----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:03:34]------------------------- 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 5.752165545000000 5.851167565000000 b 3.052479384999999 0.000000000000000 5.851167565000000 c 3.052479384999999 5.752165545000000 0.000000000000000 Atomic positions (fractional): *1 N 0.34022014104141 0.91198418977384 0.29142049673291 14.007 2 N 0.45637517245184 0.29142049673291 0.91198418977384 14.007 *3 N 0.37507651816941 0.37507651816941 0.12492348183059 14.007 4 N 0.12492348183059 0.12492348183059 0.37507651816941 14.007 5 N 0.87492348183059 0.87492348183059 0.12507651816941 14.007 6 N 0.12507651816941 0.12507651816941 0.87492348183059 14.007 7 N 0.33801581022616 0.90977985895859 0.79362482754816 14.007 8 N 0.95857950326709 0.79362482754816 0.90977985895859 14.007 9 N 0.79362482754816 0.95857950326709 0.33801581022616 14.007 10 N 0.90977985895859 0.33801581022616 0.95857950326709 14.007 11 N 0.91198418977384 0.34022014104141 0.45637517245184 14.007 12 N 0.29142049673291 0.45637517245184 0.34022014104141 14.007 *13 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 14 Sr 0.75000000000000 0.75000000000000 0.75000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.104958769999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.504331089999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.702335130000000 Atomic positions (fractional): *1 N 0.10170234325337 0.81582031888716 0.62610216540763 14.007 > 1 2 N 0.10170234325337 0.68417968111284 0.87389783459237 14.007 > 2 *3 N 0.25000000000000 0.75000000000000 0.87507651816941 14.007 > 3 4 N 0.25000000000000 0.75000000000000 0.62492348183059 14.007 > 4 5 N 0.00000000000000 0.00000000000000 0.87492348183059 14.007 > 5 6 N 0.50000000000000 0.00000000000000 0.62507651816941 14.007 > 6 7 N 0.85170234325337 0.56582031888716 0.62389783459237 14.007 > 7 8 N 0.85170234325337 0.93417968111284 0.87610216540763 14.007 > 8 9 N 0.64829765674663 0.56582031888716 0.87610216540763 14.007 > 9 10 N 0.64829765674663 0.93417968111284 0.62389783459237 14.007 > 10 11 N 0.39829765674663 0.68417968111284 0.62610216540763 14.007 > 11 12 N 0.39829765674663 0.81582031888716 0.87389783459237 14.007 > 12 13 N 0.10170234325337 0.31582031888716 0.12610216540763 14.007 > 1 14 N 0.10170234325337 0.18417968111284 0.37389783459237 14.007 > 2 15 N 0.25000000000000 0.25000000000000 0.37507651816941 14.007 > 3 16 N 0.25000000000000 0.25000000000000 0.12492348183059 14.007 > 4 17 N 0.00000000000000 0.50000000000000 0.37492348183059 14.007 > 5 18 N 0.50000000000000 0.50000000000000 0.12507651816941 14.007 > 6 19 N 0.85170234325337 0.06582031888716 0.12389783459237 14.007 > 7 20 N 0.85170234325337 0.43417968111284 0.37610216540763 14.007 > 8 21 N 0.64829765674663 0.06582031888716 0.37610216540763 14.007 > 9 22 N 0.64829765674663 0.43417968111284 0.12389783459237 14.007 > 10 23 N 0.39829765674663 0.18417968111284 0.12610216540763 14.007 > 11 24 N 0.39829765674663 0.31582031888716 0.37389783459237 14.007 > 12 25 N 0.60170234325337 0.81582031888716 0.12610216540763 14.007 > 1 26 N 0.60170234325337 0.68417968111284 0.37389783459237 14.007 > 2 27 N 0.75000000000000 0.75000000000000 0.37507651816941 14.007 > 3 28 N 0.75000000000000 0.75000000000000 0.12492348183059 14.007 > 4 29 N 0.50000000000000 0.00000000000000 0.37492348183059 14.007 > 5 30 N 0.00000000000000 0.00000000000000 0.12507651816941 14.007 > 6 31 N 0.35170234325337 0.56582031888716 0.12389783459237 14.007 > 7 32 N 0.35170234325337 0.93417968111284 0.37610216540763 14.007 > 8 33 N 0.14829765674663 0.56582031888716 0.37610216540763 14.007 > 9 34 N 0.14829765674663 0.93417968111284 0.12389783459237 14.007 > 10 35 N 0.89829765674663 0.68417968111284 0.12610216540763 14.007 > 11 36 N 0.89829765674663 0.81582031888716 0.37389783459237 14.007 > 12 37 N 0.60170234325337 0.31582031888716 0.62610216540763 14.007 > 1 38 N 0.60170234325337 0.18417968111284 0.87389783459237 14.007 > 2 39 N 0.75000000000000 0.25000000000000 0.87507651816941 14.007 > 3 40 N 0.75000000000000 0.25000000000000 0.62492348183059 14.007 > 4 41 N 0.50000000000000 0.50000000000000 0.87492348183059 14.007 > 5 42 N 0.00000000000000 0.50000000000000 0.62507651816941 14.007 > 6 43 N 0.35170234325337 0.06582031888716 0.62389783459237 14.007 > 7 44 N 0.35170234325337 0.43417968111284 0.87610216540763 14.007 > 8 45 N 0.14829765674663 0.06582031888716 0.87610216540763 14.007 > 9 46 N 0.14829765674663 0.43417968111284 0.62389783459237 14.007 > 10 47 N 0.89829765674663 0.18417968111284 0.62610216540763 14.007 > 11 48 N 0.89829765674663 0.31582031888716 0.87389783459237 14.007 > 12 *49 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 13 50 Sr 0.75000000000000 0.75000000000000 0.75000000000000 