.730 -1.118 -1.059) 1.704 24.284 ( -4.743 -2.394 -2.534) 5.887 24.869 ( 7.197 0.850 6.697) 9.867 25.301 ( 8.166 2.075 -9.575) 12.754 25.740 ( -10.174 -2.319 8.205) 13.274 26.346 ( -16.459 -11.421 -7.146) 21.270 27.218 ( 13.684 17.130 3.448) 22.194 28.277 ( 3.122 -4.560 0.992) 5.615 ======================= Grid point 208 (88/216) ======================= q-point: ( 0.27 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 5.607 -8.190 5.040) 11.131 2.119 ( 0.567 -1.716 -1.622) 2.429 2.283 ( -8.657 2.365 -1.497) 9.098 2.497 ( 7.068 4.116 2.493) 8.551 2.632 ( -3.365 -0.852 -0.003) 3.472 2.800 ( -7.267 -0.069 -10.272) 12.583 3.122 ( -1.048 2.761 10.542) 10.948 3.206 ( -10.150 -0.913 4.797) 11.264 3.618 ( 0.739 5.129 -7.772) 9.341 3.844 ( -3.963 -5.501 2.777) 7.327 4.519 ( 0.587 -0.429 9.924) 9.951 4.950 ( -6.349 -0.947 -10.708) 12.485 5.094 ( 2.105 1.557 14.512) 14.746 5.496 ( 2.660 0.528 4.035) 4.861 5.660 ( 6.227 4.128 -12.490) 14.554 5.860 ( 4.393 2.382 -2.189) 5.455 6.323 ( 6.090 -3.956 1.237) 7.367 6.386 ( 2.313 -9.051 -2.492) 9.669 7.345 ( -8.258 1.884 -0.572) 8.490 7.617 ( 2.888 -0.925 -6.859) 7.500 8.750 ( 4.269 -1.312 13.596) 14.311 9.116 ( 0.982 3.593 2.942) 4.746 9.271 ( 3.123 0.547 -13.603) 13.968 9.856 ( 14.825 -10.138 -4.262) 18.458 9.933 ( 6.242 3.250 2.949) 7.631 10.450 ( 2.914 -5.046 -2.477) 6.331 12.750 ( -6.372 10.232 3.992) 12.698 13.111 ( -0.113 -1.971 7.509) 7.764 13.300 ( -2.069 -7.107 -1.287) 7.513 13.621 ( 0.045 -1.124 -12.427) 12.478 14.387 ( -3.803 10.773 4.610) 12.320 14.833 ( -3.900 -0.412 1.952) 4.381 15.871 ( 2.926 1.967 2.097) 4.102 16.224 ( -1.213 -4.325 -1.278) 4.670 24.155 ( -2.263 0.917 -1.376) 2.802 24.318 ( -4.846 -3.283 -1.001) 5.938 24.846 ( 3.045 0.371 6.513) 7.200 25.106 ( 7.125 1.064 -10.012) 12.334 26.000 ( -14.410 -3.334 12.686) 19.486 26.426 ( -14.312 -8.350 -9.101) 18.905 27.192 ( 15.221 20.117 2.128) 25.316 28.131 ( 7.874 -8.943 -0.973) 11.955 ======================= Grid point 209 (89/216) ======================= q-point: ( 0.36 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 6.295 -8.651 6.878) 12.719 1.988 ( 4.979 -7.240 -5.371) 10.298 2.379 ( 8.314 4.537 2.362) 9.762 2.491 ( 4.535 3.599 0.735) 5.836 2.704 ( -13.115 2.018 1.803) 13.391 2.899 ( -13.098 -3.011 -4.859) 14.291 3.194 ( 1.747 2.409 8.216) 8.738 3.317 ( -1.817 0.887 -5.982) 6.314 3.697 ( -8.614 4.111 3.731) 10.248 3.894 ( -6.851 -4.608 0.483) 8.271 4.600 ( 0.606 -1.992 18.755) 18.871 4.890 ( -0.778 -1.210 -13.603) 13.679 5.201 ( -1.411 -0.335 9.986) 10.090 5.445 ( 5.589 3.234 -15.073) 16.398 5.543 ( 3.395 -0.165 8.427) 9.086 5.787 ( 2.648 0.275 -7.666) 8.115 6.216 ( 3.479 -4.399 0.735) 5.657 6.241 ( 2.751 -9.415 -0.464) 9.820 7.426 ( 5.994 2.837 7.088) 9.707 7.574 ( -4.530 1.200 -9.094) 10.230 8.777 ( 5.367 0.150 14.848) 15.789 9.057 ( 7.952 0.599 -19.020) 20.624 9.166 ( 0.221 4.682 -0.119) 4.689 9.494 ( 14.670 -11.362 -2.323) 18.700 9.945 ( 0.858 3.990 5.545) 6.885 10.323 ( 1.118 -8.581 -4.727) 9.861 12.966 ( -5.320 8.819 4.840) 11.380 13.161 ( -1.005 -1.212 6.718) 6.900 13.266 ( -0.385 -4.959 2.880) 5.748 13.496 ( 0.807 -1.469 -15.255) 15.347 14.592 ( -4.903 13.345 2.296) 14.401 14.906 ( -4.006 0.077 1.273) 4.204 15.873 ( 1.696 2.019 2.659) 3.745 16.169 ( -0.197 -8.262 -1.437) 8.388 24.221 ( -4.814 2.910 -0.598) 5.657 24.353 ( -4.220 -3.356 0.170) 5.395 24.884 ( -1.659 0.326 4.909) 5.192 24.986 ( 0.022 -0.245 -6.572) 6.577 26.276 ( -12.788 -3.631 13.318) 18.818 26.484 ( -12.006 -5.152 -11.452) 17.374 27.161 ( 16.315 21.988 1.064) 27.401 27.863 ( 12.412 -13.533 -1.383) 18.415 ======================= Grid point 210 (90/216) ======================= q-point: (-0.55 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 6.035 -6.191 -0.000) 8.646 1.774 ( 7.788 -6.199 -0.000) 9.954 2.274 ( 12.338 4.297 -0.000) 13.064 2.339 ( 12.604 -2.392 -0.000) 12.829 2.980 ( -12.553 2.653 0.000) 12.831 3.020 ( -6.589 -0.509 0.000) 6.608 3.272 ( -1.674 2.446 0.000) 2.964 3.293 ( -5.847 -0.974 0.000) 5.927 3.902 ( -8.057 3.601 0.000) 8.825 3.960 ( -6.445 -2.885 0.000) 7.061 4.756 ( -2.073 -0.396 0.000) 2.111 4.764 ( -1.051 -1.214 0.000) 1.606 5.261 ( -0.682 1.478 0.000) 1.628 5.315 ( -1.205 -4.138 -0.000) 4.310 5.591 ( 2.015 4.475 0.000) 4.908 5.673 ( 3.379 -3.018 -0.000) 4.531 6.140 ( 1.464 -4.053 -0.000) 4.310 6.154 ( 0.144 -4.549 -0.000) 4.552 7.383 ( 9.683 7.445 -0.000) 12.214 7.507 ( 5.965 -6.032 -0.000) 8.483 8.803 ( 11.849 2.140 -0.000) 12.040 8.813 ( 5.814 1.154 -0.000) 5.927 9.186 ( -1.205 -0.448 0.000) 1.285 9.208 ( 9.504 -3.776 -0.000) 10.226 10.054 ( -4.400 5.898 0.000) 7.359 10.214 ( -2.369 -10.503 -0.000) 10.767 13.124 ( -3.387 5.494 0.000) 6.455 13.190 ( -1.986 -2.550 -0.000) 3.232 13.294 ( 1.127 1.785 0.000) 2.111 13.355 ( 1.309 -3.858 -0.000) 4.074 14.805 ( -5.281 13.308 0.000) 14.317 14.964 ( -4.026 -2.288 0.000) 4.631 15.894 ( 1.491 4.618 0.000) 4.853 16.056 ( 1.805 -11.259 -0.000) 11.403 24.327 ( -4.829 3.344 0.000) 5.873 24.384 ( -3.229 -2.541 0.000) 4.108 24.969 ( -6.329 2.629 0.000) 6.854 25.021 ( -9.142 -3.081 0.000) 9.647 26.511 ( -7.858 -1.505 0.000) 8.001 26.526 ( -11.296 -3.025 0.000) 11.694 27.117 ( 17.265 22.207 0.000) 28.129 27.493 ( 16.065 -18.033 -0.000) 24.152 ======================= Grid point 219 (91/216) ======================= q-point: ( 0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -11.094 5.579 -5.189) 13.458 2.124 ( -6.605 11.471 -1.586) 13.331 2.311 ( -2.530 -7.313 1.199) 7.831 2.430 ( 2.271 -4.601 -4.713) 6.967 2.583 ( 1.745 2.225 -2.714) 3.919 2.738 ( -3.175 3.208 -4.074) 6.081 2.958 ( -0.616 -3.438 9.079) 9.727 3.086 ( -1.223 1.276 0.175) 1.776 3.562 ( -2.082 7.144 -5.790) 9.428 3.715 ( -11.454 -2.258 -5.884) 13.074 4.347 ( -5.949 2.828 3.997) 7.705 4.607 ( -11.548 0.283 -7.253) 13.640 5.109 ( 1.265 11.855 2.522) 12.186 5.489 ( -2.168 2.189 0.253) 3.091 5.705 ( 1.240 4.915 -7.993) 9.465 6.083 ( 9.095 4.743 1.117) 10.319 6.373 ( 4.016 2.831 4.048) 6.367 6.738 ( 9.676 -8.552 4.533) 13.686 7.216 ( -1.166 -6.712 1.313) 6.937 7.806 ( 1.182 -10.065 -4.564) 11.114 8.851 ( 6.998 7.827 9.234) 13.983 9.175 ( 1.788 -2.706 5.504) 6.389 9.367 ( 3.107 -3.723 -4.426) 6.565 9.999 ( 5.726 10.930 2.830) 12.660 10.302 ( 3.022 -2.854 0.399) 4.176 10.606 ( 4.142 -0.638 1.982) 4.636 12.299 ( -8.894 11.052 -4.515) 14.888 13.174 ( 0.860 -4.548 6.664) 8.113 13.462 ( 0.742 -11.877 -1.692) 12.020 13.646 ( -0.938 -3.511 -6.028) 7.038 14.158 ( -2.742 3.934 3.865) 6.159 14.745 ( -3.828 -2.710 1.157) 4.831 15.921 ( 6.325 7.907 -0.479) 10.137 16.223 ( -0.012 1.351 -2.892) 3.192 24.206 ( 0.373 -3.018 -0.784) 3.141 24.215 ( -1.164 -2.062 -1.432) 2.768 25.040 ( 7.396 0.781 7.836) 10.804 25.332 ( 6.835 2.080 -5.285) 8.887 25.667 ( -4.009 0.794 0.146) 4.090 26.162 ( -17.689 -15.027 -5.244) 23.795 27.294 ( 12.188 13.705 2.576) 18.521 28.341 ( 0.818 -0.134 2.259) 2.407 ======================= Grid point 220 (92/216) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -11.149 4.484 -1.613) 12.125 2.164 ( 3.827 -2.871 2.188) 5.261 2.286 ( 3.528 -4.121 -1.240) 5.565 2.445 ( -10.203 0.651 -0.429) 10.233 2.543 ( -0.653 3.159 -4.236) 5.324 2.758 ( 4.539 2.164 -1.634) 5.288 3.065 ( -11.427 -2.142 4.810) 12.581 3.165 ( -3.277 -0.137 5.698) 6.575 3.530 ( 2.715 5.305 -7.489) 9.571 3.827 ( -7.041 -4.439 0.183) 8.325 4.509 ( -7.369 3.051 4.866) 9.342 4.738 ( -10.547 -0.347 -6.275) 12.277 5.222 ( 2.744 10.070 8.605) 13.526 5.495 ( 3.642 2.865 -3.528) 5.824 5.654 ( 2.579 1.299 -4.140) 5.048 5.948 ( 11.891 3.349 0.182) 12.355 6.415 ( -2.498 -1.502 0.920) 3.056 6.523 ( 10.185 -7.369 0.368) 12.577 7.204 ( -5.986 -4.126 -1.081) 7.350 7.672 ( 2.187 -7.203 -2.892) 8.065 8.899 ( 5.382 7.310 9.579) 13.197 9.149 ( 1.824 -1.532 2.145) 3.205 9.246 ( 3.251 -4.106 -7.411) 9.075 9.998 ( 8.416 9.667 1.369) 12.890 10.129 ( 10.620 -9.590 -1.660) 14.405 10.540 ( 4.342 -2.869 0.430) 5.222 12.530 ( -9.258 12.453 -0.558) 15.527 13.160 ( -1.348 -5.522 2.360) 6.154 13.385 ( 0.449 -6.572 4.837) 8.172 13.562 ( 0.340 -3.581 -8.350) 9.092 14.277 ( -3.098 7.330 2.155) 8.244 14.792 ( -3.675 -1.022 0.779) 3.893 15.900 ( 4.177 4.950 0.292) 6.483 16.221 ( -1.421 -1.423 -1.032) 2.261 24.143 ( 1.117 -1.778 -0.441) 2.146 24.257 ( -5.551 -2.751 -0.960) 6.269 24.989 ( 8.183 1.121 8.914) 12.152 25.140 ( 9.431 1.609 -10.494) 14.201 25.867 ( -15.261 -1.248 6.070) 16.471 26.245 ( -15.085 -12.466 -4.840) 20.159 27.253 ( 13.941 17.148 1.184) 22.132 28.286 ( 4.847 -4.298 0.250) 6.483 ======================= Grid point 221 (93/216) ======================= q-point: (-0.64 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 4.541 -7.011 -0.000) 8.353 2.093 ( 1.842 -3.355 -0.000) 3.828 2.276 ( -10.382 1.640 0.000) 10.511 2.524 ( 4.007 8.599 0.000) 9.487 2.661 ( 6.980 1.792 -0.000) 7.206 2.678 ( -16.949 -5.308 0.000) 17.761 3.231 ( -1.611 -0.188 0.000) 1.622 3.237 ( -6.546 0.760 0.000) 6.590 3.542 ( -3.276 6.404 0.000) 7.193 3.862 ( -5.271 -6.516 0.000) 8.381 4.666 ( -5.595 1.317 0.000) 5.748 4.789 ( -3.310 -2.969 0.000) 4.446 5.339 ( 1.780 7.801 0.000) 8.001 5.367 ( 9.215 2.997 -0.000) 9.690 5.612 ( 1.604 -1.133 -0.000) 1.964 5.827 ( 6.107 0.248 -0.000) 6.112 6.330 ( 6.531 -5.712 -0.000) 8.677 6.374 ( 2.273 -8.228 -0.000) 8.536 7.341 ( -12.751 1.723 0.000) 12.867 7.561 ( 5.572 -1.556 -0.000) 5.785 8.953 ( 3.080 5.120 0.000) 5.975 9.060 ( 8.964 -3.997 -0.000) 9.815 9.148 ( 0.698 2.255 0.000) 2.361 9.821 ( 14.010 -13.159 -0.000) 19.221 9.965 ( 6.521 7.551 -0.000) 9.977 10.427 ( 4.179 -6.876 -0.000) 8.046 12.778 ( -8.149 11.828 0.000) 14.364 13.161 ( -3.501 -4.466 -0.000) 5.675 13.361 ( 1.788 -2.996 -0.000) 3.489 13.465 ( 1.030 -4.167 -0.000) 4.293 14.422 ( -3.922 10.746 0.000) 11.440 14.849 ( -3.772 0.228 0.000) 3.779 15.889 ( 2.489 3.022 -0.000) 3.915 16.213 ( -1.577 -5.058 -0.000) 5.298 24.144 ( -2.247 0.747 0.000) 2.368 24.310 ( -5.611 -3.605 0.000) 6.669 24.956 ( 6.246 1.552 -0.000) 6.436 24.969 ( 3.915 -0.050 -0.000) 3.916 26.132 ( -16.818 -1.852 0.000) 16.920 26.322 ( -12.210 -9.936 0.000) 15.742 27.209 ( 15.310 20.138 0.000) 25.297 28.122 ( 8.756 -8.812 -0.000) 12.423 ======================= Grid point 231 (94/216) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -15.583 8.541 -4.621) 18.361 1.814 ( -14.134 15.431 -1.691) 20.994 2.311 ( -4.373 -2.098 -3.918) 6.235 2.454 ( -5.093 -3.301 -0.920) 6.139 2.583 ( 3.780 4.364 2.884) 6.454 2.709 ( 5.979 -0.362 -3.994) 7.199 2.991 ( -7.093 -2.331 4.123) 8.529 3.080 ( 2.835 0.150 -1.355) 3.145 3.287 ( -18.881 11.547 -1.975) 22.220 3.531 ( -1.183 0.421 -8.532) 8.624 4.268 ( -11.466 1.776 5.526) 12.852 4.447 ( -1.602 -5.279 -5.335) 7.674 4.986 ( 0.007 15.602 -0.723) 15.618 5.386 ( -6.842 6.229 0.365) 9.259 5.602 ( 0.088 7.622 -4.909) 9.067 6.107 ( -0.082 -0.963 0.400) 1.046 6.571 ( 17.584 4.554 3.733) 18.543 6.994 ( 5.245 -12.245 5.267) 14.324 7.283 ( -0.362 -4.384 1.908) 4.795 7.917 ( 4.259 -11.211 -1.600) 12.099 8.896 ( 4.999 11.689 2.842) 13.027 9.307 ( 6.045 -2.389 6.389) 9.114 9.435 ( 2.763 -5.308 -2.531) 6.497 9.979 ( 2.514 10.654 2.026) 11.132 10.328 ( -0.968 0.729 1.262) 1.750 10.681 ( 3.367 -0.250 0.936) 3.504 12.030 ( -8.403 10.448 -3.839) 13.947 13.293 ( 0.397 -5.602 9.002) 10.610 13.483 ( -3.332 -7.880 -10.754) 13.742 13.713 ( 3.740 -8.504 1.224) 9.370 14.117 ( -3.019 -0.038 1.751) 3.490 14.722 ( -3.522 -2.958 0.401) 4.617 15.942 ( 9.118 11.778 -0.139) 14.896 16.182 ( 0.524 3.735 -2.484) 4.516 24.144 ( -3.668 -0.643 -1.329) 3.954 24.324 ( 5.518 -4.681 0.482) 7.252 25.110 ( -5.266 -1.934 2.776) 6.259 25.456 ( 13.942 4.071 4.741) 15.278 25.623 ( 5.237 4.279 -7.413) 10.034 26.008 ( -18.953 -18.303 -2.605) 26.477 27.370 ( 10.273 10.302 1.387) 14.614 28.341 ( -0.992 3.519 2.402) 4.375 ======================= Grid point 232 (95/216) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -12.351 5.800 0.000) 13.645 2.110 ( -7.711 11.735 0.000) 14.042 2.324 ( -7.123 -7.995 0.000) 10.708 2.384 ( 4.650 -3.924 -0.000) 6.084 2.568 ( 8.457 2.446 -0.000) 8.804 2.705 ( -6.705 3.755 0.000) 7.685 3.022 ( 0.556 -2.674 -0.000) 2.732 3.116 ( -7.719 -2.154 0.000) 8.014 3.499 ( 2.723 4.564 0.000) 5.314 3.661 ( -16.758 3.539 0.000) 17.127 4.407 ( -4.217 -0.733 0.000) 4.280 4.526 ( -13.664 1.490 0.000) 13.745 5.132 ( -0.100 15.308 0.000) 15.309 5.497 ( -1.080 3.147 0.000) 3.327 5.632 ( 0.458 3.907 0.000) 3.933 6.089 ( 7.771 4.708 -0.000) 9.085 6.406 ( 6.334 1.797 -0.000) 6.584 6.777 ( 11.178 -9.659 -0.000) 14.773 7.229 ( 0.144 -7.509 -0.000) 7.511 7.766 ( 0.860 -11.370 -0.000) 11.402 8.929 ( 6.731 12.246 0.000) 13.974 9.222 ( 3.894 -3.595 -0.000) 5.300 9.326 ( 2.403 -7.292 -0.000) 7.678 10.020 ( 6.445 11.300 0.000) 13.009 10.302 ( 4.108 -3.926 -0.000) 5.682 10.623 ( 4.176 -0.582 -0.000) 4.216 12.263 ( -9.780 12.306 0.000) 15.719 13.236 ( 1.215 -8.418 -0.000) 8.506 13.439 ( -2.210 -4.542 -0.000) 5.051 13.599 ( 1.765 -7.375 -0.000) 7.584 14.188 ( -2.926 3.977 0.000) 4.937 14.754 ( -3.565 -1.998 0.000) 4.086 15.918 ( 6.256 8.266 0.000) 10.367 16.199 ( -0.646 1.489 0.000) 1.623 24.193 ( -4.863 -1.649 0.000) 5.135 24.210 ( 4.077 -3.906 -0.000) 5.646 25.135 ( 3.107 -0.057 -0.000) 3.108 25.246 ( 15.578 3.120 -0.000) 15.887 25.686 ( -10.054 1.095 0.000) 10.114 26.116 ( -17.140 -15.577 0.000) 23.161 27.314 ( 12.304 13.716 -0.000) 18.426 28.358 ( 1.821 -0.123 -0.000) 1.825 ======================= Grid point 242 (96/216) ======================= q-point: ( 0.18 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -19.337 11.340 0.000) 22.417 1.400 ( -19.395 17.287 0.000) 25.981 2.088 ( -15.337 18.692 0.000) 24.179 2.330 ( -9.000 0.895 0.000) 9.045 2.648 ( 6.171 8.019 0.000) 10.119 2.742 ( -6.628 -2.025 0.000) 6.931 2.874 ( -5.834 -1.544 0.000) 6.035 3.032 ( 0.175 2.924 0.000) 2.929 3.111 ( 2.498 -0.415 -0.000) 2.532 3.535 ( 2.618 -4.285 -0.000) 5.022 4.083 ( -10.513 2.145 0.000) 10.730 4.513 ( 0.874 -8.872 -0.000) 8.915 4.840 ( 0.302 14.921 0.000) 14.924 5.196 ( -8.411 8.917 0.000) 12.258 5.503 ( 0.216 9.855 0.000) 9.857 6.145 ( 0.447 -5.630 -0.000) 5.648 6.797 ( 15.525 5.389 -0.000) 16.433 7.171 ( -3.981 -17.729 -0.000) 18.170 7.285 ( -2.639 0.347 0.000) 2.662 8.119 ( 10.969 -7.659 -0.000) 13.378 8.849 ( 0.759 9.952 0.000) 9.981 9.438 ( 6.566 4.334 -0.000) 7.867 9.487 ( 0.445 -3.144 -0.000) 3.175 9.924 ( 0.388 6.145 0.000) 6.157 10.310 ( -0.433 0.372 0.000) 0.571 10.723 ( 1.463 -0.350 -0.000) 1.504 11.816 ( -5.699 8.788 0.000) 10.474 13.370 ( -8.675 -5.671 0.000) 10.364 13.439 ( 1.382 -6.988 -0.000) 7.123 13.848 ( 4.295 -2.768 -0.000) 5.109 14.116 ( -2.132 -8.896 -0.000) 9.148 14.701 ( -3.025 -2.974 0.000) 4.242 15.993 ( 14.461 14.909 -0.000) 20.770 16.137 ( 0.684 5.419 0.000) 5.462 24.095 ( -2.460 -0.053 0.000) 2.460 24.454 ( 5.235 -4.409 -0.000) 6.844 25.023 ( -8.559 -3.085 0.000) 9.097 25.588 ( 4.153 6.125 0.000) 7.400 25.681 ( 5.022 0.544 -0.000) 5.052 25.936 ( -4.692 -15.628 -0.000) 16.318 27.431 ( 7.703 7.330 -0.000) 10.633 28.288 ( -1.327 5.924 0.000) 6.071 ======================= Grid point 253 (97/216) ======================= q-point: ( 0.18 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 0.000 18.990 -0.000) 18.990 0.880 ( 0.000 21.371 -0.000) 21.371 1.834 ( 0.000 43.352 -0.000) 43.352 2.183 ( 0.000 3.605 -0.000) 3.605 2.493 ( -0.000 -1.141 0.000) 1.141 2.742 ( 0.000 16.345 -0.000) 16.345 2.995 ( -0.000 -2.491 0.000) 2.491 3.051 ( -0.000 -2.407 0.000) 2.407 3.178 ( -0.000 -4.164 0.000) 4.164 3.555 ( -0.000 -8.928 0.000) 8.928 3.939 ( -0.000 -0.250 0.000) 0.250 4.456 ( -0.000 -11.538 0.000) 11.538 4.859 ( 0.000 16.301 -0.000) 16.301 5.043 ( 0.000 13.003 -0.000) 13.003 5.537 ( 0.000 11.110 -0.000) 11.110 6.149 ( -0.000 -7.502 0.000) 7.502 6.944 ( -0.000 -14.892 0.000) 14.892 7.086 ( 0.000 6.102 -0.000) 6.102 7.196 ( 0.000 2.002 -0.000) 2.002 8.492 ( -0.000 -12.340 0.000) 12.340 8.741 ( 0.000 18.486 -0.000) 18.486 9.493 ( 0.000 0.980 -0.000) 0.980 9.590 ( 0.000 16.075 -0.000) 16.075 9.886 ( -0.000 -3.623 0.000) 3.623 10.320 ( -0.000 -1.893 0.000) 1.893 10.730 ( -0.000 -1.049 0.000) 1.049 11.751 ( 0.000 9.130 -0.000) 9.130 13.157 ( -0.000 -0.593 0.000) 0.593 13.458 ( -0.000 -6.911 0.000) 6.911 13.930 ( 0.000 5.119 -0.000) 5.119 14.069 ( -0.000 -18.796 0.000) 18.796 14.642 ( -0.000 -3.630 0.000) 3.630 16.154 ( 0.000 6.213 -0.000) 6.213 16.338 ( -0.000 -0.571 0.000) 0.571 24.061 ( 0.000 0.508 -0.000) 0.508 24.548 ( -0.000 -3.985 0.000) 3.985 24.877 ( -0.000 -2.873 0.000) 2.873 25.372 ( -0.000 -4.290 0.000) 4.290 25.666 ( 0.000 7.162 -0.000) 7.162 26.269 ( -0.000 -2.331 0.000) 2.331 27.549 ( 0.000 6.035 -0.000) 6.035 28.242 ( -0.000 -0.636 0.000) 0.636 ======================= Grid point 254 (98/216) ======================= q-point: ( 0.27 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -9.854 16.051 12.524) 22.618 1.261 ( -18.240 15.883 8.303) 25.572 2.218 ( -2.723 17.491 0.467) 17.708 2.273 ( -2.843 13.880 6.576) 15.620 2.561 ( -8.699 -1.132 3.375) 9.399 2.816 ( 5.619 3.562 1.805) 6.893 2.930 ( 4.770 2.862 -1.410) 5.738 3.043 ( -0.884 -0.020 1.248) 1.530 3.178 ( 1.906 5.285 4.401) 7.137 3.490 ( -1.687 -7.407 1.855) 7.820 3.970 ( -5.623 0.160 -1.317) 5.777 4.388 ( -3.608 -11.759 1.021) 12.342 5.020 ( 1.074 18.765 1.579) 18.862 5.187 ( -4.385 12.909 -3.465) 14.067 5.648 ( 2.449 11.229 6.570) 13.238 6.082 ( -0.577 -6.017 -1.168) 6.157 6.846 ( -7.877 -14.632 -7.446) 18.210 7.033 ( 9.334 2.430 -0.877) 9.685 7.250 ( -2.571 1.728 -1.986) 3.679 8.222 ( 11.313 -8.693 -9.206) 16.979 8.947 ( -1.671 17.232 -1.198) 17.354 9.517 ( 3.398 -2.112 6.540) 7.666 9.601 ( 9.594 6.799 -6.029) 13.214 9.910 ( -6.352 4.029 -5.093) 9.084 10.305 ( 0.135 -0.175 0.863) 0.891 10.721 ( -0.247 -1.305 -0.208) 1.344 11.867 ( -1.892 10.923 3.402) 11.596 13.194 ( -5.442 -1.862 -3.414) 6.689 13.414 ( -0.556 -7.896 5.937) 9.895 13.842 ( 4.241 -14.917 -0.799) 15.529 14.011 ( -3.628 0.306 -1.202) 3.834 14.619 ( -2.232 -4.597 -0.812) 5.174 16.201 ( 2.090 5.576 -0.185) 5.958 16.268 ( 7.191 3.438 1.338) 8.082 24.078 ( -0.919 0.636 1.208) 1.646 24.477 ( 3.592 -4.712 -0.591) 5.954 24.902 ( -4.375 -2.714 2.526) 5.735 25.432 ( -12.868 -7.871 0.389) 15.089 25.713 ( 3.487 6.774 1.049) 7.691 26.120 ( 15.542 -1.018 1.556) 15.653 27.578 ( 3.465 7.477 -1.318) 8.346 28.246 ( -4.012 0.462 -5.408) 6.749 ======================= Grid point 255 (99/216) ======================= q-point: ( 0.36 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -11.650 12.037 9.869) 19.443 1.723 ( -15.681 10.387 9.940) 21.274 2.308 ( -2.546 0.629 -1.466) 3.004 2.438 ( 1.941 4.701 8.133) 9.592 2.671 ( 3.494 0.272 -0.866) 3.610 2.760 ( -1.842 -3.555 5.804) 7.051 2.913 ( 2.577 1.795 0.791) 3.239 3.153 ( -0.030 7.344 1.609) 7.518 3.258 ( -5.165 9.490 8.248) 13.593 3.550 ( -4.600 1.080 7.837) 9.151 4.089 ( -10.384 1.400 -2.892) 10.869 4.364 ( -4.774 -9.112 4.214) 11.116 5.183 ( 2.935 19.257 0.995) 19.505 5.349 ( -5.899 9.705 -2.625) 11.657 5.764 ( 3.423 9.326 9.888) 14.016 6.057 ( -2.901 -2.208 -0.712) 3.715 6.752 ( 0.676 -6.403 -10.127) 12.000 6.872 ( 8.053 -4.848 -1.697) 9.552 7.238 ( 1.183 -1.079 -4.115) 4.416 7.929 ( 8.347 -9.356 -4.118) 13.198 9.051 ( 4.562 13.945 -5.390) 15.631 9.357 ( 10.829 -2.323 -7.471) 13.360 9.508 ( 5.129 1.265 1.876) 5.606 9.998 ( -5.545 6.321 -9.934) 13.014 10.337 ( 0.443 3.315 2.845) 4.391 10.700 ( 1.301 -1.235 -0.866) 1.991 12.066 ( -5.431 11.508 6.435) 14.260 13.181 ( -1.302 -3.071 -7.031) 7.782 13.427 ( -2.999 -10.307 9.020) 14.021 13.642 ( 1.629 -13.804 -0.862) 13.926 14.064 ( -3.134 3.209 -3.087) 5.445 14.610 ( -4.080 -5.496 -1.978) 7.125 16.163 ( 7.766 6.707 -0.182) 10.263 16.267 ( 2.419 3.011 4.436) 5.882 24.117 ( -1.731 0.177 2.511) 3.054 24.357 ( 5.178 -4.826 -0.723) 7.115 24.975 ( -6.553 -1.483 -1.218) 6.828 25.563 ( -8.243 -4.250 -2.046) 9.497 25.672 ( 2.368 -3.581 -0.180) 4.297 25.919 ( 14.374 3.108 9.787) 17.665 27.569 ( 5.956 9.654 -2.738) 11.670 28.276 ( -4.792 -0.226 -5.946) 7.640 ======================= Grid point 256 (100/216) ======================= q-point: ( 0.45 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -9.680 7.135 6.732) 13.781 2.072 ( -11.749 5.434 9.255) 15.913 2.263 ( 3.490 -3.866 -3.466) 6.256 2.494 ( 1.850 -0.774 7.695) 7.952 2.610 ( 1.260 2.800 -0.238) 3.079 2.816 ( 3.235 1.314 4.413) 5.627 2.876 ( -1.578 -0.948 -2.056) 2.760 3.146 ( 3.942 0.034 5.313) 6.615 3.580 ( -9.638 11.124 6.208) 15.974 3.674 ( -0.650 -0.362 7.043) 7.083 4.252 ( -9.826 3.717 1.219) 10.576 4.479 ( -11.254 -3.208 8.197) 14.288 5.269 ( 6.067 14.806 -3.743) 16.433 5.480 ( -2.527 5.889 -0.469) 6.425 5.850 ( 3.588 4.273 8.753) 10.380 6.134 ( -4.531 3.770 1.405) 6.060 6.522 ( 14.104 2.256 -9.576) 17.196 6.704 ( 2.782 -10.405 -3.573) 11.348 7.166 ( 1.705 -1.516 -2.106) 3.105 7.759 ( 1.158 -10.392 2.979) 10.873 8.961 ( 10.700 6.420 -12.924) 17.965 9.146 ( 4.732 -1.574 -7.901) 9.343 9.482 ( 5.253 3.789 5.025) 8.197 10.052 ( -4.805 5.926 -10.645) 13.096 10.351 ( 5.054 2.787 2.204) 6.178 10.640 ( 3.596 -1.590 -1.665) 4.270 12.320 ( -7.018 10.909 6.320) 14.429 13.102 ( 0.564 -3.107 -6.000) 6.781 13.356 ( 0.551 -15.660 2.079) 15.807 13.612 ( -4.705 -4.656 6.180) 9.056 14.116 ( -3.249 4.707 -5.428) 7.885 14.610 ( -5.524 -6.084 -3.119) 8.789 16.108 ( 8.011 6.138 0.765) 10.121 16.284 ( 2.410 1.079 4.360) 5.098 24.169 ( -2.393 -0.899 3.540) 4.367 24.239 ( 4.257 -3.494 -0.036) 5.508 25.026 ( -3.113 0.039 -5.906) 6.676 25.432 ( 9.672 2.902 -6.074) 11.784 25.740 ( -7.908 -11.293 6.181) 15.109 25.903 ( 1.532 1.851 11.897) 12.137 27.541 ( 7.616 12.443 -4.116) 15.158 28.279 ( -2.914 -2.932 -5.313) 6.731 ======================= Grid point 257 (101/216) ======================= q-point: ( 0.55 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -7.014 3.160 2.621) 8.127 2.115 ( 5.224 -5.234 -4.520) 8.667 2.343 ( -10.454 3.250 7.592) 13.323 2.470 ( 6.728 -0.950 7.450) 10.083 2.673 ( -1.163 0.902 2.326) 2.752 2.731 ( 0.448 -2.546 -5.554) 6.126 2.942 ( 0.695 5.636 5.245) 7.730 3.142 ( 1.995 0.808 3.404) 4.027 3.666 ( 0.517 -3.806 0.614) 3.890 3.814 ( -3.860 6.970 6.865) 10.517 4.448 ( -4.541 5.442 4.563) 8.430 4.710 ( -12.872 -1.600 8.103) 15.294 5.181 ( 12.144 5.363 -9.069) 16.077 5.511 ( 2.466 2.501 -2.890) 4.549 5.858 ( 3.014 -1.693 3.501) 4.920 6.131 ( 8.463 5.631 -4.995) 11.326 6.409 ( 1.336 4.469 1.128) 4.799 6.548 ( 4.388 -6.074 0.343) 7.501 7.194 ( -4.635 2.671 5.254) 7.498 7.732 ( -2.872 -8.673 7.261) 11.671 8.710 ( 9.986 1.054 -15.476) 18.448 9.059 ( -0.536 -1.095 -5.317) 5.455 9.479 ( 4.962 5.092 3.015) 7.723 10.082 ( -0.515 5.158 -6.746) 8.507 10.262 ( 9.249 -1.205 2.046) 9.549 10.547 ( 4.188 -2.249 -1.163) 4.894 12.539 ( -4.997 8.087 0.682) 9.531 13.027 ( 0.484 -1.786 -4.746) 5.094 13.255 ( -2.505 -11.214 3.951) 12.151 13.714 ( -4.773 -2.441 8.686) 10.207 14.168 ( -3.788 6.434 -8.151) 11.054 14.616 ( -6.508 -6.347 -4.175) 10.003 16.037 ( 8.323 4.229 -0.013) 9.336 16.278 ( 2.583 -0.647 3.444) 4.353 24.173 ( 1.634 -1.110 1.413) 2.429 24.230 ( -3.070 -1.928 4.023) 5.415 24.943 ( 6.930 0.647 -6.934) 9.824 25.362 ( -2.930 2.352 -6.458) 7.472 25.728 ( 6.793 -4.215 10.917) 13.531 26.070 ( -13.343 -5.082 7.872) 16.304 27.509 ( 8.913 15.502 -5.001) 18.568 28.222 ( -0.369 -6.929 -4.275) 8.150 ======================= Grid point 258 (102/216) ======================= q-point: (-0.36 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 6.729 -5.135 -7.223) 11.128 2.092 ( -4.481 0.672 -0.104) 4.532 2.399 ( 6.771 0.323 1.831) 7.022 2.557 ( -5.187 1.236 6.520) 8.423 2.602 ( 2.814 -2.160 3.395) 4.910 2.769 ( -6.600 -0.560 -5.565) 8.652 3.031 ( 0.332 4.929 6.120) 7.865 3.127 ( 3.518 1.413 1.036) 3.931 3.637 ( -0.522 -2.068 -2.402) 3.213 3.944 ( 0.699 4.407 8.046) 9.200 4.491 ( 6.203 2.005 0.641) 6.550 4.892 ( 12.481 -2.142 -9.784) 16.003 4.979 ( -13.377 -0.334 6.867) 15.040 5.410 ( 6.083 -1.010 -6.151) 8.709 5.813 ( 1.853 -1.512 -0.548) 2.454 6.016 ( 6.964 3.958 -8.182) 11.451 6.369 ( 7.075 -1.006 -0.910) 7.204 6.545 ( -0.602 1.453 11.684) 11.789 7.397 ( -5.390 5.731 9.038) 11.982 7.773 ( -2.894 -3.300 7.630) 8.802 8.503 ( 1.940 -2.821 -9.502) 10.100 9.052 ( -3.538 -0.168 -2.579) 4.381 9.466 ( 3.672 3.113 0.427) 4.833 10.019 ( 10.500 5.487 -5.625) 13.115 10.131 ( 6.357 -6.093 8.198) 12.031 10.481 ( 1.011 -1.659 0.312) 1.968 12.576 ( 0.896 2.040 -11.602) 11.814 13.015 ( -1.358 0.487 2.596) 2.970 13.299 ( -6.383 -4.611 7.406) 10.810 13.836 ( -4.017 -0.955 9.598) 10.449 14.226 ( -4.846 8.018 -11.278) 14.662 14.623 ( -6.876 -6.354 -5.146) 10.683 15.929 ( 8.773 1.810 -1.752) 9.127 16.247 ( 2.709 -1.640 1.706) 3.597 24.187 ( -1.184 1.482 2.381) 3.044 24.290 ( -3.184 -2.518 4.228) 5.861 24.789 ( 6.143 0.009 -4.656) 7.708 25.410 ( -5.617 3.307 -7.019) 9.579 25.649 ( 8.504 -4.185 9.518) 13.432 26.304 ( -15.963 -4.661 6.694) 17.926 27.482 ( 10.294 18.214 -4.980) 21.506 28.097 ( 1.914 -11.548 -2.987) 12.081 ======================= Grid point 259 (103/216) ======================= q-point: (-0.27 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 9.545 -4.812 -6.982) 12.768 2.055 ( 7.428 -0.647 -7.200) 10.365 2.330 ( 1.271 -0.006 -2.633) 2.924 2.595 ( 1.198 1.958 11.379) 11.609 2.680 ( -2.176 -1.766 3.524) 4.502 2.833 ( -9.801 -0.014 -8.635) 13.062 3.053 ( 3.270 3.835 -1.821) 5.359 3.134 ( 1.490 0.689 5.765) 5.994 3.541 ( 7.840 -1.225 -8.875) 11.905 4.020 ( 2.045 2.370 10.750) 11.196 4.349 ( 10.488 -0.452 -3.435) 11.046 4.623 ( 7.860 -3.132 -7.801) 11.509 5.162 ( 4.447 1.435 -6.103) 7.687 5.349 ( -12.188 -2.580 5.851) 13.763 5.750 ( 3.781 0.708 -6.157) 7.260 5.875 ( 2.667 -0.392 -11.086) 11.409 6.209 ( 9.895 -1.797 0.610) 10.075 6.703 ( -2.027 2.292 16.422) 16.704 7.470 ( 6.773 2.124 4.539) 8.425 7.923 ( -7.637 1.837 9.595) 12.400 8.475 ( -6.442 -3.044 -1.208) 7.227 9.130 ( -6.384 1.672 1.989) 6.893 9.436 ( 2.355 -0.780 1.876) 3.111 9.815 ( 14.065 1.519 -4.520) 14.851 10.086 ( 5.319 -2.970 13.232) 14.567 10.493 ( -2.463 -0.590 1.742) 3.074 12.424 ( 4.380 -0.250 -16.712) 17.278 13.088 ( -1.919 0.787 6.592) 6.911 13.438 ( -6.710 -1.299 8.018) 10.536 13.964 ( -3.652 0.064 9.694) 10.359 14.285 ( -6.443 7.414 -14.977) 17.910 14.627 ( -6.469 -5.345 -5.875) 10.244 15.778 ( 9.326 -0.255 -3.627) 10.010 16.195 ( 2.635 -1.465 -0.582) 3.070 24.257 ( -3.059 1.911 2.373) 4.317 24.323 ( 0.602 -1.332 1.797) 2.317 24.734 ( -2.860 -0.703 0.429) 2.977 25.457 ( 3.635 4.823 2.152) 6.412 25.557 ( -0.599 -5.450 -2.820) 6.166 26.563 ( -16.083 -2.524 5.922) 17.324 27.450 ( 12.165 17.727 -3.859) 21.843 27.915 ( 3.473 -13.900 -1.594) 14.416 ======================= Grid point 260 (104/216) ======================= q-point: (-0.18 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 13.134 -0.000 -6.284) 14.560 1.792 ( 15.013 -0.000 -12.827) 19.746 2.303 ( 2.687 0.000 3.157) 4.146 2.659 ( 4.474 0.000 1.593) 4.749 2.731 ( -4.427 0.000 6.944) 8.235 2.922 ( -11.575 -0.000 -10.811) 15.839 3.023 ( 2.814 -0.000 -2.969) 4.091 3.128 ( 2.796 0.000 1.534) 3.189 3.230 ( 18.561 -0.000 -11.334) 21.748 4.091 ( 3.617 0.000 13.678) 14.149 4.130 ( 10.656 -0.000 -11.936) 16.000 4.496 ( 0.005 -0.000 -5.956) 5.956 4.971 ( 8.980 -0.000 -9.691) 13.212 5.504 ( 0.203 -0.000 -2.913) 2.920 