87.620 > 14 51 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 13 52 Sr 0.75000000000000 0.25000000000000 0.25000000000000 87.620 > 14 53 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 13 54 Sr 0.25000000000000 0.75000000000000 0.25000000000000 87.620 > 14 55 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 13 56 Sr 0.25000000000000 0.25000000000000 0.75000000000000 87.620 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.209917539999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.504331089999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.702335130000000 Atomic positions (fractional): *1 N 0.05085117162669 0.81582031888716 0.62610216540763 14.007 > 1 2 N 0.55085117162669 0.81582031888716 0.62610216540763 14.007 > 1 3 N 0.05085117162669 0.68417968111284 0.87389783459237 14.007 > 2 4 N 0.55085117162669 0.68417968111284 0.87389783459237 14.007 > 2 *5 N 0.12500000000000 0.75000000000000 0.87507651816941 14.007 > 3 6 N 0.62500000000000 0.75000000000000 0.87507651816941 14.007 > 3 7 N 0.12500000000000 0.75000000000000 0.62492348183059 14.007 > 4 8 N 0.62500000000000 0.75000000000000 0.62492348183059 14.007 > 4 9 N 0.00000000000000 0.00000000000000 0.87492348183059 14.007 > 5 10 N 0.50000000000000 0.00000000000000 0.87492348183059 14.007 > 5 11 N 0.25000000000000 0.00000000000000 0.62507651816941 14.007 > 6 12 N 0.75000000000000 0.00000000000000 0.62507651816941 14.007 > 6 13 N 0.42585117162669 0.56582031888716 0.62389783459237 14.007 > 7 14 N 0.92585117162669 0.56582031888716 0.62389783459237 14.007 > 7 15 N 0.42585117162669 0.93417968111284 0.87610216540763 14.007 > 8 16 N 0.92585117162669 0.93417968111284 0.87610216540763 14.007 > 8 17 N 0.32414882837331 0.56582031888716 0.87610216540763 14.007 > 9 18 N 0.82414882837331 0.56582031888716 0.87610216540763 14.007 > 9 19 N 0.32414882837331 0.93417968111284 0.62389783459237 14.007 > 10 20 N 0.82414882837331 0.93417968111284 0.62389783459237 14.007 > 10 21 N 0.19914882837331 0.68417968111284 0.62610216540763 14.007 > 11 22 N 0.69914882837331 0.68417968111284 0.62610216540763 14.007 > 11 23 N 0.19914882837331 0.81582031888716 0.87389783459237 14.007 > 12 24 N 0.69914882837331 0.81582031888716 0.87389783459237 14.007 > 12 25 N 0.05085117162669 0.31582031888716 0.12610216540763 14.007 > 1 26 N 0.55085117162669 0.31582031888716 0.12610216540763 14.007 > 1 27 N 0.05085117162669 0.18417968111284 0.37389783459237 14.007 > 2 28 N 0.55085117162669 0.18417968111284 0.37389783459237 14.007 > 2 29 N 0.12500000000000 0.25000000000000 0.37507651816941 14.007 > 3 30 N 0.62500000000000 0.25000000000000 0.37507651816941 14.007 > 3 31 N 0.12500000000000 0.25000000000000 0.12492348183059 14.007 > 4 32 N 0.62500000000000 0.25000000000000 0.12492348183059 14.007 > 4 33 N 0.00000000000000 0.50000000000000 0.37492348183059 14.007 > 5 34 N 0.50000000000000 0.50000000000000 0.37492348183059 14.007 > 5 35 N 0.25000000000000 0.50000000000000 0.12507651816941 14.007 > 6 36 N 0.75000000000000 0.50000000000000 0.12507651816941 14.007 > 6 37 N 0.42585117162669 0.06582031888716 0.12389783459237 14.007 > 7 38 N 0.92585117162669 0.06582031888716 0.12389783459237 14.007 > 7 39 N 0.42585117162669 0.43417968111284 0.37610216540763 14.007 > 8 40 N 0.92585117162669 0.43417968111284 0.37610216540763 14.007 > 8 41 N 0.32414882837331 0.06582031888716 0.37610216540763 14.007 > 9 42 N 0.82414882837331 0.06582031888716 0.37610216540763 14.007 > 9 43 N 0.32414882837331 0.43417968111284 0.12389783459237 14.007 > 10 44 N 0.82414882837331 0.43417968111284 0.12389783459237 14.007 > 10 45 N 0.19914882837331 0.18417968111284 0.12610216540763 14.007 > 11 46 N 0.69914882837331 0.18417968111284 0.12610216540763 14.007 > 11 47 N 0.19914882837331 0.31582031888716 0.37389783459237 14.007 > 12 48 N 0.69914882837331 0.31582031888716 0.37389783459237 14.007 > 12 49 N 0.30085117162669 0.81582031888716 0.12610216540763 14.007 > 1 50 N 0.80085117162669 0.81582031888716 0.12610216540763 14.007 > 1 51 N 0.30085117162669 0.68417968111284 0.37389783459237 14.007 > 2 52 N 0.80085117162669 0.68417968111284 0.37389783459237 14.007 > 2 53 N 0.37500000000000 0.75000000000000 0.37507651816941 14.007 > 3 54 N 0.87500000000000 0.75000000000000 0.37507651816941 14.007 > 3 55 N 0.37500000000000 0.75000000000000 0.12492348183059 14.007 > 4 56 N 0.87500000000000 0.75000000000000 0.12492348183059 14.007 > 4 57 N 0.25000000000000 0.00000000000000 0.37492348183059 14.007 > 5 58 N 0.75000000000000 0.00000000000000 0.37492348183059 14.007 > 5 59 N 0.00000000000000 0.00000000000000 0.12507651816941 14.007 > 6 60 N 0.50000000000000 0.00000000000000 0.12507651816941 14.007 > 6 61 N 0.17585117162669 0.56582031888716 0.12389783459237 14.007 > 7 62 N 0.67585117162669 0.56582031888716 0.12389783459237 14.007 > 7 63 N 0.17585117162669 0.93417968111284 0.37610216540763 14.007 > 8 64 N 0.67585117162669 0.93417968111284 0.37610216540763 14.007 > 8 65 N 0.07414882837331 0.56582031888716 0.37610216540763 14.007 > 9 66 N 0.57414882837331 0.56582031888716 0.37610216540763 14.007 > 9 67 N 0.07414882837331 0.93417968111284 0.12389783459237 14.007 > 10 68 N 0.57414882837331 0.93417968111284 0.12389783459237 14.007 > 10 69 N 0.44914882837331 0.68417968111284 0.12610216540763 14.007 > 11 70 N 0.94914882837331 0.68417968111284 0.12610216540763 14.007 > 11 71 N 0.44914882837331 0.81582031888716 0.37389783459237 14.007 > 12 72 N 0.94914882837331 0.81582031888716 0.37389783459237 14.007 > 12 73 N 0.30085117162669 0.31582031888716 0.62610216540763 14.007 > 1 74 N 0.80085117162669 0.31582031888716 0.62610216540763 14.007 > 1 75 N 0.30085117162669 0.18417968111284 0.87389783459237 14.007 > 2 76 N 0.80085117162669 0.18417968111284 0.87389783459237 14.007 > 2 77 N 0.37500000000000 0.25000000000000 0.87507651816941 14.007 > 3 78 N 0.87500000000000 0.25000000000000 0.87507651816941 14.007 > 3 79 N 0.37500000000000 0.25000000000000 0.62492348183059 14.007 > 4 80 N 0.87500000000000 0.25000000000000 0.62492348183059 14.007 > 4 81 N 0.25000000000000 0.50000000000000 0.87492348183059 14.007 > 5 82 N 0.75000000000000 0.50000000000000 0.87492348183059 14.007 > 5 83 N 0.00000000000000 0.50000000000000 0.62507651816941 14.007 > 6 84 N 0.50000000000000 0.50000000000000 0.62507651816941 14.007 > 6 85 N 0.17585117162669 0.06582031888716 0.62389783459237 14.007 > 7 86 N 0.67585117162669 0.06582031888716 0.62389783459237 14.007 > 7 87 N 0.17585117162669 0.43417968111284 0.87610216540763 14.007 > 8 88 N 0.67585117162669 0.43417968111284 0.87610216540763 14.007 > 8 89 N 0.07414882837331 0.06582031888716 0.87610216540763 14.007 > 9 90 N 0.57414882837331 0.06582031888716 0.87610216540763 14.007 > 9 91 N 0.07414882837331 0.43417968111284 0.62389783459237 14.007 > 10 92 N 0.57414882837331 0.43417968111284 0.62389783459237 14.007 > 10 93 N 0.44914882837331 0.18417968111284 0.62610216540763 14.007 > 11 94 N 0.94914882837331 0.18417968111284 0.62610216540763 14.007 > 11 95 N 0.44914882837331 0.31582031888716 0.87389783459237 14.007 > 12 96 N 0.94914882837331 0.31582031888716 0.87389783459237 14.007 > 12 *97 Sr 0.25000000000000 0.00000000000000 0.00000000000000 87.620 > 13 98 Sr 0.75000000000000 0.00000000000000 0.00000000000000 87.620 > 13 99 Sr 0.37500000000000 0.75000000000000 0.75000000000000 87.620 > 14 100 Sr 0.87500000000000 0.75000000000000 0.75000000000000 87.620 > 14 101 Sr 0.25000000000000 0.50000000000000 0.50000000000000 87.620 > 13 102 Sr 0.75000000000000 0.50000000000000 0.50000000000000 87.620 > 13 103 Sr 0.37500000000000 0.25000000000000 0.25000000000000 87.620 > 14 104 Sr 0.87500000000000 0.25000000000000 0.25000000000000 87.620 > 14 105 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 13 106 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 13 107 Sr 0.12500000000000 0.75000000000000 0.25000000000000 87.620 > 14 108 Sr 0.62500000000000 0.75000000000000 0.25000000000000 87.620 > 14 109 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 13 110 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 13 111 Sr 0.12500000000000 0.25000000000000 0.75000000000000 87.620 > 14 112 Sr 0.62500000000000 0.25000000000000 0.75000000000000 87.620 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7083412 0.0000000 0.0000000 0.0000000 3.1041207 0.0000000 0.0000000 0.0000000 2.3135360 -------------------------- Born effective charges -------------------------- 1 N -1.9211081 1.0554566 0.0632765 0.9508781 -1.3968107 0.1430864 0.1187079 0.1593803 -0.5340314 2 N -1.9211081 -1.0554566 -0.0632765 -0.9508781 -1.3968107 0.1430864 -0.1187079 0.1593803 -0.5340314 3 N 2.2013870 1.8851840 0.0000000 1.5983637 1.3825103 0.0000000 0.0000000 0.0000000 -0.0676373 4 N 2.2013870 -1.8851840 0.0000000 -1.5983637 1.3825103 0.0000000 0.0000000 0.0000000 -0.0676373 5 N 2.2013870 1.8851840 0.0000000 1.5983637 1.3825103 0.0000000 0.0000000 0.0000000 -0.0676373 6 N 2.2013870 -1.8851840 0.0000000 -1.5983637 1.3825103 0.0000000 0.0000000 0.0000000 -0.0676373 7 N -1.9211081 1.0554566 -0.0632765 0.9508781 -1.3968107 -0.1430864 -0.1187079 -0.1593803 -0.5340314 8 N -1.9211081 -1.0554566 0.0632765 -0.9508781 -1.3968107 -0.1430864 0.1187079 -0.1593803 -0.5340314 9 N -1.9211081 -1.0554566 -0.0632765 -0.9508781 -1.3968107 0.1430864 -0.1187079 0.1593803 -0.5340314 10 N -1.9211081 1.0554566 0.0632765 0.9508781 -1.3968107 0.1430864 0.1187079 0.1593803 -0.5340314 11 N -1.9211081 1.0554566 -0.0632765 0.9508781 -1.3968107 -0.1430864 -0.1187079 -0.1593803 -0.5340314 12 N -1.9211081 -1.0554566 