5.575 ( 10.519 -0.000 -11.765) 15.782 5.901 ( -18.101 -0.000 -1.212) 18.142 6.125 ( 4.088 0.000 8.155) 9.123 6.872 ( -0.733 0.000 19.121) 19.135 7.390 ( 7.695 0.000 4.266) 8.798 8.112 ( -6.114 0.000 9.147) 11.002 8.565 ( -5.371 -0.000 0.672) 5.413 9.305 ( -9.311 0.000 7.950) 12.244 9.424 ( 0.776 0.000 2.632) 2.744 9.589 ( 13.185 0.000 1.400) 13.260 10.111 ( 3.044 0.000 12.587) 12.950 10.558 ( -3.864 0.000 2.798) 4.771 12.211 ( 5.917 -0.000 -17.134) 18.127 13.175 ( -1.217 0.000 8.548) 8.635 13.580 ( -4.733 0.000 7.212) 8.627 14.095 ( -3.815 0.000 9.410) 10.154 14.307 ( -8.163 -0.000 -19.114) 20.784 14.642 ( -5.554 -0.000 -6.353) 8.438 15.595 ( 9.700 -0.000 -5.006) 10.916 16.137 ( 2.121 -0.000 -2.914) 3.604 24.270 ( 4.393 -0.000 -1.674) 4.701 24.343 ( -4.602 0.000 2.026) 5.029 24.872 ( -11.307 0.000 5.830) 12.722 25.380 ( 13.042 0.000 9.780) 16.301 25.569 ( -10.689 -0.000 -14.380) 17.917 26.829 ( -14.836 0.000 5.193) 15.718 27.327 ( 14.319 0.000 -2.339) 14.509 27.766 ( 4.658 0.000 0.407) 4.676 ======================= Grid point 265 (105/216) ======================= q-point: ( 0.27 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.000 18.799 12.527) 22.590 1.034 ( 0.000 14.596 31.259) 34.499 1.966 ( 0.000 36.313 17.815) 40.448 2.203 ( 0.000 5.833 3.663) 6.887 2.500 ( 0.000 5.989 -0.019) 5.989 2.828 ( 0.000 9.016 11.632) 14.717 2.963 ( -0.000 -2.614 -3.800) 4.612 3.077 ( -0.000 -4.495 1.309) 4.682 3.238 ( -0.000 -2.058 9.441) 9.662 3.566 ( -0.000 -8.229 1.485) 8.362 3.920 ( -0.000 -0.376 -2.402) 2.432 4.468 ( -0.000 -11.026 1.681) 11.153 4.887 ( 0.000 15.723 3.537) 16.116 4.987 ( 0.000 13.010 -5.713) 14.209 5.638 ( 0.000 11.097 11.583) 16.041 6.114 ( -0.000 -4.940 -4.443) 6.644 6.737 ( 0.000 0.660 -21.470) 21.480 7.091 ( 0.000 0.695 -2.117) 2.228 7.172 ( 0.000 2.693 -3.005) 4.035 8.263 ( -0.000 -7.193 -19.193) 20.497 8.771 ( 0.000 16.838 3.764) 17.254 9.487 ( 0.000 12.333 -11.850) 17.103 9.703 ( -0.000 -4.861 15.466) 16.212 9.786 ( -0.000 -3.223 -12.830) 13.228 10.304 ( 0.000 1.326 -2.261) 2.621 10.723 ( -0.000 -0.581 -0.878) 1.053 11.807 ( 0.000 8.042 8.167) 11.461 13.139 ( -0.000 -0.603 -2.268) 2.347 13.551 ( -0.000 -11.236 9.969) 15.020 13.923 ( 0.000 3.488 -0.317) 3.502 14.051 ( -0.000 -17.716 -2.523) 17.895 14.637 ( -0.000 -4.757 -0.593) 4.793 16.170 ( 0.000 6.375 1.950) 6.667 16.294 ( 0.000 4.695 -4.770) 6.693 24.078 ( 0.000 0.397 2.232) 2.267 24.540 ( -0.000 -3.941 -0.756) 4.013 24.976 ( -0.000 -8.261 10.852) 13.639 25.372 ( -0.000 -4.393 -0.052) 4.394 25.695 ( 0.000 6.503 3.859) 7.562 26.276 ( -0.000 -2.449 0.844) 2.591 27.528 ( 0.000 6.281 -2.647) 6.816 28.109 ( 0.000 5.572 -15.289) 16.273 ======================= Grid point 266 (106/216) ======================= q-point: ( 0.36 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -4.828 13.795 15.504) 21.307 1.500 ( -10.861 15.530 20.007) 27.557 2.230 ( -3.704 4.284 0.996) 5.750 2.478 ( 0.981 15.146 18.149) 23.659 2.629 ( -4.833 8.738 5.839) 11.567 2.892 ( 4.151 -4.115 8.179) 10.053 2.898 ( 2.184 4.593 -1.996) 5.463 3.068 ( -0.037 1.753 2.432) 2.998 3.322 ( 2.299 2.848 13.707) 14.187 3.551 ( -4.571 -5.335 6.273) 9.419 3.934 ( -5.517 0.440 -3.047) 6.318 4.423 ( -3.736 -10.703 3.985) 12.016 5.067 ( 1.501 17.667 4.403) 18.269 5.119 ( -6.716 12.311 -4.032) 14.592 5.810 ( 3.384 11.225 13.242) 17.686 6.048 ( -0.881 -3.987 -3.196) 5.185 6.648 ( -4.580 -0.309 -16.838) 17.453 6.994 ( 6.789 -1.267 -4.438) 8.209 7.196 ( -1.524 1.706 -4.679) 5.208 8.034 ( 3.332 -8.054 -12.524) 15.259 8.935 ( 2.354 15.605 -0.381) 15.786 9.438 ( 5.383 6.090 -14.235) 16.392 9.565 ( 6.461 -2.870 -5.033) 8.678 9.791 ( -5.682 -1.109 -8.853) 10.578 10.327 ( 1.286 5.991 2.276) 6.536 10.712 ( 0.391 -0.202 -0.928) 1.027 11.979 ( -2.745 8.485 11.453) 14.516 13.129 ( -1.790 -1.378 -4.306) 4.862 13.542 ( -3.430 -11.201 9.236) 14.918 13.819 ( 4.461 -14.420 -2.170) 15.249 13.977 ( -3.104 -0.509 -2.857) 4.249 14.595 ( -2.475 -6.063 -2.215) 6.913 16.201 ( 5.783 7.386 0.384) 9.388 16.300 ( 1.776 4.654 2.581) 5.610 24.113 ( -1.239 0.436 3.179) 3.439 24.464 ( 3.862 -4.425 -0.910) 5.943 24.961 ( 0.199 -5.423 4.318) 6.935 25.442 ( -12.781 -7.396 0.796) 14.788 25.746 ( 4.756 3.880 3.307) 6.972 26.165 ( 11.218 -0.459 4.308) 12.026 27.539 ( 3.776 7.754 -3.727) 9.396 28.103 ( -6.000 4.744 -12.150) 14.358 ======================= Grid point 267 (107/216) ======================= q-point: ( 0.45 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -8.335 8.693 11.321) 16.528 1.909 ( -8.240 14.111 12.668) 20.676 2.296 ( -2.052 -2.042 -0.437) 2.928 2.582 ( 2.846 1.861 7.636) 8.359 2.667 ( 5.684 0.429 2.014) 6.045 2.846 ( 0.574 -0.270 5.162) 5.201 2.941 ( 5.338 -1.865 3.016) 6.408 3.229 ( -0.794 8.094 9.276) 12.336 3.415 ( -4.133 6.169 11.495) 13.684 3.707 ( -3.651 1.379 10.345) 11.057 4.063 ( -11.593 2.954 1.627) 12.074 4.458 ( -6.538 -6.981 8.351) 12.697 5.197 ( 3.884 15.007 0.825) 15.524 5.337 ( -7.066 10.101 1.521) 12.421 5.934 ( 4.285 6.161 10.114) 12.594 6.050 ( -3.576 2.216 1.189) 4.372 6.545 ( 4.458 2.674 -16.230) 17.042 6.818 ( 6.371 -5.792 -5.225) 10.072 7.167 ( 0.871 0.238 -4.658) 4.745 7.851 ( -0.100 -9.490 -6.066) 11.263 8.938 ( 8.474 10.494 -9.108) 16.275 9.217 ( 9.832 -1.950 -9.810) 14.025 9.520 ( 0.892 3.975 -0.522) 4.108 9.785 ( -8.575 2.295 -17.930) 20.007 10.382 ( 4.064 7.955 2.800) 9.361 10.685 ( 2.439 0.138 -0.829) 2.579 12.210 ( -4.959 8.166 11.979) 15.322 13.086 ( 0.108 -2.403 -5.099) 5.638 13.558 ( -0.392 -17.512 6.283) 18.609 13.632 ( -2.127 -7.026 0.835) 7.388 13.998 ( -2.477 2.110 -5.242) 6.169 14.566 ( -4.609 -7.001 -3.658) 9.146 16.171 ( 7.722 7.699 1.058) 10.956 16.340 ( 2.026 2.725 4.741) 5.831 24.168 ( -2.087 0.029 4.027) 4.536 24.345 ( 5.204 -4.113 -0.723) 6.673 24.950 ( -2.450 -2.916 -1.998) 4.301 25.516 ( 5.229 2.243 -3.380) 6.618 25.705 ( -8.559 -12.240 3.527) 15.347 26.093 ( 9.350 4.288 12.623) 16.283 27.507 ( 6.230 9.664 -5.325) 12.672 28.155 ( -6.738 1.869 -9.212) 11.565 ======================= Grid point 268 (108/216) ======================= q-point: ( 0.55 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -7.480 3.779 6.162) 10.401 2.193 ( -0.361 6.724 1.984) 7.020 2.235 ( -2.141 -3.528 3.497) 5.409 2.614 ( 4.545 3.645 2.578) 6.371 2.633 ( -0.217 -0.292 6.838) 6.848 2.822 ( 6.539 -3.606 -0.319) 7.475 2.925 ( -1.433 4.125 5.632) 7.127 3.250 ( 4.739 -2.025 8.423) 9.874 3.702 ( -4.930 8.154 8.623) 12.851 3.737 ( 1.000 0.069 1.696) 1.970 4.343 ( -9.620 6.220 10.212) 15.346 4.623 ( -10.122 -2.456 10.599) 14.860 5.227 ( 7.625 8.957 -1.059) 11.811 5.480 ( -0.737 5.278 0.171) 5.332 5.948 ( 3.698 0.086 2.876) 4.686 6.141 ( 3.342 3.933 -3.597) 6.291 6.375 ( 4.844 8.373 -5.454) 11.105 6.651 ( 3.591 -5.733 -3.231) 7.497 7.151 ( -1.863 1.482 0.248) 2.393 7.785 ( -5.586 -9.250 0.080) 10.806 8.743 ( 12.820 4.634 -14.748) 20.083 9.049 ( 3.319 -0.919 -3.755) 5.095 9.511 ( 2.004 1.218 -2.914) 3.741 9.861 ( -10.572 6.826 -12.862) 17.994 10.363 ( 7.886 5.592 -1.020) 9.721 10.632 ( 4.580 -0.078 1.126) 4.717 12.433 ( -4.226 6.347 7.871) 10.959 13.021 ( 0.537 -2.211 -3.401) 4.092 13.393 ( 1.160 -14.756 2.311) 14.981 13.716 ( -6.554 -3.667 6.823) 10.147 14.010 ( -2.554 3.413 -7.963) 9.033 14.549 ( -6.172 -7.477 -4.739) 10.791 16.122 ( 8.464 6.080 1.001) 10.469 16.353 ( 3.106 0.847 4.322) 5.389 24.232 ( -1.179 -0.754 2.532) 2.893 24.240 ( 2.550 -2.515 2.251) 4.230 24.934 ( -1.060 -1.255 -5.957) 6.180 25.345 ( 10.372 2.798 -5.167) 11.921 25.829 ( -14.942 -13.830 5.163) 21.005 26.116 ( 7.789 4.668 15.656) 18.099 27.457 ( 7.347 12.303 -6.870) 15.891 28.182 ( -4.806 -2.173 -7.107) 8.851 ======================= Grid point 269 (109/216) ======================= q-point: ( 0.64 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -1.169 -2.027 -1.635) 2.855 2.070 ( 1.852 -4.214 -1.102) 4.734 2.436 ( -6.129 5.780 4.682) 9.638 2.553 ( 8.109 -1.433 1.690) 8.406 2.671 ( 0.086 3.136 -1.165) 3.346 2.744 ( 2.392 -2.054 6.003) 6.781 3.026 ( -0.615 4.536 5.038) 6.807 3.222 ( 4.722 -1.343 7.084) 8.618 3.652 ( 2.618 -1.340 -2.177) 3.659 3.934 ( -2.899 6.581 8.683) 11.274 4.540 ( 0.697 5.227 6.867) 8.658 4.840 ( -10.798 -0.763 8.581) 13.814 5.083 ( 14.080 -0.725 -3.300) 14.480 5.459 ( 4.734 0.564 -3.554) 5.946 5.858 ( 4.831 -1.024 -4.238) 6.508 6.017 ( 6.441 4.100 -8.724) 11.593 6.432 ( 1.641 3.233 2.095) 4.187 6.583 ( 1.190 1.282 3.237) 3.679 7.298 ( -8.564 5.949 7.703) 12.964 7.817 ( -4.268 -5.997 3.716) 8.245 8.497 ( 6.651 0.251 -11.654) 13.420 9.010 ( -0.991 -1.301 -0.373) 1.677 9.466 ( 0.604 1.477 -5.310) 5.544 9.978 ( -3.967 7.082 -5.932) 10.054 10.250 ( 6.689 0.565 -3.751) 7.690 10.566 ( 5.760 -0.810 3.620) 6.851 12.518 ( 1.050 1.034 -3.304) 3.618 13.014 ( -1.389 0.498 3.690) 3.974 13.329 ( -3.428 -8.291 5.064) 10.302 13.841 ( -5.747 -1.384 7.414) 9.482 14.018 ( -3.103 4.665 -10.810) 12.176 14.541 ( -7.008 -7.476 -5.543) 11.650 16.037 ( 9.324 3.639 0.004) 10.009 16.326 ( 4.031 -0.639 2.724) 4.907 24.193 ( 1.230 0.314 1.128) 1.698 24.301 ( -2.825 -1.807 5.180) 6.171 24.849 ( 5.028 -0.354 -5.364) 7.360 25.243 ( -1.077 1.470 -7.976) 8.182 25.909 ( 0.856 -7.172 10.968) 13.133 26.207 ( -4.947 -0.769 10.813) 11.916 27.414 ( 7.950 15.679 -7.429) 19.084 28.146 ( -2.507 -7.170 -5.415) 9.328 ======================= Grid point 270 (110/216) ======================= q-point: (-0.27 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 6.238 -7.174 -6.223) 11.362 2.075 ( -0.223 -0.727 -2.095) 2.229 2.367 ( 7.451 -1.252 -3.351) 8.266 2.619 ( -5.551 2.916 1.041) 6.356 2.707 ( -0.806 1.986 2.417) 3.230 2.735 ( 2.498 -1.322 5.655) 6.322 3.077 ( 3.784 4.369 3.261) 6.636 3.207 ( 3.152 0.525 6.473) 7.219 3.586 ( 3.807 -0.093 -3.948) 5.486 4.063 ( -0.597 3.869 6.827) 7.870 4.509 ( 11.218 1.794 1.721) 11.490 4.803 ( 14.317 -4.853 -1.153) 15.161 5.077 ( -11.082 1.715 5.105) 12.321 5.330 ( 4.304 -3.212 -4.122) 6.770 5.753 ( 5.077 2.518 -7.722) 9.578 5.873 ( 4.894 -1.854 -8.924) 10.345 6.362 ( 7.500 -2.162 0.402) 7.816 6.692 ( -4.329 5.692 6.677) 9.784 7.544 ( -1.538 7.090 9.633) 12.059 7.850 ( -3.822 0.854 2.227) 4.505 8.415 ( -5.123 -5.122 -2.122) 7.549 9.052 ( -5.311 -1.161 2.473) 5.972 9.453 ( -0.735 1.904 -2.023) 2.874 9.946 ( 10.951 5.008 -3.318) 12.490 10.194 ( -3.132 -2.560 -0.639) 4.095 10.512 ( 3.434 -1.041 4.054) 5.415 12.399 ( 5.202 -1.917 -10.499) 11.873 13.106 ( -1.985 1.681 8.703) 9.083 13.407 ( -6.907 -3.096 6.360) 9.886 13.973 ( -4.715 0.326 7.310) 8.705 14.025 ( -3.991 5.504 -13.674) 15.271 14.536 ( -7.026 -6.965 -6.212) 11.681 15.906 ( 10.190 1.113 -1.225) 10.324 16.263 ( 4.577 -1.432 0.459) 4.817 24.220 ( -1.407 2.169 1.769) 3.133 24.357 ( -0.987 -1.449 4.230) 4.579 24.742 ( 2.817 -0.951 -1.476) 3.319 25.254 ( -7.366 1.134 -11.007) 13.292 25.850 ( 12.623 -2.769 13.863) 18.952 26.401 ( -13.868 -3.540 6.097) 15.557 27.395 ( 8.994 19.245 -6.240) 22.140 28.042 ( -0.638 -12.751 -3.989) 13.376 ======================= Grid point 271 (111/216) ======================= q-point: (-0.18 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 8.576 -5.853 -5.361) 11.685 1.925 ( 12.362 -1.040 -8.509) 15.043 2.313 ( -1.743 -0.633 -0.098) 1.857 2.691 ( -0.107 2.053 1.281) 2.423 2.724 ( -4.290 0.030 -4.820) 6.452 2.775 ( 0.267 0.515 6.250) 6.277 3.081 ( 5.276 3.433 6.693) 9.187 3.200 ( 4.657 1.381 2.800) 5.607 3.421 ( 12.061 -1.926 -6.549) 13.859 4.150 ( 0.064 4.271 3.954) 5.820 4.287 ( 14.968 -2.476 -3.408) 15.550 4.585 ( 10.775 -2.907 3.207) 11.612 5.054 ( 10.029 0.128 -7.326) 12.420 5.433 ( -13.053 -1.509 3.867) 13.697 5.622 ( 5.236 3.466 -9.454) 11.349 5.710 ( 0.892 -5.313 -9.090) 10.566 6.246 ( 5.566 -1.391 3.746) 6.852 6.878 ( -7.469 3.513 6.201) 10.323 7.552 ( 9.813 2.471 5.811) 11.669 8.038 ( -9.631 3.901 5.287) 11.659 8.477 ( -8.225 -4.033 0.897) 9.204 9.193 ( -9.951 0.139 5.427) 11.336 9.490 ( -0.471 0.704 4.704) 4.780 9.768 ( 12.246 1.296 -1.690) 12.429 10.222 ( -0.294 -1.565 4.288) 4.574 10.519 ( -2.105 -0.487 2.125) 3.031 12.203 ( 6.967 -1.312 -11.640) 13.630 13.223 ( -1.683 1.102 10.910) 11.094 13.545 ( -6.874 -0.975 5.720) 8.995 14.025 ( -5.260 5.354 -18.404) 19.875 14.102 ( -4.027 0.266 8.188) 9.128 14.530 ( -6.319 -5.178 -6.678) 10.551 15.733 ( 11.026 -0.675 -2.186) 11.261 16.175 ( 4.478 -1.272 -1.746) 4.972 24.288 ( -3.177 1.741 1.610) 3.965 24.339 ( 4.609 -0.244 0.355) 4.629 24.777 ( -7.303 -1.183 4.973) 8.914 25.302 ( -9.393 0.915 -12.361) 15.552 25.706 ( 16.358 -1.497 11.681) 20.156 26.639 ( -15.811 -2.334 4.036) 16.484 27.393 ( 11.217 19.864 -3.484) 23.077 27.878 ( 0.310 -16.064 -2.876) 16.323 ======================= Grid point 272 (112/216) ======================= q-point: (-0.09 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 13.297 0.000 -3.648) 13.788 1.617 ( 17.808 -0.000 -9.060) 19.980 2.341 ( -0.939 0.000 1.685) 1.929 2.676 ( 4.849 0.000 0.627) 4.889 2.787 ( -8.832 -0.000 -6.341) 10.873 2.814 ( -0.460 0.000 2.418) 2.462 2.929 ( 24.125 0.000 -6.283) 24.930 3.144 ( 4.137 0.000 0.616) 4.183 3.238 ( 4.840 0.000 9.961) 11.075 3.902 ( 18.108 -0.000 -16.810) 24.708 4.277 ( -1.225 0.000 8.995) 9.078 4.453 ( 6.918 0.000 0.900) 6.977 4.837 ( 9.347 -0.000 -7.801) 12.174 5.411 ( 4.211 -0.000 -6.882) 8.068 5.437 ( 12.146 -0.000 -5.975) 13.536 5.914 ( -24.983 -0.000 1.646) 25.037 6.239 ( 0.527 0.000 6.066) 6.089 7.074 ( -9.913 0.000 6.957) 12.111 7.456 ( 8.662 0.000 4.071) 9.571 8.218 ( -6.700 0.000 4.695) 8.182 8.580 ( -6.272 -0.000 0.948) 6.343 9.427 ( -13.306 0.000 6.959) 15.015 9.494 ( 8.502 0.000 6.577) 10.749 9.630 ( 4.441 0.000 2.167) 4.942 10.241 ( 0.981 0.000 4.739) 4.840 10.587 ( -4.963 -0.000 1.229) 5.113 11.999 ( 7.882 -0.000 -10.047) 12.770 13.344 ( -1.203 0.000 13.538) 13.591 13.668 ( -4.744 0.000 4.124) 6.286 13.984 ( -5.822 -0.000 -22.203) 22.954 14.225 ( -4.052 0.000 7.565) 8.582 14.540 ( -5.495 -0.000 -6.621) 8.604 15.537 ( 11.445 0.000 -2.536) 11.722 16.088 ( 3.525 -0.000 -2.990) 4.622 24.247 ( 5.846 0.000 -1.170) 5.962 24.370 ( -4.797 -0.000 1.256) 4.958 24.984 ( -12.711 0.000 8.409) 15.241 25.360 ( -10.118 -0.000 -12.568) 16.135 25.517 ( 16.702 0.000 7.326) 18.238 26.890 ( -15.086 -0.000 2.713) 15.328 27.300 ( 14.018 0.000 -1.176) 14.068 27.758 ( 0.785 -0.000 -1.093) 1.346 ======================= Grid point 273 (113/216) ======================= q-point: ( 0.00 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 13.235 0.000 -0.000) 13.235 1.543 ( 19.051 0.000 -0.000) 19.051 2.354 ( -2.056 -0.000 0.000) 2.056 2.681 ( 5.042 0.000 -0.000) 5.042 2.737 ( -7.549 -0.000 0.000) 7.549 2.815 ( 5.242 0.000 -0.000) 5.242 2.891 ( 25.020 0.000 -0.000) 25.020 3.149 ( 4.325 0.000 -0.000) 4.325 3.377 ( -4.653 -0.000 0.000) 4.653 3.716 ( 28.028 0.000 -0.000) 28.028 4.335 ( -8.013 -0.000 0.000) 8.013 4.494 ( 16.673 0.000 -0.000) 16.673 4.761 ( 7.834 0.000 -0.000) 7.834 5.350 ( 3.862 0.000 -0.000) 3.862 5.392 ( 12.330 0.000 -0.000) 12.330 5.929 ( -26.049 -0.000 0.000) 26.049 6.289 ( -0.376 -0.000 0.000) 0.376 7.117 ( -13.923 -0.000 0.000) 13.923 7.493 ( 9.439 0.000 -0.000) 9.439 8.254 ( -6.940 -0.000 0.000) 6.940 8.588 ( -7.239 -0.000 0.000) 7.239 9.486 ( -14.738 -0.000 0.000) 14.738 9.572 ( 12.221 0.000 -0.000) 12.221 9.634 ( -0.795 -0.000 0.000) 0.795 10.273 ( -0.161 -0.000 0.000) 0.161 10.597 ( -4.973 -0.000 0.000) 4.973 11.920 ( 8.835 0.000 -0.000) 8.835 13.534 ( -2.907 -0.000 0.000) 2.907 13.700 ( -4.736 -0.000 0.000) 4.736 13.720 ( -2.389 -0.000 0.000) 2.389 14.299 ( -3.857 -0.000 0.000) 3.857 14.472 ( -5.686 -0.000 0.000) 5.686 15.518 ( 12.063 0.000 -0.000) 12.063 16.062 ( 4.295 0.000 -0.000) 4.295 24.238 ( 6.278 0.000 -0.000) 6.278 24.379 ( -4.957 -0.000 0.000) 4.957 25.087 ( -15.166 -0.000 0.000) 15.166 25.225 ( -7.853 -0.000 0.000) 7.853 25.578 ( 18.065 0.000 -0.000) 18.065 26.911 ( -15.113 -0.000 0.000) 15.113 27.291 ( 13.904 0.000 -0.000) 13.904 27.747 ( -0.898 -0.000 0.000) 0.898 ======================= Grid point 277 (114/216) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.000 14.508 16.442) 21.928 1.425 ( 0.000 21.223 18.805) 28.356 2.169 ( 0.000 4.228 3.455) 5.460 2.477 ( 0.000 13.895 -2.982) 14.211 2.529 ( 0.000 22.346 41.673) 47.286 2.900 ( -0.000 -4.119 -3.681) 5.524 3.047 ( -0.000 -7.103 5.210) 8.809 3.104 ( 0.000 2.807 12.860) 13.163 3.459 ( -0.000 -1.630 17.622) 17.697 3.600 ( -0.000 -5.520 2.942) 6.255 3.874 ( -0.000 -1.330 -3.230) 3.493 4.518 ( -0.000 -9.290 5.388) 10.740 4.908 ( 0.000 12.645 -2.311) 12.854 4.973 ( 0.000 14.328 6.660) 15.800 5.848 ( 0.000 10.796 14.936) 18.430 6.023 ( 0.000 1.642 -6.855) 7.049 6.409 ( 0.000 8.509 -19.189) 20.991 7.013 ( 0.000 0.935 -7.718) 7.775 7.110 ( 0.000 4.140 -4.826) 6.359 8.031 ( -0.000 -9.073 -12.134) 15.151 8.846 ( 0.000 12.452 5.533) 13.625 9.246 ( 0.000 9.744 -18.651) 21.043 9.511 ( -0.000 -1.930 -22.284) 22.367 9.787 ( -0.000 -7.185 -5.733) 9.192 10.288 ( 0.000 8.541 1.792) 8.727 10.702 ( 0.000 0.868 -1.884) 2.075 12.009 ( 0.000 4.346 17.666) 18.193 13.098 ( -0.000 -0.565 -2.661) 2.720 13.661 ( -0.000 -6.572 1.574) 6.758 13.969 ( -0.000 -8.937 7.920) 11.942 13.985 ( -0.000 -14.716 -6.216) 15.976 14.626 ( -0.000 -7.877 -0.848) 7.922 16.208 ( 0.000 6.832 2.724) 7.355 16.227 ( 0.000 11.583 -3.322) 12.050 24.127 ( -0.000 0.079 4.052) 4.053 24.528 ( -0.000 -3.908 -0.971) 4.027 25.141 ( -0.000 -13.134 9.329) 16.110 25.370 ( -0.000 -4.702 -0.146) 4.705 25.785 ( 0.000 3.662 7.848) 8.661 26.293 ( -0.000 -2.841 1.362) 3.150 27.471 ( 0.000 7.066 -4.606) 8.435 27.848 ( 0.000 13.044 -17.043) 21.462 ======================= Grid point 278 (115/216) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -4.865 10.764 14.289) 18.540 1.777 ( -2.980 19.599 15.318) 25.052 2.243 ( -3.527 2.228 0.441) 4.195 2.573 ( 1.574 12.302 -1.864) 12.542 2.798 ( 3.701 -5.404 2.407) 6.978 2.946 ( 2.842 -4.027 5.383) 7.298 3.085 ( -1.979 7.526 23.486) 24.742 3.173 ( 4.608 7.031 14.836) 17.052 3.534 ( 3.651 -4.331 11.400) 12.730 3.691 ( -6.108 2.904 10.623) 12.594 3.903 ( -8.859 -0.322 1.458) 8.984 4.525 ( -3.374 -8.151 9.768) 13.162 5.082 ( -5.505 11.897 0.842) 13.136 5.165 ( -0.999 15.350 7.528) 17.126 5.986 ( -0.890 -1.401 -4.325) 4.633 6.027 ( 3.396 10.898 14.009) 18.071 6.380 ( -1.084 8.494 -17.118) 19.141 6.895 ( 5.044 -2.283 -8.553) 10.189 7.117 ( -0.304 3.006 -5.355) 6.149 7.858 ( -0.458 -8.887 -11.272) 14.361 8.913 ( 7.357 9.705 -3.664) 12.717 9.199 ( -1.095 4.357 -15.913) 16.535 9.371 ( -5.216 3.844 -17.021) 18.213 9.625 ( 2.667 -5.080 -13.455) 14.628 10.383 ( 3.512 10.535 4.664) 12.045 10.696 ( 1.297 2.040 -1.107) 2.659 12.208 ( -2.556 4.388 17.784) 18.495 13.075 ( -0.012 -1.186 -2.464) 2.735 13.637 ( -2.961 -5.217 0.934) 6.071 13.780 ( 2.002 -16.736 -3.502) 17.215 13.953 ( -1.309 -5.618 1.869) 6.064 14.554 ( -2.875 -8.995 -3.114) 9.943 16.212 ( 6.926 9.209 1.030) 11.568 16.341 ( -1.182 5.891 2.559) 6.531 24.171 ( -1.379 0.096 4.319) 4.534 24.451 ( 3.909 -4.160 -0.812) 5.766 25.017 ( 5.443 -7.223 2.764) 9.457 25.453 ( -11.421 -6.134 0.614) 12.978 25.810 ( 6.315 -1.287 4.793) 8.032 26.247 ( 4.112 0.543 6.292) 7.537 27.467 ( 4.772 8.339 -5.554) 11.098 27.907 ( -7.980 8.585 -12.634) 17.234 ======================= Grid point 279 (116/216) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -6.063 5.169 10.530) 13.205 2.084 ( -2.333 16.122 10.076) 19.154 2.287 ( -1.442 -3.149 -0.822) 3.560 2.599 ( 4.009 7.606 -2.188) 8.872 2.743 ( 1.668 -1.774 3.908) 4.604 2.935 ( -0.539 -0.683 6.199) 6.259 2.998 ( 11.663 -3.276 4.436) 12.901 3.430 ( 4.828 -2.389 13.795) 14.810 3.612 ( -6.684 7.753 15.957) 18.958 3.769 ( 2.615 2.247 -2.100) 4.037 4.208 ( -13.440 5.818 15.891) 21.610 4.625 ( -5.521 -3.986 13.298) 14.940 5.227 ( 2.115 9.996 4.049) 10.991 5.391 ( -3.750 9.977 5.100) 11.816 5.970 ( -0.969 0.426 -2.776) 2.971 6.152 ( 4.947 5.785 3.822) 8.517 6.301 ( 4.140 10.619 -10.008) 15.168 6.719 ( 4.740 -3.974 -7.441) 9.676 7.103 ( -0.514 2.226 -3.716) 4.363 7.742 ( -6.048 -8.579 -7.810) 13.084 8.777 ( 11.523 5.997 -11.941) 17.645 9.096 ( 2.902 -0.781 -4.812) 5.674 9.446 ( -3.481 -3.130 -21.729) 22.228 9.499 ( -10.152 9.650 -6.267) 15.344 10.414 ( 8.362 9.575 1.279) 12.777 10.686 ( 3.085 3.126 1.153) 4.541 12.419 ( -3.049 3.428 14.828) 15.522 13.035 ( 0.951 -2.043 -1.291) 2.597 13.562 ( 2.811 -12.678 -3.008) 13.329 13.686 ( -6.245 -4.460 1.084) 7.750 13.935 ( -1.829 -4.259 -0.804) 4.704 14.501 ( -5.418 -9.528 -4.771) 11.954 16.190 ( 7.846 7.920 1.321) 11.226 16.404 ( 1.478 3.234 3.596) 5.057 24.230 ( -2.003 -0.042 3.672) 4.183 24.340 ( 4.856 -3.473 0.405) 5.984 24.916 ( 1.314 -4.361 -2.335) 5.119 25.471 ( 10.210 3.488 -2.437) 11.061 25.761 ( -11.901 -15.157 3.537) 19.593 26.299 ( 4.741 5.136 14.101) 15.738 27.406 ( 6.988 9.570 -7.787) 14.180 28.011 ( -8.349 3.741 -9.159) 12.945 ======================= Grid point 280 (117/216) ======================= q-point: ( 0.64 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -4.529 0.021 5.767) 7.333 2.168 ( 4.493 -5.889 -2.305) 7.757 2.332 ( -3.398 9.100 6.496) 11.686 2.617 ( 1.422 7.997 -1.217) 8.213 2.727 ( 7.656 -1.659 4.228) 8.902 2.839 ( 5.724 -0.942 1.851) 6.089 3.015 ( -2.212 1.595 5.835) 6.441 3.389 ( 4.463 -5.591 8.751) 11.303 3.692 ( 5.016 1.363 -4.091) 6.615 3.896 ( -4.198 7.138 13.672) 15.984 4.525 ( -4.525 7.327 12.647) 15.300 4.794 ( -6.130 -0.736 11.086) 12.689 5.251 ( 8.514 3.374 4.138) 10.050 5.481 ( 2.442 3.443 -0.164) 4.224 5.907 ( 8.396 0.498 -10.592) 13.526 5.996 ( 4.870 4.605 -8.884) 11.129 6.413 ( -0.627 7.904 6.700) 10.381 6.608 ( 1.652 -0.426 -2.401) 2.946 7.164 ( -6.732 3.980 0.741) 7.855 7.778 ( -10.445 -6.394 0.508) 12.257 8.531 ( 11.717 2.901 -12.331) 17.255 9.048 ( 2.614 -0.700 3.508) 4.431 9.335 ( -6.145 -1.452 -19.407) 20.408 9.716 ( -12.856 7.798 -6.250) 16.284 10.328 ( 11.408 6.480 -2.894) 13.435 10.672 ( 5.217 3.013 3.586) 7.011 12.541 ( 0.986 -0.575 5.586) 5.701 13.024 ( -0.968 -0.233 4.239) 4.355 13.419 ( -0.069 -10.456 1.117) 10.516 13.761 ( -5.000 3.257 -5.055) 7.821 13.929 ( -3.649 -5.155 1.327) 6.453 14.468 ( -7.093 -9.502 -5.683) 13.149 16.136 ( 8.870 5.684 0.725) 10.560 16.410 ( 3.746 1.055 3.079) 4.963 24.231 ( 2.826 -0.618 -0.401) 2.920 24.318 ( -1.877 -1.244 5.398) 5.848 24.848 ( -0.034 -2.856 -5.124) 5.866 25.277 ( 12.595 2.814 -3.646) 13.411 25.894 ( -17.726 -14.703 3.411) 23.281 26.373 ( 9.037 6.068 17.731) 20.806 27.328 ( 6.848 11.869 -9.988) 16.957 28.073 ( -6.262 -1.516 -6.686) 9.285 ======================= Grid point 281 (118/216) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 4.173 -8.251 -2.038) 9.468 2.070 ( -0.741 -2.553 0.564) 2.718 2.488 ( 3.023 3.275 1.588) 4.731 2.550 ( 5.421 0.563 0.393) 5.464 2.667 ( 0.224 6.117 -0.500) 6.142 2.825 ( 2.658 0.646 3.565) 4.493 3.100 ( -1.192 2.095 4.869) 5.433 3.336 ( 4.930 -3.405 6.891) 9.132 3.610 ( 4.639 2.650 -2.927) 6.091 4.066 ( -0.691 4.222 7.621) 8.740 4.652 ( 6.407 5.284 8.229) 11.691 4.961 ( -7.785 0.452 6.455) 10.124 5.080 ( 15.012 -3.404 2.378) 15.576 5.404 ( 6.261 -0.791 -4.192) 7.576 5.735 ( 5.725 4.363 -9.207) 11.686 5.897 ( 4.221 -0.860 -7.301) 8.477 6.471 ( 3.505 0.107 2.859) 4.524 6.623 ( -0.974 5.748 1.682) 6.067 7.399 ( -13.349 7.418 4.463) 15.910 7.858 ( 0.891 0.324 2.095) 2.299 8.377 ( -2.155 -3.823 -3.279) 5.478 9.048 ( 0.373 -0.645 4.655) 4.714 9.316 ( -8.523 0.744 -13.267) 15.786 9.913 ( -8.703 5.443 -2.937) 10.677 10.173 ( 9.059 2.579 -5.187) 10.753 10.634 ( 6.381 1.308 4.444) 7.885 12.460 ( 5.992 -4.315 -3.552) 8.194 13.127 ( -2.607 2.234 10.336) 10.891 13.399 ( -4.346 -5.639 3.788) 8.065 13.793 ( -3.088 6.068 -13.467) 15.090 13.989 ( -5.227 -3.729 6.773) 9.333 14.450 ( -7.694 -9.008 -6.084) 13.317 16.036 ( 9.977 3.136 -0.098) 10.458 16.360 ( 5.490 -0.544 1.580) 5.738 24.206 ( 0.783 1.573 0.558) 1.844 24.382 ( -1.989 -1.023 5.130) 5.596 24.778 ( 1.454 -2.142 -3.959) 4.730 25.134 ( 3.488 1.428 -5.984) 7.072 26.034 ( -10.394 -10.931 5.361) 16.008 26.409 ( 7.735 3.766 14.833) 17.148 27.282 ( 5.866 15.888 -9.651) 19.493 28.066 ( -4.061 -7.502 -4.686) 9.732 ======================= Grid point 282 (119/216) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 5.867 -9.797 -3.521) 11.950 2.036 ( 5.678 -1.200 -2.420) 6.288 2.329 ( 5.095 -1.787 -1.501) 5.604 2.627 ( -1.585 3.323 0.495) 3.714 2.705 ( -0.550 1.661 -0.372) 1.789 2.813 ( 3.354 3.101 2.072) 5.016 3.172 ( 0.348 2.352 7.671) 8.031 3.287 ( 5.055 -0.233 4.060) 6.487 3.521 ( 7.742 1.785 -4.359) 9.062 4.131 ( -0.005 2.735 2.039) 3.411 4.550 ( 16.721 0.376 3.155) 17.020 4.849 ( 13.730 -2.657 6.830) 15.564 5.115 ( 0.733 2.206 -1.189) 2.611 5.280 ( -4.848 -2.979 -2.525) 6.225 5.614 ( 6.393 1.106 -7.779) 10.129 5.760 ( 4.110 -3.313 -5.941) 7.947 6.382 ( 6.867 -2.665 1.799) 7.583 6.748 ( -5.678 6.258 1.233) 8.540 7.679 ( 1.135 8.537 7.750) 11.586 7.845 ( -5.935 5.008 -2.518) 8.163 8.423 ( -8.772 -8.749 2.192) 12.582 9.112 ( -5.368 -0.759 4.445) 7.011 9.405 ( -9.259 2.791 -3.744) 10.370 9.926 ( 12.191 4.209 0.380) 12.902 10.142 ( -9.775 -1.113 -4.585) 10.854 10.580 ( 5.129 -0.246 3.774) 6.373 12.274 ( 7.995 -3.827 -5.638) 10.505 13.270 ( -1.790 2.323 12.389) 12.731 13.486 ( -7.250 -2.268 3.789) 8.489 13.777 ( -3.463 5.059 -16.358) 17.469 14.099 ( -4.334 -0.415 7.000) 8.244 14.439 ( -7.361 -8.072 -6.050) 12.488 15.892 ( 11.014 0.757 -0.666) 11.060 16.265 ( 6.346 -1.357 -0.101) 6.490 24.240 ( -1.612 2.641 0.849) 3.209 24.410 ( 2.762 0.070 2.428) 3.678 24.745 ( -3.173 -2.552 1.672) 4.402 25.100 ( -4.359 0.866 -8.368) 9.476 26.030 ( 9.486 -4.040 8.741) 13.517 26.492 ( -8.077 -1.688 5.540) 9.939 27.299 ( 6.741 20.633 -5.789) 22.465 27.985 ( -2.328 -14.051 -2.987) 14.552 ======================= Grid point 283 (120/216) ======================= q-point: (-0.09 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 7.699 -6.938 -2.062) 10.567 1.826 ( 15.404 -0.863 -3.614) 15.846 2.315 ( -3.055 -1.077 0.166) 3.243 2.662 ( -2.239 1.661 -1.785) 3.311 2.713 ( 0.806 0.557 0.381) 1.051 2.818 ( 1.615 3.467 0.599) 3.871 3.215 ( 9.527 1.535 6.182) 11.460 3.230 ( 7.525 0.526 2.809) 8.050 3.342 ( 5.427 -1.243 -3.902) 6.798 4.123 ( 17.160 7.357 -3.716) 19.037 4.275 ( 4.360 -7.030 0.353) 8.280 4.700 ( 14.663 -0.277 9.192) 17.308 4.935 ( 10.513 -0.570 -7.714) 13.053 5.443 ( 2.590 -2.450 -2.217) 4.199 5.518 ( -7.705 4.325 -2.494) 9.181 5.624 ( -2.524 -6.463 -2.263) 7.299 6.300 ( 3.203 -0.971 2.389) 4.112 6.917 ( -10.178 3.063 0.311) 10.634 7.625 ( 10.985 3.021 2.871) 11.749 8.088 ( -11.416 5.519 1.495) 12.768 8.490 ( -7.908 -5.024 0.531) 9.384 9.266 ( -11.762 -0.496 3.041) 12.159 9.552 ( -6.046 2.339 2.541) 6.962 9.758 ( 12.355 1.079 0.014) 12.402 10.242 ( -5.427 -0.923 -0.255) 5.511 10.551 ( 0.073 -0.545 1.467) 1.567 12.080 ( 8.818 -1.840 -4.148) 9.917 13.416 ( -1.883 1.857 13.189) 13.451 13.607 ( -6.940 -0.892 2.172) 7.326 13.743 ( -3.613 3.323 -16.554) 17.267 14.211 ( -3.709 1.191 5.237) 6.527 14.434 ( -6.503 -6.022 -4.845) 10.101 15.711 ( 11.895 -0.810 -0.729) 11.945 16.152 ( 5.966 -1.220 -0.903) 6.156 24.305 ( -3.434 1.667 0.557) 3.858 24.340 ( 6.738 0.293 -0.083) 6.745 24.866 ( -10.819 -1.606 5.308) 12.158 25.139 ( -7.592 0.688 -7.682) 10.822 25.842 ( 17.833 -1.159 5.093) 18.582 26.684 ( -15.009 -2.177 1.591) 15.249 27.350 ( 10.123 22.190 -1.657) 24.446 27.841 ( -1.567 -18.267 -1.516) 18.397 ======================= Grid point 289 (121/216) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 11.084 15.849) 19.340 1.656 ( 0.000 25.598 12.827) 28.632 2.191 ( 0.000 2.606 0.064) 2.607 2.414 ( 0.000 17.407 -5.074) 18.131 2.853 ( -0.000 -3.413 -1.093) 3.584 3.030 ( -0.000 -6.811 -2.412) 7.225 3.238 ( 0.000 7.549 43.677) 44.325 3.374 ( -0.000 -0.502 15.703) 15.711 3.657 ( 0.000 3.097 4.737) 5.659 3.720 ( -0.000 -2.478 14.551) 14.760 3.850 ( -0.000 -5.046 2.659) 5.704 4.647 ( -0.000 -5.883 11.554) 12.966 4.941 ( 0.000 11.035 8.013) 13.637 5.101 ( 0.000 12.413 9.849) 15.846 5.922 ( 0.000 5.200 -6.146) 8.051 6.075 ( 0.000 9.864 14.144) 17.244 6.160 ( 0.000 7.549 -13.936) 15.849 6.863 ( 0.000 1.869 -11.512) 11.662 7.033 ( 0.000 5.024 -5.009) 7.095 7.839 ( -0.000 -8.674 -14.437) 16.842 8.913 ( 0.000 5.264 0.499) 5.288 8.943 ( 0.000 7.274 -19.953) 21.238 9.150 ( 0.000 1.748 -21.243) 21.314 9.598 ( -0.000 -5.143 -15.638) 16.462 10.349 ( 0.000 12.007 5.114) 13.050 10.667 ( 0.000 3.276 -2.726) 4.261 12.320 ( -0.000 0.835 22.175) 22.190 13.070 ( -0.000 -0.399 -0.606) 0.725 13.608 ( 0.000 1.316 -6.846) 6.971 13.855 ( -0.000 -10.772 -10.847) 15.287 14.137 ( -0.000 -20.014 12.140) 23.408 14.611 ( -0.000 -11.940 -1.212) 12.001 16.199 ( 0.000 14.068 -0.375) 14.073 16.246 ( 0.000 7.561 2.051) 7.834 24.198 ( -0.000 -0.402 5.150) 5.166 24.508 ( -0.000 -3.594 -1.612) 3.939 25.249 ( -0.000 -12.205 4.994) 13.187 25.367 ( -0.000 -5.214 -0.304) 5.223 25.925 ( -0.000 -0.583 9.905) 9.922 26.313 ( -0.000 -3.584 1.084) 3.744 27.394 ( 0.000 8.491 -5.154) 9.933 27.613 ( 0.000 15.502 -13.408) 20.496 ======================= Grid point 290 (122/216) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -3.873 8.238 12.676) 15.606 1.979 ( -0.720 21.088 11.559) 24.059 2.237 ( -3.275 1.910 -1.303) 4.009 2.518 ( 1.895 14.855 -4.879) 15.751 2.797 ( 1.346 -4.284 -0.276) 4.499 2.971 ( -1.998 -4.735 0.127) 5.140 3.296 ( 14.123 -3.292 9.570) 17.375 3.604 ( -6.500 2.789 20.668) 21.845 3.669 ( 7.612 -5.354 9.816) 13.526 3.749 ( 1.672 5.309 1.364) 5.730 4.094 ( -13.192 4.649 22.174) 26.217 4.721 ( -1.610 -3.836 14.692) 15.269 5.166 ( -4.161 9.420 10.557) 14.748 5.303 ( -0.963 13.081 10.665) 16.905 5.903 ( -1.491 0.850 -6.447) 6.672 6.137 ( 3.345 10.180 -14.612) 18.120 6.232 ( 2.808 9.504 12.117) 15.654 6.741 ( 3.850 -1.130 -10.933) 11.646 7.038 ( -0.204 3.441 -4.943) 6.026 7.665 ( -2.715 -7.075 -14.129) 16.033 8.775 ( 6.033 3.514 -15.421) 16.928 8.974 ( -8.390 3.185 -12.833) 15.659 9.140 ( -5.742 4.493 -10.940) 13.147 9.417 ( 3.297 -1.325 -11.977) 12.493 10.452 ( 6.390 11.686 3.889) 13.875 10.682 ( 1.269 5.345 -0.560) 5.522 12.503 ( -1.432 0.279 20.217) 20.270 13.062 ( 0.720 -0.987 0.855) 1.491 13.578 ( -0.862 2.006 -6.836) 7.176 13.675 ( -0.639 -10.660 -10.008) 14.635 14.052 ( -0.631 -16.625 9.037) 18.933 14.502 ( -3.403 -12.834 -3.696) 13.783 16.230 ( 6.814 9.794 1.227) 11.994 16.375 ( -2.173 6.907 1.798) 7.460 24.240 ( -0.937 -0.460 4.598) 4.715 24.437 ( 3.165 -3.634 -1.111) 4.946 25.046 ( 9.168 -7.852 1.096) 12.121 25.461 ( -9.502 -4.792 0.325) 10.647 25.882 ( 8.336 -6.212 4.334) 11.263 26.352 ( -4.211 1.450 7.063) 8.350 27.373 ( 7.151 9.296 -6.442) 13.381 27.734 ( -9.329 10.387 -9.528) 16.902 ======================= Grid point 291 (123/216) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -4.312 2.598 8.687) 10.040 2.210 ( 1.072 9.479 4.719) 10.643 2.279 ( -1.517 2.494 1.574) 3.317 2.550 ( 3.278 10.037 -4.149) 11.344 2.776 ( -1.403 0.573 1.071) 1.856 3.005 ( -3.209 -2.692 3.011) 5.158 3.085 ( 17.037 -1.429 6.266) 18.209 3.571 ( 3.053 -8.320 5.446) 10.402 3.700 ( 3.584 3.329 -4.995) 6.992 3.902 ( -3.904 4.395 17.327) 18.297 4.482 ( -6.445 8.756 19.904) 22.680 4.834 ( -1.454 -0.122 12.304) 12.390 5.336 ( 1.844 6.026 9.872) 11.712 5.476 ( 1.292 6.891 5.144) 8.696 5.898 ( -0.099 2.509 -7.531) 7.939 5.963 ( 11.256 7.018 -15.843) 20.663 6.386 ( -0.590 8.641 9.252) 12.673 6.606 ( 2.717 -0.098 -6.792) 7.316 7.044 ( -3.531 1.716 -4.424) 5.915 7.651 ( -11.554 -3.893 -2.221) 12.393 8.577 ( 7.990 1.504 -14.140) 16.311 9.056 ( -4.950 1.766 -14.386) 15.316 9.100 ( -3.757 -1.798 -5.699) 7.059 9.415 ( -8.711 6.737 -6.546) 12.811 10.422 ( 11.915 9.593 -0.051) 15.297 10.715 ( 3.230 6.575 2.310) 7.681 12.641 ( 0.820 -2.415 13.194) 13.438 13.055 ( -0.003 -0.955 4.232) 4.339 13.501 ( 0.505 -7.596 -4.722) 8.958 13.605 ( -3.267 3.314 -9.721) 10.777 13.997 ( -2.748 -13.165 6.771) 15.057 14.424 ( -6.462 -12.771 -5.030) 15.171 16.208 ( 7.911 7.587 0.943) 11.002 16.448 ( 1.159 3.988 2.092) 4.650 24.269 ( 0.995 -0.731 1.276) 1.775 24.362 ( 1.484 -2.252 2.301) 3.545 24.881 ( 4.042 -5.566 -2.088) 7.189 25.442 ( 12.581 3.829 -1.394) 13.225 25.807 ( -12.936 -16.611 2.368) 21.187 26.516 ( -0.557 5.960 13.938) 15.169 27.271 ( 9.065 9.241 -9.713) 16.184 27.889 ( -9.014 4.970 -6.430) 12.136 ======================= Grid point 292 (124/216) ======================= q-point: ( 0.73 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -2.004 -3.127 5.082) 6.295 2.130 ( 3.686 -7.465 -2.765) 8.773 2.427 ( -1.460 10.234 5.868) 11.887 2.580 ( 0.935 9.263 -3.408) 9.914 2.779 ( 13.231 -2.283 2.973) 13.752 2.856 ( 3.282 1.322 0.058) 3.539 3.090 ( -2.462 0.699 3.544) 4.371 3.496 ( 2.799 -7.618 4.987) 9.526 3.629 ( 5.356 4.633 -3.464) 7.883 4.084 ( -1.125 3.650 9.216) 9.976 4.732 ( 1.333 7.937 14.612) 16.682 4.934 ( -1.412 1.600 6.155) 6.515 5.326 ( 11.640 0.079 4.020) 12.315 5.456 ( 5.999 1.860 -5.101) 8.091 5.722 ( 6.826 5.150 -6.784) 10.915 5.890 ( 2.873 2.581 -7.180) 8.153 6.507 ( 0.718 4.702 4.703) 6.689 6.577 ( -0.365 3.475 -1.699) 3.886 7.152 ( -12.383 2.608 -2.243) 12.852 7.845 ( -7.238 1.712 8.009) 10.930 8.385 ( 3.636 -2.252 -6.225) 7.553 8.996 ( -10.592 0.477 -21.004) 23.529 9.140 ( 2.623 0.035 6.343) 6.864 9.627 ( -16.506 4.767 -5.721) 18.108 10.290 ( 14.380 7.521 -1.734) 16.321 10.724 ( 5.551 5.130 2.748) 8.042 12.599 ( 6.155 -6.461 2.215) 9.194 13.145 ( -3.380 1.359 10.625) 11.232 13.428 ( -1.886 -6.016 -0.050) 6.305 13.603 ( -1.700 5.506 -12.397) 13.671 14.008 ( -5.156 -7.825 5.833) 11.038 14.383 ( -8.200 -12.109 -5.044) 15.470 16.144 ( 9.111 5.223 0.324) 10.507 16.446 ( 4.211 1.403 1.534) 4.696 24.225 ( 2.769 0.244 -0.303) 2.797 24.393 ( -2.173 -0.624 4.005) 4.599 24.780 ( 0.479 -4.578 -3.506) 5.786 25.234 ( 14.481 2.943 -1.889) 14.898 25.933 ( -18.732 -15.120 1.683) 24.132 26.649 ( 9.019 7.385 17.962) 21.413 27.149 ( 5.959 10.959 -13.440) 18.338 27.989 ( -6.863 -1.009 -4.004) 8.010 ======================= Grid point 293 (125/216) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 5.911 -11.713 -0.640) 13.135 2.078 ( -0.717 -2.368 0.336) 2.497 2.487 ( 12.875 -1.204 -0.526) 12.942 2.584 ( 0.279 6.157 2.735) 6.743 2.647 ( -0.383 6.097 -1.864) 6.387 2.852 ( 3.123 2.277 0.545) 3.903 3.161 ( -3.261 0.922 2.335) 4.116 3.415 ( 4.079 -5.161 2.965) 7.215 3.573 ( 6.753 5.799 -1.529) 9.031 4.143 ( 1.905 2.138 2.330) 3.692 4.788 ( 10.998 3.599 7.665) 13.881 5.010 ( -2.479 2.266 0.028) 3.359 5.151 ( 10.899 -0.850 7.093) 13.032 5.293 ( 7.720 0.213 -10.143) 12.748 5.676 ( 5.626 1.311 2.203) 6.183 5.781 ( 2.835 -1.191 -7.417) 8.029 6.508 ( 4.376 -1.908 1.525) 5.012 6.635 ( -1.495 7.627 0.082) 7.773 7.430 ( -19.187 5.730 0.395) 20.028 7.882 ( 11.998 9.507 0.782) 15.328 8.390 ( -10.614 -11.175 2.977) 15.697 9.100 ( -10.052 2.920 -3.014) 10.893 9.141 ( -4.505 0.819 -2.777) 5.355 9.876 ( -15.785 1.356 -1.654) 15.929 10.117 ( 14.190 5.390 -1.854) 15.292 10.684 ( 6.445 2.447 1.811) 7.128 12.422 ( 8.398 -6.550 -1.257) 10.724 13.306 ( -3.431 2.343 11.526) 12.252 13.443 ( -4.271 -3.157 2.452) 5.850 13.574 ( -2.370 4.298 -13.872) 14.715 14.082 ( -5.005 -2.117 4.134) 6.828 14.369 ( -8.557 -11.218 -3.695) 14.585 16.035 ( 10.278 2.831 -0.068) 10.661 16.375 ( 6.403 -0.442 0.501) 6.437 24.211 ( 0.545 2.291 0.144) 2.360 24.445 ( -0.593 0.403 2.530) 2.630 24.731 ( -2.663 -4.454 -1.835) 5.504 25.069 ( 7.378 1.784 -2.248) 7.917 26.084 ( -14.902 -12.013 1.483) 19.199 26.614 ( 15.625 4.702 9.580) 18.922 27.140 ( 1.689 16.525 -7.166) 18.091 28.014 ( -4.711 -7.670 -1.859) 9.191 ======================= Grid point 294 (126/216) ======================= q-point: (-0.09 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 5.691 -11.162 -0.000) 12.530 2.015 ( 8.518 -1.059 -0.000) 8.584 2.318 ( 3.751 -1.953 -0.000) 4.229 2.633 ( 0.910 3.462 0.000) 3.580 2.701 ( -1.255 2.112 0.000) 2.457 2.824 ( 3.995 4.236 -0.000) 5.823 3.241 ( -3.552 1.490 0.000) 3.852 3.329 ( 4.098 -2.000 -0.000) 4.560 3.475 ( 11.982 3.809 -0.000) 12.573 4.142 ( 1.166 2.660 0.000) 2.904 4.578 ( 19.915 -1.572 -0.000) 19.977 4.961 ( 12.636 2.192 -0.000) 12.825 5.049 ( 9.375 -1.292 -0.000) 9.464 5.261 ( -12.455 0.247 0.000) 12.457 5.556 ( 7.157 -3.343 -0.000) 7.899 5.708 ( 3.291 -2.138 -0.000) 3.925 6.400 ( 6.375 -2.613 -0.000) 6.890 6.753 ( -5.704 6.029 0.000) 8.300 7.767 ( 12.990 7.900 -0.000) 15.204 7.795 ( -18.408 7.912 0.000) 20.037 8.446 ( -8.698 -10.630 0.000) 13.735 9.153 ( -4.818 -0.511 0.000) 4.845 9.369 ( -14.102 3.987 0.000) 14.655 9.935 ( 13.715 3.515 -0.000) 14.158 10.098 ( -13.047 -0.642 0.000) 13.063 10.611 ( 5.365 0.128 -0.000) 5.366 12.230 ( 9.052 -4.409 -0.000) 10.069 13.431 ( -1.634 3.257 0.000) 3.644 13.519 ( -6.691 -1.658 0.000) 6.893 13.581 ( -3.781 3.099 0.000) 4.889 14.164 ( -3.836 1.160 0.000) 4.008 14.380 ( -7.901 -9.747 0.000) 12.547 15.887 ( 11.274 0.648 -0.000) 11.293 16.263 ( 7.078 -1.336 -0.000) 7.203 24.246 ( -1.691 2.814 0.000) 3.283 24.428 ( 4.840 0.811 -0.000) 4.908 24.767 ( -7.705 -3.721 0.000) 8.556 25.027 ( -1.536 1.239 0.000) 1.973 26.099 ( 6.493 -5.080 -0.000) 8.244 26.543 ( -3.505 -0.754 0.000) 3.586 27.247 ( 5.087 21.469 0.000) 22.064 27.961 ( -2.856 -14.592 -0.000) 14.869 ======================= Grid point 301 (127/216) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -0.000 8.795 13.577) 16.176 1.834 ( 0.000 25.324 10.242) 27.317 2.173 ( 0.000 3.145 -2.338) 3.919 2.324 ( 0.000 19.226 -6.627) 20.337 2.857 ( 0.000 -5.213 1.571) 5.444 2.989 ( -0.000 -6.286 -2.838) 6.897 3.544 ( -0.000 -0.492 6.653) 6.671 3.599 ( -0.000 -0.081 4.591) 4.592 3.743 ( 0.000 -1.951 5.012) 5.379 3.865 ( -0.000 -3.928 4.271) 5.803 4.171 ( 0.000 4.702 37.878) 38.169 4.843 ( 0.000 -1.899 12.127) 12.275 5.164 ( 0.000 7.462 19.577) 20.951 5.277 ( 0.000 11.143 13.570) 17.559 5.821 ( -0.000 2.424 -7.991) 8.351 5.969 ( 0.000 9.259 -11.216) 14.544 6.268 ( -0.000 8.233 10.712) 13.510 6.674 ( 0.000 3.189 -12.543) 12.942 6.969 ( -0.000 3.750 -2.694) 4.617 7.563 ( -0.000 -5.656 -21.461) 22.194 8.664 ( 0.000 6.127 -15.698) 16.852 8.701 ( 0.000 1.613 -20.023) 20.088 9.063 ( 0.000 3.004 3.383) 4.525 9.373 ( 0.000 -4.380 -12.757) 13.488 10.427 ( 0.000 12.794 4.948) 13.717 10.620 ( -0.000 6.315 -3.365) 7.156 12.669 ( -0.000 -1.960 22.935) 23.019 13.086 ( 0.000 -0.292 2.768) 2.783 13.482 ( -0.000 3.262 -9.006) 9.578 13.655 ( 0.000 -6.857 -15.133) 16.614 14.311 ( -0.000 -22.035 10.209) 24.285 14.585 ( 0.000 -15.727 -2.370) 15.905 16.209 ( 0.000 13.552 1.483) 13.633 16.266 ( 0.000 8.614 0.497) 8.628 24.280 ( 0.000 -1.000 5.398) 5.490 24.476 ( 0.000 -3.042 -2.641) 4.029 25.304 ( -0.000 -9.917 2.536) 10.236 25.361 ( -0.000 -5.928 -0.531) 5.952 26.075 ( -0.000 -3.707 9.422) 10.125 26.319 ( -0.000 -4.628 -0.580) 4.665 27.324 ( 0.000 10.537 -3.605) 11.136 27.440 ( -0.000 15.412 -9.217) 17.958 ======================= Grid point 302 (128/216) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -2.088 6.599 9.655) 11.880 2.121 ( -2.557 16.014 4.792) 16.910 2.219 ( -1.434 6.450 1.368) 6.747 2.429 ( 1.766 16.548 -6.622) 17.911 2.799 ( 1.738 -5.262 0.396) 5.556 2.970 ( -5.152 -2.964 -0.075) 5.944 3.419 ( 15.592 -1.903 6.316) 16.930 3.668 ( 0.288 2.120 -2.318) 3.154 3.706 ( 1.404 -7.118 1.086) 7.336 3.910 ( -6.258 -0.358 6.686) 9.164 4.532 ( -1.846 7.429 30.954) 31.887 4.914 ( 0.892 0.844 8.252) 8.343 5.374 ( -0.903 5.669 14.556) 15.647 5.489 ( 2.164 10.098 12.732) 16.394 5.784 ( -2.061 2.942 -9.057) 9.744 5.924 ( 7.647 9.576 -13.253) 18.050 6.385 ( 1.598 7.162 7.396) 10.419 6.585 ( 2.687 1.815 -8.458) 9.058 6.970 ( -0.505 -0.072 -3.509) 3.546 7.450 ( -11.179 -1.480 -12.304) 16.690 8.495 ( 2.353 0.051 -17.261) 17.421 8.832 ( -16.036 7.452 -5.813) 18.614 9.025 ( 6.924 -0.988 -4.892) 8.535 9.286 ( -1.618 0.753 -5.142) 5.443 10.496 ( 9.097 11.044 1.919) 14.437 10.678 ( 0.077 8.923 -0.045) 8.924 12.805 ( 0.852 -3.914 18.230) 18.665 13.100 ( 0.211 -1.251 3.915) 4.116 13.460 ( -1.240 4.397 -8.428) 9.586 13.494 ( -0.805 -5.090 -12.201) 13.245 14.187 ( 0.155 -19.078 7.886) 20.644 14.441 ( -4.446 -16.520 -4.112) 17.595 16.247 ( 6.642 9.441 0.872) 11.577 16.395 ( -2.492 7.727 0.813) 8.160 24.307 ( 0.360 -1.294 3.924) 4.147 24.415 ( 1.476 -2.754 -1.761) 3.586 25.055 ( 11.309 -8.092 0.267) 13.908 25.464 ( -8.158 -3.964 0.136) 9.071 25.935 ( 10.232 -9.225 2.448) 13.993 26.451 ( -12.073 1.665 5.310) 13.294 27.281 ( 10.980 10.505 -5.065) 16.018 27.623 ( -10.216 10.899 -4.900) 15.721 ======================= Grid point 303 (129/216) ======================= q-point: ( 0.73 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -3.112 1.244 4.358) 5.497 2.206 ( -0.104 -2.369 -1.798) 2.976 2.364 ( 1.235 13.231 6.537) 14.809 2.475 ( 2.171 11.336 -5.371) 12.731 2.785 ( -2.699 1.285 0.283) 3.003 3.036 ( -3.667 -2.744 1.051) 4.699 3.161 ( 19.143 -1.114 2.908) 19.395 3.622 ( 1.068 -6.370 1.317) 6.592 3.638 ( 3.497 1.342 -2.189) 4.339 4.069 ( -5.197 2.762 4.758) 7.568 4.802 ( 0.835 7.281 18.994) 20.359 4.951 ( 1.796 3.603 1.158) 4.189 5.483 ( 6.080 3.356 6.383) 9.432 5.499 ( 8.895 4.416 -2.487) 10.237 5.726 ( 4.395 3.857 -7.164) 9.247 5.835 ( 3.607 8.408 -4.115) 10.032 6.488 ( -0.973 5.711 3.592) 6.816 6.526 ( 1.193 3.024 -3.085) 4.482 6.976 ( -7.096 -1.915 -3.248) 8.035 7.693 ( -17.116 5.489 5.395) 18.767 8.359 ( -2.785 -5.285 -11.570) 13.022 8.818 ( 7.654 1.618 -8.362) 11.451 9.167 ( -13.607 3.113 6.590) 15.435 9.303 ( -5.656 3.495 -7.559) 10.067 10.420 ( 13.668 9.633 -0.140) 16.722 10.744 ( 3.237 8.493 1.078) 9.152 12.788 ( 6.051 -7.811 5.170) 11.151 13.164 ( -3.896 -0.961 8.787) 9.660 13.400 ( -2.159 -0.937 -9.239) 9.534 13.476 ( -0.318 4.140 -3.978) 5.750 14.089 ( -2.030 -14.084 4.022) 14.787 14.358 ( -7.856 -15.846 -2.989) 17.937 16.218 ( 7.939 7.208 0.332) 10.728 16.469 ( 1.031 4.500 0.670) 4.665 24.278 ( 3.431 -1.347 0.186) 3.691 24.394 ( -1.414 -1.213 1.298) 2.271 24.857 ( 5.638 -6.357 -0.900) 8.545 25.428 ( 13.675 3.956 -0.452) 14.243 25.832 ( -13.242 -17.270 0.818) 21.778 26.701 ( -8.099 6.621 8.465) 13.457 27.130 ( 14.635 8.797 -7.013) 18.459 27.821 ( -9.054 5.591 -2.260) 10.878 ======================= Grid point 304 (130/216) ======================= q-point: ( 0.82 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -3.215 -2.046 0.000) 3.811 2.088 ( 5.275 -10.094 -0.000) 11.389 2.499 ( -0.179 10.899 0.000) 10.901 2.527 ( 0.140 9.156 0.000) 9.157 2.809 ( 18.842 -3.923 -0.000) 19.246 2.849 ( -1.008 2.877 0.000) 3.048 3.118 ( -2.459 0.855 0.000) 2.603 3.536 ( 1.921 -8.382 -0.000) 8.600 3.600 ( 5.241 5.991 -0.000) 7.960 4.154 ( 0.052 2.795 0.000) 2.795 4.921 ( 5.970 4.984 -0.000) 7.777 4.942 ( -0.520 4.702 0.000) 4.731 5.343 ( 10.747 3.819 -0.000) 11.405 5.377 ( 11.007 0.048 -0.000) 11.007 5.731 ( -0.853 1.042 0.000) 1.346 5.796 ( 6.973 4.740 -0.000) 8.432 6.552 ( -0.064 1.420 0.000) 1.422 6.555 ( -0.068 6.966 0.000) 6.966 7.127 ( -15.220 0.909 0.000) 15.248 7.936 ( 2.893 10.510 0.000) 10.901 8.343 ( -10.700 -11.394 0.000) 15.630 8.798 ( -9.643 3.867 0.000) 10.389 9.204 ( 5.247 0.537 -0.000) 5.275 9.571 ( -20.210 3.132 0.000) 20.451 10.277 ( 15.407 8.042 -0.000) 17.380 10.746 ( 5.641 5.810 -0.000) 8.098 12.615 ( 7.999 -8.369 -0.000) 11.577 13.280 ( -5.992 -1.344 0.000) 6.141 13.409 ( -2.971 3.119 0.000) 4.307 13.472 ( 1.178 1.005 -0.000) 1.548 14.060 ( -4.734 -6.902 -0.000) 8.370 14.337 ( -9.033 -14.035 -0.000) 16.691 16.146 ( 9.188 5.021 -0.000) 10.470 16.457 ( 4.382 1.561 -0.000) 4.652 24.223 ( 2.770 0.545 -0.000) 2.823 24.427 ( -2.389 -0.077 0.000) 2.391 24.751 ( 0.713 -5.542 -0.000) 5.588 25.220 ( 15.200 3.018 -0.000) 15.497 25.946 ( -18.995 -15.256 0.000) 24.363 26.893 ( 19.502 6.579 -0.000) 20.582 26.941 ( -5.077 11.861 0.000) 12.902 27.957 ( -6.954 -0.792 0.000) 6.999 ======================= Grid point 310 (131/216) ======================= q-point: ( 0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 12.282 0.000 7.924) 14.616 1.970 ( 10.227 0.000 8.531) 13.318 2.261 ( 8.849 0.000 -0.868) 8.891 2.627 ( 4.318 -0.000 -2.655) 5.069 2.648 ( -12.835 -0.000 -3.131) 13.211 3.057 ( -5.151 -0.000 -0.178) 5.154 3.059 ( 1.590 0.000 3.106) 3.489 3.137 ( -9.424 0.000 8.865) 12.939 3.495 ( 10.219 0.000 20.175) 22.616 3.886 ( 3.953 -0.000 -12.450) 13.063 4.261 ( 5.492 0.000 5.793) 7.983 4.629 ( 0.204 0.000 11.287) 11.288 5.136 ( 7.240 0.000 11.759) 13.809 5.457 ( -9.314 -0.000 -8.631) 12.698 5.759 ( 2.942 0.000 9.506) 9.951 5.969 ( -5.266 0.000 6.722) 8.539 6.003 ( 13.244 -0.000 -6.990) 14.975 6.531 ( 4.007 -0.000 -23.562) 23.901 7.338 ( 9.062 0.000 -1.777) 9.234 7.946 ( -5.311 -0.000 -12.060) 13.177 8.566 ( -5.965 -0.000 0.984) 6.046 9.208 ( -3.587 -0.000 -4.233) 5.548 9.386 ( 1.195 -0.000 -2.648) 2.905 9.636 ( 13.492 0.000 7.764) 15.566 9.859 ( 5.037 -0.000 -20.024) 20.648 10.494 ( -1.761 -0.000 -5.726) 5.991 12.506 ( 3.936 0.000 20.776) 21.145 13.078 ( -1.686 -0.000 -4.125) 4.456 13.453 ( -4.650 -0.000 -9.082) 10.204 13.934 ( -2.975 -0.000 -11.712) 12.084 14.556 ( -8.404 0.000 13.364) 15.787 14.730 ( -5.728 0.000 5.031) 7.623 15.689 ( 7.278 0.000 7.062) 10.141 16.162 ( 1.357 0.000 -0.067) 1.359 24.292 ( 1.573 0.000 0.980) 1.853 24.312 ( -4.836 -0.000 -1.915) 5.201 24.813 ( -8.930 -0.000 -1.748) 9.099 25.234 ( 8.486 -0.000 -9.134) 12.468 25.795 ( -10.972 0.000 15.020) 18.601 26.732 ( -14.252 -0.000 -7.487) 16.099 27.371 ( 14.682 0.000 3.476) 15.088 27.740 ( 8.737 -0.000 -3.022) 9.245 ======================= Grid point 314 (132/216) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -0.000 8.734 9.400) 12.832 1.944 ( 0.000 18.196 2.061) 18.313 2.144 ( 0.000 9.777 0.653) 9.799 2.217 ( -0.000 19.046 -7.013) 20.297 2.895 ( 0.000 -5.727 3.051) 6.489 2.943 ( -0.000 -5.971 -3.162) 6.756 3.601 ( 0.000 1.911 1.639) 2.517 3.614 ( -0.000 3.833 -0.401) 3.854 3.816 ( 0.000 -7.753 4.523) 8.976 3.872 ( -0.000 -6.049 -2.356) 6.492 4.706 ( 0.000 4.372 27.304) 27.652 4.937 ( -0.000 1.341 -2.742) 3.053 5.442 ( 0.000 3.472 15.621) 16.003 5.542 ( 0.000 11.122 19.479) 22.431 5.660 ( -0.000 1.658 -12.778) 12.885 5.795 ( 0.000 9.969 -13.047) 16.419 6.398 ( -0.000 6.697 6.614) 9.413 6.505 ( 0.000 5.133 -8.782) 10.172 6.992 ( -0.000 -0.219 7.603) 7.606 7.221 ( 0.000 -3.263 -21.007) 21.259 8.481 ( 0.000 5.125 -7.173) 8.816 8.485 ( -0.000 6.414 -6.929) 9.442 9.127 ( 0.000 -1.429 4.800) 5.008 9.218 ( 0.000 -3.804 -7.616) 8.513 10.500 ( 0.000 11.729 4.477) 12.554 10.564 ( -0.000 9.363 -3.943) 10.159 13.002 ( -0.000 -4.754 19.334) 19.909 13.140 ( 0.000 -1.966 2.352) 3.066 13.354 ( 0.000 3.882 -6.386) 7.473 13.411 ( 0.000 -1.739 -14.876) 14.977 14.444 ( -0.000 -21.038 7.253) 22.253 14.533 ( 0.000 -18.786 -4.472) 19.310 16.237 ( 0.000 11.867 1.901) 12.018 16.261 ( 0.000 10.072 -1.075) 10.129 24.360 ( 0.000 -1.670 4.874) 5.152 24.427 ( -0.000 -2.370 -3.837) 4.510 25.333 ( 0.000 -8.136 1.412) 8.258 25.350 ( -0.000 -6.870 -0.858) 6.923 26.204 ( -0.000 -5.269 7.138) 8.872 26.288 ( 0.000 -5.457 -3.720) 6.605 27.295 ( 0.000 12.738 0.111) 12.739 27.332 ( -0.000 14.415 -4.788) 15.190 ======================= Grid point 315 (133/216) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.355 6.292 0.000) 6.302 2.119 ( -7.155 5.307 0.000) 8.909 2.301 ( 2.309 15.686 0.000) 15.855 2.330 ( 0.633 18.004 0.000) 18.015 2.803 ( 2.341 -5.848 -0.000) 6.299 2.969 ( -6.496 -2.285 0.000) 6.886 3.473 ( 16.129 -0.530 -0.000) 16.138 3.641 ( 1.862 2.449 0.000) 3.076 3.715 ( 0.743 -8.531 -0.000) 8.563 3.951 ( -9.788 -0.248 0.000) 9.791 4.885 ( 1.611 4.280 0.000) 4.574 4.905 ( 0.594 4.538 0.000) 4.577 5.558 ( 2.811 4.283 0.000) 5.123 5.585 ( 4.442 3.746 -0.000) 5.811 5.679 ( 5.138 6.883 0.000) 8.589 5.787 ( 2.676 11.099 0.000) 11.417 6.447 ( 1.536 5.416 0.000) 5.630 6.511 ( 1.468 4.105 0.000) 4.360 6.943 ( 1.165 -4.645 -0.000) 4.789 7.344 ( -20.994 3.649 0.000) 21.309 8.348 ( 4.466 -0.991 -0.000) 4.574 8.788 ( -18.637 9.739 0.000) 21.028 8.987 ( 10.348 -2.970 -0.000) 10.765 9.249 ( -3.334 0.358 0.000) 3.353 10.511 ( 10.313 10.437 -0.000) 14.673 10.678 ( -0.698 10.567 0.000) 10.590 12.982 ( 5.905 -7.492 -0.000) 9.540 13.155 ( -5.396 -3.964 0.000) 6.696 13.330 ( 1.356 2.827 0.000) 3.135 13.404 ( -2.476 3.708 0.000) 4.458 14.262 ( 2.153 -18.492 -0.000) 18.617 14.397 ( -6.479 -18.786 -0.000) 19.872 16.254 ( 6.617 9.137 0.000) 11.282 16.401 ( -2.597 8.083 0.000) 8.490 24.346 ( 2.641 -2.258 -0.000) 3.474 24.392 ( -0.991 -1.755 -0.000) 2.016 25.057 ( 12.024 -8.171 -0.000) 14.537 25.465 ( -7.703 -3.700 0.000) 8.546 25.954 ( 10.991 -10.186 -0.000) 14.986 26.495 ( -15.877 1.509 0.000) 15.948 27.238 ( 13.385 11.170 -0.000) 17.434 27.585 ( -10.534 10.974 0.000) 15.212 ======================= Grid point 322 (134/216) ======================= q-point: ( 0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 9.822 -4.073 7.326) 12.913 2.112 ( 4.706 -0.602 0.155) 4.747 2.387 ( -5.319 2.602 1.282) 6.058 2.459 ( 5.158 -0.131 -1.601) 5.403 2.626 ( -4.095 -2.180 -3.858) 6.034 2.941 ( -7.610 0.052 -0.903) 7.664 3.048 ( -6.312 2.140 2.204) 7.020 3.121 ( 1.708 1.110 5.039) 5.435 3.670 ( -1.367 -1.053 6.717) 6.935 3.860 ( 4.813 1.932 -9.464) 10.792 4.400 ( 7.530 -0.497 4.431) 8.751 4.807 ( 8.558 -1.531 15.482) 17.756 5.140 ( -14.418 0.135 -9.320) 17.168 5.363 ( 5.825 -0.927 8.216) 10.114 5.786 ( -0.300 -1.126 -1.779) 2.127 6.015 ( 5.834 5.979 5.911) 10.234 6.218 ( 11.288 -3.591 0.495) 11.856 6.414 ( 1.753 -1.949 -18.655) 18.838 7.419 ( 1.912 2.277 -2.066) 3.621 7.756 ( -6.390 0.201 -11.512) 13.168 8.536 ( -1.106 -2.301 7.475) 7.899 9.138 ( -2.639 2.902 2.647) 4.732 9.423 ( 3.361 0.549 -0.860) 3.513 9.838 ( 9.497 -6.006 -17.919) 21.151 9.906 ( 14.193 2.024 7.139) 16.016 10.449 ( 0.439 -1.342 -4.242) 4.471 12.694 ( 1.171 1.738 17.686) 17.810 13.026 ( -1.593 0.215 -1.035) 1.911 13.306 ( -6.371 -2.039 -8.937) 11.163 13.801 ( -2.708 -0.121 -11.752) 12.061 14.476 ( -6.697 9.092 9.892) 15.012 14.708 ( -6.750 -5.916 4.608) 10.089 15.844 ( 7.083 0.697 4.878) 8.628 16.186 ( 1.494 -2.043 -1.878) 3.152 24.220 ( -3.275 2.220 -2.390) 4.623 24.288 ( -3.023 -2.579 -2.565) 4.729 24.763 ( 1.120 -0.206 4.042) 4.199 25.294 ( 10.560 1.028 -11.942) 15.975 25.742 ( -11.879 -1.809 14.050) 18.487 26.458 ( -15.675 -2.641 -7.840) 17.725 27.508 ( 12.664 17.188 3.648) 21.659 27.924 ( 6.818 -13.255 -0.406) 14.911 ======================= Grid point 323 (135/216) ======================= q-point: ( 0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 10.745 -0.000 8.617) 13.773 2.003 ( 5.723 0.000 -3.429) 6.672 2.320 ( 13.222 -0.000 7.552) 15.227 2.579 ( 4.874 -0.000 -3.526) 6.016 2.644 ( -18.285 0.000 2.573) 18.465 2.983 ( -7.142 -0.000 -7.185) 10.131 3.127 ( 2.798 0.000 5.650) 6.305 3.300 ( -12.014 0.000 8.404) 14.661 3.734 ( 2.440 -0.000 -5.966) 6.446 3.772 ( -2.836 -0.000 13.187) 13.489 4.354 ( 4.374 0.000 8.855) 9.876 4.830 ( 3.078 0.000 13.944) 14.280 5.254 ( -11.137 -0.000 -11.224) 15.812 5.348 ( 5.012 -0.000 10.628) 11.750 5.730 ( 3.868 0.000 -12.806) 13.377 5.956 ( 10.748 0.000 -3.889) 11.430 6.072 ( 0.562 -0.000 6.031) 6.057 6.231 ( 4.271 0.000 -11.804) 12.553 7.356 ( 8.414 0.000 4.283) 9.441 7.758 ( -4.071 -0.000 -11.963) 12.637 8.612 ( -3.314 0.000 6.010) 6.864 9.173 ( 2.572 0.000 -1.207) 2.841 9.347 ( 7.217 0.000 -2.506) 7.639 9.520 ( 6.469 -0.000 -22.908) 23.804 9.802 ( 7.505 0.000 13.068) 15.070 10.380 ( 0.183 0.000 -9.171) 9.172 12.831 ( 1.653 -0.000 21.033) 21.098 13.052 ( -1.676 0.000 1.077) 1.992 13.309 ( -4.503 -0.000 -9.538) 10.547 13.732 ( -1.568 0.000 -14.871) 14.953 14.718 ( -7.694 -0.000 7.887) 11.018 14.793 ( -5.975 0.000 3.163) 6.760 15.807 ( 4.885 0.000 8.236) 9.576 16.132 ( 1.392 -0.000 -3.795) 4.042 24.289 ( -5.402 -0.000 -1.039) 5.501 24.297 ( -2.051 0.000 -0.295) 2.072 24.820 ( -5.393 -0.000 2.622) 5.996 25.102 ( 4.394 0.000 -8.102) 9.217 26.024 ( -11.329 -0.000 14.732) 18.585 26.601 ( -13.452 -0.000 -9.688) 16.578 27.433 ( 14.909 0.000 4.543) 15.586 27.677 ( 11.883 -0.000 -4.955) 12.875 ======================= Grid point 334 (136/216) ======================= q-point: ( 0.27 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 7.305 -4.071 6.654) 10.687 2.080 ( -7.691 2.849 -1.466) 8.332 2.301 ( 5.251 -0.997 -7.461) 9.178 2.465 ( -12.536 -2.278 -7.386) 14.727 2.609 ( 6.650 0.127 3.620) 7.572 2.858 ( -3.912 0.018 0.840) 4.002 2.941 ( -4.629 3.318 0.897) 5.766 3.151 ( -0.433 2.577 2.242) 3.443 3.650 ( -3.200 -2.323 -0.828) 4.040 3.829 ( 1.233 2.897 -6.515) 7.236 4.503 ( 1.360 2.726 2.607) 4.009 4.846 ( -14.341 -1.045 -8.459) 16.683 5.113 ( 13.445 1.889 16.632) 21.470 5.509 ( 4.350 1.353 6.401) 7.857 5.781 ( 1.172 -1.811 -4.742) 5.209 6.070 ( 9.329 8.426 -2.804) 12.880 6.362 ( 3.804 -4.000 -3.378) 6.471 6.406 ( 5.545 -4.750 -2.458) 7.704 7.279 ( -7.843 5.174 -6.013) 11.155 7.638 ( -3.160 -6.423 -9.009) 11.507 8.699 ( 6.772 -1.685 15.574) 17.066 9.115 ( -1.498 1.469 4.729) 5.174 9.425 ( 4.967 6.498 -5.725) 9.983 9.983 ( 10.593 -11.853 -8.650) 18.097 10.111 ( 11.541 7.127 5.235) 14.539 10.478 ( 3.238 -3.096 -0.502) 4.508 12.711 ( -5.229 8.048 5.164) 10.899 13.047 ( 0.295 -1.152 5.875) 5.994 13.198 ( -4.852 -7.383 -4.087) 9.734 13.679 ( -2.785 -1.472 -11.060) 11.500 14.364 ( -5.249 8.789 6.763) 12.269 14.691 ( -6.853 -5.849 3.572) 9.692 15.960 ( 7.000 2.996 2.169) 7.917 16.212 ( 1.503 -2.237 -2.717) 3.827 24.152 ( -1.005 0.745 -2.059) 2.409 24.234 ( -4.056 -2.928 -2.990) 5.828 24.881 ( 7.727 0.485 7.193) 10.568 25.345 ( 9.902 2.419 -11.429) 15.314 25.686 ( -10.480 -3.064 10.262) 14.984 26.193 ( -16.023 -5.260 -7.920) 18.632 27.546 ( 10.884 17.805 3.321) 21.131 28.130 ( 4.454 -10.964 1.429) 11.920 ======================= Grid point 335 (137/216) ======================= q-point: ( 0.36 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 9.187 -3.267 6.776) 11.874 2.075 ( 6.574 -1.767 -4.278) 8.040 2.362 ( -14.405 4.695 -0.319) 15.154 2.544 ( 7.189 0.974 6.530) 9.761 2.563 ( -8.481 -4.627 -3.065) 10.135 2.817 ( -1.339 0.927 -10.063) 10.194 3.173 ( -9.588 1.499 8.674) 13.016 3.205 ( -1.743 0.652 5.209) 5.532 3.699 ( -2.887 3.241 -3.785) 5.759 3.764 ( -0.675 -3.052 -1.898) 3.657 4.514 ( 4.198 -0.126 10.747) 11.538 4.936 ( -6.534 -0.450 -12.034) 13.701 5.105 ( 5.386 0.014 18.641) 19.403 5.516 ( 4.531 1.205 10.676) 11.660 5.690 ( 3.315 -0.138 -11.439) 11.911 5.946 ( 6.919 5.593 -14.796) 17.265 6.208 ( 4.507 -8.097 1.843) 9.448 6.275 ( 6.316 -1.400 -1.680) 6.684 7.406 ( -4.640 3.148 0.352) 5.618 7.593 ( -5.313 -1.453 -9.013) 10.563 8.717 ( 4.838 -1.361 16.051) 16.820 9.180 ( -0.367 1.643 0.323) 1.714 9.353 ( 6.207 9.248 -9.634) 14.727 9.604 ( 11.835 -14.181 -9.266) 20.664 10.030 ( 11.700 4.133 8.564) 15.077 10.363 ( 4.180 -3.458 -6.688) 8.612 12.906 ( -4.893 5.543 7.985) 10.882 13.093 ( 0.457 0.294 9.105) 9.121 13.183 ( -4.610 -4.989 -4.495) 8.145 13.600 ( -1.134 -0.766 -14.459) 14.524 14.588 ( -6.576 10.159 4.745) 12.999 14.765 ( -7.030 -6.439 2.717) 9.913 15.923 ( 4.910 2.732 5.148) 7.621 16.141 ( 1.313 -3.703 -3.725) 5.414 24.189 ( -3.730 2.564 -1.485) 4.764 24.253 ( -4.741 -3.479 -1.719) 6.127 24.850 ( 3.614 0.098 7.013) 7.890 25.122 ( 7.830 0.506 -10.515) 13.120 25.954 ( -13.178 -1.382 13.380) 18.830 26.323 ( -14.855 -2.792 -9.802) 18.015 27.557 ( 12.758 18.224 2.512) 22.388 27.909 ( 9.400 -14.197 -1.154) 17.066 ======================= Grid point 336 (138/216) ======================= q-point: ( 0.45 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 8.791 -0.000 8.295) 12.086 1.916 ( 6.793 0.000 -7.061) 9.799 2.435 ( 10.495 0.000 6.567) 12.380 2.518 ( 6.763 -0.000 -4.549) 8.150 2.723 ( -18.249 0.000 7.499) 19.729 2.855 ( -13.396 -0.000 -9.044) 16.164 3.228 ( 2.345 0.000 7.225) 7.597 3.327 ( -2.494 0.000 -4.395) 5.053 3.746 ( -6.212 0.000 6.423) 8.936 3.841 ( -9.437 -0.000 -3.211) 9.969 4.581 ( 1.460 -0.000 19.696) 19.750 4.878 ( -1.217 0.000 -14.948) 14.997 5.194 ( 0.260 -0.000 13.117) 13.120 5.469 ( 7.806 0.000 -19.352) 20.867 5.560 ( 3.583 -0.000 14.770) 15.198 5.787 ( 1.980 0.000 -14.550) 14.684 6.144 ( 2.756 -0.000 3.235) 4.250 6.172 ( 4.591 0.000 -0.776) 4.656 7.455 ( 3.431 0.000 7.958) 8.666 7.591 ( -1.546 -0.000 -9.844) 9.965 8.776 ( 2.864 -0.000 15.646) 15.906 9.060 ( 6.855 0.000 -17.995) 19.256 9.286 ( 6.600 0.000 -2.687) 7.126 9.306 ( 8.703 -0.000 -2.722) 9.118 10.013 ( 3.908 -0.000 13.933) 14.471 10.216 ( 1.850 0.000 -12.199) 12.339 13.061 ( -4.124 0.000 6.904) 8.041 13.171 ( -4.324 0.000 -8.188) 9.260 13.189 ( 1.972 -0.000 18.559) 18.663 13.479 ( 0.145 0.000 -18.075) 18.076 14.802 ( -6.900 -0.000 3.251) 7.628 14.822 ( -6.330 0.000 0.451) 6.346 15.934 ( 3.067 0.000 8.174) 8.731 16.050 ( 1.953 -0.000 -6.683) 6.962 24.281 ( -5.615 -0.000 0.049) 5.615 24.288 ( -4.672 0.000 -0.698) 4.724 24.886 ( -1.965 -0.000 5.646) 5.978 24.985 ( 1.075 0.000 -7.184) 7.264 26.241 ( -11.874 0.000 13.577) 18.036 26.436 ( -12.610 -0.000 -11.787) 17.261 27.509 ( 14.732 0.000 5.385) 15.685 27.595 ( 13.828 -0.000 -5.669) 14.945 ======================= Grid point 346 (139/216) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -8.863 5.056 -4.057) 10.981 2.184 ( -0.500 -5.400 2.227) 5.863 2.229 ( -7.391 0.477 -4.272) 8.550 2.368 ( 5.979 -2.092 -5.471) 8.370 2.669 ( 1.113 5.413 1.492) 5.725 2.790 ( -3.418 1.823 -0.387) 3.893 2.914 ( 0.274 -0.279 3.572) 3.594 3.097 ( -3.313 -0.582 -3.218) 4.655 3.631 ( 0.451 0.488 -3.574) 3.635 3.733 ( -5.031 4.002 -3.277) 7.216 4.412 ( -8.025 4.211 -0.164) 9.064 4.600 ( -13.026 -0.902 -5.991) 14.366 5.339 ( 8.581 11.758 10.573) 17.991 5.544 ( 0.529 4.139 1.431) 4.411 5.767 ( 2.883 1.683 -7.767) 8.454 6.169 ( 8.688 4.415 0.759) 9.775 6.391 ( 3.851 -1.498 -1.072) 4.269 6.574 ( 6.338 -8.930 2.660) 11.269 7.144 ( -0.884 -0.053 -1.423) 1.676 7.617 ( -1.310 -10.332 -6.688) 12.378 8.949 ( 9.056 1.589 14.889) 17.499 9.144 ( 1.287 -0.780 5.063) 5.282 9.390 ( 6.763 7.625 -8.204) 13.084 10.159 ( 3.428 -1.954 2.672) 4.765 10.223 ( 9.903 2.534 -1.582) 10.344 10.577 ( 4.352 -2.665 1.910) 5.449 12.516 ( -8.397 11.986 -1.596) 14.721 13.086 ( -0.519 -5.117 0.536) 5.171 13.261 ( -1.120 -9.188 6.312) 11.204 13.578 ( -3.154 -3.533 -9.202) 10.349 14.262 ( -4.209 6.850 4.113) 9.031 14.666 ( -6.246 -5.565 2.299) 8.676 16.038 ( 7.248 4.849 0.210) 8.723 16.228 ( 1.620 -0.682 -2.742) 3.257 24.154 ( 1.699 -2.108 -0.811) 2.826 24.181 ( -2.859 -1.887 -2.381) 4.172 25.060 ( 7.072 1.331 8.169) 10.886 25.376 ( 7.183 2.547 -5.765) 9.556 25.652 ( -3.357 -2.621 2.167) 4.779 25.955 ( -15.381 -7.312 -7.029) 18.424 27.567 ( 9.331 15.420 2.570) 18.206 28.273 ( 1.497 -6.883 2.247) 7.394 ======================= Grid point 347 (140/216) ======================= q-point: ( 0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -8.830 4.590 -0.642) 9.972 2.100 ( 6.894 -2.347 4.199) 8.406 2.214 ( 4.495 -2.901 -3.683) 6.495 2.359 ( -16.117 -6.308 -4.746) 17.947 2.670 ( 5.916 5.436 3.380) 8.716 2.794 ( 5.101 1.722 -4.071) 6.750 3.049 ( -12.304 0.218 7.033) 14.174 3.164 ( -6.432 -0.145 -0.972) 6.506 3.620 ( 0.928 3.780 -2.041) 4.395 3.761 ( -1.604 -2.320 -2.182) 3.566 4.567 ( -5.102 3.038 4.854) 7.669 4.723 ( -9.535 -1.117 -6.760) 11.741 5.384 ( 10.371 6.204 17.808) 21.522 5.578 ( 2.324 6.551 -0.379) 6.961 5.662 ( 3.756 -0.139 -8.908) 9.669 5.974 ( 12.401 -1.136 -5.490) 13.609 6.341 ( 1.583 -5.096 0.185) 5.340 6.401 ( 8.308 -5.187 0.072) 9.795 7.219 ( -8.240 5.112 -1.900) 9.882 7.529 ( -3.996 -8.266 -4.171) 10.084 8.957 ( 6.378 -0.558 16.824) 18.001 9.155 ( -0.260 -0.993 -2.357) 2.571 9.292 ( 8.421 11.902 -8.728) 16.992 9.894 ( 12.480 -15.382 -2.703) 19.992 10.174 ( 10.015 8.989 2.386) 13.668 10.466 ( 6.554 -5.048 -0.722) 8.304 12.753 ( -8.418 11.060 1.092) 13.942 13.065 ( -4.077 -4.865 -2.052) 6.671 13.281 ( 0.306 -4.511 12.058) 12.878 13.497 ( -1.114 -3.065 -12.364) 12.787 14.433 ( -5.423 9.046 2.224) 10.779 14.729 ( -6.890 -5.501 1.319) 8.915 15.989 ( 5.612 4.613 1.354) 7.390 16.174 ( 1.103 -3.429 -1.692) 3.980 24.129 ( -0.842 0.281 -0.797) 1.193 24.202 ( -4.424 -3.022 -1.089) 5.467 25.007 ( 8.681 0.834 9.236) 12.703 25.167 ( 10.158 1.149 -11.084) 15.079 25.846 ( -13.965 -0.804 8.879) 16.569 26.068 ( -15.102 -6.635 -7.464) 18.105 27.581 ( 11.078 17.791 1.195) 20.992 28.143 ( 6.043 -10.852 0.354) 12.427 ======================= Grid point 348 (141/216) ======================= q-point: (-0.55 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 7.997 -1.237 -0.000) 8.092 2.009 ( 7.976 -3.976 -0.000) 8.912 2.371 ( -14.373 7.335 0.000) 16.136 2.518 ( -13.610 -7.765 0.000) 15.669 2.660 ( 1.951 2.729 0.000) 3.355 2.683 ( 5.355 0.226 -0.000) 5.359 3.248 ( -4.018 1.062 0.000) 4.156 3.252 ( -6.889 0.611 0.000) 6.916 3.654 ( -2.641 5.519 0.000) 6.119 3.751 ( -3.938 -5.382 -0.000) 6.669 4.696 ( -2.989 1.962 0.000) 3.575 4.738 ( -2.097 -2.578 0.000) 3.323 5.417 ( 9.008 2.238 -0.000) 9.281 5.435 ( 8.140 1.333 -0.000) 8.248 5.646 ( 1.490 5.960 0.000) 6.143 5.778 ( 4.619 -5.975 -0.000) 7.552 6.249 ( 4.918 -3.585 -0.000) 6.086 6.249 ( 6.088 -2.803 -0.000) 6.702 7.418 ( -9.621 5.503 0.000) 11.084 7.512 ( -2.981 -4.068 -0.000) 5.044 8.996 ( 5.068 0.511 -0.000) 5.094 9.010 ( 6.635 -1.489 -0.000) 6.800 9.284 ( 5.242 12.004 0.000) 13.099 9.548 ( 11.209 -15.504 -0.000) 19.131 10.123 ( 8.616 9.020 -0.000) 12.473 10.286 ( 7.251 -8.382 -0.000) 11.083 12.969 ( -6.840 8.359 0.000) 10.801 13.083 ( -4.968 -4.467 0.000) 6.681 13.334 ( 1.111 0.516 -0.000) 1.225 13.383 ( 0.358 -4.244 -0.000) 4.259 14.624 ( -6.495 10.468 0.000) 12.319 14.787 ( -7.137 -6.592 0.000) 9.716 15.975 ( 3.826 6.072 0.000) 7.176 16.099 ( 1.555 -6.881 -0.000) 7.055 24.177 ( -3.972 2.719 0.000) 4.814 24.239 ( -5.172 -3.807 0.000) 6.422 24.972 ( 5.174 0.244 -0.000) 5.180 24.973 ( 5.958 0.341 -0.000) 5.968 26.123 ( -14.787 1.168 0.000) 14.833 26.182 ( -13.338 -5.327 0.000) 14.362 27.577 ( 12.695 19.193 0.000) 23.011 27.899 ( 10.420 -15.129 -0.000) 18.370 ======================= Grid point 358 (142/216) ======================= q-point: ( 0.27 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -11.041 8.868 -3.802) 14.663 1.964 ( -15.108 1.438 -3.913) 15.672 2.320 ( 4.315 1.211 3.632) 5.769 2.402 ( 0.716 -1.021 -4.437) 4.609 2.637 ( -0.240 1.790 3.007) 3.507 2.730 ( 1.555 2.572 -5.401) 6.181 2.934 ( -5.755 -3.447 3.605) 7.615 3.079 ( 4.644 -0.948 -3.267) 5.757 3.517 ( -11.800 11.807 -1.977) 16.809 3.572 ( -1.329 3.980 -4.442) 6.111 4.283 ( -8.439 -0.741 4.217) 9.463 4.369 ( -11.071 -1.980 -6.257) 12.870 5.318 ( 3.509 19.379 1.909) 19.786 5.502 ( -2.174 6.051 2.039) 6.745 5.724 ( 3.250 5.708 -6.091) 8.958 6.120 ( -5.005 2.362 -0.416) 5.550 6.619 ( 17.691 -0.313 2.975) 17.942 6.751 ( -0.143 -13.483 1.997) 13.631 7.201 ( 3.479 -3.459 1.682) 5.187 7.716 ( 6.478 -10.700 -1.922) 12.655 9.112 ( 6.752 8.552 5.767) 12.328 9.266 ( 6.379 -2.372 7.472) 10.107 9.385 ( 7.908 3.338 -6.995) 11.073 10.171 ( 0.463 9.130 4.621) 10.243 10.312 ( 2.012 -2.317 -2.280) 3.823 10.664 ( 2.723 -1.698 1.003) 3.363 12.252 ( -8.138 13.144 -2.354) 15.638 13.170 ( 1.849 -8.183 2.168) 8.665 13.346 ( -3.331 -6.733 0.703) 7.545 13.536 ( -1.648 -8.915 -3.293) 9.646 14.172 ( -3.589 4.996 1.845) 6.422 14.642 ( -5.214 -5.362 1.094) 7.559 16.101 ( 7.815 5.914 -0.168) 9.802 16.232 ( 1.796 1.583 -2.033) 3.141 24.131 ( -2.479 -0.682 -1.279) 2.872 24.239 ( 4.699 -4.335 -0.024) 6.394 25.100 ( -6.024 0.956 2.989) 6.792 25.516 ( 15.172 1.676 3.875) 15.749 25.664 ( 0.850 -2.779 -2.485) 3.824 25.758 ( -11.201 -5.635 -6.441) 14.096 27.583 ( 7.735 12.481 1.388) 14.749 28.336 ( -1.554 -3.500 1.963) 4.303 ======================= Grid point 359 (143/216) ======================= q-point: ( 0.36 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -9.708 5.837 0.000) 11.327 2.154 ( -15.210 -5.216 0.000) 16.079 2.255 ( 7.693 0.148 -0.000) 7.695 2.312 ( 4.659 -3.465 -0.000) 5.806 2.693 ( 5.719 9.048 0.000) 10.704 2.765 ( -6.649 2.911 0.000) 7.258 2.982 ( 1.383 -1.832 -0.000) 2.296 3.049 ( -10.001 -4.743 0.000) 11.068 3.595 ( 1.601 5.372 0.000) 5.606 3.710 ( -5.857 1.484 0.000) 6.042 4.420 ( -9.686 2.328 0.000) 9.961 4.547 ( -12.299 0.462 0.000) 12.308 5.447 ( 4.554 18.121 0.000) 18.684 5.557 ( 1.769 3.347 0.000) 3.786 5.677 ( 3.487 1.183 -0.000) 3.682 6.173 ( 8.647 3.809 -0.000) 9.449 6.382 ( 5.014 -5.101 -0.000) 7.153 6.599 ( 7.074 -9.405 -0.000) 11.768 7.137 ( 0.762 -1.135 -0.000) 1.367 7.560 ( -0.812 -10.953 -0.000) 10.983 9.100 ( 4.222 1.692 -0.000) 4.548 9.207 ( 3.018 -5.445 -0.000) 6.226 9.271 ( 10.595 13.291 0.000) 16.997 10.169 ( 7.826 -10.610 -0.000) 13.184 10.221 ( 6.742 10.177 0.000) 12.208 10.593 ( 4.831 -2.836 -0.000) 5.602 12.502 ( -9.413 13.131 0.000) 16.156 13.079 ( -1.044 -8.380 -0.000) 8.445 13.367 ( -1.846 -3.149 -0.000) 3.651 13.462 ( -1.328 -6.871 -0.000) 6.999 14.294 ( -4.346 6.946 0.000) 8.193 14.684 ( -6.177 -5.275 0.000) 8.123 16.041 ( 6.751 5.211 -0.000) 8.528 16.205 ( 1.306 -0.786 -0.000) 1.524 24.150 ( 2.467 -2.457 -0.000) 3.482 24.160 ( -3.507 -1.859 0.000) 3.969 25.156 ( 3.700 2.255 -0.000) 4.333 25.285 ( 15.008 0.879 -0.000) 15.034 25.699 ( -8.112 0.481 0.000) 8.126 25.884 ( -15.829 -9.604 0.000) 18.515 27.587 ( 9.446 15.406 0.000) 18.071 28.290 ( 2.239 -6.898 -0.000) 7.252 ======================= Grid point 369 (144/216) ======================= q-point: ( 0.27 -0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -14.340 13.211 0.000) 19.498 1.643 ( -18.722 9.519 0.000) 21.003 2.338 ( -5.714 -0.277 0.000) 5.721 2.359 ( 4.398 9.584 0.000) 10.545 2.678 ( -8.913 -4.848 0.000) 10.146 2.707 ( 7.096 -1.086 -0.000) 7.179 2.909 ( 2.187 2.924 0.000) 3.652 3.153 ( 5.577 2.553 -0.000) 6.133 3.184 ( -10.432 14.595 0.000) 17.939 3.489 ( -3.134 1.131 0.000) 3.331 4.116 ( -11.694 1.263 0.000) 11.762 4.330 ( -2.997 -10.129 -0.000) 10.563 5.174 ( 1.873 20.272 0.000) 20.358 5.381 ( -4.456 10.608 0.000) 11.506 5.677 ( 2.924 9.122 0.000) 9.579 6.063 ( -2.591 -3.085 0.000) 4.029 6.840 ( -7.523 -17.647 -0.000) 19.183 6.875 ( 15.053 2.576 -0.000) 15.272 7.274 ( 1.073 -1.442 -0.000) 1.797 7.964 ( 13.416 -9.346 -0.000) 16.350 9.094 ( 3.182 14.922 0.000) 15.258 9.422 ( 4.244 -3.637 -0.000) 5.589 9.484 ( 11.716 1.850 -0.000) 11.861 10.079 ( -3.269 10.019 0.000) 10.539 10.309 ( -1.649 -0.844 0.000) 1.853 10.707 ( 0.683 -1.554 -0.000) 1.698 12.017 ( -5.295 12.697 0.000) 13.757 13.293 ( -6.888 -3.148 0.000) 7.573 13.300 ( 2.119 -8.134 -0.000) 8.406 13.649 ( 1.888 -15.409 -0.000) 15.524 14.088 ( -3.321 3.435 0.000) 4.778 14.625 ( -3.900 -5.006 -0.000) 6.346 16.171 ( 8.775 5.725 -0.000) 10.478 16.224 ( 1.598 3.716 0.000) 4.045 24.097 ( -1.607 0.282 0.000) 1.632 24.363 ( 5.251 -5.199 -0.000) 7.390 24.985 ( -8.545 -0.818 0.000) 8.584 25.573 ( -16.697 -10.707 0.000) 19.835 25.697 ( 5.803 5.569 -0.000) 8.043 25.824 ( 20.521 0.865 -0.000) 20.540 27.590 ( 5.890 9.641 0.000) 11.298 28.323 ( -3.872 -1.225 0.000) 4.061 ======================= Grid point 380 (145/216) ======================= q-point: ( 0.27 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.000 18.595 -0.000) 18.595 1.249 ( 0.000 18.576 -0.000) 18.576 2.245 ( 0.000 2.738 -0.000) 2.738 2.443 ( -0.000 -4.565 0.000) 4.565 2.473 ( 0.000 21.319 -0.000) 21.319 2.855 ( -0.000 -4.872 0.000) 4.872 3.021 ( -0.000 -0.650 0.000) 0.650 3.027 ( 0.000 10.237 -0.000) 10.237 3.285 ( 0.000 15.778 -0.000) 15.778 3.385 ( -0.000 -9.236 0.000) 9.236 3.918 ( -0.000 -1.883 0.000) 1.883 4.242 ( -0.000 -11.340 0.000) 11.340 5.202 ( 0.000 19.534 -0.000) 19.534 5.304 ( 0.000 14.636 -0.000) 14.636 5.758 ( 0.000 13.239 -0.000) 13.239 6.022 ( -0.000 -6.143 0.000) 6.143 6.643 ( -0.000 -17.093 0.000) 17.093 7.148 ( 0.000 0.007 -0.000) 0.007 7.251 ( 0.000 4.209 -0.000) 4.209 8.262 ( -0.000 -12.721 0.000) 12.721 9.114 ( 0.000 20.824 -0.000) 20.824 9.507 ( 0.000 0.400 -0.000) 0.400 9.815 ( -0.000 -3.808 0.000) 3.808 9.875 ( 0.000 14.696 -0.000) 14.696 10.284 ( -0.000 -2.045 0.000) 2.045 10.698 ( -0.000 -2.544 0.000) 2.544 11.956 ( 0.000 12.982 -0.000) 12.982 13.144 ( -0.000 -0.769 0.000) 0.769 13.332 ( -0.000 -6.498 0.000) 6.498 13.692 ( -0.000 -21.459 0.000) 21.459 14.026 ( 0.000 5.221 -0.000) 5.221 14.561 ( -0.000 -5.097 0.000) 5.097 16.255 ( 0.000 4.390 -0.000) 4.390 16.330 ( -0.000 -0.334 0.000) 0.334 24.078 ( 0.000 1.431 -0.000) 1.431 24.463 ( -0.000 -5.129 0.000) 5.129 24.836 ( -0.000 -1.255 0.000) 1.255 25.269 ( -0.000 -6.697 0.000) 6.697 25.804 ( 0.000 7.577 -0.000) 7.577 26.227 ( -0.000 -2.234 0.000) 2.234 27.677 ( 0.000 7.652 -0.000) 7.652 28.220 ( -0.000 -1.858 0.000) 1.858 ======================= Grid point 381 (146/216) ======================= q-point: ( 0.36 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -6.784 16.127 10.142) 20.223 1.531 ( -11.848 13.218 6.089) 18.766 2.281 ( -2.034 0.726 -0.115) 2.163 2.459 ( -3.663 -2.897 5.574) 7.272 2.575 ( 1.451 1.718 3.650) 4.288 2.759 ( 3.918 -6.131 -0.273) 7.282 2.998 ( 3.876 1.535 0.566) 4.207 3.221 ( -6.077 19.367 1.248) 20.337 3.262 ( 5.624 -3.018 2.251) 6.768 3.483 ( -3.735 10.220 3.163) 11.332 3.961 ( -7.929 -0.866 -0.913) 8.029 4.181 ( -3.933 -10.161 1.916) 11.063 5.376 ( -0.121 17.739 0.470) 17.746 5.437 ( -0.875 13.931 -2.701) 14.218 5.871 ( 4.986 13.618 5.601) 15.546 5.987 ( -2.509 -4.041 0.034) 4.756 6.548 ( -7.448 -16.359 -0.418) 17.980 7.051 ( 8.310 -2.397 -2.875) 9.114 7.287 ( 1.104 3.264 -1.557) 3.782 8.034 ( 9.140 -11.321 -6.671) 16.007 9.277 ( 2.899 16.509 -1.809) 16.859 9.482 ( 5.589 -1.705 2.076) 6.201 9.661 ( 9.431 2.016 -4.685) 10.721 10.037 ( -7.600 7.975 -11.354) 15.820 10.309 ( -0.881 0.735 7.870) 7.954 10.682 ( -0.831 -3.008 0.643) 3.186 12.101 ( -1.631 14.245 2.201) 14.506 13.164 ( -3.508 -1.460 -3.226) 4.984 13.274 ( 0.649 -7.700 3.368) 8.430 13.497 ( -0.607 -19.032 0.138) 19.042 14.083 ( -1.829 5.107 -1.562) 5.645 14.523 ( -2.211 -5.740 -1.375) 6.303 16.281 ( 2.068 3.079 0.543) 3.748 16.305 ( 3.240 1.144 2.076) 4.015 24.098 ( -0.154 1.574 1.020) 1.882 24.383 ( 3.666 -5.296 -0.229) 6.445 24.876 ( -5.012 -0.065 0.703) 5.061 25.281 ( -9.809 -8.441 0.273) 12.944 25.837 ( 5.359 6.377 -0.201) 8.332 26.106 ( 12.528 -0.659 2.209) 12.738 27.729 ( 2.213 8.611 -1.230) 8.976 28.223 ( -4.200 -2.729 -3.074) 5.876 ======================= Grid point 382 (147/216) ======================= q-point: ( 0.45 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -7.090 11.102 6.953) 14.895 1.855 ( -9.922 4.435 11.442) 15.781 2.293 ( -0.720 -1.899 -2.435) 3.171 2.500 ( 3.577 2.533 3.363) 5.524 2.635 ( -0.974 -3.548 4.042) 5.466 2.697 ( -6.189 -2.653 7.092) 9.779 2.930 ( 5.638 0.499 -2.308) 6.112 3.176 ( 5.432 -2.567 4.317) 7.398 3.514 ( -8.076 13.175 3.156) 15.772 3.648 ( -0.191 8.031 7.599) 11.058 4.100 ( -11.952 -0.294 -1.693) 12.075 4.230 ( -8.888 -4.572 6.432) 11.886 5.522 ( 0.540 9.442 -4.331) 10.402 5.534 ( 1.675 15.877 0.860) 15.988 5.921 ( 6.229 7.314 4.463) 10.593 6.061 ( -5.461 3.811 3.751) 7.643 6.529 ( -7.532 -13.222 -0.849) 15.241 6.817 ( 13.477 -5.610 -4.657) 15.323 7.248 ( 5.083 3.019 -2.436) 6.395 7.745 ( 8.682 -10.492 -3.637) 14.096 9.244 ( 9.416 5.173 -6.741) 12.683 9.313 ( 10.349 -2.063 -6.295) 12.287 9.599 ( 4.903 9.918 0.290) 11.067 10.086 ( -6.687 2.106 -13.552) 15.258 10.403 ( 1.793 4.123 7.914) 9.102 10.662 ( 0.901 -2.898 0.231) 3.043 12.304 ( -4.554 13.967 3.883) 15.195 13.114 ( 1.738 -5.774 -2.404) 6.491 13.208 ( -1.823 -11.978 -1.636) 12.226 13.436 ( -5.650 -7.388 4.678) 10.411 14.149 ( -2.978 5.444 -3.492) 7.120 14.500 ( -4.195 -6.294 -2.744) 8.046 16.248 ( 5.640 2.959 1.222) 6.485 16.302 ( 2.594 0.972 3.558) 4.509 24.125 ( -0.320 0.775 2.147) 2.305 24.270 ( 4.547 -4.413 0.142) 6.338 24.974 ( -7.430 1.391 -2.916) 8.102 25.394 ( -14.358 -9.798 2.186) 17.520 25.703 ( 13.946 2.728 -5.930) 15.398 25.979 ( 11.280 2.852 11.027) 16.030 27.756 ( 3.504 10.405 -2.844) 11.341 28.228 ( -3.939 -4.657 -4.196) 7.404 ======================= Grid point 383 (148/216) ======================= q-point: ( 0.55 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -6.025 4.779 4.258) 8.790 2.080 ( -6.556 -2.344 8.191) 10.751 2.243 ( 1.818 0.581 -0.405) 1.951 2.497 ( 4.557 0.612 6.557) 8.008 2.633 ( -2.664 -0.151 0.634) 2.742 2.810 ( 5.936 -0.978 -4.561) 7.550 2.908 ( -7.854 3.300 7.856) 11.588 3.117 ( 3.190 -2.860 4.906) 6.514 3.689 ( 5.290 1.681 2.546) 6.107 3.742 ( -6.478 5.723 5.869) 10.448 4.323 ( -12.116 3.953 5.444) 13.859 4.435 ( -12.981 -1.816 7.566) 15.134 5.498 ( 7.983 7.824 -7.808) 13.635 5.620 ( 3.527 9.965 -1.501) 10.677 5.882 ( 6.396 -0.854 1.841) 6.711 6.227 ( -3.725 5.973 2.122) 7.352 6.487 ( -1.551 -8.202 -2.864) 8.825 6.539 ( 10.955 -4.103 1.949) 11.860 7.194 ( 3.552 4.423 0.390) 5.686 7.568 ( 1.285 -9.967 3.634) 10.687 9.022 ( 13.401 0.746 -12.143) 18.099 9.124 ( 4.431 -0.804 -7.056) 8.371 9.622 ( 5.512 10.239 -0.703) 11.650 10.089 ( -4.236 -2.410 -6.969) 8.504 10.414 ( 7.731 4.543 2.981) 9.450 10.595 ( 3.840 -3.314 -0.816) 5.138 12.532 ( -5.547 11.581 2.388) 13.062 13.036 ( -0.324 -6.484 2.382) 6.915 13.101 ( -1.849 -8.930 -6.330) 11.101 13.539 ( -6.536 -2.996 7.728) 10.556 14.220 ( -4.051 6.121 -5.974) 9.464 14.492 ( -5.827 -6.502 -3.792) 9.519 16.187 ( 7.206 2.745 0.910) 7.764 16.290 ( 3.232 -0.217 4.003) 5.149 24.152 ( -0.509 -0.794 2.899) 3.049 24.188 ( 2.481 -1.941 1.465) 3.474 25.043 ( -3.473 1.537 -7.748) 8.629 25.472 ( 9.144 1.268 -4.926) 10.464 25.552 ( -11.848 -7.649 3.844) 14.617 25.950 ( 8.077 2.121 13.927) 16.239 27.775 ( 4.360 12.659 -4.275) 14.055 28.177 ( -1.137 -7.778 -4.539) 9.077 ======================= Grid point 384 (149/216) ======================= q-point: ( 0.64 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -5.405 1.843 0.526) 5.735 2.037 ( 3.901 -2.894 -5.631) 7.437 2.374 ( -7.958 0.611 11.620) 14.097 2.465 ( 7.368 0.073 8.702) 11.403 2.670 ( 5.771 -0.612 -3.619) 6.839 2.706 ( -5.219 -0.460 -2.671) 5.881 3.033 ( 1.838 3.291 5.789) 6.908 3.141 ( -3.138 -0.713 3.138) 4.495 3.626 ( 2.876 -0.762 0.585) 3.032 3.904 ( -2.824 2.547 7.432) 8.348 4.534 ( -2.966 3.235 4.284) 6.133 4.674 ( -13.923 -1.759 8.319) 16.314 5.256 ( 18.148 2.291 -14.918) 23.604 5.563 ( 6.844 2.253 -5.985) 9.367 5.808 ( 1.784 -2.532 3.000) 4.312 6.214 ( 6.182 2.800 -6.987) 9.740 6.443 ( 1.093 -1.872 1.016) 2.394 6.478 ( 4.342 0.177 10.702) 11.551 7.286 ( -5.346 5.618 7.711) 10.936 7.573 ( -5.424 -7.143 8.714) 12.505 8.718 ( 12.555 0.020 -14.375) 19.086 9.044 ( -1.154 -0.427 -6.284) 6.403 9.594 ( 5.772 5.382 -3.521) 8.642 10.066 ( 1.741 -3.914 4.671) 6.338 10.302 ( 11.502 3.632 -4.035) 12.719 10.499 ( 3.850 -2.405 0.525) 4.570 12.666 ( -2.423 4.662 -6.425) 8.300 13.005 ( 0.003 -0.565 -3.422) 3.468 13.092 ( -6.923 -5.517 7.628) 11.686 13.679 ( -5.725 -1.132 9.134) 10.839 14.289 ( -5.379 5.565 -9.298) 12.098 14.500 ( -6.699 -5.326 -4.200) 9.533 16.089 ( 8.557 1.474 -0.650) 8.708 16.263 ( 3.517 -0.643 3.601) 5.074 24.168 ( -0.275 0.623 2.913) 2.992 24.193 ( -1.614 -1.824 3.578) 4.329 24.954 ( 7.154 0.396 -7.701) 10.518 25.406 ( -4.806 1.957 -9.070) 10.449 25.638 ( 2.740 -3.801 11.222) 12.161 26.029 ( -6.155 -0.528 10.600) 12.269 27.793 ( 5.695 14.826 -4.699) 16.563 28.046 ( 1.784 -11.851 -4.557) 12.821 ======================= Grid point 385 (150/216) ======================= q-point: (-0.27 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 8.411 -0.000 -8.166) 11.723 2.098 ( -4.550 -0.000 -1.268) 4.723 2.407 ( 5.908 0.000 1.029) 5.997 2.569 ( 5.686 0.000 5.660) 8.023 2.577 ( -7.047 0.000 7.162) 10.048 2.758 ( -6.488 -0.000 -5.571) 8.552 3.085 ( 0.461 0.000 8.677) 8.689 3.141 ( 2.869 -0.000 -2.389) 3.734 3.618 ( -0.592 -0.000 -1.143) 1.287 3.987 ( 1.013 0.000 8.167) 8.230 4.512 ( 8.359 0.000 0.297) 8.364 4.869 ( 14.589 -0.000 -12.332) 19.103 4.972 ( -15.087 0.000 7.702) 16.939 5.405 ( 7.914 -0.000 -7.335) 10.791 5.796 ( 1.242 0.000 0.920) 1.545 6.049 ( 6.734 -0.000 -11.418) 13.256 6.357 ( 8.453 0.000 -1.512) 8.587 6.564 ( -0.613 0.000 16.302) 16.314 7.471 ( -2.632 0.000 9.086) 9.460 7.724 ( -8.593 0.000 10.331) 13.438 8.476 ( 4.470 -0.000 -10.232) 11.166 9.052 ( -5.150 -0.000 -3.883) 6.450 9.504 ( 5.592 -0.000 -1.891) 5.903 10.055 ( 5.499 0.000 12.201) 13.383 10.082 ( 13.692 -0.000 -6.516) 15.164 10.462 ( 0.477 0.000 1.093) 1.193 12.596 ( 1.810 -0.000 -15.059) 15.167 13.022 ( -1.600 0.000 3.832) 4.153 13.254 ( -7.994 0.000 8.667) 11.790 13.825 ( -4.653 0.000 9.723) 10.779 14.326 ( -6.700 -0.000 -12.846) 14.488 14.540 ( -6.590 -0.000 -4.523) 7.993 15.947 ( 9.469 0.000 -2.390) 9.766 16.229 ( 3.344 0.000 1.994) 3.894 24.213 ( -1.632 0.000 2.459) 2.951 24.254 ( -3.338 0.000 5.052) 6.056 24.790 ( 6.502 -0.000 -5.074) 8.248 25.455 ( -10.216 -0.000 -12.802) 16.378 25.594 ( 12.591 0.000 14.993) 19.578 26.263 ( -14.830 0.000 7.232) 16.499 27.751 ( 10.212 -0.000 -3.850) 10.913 27.890 ( 1.455 -0.000 -4.229) 4.472 ======================= Grid point 392 (151/216) ======================= q-point: ( 0.36 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 14.839 27.909) 31.608 1.319 ( 0.000 17.055 8.525) 19.067 2.244 ( 0.000 3.582 -0.014) 3.582 2.530 ( -0.000 -1.926 10.069) 10.252 2.553 ( 0.000 15.724 10.286) 18.789 2.855 ( -0.000 -6.670 0.341) 6.679 3.008 ( 0.000 12.421 -1.703) 12.537 3.058 ( 0.000 0.798 4.533) 4.603 3.334 ( 0.000 13.181 6.856) 14.857 3.411 ( -0.000 -8.071 3.436) 8.772 3.902 ( -0.000 -1.288 -1.954) 2.341 4.264 ( -0.000 -10.671 3.027) 11.092 5.210 ( 0.000 17.300 0.033) 17.300 5.262 ( 0.000 17.075 -3.058) 17.347 5.853 ( 0.000 12.380 10.920) 16.508 6.012 ( -0.000 -5.320 -1.284) 5.473 6.611 ( -0.000 -12.413 -4.342) 13.150 7.098 ( -0.000 -0.721 -6.371) 6.411 7.235 ( 0.000 4.316 -2.080) 4.791 8.112 ( -0.000 -9.316 -15.717) 18.270 9.114 ( 0.000 19.295 -0.044) 19.295 9.582 ( -0.000 -1.614 4.486) 4.767 9.722 ( -0.000 -3.398 -11.769) 12.250 9.750 ( 0.000 8.894 -12.557) 15.387 10.344 ( 0.000 2.919 5.994) 6.667 10.704 ( -0.000 -1.667 0.693) 1.805 11.994 ( 0.000 12.099 5.389) 13.245 13.125 ( -0.000 -0.800 -2.284) 2.421 13.371 ( -0.000 -8.398 4.893) 9.720 13.688 ( -0.000 -20.872 -0.615) 20.882 14.005 ( 0.000 4.916 -2.643) 5.581 14.542 ( -0.000 -5.541 -2.404) 6.040 16.273 ( 0.000 4.521 2.287) 5.067 16.339 ( 0.000 1.102 1.142) 1.588 24.093 ( 0.000 1.273 1.910) 2.295 24.458 ( -0.000 -4.931 -0.574) 4.964 24.875 ( -0.000 -3.186 4.662) 5.646 25.267 ( -0.000 -6.828 -0.354) 6.838 25.825 ( 0.000 7.269 2.670) 7.743 26.233 ( -0.000 -2.194 0.747) 2.318 27.660 ( 0.000 7.782 -2.170) 8.079 28.156 ( 0.000 0.281 -7.945) 7.950 ======================= Grid point 393 (152/216) ======================= q-point: ( 0.45 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -1.377 13.391 11.721) 17.849 1.745 ( -9.772 11.153 20.824) 25.564 2.281 ( -0.727 1.413 0.106) 1.592 2.583 ( 3.587 0.188 8.890) 9.588 2.683 ( -2.205 -1.490 8.160) 8.583 2.761 ( 1.665 -7.699 1.994) 8.125 3.018 ( 7.094 1.757 2.504) 7.726 3.276 ( -7.111 18.482 6.529) 20.852 3.324 ( 4.833 -3.903 5.713) 8.440 3.590 ( -6.144 10.209 11.478) 16.544 3.934 ( -6.971 -0.284 -2.439) 7.391 4.245 ( -4.267 -8.011 6.749) 11.311 5.361 ( -3.214 13.361 -3.170) 14.103 5.415 ( 2.387 18.780 1.719) 19.009 5.967 ( 0.374 -1.108 1.257) 1.717 6.029 ( 1.918 9.404 9.815) 13.727 6.529 ( -5.693 -11.170 -2.294) 12.746 6.960 ( 7.060 -3.095 -8.966) 11.824 7.245 ( 1.922 3.918 -3.661) 5.696 7.877 ( 4.217 -9.188 -11.944) 15.648 9.222 ( 5.997 14.076 -5.389) 16.221 9.454 ( 11.764 -2.182 -10.083) 15.647 9.578 ( 1.163 2.527 -2.633) 3.830 9.803 ( -9.611 2.623 -18.193) 20.742 10.440 ( 0.990 5.883 8.325) 10.242 10.700 ( 0.437 -1.231 1.605) 2.069 12.173 ( -2.226 12.299 7.382) 14.516 13.102 ( -0.425 -1.581 -4.238) 4.543 13.346 ( -1.692 -10.891 5.710) 12.413 13.500 ( -1.205 -16.704 0.226) 16.748 14.036 ( -1.617 4.728 -4.430) 6.678 14.481 ( -2.424 -6.315 -4.034) 7.875 16.302 ( 3.773 3.839 2.085) 5.772 16.354 ( 1.585 1.593 3.916) 4.515 24.127 ( -0.569 1.244 2.752) 3.074 24.377 ( 3.672 -4.799 -0.390) 6.056 24.893 ( -2.065 -1.948 1.306) 3.125 25.289 ( -11.336 -8.632 0.752) 14.268 25.834 ( 9.964 4.831 -0.004) 11.073 26.168 ( 6.572 0.558 5.699) 8.717 27.692 ( 2.733 8.601 -3.470) 9.669 28.137 ( -4.763 -0.560 -7.733) 9.099 ======================= Grid point 394 (153/216) ======================= q-point: ( 0.55 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -4.234 8.339 7.051) 11.713 2.078 ( -6.107 3.073 14.688) 16.201 2.265 ( 2.677 0.276 -0.935) 2.849 2.585 ( 2.622 -0.023 7.867) 8.293 2.669 ( 2.228 -0.823 1.875) 3.025 2.849 ( -5.775 0.240 9.645) 11.244 2.908 ( 8.159 -1.356 0.402) 8.281 3.246 ( 5.358 -3.275 4.808) 7.909 3.600 ( -9.277 9.636 8.190) 15.685 3.782 ( 5.307 5.417 7.365) 10.572 4.121 ( -15.956 3.715 6.756) 17.721 4.362 ( -8.651 -3.110 11.150) 14.451 5.455 ( 3.832 11.794 -3.775) 12.963 5.555 ( 1.622 12.973 1.587) 13.170 5.969 ( 1.146 -0.320 1.588) 1.984 6.158 ( -0.189 6.967 8.047) 10.645 6.498 ( -3.244 -7.494 -3.685) 8.959 6.716 ( 9.926 -4.188 -7.730) 13.260 7.206 ( 3.656 4.077 -2.675) 6.095 7.673 ( 0.953 -9.721 -5.615) 11.267 9.105 ( 12.321 6.507 -11.296) 17.937 9.187 ( 10.257 -1.244 -8.832) 13.593 9.581 ( 0.531 3.458 -4.373) 5.601 9.853 ( -11.359 4.101 -16.123) 20.144 10.506 ( 5.362 5.392 5.237) 9.233 10.677 ( 3.287 -0.986 2.145) 4.047 12.389 ( -3.934 11.033 6.990) 13.640 13.042 ( 0.618 -2.216 -5.020) 5.522 13.231 ( 0.752 -17.181 3.260) 17.504 13.514 ( -7.930 -5.328 5.563) 11.056 14.070 ( -2.458 5.017 -6.805) 8.805 14.438 ( -4.658 -6.788 -5.249) 9.764 16.273 ( 6.431 3.711 1.844) 7.651 16.368 ( 2.660 0.641 4.791) 5.518 24.171 ( -0.838 0.295 3.726) 3.831 24.273 ( 4.256 -3.475 0.325) 5.504 24.918 ( -3.996 -0.548 -4.207) 5.828 25.432 ( -15.662 -8.866 2.482) 18.167 25.629 ( 16.018 1.579 -3.686) 16.512 26.167 ( 7.307 3.439 13.482) 15.716 27.691 ( 3.770 10.021 -5.659) 12.111 28.140 ( -4.503 -3.126 -6.842) 8.767 ======================= Grid point 395 (154/216) ======================= q-point: ( 0.64 