0.0632765 -0.9508781 -1.3968107 -0.1430864 0.1187079 -0.1593803 -0.5340314 13 Sr 3.2816583 0.0000000 0.0000000 0.0000000 2.8222222 0.0000000 0.0000000 0.0000000 2.2714004 14 Sr 3.2816583 0.0000000 0.0000000 0.0000000 2.8222222 0.0000000 0.0000000 0.0000000 2.2714004 ---------------------------------------------------------------------------- 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: 11094/11094 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): 0.006 Solver_block: 100 / 240 - Time: 1.113 Solver_block: 200 / 240 - Time: 1.125 Solver_block: 240 / 240 - Time: 0.491 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.752 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 11094/11094 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 (xx) -0.00000000 (xx) 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 19:03:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:03:50]------------------------- 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 5.752165545000000 5.851167565000000 b 3.052479384999999 0.000000000000000 5.851167565000000 c 3.052479384999999 5.752165545000000 0.000000000000000 Atomic positions (fractional): 1 N 0.34022014104141 0.91198418977384 0.29142049673291 14.007 2 N 0.45637517245184 0.29142049673291 0.91198418977384 14.007 3 N 0.37507651816941 0.37507651816941 0.12492348183059 14.007 4 N 0.12492348183059 0.12492348183059 0.37507651816941 14.007 5 N 0.87492348183059 0.87492348183059 0.12507651816941 14.007 6 N 0.12507651816941 0.12507651816941 0.87492348183059 14.007 7 N 0.33801581022616 0.90977985895859 0.79362482754816 14.007 8 N 0.95857950326709 0.79362482754816 0.90977985895859 14.007 9 N 0.79362482754816 0.95857950326709 0.33801581022616 14.007 10 N 0.90977985895859 0.33801581022616 0.95857950326709 14.007 11 N 0.91198418977384 0.34022014104141 0.45637517245184 14.007 12 N 0.29142049673291 0.45637517245184 0.34022014104141 14.007 13 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 14 Sr 0.75000000000000 0.75000000000000 0.75000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.209917539999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.504331089999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.702335130000000 Atomic positions (fractional): 1 N 0.05085117162669 0.81582031888716 0.62610216540763 14.007 > 1 2 N 0.55085117162669 0.81582031888716 0.62610216540763 14.007 > 1 3 N 0.05085117162669 0.68417968111284 0.87389783459237 14.007 > 3 4 N 0.55085117162669 0.68417968111284 0.87389783459237 14.007 > 3 5 N 0.12500000000000 0.75000000000000 0.87507651816941 14.007 > 5 6 N 0.62500000000000 0.75000000000000 0.87507651816941 14.007 > 5 7 N 0.12500000000000 0.75000000000000 0.62492348183059 14.007 > 7 8 N 0.62500000000000 0.75000000000000 0.62492348183059 14.007 > 7 9 N 0.00000000000000 0.00000000000000 0.87492348183059 14.007 > 9 10 N 0.50000000000000 0.00000000000000 0.87492348183059 14.007 > 9 11 N 0.25000000000000 0.00000000000000 0.62507651816941 14.007 > 11 12 N 0.75000000000000 0.00000000000000 0.62507651816941 14.007 > 11 13 N 0.42585117162669 0.56582031888716 0.62389783459237 14.007 > 13 14 N 0.92585117162669 0.56582031888716 0.62389783459237 14.007 > 13 15 N 0.42585117162669 0.93417968111284 0.87610216540763 14.007 > 15 16 N 0.92585117162669 0.93417968111284 0.87610216540763 14.007 > 15 17 N 0.32414882837331 0.56582031888716 0.87610216540763 14.007 > 17 18 N 0.82414882837331 0.56582031888716 0.87610216540763 14.007 > 17 19 N 0.32414882837331 0.93417968111284 0.62389783459237 14.007 > 19 20 N 0.82414882837331 0.93417968111284 0.62389783459237 14.007 > 19 21 N 0.19914882837331 0.68417968111284 0.62610216540763 14.007 > 21 22 N 0.69914882837331 0.68417968111284 0.62610216540763 14.007 > 21 23 N 0.19914882837331 0.81582031888716 0.87389783459237 14.007 > 23 24 N 0.69914882837331 0.81582031888716 0.87389783459237 14.007 > 23 25 N 0.05085117162669 0.31582031888716 0.12610216540763 14.007 > 1 26 N 0.55085117162669 0.31582031888716 0.12610216540763 14.007 > 1 27 N 0.05085117162669 0.18417968111284 0.37389783459237 14.007 > 3 28 N 0.55085117162669 0.18417968111284 0.37389783459237 14.007 > 3 29 N 0.12500000000000 0.25000000000000 0.37507651816941 14.007 > 5 30 N 0.62500000000000 0.25000000000000 0.37507651816941 14.007 > 5 31 N 0.12500000000000 0.25000000000000 0.12492348183059 14.007 > 7 32 N 0.62500000000000 0.25000000000000 0.12492348183059 14.007 > 7 33 N 0.00000000000000 0.50000000000000 0.37492348183059 14.007 > 9 34 N 0.50000000000000 0.50000000000000 0.37492348183059 14.007 > 9 35 N 0.25000000000000 0.50000000000000 0.12507651816941 14.007 > 11 36 N 0.75000000000000 0.50000000000000 0.12507651816941 14.007 > 11 37 N 0.42585117162669 0.06582031888716 0.12389783459237 14.007 > 13 38 N 0.92585117162669 0.06582031888716 0.12389783459237 14.007 > 13 39 N 0.42585117162669 0.43417968111284 0.37610216540763 14.007 > 15 40 N 0.92585117162669 0.43417968111284 0.37610216540763 14.007 > 15 41 N 0.32414882837331 0.06582031888716 0.37610216540763 14.007 > 17 42 N 0.82414882837331 0.06582031888716 0.37610216540763 14.007 > 17 43 N 0.32414882837331 0.43417968111284 0.12389783459237 14.007 > 19 44 N 0.82414882837331 0.43417968111284 0.12389783459237 14.007 > 19 45 N 0.19914882837331 0.18417968111284 0.12610216540763 14.007 > 21 46 N 0.69914882837331 0.18417968111284 0.12610216540763 14.007 > 21 47 N 0.19914882837331 0.31582031888716 0.37389783459237 14.007 > 23 48 N 0.69914882837331 0.31582031888716 0.37389783459237 14.007 > 23 49 N 0.30085117162669 0.81582031888716 0.12610216540763 14.007 > 1 50 N 0.80085117162669 0.81582031888716 0.12610216540763 14.007 > 1 51 N 0.30085117162669 0.68417968111284 0.37389783459237 14.007 > 3 52 N 0.80085117162669 0.68417968111284 0.37389783459237 14.007 > 3 53 N 0.37500000000000 0.75000000000000 0.37507651816941 14.007 > 5 54 N 0.87500000000000 0.75000000000000 0.37507651816941 14.007 > 5 55 N 0.37500000000000 0.75000000000000 0.12492348183059 14.007 > 7 56 N 0.87500000000000 0.75000000000000 0.12492348183059 14.007 > 7 57 N 0.25000000000000 0.00000000000000 0.37492348183059 14.007 > 9 58 N 0.75000000000000 0.00000000000000 0.37492348183059 14.007 > 9 59 N 0.00000000000000 0.00000000000000 0.12507651816941 14.007 > 11 60 N 0.50000000000000 0.00000000000000 0.12507651816941 14.007 > 11 61 N 0.17585117162669 0.56582031888716 0.12389783459237 14.007 > 13 62 N 0.67585117162669 0.56582031888716 0.12389783459237 14.007 > 13 63 N 0.17585117162669 0.93417968111284 0.37610216540763 14.007 > 15 64 N 0.67585117162669 0.93417968111284 0.37610216540763 14.007 > 15 65 N 0.07414882837331 0.56582031888716 0.37610216540763 14.007 > 17 66 N 0.57414882837331 0.56582031888716 0.37610216540763 14.007 > 17 67 N 0.07414882837331 0.93417968111284 0.12389783459237 14.007 > 19 68 N 0.57414882837331 0.93417968111284 0.12389783459237 14.007 > 19 69 N 0.44914882837331 0.68417968111284 0.12610216540763 14.007 > 21 70 N 0.94914882837331 0.68417968111284 0.12610216540763 14.007 > 21 71 N 0.44914882837331 0.81582031888716 0.37389783459237 14.007 > 23 72 N 0.94914882837331 0.81582031888716 0.37389783459237 14.007 > 23 73 N 0.30085117162669 0.31582031888716 0.62610216540763 14.007 > 1 74 N 0.80085117162669 0.31582031888716 0.62610216540763 14.007 > 1 75 N 0.30085117162669 0.18417968111284 0.87389783459237 14.007 > 3 76 N 0.80085117162669 0.18417968111284 0.87389783459237 14.007 > 3 77 N 0.37500000000000 0.25000000000000 0.87507651816941 14.007 > 5 78 N 0.87500000000000 0.25000000000000 0.87507651816941 14.007 > 5 79 N 0.37500000000000 0.25000000000000 0.62492348183059 14.007 > 7 80 N 0.87500000000000 0.25000000000000 0.62492348183059 14.007 > 7 81 N 0.25000000000000 0.50000000000000 0.87492348183059 14.007 > 9 82 N 0.75000000000000 0.50000000000000 0.87492348183059 14.007 > 9 83 N 0.00000000000000 0.50000000000000 0.62507651816941 14.007 > 11 84 N 0.50000000000000 0.50000000000000 0.62507651816941 14.007 > 11 85 N 0.17585117162669 0.06582031888716 0.62389783459237 14.007 > 13 86 N 0.67585117162669 0.06582031888716 0.62389783459237 14.007 > 13 87 N 0.17585117162669 0.43417968111284 0.87610216540763 14.007 > 15 88 N 0.67585117162669 0.43417968111284 0.87610216540763 14.007 > 15 89 N 0.07414882837331 0.06582031888716 0.87610216540763 14.007 > 17 90 N 0.57414882837331 0.06582031888716 0.87610216540763 14.007 > 17 91 N 0.07414882837331 0.43417968111284 0.62389783459237 14.007 > 19 92 N 0.57414882837331 0.43417968111284 0.62389783459237 14.007 > 19 93 N 0.44914882837331 0.18417968111284 0.62610216540763 14.007 > 21 94 N 0.94914882837331 0.18417968111284 0.62610216540763 14.007 > 21 95 N 0.44914882837331 0.31582031888716 0.87389783459237 14.007 > 23 96 N 0.94914882837331 0.31582031888716 0.87389783459237 14.007 > 23 97 Sr 0.25000000000000 0.00000000000000 0.00000000000000 87.620 > 97 98 Sr 0.75000000000000 0.00000000000000 0.00000000000000 87.620 > 97 99 Sr 0.37500000000000 0.75000000000000 0.75000000000000 87.620 > 99 100 Sr 0.87500000000000 0.75000000000000 0.75000000000000 87.620 > 99 101 Sr 0.25000000000000 0.50000000000000 0.50000000000000 87.620 > 97 102 Sr 0.75000000000000 0.50000000000000 0.50000000000000 87.620 > 97 103 Sr 0.37500000000000 0.25000000000000 0.25000000000000 87.620 > 99 104 Sr 0.87500000000000 0.25000000000000 0.25000000000000 87.620 > 99 105 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 97 106 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 97 107 Sr 0.12500000000000 0.75000000000000 0.25000000000000 87.620 > 99 108 Sr 