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -4.135 3.769 2.671) 6.200 2.094 ( 3.216 -6.187 -2.891) 7.549 2.345 ( -3.498 4.682 8.999) 10.730 2.620 ( 4.192 0.840 9.269) 10.207 2.676 ( 0.272 1.112 4.144) 4.299 2.761 ( 6.872 -2.524 -1.205) 7.419 3.012 ( -3.392 4.649 5.702) 8.101 3.192 ( 1.752 -4.026 5.118) 6.743 3.719 ( 7.291 0.362 1.013) 7.370 3.854 ( -6.418 5.371 8.649) 12.035 4.453 ( -9.421 5.429 11.435) 15.779 4.584 ( -10.588 -1.802 11.720) 15.897 5.378 ( 13.704 6.709 -7.134) 16.844 5.588 ( 5.366 5.734 -2.493) 8.239 5.906 ( 4.482 -4.181 0.742) 6.174 6.218 ( 4.730 4.141 -4.968) 8.013 6.451 ( -1.826 -1.509 -0.118) 2.372 6.580 ( 2.803 -0.085 2.940) 4.063 7.224 ( -1.498 6.190 3.617) 7.324 7.607 ( -6.292 -9.698 0.930) 11.598 8.819 ( 16.057 3.139 -13.653) 21.309 9.032 ( 3.752 -0.987 -3.791) 5.424 9.547 ( -0.295 2.523 -10.023) 10.340 9.962 ( -10.030 3.621 -8.865) 13.867 10.437 ( 10.783 2.667 -0.502) 11.119 10.620 ( 6.230 -0.987 4.577) 7.793 12.557 ( -1.727 6.478 0.195) 6.707 12.990 ( -0.383 -1.006 -1.623) 1.948 13.144 ( -3.148 -11.306 5.887) 13.130 13.654 ( -8.086 -2.670 7.551) 11.382 14.098 ( -3.339 5.299 -9.879) 11.697 14.418 ( -6.319 -6.442 -5.758) 10.704 16.202 ( 8.433 2.745 0.887) 8.912 16.355 ( 3.874 -0.282 4.292) 5.788 24.205 ( 1.799 -1.169 2.819) 3.543 24.217 ( -0.722 -0.899 3.323) 3.518 24.923 ( -2.227 -0.026 -7.846) 8.156 25.386 ( 11.232 1.614 -5.261) 12.508 25.626 ( -15.375 -7.865 4.535) 17.855 26.188 ( 9.337 2.832 16.994) 19.596 27.687 ( 3.505 12.210 -7.394) 14.698 28.093 ( -1.704 -7.005 -6.125) 9.460 ======================= Grid point 396 (155/216) ======================= q-point: (-0.27 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 5.367 -1.807 -7.546) 9.435 2.028 ( -3.522 -0.794 0.969) 3.738 2.505 ( -3.795 2.075 4.589) 6.306 2.534 ( 7.739 -0.803 -0.403) 7.791 2.700 ( 2.413 0.361 6.846) 7.267 2.717 ( 1.391 -0.640 4.665) 4.910 3.118 ( -0.456 4.578 4.093) 6.158 3.185 ( 1.027 -2.648 4.200) 5.070 3.642 ( 3.592 -0.058 1.037) 3.739 4.019 ( -2.443 2.427 7.438) 8.197 4.621 ( 3.230 2.842 6.914) 8.144 4.819 ( -12.357 -1.035 10.029) 15.948 5.067 ( 19.413 -0.710 -8.612) 21.249 5.480 ( 8.214 0.922 -4.967) 9.643 5.834 ( 2.477 -0.986 -0.005) 2.667 6.066 ( 7.972 1.305 -11.843) 14.335 6.448 ( 4.123 -0.177 0.067) 4.127 6.627 ( -1.548 1.896 7.975) 8.342 7.438 ( -8.117 7.951 11.370) 16.075 7.675 ( -9.955 -8.028 4.521) 13.564 8.518 ( 12.138 1.147 -11.504) 16.763 8.984 ( -0.972 -1.035 -0.520) 1.512 9.499 ( -0.977 1.390 -8.948) 9.108 10.070 ( -6.578 2.463 -3.741) 7.958 10.247 ( 12.846 -0.284 -3.428) 13.298 10.548 ( 6.992 -0.743 5.788) 9.108 12.533 ( 2.928 0.435 -9.589) 10.035 13.032 ( -1.687 1.096 6.079) 6.403 13.211 ( -7.496 -3.873 7.408) 11.227 13.813 ( -6.783 -1.070 8.514) 10.938 14.114 ( -4.645 4.050 -13.431) 14.777 14.424 ( -6.863 -4.332 -5.742) 9.942 16.082 ( 10.090 1.202 -0.451) 10.171 16.313 ( 4.744 -0.547 2.785) 5.528 24.210 ( -0.020 1.302 2.327) 2.667 24.264 ( -2.369 -1.927 5.563) 6.346 24.845 ( 4.635 -0.073 -6.608) 8.072 25.267 ( -0.920 0.833 -8.546) 8.635 25.795 ( -5.731 -3.742 8.371) 10.813 26.219 ( 3.014 0.768 14.527) 14.856 27.703 ( 3.613 15.176 -7.170) 17.169 27.964 ( 1.027 -12.207 -5.761) 13.537 ======================= Grid point 397 (156/216) ======================= q-point: (-0.18 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 7.605 -0.000 -7.824) 10.911 2.067 ( -0.066 -0.000 -2.690) 2.691 2.356 ( 7.054 -0.000 -4.106) 8.162 2.641 ( -5.787 -0.000 1.338) 5.940 2.712 ( 0.042 -0.000 -0.260) 0.264 2.735 ( 3.150 0.000 11.360) 11.788 3.129 ( 3.721 0.000 1.602) 4.051 3.208 ( 0.827 0.000 6.728) 6.778 3.587 ( 4.920 -0.000 -2.765) 5.644 4.099 ( -0.819 0.000 5.983) 6.039 4.531 ( 13.459 0.000 1.757) 13.574 4.751 ( 14.939 0.000 -1.698) 15.036 5.090 ( -13.984 0.000 6.674) 15.495 5.306 ( 8.044 -0.000 -5.578) 9.789 5.780 ( 3.658 -0.000 -2.999) 4.730 5.848 ( 7.297 -0.000 -14.501) 16.233 6.339 ( 8.313 0.000 -0.196) 8.315 6.750 ( -4.737 0.000 7.710) 9.049 7.627 ( 3.778 0.000 10.889) 11.526 7.845 ( -12.395 0.000 5.087) 13.398 8.365 ( -1.731 -0.000 -4.424) 4.751 9.038 ( -5.914 0.000 2.275) 6.336 9.474 ( -0.799 -0.000 -2.261) 2.398 10.001 ( 14.142 0.000 -3.698) 14.618 10.160 ( -4.041 -0.000 1.115) 4.192 10.501 ( 3.494 0.000 4.490) 5.689 12.382 ( 5.269 -0.000 -12.124) 13.219 13.124 ( -1.826 0.000 9.068) 9.250 13.375 ( -8.192 0.000 6.977) 10.760 13.966 ( -5.254 0.000 8.709) 10.170 14.099 ( -5.768 -0.000 -16.598) 17.571 14.459 ( -6.491 -0.000 -6.037) 8.864 15.917 ( 11.129 0.000 -1.550) 11.237 16.248 ( 5.048 0.000 0.548) 5.078 24.247 ( -1.624 0.000 1.882) 2.485 24.337 ( -1.685 0.000 5.417) 5.673 24.732 ( 3.295 -0.000 -2.350) 4.047 25.266 ( -7.685 -0.000 -11.647) 13.954 25.818 ( 11.068 0.000 13.626) 17.554 26.372 ( -11.417 0.000 7.187) 13.491 27.699 ( 10.089 -0.000 -2.958) 10.514 27.799 ( -2.227 -0.000 -7.321) 7.652 ======================= Grid point 404 (157/216) ======================= q-point: ( 0.45 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 0.000 13.994 12.189) 18.558 1.738 ( 0.000 13.580 25.185) 28.612 2.247 ( 0.000 3.991 0.314) 4.004 2.666 ( 0.000 5.938 4.742) 7.599 2.741 ( -0.000 -2.843 9.193) 9.623 2.881 ( -0.000 -9.904 3.098) 10.378 3.052 ( 0.000 20.828 12.699) 24.394 3.164 ( 0.000 1.966 10.195) 10.383 3.496 ( 0.000 6.298 13.570) 14.960 3.498 ( -0.000 -4.155 8.766) 9.701 3.861 ( 0.000 0.333 -3.312) 3.329 4.347 ( -0.000 -8.546 8.456) 12.022 5.171 ( 0.000 15.264 -2.466) 15.462 5.284 ( 0.000 18.352 4.258) 18.839 5.983 ( -0.000 -3.217 -2.534) 4.095 6.049 ( 0.000 10.867 13.738) 17.517 6.508 ( -0.000 -0.755 -8.970) 9.002 6.967 ( -0.000 -4.315 -10.198) 11.073 7.189 ( 0.000 4.439 -3.894) 5.905 7.880 ( -0.000 -7.791 -13.391) 15.493 9.106 ( 0.000 14.998 -1.390) 15.063 9.417 ( 0.000 8.705 -20.794) 22.543 9.474 ( -0.000 -1.924 -19.594) 19.688 9.661 ( -0.000 -6.344 -4.723) 7.909 10.446 ( 0.000 8.182 7.269) 10.945 10.718 ( 0.000 0.689 1.054) 1.259 12.132 ( 0.000 8.823 12.524) 15.320 13.085 ( -0.000 -0.813 -2.563) 2.689 13.469 ( -0.000 -11.240 7.227) 13.363 13.668 ( -0.000 -18.916 -2.289) 19.054 13.951 ( 0.000 3.222 -3.990) 5.128 14.489 ( -0.000 -7.021 -4.480) 8.328 16.318 ( 0.000 4.856 3.314) 5.879 16.360 ( 0.000 4.036 1.448) 4.288 24.134 ( 0.000 0.824 3.455) 3.552 24.448 ( -0.000 -4.607 -0.677) 4.657 24.961 ( -0.000 -6.654 5.957) 8.931 25.259 ( -0.000 -7.209 -0.733) 7.246 25.885 ( 0.000 6.270 5.017) 8.030 26.248 ( -0.000 -2.073 1.140) 2.366 27.614 ( 0.000 8.172 -3.609) 8.934 28.000 ( 0.000 4.401 -11.545) 12.356 ======================= Grid point 405 (158/216) ======================= q-point: ( 0.55 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -0.830 10.208 10.732) 14.835 2.056 ( -3.954 10.040 17.270) 20.364 2.283 ( 0.781 2.449 0.043) 2.571 2.685 ( 3.021 -0.393 1.625) 3.453 2.730 ( 1.436 -2.950 2.733) 4.271 2.867 ( -1.581 -1.252 7.443) 7.712 3.098 ( 11.069 -0.974 8.157) 13.784 3.423 ( 1.690 -6.413 6.650) 9.392 3.443 ( -2.595 13.543 15.792) 20.965 3.833 ( -0.867 11.232 14.781) 18.584 3.902 ( -14.057 0.445 3.431) 14.477 4.401 ( -3.857 -4.671 14.149) 15.391 5.329 ( -1.916 14.274 -0.194) 14.403 5.464 ( 1.567 16.160 4.356) 16.810 5.959 ( -1.773 -1.205 -1.445) 2.585 6.208 ( 3.924 8.743 11.738) 15.153 6.465 ( -1.719 -1.026 -6.515) 6.816 6.793 ( 4.066 -6.410 -11.748) 13.987 7.181 ( 1.763 4.000 -4.663) 6.392 7.701 ( 0.766 -8.351 -10.905) 13.756 9.104 ( 9.349 10.217 -10.848) 17.592 9.234 ( 4.985 0.537 -15.714) 16.494 9.482 ( -12.110 5.727 -18.758) 23.050 9.543 ( 1.869 -2.636 -7.387) 8.063 10.558 ( 3.538 8.098 6.842) 11.176 10.732 ( 1.784 1.752 2.643) 3.638 12.325 ( -2.125 8.282 12.228) 14.920 13.048 ( 1.159 -1.767 -2.398) 3.196 13.431 ( 0.012 -16.397 3.889) 16.852 13.511 ( -4.546 -10.292 2.169) 11.459 13.952 ( -1.087 3.288 -6.301) 7.190 14.401 ( -2.892 -7.625 -6.333) 10.325 16.337 ( 5.009 4.730 2.266) 7.253 16.415 ( 0.352 2.393 3.846) 4.544 24.178 ( -1.041 0.737 3.723) 3.935 24.373 ( 3.538 -4.184 -0.223) 5.483 24.909 ( 2.249 -4.246 0.745) 4.863 25.303 ( -13.464 -8.900 0.974) 16.169 25.839 ( 14.971 2.911 0.640) 15.265 26.272 ( -1.193 1.817 7.646) 7.950 27.625 ( 4.202 8.536 -5.143) 10.816 28.003 ( -5.557 2.287 -9.205) 10.993 ======================= Grid point 406 (159/216) ======================= q-point: ( 0.64 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -1.491 5.420 6.805) 8.827 2.196 ( 2.824 -6.102 0.100) 6.725 2.313 ( -0.815 8.547 7.649) 11.499 2.680 ( 0.065 2.841 0.832) 2.961 2.736 ( 1.433 -0.159 8.858) 8.975 2.916 ( 6.972 -1.605 2.384) 7.541 2.998 ( 3.095 2.609 7.768) 8.759 3.330 ( 4.532 -6.349 6.326) 10.043 3.758 ( -7.655 6.086 11.006) 14.723 3.820 ( 5.481 2.950 -0.189) 6.228 4.337 ( -12.842 7.761 19.346) 24.483 4.577 ( -6.274 -1.319 16.729) 17.915 5.421 ( 6.065 10.570 -0.267) 12.190 5.579 ( 3.394 9.473 1.476) 10.170 5.975 ( -0.027 -0.550 -0.939) 1.088 6.240 ( 7.797 3.859 -1.923) 8.910 6.426 ( -0.894 0.942 -1.929) 2.325 6.622 ( 1.394 -3.531 -3.819) 5.385 7.168 ( -0.012 4.783 -2.852) 5.569 7.581 ( -5.139 -8.705 -5.507) 11.511 8.902 ( 13.955 6.739 -14.972) 21.547 9.088 ( 4.398 -0.218 -3.154) 5.416 9.395 ( -3.897 -2.243 -19.901) 20.403 9.655 ( -11.976 6.825 -9.233) 16.591 10.558 ( 9.663 5.843 1.765) 11.430 10.736 ( 4.267 2.205 5.239) 7.107 12.506 ( -1.357 5.759 7.733) 9.737 12.997 ( 0.630 -1.974 -0.319) 2.097 13.282 ( 0.134 -14.816 3.042) 15.126 13.607 ( -9.215 -4.535 6.442) 12.123 13.944 ( -1.541 3.562 -9.272) 10.052 14.342 ( -5.540 -7.624 -7.232) 11.879 16.299 ( 7.282 4.084 1.421) 8.469 16.439 ( 2.618 0.783 4.197) 5.008 24.230 ( -1.363 0.043 3.509) 3.764 24.284 ( 3.731 -2.560 1.391) 4.733 24.851 ( -0.596 -2.547 -4.380) 5.102 25.462 ( -13.421 -6.567 1.275) 14.996 25.591 ( 14.351 -1.160 -1.354) 14.461 26.387 ( 2.781 4.088 15.061) 15.852 27.583 ( 4.615 9.147 -8.575) 13.361 28.031 ( -4.759 -1.168 -7.002) 8.546 ======================= Grid point 407 (160/216) ======================= q-point: ( 0.73 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 0.731 0.483 0.713) 1.129 2.055 ( 3.760 -5.130 -1.771) 6.602 2.458 ( -3.190 3.957 6.205) 8.021 2.694 ( 7.522 0.381 -0.241) 7.535 2.741 ( 6.256 3.238 3.612) 7.917 2.815 ( 1.290 -1.188 7.355) 7.562 3.084 ( -1.128 4.549 3.512) 5.857 3.280 ( 1.360 -5.627 6.407) 8.635 3.719 ( 5.964 1.349 -0.893) 6.179 4.001 ( -4.351 4.016 10.119) 11.724 4.655 ( -3.190 6.295 14.195) 15.853 4.782 ( -5.722 -0.784 13.379) 14.572 5.301 ( 16.251 1.912 -2.225) 16.514 5.548 ( 6.941 3.115 -2.773) 8.098 5.885 ( 4.433 -2.019 -4.092) 6.362 6.082 ( 8.678 3.890 -10.927) 14.485 6.485 ( -0.546 0.630 3.299) 3.403 6.623 ( -1.857 1.744 2.645) 3.672 7.275 ( -8.606 7.639 0.568) 11.522 7.628 ( -11.590 -9.121 4.936) 15.553 8.616 ( 15.621 4.998 -12.854) 20.838 9.032 ( 3.108 -1.086 3.830) 5.051 9.317 ( -7.488 -0.549 -18.904) 20.340 9.825 ( -13.054 3.926 -9.210) 16.451 10.418 ( 13.770 3.284 -1.341) 14.220 10.710 ( 7.127 1.171 6.200) 9.519 12.536 ( 3.752 -0.042 -2.315) 4.409 13.036 ( -2.671 1.712 7.058) 7.738 13.232 ( -3.820 -8.860 5.416) 11.065 13.771 ( -8.817 -1.923 7.209) 11.550 13.923 ( -2.412 3.301 -12.426) 13.081 14.318 ( -7.110 -6.405 -7.179) 11.963 16.212 ( 9.311 2.668 0.393) 9.694 16.415 ( 4.663 -0.246 3.316) 5.727 24.229 ( 1.715 0.390 1.065) 2.056 24.293 ( -1.680 -1.436 5.662) 6.078 24.806 ( -1.504 -1.522 -7.253) 7.562 25.318 ( 13.569 1.581 -3.571) 14.120 25.683 ( -17.289 -7.965 2.952) 19.263 26.465 ( 9.355 3.605 19.056) 21.532 27.545 ( 1.904 10.993 -11.246) 15.841 28.001 ( -1.533 -5.678 -5.518) 8.064 ======================= Grid point 408 (161/216) ======================= q-point: (-0.18 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 7.298 -3.559 -5.819) 9.990 2.040 ( -2.074 -0.781 0.621) 2.301 2.487 ( 12.681 -0.637 -2.443) 12.930 2.582 ( -3.720 0.939 4.054) 5.582 2.738 ( 2.343 1.850 0.542) 3.034 2.847 ( 2.770 0.898 7.343) 7.899 3.154 ( -0.772 2.814 1.854) 3.457 3.273 ( 0.611 -2.757 5.700) 6.362 3.652 ( 5.263 1.377 0.263) 5.446 4.119 ( -0.523 1.491 5.069) 5.309 4.737 ( 9.745 3.244 8.000) 13.018 4.953 ( -5.132 -1.031 6.424) 8.287 5.028 ( 13.418 -1.597 4.276) 14.173 5.406 ( 9.570 0.362 -5.066) 10.834 5.795 ( 3.831 2.021 -5.344) 6.879 5.875 ( 8.383 -1.133 -11.725) 14.458 6.454 ( 5.602 -0.916 0.947) 5.755 6.714 ( -3.063 2.922 3.477) 5.479 7.558 ( -16.004 8.781 1.483) 18.314 7.778 ( -6.583 -7.284 11.974) 15.484 8.367 ( 8.231 1.070 -8.525) 11.898 9.032 ( 0.473 -0.743 5.981) 6.045 9.329 ( -10.109 0.513 -12.332) 15.954 9.980 ( -12.299 1.742 -7.201) 14.358 10.204 ( 14.746 0.888 -1.770) 14.878 10.645 ( 7.960 0.134 5.881) 9.897 12.406 ( 6.501 -1.455 -6.422) 9.253 13.167 ( -2.055 1.738 11.111) 11.433 13.310 ( -7.803 -3.189 5.400) 10.011 13.884 ( -3.830 2.984 -15.930) 16.653 13.942 ( -7.012 -1.324 7.995) 10.716 14.326 ( -7.197 -3.796 -6.893) 10.664 16.075 ( 10.970 1.042 -0.421) 11.028 16.347 ( 6.188 -0.517 1.658) 6.427 24.238 ( -0.156 1.463 1.348) 1.996 24.358 ( -2.329 -1.236 6.469) 6.985 24.748 ( 0.842 -0.868 -6.100) 6.219 25.155 ( 4.131 0.673 -5.858) 7.200 25.889 ( -12.667 -4.184 4.225) 13.993 26.463 ( 11.172 1.637 16.416) 19.924 27.571 ( -0.859 14.183 -9.937) 17.339 27.883 ( 1.872 -11.227 -4.349) 12.185 ======================= Grid point 409 (162/216) ======================= q-point: (-0.09 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 7.071 -0.000 -5.025) 8.675 2.025 ( 5.719 -0.000 -2.373) 6.192 2.311 ( 4.912 -0.000 -1.794) 5.229 2.650 ( -1.855 0.000 0.536) 1.931 2.720 ( 0.961 0.000 0.386) 1.035 2.851 ( 2.921 0.000 3.676) 4.695 3.200 ( 0.104 0.000 6.636) 6.637 3.280 ( 2.265 0.000 2.765) 3.574 3.541 ( 9.953 -0.000 -3.041) 10.407 4.158 ( -1.621 0.000 1.797) 2.420 4.554 ( 20.165 0.000 1.100) 20.195 4.823 ( 13.329 0.000 10.074) 16.708 5.137 ( 1.908 -0.000 -2.579) 3.208 5.253 ( -5.036 -0.000 -0.128) 5.038 5.630 ( 7.675 -0.000 -12.611) 14.763 5.720 ( 5.307 -0.000 -3.933) 6.606 6.355 ( 6.884 0.000 1.846) 7.127 6.810 ( -5.732 -0.000 1.007) 5.820 7.779 ( 10.702 0.000 7.941) 13.326 7.887 ( -17.224 -0.000 0.977) 17.252 8.328 ( -7.451 -0.000 -0.877) 7.502 9.103 ( -5.016 0.000 4.919) 7.025 9.433 ( -10.048 -0.000 -2.820) 10.436 9.972 ( 14.602 0.000 -0.428) 14.608 10.125 ( -10.809 -0.000 -3.846) 11.473 10.576 ( 5.825 0.000 4.205) 7.184 12.239 ( 7.842 -0.000 -6.342) 10.086 13.294 ( -1.667 0.000 13.026) 13.133 13.461 ( -8.347 0.000 4.010) 9.260 13.830 ( -4.508 -0.000 -17.963) 18.520 14.093 ( -5.306 0.000 7.849) 9.474 14.359 ( -6.539 -0.000 -6.794) 9.429 15.899 ( 12.022 0.000 -0.801) 12.048 16.250 ( 6.774 0.000 -0.074) 6.775 24.269 ( -1.696 0.000 0.952) 1.945 24.408 ( 2.129 0.000 3.534) 4.126 24.719 ( -3.116 -0.000 0.446) 3.147 25.110 ( -4.267 -0.000 -8.253) 9.291 25.986 ( 5.961 0.000 7.737) 9.767 26.482 ( -4.055 0.000 6.611) 7.756 27.663 ( 9.887 0.000 -1.603) 10.016 27.683 ( -5.938 -0.000 -6.969) 9.156 ======================= Grid point 410 (163/216) ======================= q-point: ( 0.00 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 6.930 0.000 -0.000) 6.930 2.006 ( 8.315 0.000 -0.000) 8.315 2.298 ( 3.763 0.000 -0.000) 3.763 2.656 ( 0.473 0.000 -0.000) 0.473 2.721 ( 0.242 0.000 -0.000) 0.242 2.874 ( 3.296 0.000 -0.000) 3.296 3.266 ( -4.128 -0.000 0.000) 4.128 3.300 ( 2.910 0.000 -0.000) 2.910 3.511 ( 13.368 0.000 -0.000) 13.368 4.169 ( -1.739 -0.000 0.000) 1.739 4.563 ( 23.915 0.000 -0.000) 23.915 4.982 ( 13.753 0.000 -0.000) 13.753 5.039 ( 9.576 0.000 -0.000) 9.576 5.266 ( -13.156 -0.000 0.000) 13.156 5.521 ( 8.298 0.000 -0.000) 8.298 5.686 ( 5.426 0.000 -0.000) 5.426 6.374 ( 6.043 0.000 -0.000) 6.043 6.812 ( -5.436 -0.000 0.000) 5.436 7.844 ( 14.006 0.000 -0.000) 14.006 7.892 ( -19.396 -0.000 0.000) 19.396 8.324 ( -9.677 -0.000 0.000) 9.677 9.148 ( -4.231 -0.000 0.000) 4.231 9.407 ( -14.607 -0.000 0.000) 14.607 9.972 ( 14.484 0.000 -0.000) 14.484 10.089 ( -12.903 -0.000 0.000) 12.903 10.610 ( 6.162 0.000 -0.000) 6.162 12.191 ( 8.869 0.000 -0.000) 8.869 13.471 ( -0.961 -0.000 0.000) 0.961 13.492 ( -8.416 -0.000 0.000) 8.416 13.613 ( -4.491 -0.000 0.000) 4.491 14.179 ( -4.710 -0.000 0.000) 4.710 14.281 ( -7.124 -0.000 0.000) 7.124 15.893 ( 12.287 0.000 -0.000) 12.287 16.249 ( 7.502 0.000 -0.000) 7.502 24.276 ( -1.730 -0.000 0.000) 1.730 24.436 ( 4.812 0.000 -0.000) 4.812 24.728 ( -8.190 -0.000 0.000) 8.190 25.040 ( -1.558 -0.000 0.000) 1.558 26.046 ( 2.654 0.000 -0.000) 2.654 26.541 ( 0.676 0.000 -0.000) 0.676 27.622 ( -7.945 -0.000 0.000) 7.945 27.651 ( 9.797 0.000 -0.000) 9.797 ======================= Grid point 416 (164/216) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -0.000 11.090 12.472) 16.690 2.045 ( 0.000 15.252 15.632) 21.841 2.246 ( 0.000 3.985 -0.804) 4.066 2.673 ( 0.000 7.735 -2.498) 8.128 2.782 ( -0.000 -3.609 -0.158) 3.612 2.914 ( -0.000 -3.847 0.523) 3.883 3.355 ( -0.000 -1.421 12.844) 12.922 3.356 ( -0.000 2.898 18.074) 18.305 3.704 ( -0.000 0.759 11.793) 11.817 3.746 ( 0.000 0.799 21.598) 21.613 3.816 ( 0.000 8.648 3.253) 9.240 4.539 ( -0.000 -4.931 16.702) 17.414 5.183 ( 0.000 14.712 4.952) 15.523 5.371 ( 0.000 15.850 7.220) 17.417 5.933 ( 0.000 -0.650 -4.190) 4.240 6.251 ( 0.000 8.884 12.013) 14.941 6.349 ( 0.000 8.707 -11.249) 14.225 6.802 ( 0.000 -7.934 -10.966) 13.536 7.117 ( -0.000 4.053 -5.447) 6.789 7.691 ( -0.000 -7.404 -12.456) 14.491 9.019 ( -0.000 5.585 -14.078) 15.145 9.074 ( 0.000 6.563 -22.738) 23.666 9.203 ( 0.000 4.348 -10.393) 11.266 9.524 ( 0.000 -2.951 -11.865) 12.226 10.558 ( -0.000 10.216 6.929) 12.344 10.734 ( -0.000 3.817 1.007) 3.948 12.365 ( -0.000 4.187 17.356) 17.854 13.059 ( 0.000 -0.833 -0.516) 0.980 13.559 ( -0.000 -7.823 3.015) 8.384 13.611 ( 0.000 -15.120 -5.330) 16.032 13.907 ( -0.000 -3.952 -0.508) 3.985 14.409 ( 0.000 -9.753 -5.925) 11.412 16.367 ( 0.000 5.303 2.863) 6.026 16.381 ( 0.000 6.330 1.284) 6.459 24.195 ( 0.000 0.147 4.353) 4.356 24.436 ( 0.000 -4.138 -0.985) 4.254 25.046 ( -0.000 -8.971 5.010) 10.275 25.244 ( -0.000 -7.788 -1.137) 7.871 25.974 ( -0.000 4.620 6.509) 7.982 26.264 ( -0.000 -1.845 0.766) 1.998 27.557 ( 0.000 8.793 -3.657) 9.523 27.823 ( 0.000 7.583 -11.209) 13.533 ======================= Grid point 417 (165/216) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.288 7.549 9.843) 12.408 2.241 ( -2.077 0.901 4.179) 4.753 2.296 ( 2.362 9.926 5.013) 11.368 2.660 ( 1.133 0.348 -3.133) 3.350 2.779 ( -0.527 1.653 2.841) 3.329 2.939 ( -1.294 2.537 2.132) 3.558 3.244 ( 14.160 -2.140 10.081) 17.513 3.512 ( 2.311 -6.657 4.704) 8.472 3.710 ( -2.981 3.908 14.379) 15.196 3.824 ( 0.066 2.459 -1.769) 3.030 4.246 ( -10.566 11.136 28.449) 32.326 4.672 ( -1.880 -1.241 20.095) 20.221 5.372 ( -0.051 12.590 6.059) 13.973 5.548 ( 2.099 12.547 6.670) 14.364 5.924 ( -2.317 1.582 -3.211) 4.265 6.295 ( 7.593 6.801 -10.145) 14.382 6.388 ( 0.150 5.714 5.845) 8.175 6.638 ( -0.577 -8.641 -7.801) 11.656 7.095 ( 0.481 2.776 -7.121) 7.658 7.541 ( -2.168 -6.224 -9.615) 11.657 8.853 ( 5.186 4.598 -21.802) 22.878 9.032 ( -5.594 2.873 -10.149) 11.939 9.207 ( -0.219 2.947 -13.889) 14.200 9.435 ( -2.230 2.553 -7.566) 8.291 10.642 ( 6.997 8.650 4.003) 11.824 10.781 ( 1.439 5.039 3.626) 6.373 12.533 ( -0.713 3.056 14.327) 14.667 13.035 ( 1.285 -2.053 0.648) 2.507 13.436 ( 0.937 -13.610 -2.086) 13.801 13.570 ( -6.031 -4.593 2.902) 8.118 13.865 ( -0.594 -2.823 -3.595) 4.610 14.291 ( -3.666 -9.848 -7.869) 13.128 16.367 ( 5.827 5.289 1.537) 8.018 16.467 ( -0.529 3.174 2.774) 4.248 24.236 ( -0.977 0.097 3.734) 3.861 24.370 ( 2.731 -3.463 -0.178) 4.413 24.914 ( 6.252 -6.027 -0.031) 8.684 25.317 ( -15.139 -9.093 0.836) 17.679 25.852 ( 18.759 1.189 0.957) 18.821 26.393 ( -9.163 2.702 7.852) 12.365 27.539 ( 7.325 8.363 -5.883) 12.578 27.871 ( -6.506 4.675 -7.617) 11.055 ======================= Grid point 418 (166/216) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.791 2.665 5.986) 6.600 2.171 ( 5.847 -5.226 -2.488) 8.228 2.424 ( -2.030 5.436 6.426) 8.658 2.666 ( -0.831 4.653 -2.221) 5.222 2.852 ( 0.183 4.209 5.829) 7.192 2.950 ( 6.558 -2.067 1.628) 7.066 3.104 ( 8.410 2.616 6.041) 10.680 3.426 ( 3.528 -6.803 5.511) 9.439 3.753 ( 3.219 2.326 -4.357) 5.896 3.978 ( -5.963 3.431 12.808) 14.539 4.652 ( -4.845 9.021 20.877) 23.253 4.846 ( -1.297 1.173 16.782) 16.873 5.455 ( 7.570 6.500 4.632) 11.001 5.595 ( 6.274 5.457 0.313) 8.321 5.923 ( 3.170 -0.365 -7.080) 7.766 6.092 ( 10.801 6.855 -11.254) 17.038 6.478 ( -3.110 0.642 4.938) 5.871 6.587 ( -2.226 -0.414 -1.382) 2.652 7.080 ( -5.967 1.773 -9.152) 11.068 7.574 ( -10.018 -3.725 6.808) 12.672 8.640 ( 7.300 4.579 -20.036) 21.811 9.072 ( -0.403 0.677 -17.722) 17.740 9.100 ( -1.875 0.759 3.335) 3.901 9.517 ( -11.239 4.018 -9.611) 15.325 10.573 ( 12.837 6.556 0.551) 14.424 10.817 ( 4.496 4.257 4.781) 7.823 12.608 ( 3.568 -1.074 5.255) 6.442 13.040 ( -2.336 -0.631 5.555) 6.059 13.323 ( -0.614 -9.743 2.579) 10.098 13.674 ( -6.522 2.100 -1.625) 7.041 13.825 ( -3.007 -4.647 -2.271) 5.983 14.222 ( -6.810 -8.927 -8.226) 13.919 16.315 ( 7.883 4.124 0.690) 8.923 16.492 ( 2.524 1.114 2.692) 3.855 24.260 ( 1.279 -0.221 0.685) 1.468 24.327 ( -0.158 -1.498 3.738) 4.030 24.788 ( 2.281 -4.304 -3.733) 6.137 25.471 ( -5.942 -3.017 0.070) 6.664 25.584 ( 7.509 -5.165 0.149) 9.114 26.620 ( -3.202 4.925 15.052) 16.157 27.431 ( 7.290 7.753 -10.937) 15.260 27.938 ( -4.544 0.712 -4.877) 6.704 ======================= Grid point 419 (167/216) ======================= q-point: ( 0.82 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 7.100 -4.673 -0.385) 8.509 2.042 ( 0.563 -2.167 -0.188) 2.246 2.547 ( -2.753 3.067 5.422) 6.811 2.679 ( 5.752 1.632 -1.664) 6.207 2.763 ( 10.493 1.381 0.045) 10.583 2.914 ( 2.158 3.102 4.662) 6.001 3.120 ( -0.949 2.139 1.370) 2.712 3.370 ( 1.782 -5.466 4.535) 7.323 3.701 ( 3.724 2.931 -1.126) 4.871 4.138 ( -1.221 2.029 6.731) 7.136 4.870 ( 3.128 6.657 13.331) 15.225 4.964 ( 0.270 1.217 9.189) 9.273 5.313 ( 15.508 -1.382 3.187) 15.892 5.494 ( 8.635 1.883 -4.961) 10.135 5.787 ( 3.793 1.994 -6.534) 7.814 5.931 ( 9.351 1.820 -8.171) 12.550 6.529 ( 1.387 -0.624 2.112) 2.603 6.656 ( -3.495 3.863 1.528) 5.429 7.213 ( -17.026 3.272 -6.334) 18.458 7.818 ( -10.179 -3.299 18.658) 21.509 8.414 ( 9.734 3.847 -14.480) 17.867 9.020 ( -10.137 1.671 -16.385) 19.339 9.134 ( 3.032 -0.616 7.332) 7.958 9.681 ( -16.163 1.362 -9.083) 18.590 10.404 ( 15.661 4.450 -0.511) 16.289 10.791 ( 7.176 2.163 3.893) 8.446 12.505 ( 7.283 -3.515 -1.424) 8.211 13.171 ( -5.594 1.605 8.940) 10.668 13.315 ( -2.760 -5.427 6.324) 8.779 13.692 ( -1.734 3.697 -14.567) 15.129 13.906 ( -8.352 -3.529 7.465) 11.745 14.203 ( -8.110 -6.854 -7.565) 13.038 16.215 ( 9.780 2.527 0.038) 10.102 16.454 ( 5.261 -0.143 1.754) 5.547 24.241 ( 1.331 1.232 0.494) 1.879 24.379 ( -2.486 -0.882 5.137) 5.775 24.705 ( -0.607 -3.204 -5.693) 6.561 25.277 ( 15.310 1.632 -1.779) 15.499 25.716 ( -18.244 -8.122 1.429) 20.021 26.761 ( 9.860 4.405 19.169) 22.002 27.343 ( -0.703 9.284 -14.921) 17.587 27.934 ( -0.895 -4.173 -3.074) 5.260 ======================= Grid point 420 (168/216) ======================= q-point: (-0.09 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 8.523 -4.753 -2.195) 10.002 2.047 ( -1.032 -0.865 0.270) 1.373 2.461 ( 14.460 -0.914 -0.894) 14.517 2.640 ( -1.576 0.749 2.919) 3.401 2.727 ( 1.372 2.374 -1.399) 3.078 2.915 ( 4.345 2.667 1.838) 5.419 3.183 ( -4.147 1.106 1.452) 4.531 3.335 ( 1.337 -2.819 2.065) 3.742 3.652 ( 6.718 2.356 -0.052) 7.120 4.166 ( 1.568 0.529 1.254) 2.076 4.844 ( 14.978 1.968 4.590) 15.789 5.039 ( -1.164 0.726 4.377) 4.587 5.137 ( 9.281 -0.531 8.422) 12.544 5.303 ( 10.355 0.491 -8.657) 13.506 5.695 ( 10.035 0.767 -4.701) 11.108 5.754 ( 2.691 -1.231 -4.211) 5.147 6.471 ( 5.637 -1.351 0.889) 5.864 6.742 ( -2.270 3.264 0.589) 4.019 7.537 ( -23.204 4.338 -1.777) 23.673 7.987 ( 6.619 1.314 11.718) 13.522 8.248 ( -2.177 -3.154 -6.776) 7.785 9.124 ( 1.853 0.152 4.223) 4.614 9.168 ( -16.805 1.307 -6.776) 18.167 9.882 ( -16.154 -0.222 -4.277) 16.712 10.191 ( 15.742 2.254 -0.243) 15.904 10.710 ( 7.875 0.530 2.257) 8.210 12.341 ( 8.426 -2.164 -2.071) 8.943 13.343 ( -6.480 1.652 6.795) 9.534 13.390 ( -3.377 -2.256 9.365) 10.208 13.631 ( -3.158 1.706 -16.125) 16.520 14.061 ( -6.784 -0.626 6.726) 9.573 14.220 ( -7.811 -4.160 -6.331) 10.882 16.070 ( 11.329 0.953 -0.191) 11.371 16.364 ( 7.133 -0.497 0.541) 7.171 24.252 ( -0.245 1.583 0.431) 1.659 24.447 ( -1.297 -0.109 4.299) 4.492 24.665 ( -3.049 -2.157 -4.018) 5.485 25.093 ( 7.786 0.730 -2.056) 8.085 25.930 ( -15.365 -4.342 1.261) 16.016 26.676 ( 17.190 1.754 9.148) 19.551 27.429 ( -6.678 12.750 -6.716) 15.883 27.838 ( 2.889 -9.579 -1.489) 10.115 ======================= Grid point 428 (169/216) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -0.000 8.689 11.225) 14.195 2.214 ( 0.000 5.321 -3.518) 6.378 2.245 ( 0.000 13.743 11.129) 17.685 2.613 ( 0.000 8.560 -5.087) 9.957 2.790 ( 0.000 -1.578 1.446) 2.141 2.903 ( -0.000 -0.583 -1.700) 1.797 3.518 ( -0.000 -2.053 8.119) 8.375 3.554 ( -0.000 -3.670 10.061) 10.709 3.737 ( -0.000 0.752 -3.923) 3.995 3.818 ( -0.000 -1.274 2.667) 2.955 4.315 ( 0.000 10.504 37.957) 39.383 4.819 ( 0.000 -0.424 17.462) 17.467 5.329 ( 0.000 10.566 12.997) 16.750 5.516 ( 0.000 13.545 12.456) 18.402 5.850 ( -0.000 1.932 -6.880) 7.146 6.171 ( 0.000 10.526 -12.050) 16.001 6.403 ( 0.000 6.017 7.649) 9.732 6.644 ( 0.000 -6.617 -9.110) 11.259 7.027 ( -0.000 2.566 -5.790) 6.333 7.464 ( -0.000 -5.093 -17.833) 18.546 8.742 ( 0.000 2.814 -17.047) 17.278 8.762 ( 0.000 4.398 -16.823) 17.389 9.139 ( 0.000 5.086 -1.335) 5.258 9.340 ( 0.000 0.451 -11.213) 11.222 10.649 ( 0.000 10.871 4.978) 11.956 10.745 ( -0.000 6.855 0.304) 6.862 12.644 ( -0.000 -0.456 18.544) 18.550 13.071 ( 0.000 -1.624 1.695) 2.347 13.505 ( 0.000 -8.997 -8.225) 12.190 13.533 ( 0.000 1.459 -5.629) 5.815 13.960 ( -0.000 -15.001 6.741) 16.446 14.311 ( 0.000 -13.373 -6.793) 14.999 16.399 ( 0.000 7.224 1.040) 7.298 16.401 ( 0.000 5.844 1.584) 6.055 24.264 ( 0.000 -0.684 4.472) 4.524 24.415 ( -0.000 -3.427 -1.761) 3.853 25.112 ( -0.000 -9.788 3.672) 10.454 25.224 ( -0.000 -8.483 -1.560) 8.625 26.077 ( -0.000 2.680 6.679) 7.196 26.265 ( -0.000 -1.402 -0.710) 1.572 27.512 ( 0.000 9.492 -1.902) 9.680 27.668 ( -0.000 9.287 -8.810) 12.801 ======================= Grid point 429 (170/216) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 1.825 5.259 7.574) 9.399 2.226 ( -0.209 1.123 -2.907) 3.124 2.412 ( 0.977 6.597 7.278) 9.872 2.601 ( 0.730 2.658 -4.452) 5.237 2.818 ( -0.267 6.806 2.215) 7.162 2.949 ( -3.644 1.449 -0.334) 3.936 3.389 ( 16.717 -1.134 8.313) 18.704 3.566 ( 2.884 -5.499 2.533) 6.706 3.721 ( 0.591 1.815 -4.898) 5.256 3.925 ( -9.368 1.549 6.996) 11.794 4.694 ( -2.005 9.630 27.701) 29.396 4.949 ( 0.802 2.830 13.403) 13.722 5.502 ( 1.310 7.926 10.020) 12.842 5.659 ( 7.177 7.719 6.445) 12.354 5.858 ( -2.075 4.381 -5.534) 7.357 6.090 ( 8.646 8.186 -12.732) 17.432 6.475 ( -0.362 1.782 3.820) 4.231 6.555 ( -2.004 -4.041 -3.443) 5.674 6.958 ( 1.058 -1.209 -9.774) 9.906 7.434 ( -14.423 -0.249 -3.733) 14.901 8.508 ( 6.163 1.426 -19.989) 20.966 8.925 ( -16.797 2.802 -3.968) 17.486 9.064 ( 10.322 4.918 -5.429) 12.657 9.327 ( -3.284 2.872 -5.915) 7.350 10.683 ( 9.664 8.834 1.603) 13.191 10.832 ( 0.429 7.283 2.596) 7.744 12.741 ( 2.812 -2.799 11.835) 12.483 13.058 ( -1.671 -3.348 1.762) 4.136 13.396 ( 0.283 -4.995 -2.232) 5.478 13.542 ( -2.975 3.954 -5.663) 7.521 13.884 ( -1.628 -13.132 5.336) 14.268 14.167 ( -4.900 -12.778 -8.073) 15.889 16.384 ( 6.266 5.462 0.704) 8.342 16.499 ( -1.044 3.690 1.388) 4.079 24.287 ( 0.350 -0.788 2.683) 2.818 24.366 ( 0.657 -2.458 -0.416) 2.578 24.911 ( 9.028 -7.128 -0.287) 11.506 25.327 ( -16.032 -9.172 0.458) 18.476 25.865 ( 21.082 0.007 0.682) 21.093 26.499 ( -16.419 3.166 5.444) 17.586 27.456 ( 11.821 8.180 -4.496) 15.062 27.779 ( -7.461 6.206 -4.102) 10.536 ======================= Grid point 430 (171/216) ======================= q-point: ( 0.82 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 1.519 0.953 3.717) 4.127 2.130 ( 7.135 -4.879 -2.493) 8.996 2.509 ( -3.741 2.295 4.216) 6.086 2.622 ( 0.218 7.305 -2.963) 7.886 2.912 ( 0.979 8.410 2.060) 8.714 2.963 ( 3.374 -4.094 0.263) 5.311 3.175 ( 13.234 1.620 2.713) 13.606 3.487 ( 3.078 -5.660 2.237) 6.820 3.694 ( 1.086 2.583 -2.557) 3.793 4.120 ( -5.701 2.379 4.901) 7.885 4.942 ( 1.462 7.350 14.591) 16.403 5.031 ( 2.924 4.732 5.496) 7.820 5.539 ( 10.141 2.161 4.713) 11.390 5.578 ( 10.740 3.864 -2.395) 11.663 5.773 ( 3.478 1.296 -8.188) 8.990 5.987 ( 8.800 7.380 -3.067) 11.888 6.534 ( -2.956 0.131 2.350) 3.778 6.567 ( -3.598 1.532 -1.509) 4.192 6.944 ( -10.684 -2.125 -5.907) 12.392 7.773 ( -18.087 3.160 15.731) 24.179 8.300 ( 0.604 -1.046 -20.736) 20.771 8.884 ( 8.893 5.256 -5.843) 11.868 9.205 ( -7.153 1.116 9.098) 11.627 9.360 ( -9.910 2.148 -10.620) 14.683 10.578 ( 14.272 7.101 0.147) 15.942 10.870 ( 4.510 5.076 1.849) 7.038 12.662 ( 7.484 -5.576 1.744) 9.494 13.130 ( -6.876 -2.445 4.344) 8.493 13.376 ( -0.515 -1.243 4.667) 4.857 13.552 ( 0.139 3.490 -9.351) 9.982 13.886 ( -6.721 -7.753 5.343) 11.569 14.104 ( -8.406 -11.086 -6.092) 15.188 16.322 ( 8.178 4.043 0.176) 9.124 16.520 ( 2.448 1.354 0.911) 2.942 24.265 ( 2.276 -0.097 0.113) 2.281 24.374 ( -2.398 -0.878 1.842) 3.149 24.744 ( 4.350 -5.548 -1.650) 7.241 25.470 ( -0.776 -1.136 -0.097) 1.379 25.588 ( 2.764 -7.310 0.211) 7.818 26.822 ( -12.659 5.982 9.420) 16.875 27.272 ( 14.773 6.266 -8.050) 17.953 27.887 ( -4.270 1.840 -1.693) 4.948 ======================= Grid point 431 (172/216) ======================= q-point: (-0.09 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 9.503 -6.809 -0.000) 11.691 2.041 ( -0.803 -0.960 0.000) 1.251 2.607 ( -3.787 1.120 0.000) 3.949 2.649 ( 4.634 4.884 -0.000) 6.732 2.761 ( 13.161 -0.730 -0.000) 13.181 2.950 ( 3.928 5.875 0.000) 7.067 3.130 ( -1.896 -0.045 0.000) 1.897 3.406 ( 2.108 -5.032 -0.000) 5.455 3.691 ( 2.663 3.640 0.000) 4.510 4.190 ( 0.543 1.173 0.000) 1.292 5.015 ( 8.298 4.664 -0.000) 9.519 5.021 ( 0.920 3.377 0.000) 3.501 5.368 ( 12.456 -1.101 -0.000) 12.505 5.411 ( 12.133 3.035 -0.000) 12.507 5.745 ( 0.121 0.522 0.000) 0.536 5.854 ( 11.777 1.732 -0.000) 11.903 6.546 ( 1.626 -1.281 -0.000) 2.070 6.667 ( -3.637 4.928 0.000) 6.125 7.155 ( -20.366 1.368 0.000) 20.412 8.108 ( -0.491 7.274 0.000) 7.291 8.170 ( -4.858 -6.690 -0.000) 8.268 8.880 ( -8.401 4.265 0.000) 9.422 9.211 ( 5.592 0.221 -0.000) 5.597 9.594 ( -19.399 -0.155 0.000) 19.399 10.400 ( 16.148 4.867 -0.000) 16.866 10.821 ( 7.149 2.438 -0.000) 7.553 12.494 ( 8.426 -4.488 -0.000) 9.546 13.244 ( -8.315 -1.934 0.000) 8.537 13.458 ( -3.470 1.987 0.000) 3.998 13.481 ( 1.810 0.018 -0.000) 1.810 13.989 ( -7.830 -1.495 0.000) 7.971 14.120 ( -9.160 -8.737 0.000) 12.658 16.215 ( 9.922 2.455 -0.000) 10.221 16.467 ( 5.478 -0.091 -0.000) 5.479 24.244 ( 1.227 1.526 0.000) 1.958 24.426 ( -3.351 0.020 0.000) 3.351 24.654 ( 0.264 -4.502 -0.000) 4.509 25.263 ( 15.932 1.664 -0.000) 16.018 25.727 ( -18.530 -8.187 0.000) 20.258 26.990 ( 20.261 3.723 -0.000) 20.600 27.147 ( -12.002 9.534 0.000) 15.328 27.910 ( -0.591 -3.530 -0.000) 3.579 ======================= Grid point 440 (173/216) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -0.000 6.793 9.167) 11.410 2.135 ( 0.000 5.463 -6.583) 8.555 2.398 ( 0.000 12.476 8.921) 15.337 2.520 ( 0.000 10.333 -7.012) 12.488 2.824 ( 0.000 -0.635 2.802) 2.873 2.868 ( -0.000 -0.136 -2.714) 2.717 3.613 ( -0.000 -0.704 4.818) 4.869 3.677 ( 0.000 -0.003 -3.837) 3.837 3.693 ( -0.000 -2.036 8.153) 8.404 3.796 ( -0.000 -1.707 -4.750) 5.047 4.813 ( 0.000 7.152 24.061) 25.101 4.987 ( -0.000 3.998 1.579) 4.298 5.532 ( 0.000 5.994 12.978) 14.295 5.717 ( -0.000 4.138 -10.587) 11.367 5.752 ( 0.000 10.946 16.490) 19.792 5.978 ( 0.000 9.126 -13.321) 16.147 6.484 ( -0.000 2.284 3.351) 4.055 6.537 ( 0.000 -1.875 -4.738) 5.095 6.990 ( -0.000 0.203 3.574) 3.580 7.170 ( -0.000 -2.246 -18.275) 18.412 8.566 ( 0.000 3.945 -5.184) 6.515 8.580 ( 0.000 3.832 -6.638) 7.665 9.141 ( 0.000 2.888 1.739) 3.371 9.202 ( 0.000 1.865 -6.512) 6.774 10.710 ( 0.000 10.539 2.910) 10.933 10.740 ( -0.000 9.180 -1.088) 9.244 12.912 ( -0.000 -4.778 15.475) 16.196 13.072 ( 0.000 -5.254 -4.022) 6.617 13.397 ( -0.000 0.241 -3.464) 3.472 13.431 ( 0.000 4.279 -6.268) 7.589 14.080 ( -0.000 -17.946 8.213) 19.737 14.201 ( 0.000 -16.606 -7.567) 18.249 16.412 ( 0.000 7.073 0.604) 7.098 16.415 ( 0.000 6.479 0.275) 6.485 24.328 ( 0.000 -1.601 3.880) 4.197 24.380 ( -0.000 -2.543 -2.846) 3.817 25.161 ( -0.000 -9.696 2.679) 10.060 25.196 ( -0.000 -9.174 -2.034) 9.397 26.171 ( -0.000 0.863 5.408) 5.476 26.237 ( -0.000 -0.539 -3.087) 3.134 27.506 ( 0.000 9.976 1.428) 10.078 27.558 ( -0.000 9.970 -5.339) 11.310 ======================= Grid point 441 (174/216) ======================= q-point: ( 0.82 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 3.585 3.799 -0.000) 5.224 2.191 ( -1.459 2.461 0.000) 2.861 2.494 ( 0.906 -0.739 -0.000) 1.169 2.540 ( 0.768 8.933 0.000) 8.966 2.838 ( 1.018 9.795 0.000) 9.847 2.943 ( -5.626 -0.537 0.000) 5.651 3.465 ( 19.782 -0.232 -0.000) 19.783 3.591 ( 2.978 -4.552 -0.000) 5.439 3.666 ( -0.773 0.682 0.000) 1.031 3.976 ( -12.388 2.339 0.000) 12.607 4.986 ( 1.875 6.405 0.000) 6.674 5.011 ( 0.606 6.719 0.000) 6.746 5.648 ( 3.945 4.894 0.000) 6.286 5.663 ( 3.256 4.576 0.000) 5.616 5.788 ( 10.693 4.494 -0.000) 11.599 5.990 ( 3.175 10.544 0.000) 11.012 6.505 ( -1.737 0.851 0.000) 1.934 6.526 ( -1.173 -2.302 -0.000) 2.584 6.867 ( 1.756 -3.689 -0.000) 4.085 7.413 ( -26.543 3.592 0.000) 26.785 8.337 ( 11.948 0.107 -0.000) 11.949 8.898 ( -19.530 2.377 0.000) 19.674 9.025 ( 10.669 6.336 -0.000) 12.409 9.277 ( -2.451 2.320 0.000) 3.375 10.695 ( 10.522 8.961 -0.000) 13.821 10.853 ( 0.048 7.982 0.000) 7.982 12.846 ( 7.461 -6.773 -0.000) 10.077 13.071 ( -7.331 -4.777 0.000) 8.750 13.385 ( 1.798 2.902 0.000) 3.413 13.475 ( -2.280 3.819 0.000) 4.448 13.956 ( -0.174 -14.129 -0.000) 14.130 14.079 ( -7.270 -15.168 -0.000) 16.820 16.389 ( 6.407 5.470 -0.000) 8.424 16.509 ( -1.217 3.871 0.000) 4.057 24.310 ( 2.265 -1.571 -0.000) 2.757 24.360 ( -1.602 -1.606 0.000) 2.268 24.909 ( 10.043 -7.511 -0.000) 12.541 25.331 ( -16.296 -9.187 0.000) 18.707 25.871 ( 21.870 -0.411 -0.000) 21.874 26.544 ( -19.846 3.290 0.000) 20.116 27.419 ( 14.371 8.127 -0.000) 16.510 27.748 ( -7.865 6.723 0.000) 10.347 ======================= Grid point 460 (175/216) ======================= q-point: ( 0.36 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 8.860 0.000 7.162) 11.393 2.110 ( -7.159 0.000 0.591) 7.183 2.296 ( 3.782 -0.000 -8.675) 9.463 2.433 ( -11.375 0.000 -10.935) 15.779 2.611 ( 7.030 0.000 6.650) 9.677 2.853 ( -5.765 0.000 4.148) 7.102 2.978 ( -2.444 -0.000 -2.679) 3.626 3.178 ( -1.601 0.000 1.546) 2.226 3.626 ( -3.454 0.000 0.428) 3.480 3.861 ( 2.195 0.000 -8.124) 8.416 4.531 ( 3.599 -0.000 2.996) 4.683 4.833 ( -15.112 -0.000 -8.474) 17.326 5.131 ( 16.068 0.000 19.333) 25.139 5.528 ( 6.137 0.000 8.697) 10.644 5.756 ( 0.415 -0.000 -4.319) 4.339 6.195 ( 6.086 0.000 7.699) 9.814 6.263 ( 6.780 -0.000 -20.996) 22.064 6.375 ( 5.772 -0.000 -0.795) 5.826 7.360 ( -6.558 0.000 -5.057) 8.282 7.550 ( -7.332 -0.000 -11.541) 13.673 8.679 ( 7.835 -0.000 16.076) 17.884 9.131 ( -3.466 -0.000 5.024) 6.104 9.532 ( 7.994 -0.000 1.577) 8.149 9.826 ( 11.517 0.000 -16.342) 19.993 10.189 ( 13.065 0.000 7.129) 14.884 10.440 ( 2.682 -0.000 -2.406) 3.604 12.799 ( -3.650 -0.000 9.412) 10.096 13.039 ( 0.768 0.000 7.629) 7.667 13.117 ( -7.697 0.000 -8.939) 11.796 13.663 ( -3.329 -0.000 -11.643) 12.109 14.488 ( -7.127 0.000 8.348) 10.976 14.595 ( -6.795 0.000 2.517) 7.247 15.991 ( 7.169 -0.000 3.434) 7.950 16.186 ( 2.556 -0.000 -3.637) 4.445 24.176 ( -1.892 0.000 -2.186) 2.891 24.189 ( -3.570 -0.000 -3.380) 4.916 24.886 ( 8.028 -0.000 7.430) 10.938 25.372 ( 11.754 -0.000 -13.667) 18.027 25.652 ( -12.198 0.000 12.692) 17.604 26.145 ( -15.464 0.000 -8.348) 17.574 27.813 ( 9.976 -0.000 4.101) 10.786 27.927 ( 4.740 0.000 0.727) 4.796 ======================= Grid point 472 (176/216) ======================= q-point: ( 0.36 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -8.625 2.451 -1.655) 9.118 2.111 ( -3.171 -2.242 -0.615) 3.932 2.213 ( -1.305 -0.999 -4.299) 4.602 2.346 ( 7.743 -0.560 -6.458) 10.098 2.743 ( 1.356 2.674 5.613) 6.364 2.789 ( -5.365 -1.307 6.873) 8.816 2.951 ( 2.676 2.641 -4.728) 6.041 3.067 ( -8.469 -1.937 -6.647) 10.939 3.636 ( 2.333 0.311 2.140) 3.181 3.794 ( -1.939 1.877 -6.777) 7.294 4.490 ( -8.356 3.578 -1.489) 9.211 4.573 ( -13.242 -1.868 -4.731) 14.185 5.484 ( 11.145 3.345 13.233) 17.621 5.660 ( 5.538 7.716 5.553) 11.002 5.762 ( 5.194 -2.576 -1.273) 5.936 6.236 ( 11.149 2.049 -7.815) 13.768 6.333 ( 1.970 -2.709 -2.908) 4.435 6.438 ( 1.530 -4.783 -0.161) 5.024 7.210 ( -2.133 5.674 -2.329) 6.494 7.435 ( -2.357 -8.392 -8.161) 11.941 8.943 ( 9.427 -0.832 14.114) 16.993 9.134 ( -0.110 -0.360 3.859) 3.878 9.609 ( 9.882 13.109 -1.261) 16.465 9.967 ( 9.381 -12.200 -6.219) 16.599 10.363 ( 7.957 6.936 3.310) 11.062 10.508 ( 4.380 -4.443 0.938) 6.309 12.720 ( -6.520 8.934 1.584) 11.173 12.974 ( -5.475 -6.443 -6.040) 10.391 13.147 ( -0.135 -2.873 12.245) 12.578 13.528 ( -3.976 -1.519 -10.742) 11.554 14.396 ( -5.773 7.029 4.653) 10.217 14.550 ( -6.701 -6.482 2.324) 9.608 16.104 ( 6.617 2.123 1.242) 7.060 16.208 ( 3.136 -1.117 -3.409) 4.765 24.132 ( -0.342 -0.335 -1.530) 1.603 24.150 ( -1.062 -1.197 -2.184) 2.707 25.083 ( 8.287 0.865 9.212) 12.421 25.419 ( 7.167 1.774 -10.513) 12.847 25.588 ( -7.478 -2.989 8.179) 11.478 25.880 ( -10.598 -1.516 -9.200) 14.116 27.849 ( 6.304 14.630 2.511) 16.127 28.098 ( 3.171 -11.680 2.253) 12.311 ======================= Grid point 473 (177/216) ======================= q-point: ( 0.45 0.73 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 8.324 0.000 5.648) 10.059 2.123 ( -2.232 -0.000 0.093) 2.234 2.201 ( -3.267 -0.000 -2.099) 3.883 2.271 ( -13.843 0.000 -9.094) 16.563 2.716 ( 6.496 -0.000 6.690) 9.324 2.813 ( 5.220 0.000 -5.884) 7.866 3.056 ( -12.418 -0.000 8.383) 14.982 3.161 ( -8.919 0.000 -4.325) 9.912 3.655 ( -0.910 0.000 3.862) 3.967 3.742 ( 1.764 0.000 -7.104) 7.320 4.602 ( -2.929 -0.000 5.982) 6.660 4.708 ( -10.054 -0.000 -7.722) 12.677 5.438 ( 12.388 0.000 19.166) 22.821 5.657 ( 3.147 -0.000 -9.258) 9.778 5.679 ( 5.963 0.000 11.856) 13.271 5.931 ( 9.631 -0.000 -20.793) 22.915 6.290 ( 5.617 0.000 4.931) 7.474 6.349 ( 5.639 -0.000 -2.798) 6.295 7.327 ( -7.802 0.000 1.147) 7.886 7.397 ( -7.541 -0.000 -7.758) 10.819 8.944 ( 6.072 -0.000 17.272) 18.308 9.142 ( -0.548 -0.000 -6.003) 6.028 9.550 ( 10.212 -0.000 1.174) 10.279 9.613 ( 13.966 0.000 -9.154) 16.699 10.294 ( 10.788 0.000 6.511) 12.601 10.383 ( 6.879 -0.000 -4.912) 8.453 12.894 ( -6.505 -0.000 5.186) 8.319 12.989 ( -7.233 0.000 -7.460) 10.391 13.235 ( 0.670 0.000 15.399) 15.414 13.466 ( -1.403 -0.000 -14.209) 14.278 14.582 ( -7.189 -0.000 3.978) 8.216 14.613 ( -7.037 0.000 -0.264) 7.042 16.052 ( 4.787 -0.000 4.381) 6.490 16.121 ( 3.073 0.000 -4.571) 5.508 24.152 ( -2.455 0.000 -0.870) 2.604 24.153 ( -3.129 -0.000 -1.184) 3.346 25.016 ( 9.127 0.000 9.583) 13.234 25.178 ( 10.361 -0.000 -11.657) 15.596 25.839 ( -13.768 0.000 11.638) 18.028 26.005 ( -14.913 0.000 -10.014) 17.963 27.873 ( 9.090 -0.000 3.533) 9.752 27.916 ( 7.349 0.000 -1.956) 7.605 ======================= Grid point 484 (178/216) ======================= q-point: ( 0.36 -0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -7.034 6.254 -2.583) 9.760 1.946 ( -9.841 -1.938 -5.570) 11.473 2.309 ( 2.530 -0.917 5.553) 6.171 2.408 ( 6.146 0.048 -5.245) 8.080 2.659 ( -6.000 0.813 3.462) 6.974 2.785 ( -11.193 1.697 -6.981) 13.300 2.887 ( 3.653 -0.333 4.393) 5.723 3.042 ( 4.712 -2.719 -4.225) 6.888 3.655 ( 0.841 4.188 -1.497) 4.526 3.681 ( -4.058 5.367 -1.941) 7.003 4.278 ( -11.610 1.342 -1.030) 11.733 4.355 ( -14.070 -0.716 -2.772) 14.358 5.595 ( 2.015 4.291 4.251) 6.368 5.631 ( 1.435 10.258 -0.157) 10.359 5.859 ( 10.625 11.792 -0.941) 15.901 6.192 ( -7.818 5.432 -1.593) 9.652 6.512 ( -0.457 -12.130 0.888) 12.171 6.525 ( 13.817 -9.816 -0.531) 16.957 7.199 ( 5.879 3.764 0.476) 6.997 7.519 ( 7.103 -10.470 -2.018) 12.811 9.163 ( 8.515 -0.285 5.275) 10.021 9.214 ( 5.627 -2.448 3.777) 7.205 9.604 ( 9.781 16.474 -1.646) 19.229 10.158 ( 3.323 -9.370 2.062) 10.153 10.379 ( 2.751 8.255 -1.146) 8.776 10.613 ( 2.285 -3.876 0.906) 4.590 12.502 ( -6.967 13.659 -1.119) 15.374 12.986 ( -0.346 -11.440 -2.091) 11.635 13.247 ( -2.687 -3.711 9.897) 10.906 13.414 ( -4.410 -4.258 -8.482) 10.465 14.280 ( -4.390 6.456 1.981) 8.055 14.531 ( -5.634 -6.485 1.341) 8.695 16.178 ( 6.098 2.850 -0.276) 6.736 16.243 ( 3.038 -0.248 -1.803) 3.542 24.122 ( -0.691 -0.160 -0.971) 1.202 24.171 ( 3.209 -2.893 -0.620) 4.364 25.145 ( -6.051 3.792 4.562) 8.474 25.447 ( -2.035 -7.931 -3.718) 8.992 25.613 ( 3.402 0.423 8.320) 8.999 25.761 ( 5.869 1.406 -10.848) 12.414 27.819 ( 4.686 12.782 1.425) 13.689 28.226 ( -0.524 -8.169 1.643) 8.349 ======================= Grid point 485 (179/216) ======================= q-point: ( 0.45 -0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -9.621 5.409 0.000) 11.038 2.052 ( -11.874 -5.436 0.000) 13.059 2.253 ( 8.349 -0.081 -0.000) 8.349 2.265 ( 6.661 -1.570 -0.000) 6.844 2.824 ( -3.714 3.453 0.000) 5.071 2.831 ( 6.237 4.595 -0.000) 7.746 2.948 ( -2.914 -1.872 0.000) 3.463 2.958 ( -13.213 -4.185 0.000) 13.860 3.679 ( 0.928 3.376 0.000) 3.501 3.716 ( -0.487 -0.783 -0.000) 0.922 4.481 ( -11.468 3.673 0.000) 12.042 4.535 ( -11.654 -1.843 0.000) 11.799 5.616 ( 2.829 2.853 -0.000) 4.017 5.653 ( 1.458 -0.455 -0.000) 1.527 5.811 ( 13.669 17.679 0.000) 22.347 6.118 ( 17.895 -13.076 -0.000) 22.164 6.327 ( -2.684 3.506 0.000) 4.416 6.439 ( 2.626 -7.660 -0.000) 8.098 7.198 ( -0.649 7.041 0.000) 7.071 7.363 ( -1.285 -10.170 -0.000) 10.251 9.101 ( 3.690 0.360 -0.000) 3.708 9.130 ( 3.475 -2.834 -0.000) 4.484 9.587 ( 12.582 18.520 0.000) 22.390 9.916 ( 11.171 -16.348 -0.000) 19.800 10.390 ( 6.445 8.062 0.000) 10.322 10.516 ( 5.749 -5.492 -0.000) 7.951 12.733 ( -7.931 11.490 0.000) 13.961 12.921 ( -4.757 -9.036 -0.000) 10.212 13.331 ( -1.693 -0.409 0.000) 1.741 13.361 ( -1.998 -3.718 -0.000) 4.221 14.431 ( -5.885 7.668 0.000) 9.666 14.569 ( -6.736 -7.017 0.000) 9.727 16.119 ( 5.405 3.508 -0.000) 6.444 16.174 ( 3.423 -2.426 -0.000) 4.195 24.123 ( 0.449 -0.458 -0.000) 0.641 24.130 ( -1.657 -1.180 0.000) 2.034 25.213 ( 6.507 3.575 -0.000) 7.424 25.272 ( 11.448 -2.296 -0.000) 11.676 25.711 ( -8.752 1.182 0.000) 8.831 25.758 ( -12.420 -4.296 0.000) 13.142 27.868 ( 6.393 14.664 0.000) 15.997 28.115 ( 3.817 -11.730 -0.000) 12.336 ======================= Grid point 495 (180/216) ======================= q-point: ( 0.36 -0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -9.374 12.171 0.000) 15.362 1.769 ( -10.619 4.447 0.000) 11.513 2.321 ( -3.213 -1.159 0.000) 3.416 2.475 ( 5.391 3.764 -0.000) 6.575 2.569 ( -12.096 -6.423 0.000) 13.696 2.664 ( 2.265 -2.699 -0.000) 3.524 2.955 ( 4.412 2.302 -0.000) 4.976 3.135 ( 5.440 -3.661 -0.000) 6.557 3.493 ( -7.061 15.862 0.000) 17.363 3.586 ( -1.226 7.185 0.000) 7.289 4.130 ( -13.294 0.319 0.000) 13.297 4.167 ( -6.543 -6.789 0.000) 9.428 5.525 ( 0.446 15.056 0.000) 15.062 5.565 ( -0.139 8.739 0.000) 8.740 5.874 ( 8.542 13.996 0.000) 16.397 6.036 ( -6.831 0.333 0.000) 6.839 6.534 ( -8.941 -14.929 -0.000) 17.402 6.853 ( 14.086 -6.398 -0.000) 15.471 7.268 ( 5.320 2.375 -0.000) 5.826 7.775 ( 12.567 -10.983 -0.000) 16.690 9.298 ( 8.559 4.667 -0.000) 9.749 9.361 ( 7.192 -2.725 -0.000) 7.691 9.596 ( 8.731 12.444 0.000) 15.201 10.261 ( -0.632 -4.769 -0.000) 4.811 10.270 ( -3.572 10.166 0.000) 10.776 10.661 ( -0.352 -3.458 -0.000) 3.476 12.274 ( -4.537 14.880 0.000) 15.557 13.120 ( 3.462 -12.158 -0.000) 12.642 13.246 ( -5.520 -1.857 0.000) 5.824 13.389 ( -3.382 -11.015 -0.000) 11.522 14.176 ( -3.131 5.545 0.000) 6.368 14.521 ( -4.062 -6.126 -0.000) 7.350 16.240 ( 5.443 2.307 -0.000) 5.912 16.271 ( 2.401 1.475 -0.000) 2.818 24.108 ( -0.164 1.007 0.000) 1.021 24.269 ( 4.712 -4.810 -0.000) 6.733 24.998 ( -9.110 2.344 0.000) 9.407 25.375 ( -13.330 -10.210 0.000) 16.791 25.788 ( 8.266 4.146 -0.000) 9.247 25.854 ( 17.415 1.526 -0.000) 17.482 27.778 ( 3.443 10.507 0.000) 11.057 28.261 ( -3.649 -5.262 -0.000) 6.403 ======================= Grid point 506 (181/216) ======================= q-point: ( 0.36 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 17.191 -0.000) 17.191 1.563 ( 0.000 15.052 -0.000) 15.052 2.268 ( -0.000 -0.742 0.000) 0.742 2.324 ( -0.000 -7.837 0.000) 7.837 2.608 ( -0.000 -0.464 0.000) 0.464 2.724 ( -0.000 -7.224 0.000) 7.224 3.026 ( 0.000 1.111 -0.000) 1.111 3.226 ( -0.000 -7.555 0.000) 7.555 3.380 ( 0.000 21.518 -0.000) 21.518 3.582 ( 0.000 13.937 -0.000) 13.937 3.881 ( -0.000 -1.728 0.000) 1.728 4.051 ( -0.000 -9.004 0.000) 9.004 5.522 ( 0.000 13.894 -0.000) 13.894 5.566 ( 0.000 13.410 -0.000) 13.410 5.920 ( -0.000 -5.042 0.000) 5.042 6.057 ( 0.000 19.621 -0.000) 19.621 6.330 ( -0.000 -16.439 0.000) 16.439 7.070 ( -0.000 -8.705 0.000) 8.705 7.360 ( 0.000 7.757 -0.000) 7.757 8.020 ( -0.000 -13.454 0.000) 13.454 9.456 ( 0.000 13.578 -0.000) 13.578 9.511 ( 0.000 0.232 -0.000) 0.232 9.777 ( 0.000 1.870 -0.000) 1.870 10.130 ( 0.000 12.796 -0.000) 12.796 10.236 ( -0.000 -3.679 0.000) 3.679 10.631 ( -0.000 -4.890 0.000) 4.890 12.225 ( 0.000 16.022 -0.000) 16.022 13.131 ( -0.000 -0.553 0.000) 0.553 13.225 ( -0.000 -4.893 0.000) 4.893 13.292 ( -0.000 -21.606 0.000) 21.606 14.125 ( 0.000 5.520 -0.000) 5.520 14.457 ( -0.000 -6.006 0.000) 6.006 16.313 ( 0.000 2.019 -0.000) 2.019 16.328 ( 0.000 0.113 -0.000) 0.113 24.116 ( 0.000 2.730 -0.000) 2.730 24.363 ( -0.000 -5.495 0.000) 5.495 24.837 ( 0.000 1.417 -0.000) 1.417 25.133 ( -0.000 -7.735 0.000) 7.735 25.938 ( 0.000 6.746 -0.000) 6.746 26.184 ( -0.000 -2.469 0.000) 2.469 27.823 ( 0.000 8.008 -0.000) 8.008 28.170 ( -0.000 -3.639 0.000) 3.639 ======================= Grid point 507 (182/216) ======================= q-point: ( 0.45 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -3.985 13.497 8.019) 16.197 1.735 ( -4.518 8.158 4.244) 10.246 2.260 ( -1.525 -3.104 -0.670) 3.523 2.368 ( -9.616 -5.061 9.709) 14.573 2.571 ( 3.568 -0.574 0.816) 3.705 2.653 ( 1.013 -4.896 -0.179) 5.003 3.023 ( 3.087 1.418 -0.411) 3.422 3.159 ( 1.485 -5.068 2.915) 6.032 3.567 ( -1.372 13.693 -1.647) 13.860 3.683 ( 0.481 9.145 4.566) 10.233 3.945 ( -8.420 -1.098 -1.566) 8.634 4.033 ( -5.448 -5.043 4.685) 8.779 5.621 ( 0.186 9.462 -2.294) 9.738 5.678 ( 1.938 10.212 2.506) 10.692 5.928 ( -6.067 -1.349 -0.134) 6.217 6.148 ( 5.162 6.985 1.792) 8.868 6.303 ( -5.560 -1.175 1.997) 6.024 6.911 ( 6.598 -12.590 -1.985) 14.352 7.396 ( 4.696 8.455 -1.685) 9.817 7.812 ( 7.593 -12.416 -4.512) 15.237 9.457 ( 8.223 0.793 -1.883) 8.473 9.461 ( 7.578 1.135 -1.027) 7.731 9.785 ( 2.495 11.961 -4.662) 13.078 10.119 ( -3.820 -1.005 -15.128) 15.636 10.361 ( -2.270 5.698 12.085) 13.552 10.606 ( -1.641 -5.240 2.217) 5.922 12.387 ( -0.837 16.619 1.269) 16.689 13.051 ( 3.771 -17.363 0.776) 17.785 13.143 ( -2.733 -1.031 -3.998) 4.951 13.249 ( -5.736 -6.043 3.006) 8.857 14.184 ( -1.751 5.751 -1.676) 6.241 14.411 ( -2.107 -6.273 -1.564) 6.799 16.315 ( 2.463 0.891 1.239) 2.897 16.322 ( 1.672 0.719 1.848) 2.594 24.138 ( 1.006 2.804 0.762) 3.074 24.286 ( 3.234 -5.011 0.145) 5.965 24.903 ( -5.652 3.013 -0.512) 6.425 25.128 ( -8.286 -7.904 0.406) 11.458 25.940 ( 7.854 4.597 -1.826) 9.281 26.090 ( 8.953 -1.126 3.768) 9.779 27.888 ( 0.610 8.426 -1.350) 8.555 28.149 ( -2.964 -5.146 -1.944) 6.249 ======================= Grid point 508 (183/216) ======================= q-point: ( 0.55 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -2.327 5.253 5.024) 7.632 1.904 ( -4.697 1.145 10.645) 11.692 2.258 ( -2.310 -1.295 -2.574) 3.693 2.526 ( 3.598 -0.242 5.766) 6.801 2.578 ( -2.726 -1.260 3.073) 4.297 2.667 ( -11.210 -0.749 8.875) 14.317 2.938 ( 5.822 0.327 -4.556) 7.400 3.126 ( 3.857 -1.849 4.861) 6.475 3.665 ( -4.495 3.675 0.547) 5.832 3.773 ( 5.164 3.629 6.258) 8.888 4.101 ( -15.108 0.988 1.808) 15.248 4.187 ( -10.262 -1.078 6.775) 12.344 5.639 ( 2.837 3.465 -2.301) 5.034 5.741 ( 1.943 5.224 3.907) 6.807 6.027 ( -0.874 5.193 -5.986) 7.973 6.172 ( -5.471 0.771 1.839) 5.823 6.381 ( 1.132 3.369 2.753) 4.495 6.639 ( 10.572 -12.342 0.628) 16.263 7.354 ( 7.965 7.714 -2.681) 11.407 7.551 ( 7.755 -9.921 -2.137) 12.772 9.275 ( 10.070 0.026 -5.669) 11.556 9.287 ( 11.683 -0.724 -5.207) 12.812 9.822 ( 2.783 11.401 -6.993) 13.661 10.050 ( -3.343 -5.453 -8.054) 10.285 10.495 ( 1.238 5.533 5.695) 8.036 10.592 ( 0.692 -4.679 2.158) 5.199 12.573 ( -2.386 14.773 1.716) 15.063 12.879 ( -0.325 -15.326 3.096) 15.639 13.114 ( -1.589 -1.375 -8.252) 8.516 13.354 ( -7.281 -2.039 6.338) 9.866 14.256 ( -3.273 5.884 -3.867) 7.764 14.382 ( -4.089 -6.180 -2.741) 7.901 16.283 ( 4.600 0.976 1.743) 5.015 16.309 ( 3.004 0.009 3.246) 4.423 24.148 ( 1.627 1.700 1.446) 2.762 24.199 ( 3.123 -3.080 1.100) 4.522 25.018 ( -7.757 2.552 -5.665) 9.938 25.244 ( -13.110 -5.482 3.990) 14.760 25.739 ( 14.706 1.037 -6.476) 16.102 26.016 ( 9.980 1.064 11.571) 15.318 27.942 ( 0.592 9.344 -3.460) 9.982 28.113 ( -1.724 -7.359 -2.864) 8.083 ======================= Grid point 509 (184/216) ======================= q-point: ( 0.64 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -3.848 0.000 4.290) 5.763 2.050 ( -5.028 0.000 3.952) 6.396 2.252 ( 1.181 0.000 3.546) 3.738 2.505 ( 6.001 0.000 7.368) 9.502 2.625 ( -5.325 -0.000 0.007) 5.325 2.801 ( 6.258 -0.000 -5.092) 8.068 2.951 ( -11.771 0.000 9.595) 15.186 3.076 ( 5.007 0.000 3.635) 6.187 3.709 ( 7.353 0.000 1.134) 7.440 3.793 ( -5.902 0.000 6.028) 8.436 4.382 ( -13.386 0.000 6.460) 14.863 4.402 ( -12.178 0.000 7.457) 14.280 5.562 ( 7.028 -0.000 -5.619) 8.998 5.779 ( 1.310 0.000 4.892) 5.064 5.827 ( 14.704 -0.000 -14.566) 20.697 6.343 ( -8.488 0.000 2.834) 8.949 6.343 ( 3.725 -0.000 -2.356) 4.408 6.495 ( 6.906 0.000 9.144) 11.459 7.273 ( 4.517 0.000 0.351) 4.531 7.440 ( 0.780 0.000 4.614) 4.680 9.023 ( 13.893 -0.000 -10.626) 17.491 9.116 ( 4.417 -0.000 -6.951) 8.236 9.758 ( 4.568 -0.000 -9.029) 10.119 10.028 ( -0.474 0.000 1.652) 1.718 10.492 ( 6.812 -0.000 -2.025) 7.107 10.533 ( 3.864 0.000 2.555) 4.632 12.690 ( -2.253 -0.000 -2.010) 3.019 12.892 ( -6.323 0.000 7.643) 9.919 13.053 ( -0.117 -0.000 -8.477) 8.477 13.510 ( -6.960 0.000 8.058) 10.648 14.308 ( -4.512 -0.000 -7.421) 8.685 14.400 ( -5.800 -0.000 -2.636) 6.371 16.213 ( 6.783 0.000 0.787) 6.828 16.286 ( 3.671 0.000 4.082) 5.490 24.144 ( 0.819 0.000 2.281) 2.424 24.170 ( 1.206 0.000 2.378) 2.666 25.063 ( -3.069 -0.000 -9.243) 9.739 25.462 ( -12.008 0.000 6.810) 13.805 25.498 ( 8.602 -0.000 -7.174) 11.201 25.971 ( 8.937 0.000 14.341) 16.898 27.979 ( -0.707 -0.000 -5.852) 5.894 28.019 ( 3.403 -0.000 -2.756) 4.379 ======================= Grid point 519 (185/216) ======================= q-point: ( 0.45 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 14.011 22.130) 26.193 1.609 ( 0.000 14.025 5.733) 15.152 2.279 ( 0.000 0.197 1.478) 1.491 2.447 ( -0.000 -6.658 14.915) 16.334 2.624 ( -0.000 -1.634 2.118) 2.675 2.714 ( -0.000 -7.079 -1.219) 7.183 3.066 ( 0.000 0.661 5.068) 5.110 3.224 ( -0.000 -3.528 0.230) 3.535 3.421 ( 0.000 16.838 5.455) 17.700 3.592 ( 0.000 11.768 1.416) 11.853 3.887 ( 0.000 0.249 0.880) 0.915 4.092 ( -0.000 -7.389 5.491) 9.206 5.489 ( 0.000 13.401 -2.951) 13.722 5.585 ( 0.000 15.759 1.602) 15.840 5.923 ( -0.000 -4.525 0.294) 4.535 6.118 ( 0.000 17.012 7.468) 18.579 6.344 ( -0.000 -15.366 1.703) 15.460 7.026 ( -0.000 -7.689 -5.946) 9.720 7.339 ( 0.000 7.144 -2.676) 7.629 7.920 ( -0.000 -11.284 -11.486) 16.101 9.434 ( 0.000 12.885 -2.821) 13.190 9.543 ( -0.000 -1.968 2.953) 3.549 9.687 ( 0.000 1.350 -11.512) 11.591 9.896 ( 0.000 5.735 -20.120) 20.921 10.408 ( 0.000 3.965 12.291) 12.915 10.658 ( -0.000 -3.315 3.379) 4.733 12.248 ( 0.000 15.293 3.226) 15.630 13.108 ( -0.000 -1.371 -2.680) 3.010 13.239 ( -0.000 -5.845 1.932) 6.156 13.301 ( -0.000 -20.306 1.029) 20.332 14.100 ( 0.000 5.429 -3.121) 6.262 14.434 ( -0.000 -6.154 -3.091) 6.887 16.334 ( 0.000 2.154 2.583) 3.363 16.351 ( 0.000 0.427 2.882) 2.914 24.127 ( 0.000 2.535 1.488) 2.939 24.362 ( -0.000 -5.252 -0.100) 5.253 24.851 ( 0.000 0.499 1.754) 1.824 25.129 ( -0.000 -7.776 -0.583) 7.798 25.955 ( 0.000 6.562 2.093) 6.888 26.192 ( -0.000 -2.333 0.979) 2.530 27.807 ( 0.000 7.968 -2.056) 8.229 28.132 ( -0.000 -2.681 -4.771) 5.473 ======================= Grid point 520 (186/216) ======================= q-point: ( 0.55 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.617 10.837 7.933) 13.445 1.904 ( -5.089 5.549 16.774) 18.387 2.283 ( 1.756 -0.923 3.524) 4.044 2.565 ( -2.615 -1.443 10.163) 10.593 2.624 ( -3.474 -3.672 10.022) 11.224 2.651 ( 0.477 -3.834 0.820) 3.950 3.027 ( 7.988 0.052 1.492) 8.127 3.231 ( 0.362 -4.113 5.761) 7.088 3.552 ( -1.492 8.828 0.578) 8.971 3.806 ( -7.770 10.574 11.504) 17.451 3.924 ( -2.670 -0.555 -0.843) 2.855 4.149 ( -5.409 -2.290 10.315) 11.870 5.591 ( 0.463 10.704 -1.315) 10.794 5.714 ( 2.262 12.584 1.836) 12.917 5.928 ( -4.411 -1.376 0.343) 4.633 6.197 ( 3.425 -1.746 4.178) 5.677 6.357 ( -3.515 2.912 4.498) 6.409 6.846 ( 5.901 -9.557 -6.676) 13.066 7.348 ( 3.922 7.219 -4.393) 9.316 7.695 ( 4.337 -10.241 -9.736) 14.781 9.381 ( 10.383 2.124 -7.253) 12.842 9.425 ( 10.707 -0.305 -5.546) 12.062 9.663 ( -2.673 7.354 -10.170) 12.832 9.855 ( -8.686 1.722 -18.498) 20.508 10.536 ( 1.049 4.523 10.463) 11.447 10.666 ( 0.681 -2.476 5.125) 5.733 12.428 ( -1.233 15.105 4.051) 15.687 13.050 ( -1.091 -11.653 -3.417) 12.193 13.095 ( 4.297 -7.522 1.000) 8.721 13.303 ( -8.211 -5.249 3.761) 10.446 14.133 ( -1.524 5.586 -4.949) 7.617 14.363 ( -2.319 -6.387 -4.643) 8.230 16.350 ( 3.031 1.497 2.973) 4.502 16.371 ( 1.560 0.469 4.228) 4.531 24.160 ( 0.613 2.361 2.116) 3.229 24.291 ( 3.020 -4.462 0.440) 5.406 24.888 ( -2.715 1.244 -1.393) 3.295 25.139 ( -10.274 -7.179 0.972) 12.571 25.908 ( 13.253 2.959 -1.838) 13.703 26.179 ( 2.232 0.515 7.328) 7.678 27.848 ( 1.321 7.954 -3.881) 8.948 28.094 ( -3.167 -3.803 -5.029) 7.056 ======================= Grid point 521 (187/216) ======================= q-point: ( 0.64 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.497 5.806 5.413) 7.953 2.045 ( -1.529 -3.911 5.136) 6.634 2.302 ( 1.035 1.888 7.761) 8.054 2.600 ( 1.382 1.654 6.838) 7.169 2.639 ( 0.427 -2.205 4.896) 5.387 2.852 ( -8.879 