0.62500000000000 0.75000000000000 0.25000000000000 87.620 > 99 109 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 97 110 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 97 111 Sr 0.12500000000000 0.25000000000000 0.75000000000000 87.620 > 99 112 Sr 0.62500000000000 0.25000000000000 0.75000000000000 87.620 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7083412 0.0000000 0.0000000 0.0000000 3.1041207 0.0000000 0.0000000 0.0000000 2.3135360 -------------------------- Born effective charges -------------------------- 1 N -1.9211081 1.0554566 0.0632765 0.9508781 -1.3968107 0.1430864 0.1187079 0.1593803 -0.5340314 2 N -1.9211081 -1.0554566 -0.0632765 -0.9508781 -1.3968107 0.1430864 -0.1187079 0.1593803 -0.5340314 3 N 2.2013870 1.8851840 0.0000000 1.5983637 1.3825103 0.0000000 0.0000000 0.0000000 -0.0676373 4 N 2.2013870 -1.8851840 0.0000000 -1.5983637 1.3825103 0.0000000 0.0000000 0.0000000 -0.0676373 5 N 2.2013870 1.8851840 0.0000000 1.5983637 1.3825103 0.0000000 0.0000000 0.0000000 -0.0676373 6 N 2.2013870 -1.8851840 0.0000000 -1.5983637 1.3825103 0.0000000 0.0000000 0.0000000 -0.0676373 7 N -1.9211081 1.0554566 -0.0632765 0.9508781 -1.3968107 -0.1430864 -0.1187079 -0.1593803 -0.5340314 8 N -1.9211081 -1.0554566 0.0632765 -0.9508781 -1.3968107 -0.1430864 0.1187079 -0.1593803 -0.5340314 9 N -1.9211081 -1.0554566 -0.0632765 -0.9508781 -1.3968107 0.1430864 -0.1187079 0.1593803 -0.5340314 10 N -1.9211081 1.0554566 0.0632765 0.9508781 -1.3968107 0.1430864 0.1187079 0.1593803 -0.5340314 11 N -1.9211081 1.0554566 -0.0632765 0.9508781 -1.3968107 -0.1430864 -0.1187079 -0.1593803 -0.5340314 12 N -1.9211081 -1.0554566 0.0632765 -0.9508781 -1.3968107 -0.1430864 0.1187079 -0.1593803 -0.5340314 13 Sr 3.2816583 0.0000000 0.0000000 0.0000000 2.8222222 0.0000000 0.0000000 0.0000000 2.2714004 14 Sr 3.2816583 0.0000000 0.0000000 0.0000000 2.8222222 0.0000000 0.0000000 0.0000000 2.2714004 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000011 (zxy) -0.00000011 (zxy) -0.00000011 (zyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xy) -0.00000002 (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 19:04:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:04:02]------------------------- 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 5.752165545000000 5.851167565000000 b 3.052479384999999 0.000000000000000 5.851167565000000 c 3.052479384999999 5.752165545000000 0.000000000000000 Atomic positions (fractional): 1 N 0.34022014104141 0.91198418977384 0.29142049673291 14.007 2 N 0.45637517245184 0.29142049673291 0.91198418977384 14.007 3 N 0.37507651816941 0.37507651816941 0.12492348183059 14.007 4 N 0.12492348183059 0.12492348183059 0.37507651816941 14.007 5 N 0.87492348183059 0.87492348183059 0.12507651816941 14.007 6 N 0.12507651816941 0.12507651816941 0.87492348183059 14.007 7 N 0.33801581022616 0.90977985895859 0.79362482754816 14.007 8 N 0.95857950326709 0.79362482754816 0.90977985895859 14.007 9 N 0.79362482754816 0.95857950326709 0.33801581022616 14.007 10 N 0.90977985895859 0.33801581022616 0.95857950326709 14.007 11 N 0.91198418977384 0.34022014104141 0.45637517245184 14.007 12 N 0.29142049673291 0.45637517245184 0.34022014104141 14.007 13 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 14 Sr 0.75000000000000 0.75000000000000 0.75000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.209917539999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.504331089999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.702335130000000 Atomic positions (fractional): 1 N 0.05085117162669 0.81582031888716 0.62610216540763 14.007 > 1 2 N 0.55085117162669 0.81582031888716 0.62610216540763 14.007 > 1 3 N 0.05085117162669 0.68417968111284 0.87389783459237 14.007 > 3 4 N 0.55085117162669 0.68417968111284 0.87389783459237 14.007 > 3 5 N 0.12500000000000 0.75000000000000 0.87507651816941 14.007 > 5 6 N 0.62500000000000 0.75000000000000 0.87507651816941 14.007 > 5 7 N 0.12500000000000 0.75000000000000 0.62492348183059 14.007 > 7 8 N 0.62500000000000 0.75000000000000 0.62492348183059 14.007 > 7 9 N 0.00000000000000 0.00000000000000 0.87492348183059 14.007 > 9 10 N 0.50000000000000 0.00000000000000 0.87492348183059 14.007 > 9 11 N 0.25000000000000 0.00000000000000 0.62507651816941 14.007 > 11 12 N 0.75000000000000 0.00000000000000 0.62507651816941 14.007 > 11 13 N 0.42585117162669 0.56582031888716 0.62389783459237 14.007 > 13 14 N 0.92585117162669 0.56582031888716 0.62389783459237 14.007 > 13 15 N 0.42585117162669 0.93417968111284 0.87610216540763 14.007 > 15 16 N 0.92585117162669 0.93417968111284 0.87610216540763 14.007 > 15 17 N 0.32414882837331 0.56582031888716 0.87610216540763 14.007 > 17 18 N 0.82414882837331 0.56582031888716 0.87610216540763 14.007 > 17 19 N 0.32414882837331 0.93417968111284 0.62389783459237 14.007 > 19 20 N 0.82414882837331 0.93417968111284 0.62389783459237 14.007 > 19 21 N 0.19914882837331 0.68417968111284 0.62610216540763 14.007 > 21 22 N 0.69914882837331 0.68417968111284 0.62610216540763 14.007 > 21 23 N 0.19914882837331 0.81582031888716 0.87389783459237 14.007 > 23 24 N 0.69914882837331 0.81582031888716 0.87389783459237 14.007 > 23 25 N 0.05085117162669 0.31582031888716 0.12610216540763 14.007 > 1 26 N 0.55085117162669 0.31582031888716 0.12610216540763 14.007 > 1 27 N 0.05085117162669 0.18417968111284 0.37389783459237 14.007 > 3 28 N 0.55085117162669 0.18417968111284 0.37389783459237 14.007 > 3 29 N 0.12500000000000 0.25000000000000 0.37507651816941 14.007 > 5 30 N 0.62500000000000 0.25000000000000 0.37507651816941 14.007 > 5 31 N 0.12500000000000 0.25000000000000 0.12492348183059 14.007 > 7 32 N 0.62500000000000 0.25000000000000 0.12492348183059 14.007 > 7 33 N 0.00000000000000 0.50000000000000 0.37492348183059 14.007 > 9 34 N 0.50000000000000 0.50000000000000 0.37492348183059 14.007 > 9 35 N 0.25000000000000 0.50000000000000 0.12507651816941 14.007 > 11 36 N 0.75000000000000 0.50000000000000 0.12507651816941 14.007 > 11 37 N 0.42585117162669 0.06582031888716 0.12389783459237 14.007 > 13 38 N 0.92585117162669 0.06582031888716 0.12389783459237 14.007 > 13 39 N 0.42585117162669 0.43417968111284 0.37610216540763 14.007 > 15 40 N 0.92585117162669 0.43417968111284 0.37610216540763 14.007 > 15 41 N 0.32414882837331 0.06582031888716 0.37610216540763 14.007 > 17 42 N 0.82414882837331 0.06582031888716 0.37610216540763 14.007 > 17 43 N 0.32414882837331 0.43417968111284 0.12389783459237 14.007 > 19 44 N 0.82414882837331 0.43417968111284 0.12389783459237 14.007 > 19 45 N 0.19914882837331 0.18417968111284 0.12610216540763 14.007 > 21 46 N 0.69914882837331 0.18417968111284 0.12610216540763 14.007 > 21 47 N 0.19914882837331 0.31582031888716 0.37389783459237 14.007 > 23 48 N 0.69914882837331 0.31582031888716 0.37389783459237 14.007 > 23 49 N 0.30085117162669 0.81582031888716 0.12610216540763 14.007 > 1 50 N 0.80085117162669 0.81582031888716 0.12610216540763 14.007 > 1 51 N 0.30085117162669 0.68417968111284 0.37389783459237 14.007 > 3 52 N 0.80085117162669 0.68417968111284 0.37389783459237 14.007 > 3 53 N 0.37500000000000 0.75000000000000 0.37507651816941 14.007 > 5 54 N 0.87500000000000 0.75000000000000 0.37507651816941 14.007 > 5 55 N 0.37500000000000 0.75000000000000 0.12492348183059 14.007 > 7 56 N 0.87500000000000 0.75000000000000 0.12492348183059 14.007 > 7 57 N 0.25000000000000 0.00000000000000 0.37492348183059 14.007 > 9 58 N 0.75000000000000 0.00000000000000 0.37492348183059 14.007 > 9 59 N 0.00000000000000 0.00000000000000 0.12507651816941 14.007 > 11 60 N 0.50000000000000 0.00000000000000 0.12507651816941 14.007 > 11 61 N 0.17585117162669 0.56582031888716 0.12389783459237 14.007 > 13 62 N 0.67585117162669 0.56582031888716 0.12389783459237 14.007 > 13 63 N 0.17585117162669 0.93417968111284 0.37610216540763 14.007 > 15 64 N 0.67585117162669 0.93417968111284 0.37610216540763 14.007 > 15 65 N 0.07414882837331 0.56582031888716 0.37610216540763 14.007 > 17 66 N 0.57414882837331 0.56582031888716 0.37610216540763 14.007 > 17 67 N 0.07414882837331 0.93417968111284 0.12389783459237 14.007 > 19 68 N 0.57414882837331 0.93417968111284 0.12389783459237 14.007 > 19 69 N 0.44914882837331 0.68417968111284 0.12610216540763 14.007 > 21 70 N 0.94914882837331 0.68417968111284 0.12610216540763 14.007 > 21 71 N 0.44914882837331 0.81582031888716 0.37389783459237 14.007 > 23 72 N 0.94914882837331 0.81582031888716 0.37389783459237 14.007 > 23 73 N 0.30085117162669 0.31582031888716 0.62610216540763 14.007 > 1 74 N 0.80085117162669 0.31582031888716 0.62610216540763 14.007 > 1 75 N 0.30085117162669 0.18417968111284 0.87389783459237 14.007 > 3 76 N 0.80085117162669 0.18417968111284 0.87389783459237 14.007 > 3 77 N 0.37500000000000 0.25000000000000 0.87507651816941 14.007 > 5 78 N 0.87500000000000 0.25000000000000 0.87507651816941 14.007 > 5 79 N 0.37500000000000 0.25000000000000 0.62492348183059 14.007 > 7 80 N 0.87500000000000 0.25000000000000 0.62492348183059 14.007 > 7 81 N 0.25000000000000 0.50000000000000 0.87492348183059 14.007 > 9 82 N 0.75000000000000 0.50000000000000 0.87492348183059 14.007 > 9 83 N 0.00000000000000 0.50000000000000 0.62507651816941 14.007 > 11 84 N 0.50000000000000 0.50000000000000 0.62507651816941 14.007 > 11 85 N 0.17585117162669 0.06582031888716 0.62389783459237 14.007 > 13 86 N 0.67585117162669 0.06582031888716 0.62389783459237 14.007 > 13 87 N 0.17585117162669 0.43417968111284 0.87610216540763 14.007 > 15 88 N 0.67585117162669 0.43417968111284 0.87610216540763 14.007 > 15 89 N 