0.121 10.096) 13.445 2.895 ( 7.745 -0.194 1.609) 7.912 3.183 ( 4.856 -2.406 2.725) 6.066 3.715 ( -8.277 3.006 6.041) 10.679 3.850 ( 8.844 1.464 2.464) 9.297 4.200 ( -16.751 3.674 12.279) 21.092 4.330 ( -8.193 -0.970 12.066) 14.617 5.610 ( 5.226 4.537 -1.646) 7.113 5.780 ( 4.404 10.307 -0.161) 11.209 5.941 ( 4.593 -3.272 -3.702) 6.746 6.219 ( -8.172 -1.874 4.604) 9.566 6.406 ( 3.839 0.823 -0.467) 3.954 6.639 ( 5.511 -3.901 -0.786) 6.797 7.312 ( 4.879 6.672 -2.294) 8.578 7.499 ( 1.099 -8.475 -4.751) 9.778 9.168 ( 10.833 0.585 -7.763) 13.340 9.173 ( 13.539 0.195 -9.056) 16.289 9.652 ( -2.299 3.079 -15.423) 15.894 9.905 ( -9.887 1.288 -10.274) 14.317 10.581 ( 6.207 2.686 4.432) 8.086 10.651 ( 4.255 -1.515 6.094) 7.585 12.603 ( -1.136 11.094 1.710) 11.282 12.934 ( -3.065 -12.761 2.978) 13.458 13.019 ( 1.431 -1.324 -2.316) 3.027 13.446 ( -9.431 -1.921 5.962) 11.322 14.167 ( -2.555 4.847 -7.773) 9.510 14.321 ( -4.722 -5.344 -5.178) 8.813 16.316 ( 5.770 1.092 2.302) 6.307 16.372 ( 3.092 0.003 4.716) 5.639 24.182 ( 1.213 0.841 2.962) 3.309 24.221 ( 2.504 -2.060 1.593) 3.613 24.922 ( -4.568 0.565 -6.533) 7.992 25.303 ( -15.125 -4.085 3.492) 16.052 25.657 ( 16.771 0.896 -4.357) 17.351 26.212 ( 6.429 1.279 13.990) 15.449 27.861 ( 0.430 7.530 -7.169) 10.406 28.056 ( -1.318 -5.194 -4.372) 6.916 ======================= Grid point 522 (188/216) ======================= q-point: ( 0.73 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -1.988 0.000 3.563) 4.080 2.014 ( 1.981 -0.000 -5.115) 5.485 2.387 ( -2.448 0.000 8.997) 9.324 2.637 ( 5.080 0.000 9.551) 10.818 2.681 ( -0.371 0.000 7.037) 7.047 2.736 ( 7.199 -0.000 -3.026) 7.809 3.080 ( -7.188 0.000 6.554) 9.727 3.127 ( 2.835 0.000 3.618) 4.596 3.726 ( 8.584 0.000 0.906) 8.632 3.904 ( -6.415 0.000 8.244) 10.446 4.522 ( -8.945 0.000 11.826) 14.828 4.554 ( -10.169 0.000 12.134) 15.832 5.446 ( 16.652 -0.000 -9.327) 19.086 5.657 ( 10.213 -0.000 -7.288) 12.546 5.845 ( 1.954 0.000 3.233) 3.777 6.268 ( 7.385 -0.000 -7.516) 10.537 6.410 ( -7.098 0.000 5.508) 8.985 6.592 ( 2.525 0.000 3.886) 4.634 7.324 ( -1.174 0.000 6.768) 6.869 7.477 ( -6.782 -0.000 -0.847) 6.835 8.850 ( 16.814 -0.000 -11.655) 20.459 9.020 ( 4.159 -0.000 -4.182) 5.898 9.577 ( -1.902 -0.000 -14.781) 14.903 9.993 ( -8.824 -0.000 -6.020) 10.681 10.463 ( 11.441 0.000 -1.519) 11.541 10.608 ( 7.218 0.000 6.850) 9.951 12.631 ( 1.162 -0.000 -5.863) 5.977 12.994 ( -0.061 0.000 1.440) 1.441 13.012 ( -7.427 0.000 7.725) 10.716 13.628 ( -8.589 0.000 7.596) 11.466 14.165 ( -3.721 -0.000 -11.263) 11.862 14.342 ( -6.306 -0.000 -4.914) 7.994 16.227 ( 8.338 0.000 0.869) 8.384 16.351 ( 4.196 0.000 4.284) 5.997 24.195 ( 0.096 0.000 4.376) 4.377 24.206 ( 0.901 0.000 2.294) 2.464 24.924 ( -2.449 -0.000 -8.858) 9.191 25.402 ( 11.192 -0.000 -5.404) 12.428 25.550 ( -15.158 0.000 4.730) 15.879 26.214 ( 9.656 0.000 17.443) 19.937 27.859 ( -2.395 -0.000 -9.898) 10.183 27.970 ( 3.890 -0.000 -3.466) 5.210 ======================= Grid point 532 (189/216) ======================= q-point: ( 0.55 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -0.000 11.922 8.905) 14.880 1.941 ( 0.000 8.142 22.051) 23.506 2.311 ( 0.000 3.124 2.668) 4.108 2.675 ( -0.000 -2.786 4.510) 5.301 2.688 ( 0.000 -7.637 -1.954) 7.883 2.719 ( 0.000 -2.449 17.802) 17.969 3.175 ( -0.000 -0.091 8.889) 8.889 3.253 ( -0.000 -0.548 4.166) 4.202 3.554 ( 0.000 8.986 11.942) 14.945 3.634 ( -0.000 6.248 4.481) 7.689 3.916 ( 0.000 6.675 3.771) 7.667 4.226 ( 0.000 -4.105 12.431) 13.091 5.455 ( -0.000 15.100 -0.937) 15.129 5.611 ( 0.000 16.002 1.888) 16.113 5.927 ( 0.000 -2.990 0.191) 2.996 6.260 ( 0.000 12.382 10.109) 15.985 6.374 ( -0.000 -12.280 1.827) 12.415 6.883 ( 0.000 -5.309 -12.691) 13.757 7.280 ( -0.000 5.607 -5.005) 7.516 7.727 ( -0.000 -8.939 -12.373) 15.265 9.369 ( 0.000 12.311 -6.456) 13.901 9.448 ( 0.000 -0.386 -17.887) 17.891 9.552 ( 0.000 -1.249 -18.046) 18.089 9.560 ( 0.000 2.178 -8.043) 8.333 10.579 ( -0.000 6.073 10.103) 11.788 10.724 ( -0.000 -0.076 4.896) 4.896 12.331 ( -0.000 12.624 7.640) 14.756 13.062 ( 0.000 -2.314 -2.894) 3.706 13.289 ( 0.000 -8.017 4.658) 9.271 13.318 ( 0.000 -17.674 1.108) 17.709 14.031 ( 0.000 5.014 -5.906) 7.748 14.363 ( 0.000 -6.659 -6.101) 9.031 16.385 ( 0.000 2.457 3.741) 4.476 16.405 ( 0.000 1.274 3.699) 3.912 24.160 ( -0.000 1.984 2.679) 3.333 24.361 ( -0.000 -4.689 -0.058) 4.689 24.886 ( -0.000 -1.619 2.628) 3.086 25.116 ( -0.000 -7.872 -1.136) 7.954 26.001 ( -0.000 6.007 3.829) 7.124 26.213 ( -0.000 -1.926 1.611) 2.511 27.764 ( -0.000 7.852 -3.393) 8.554 28.034 ( -0.000 -0.443 -7.725) 7.738 ======================= Grid point 533 (190/216) ======================= q-point: ( 0.64 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 1.792 8.884 7.644) 11.856 2.121 ( -1.241 -2.119 9.382) 9.698 2.353 ( 2.850 4.398 4.684) 7.029 2.643 ( -3.600 -4.166 0.164) 5.508 2.692 ( 2.144 1.420 9.216) 9.568 2.859 ( -3.401 -1.147 13.647) 14.111 3.083 ( 12.089 -0.580 6.319) 13.653 3.320 ( 3.762 -4.248 5.837) 8.141 3.610 ( -4.843 5.067 7.611) 10.347 3.886 ( -7.724 -0.820 -1.955) 8.010 4.076 ( -3.964 11.737 21.393) 24.721 4.354 ( -4.295 -1.068 16.765) 17.339 5.586 ( 1.972 12.582 0.861) 12.765 5.732 ( 3.005 12.521 0.582) 12.890 5.940 ( -3.349 -0.926 1.072) 3.636 6.265 ( 0.793 -9.343 4.406) 10.360 6.421 ( 0.878 5.107 3.071) 6.023 6.706 ( 3.565 -3.974 -11.208) 12.415 7.269 ( 1.863 5.581 -6.021) 8.419 7.544 ( 1.370 -8.599 -9.338) 12.768 9.239 ( 7.732 0.622 -11.443) 13.825 9.265 ( 10.453 5.964 -15.339) 19.497 9.462 ( -3.544 -2.498 -16.603) 17.160 9.616 ( -10.489 4.812 -10.621) 15.684 10.676 ( 4.066 4.602 7.536) 9.721 10.756 ( 2.275 0.727 6.542) 6.964 12.510 ( -0.898 11.482 6.497) 13.224 12.993 ( 0.364 -6.118 -2.779) 6.729 13.141 ( 3.517 -11.867 4.069) 13.029 13.369 ( -9.698 -5.180 5.165) 12.147 14.033 ( -0.965 5.050 -8.022) 9.529 14.270 ( -2.887 -6.595 -7.503) 10.399 16.397 ( 4.000 1.952 2.941) 5.335 16.440 ( 1.163 0.618 4.504) 4.693 24.200 ( -0.061 1.668 2.932) 3.374 24.300 ( 2.644 -3.631 0.717) 4.548 24.862 ( 1.313 -1.037 -1.941) 2.563 25.155 ( -12.704 -6.482 1.068) 14.302 25.888 ( 17.486 2.083 -0.782) 17.627 26.304 ( -4.716 1.402 8.756) 10.043 27.772 ( 3.267 6.922 -5.945) 9.692 28.006 ( -3.675 -1.528 -6.093) 7.278 ======================= Grid point 534 (191/216) ======================= q-point: ( 0.73 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 1.747 5.517 3.971) 7.019 2.079 ( 4.148 -6.097 0.534) 7.394 2.408 ( -0.936 2.197 5.114) 5.644 2.703 ( -3.731 -0.333 4.124) 5.571 2.761 ( 2.653 2.554 10.232) 10.874 2.890 ( 10.904 -1.200 2.854) 11.335 3.041 ( -2.307 1.562 9.261) 9.671 3.232 ( 5.326 -3.471 4.767) 7.946 3.832 ( -0.640 2.410 2.786) 3.739 3.856 ( -2.163 0.490 5.115) 5.575 4.467 ( -10.141 5.278 21.034) 23.940 4.558 ( -5.900 -1.321 17.619) 18.627 5.585 ( 10.135 5.616 -1.772) 11.721 5.727 ( 8.707 6.489 -4.984) 11.948 5.926 ( 3.261 -4.523 -0.158) 5.578 6.297 ( -1.024 2.347 1.724) 3.087 6.366 ( -0.288 -3.874 -1.088) 4.034 6.616 ( 0.400 0.732 -1.970) 2.140 7.276 ( -2.618 6.554 -5.223) 8.780 7.426 ( -2.456 -7.729 -1.504) 8.248 8.998 ( 14.951 3.042 -13.818) 20.584 9.084 ( 5.674 -0.287 -2.860) 6.361 9.367 ( -5.260 -0.705 -20.364) 21.045 9.741 ( -12.315 2.394 -11.151) 16.785 10.629 ( 10.605 1.940 2.324) 11.029 10.764 ( 5.405 0.751 7.694) 9.433 12.612 ( 2.430 4.559 -0.554) 5.196 12.965 ( -3.760 -1.480 3.208) 5.159 13.065 ( 0.103 -7.112 6.146) 9.400 13.543 ( -10.738 -1.945 6.925) 12.924 14.019 ( -1.474 3.440 -11.420) 12.017 14.226 ( -5.797 -4.357 -7.249) 10.254 16.347 ( 6.886 1.232 1.605) 7.177 16.444 ( 3.242 0.014 4.384) 5.453 24.233 ( 0.129 0.366 3.126) 3.150 24.248 ( 2.085 -1.296 2.492) 3.498 24.823 ( -1.508 -0.640 -6.355) 6.563 25.348 ( -16.451 -3.657 2.439) 17.028 25.604 ( 18.525 0.758 -2.657) 18.729 26.441 ( 1.828 1.541 15.720) 15.901 27.724 ( 1.202 5.129 -10.743) 11.966 27.988 ( -0.828 -2.454 -4.173) 4.911 ======================= Grid point 535 (192/216) ======================= q-point: ( 0.82 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 6.603 -0.000 -4.608) 8.052 2.001 ( -0.621 0.000 2.065) 2.156 2.491 ( -3.234 0.000 5.508) 6.387 2.694 ( 12.119 0.000 -1.157) 12.174 2.781 ( 3.448 0.000 3.909) 5.212 2.800 ( 0.447 0.000 9.965) 9.975 3.145 ( -2.519 0.000 1.967) 3.196 3.208 ( 1.227 0.000 7.106) 7.211 3.733 ( 6.160 0.000 0.006) 6.160 4.039 ( -4.575 0.000 8.978) 10.077 4.734 ( -1.362 0.000 15.137) 15.198 4.760 ( -6.480 0.000 14.132) 15.546 5.319 ( 20.562 -0.000 -5.820) 21.370 5.579 ( 8.282 -0.000 -3.978) 9.188 5.862 ( 2.371 -0.000 -1.422) 2.765 6.120 ( 10.312 -0.000 -11.272) 15.277 6.486 ( -1.178 0.000 3.546) 3.737 6.641 ( -3.485 0.000 3.400) 4.869 7.400 ( -14.449 -0.000 -8.789) 16.912 7.490 ( -6.247 0.000 15.064) 16.308 8.670 ( 16.530 -0.000 -12.024) 20.441 9.018 ( 3.514 0.000 4.080) 5.385 9.312 ( -8.236 -0.000 -19.069) 20.771 9.861 ( -13.156 -0.000 -10.588) 16.887 10.448 ( 14.686 0.000 -0.445) 14.693 10.720 ( 7.981 0.000 7.107) 10.687 12.536 ( 5.071 -0.000 -5.623) 7.572 13.080 ( -0.651 0.000 8.939) 8.963 13.120 ( -8.238 0.000 6.250) 10.340 13.747 ( -9.413 0.000 7.997) 12.351 13.966 ( -2.748 -0.000 -14.510) 14.767 14.252 ( -7.038 -0.000 -6.730) 9.738 16.236 ( 9.396 0.000 0.326) 9.402 16.411 ( 5.000 0.000 3.361) 6.025 24.237 ( 0.634 0.000 1.656) 1.773 24.275 ( -0.876 0.000 5.848) 5.913 24.793 ( -1.989 -0.000 -8.303) 8.538 25.333 ( 13.768 0.000 -3.562) 14.221 25.608 ( -17.038 -0.000 2.894) 17.282 26.499 ( 9.484 0.000 19.569) 21.746 27.677 ( -3.854 -0.000 -13.757) 14.287 27.919 ( 4.063 -0.000 -3.047) 5.078 ======================= Grid point 545 (193/216) ======================= q-point: ( 0.64 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -0.000 9.720 9.531) 13.613 2.180 ( 0.000 1.020 8.767) 8.826 2.363 ( 0.000 6.795 4.256) 8.018 2.651 ( 0.000 -6.240 -2.680) 6.791 2.751 ( -0.000 1.178 5.095) 5.229 2.927 ( -0.000 1.876 8.197) 8.409 3.330 ( -0.000 -1.157 10.826) 10.887 3.355 ( -0.000 -1.643 8.566) 8.722 3.723 ( 0.000 -0.951 6.439) 6.509 3.726 ( -0.000 0.898 6.717) 6.777 4.086 ( 0.000 15.803 21.852) 26.968 4.481 ( 0.000 -1.559 20.715) 20.773 5.473 ( 0.000 16.315 3.447) 16.675 5.650 ( 0.000 13.491 3.632) 13.972 5.923 ( 0.000 -0.602 -0.921) 1.101 6.394 ( 0.000 -6.685 0.647) 6.717 6.402 ( 0.000 7.665 7.817) 10.948 6.649 ( 0.000 -4.949 -17.060) 17.764 7.188 ( -0.000 3.974 -6.900) 7.963 7.554 ( -0.000 -7.753 -10.769) 13.270 9.105 ( 0.000 3.788 -21.855) 22.181 9.171 ( -0.000 3.543 -24.962) 25.212 9.307 ( 0.000 6.235 -5.209) 8.125 9.485 ( 0.000 -1.430 -7.049) 7.193 10.718 ( -0.000 6.954 7.928) 10.546 10.799 ( -0.000 2.968 4.643) 5.511 12.478 ( -0.000 8.073 11.257) 13.853 13.029 ( 0.000 -3.291 -1.426) 3.587 13.333 ( 0.000 -13.359 0.946) 13.392 13.380 ( -0.000 -9.510 7.066) 11.848 13.924 ( -0.000 3.690 -7.841) 8.665 14.249 ( 0.000 -7.704 -8.759) 11.665 16.440 ( 0.000 2.756 3.304) 4.303 16.456 ( 0.000 2.269 2.835) 3.632 24.207 ( -0.000 1.159 3.324) 3.521 24.360 ( -0.000 -3.969 -0.152) 3.972 24.927 ( -0.000 -3.870 2.683) 4.709 25.094 ( -0.000 -7.955 -1.608) 8.116 26.068 ( -0.000 5.093 4.824) 7.015 26.238 ( -0.000 -1.242 1.518) 1.962 27.710 ( -0.000 7.639 -3.426) 8.373 27.908 ( -0.000 1.966 -8.336) 8.565 ======================= Grid point 546 (194/216) ======================= q-point: ( 0.73 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 3.435 6.621 6.838) 10.119 2.203 ( 2.537 -3.909 2.393) 5.239 2.409 ( 1.195 2.486 2.664) 3.835 2.641 ( -5.945 -1.786 -0.233) 6.212 2.829 ( 1.028 4.596 7.301) 8.688 2.995 ( 0.286 1.397 4.310) 4.540 3.219 ( 13.416 -0.717 10.534) 17.072 3.414 ( 6.177 -3.698 6.311) 9.574 3.769 ( -6.649 2.536 10.431) 12.627 3.844 ( -3.029 -0.084 -2.229) 3.762 4.458 ( -5.760 10.589 27.236) 29.784 4.662 ( -2.219 -0.613 22.843) 22.959 5.617 ( 4.866 13.077 2.851) 14.241 5.740 ( 4.839 7.970 0.826) 9.360 5.951 ( -2.425 0.826 -0.143) 2.566 6.323 ( -1.373 -11.168 2.230) 11.471 6.400 ( 6.633 3.502 -6.877) 10.176 6.561 ( -3.069 1.191 -4.963) 5.956 7.144 ( 0.957 2.571 -11.277) 11.606 7.436 ( -3.061 -4.923 -3.629) 6.839 8.931 ( 2.872 3.452 -26.120) 26.503 9.071 ( -3.428 1.212 -9.818) 10.470 9.255 ( 5.995 2.244 -9.388) 11.363 9.483 ( -6.806 2.088 -7.950) 10.672 10.765 ( 7.521 4.598 4.290) 9.804 10.858 ( 1.879 3.022 6.329) 7.261 12.616 ( 1.373 5.692 6.954) 9.091 12.973 ( -1.029 -5.057 0.083) 5.161 13.215 ( 3.202 -8.696 5.715) 10.888 13.465 ( -10.087 -5.006 7.276) 13.407 13.891 ( 0.043 3.623 -10.397) 11.010 14.137 ( -3.992 -6.937 -9.768) 12.628 16.434 ( 4.973 2.233 1.871) 5.764 16.502 ( 0.596 0.924 3.360) 3.536 24.245 ( -0.478 0.865 2.779) 2.950 24.313 ( 1.742 -2.684 0.946) 3.337 24.831 ( 5.076 -2.938 -2.006) 6.198 25.170 ( -14.581 -6.129 0.819) 15.838 25.883 ( 20.620 1.553 -0.064) 20.679 26.439 ( -12.028 1.961 8.563) 14.894 27.671 ( 7.015 5.557 -6.860) 11.276 27.919 ( -4.517 0.922 -5.009) 6.808 ======================= Grid point 547 (195/216) ======================= q-point: ( 0.82 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 4.662 3.314 2.682) 6.318 2.077 ( 6.859 -4.643 -0.663) 8.310 2.475 ( -3.565 0.971 3.907) 5.378 2.737 ( -3.737 2.376 0.736) 4.489 2.865 ( 2.770 -1.005 2.660) 3.970 2.958 ( 10.343 1.316 5.864) 11.962 3.149 ( 3.744 1.541 4.938) 6.386 3.335 ( 5.635 -2.676 7.509) 9.763 3.784 ( 2.770 0.945 -4.268) 5.176 4.021 ( -7.288 1.170 11.106) 13.335 4.793 ( -2.788 5.643 20.343) 21.295 4.856 ( -1.612 -0.808 20.022) 20.103 5.559 ( 15.449 3.895 -1.189) 15.977 5.665 ( 8.292 2.042 -2.897) 9.018 5.887 ( 3.291 -2.374 -5.439) 6.786 6.197 ( 11.524 3.668 -8.977) 15.061 6.454 ( -9.144 -1.524 7.159) 11.712 6.589 ( -3.696 0.042 -1.210) 3.889 7.100 ( -9.713 0.388 -15.115) 17.971 7.530 ( -6.437 -1.068 13.737) 15.208 8.712 ( 4.252 2.394 -24.279) 24.765 9.090 ( 0.708 0.947 -3.294) 3.500 9.106 ( 2.077 -0.075 -4.833) 5.261 9.563 ( -11.886 1.126 -12.017) 16.940 10.657 ( 13.279 2.350 1.291) 13.547 10.869 ( 5.574 1.390 5.740) 8.120 12.598 ( 6.200 -0.155 -0.837) 6.258 13.036 ( -6.727 0.207 4.963) 8.362 13.183 ( 0.607 -4.564 9.521) 10.575 13.659 ( -10.982 -1.643 8.048) 13.714 13.823 ( -0.286 1.705 -13.852) 13.960 14.102 ( -7.200 -3.691 -8.775) 11.936 16.364 ( 7.697 1.274 0.668) 7.830 16.501 ( 3.290 0.092 2.926) 4.404 24.259 ( 0.969 0.041 0.983) 1.381 24.308 ( -0.689 -0.552 4.334) 4.423 24.731 ( 1.454 -1.603 -5.388) 5.807 25.378 ( -17.175 -3.483 1.397) 17.580 25.573 ( 19.796 0.605 -1.377) 19.853 26.686 ( -4.602 1.905 15.956) 16.716 27.540 ( 4.633 3.391 -12.938) 14.154 27.933 ( -0.569 -0.596 -2.901) 3.016 ======================= Grid point 548 (196/216) ======================= q-point: (-0.09 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 9.859 0.000 -2.705) 10.223 2.025 ( 0.001 0.000 1.028) 1.028 2.570 ( -3.606 0.000 4.643) 5.879 2.684 ( 12.993 0.000 -0.260) 12.995 2.792 ( 3.624 -0.000 -1.540) 3.938 2.939 ( 1.859 0.000 7.688) 7.909 3.146 ( -0.746 -0.000 -1.490) 1.666 3.315 ( 2.386 0.000 5.663) 6.145 3.729 ( 2.991 0.000 -0.332) 3.010 4.157 ( -1.153 0.000 5.674) 5.790 4.956 ( 5.944 0.000 12.591) 13.924 4.960 ( -1.157 0.000 10.983) 11.043 5.294 ( 17.299 0.000 2.541) 17.485 5.513 ( 9.429 -0.000 -5.078) 10.709 5.804 ( 1.648 -0.000 -5.285) 5.536 5.950 ( 12.811 -0.000 -9.689) 16.063 6.519 ( 2.066 0.000 1.314) 2.448 6.695 ( -5.271 0.000 2.884) 6.009 7.247 ( -21.143 -0.000 -9.358) 23.121 7.780 ( -7.482 0.000 22.206) 23.433 8.460 ( 9.885 -0.000 -16.572) 19.297 9.040 ( -9.623 -0.000 -14.371) 17.295 9.125 ( 3.538 0.000 8.553) 9.256 9.691 ( -16.051 -0.000 -10.738) 19.311 10.446 ( 16.005 0.000 0.017) 16.005 10.809 ( 7.848 0.000 4.232) 8.916 12.472 ( 7.611 -0.000 -2.645) 8.057 13.197 ( -8.764 0.000 3.542) 9.453 13.253 ( -0.810 0.000 13.312) 13.337 13.728 ( -1.773 -0.000 -16.297) 16.393 13.873 ( -9.416 0.000 8.344) 12.581 14.139 ( -7.963 -0.000 -7.862) 11.190 16.238 ( 9.946 0.000 -0.034) 9.946 16.451 ( 5.639 0.000 1.806) 5.921 24.256 ( 0.486 0.000 0.831) 0.963 24.368 ( -2.223 0.000 5.924) 6.327 24.674 ( -1.024 -0.000 -6.957) 7.032 25.292 ( 15.526 0.000 -1.748) 15.624 25.640 ( -17.985 -0.000 1.366) 18.037 26.803 ( 10.322 0.000 19.543) 22.101 27.443 ( -6.156 -0.000 -16.349) 17.469 27.881 ( 4.089 -0.000 -1.759) 4.452 ======================= Grid point 549 (197/216) ======================= q-point: ( 0.00 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 11.053 0.000 -0.000) 11.053 2.032 ( 0.139 0.000 -0.000) 0.139 2.613 ( -4.231 -0.000 0.000) 4.231 2.682 ( 13.447 0.000 -0.000) 13.447 2.771 ( 3.770 0.000 -0.000) 3.770 3.010 ( 4.719 0.000 -0.000) 4.719 3.123 ( -2.462 -0.000 0.000) 2.462 3.361 ( 3.150 0.000 -0.000) 3.150 3.726 ( 1.661 0.000 -0.000) 1.661 4.201 ( 0.926 0.000 -0.000) 0.926 5.054 ( 1.633 0.000 -0.000) 1.633 5.065 ( 9.557 0.000 -0.000) 9.557 5.351 ( 12.412 0.000 -0.000) 12.412 5.441 ( 12.481 0.000 -0.000) 12.481 5.750 ( 0.413 0.000 -0.000) 0.413 5.868 ( 13.916 0.000 -0.000) 13.916 6.530 ( 2.187 0.000 -0.000) 2.187 6.717 ( -4.575 -0.000 0.000) 4.575 7.167 ( -24.304 -0.000 0.000) 24.304 8.108 ( -1.308 -0.000 0.000) 1.308 8.179 ( -2.598 -0.000 0.000) 2.598 8.925 ( -6.746 -0.000 0.000) 6.746 9.213 ( 5.791 0.000 -0.000) 5.791 9.588 ( -19.288 -0.000 0.000) 19.288 10.446 ( 16.277 0.000 -0.000) 16.277 10.843 ( 7.755 0.000 -0.000) 7.755 12.453 ( 8.478 0.000 -0.000) 8.478 13.224 ( -8.956 -0.000 0.000) 8.956 13.477 ( -3.682 -0.000 0.000) 3.682 13.480 ( 1.504 0.000 -0.000) 1.504 13.979 ( -8.761 -0.000 0.000) 8.761 14.036 ( -8.921 -0.000 0.000) 8.921 16.237 ( 10.109 0.000 -0.000) 10.109 16.465 ( 5.873 0.000 -0.000) 5.873 24.263 ( 0.444 0.000 -0.000) 0.444 24.426 ( -3.701 -0.000 0.000) 3.701 24.607 ( 0.330 0.000 -0.000) 0.330 25.279 ( 16.135 0.000 -0.000) 16.135 25.651 ( -18.273 -0.000 0.000) 18.273 27.025 ( 20.479 0.000 -0.000) 20.479 27.246 ( -16.890 -0.000 0.000) 16.890 27.867 ( 4.085 0.000 -0.000) 4.085 ======================= Grid point 557 (198/216) ======================= q-point: ( 0.73 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -0.000 7.504 8.550) 11.376 2.239 ( 0.000 -0.026 0.120) 0.123 2.434 ( 0.000 4.295 4.582) 6.281 2.607 ( 0.000 -5.010 -3.060) 5.871 2.827 ( 0.000 5.633 4.764) 7.377 2.984 ( -0.000 5.204 0.169) 5.207 3.484 ( -0.000 -1.269 8.893) 8.983 3.497 ( -0.000 -2.146 9.439) 9.680 3.754 ( -0.000 0.968 -0.575) 1.126 3.803 ( -0.000 -0.634 2.394) 2.477 4.532 ( 0.000 12.002 32.169) 34.335 4.827 ( 0.000 0.817 22.400) 22.415 5.553 ( 0.000 13.577 6.165) 14.911 5.743 ( 0.000 10.312 9.357) 13.925 5.890 ( 0.000 2.090 -3.750) 4.294 6.337 ( 0.000 7.139 -13.625) 15.382 6.445 ( 0.000 -13.957 -3.006) 14.277 6.482 ( 0.000 2.515 2.409) 3.483 7.074 ( -0.000 3.048 -7.417) 8.019 7.369 ( -0.000 -5.404 -14.110) 15.110 8.800 ( 0.000 3.219 -16.615) 16.924 8.829 ( 0.000 2.815 -18.439) 18.653 9.240 ( 0.000 5.494 -3.264) 6.391 9.365 ( 0.000 1.481 -7.968) 8.104 10.818 ( 0.000 7.241 5.177) 8.902 10.859 ( -0.000 5.151 3.030) 5.976 12.662 ( -0.000 2.572 12.272) 12.539 13.011 ( 0.000 -5.296 -1.472) 5.497 13.354 ( 0.000 -6.159 2.218) 6.547 13.489 ( -0.000 -6.514 5.977) 8.841 13.807 ( -0.000 -1.175 -6.161) 6.272 14.100 ( 0.000 -9.512 -10.510) 14.175 16.482 ( 0.000 2.986 2.038) 3.616 16.490 ( 0.000 2.961 1.564) 3.348 24.258 ( 0.000 0.158 3.291) 3.295 24.354 ( -0.000 -3.083 -0.682) 3.158 24.966 ( -0.000 -5.676 2.445) 6.180 25.067 ( -0.000 -7.914 -1.942) 8.149 26.143 ( -0.000 3.874 4.752) 6.131 26.254 ( -0.000 -0.262 0.426) 0.500 27.668 ( -0.000 7.245 -1.873) 7.483 27.788 ( -0.000 3.955 -7.003) 8.043 ======================= Grid point 558 (199/216) ======================= q-point: ( 0.82 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 4.889 3.960 4.699) 7.852 2.216 ( 5.022 -1.916 -0.340) 5.386 2.441 ( -1.203 -0.512 1.577) 2.048 2.636 ( -6.683 0.704 -0.409) 6.732 2.911 ( 1.178 3.209 3.755) 5.077 3.019 ( 0.587 4.145 -0.207) 4.192 3.380 ( 15.867 -0.040 9.732) 18.614 3.499 ( 5.770 -2.023 4.325) 7.490 3.747 ( -0.187 0.959 -6.060) 6.139 3.953 ( -10.991 1.178 8.138) 13.727 4.867 ( -1.172 8.471 24.310) 25.770 4.999 ( 0.478 1.762 18.427) 18.517 5.660 ( 5.190 8.972 2.684) 10.707 5.766 ( 9.423 3.839 2.105) 10.391 5.908 ( 2.530 -0.012 -6.172) 6.671 6.222 ( 4.872 5.941 -8.073) 11.145 6.406 ( -5.704 -6.556 4.020) 9.575 6.520 ( -3.865 -0.759 -2.157) 4.491 6.934 ( 3.937 -1.095 -14.030) 14.613 7.436 ( -17.205 0.308 2.664) 17.413 8.541 ( 7.610 1.752 -22.055) 23.397 8.966 ( -15.066 1.800 -3.944) 15.677 9.157 ( 10.054 4.199 -3.783) 11.534 9.372 ( -3.090 1.684 -6.078) 7.023 10.812 ( 9.660 4.914 1.965) 11.014 10.937 ( 1.322 3.901 3.684) 5.526 12.708 ( 5.602 -0.826 4.554) 7.267 12.985 ( -5.506 -4.029 0.917) 6.884 13.322 ( 3.194 -2.823 8.332) 9.359 13.576 ( -8.310 -1.193 5.065) 9.805 13.736 ( 0.519 -2.019 -7.478) 7.763 13.978 ( -5.671 -7.597 -10.651) 14.258 16.454 ( 5.660 2.350 0.784) 6.179 16.541 ( 0.103 1.172 1.709) 2.075 24.279 ( 0.472 -0.122 1.481) 1.559 24.328 ( -0.521 -1.541 0.956) 1.887 24.804 ( 7.915 -4.176 -1.356) 9.051 25.179 ( -15.693 -6.015 0.425) 16.811 25.884 ( 22.622 1.244 0.139) 22.656 26.553 ( -19.051 2.320 5.797) 20.048 27.575 ( 11.896 4.559 -5.078) 13.714 27.859 ( -5.278 2.583 -2.713) 6.472 ======================= Grid point 559 (200/216) ======================= q-point: ( 0.91 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 8.505 -0.269 1.574) 8.654 2.063 ( 5.751 -1.568 -1.022) 6.048 2.523 ( -5.803 0.175 2.005) 6.142 2.737 ( -1.898 4.733 -0.307) 5.109 2.874 ( 4.221 -4.087 -0.239) 5.880 3.037 ( 3.888 3.427 3.226) 6.105 3.198 ( 12.225 0.684 1.614) 12.350 3.422 ( 5.412 -1.547 3.102) 6.427 3.728 ( -0.696 1.020 -2.326) 2.633 4.150 ( -5.579 0.864 4.794) 7.406 5.047 ( 2.672 3.224 10.461) 11.268 5.108 ( 3.321 2.761 10.486) 11.340 5.557 ( 14.637 0.110 0.665) 14.652 5.632 ( 11.577 1.644 -1.574) 11.799 5.781 ( 1.637 -0.055 -6.106) 6.322 6.087 ( 13.065 2.970 -4.313) 14.075 6.528 ( -3.180 -0.413 2.080) 3.822 6.586 ( -9.637 0.713 0.494) 9.676 6.900 ( -13.889 -1.931 -8.278) 16.284 7.812 ( -16.105 1.108 21.202) 26.648 8.301 ( 0.412 0.430 -26.048) 26.055 8.980 ( 10.173 3.730 -3.552) 11.403 9.211 ( -6.425 -0.280 9.671) 11.614 9.379 ( -9.186 0.212 -11.837) 14.985 10.670 ( 14.453 2.581 0.400) 14.687 10.931 ( 5.513 1.589 2.106) 6.112 12.591 ( 8.115 -1.986 -0.197) 8.357 13.091 ( -8.485 -1.337 1.855) 8.788 13.359 ( 0.525 -0.558 12.821) 12.844 13.595 ( 1.003 1.165 -14.189) 14.272 13.796 ( -10.187 -2.300 8.192) 13.273 13.965 ( -8.674 -3.778 -8.558) 12.758 16.370 ( 8.113 1.262 0.137) 8.211 16.531 ( 3.269 0.158 1.010) 3.425 24.269 ( 0.989 0.298 0.322) 1.082 24.363 ( -2.860 -0.326 2.250) 3.654 24.667 ( 4.130 -2.352 -2.524) 5.382 25.392 ( -17.451 -3.391 0.450) 17.783 25.560 ( 20.431 0.489 -0.418) 20.441 26.904 ( -15.592 2.441 10.526) 18.970 27.353 ( 14.003 2.316 -9.506) 17.083 27.903 ( -0.493 0.206 -1.036) 1.166 ======================= Grid point 569 (201/216) ======================= q-point: ( 0.82 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -0.000 5.140 6.616) 8.379 2.207 ( 0.000 2.531 -3.913) 4.661 2.500 ( 0.000 0.020 4.001) 4.001 2.557 ( 0.000 -3.025 -3.492) 4.620 2.897 ( 0.000 6.849 4.407) 8.144 2.957 ( -0.000 6.481 -3.151) 7.207 3.595 ( -0.000 -0.681 5.262) 5.306 3.615 ( 0.000 -2.162 4.195) 4.719 3.743 ( -0.000 2.699 0.693) 2.786 3.792 ( -0.000 0.425 -3.436) 3.462 4.961 ( 0.000 8.390 20.594) 22.237 5.076 ( 0.000 5.049 6.526) 8.251 5.652 ( 0.000 6.765 7.806) 10.330 5.795 ( -0.000 3.716 -8.974) 9.713 5.927 ( 0.000 7.712 12.856) 14.992 6.113 ( 0.000 4.891 -12.815) 13.716 6.453 ( 0.000 -6.131 1.663) 6.352 6.482 ( 0.000 -2.221 -1.777) 2.844 7.007 ( -0.000 1.759 0.885) 1.969 7.135 ( -0.000 -1.712 -14.446) 14.548 8.627 ( -0.000 2.705 -5.482) 6.113 8.635 ( 0.000 2.315 -6.550) 6.947 9.217 ( 0.000 4.695 0.544) 4.726 9.261 ( 0.000 3.593 -5.114) 6.249 10.875 ( 0.000 7.122 2.237) 7.465 10.888 ( -0.000 6.477 0.579) 6.503 12.838 ( -0.000 -2.878 10.218) 10.615 12.961 ( 0.000 -6.225 -5.592) 8.368 13.414 ( 0.000 1.439 5.613) 5.795 13.504 ( 0.000 3.251 -4.473) 5.529 13.799 ( -0.000 -11.813 5.877) 13.194 13.936 ( 0.000 -11.873 -10.533) 15.872 16.503 ( 0.000 3.158 0.708) 3.236 16.505 ( 0.000 3.208 0.429) 3.237 24.304 ( 0.000 -0.935 2.631) 2.792 24.337 ( -0.000 -2.045 -1.621) 2.610 25.002 ( -0.000 -6.906 2.254) 7.265 25.036 ( 0.000 -7.612 -2.129) 7.905 26.207 ( 0.000 2.455 3.519) 4.291 26.246 ( -0.000 1.009 -1.506) 1.813 27.660 ( 0.000 6.543 1.004) 6.619 27.701 ( -0.000 5.458 -4.310) 6.954 ======================= Grid point 570 (202/216) ======================= q-point: ( 0.91 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 5.487 2.154 -0.000) 5.894 2.208 ( 5.848 -0.302 -0.000) 5.856 2.454 ( -2.429 -1.679 0.000) 2.953 2.632 ( -6.582 1.917 0.000) 6.855 2.943 ( 2.192 0.187 -0.000) 2.200 3.012 ( -0.536 7.079 0.000) 7.099 3.471 ( 19.292 0.891 -0.000) 19.313 3.539 ( 6.731 -1.601 -0.000) 6.919 3.677 ( -2.989 0.551 0.000) 3.039 4.017 ( -12.981 1.752 0.000) 13.099 5.102 ( 2.733 5.427 0.000) 6.076 5.138 ( 0.791 6.234 0.000) 6.284 5.718 ( 6.315 2.291 -0.000) 6.717 5.740 ( 2.449 3.324 0.000) 4.129 5.841 ( 14.010 1.386 -0.000) 14.078 6.165 ( 3.354 8.184 0.000) 8.845 6.448 ( -7.060 -5.330 0.000) 8.846 6.493 ( -4.297 -1.418 0.000) 4.525 6.807 ( 4.847 -2.588 -0.000) 5.495 7.470 ( -29.811 2.375 0.000) 29.906 8.351 ( 15.678 1.052 -0.000) 15.713 8.939 ( -19.032 2.172 0.000) 19.155 9.131 ( 9.365 4.150 -0.000) 10.243 9.320 ( -0.504 1.955 0.000) 2.019 10.827 ( 10.368 5.056 -0.000) 11.535 10.965 ( 1.078 4.122 0.000) 4.261 12.744 ( 8.179 -4.004 -0.000) 9.107 12.992 ( -8.265 -3.316 0.000) 8.906 13.432 ( 2.520 2.117 -0.000) 3.291 13.538 ( -0.180 2.782 0.000) 2.787 13.751 ( -4.461 -7.877 -0.000) 9.052 13.852 ( -7.805 -8.898 0.000) 11.836 16.460 ( 5.906 2.375 -0.000) 6.366 16.554 ( -0.093 1.261 0.000) 1.265 24.290 ( 1.409 -0.647 -0.000) 1.551 24.336 ( -2.074 -0.933 0.000) 2.274 24.793 ( 9.046 -4.619 -0.000) 10.157 25.182 ( -16.058 -5.994 0.000) 17.140 25.885 ( 23.318 1.140 -0.000) 23.346 26.600 ( -22.453 2.455 0.000) 22.587 27.534 ( 14.566 4.230 -0.000) 15.168 27.838 ( -5.565 3.121 0.000) 6.381 ======================= Grid point 616 (203/216) ======================= q-point: ( 0.45 -0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -5.806 0.000 0.125) 5.808 1.920 ( -7.143 -0.000 -8.276) 10.933 2.303 ( 3.507 -0.000 6.526) 7.409 2.404 ( 5.829 -0.000 -6.344) 8.615 2.668 ( -10.057 -0.000 5.396) 11.413 2.783 ( -12.247 -0.000 -8.853) 15.112 2.909 ( 4.295 -0.000 6.018) 7.393 3.005 ( 5.456 -0.000 -5.745) 7.923 3.700 ( 2.771 -0.000 0.244) 2.782 3.723 ( -2.478 0.000 -3.026) 3.911 4.321 ( -14.189 0.000 -1.751) 14.297 4.326 ( -13.436 -0.000 -2.553) 13.676 5.635 ( 2.641 -0.000 4.396) 5.128 5.704 ( 1.257 -0.000 -4.726) 4.890 6.071 ( 12.374 -0.000 16.410) 20.552 6.301 ( -1.833 0.000 -10.376) 10.537 6.341 ( 6.386 -0.000 -3.220) 7.152 6.350 ( 0.017 -0.000 -0.990) 0.990 7.298 ( 7.560 0.000 3.178) 8.201 7.362 ( 6.215 -0.000 -5.009) 7.982 9.157 ( 9.254 -0.000 6.096) 11.081 9.191 ( 5.602 -0.000 1.766) 5.874 9.870 ( 8.334 -0.000 6.232) 10.406 9.962 ( 7.037 0.000 -5.846) 9.148 10.516 ( 2.941 0.000 0.890) 3.073 10.520 ( 1.481 -0.000 0.085) 1.484 12.721 ( -3.739 -0.000 2.863) 4.709 12.787 ( -5.014 0.000 -5.768) 7.643 13.212 ( -2.201 -0.000 11.207) 11.421 13.375 ( -4.707 -0.000 -9.747) 10.824 14.392 ( -5.065 -0.000 3.591) 6.209 14.420 ( -5.442 -0.000 -0.172) 5.444 16.209 ( 5.095 -0.000 0.530) 5.122 16.233 ( 3.919 -0.000 -2.582) 4.693 24.126 ( 1.261 -0.000 -0.100) 1.265 24.138 ( 1.377 0.000 -1.582) 2.097 25.206 ( -4.745 0.000 9.299) 10.440 25.343 ( -8.012 -0.000 -8.545) 11.714 25.621 ( 7.153 -0.000 8.976) 11.477 25.775 ( 7.552 -0.000 -11.283) 13.577 28.039 ( 1.023 -0.000 2.133) 2.365 28.048 ( 2.455 0.000 0.843) 2.596 ======================= Grid point 628 (204/216) ======================= q-point: ( 0.45 -0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -4.465 6.863 0.000) 8.187 1.812 ( -3.978 0.003 0.000) 3.978 2.325 ( -4.470 2.429 0.000) 5.087 2.417 ( -4.442 -6.852 -0.000) 8.165 2.559 ( -5.359 3.123 0.000) 6.203 2.614 ( -1.749 -2.787 -0.000) 3.290 3.000 ( 4.066 2.768 -0.000) 4.919 3.061 ( 3.804 -3.800 -0.000) 5.377 3.692 ( 0.140 4.139 0.000) 4.141 3.692 ( 0.087 4.179 0.000) 4.180 4.103 ( -11.096 -0.073 0.000) 11.097 4.124 ( -13.152 -1.127 0.000) 13.200 5.682 ( 2.630 3.424 0.000) 4.317 5.684 ( 1.166 3.355 0.000) 3.552 6.084 ( -10.387 5.033 0.000) 11.542 6.155 ( 1.389 6.777 0.000) 6.918 6.354 ( 0.327 3.137 0.000) 3.154 6.631 ( 12.907 -16.484 -0.000) 20.936 7.377 ( 8.777 8.783 -0.000) 12.416 7.567 ( 10.892 -11.220 -0.000) 15.637 9.322 ( 10.408 -0.092 -0.000) 10.408 9.327 ( 9.239 -0.950 -0.000) 9.288 9.875 ( 5.227 15.353 0.000) 16.218 10.120 ( 2.205 -10.667 -0.000) 10.893 10.444 ( -2.739 8.397 0.000) 8.832 10.576 ( -1.573 -5.879 -0.000) 6.086 12.559 ( -2.634 15.862 0.000) 16.079 12.854 ( 0.709 -15.785 -0.000) 15.801 13.228 ( -4.693 0.039 0.000) 4.693 13.259 ( -4.508 -3.731 0.000) 5.852 14.285 ( -3.514 6.244 0.000) 7.165 14.404 ( -3.896 -6.479 -0.000) 7.560 16.270 ( 3.937 1.122 -0.000) 4.094 16.282 ( 3.120 -0.172 -0.000) 3.125 24.137 ( 1.676 2.182 0.000) 2.751 24.190 ( 3.453 -3.613 -0.000) 4.998 25.072 ( -10.027 5.628 0.000) 11.498 25.202 ( -11.267 -8.337 0.000) 14.016 25.847 ( 11.076 2.205 -0.000) 11.293 25.869 ( 14.075 -0.129 -0.000) 14.076 27.969 ( 0.715 9.897 0.000) 9.923 28.136 ( -1.837 -8.062 -0.000) 8.268 ======================= Grid point 640 (205/216) ======================= q-point: ( 0.45 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.000 12.476 -0.000) 12.476 1.763 ( 0.000 4.243 -0.000) 4.243 2.193 ( -0.000 -4.156 0.000) 4.156 2.216 ( -0.000 -4.208 0.000) 4.208 2.589 ( -0.000 -0.266 0.000) 0.266 2.620 ( -0.000 -3.719 0.000) 3.719 3.057 ( 0.000 2.231 -0.000) 2.231 3.115 ( -0.000 -4.387 0.000) 4.387 3.687 ( 0.000 10.431 -0.000) 10.431 3.750 ( 0.000 3.383 -0.000) 3.383 3.869 ( 0.000 0.768 -0.000) 0.768 3.920 ( -0.000 -4.957 0.000) 4.957 5.714 ( 0.000 7.610 -0.000) 7.610 5.802 ( 0.000 12.557 -0.000) 12.557 5.828 ( -0.000 -5.234 0.000) 5.234 6.046 ( -0.000 -14.175 0.000) 14.175 6.456 ( 0.000 22.127 -0.000) 22.127 6.828 ( -0.000 -17.241 0.000) 17.241 7.538 ( 0.000 11.394 -0.000) 11.394 7.770 ( -0.000 -13.348 0.000) 13.348 9.523 ( 0.000 1.196 -0.000) 1.196 9.547 ( -0.000 -0.693 0.000) 0.693 9.937 ( 0.000 12.163 -0.000) 12.163 10.130 ( -0.000 -8.099 0.000) 8.099 10.345 ( 0.000 10.492 -0.000) 10.492 10.514 ( -0.000 -7.741 0.000) 7.741 12.544 ( 0.000 18.404 -0.000) 18.404 12.903 ( -0.000 -20.343 0.000) 20.343 13.129 ( 0.000 0.497 -0.000) 0.497 13.156 ( -0.000 -2.542 0.000) 2.542 14.230 ( 0.000 5.947 -0.000) 5.947 14.343 ( -0.000 -6.230 0.000) 6.230 16.332 ( 0.000 0.299 -0.000) 0.299 16.333 ( 0.000 0.327 -0.000) 0.327 24.179 ( 0.000 4.076 -0.000) 4.076 24.264 ( -0.000 -5.094 0.000) 5.094 24.891 ( 0.000 4.406 -0.000) 4.406 24.996 ( -0.000 -6.817 0.000) 6.817 26.049 ( 0.000 5.204 -0.000) 5.204 26.130 ( -0.000 -3.565 0.000) 3.565 27.966 ( 0.000 7.209 -0.000) 7.209 28.085 ( -0.000 -5.592 0.000) 5.592 ======================= Grid point 641 (206/216) ======================= q-point: ( 0.55 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -0.367 0.000 3.925) 3.942 1.797 ( -1.858 0.000 6.926) 7.171 2.208 ( -3.982 -0.000 -1.990) 4.452 2.318 ( -10.156 0.000 12.058) 15.765 2.583 ( 1.277 0.000 -0.107) 1.282 2.587 ( 0.909 0.000 0.364) 0.979 3.043 ( 3.601 -0.000 -2.714) 4.510 3.104 ( 0.284 0.000 5.045) 5.053 3.684 ( 1.470 -0.000 -5.478) 5.671 3.785 ( 0.646 0.000 7.581) 7.609 3.924 ( -7.624 -0.000 -2.763) 8.109 3.997 ( -7.498 0.000 6.785) 10.112 5.722 ( 3.697 -0.000 -1.923) 4.167 5.765 ( 2.518 0.000 3.574) 4.372 5.991 ( -8.625 -0.000 -0.138) 8.626 6.004 ( -7.177 -0.000 0.880) 7.231 6.589 ( 7.265 -0.000 -2.111) 7.566 6.624 ( 4.791 0.000 2.258) 5.296 7.577 ( 7.000 -0.000 -3.954) 8.040 7.596 ( 5.651 -0.000 -1.746) 5.914 9.456 ( 8.685 -0.000 -2.453) 9.024 9.466 ( 8.306 0.000 -1.049) 8.372 9.995 ( 0.719 -0.000 -9.759) 9.785 10.019 ( -1.500 -0.000 -6.508) 6.679 10.489 ( -2.326 0.000 5.513) 5.984 10.491 ( -2.706 0.000 5.498) 6.128 12.701 ( 1.555 -0.000 -0.605) 1.668 12.721 ( 0.031 0.000 1.992) 1.992 13.133 ( -1.634 -0.000 -4.783) 5.054 13.202 ( -5.656 0.000 3.983) 6.917 14.289 ( -1.580 -0.000 -2.379) 2.856 14.300 ( -2.277 -0.000 -0.929) 2.459 16.324 ( 2.090 0.000 1.394) 2.512 16.327 ( 1.814 0.000 1.788) 2.547 24.199 ( 2.467 0.000 0.140) 2.471 24.204 ( 2.065 0.000 0.803) 2.216 24.967 ( -5.345 -0.000 -3.434) 6.353 25.017 ( -8.433 0.000 2.985) 8.946 25.990 ( 10.609 -0.000 -4.430) 11.497 26.073 ( 5.839 0.000 6.380) 8.649 28.024 ( -0.764 -0.000 -2.907) 3.006 28.045 ( -1.660 -0.000 -0.104) 1.663 ======================= Grid point 653 (207/216) ======================= q-point: ( 0.55 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -0.000 8.172 14.312) 16.481 1.811 ( -0.000 6.501 5.606) 8.584 2.263 ( 0.000 -0.803 6.287) 6.338 2.313 ( 0.000 -6.483 14.595) 15.970 2.595 ( -0.000 -0.589 1.115) 1.261 2.618 ( 0.000 -3.205 0.054) 3.205 3.088 ( -0.000 1.773 4.017) 4.391 3.138 ( -0.000 -3.856 2.965) 4.864 3.663 ( -0.000 7.134 -1.795) 7.356 3.714 ( -0.000 1.318 -3.065) 3.336 3.932 ( 0.000 4.220 7.226) 8.368 4.000 ( 0.000 -3.175 8.986) 9.531 5.703 ( -0.000 9.389 -0.663) 9.412 5.830 ( 0.000 12.000 2.740) 12.309 5.835 ( -0.000 -5.417 0.946) 5.499 6.069 ( -0.000 -14.068 2.656) 14.317 6.471 ( 0.000 19.963 1.954) 20.059 6.809 ( 0.000 -15.607 -2.602) 15.822 7.500 ( -0.000 10.145 -4.822) 11.232 7.705 ( -0.000 -11.704 -7.929) 14.137 9.520 ( 0.000 -0.395 -0.692) 0.797 9.523 ( 0.000 -0.068 -3.188) 3.189 9.819 ( -0.000 9.453 -13.933) 16.838 9.934 ( -0.000 -2.126 -18.930) 19.049 10.490 ( -0.000 4.887 12.268) 13.206 10.582 ( -0.000 -4.791 7.572) 8.960 12.555 ( -0.000 17.803 1.510) 17.867 12.901 ( -0.000 -19.291 -0.252) 19.293 13.127 ( 0.000 0.115 0.003) 0.115 13.157 ( 0.000 -3.002 0.350) 3.023 14.205 ( 0.000 5.922 -3.269) 6.764 14.318 ( 0.000 -6.258 -3.282) 7.066 16.357 ( 0.000 0.470 2.894) 2.932 16.358 ( 0.000 0.243 3.128) 3.138 24.187 ( -0.000 3.856 0.993) 3.982 24.268 ( -0.000 -4.857 0.454) 4.878 24.893 ( -0.000 3.956 0.239) 3.963 24.992 ( -0.000 -6.659 -0.457) 6.674 26.063 ( -0.000 5.053 1.702) 5.332 26.140 ( -0.000 -3.412 1.338) 3.665 27.947 ( -0.000 6.978 -2.371) 7.370 28.060 ( -0.000 -5.106 -3.187) 6.019 ======================= Grid point 654 (208/216) ======================= q-point: ( 0.64 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 1.774 0.000 8.062) 8.254 1.941 ( -2.099 0.000 9.274) 9.509 2.269 ( 3.076 0.000 9.546) 10.030 2.546 ( -13.284 0.000 12.814) 18.457 2.596 ( 1.334 0.000 2.893) 3.186 2.608 ( 0.894 0.000 6.165) 6.230 3.027 ( 8.199 0.000 0.852) 8.243 3.190 ( 0.232 0.000 5.953) 5.958 3.626 ( -1.242 -0.000 -1.645) 2.062 3.881 ( -15.327 -0.000 1.094) 15.366 3.952 ( 6.603 0.000 10.697) 12.570 4.133 ( -6.089 0.000 11.060) 12.625 5.708 ( 4.665 0.000 0.010) 4.665 5.826 ( 0.336 0.000 4.227) 4.241 6.001 ( -2.182 -0.000 -1.565) 2.685 6.011 ( -8.118 0.000 2.746) 8.570 6.561 ( 8.031 0.000 -1.694) 8.208 6.650 ( 1.932 0.000 0.850) 2.111 7.490 ( 5.884 -0.000 -6.648) 8.878 7.525 ( 2.763 -0.000 -7.276) 7.783 9.385 ( 10.471 -0.000 -6.982) 12.585 9.425 ( 10.130 -0.000 -4.271) 10.994 9.764 ( -2.691 -0.000 -19.261) 19.448 9.856 ( -8.085 -0.000 -12.864) 15.194 10.605 ( 1.207 0.000 8.155) 8.244 10.614 ( 0.754 0.000 9.503) 9.533 12.699 ( 2.179 0.000 0.078) 2.180 12.763 ( -2.413 0.000 3.464) 4.221 13.068 ( 2.591 -0.000 -3.071) 4.018 13.258 ( -8.824 0.000 3.613) 9.535 14.226 ( -0.778 -0.000 -5.834) 5.886 14.262 ( -3.059 -0.000 -4.008) 5.042 16.363 ( 2.734 0.000 3.282) 4.272 16.375 ( 1.697 0.000 4.199) 4.529 24.210 ( 2.373 0.000 1.301) 2.706 24.221 ( 1.492 0.000 1.340) 2.005 24.913 ( -1.911 -0.000 -3.660) 4.129 25.058 ( -10.995 -0.000 2.377) 11.249 25.937 ( 14.734 0.000 -2.601) 14.962 26.184 ( 0.361 0.000 8.115) 8.123 27.956 ( 0.636 -0.000 -5.802) 5.837 28.024 ( -2.412 -0.000 -2.429) 3.423 ======================= Grid point 666 (209/216) ======================= q-point: ( 0.64 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -0.000 8.311 7.492) 11.190 2.010 ( -0.000 -1.196 11.776) 11.836 2.388 ( 0.000 5.905 7.740) 9.735 2.525 ( 0.000 -8.421 5.764) 10.205 2.655 ( -0.000 0.556 8.241) 8.260 2.684 ( -0.000 -2.203 13.568) 13.745 3.178 ( -0.000 0.736 7.703) 7.738 3.208 ( -0.000 -2.478 6.182) 6.660 3.661 ( -0.000 2.889 1.968) 3.496 3.688 ( -0.000 0.036 0.280) 0.282 4.078 ( 0.000 8.346 12.306) 14.869 4.177 ( 0.000 -2.697 14.287) 14.540 5.709 ( -0.000 11.543 1.826) 11.686 5.858 ( 0.000 -5.082 2.120) 5.507 5.864 ( 0.000 12.424 1.259) 12.488 6.114 ( -0.000 -14.609 2.823) 14.880 6.509 ( 0.000 13.997 2.569) 14.231 6.741 ( 0.000 -10.387 -6.445) 12.224 7.401 ( -0.000 7.542 -7.714) 10.788 7.557 ( -0.000 -9.126 -10.418) 13.850 9.440 ( 0.000 0.993 -9.485) 9.536 9.478 ( 0.000 -3.156 -7.077) 7.749 9.562 ( -0.000 6.782 -16.780) 18.098 9.621 ( 0.000 0.403 -19.516) 19.520 10.667 ( -0.000 3.486 10.598) 11.157 10.711 ( -0.000 -1.424 8.616) 8.733 12.593 ( -0.000 15.604 3.506) 15.993 12.894 ( -0.000 -15.975 -0.571) 15.985 13.140 ( 0.000 -0.978 2.042) 2.264 13.176 ( 0.000 -4.141 2.471) 4.822 14.131 ( 0.000 5.782 -6.423) 8.642 14.243 ( 0.000 -6.322 -6.537) 9.094 16.413 ( 0.000 0.747 4.101) 4.169 16.417 ( 0.000 0.219 4.262) 4.268 24.208 ( -0.000 3.241 1.777) 3.696 24.278 ( -0.000 -4.223 0.824) 4.303 24.897 ( -0.000 2.771 0.357) 2.794 24.982 ( -0.000 -6.200 -0.860) 6.260 26.100 ( -0.000 4.603 3.047) 5.520 26.169 ( -0.000 -2.955 2.323) 3.759 27.897 ( -0.000 6.341 -3.974) 7.483 27.992 ( -0.000 -3.847 -5.356) 6.595 ======================= Grid point 667 (210/216) ======================= q-point: ( 0.73 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 3.272 0.000 6.619) 7.384 2.053 ( 0.604 0.000 5.895) 5.925 2.400 ( 3.431 0.000 4.475) 5.639 2.597 ( -6.594 -0.000 1.328) 6.726 2.722 ( 2.803 0.000 13.227) 13.520 2.836 ( -5.307 0.000 14.433) 15.378 3.078 ( 12.104 0.000 6.127) 13.567 3.279 ( 4.731 0.000 5.737) 7.436 3.654 ( -5.878 0.000 5.878) 8.313 3.876 ( -8.383 -0.000 -1.281) 8.480 4.203 ( -0.866 0.000 21.536) 21.553 4.340 ( -5.212 0.000 16.202) 17.020 5.721 ( 6.266 0.000 1.659) 6.482 5.891 ( -0.931 0.000 3.928) 4.037 5.953 ( 4.471 -0.000 -4.580) 6.401 6.071 ( -9.623 0.000 4.908) 10.802 6.523 ( 8.059 -0.000 -3.790) 8.905 6.640 ( -0.218 -0.000 -2.415) 2.425 7.381 ( 0.821 -0.000 -11.389) 11.419 7.401 ( 2.127 -0.000 -4.082) 4.603 9.243 ( 8.120 -0.000 -10.988) 13.663 9.321 ( 12.606 -0.000 -12.260) 17.584 9.440 ( -5.343 -0.000 -19.497) 20.216 9.663 ( -11.250 -0.000 -11.734) 16.256 10.722 ( 4.847 0.000 6.758) 8.317 10.760 ( 2.046 0.000 9.165) 9.391 12.699 ( 3.383 0.000 -0.101) 3.384 12.824 ( -4.975 0.000 4.347) 6.606 13.059 ( 5.311 0.000 2.251) 5.768 13.321 ( -10.816 0.000 4.980) 11.907 14.111 ( 0.239 -0.000 -9.265) 9.268 14.179 ( -4.111 -0.000 -6.849) 7.988 16.414 ( 3.677 0.000 3.171) 4.856 16.445 ( 1.445 0.000 4.639) 4.859 24.238 ( 1.598 0.000 2.292) 2.794 24.243 ( 1.051 0.000 1.456) 1.796 24.857 ( 1.613 -0.000 -3.605) 3.949 25.089 ( -12.975 -0.000 1.701) 13.086 25.908 ( 18.223 0.000 -1.165) 18.260 26.318 ( -5.911 0.000 9.181) 10.919 27.851 ( 3.054 -0.000 -7.774) 8.352 27.977 ( -3.168 -0.000 -3.532) 4.744 ======================= Grid point 679 (211/216) ======================= q-point: ( 0.73 0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -0.000 7.656 7.290) 10.572 2.144 ( -0.000 -4.428 6.255) 7.664 2.453 ( 0.000 3.808 1.675) 4.160 2.536 ( 0.000 -5.498 -1.065) 5.601 2.825 ( -0.000 5.615 10.978) 12.331 2.915 ( -0.000 -3.251 11.802) 12.242 3.317 ( -0.000 -0.149 10.062) 10.063 3.326 ( -0.000 -1.124 9.098) 9.167 3.718 ( -0.000 0.260 4.591) 4.599 3.728 ( -0.000 -0.548 4.367) 4.401 4.333 ( 0.000 10.056 21.653) 23.874 4.450 ( 0.000 -3.044 21.626) 21.839 5.764 ( 0.000 13.266 5.411) 14.327 5.865 ( 0.000 11.516 -1.119) 11.570 5.895 ( 0.000 -3.033 2.365) 3.846 6.145 ( 0.000 -16.684 1.139) 16.723 6.532 ( 0.000 5.974 -0.197) 5.978 6.608 ( 0.000 -2.230 -10.664) 10.894 7.277 ( -0.000 5.880 -8.217) 10.104 7.406 ( -0.000 -7.884 -9.159) 12.085 9.165 ( 0.000 2.680 -22.213) 22.374 9.198 ( 0.000 -0.521 -23.794) 23.800 9.408 ( 0.000 4.296 -6.229) 7.566 9.461 ( 0.000 -1.639 -5.974) 6.195 10.811 ( -0.000 3.100 8.098) 8.671 10.834 ( -0.000 0.513 7.124) 7.142 12.661 ( -0.000 11.512 5.140) 12.608 12.886 ( -0.000 -11.812 -0.430) 11.820 13.196 ( 0.000 -1.190 5.282) 5.415 13.240 ( 0.000 -5.295 6.075) 8.058 14.010 ( 0.000 5.385 -9.295) 10.742 14.119 ( 0.000 -6.417 -9.594) 11.542 16.473 ( 0.000 0.931 3.530) 3.650 16.478 ( 0.000 0.374 3.483) 3.503 24.239 ( -0.000 2.335 2.144) 3.170 24.292 ( -0.000 -3.336 0.930) 3.463 24.903 ( -0.000 1.207 0.384) 1.267 24.967 ( -0.000 -5.480 -1.133) 5.596 26.152 ( -0.000 3.855 3.667) 5.320 26.208 ( -0.000 -2.200 2.587) 3.396 27.832 ( -0.000 5.400 -4.260) 6.878 27.904 ( -0.000 -2.216 -5.942) 6.342 ======================= Grid point 680 (212/216) ======================= q-point: ( 0.82 0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 4.692 0.000 4.028) 6.184 2.132 ( 4.322 0.000 4.402) 6.169 2.428 ( 0.376 0.000 0.590) 0.699 2.619 ( -8.766 -0.000 1.400) 8.877 2.894 ( 3.857 0.000 6.898) 7.903 2.993 ( -1.266 0.000 6.538) 6.659 3.213 ( 12.876 0.000 10.734) 16.764 3.380 ( 7.816 0.000 7.407) 10.768 3.797 ( -8.946 0.000 11.661) 14.697 3.837 ( -2.975 -0.000 -3.939) 4.936 4.590 ( -3.041 0.000 27.715) 27.882 4.632 ( -3.265 0.000 21.786) 22.029 5.758 ( 8.940 0.000 3.090) 9.459 5.871 ( 9.223 -0.000 -5.788) 10.889 5.924 ( 0.593 -0.000 -0.661) 0.888 6.165 ( -14.453 0.000 7.682) 16.367 6.437 ( 8.511 -0.000 -7.232) 11.169 6.579 ( -2.207 -0.000 -5.040) 5.502 7.175 ( 2.425 -0.000 -15.545) 15.733 7.382 ( -5.154 0.000 1.670) 5.418 8.965 ( 1.840 -0.000 -28.030) 28.090 9.081 ( -2.571 -0.000 -9.129) 9.484 9.279 ( 8.217 -0.000 -6.513) 10.485 9.503 ( -8.262 -0.000 -9.129) 12.312 10.808 ( 7.719 0.000 4.469) 8.919 10.887 ( 2.131 0.000 7.175) 7.485 12.698 ( 5.776 0.000 0.116) 5.777 12.890 ( -6.950 0.000 4.039) 8.038 13.139 ( 5.578 0.000 8.063) 9.804 13.416 ( -11.482 0.000 7.475) 13.701 13.945 ( 1.476 -0.000 -12.260) 12.349 14.054 ( -5.521 -0.000 -9.280) 10.798 16.454 ( 4.661 0.000 1.986) 5.066 16.509 ( 0.992 0.000 3.536) 3.673 24.264 ( 0.873 0.000 1.213) 1.494 24.277 ( 0.185 0.000 2.623) 2.630 24.805 ( 4.964 -0.000 -3.130) 5.869 25.110 ( -14.391 -0.000 1.054) 14.429 25.898 ( 20.979 0.000 -0.291) 20.981 26.458 ( -12.967 0.000 8.850) 15.700 27.727 ( 6.937 -0.000 -8.042) 10.621 27.923 ( -3.894 -0.000 -3.292) 5.099 ======================= Grid point 692 (213/216) ======================= q-point: ( 0.82 0.36 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -0.000 5.663 5.720) 8.049 2.212 ( 0.000 -2.962 2.730) 4.028 2.469 ( 0.000 1.364 0.842) 1.603 2.517 ( 0.000 -3.981 -1.263) 4.177 2.948 ( -0.000 6.064 5.287) 8.046 3.021 ( -0.000 -1.311 2.877) 3.161 3.472 ( -0.000 -0.207 9.621) 9.623 3.474 ( -0.000 -0.508 9.657) 9.671 3.772 ( -0.000 0.933 1.963) 2.174 3.789 ( -0.000 -0.897 2.599) 2.749 4.725 ( 0.000 8.242 27.760) 28.958 4.822 ( 0.000 -2.243 25.301) 25.400 5.819 ( 0.000 13.697 -2.665) 13.954 5.890 ( 0.000 7.032 8.826) 11.285 5.911 ( 0.000 -0.361 -1.407) 1.453 6.149 ( 0.000 -16.789 -0.545) 16.798 6.446 ( 0.000 4.235 -8.841) 9.803 6.496 ( 0.000 -1.057 -4.242) 4.372 7.151 ( -0.000 5.318 -8.115) 9.703 7.261 ( -0.000 -6.165 -10.397) 12.087 8.849 ( 0.000 1.864 -17.452) 17.551 8.862 ( 0.000 0.616 -18.481) 18.491 9.329 ( 0.000 3.842 -4.072) 5.599 9.373 ( 0.000 -0.860 -5.361) 5.429 10.912 ( 0.000 2.859 5.105) 5.851 10.924 ( -0.000 1.581 4.516) 4.785 12.743 ( -0.000 6.135 5.305) 8.110 12.879 ( -0.000 -8.123 -0.632) 8.148 13.302 ( 0.000 0.480 8.568) 8.582 13.362 ( 0.000 -5.681 9.593) 11.149 13.851 ( -0.000 4.438 -11.264) 12.106 13.953 ( 0.000 -6.594 -11.933) 13.634 16.517 ( 0.000 0.966 2.140) 2.348 16.520 ( 0.000 0.619 1.993) 2.087 24.271 ( -0.000 1.250 1.950) 2.317 24.304 ( -0.000 -2.291 0.578) 2.363 24.909 ( -0.000 -0.433 0.471) 0.640 24.949 ( -0.000 -4.530 -1.192) 4.684 26.207 ( -0.000 2.818 3.265) 4.313 26.243 ( -0.000 -1.153 1.847) 2.177 27.774 ( -0.000 4.214 -3.018) 5.184 27.819 ( -0.000 -0.499 -4.876) 4.901 ======================= Grid point 693 (214/216) ======================= q-point: ( 0.91 0.36 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 5.744 0.000 1.806) 6.021 2.184 ( 7.655 0.000 2.277) 7.987 2.436 ( -2.797 -0.000 0.505) 2.842 2.637 ( -10.089 -0.000 0.927) 10.131 2.942 ( 5.592 0.000 0.730) 5.639 3.059 ( -0.768 0.000 2.596) 2.707 3.381 ( 15.310 0.000 10.452) 18.538 3.482 ( 6.964 0.000 5.093) 8.627 3.756 ( -0.584 -0.000 -6.357) 6.383 3.964 ( -11.521 0.000 8.678) 14.424 4.973 ( 0.632 0.000 20.559) 20.569 4.996 ( -1.036 0.000 23.114) 23.137 5.784 ( 9.209 -0.000 -4.977) 10.468 5.814 ( 13.599 0.000 3.660) 14.083 5.858 ( 1.501 -0.000 -7.285) 7.438 6.296 ( -16.726 0.000 8.329) 18.685 6.323 ( 8.977 -0.000 -6.699) 11.202 6.508 ( -4.630 -0.000 -3.658) 5.901 6.923 ( 5.900 -0.000 -15.688) 16.761 7.440 ( -18.602 -0.000 5.078) 19.283 8.559 ( 7.877 -0.000 -22.719) 24.046 8.985 ( -15.304 -0.000 -3.414) 15.680 9.199 ( 10.731 -0.000 -3.756) 11.370 9.387 ( -2.786 -0.000 -5.789) 6.425 10.858 ( 9.607 0.000 2.137) 9.842 10.973 ( 1.769 0.000 3.937) 4.317 12.703 ( 7.687 0.000 0.379) 7.696 12.941 ( -8.123 0.000 2.435) 8.480 13.296 ( 4.723 0.000 11.940) 12.840 13.549 ( -10.948 0.000 9.654) 14.596 13.742 ( 2.873 -0.000 -13.901) 14.195 13.900 ( -7.197 -0.000 -10.664) 12.865 16.475 ( 5.398 0.000 0.820) 5.460 16.550 ( 0.534 0.000 1.815) 1.892 24.279 ( 0.880 0.000 0.689) 1.118 24.312 ( -1.450 0.000 1.851) 2.352 24.765 ( 7.713 0.000 -1.957) 7.957 25.122 ( -15.254 -0.000 0.491) 15.262 25.897 ( 22.791 0.000 0.028) 22.791 26.576 ( -19.969 0.000 5.967) 20.842 27.619 ( 11.851 -0.000 -5.586) 13.101 27.882 ( -4.444 -0.000 -1.952) 4.854 ======================= Grid point 695 (215/216) ======================= q-point: ( 1.00 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 6.103 0.000 -0.000) 6.103 2.201 ( 9.080 0.000 -0.000) 9.080 2.440 ( -4.337 -0.000 0.000) 4.337 2.645 ( -10.437 -0.000 0.000) 10.437 2.945 ( 6.527 0.000 -0.000) 6.527 3.078 ( -1.209 -0.000 0.000) 1.209 3.486 ( 20.381 0.000 -0.000) 20.381 3.522 ( 6.496 0.000 -0.000) 6.496 3.683 ( -3.659 -0.000 0.000) 3.659 4.034 ( -13.098 -0.000 0.000) 13.098 5.158 ( 3.358 0.000 -0.000) 3.358 5.203 ( 0.743 0.000 -0.000) 0.743 5.736 ( 8.098 0.000 -0.000) 8.098 5.773 ( 1.418 0.000 -0.000) 1.418 5.851 ( 15.619 0.000 -0.000) 15.619 6.265 ( 9.274 0.000 -0.000) 9.274 6.372 ( -16.973 -0.000 0.000) 16.973 6.476 ( -5.269 -0.000 0.000) 5.269 6.781 ( 7.319 0.000 -0.000) 7.319 7.493 ( -30.783 -0.000 0.000) 30.783 8.363 ( 16.552 0.000 -0.000) 16.552 8.962 ( -21.342 -0.000 0.000) 21.342 9.169 ( 11.285 0.000 -0.000) 11.285 9.339 ( 0.436 0.000 -0.000) 0.436 10.875 ( 10.270 0.000 -0.000) 10.270 11.003 ( 1.568 0.000 -0.000) 1.568 12.706 ( 8.338 0.000 -0.000) 8.338 12.960 ( -8.510 -0.000 0.000) 8.510 13.454 ( 3.164 0.000 -0.000) 3.164 13.568 ( 4.611 0.000 -0.000) 4.611 13.674 ( -10.223 -0.000 0.000) 10.223 13.767 ( -8.271 -0.000 0.000) 8.271 16.481 ( 5.671 0.000 -0.000) 5.671 16.564 ( 0.341 0.000 -0.000) 0.341 24.284 ( 0.909 0.000 -0.000) 0.909 24.328 ( -2.262 -0.000 0.000) 2.262 24.749 ( 8.883 0.000 -0.000) 8.883 25.125 ( -15.546 -0.000 0.000) 15.546 25.897 ( 23.429 0.000 -0.000) 23.429 26.624 ( -23.413 -0.000 0.000) 23.413 27.573 ( 14.565 0.000 -0.000) 14.565 27.866 ( -4.651 -0.000 0.000) 4.651 ======================= Grid point 708 (216/216) ======================= q-point: ( 0.91 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -0.000 2.912 3.291) 4.394 2.229 ( 0.000 -0.153 -0.416) 0.443 2.483 ( 0.000 -0.556 0.985) 1.131 2.499 ( 0.000 -2.338 -1.095) 2.582 3.004 ( 0.000 3.901 2.532) 4.650 3.031 ( -0.000 1.184 -0.878) 1.474 3.592 ( -0.000 0.165 5.167) 5.169 3.596 ( 0.000 -0.347 4.988) 5.000 3.781 ( -0.000 1.386 -0.003) 1.386 3.795 ( -0.000 -0.209 -1.323) 1.339 5.097 ( 0.000 5.530 17.273) 18.137 5.141 ( 0.000 1.035 12.442) 12.485 5.771 ( 0.000 5.629 -1.459) 5.814 5.831 ( -0.000 -0.365 -7.713) 7.721 6.040 ( 0.000 5.035 8.890) 10.217 6.127 ( 0.000 -3.511 -2.771) 4.473 6.381 ( 0.000 -0.147 0.253) 0.293 6.423 ( 0.000 -3.519 -4.437) 5.663 7.052 ( -0.000 2.793 -3.160) 4.218 7.100 ( -0.000 -2.260 -8.924) 9.205 8.664 ( -0.000 1.138 -6.203) 6.306 8.666 ( 0.000 0.898 -6.546) 6.608 9.290 ( 0.000 2.747 -0.794) 2.859 9.307 ( 0.000 0.983 -2.942) 3.102 10.966 ( 0.000 2.589 1.863) 3.189 10.969 ( -0.000 2.200 1.401) 2.608 12.815 ( -0.000 0.576 3.955) 3.997 12.861 ( -0.000 -4.238 -2.004) 4.688 13.451 ( 0.000 2.797 10.300) 10.673 13.514 ( 0.000 -2.954 7.830) 8.368 13.686 ( -0.000 0.502 -7.750) 7.766 13.764 ( 0.000 -6.849 -12.123) 13.924 16.539 ( 0.000 0.917 0.722) 1.167 16.540 ( 0.000 0.811 0.580) 0.997 24.296 ( -0.000 0.070 1.221) 1.223 24.307 ( -0.000 -1.136 -0.237) 1.160 24.918 ( -0.000 -1.983 0.711) 2.107 24.932 ( 0.000 -3.361 -1.015) 3.511 26.247 ( -0.000 1.534 1.822) 2.381 26.259 ( -0.000 0.141 0.169) 0.221 27.746 ( -0.000 2.795 -0.504) 2.840 27.761 ( -0.000 1.194 -2.476) 2.749 =================== 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 3/55902 10.0 1015.945 1371.648 2130.548 0.000 -0.000 0.000 3/55902 20.0 295.854 277.412 318.921 0.000 -0.000 0.000 3/55902 30.0 110.093 106.728 124.997 0.000 -0.000 0.000 3/55902 40.0 57.098 56.890 69.226 0.000 -0.000 0.000 3/55902 50.0 35.300 35.715 45.029 0.000 -0.000 0.000 3/55902 60.0 24.410 24.936 32.281 0.000 -0.000 0.000 3/55902 70.0 18.239 18.756 24.718 0.000 -0.000 0.000 3/55902 80.0 14.403 14.882 19.840 0.000 -0.000 0.000 3/55902 90.0 11.843 12.282 16.491 0.000 -0.000 0.000 3/55902 100.0 10.037 10.439 14.079 0.000 -0.000 0.000 3/55902 110.0 8.707 9.076 12.272 0.000 -0.000 0.000 3/55902 120.0 7.690 8.032 10.877 0.000 -0.000 0.000 3/55902 130.0 6.890 7.210 9.770 0.000 -0.000 0.000 3/55902 140.0 6.247 6.547 8.872 0.000 -0.000 0.000 3/55902 150.0 5.718 6.001 8.131 0.000 -0.000 0.000 3/55902 160.0 5.276 5.545 7.508 0.000 -0.000 0.000 3/55902 170.0 4.902 5.157 6.978 0.000 -0.000 0.000 3/55902 180.0 4.581 4.825 6.522 0.000 -0.000 0.000 3/55902 190.0 4.303 4.536 6.125 0.000 -0.000 0.000 3/55902 200.0 4.060 4.282 5.776 0.000 -0.000 0.000 3/55902 210.0 3.846 4.058 5.468 0.000 -0.000 0.000 3/55902 220.0 3.655 3.859 5.192 0.000 -0.000 0.000 3/55902 230.0 3.485 3.680 4.945 0.000 -0.000 0.000 3/55902 240.0 3.332 3.519 4.721 0.000 -0.000 0.000 3/55902 250.0 3.193 3.373 4.519 0.000 -0.000 0.000 3/55902 260.0 3.067 3.240 4.334 0.000 -0.000 0.000 3/55902 270.0 2.952 3.118 4.164 0.000 -0.000 0.000 3/55902 280.0 2.846 3.005 4.008 0.000 -0.000 0.000 3/55902 290.0 2.748 2.902 3.864 0.000 -0.000 0.000 3/55902 300.0 2.658 2.806 3.731 0.000 -0.000 0.000 3/55902 310.0 2.574 2.716 3.607 0.000 -0.000 0.000 3/55902 320.0 2.496 2.633 3.491 0.000 -0.000 0.000 3/55902 330.0 2.424 2.555 3.383 0.000 -0.000 0.000 3/55902 340.0 2.355 2.482 3.282 0.000 -0.000 0.000 3/55902 350.0 2.291 2.414 3.187 0.000 -0.000 0.000 3/55902 360.0 2.231 2.349 3.098 0.000 -0.000 0.000 3/55902 370.0 2.174 2.288 3.014 0.000 -0.000 0.000 3/55902 380.0 2.120 2.231 2.934 0.000 -0.000 0.000 3/55902 390.0 2.069 2.176 2.859 0.000 -0.000 0.000 3/55902 400.0 2.020 2.124 2.787 0.000 -0.000 0.000 3/55902 410.0 1.974 2.075 2.719 0.000 -0.000 0.000 3/55902 420.0 1.930 2.028 2.655 0.000 -0.000 0.000 3/55902 430.0 1.888 1.983 2.593 0.000 -0.000 0.000 3/55902 440.0 1.848 1.940 2.535 0.000 -0.000 0.000 3/55902 450.0 1.810 1.899 2.479 0.000 -0.000 0.000 3/55902 460.0 1.774 1.860 2.425 0.000 -0.000 0.000 3/55902 470.0 1.739 1.823 2.374 0.000 -0.000 0.000 3/55902 480.0 1.705 1.787 2.325 0.000 -0.000 0.000 3/55902 490.0 1.672 1.752 2.278 0.000 -0.000 0.000 3/55902 500.0 1.641 1.719 2.233 0.000 -0.000 0.000 3/55902 510.0 1.611 1.687 2.190 0.000 -0.000 0.000 3/55902 520.0 1.583 1.656 2.149 0.000 -0.000 0.000 3/55902 530.0 1.555 1.627 2.108 0.000 -0.000 0.000 3/55902 540.0 1.528 1.598 2.070 0.000 -0.000 0.000 3/55902 550.0 1.502 1.571 2.033 0.000 -0.000 0.000 3/55902 560.0 1.477 1.544 1.997 0.000 -0.000 0.000 3/55902 570.0 1.453 1.518 1.962 0.000 -0.000 0.000 3/55902 580.0 1.429 1.493 1.929 0.000 -0.000 0.000 3/55902 590.0 1.407 1.469 1.897 0.000 -0.000 0.000 3/55902 600.0 1.385 1.446 1.866 0.000 -0.000 0.000 3/55902 610.0 1.364 1.424 1.836 0.000 -0.000 0.000 3/55902 620.0 1.343 1.402 1.806 0.000 -0.000 0.000 3/55902 630.0 1.323 1.381 1.778 0.000 -0.000 0.000 3/55902 640.0 1.304 1.360 1.751 0.000 -0.000 0.000 3/55902 650.0 1.285 1.340 1.724 0.000 -0.000 0.000 3/55902 660.0 1.266 1.321 1.698 0.000 -0.000 0.000 3/55902 670.0 1.249 1.302 1.673 0.000 -0.000 0.000 3/55902 680.0 1.231 1.284 1.649 0.000 -0.000 0.000 3/55902 690.0 1.214 1.266 1.626 0.000 -0.000 0.000 3/55902 700.0 1.198 1.248 1.603 0.000 -0.000 0.000 3/55902 710.0 1.182 1.232 1.580 0.000 -0.000 0.000 3/55902 720.0 1.167 1.215 1.559 0.000 -0.000 0.000 3/55902 730.0 1.151 1.199 1.538 0.000 -0.000 0.000 3/55902 740.0 1.137 1.184 1.517 0.000 -0.000 0.000 3/55902 750.0 1.122 1.169 1.497 0.000 -0.000 0.000 3/55902 760.0 1.108 1.154 1.478 0.000 -0.000 0.000 3/55902 770.0 1.095 1.139 1.459 0.000 -0.000 0.000 3/55902 780.0 1.081 1.125 1.440 0.000 -0.000 0.000 3/55902 790.0 1.068 1.112 1.422 0.000 -0.000 0.000 3/55902 800.0 1.056 1.098 1.405 0.000 -0.000 0.000 3/55902 810.0 1.043 1.085 1.388 0.000 -0.000 0.000 3/55902 820.0 1.031 1.072 1.371 0.000 -0.000 0.000 3/55902 830.0 1.019 1.060 1.355 0.000 -0.000 0.000 3/55902 840.0 1.008 1.048 1.339 0.000 -0.000 0.000 3/55902 850.0 0.996 1.036 1.323 0.000 -0.000 0.000 3/55902 860.0 0.985 1.024 1.308 0.000 -0.000 0.000 3/55902 870.0 0.974 1.013 1.293 0.000 -0.000 0.000 3/55902 880.0 0.964 1.002 1.279 0.000 -0.000 0.000 3/55902 890.0 0.953 0.991 1.265 0.000 -0.000 0.000 3/55902 900.0 0.943 0.980 1.251 0.000 -0.000 0.000 3/55902 910.0 0.933 0.970 1.237 0.000 -0.000 0.000 3/55902 920.0 0.923 0.960 1.224 0.000 -0.000 0.000 3/55902 930.0 0.914 0.950 1.211 0.000 -0.000 0.000 3/55902 940.0 0.905 0.940 1.198 0.000 -0.000 0.000 3/55902 950.0 0.895 0.930 1.186 0.000 -0.000 0.000 3/55902 960.0 0.886 0.921 1.173 0.000 -0.000 0.000 3/55902 970.0 0.878 0.911 1.161 0.000 -0.000 0.000 3/55902 980.0 0.869 0.902 1.150 0.000 -0.000 0.000 3/55902 990.0 0.861 0.894 1.138 0.000 -0.000 0.000 3/55902 1000.0 0.852 0.885 1.127 0.000 -0.000 0.000 3/55902 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:19:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|