0.07414882837331 0.06582031888716 0.87610216540763 14.007 > 17 90 N 0.57414882837331 0.06582031888716 0.87610216540763 14.007 > 17 91 N 0.07414882837331 0.43417968111284 0.62389783459237 14.007 > 19 92 N 0.57414882837331 0.43417968111284 0.62389783459237 14.007 > 19 93 N 0.44914882837331 0.18417968111284 0.62610216540763 14.007 > 21 94 N 0.94914882837331 0.18417968111284 0.62610216540763 14.007 > 21 95 N 0.44914882837331 0.31582031888716 0.87389783459237 14.007 > 23 96 N 0.94914882837331 0.31582031888716 0.87389783459237 14.007 > 23 97 Sr 0.25000000000000 0.00000000000000 0.00000000000000 87.620 > 97 98 Sr 0.75000000000000 0.00000000000000 0.00000000000000 87.620 > 97 99 Sr 0.37500000000000 0.75000000000000 0.75000000000000 87.620 > 99 100 Sr 0.87500000000000 0.75000000000000 0.75000000000000 87.620 > 99 101 Sr 0.25000000000000 0.50000000000000 0.50000000000000 87.620 > 97 102 Sr 0.75000000000000 0.50000000000000 0.50000000000000 87.620 > 97 103 Sr 0.37500000000000 0.25000000000000 0.25000000000000 87.620 > 99 104 Sr 0.87500000000000 0.25000000000000 0.25000000000000 87.620 > 99 105 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 97 106 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 97 107 Sr 0.12500000000000 0.75000000000000 0.25000000000000 87.620 > 99 108 Sr 0.62500000000000 0.75000000000000 0.25000000000000 87.620 > 99 109 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 97 110 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 97 111 Sr 0.12500000000000 0.25000000000000 0.75000000000000 87.620 > 99 112 Sr 0.62500000000000 0.25000000000000 0.75000000000000 87.620 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7083412 0.0000000 0.0000000 0.0000000 3.1041207 0.0000000 0.0000000 0.0000000 2.3135360 -------------------------- Born effective charges -------------------------- 1 N -1.9211081 1.0554566 0.0632765 0.9508781 -1.3968107 0.1430864 0.1187079 0.1593803 -0.5340314 2 N -1.9211081 -1.0554566 -0.0632765 -0.9508781 -1.3968107 0.1430864 -0.1187079 0.1593803 -0.5340314 3 N 2.2013870 1.8851840 0.0000000 1.5983637 1.3825103 0.0000000 0.0000000 0.0000000 -0.0676373 4 N 2.2013870 -1.8851840 0.0000000 -1.5983637 1.3825103 0.0000000 0.0000000 0.0000000 -0.0676373 5 N 2.2013870 1.8851840 0.0000000 1.5983637 1.3825103 0.0000000 0.0000000 0.0000000 -0.0676373 6 N 2.2013870 -1.8851840 0.0000000 -1.5983637 1.3825103 0.0000000 0.0000000 0.0000000 -0.0676373 7 N -1.9211081 1.0554566 -0.0632765 0.9508781 -1.3968107 -0.1430864 -0.1187079 -0.1593803 -0.5340314 8 N -1.9211081 -1.0554566 0.0632765 -0.9508781 -1.3968107 -0.1430864 0.1187079 -0.1593803 -0.5340314 9 N -1.9211081 -1.0554566 -0.0632765 -0.9508781 -1.3968107 0.1430864 -0.1187079 0.1593803 -0.5340314 10 N -1.9211081 1.0554566 0.0632765 0.9508781 -1.3968107 0.1430864 0.1187079 0.1593803 -0.5340314 11 N -1.9211081 1.0554566 -0.0632765 0.9508781 -1.3968107 -0.1430864 -0.1187079 -0.1593803 -0.5340314 12 N -1.9211081 -1.0554566 0.0632765 -0.9508781 -1.3968107 -0.1430864 0.1187079 -0.1593803 -0.5340314 13 Sr 3.2816583 0.0000000 0.0000000 0.0000000 2.8222222 0.0000000 0.0000000 0.0000000 2.2714004 14 Sr 3.2816583 0.0000000 0.0000000 0.0000000 2.8222222 0.0000000 0.0000000 0.0000000 2.2714004 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000011 (zxy) -0.00000011 (zxy) -0.00000011 (zyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 10 10 10 ] 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: 0.70, Number of G-points: 309, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 171 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 1.861 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 -0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.307 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.575 ( 0.000 0.000 -0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.339 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.584 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 5.675 ( 0.000 0.000 0.000) 0.000 5.990 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 0.000) 0.000 7.037 ( 0.000 0.000 0.000) 0.000 8.466 ( 0.000 0.000 0.000) 0.000 18.907 ( 0.000 0.000 0.000) 0.000 18.920 ( 0.000 0.000 -0.000) 0.000 18.943 ( 0.000 0.000 0.000) 0.000 19.003 ( 0.000 0.000 0.000) 0.000 19.260 ( 0.000 0.000 0.000) 0.000 19.353 ( 0.000 0.000 0.000) 0.000 19.368 ( 0.000 0.000 0.000) 0.000 19.400 ( 0.000 0.000 0.000) 0.000 42.316 ( 0.000 0.000 0.000) 0.000 42.335 ( 0.000 0.000 -0.000) 0.000 42.436 ( 0.000 0.000 0.000) 0.000 42.465 ( 0.000 0.000 0.000) 0.000 65.598 ( 0.000 0.000 0.000) 0.000 66.817 ( 0.000 0.000 0.000) 0.000 67.132 ( 0.000 0.000 0.000) 0.000 67.431 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -13.201 11.482 16.865) 24.301 0.731 ( -32.150 8.772 7.433) 34.144 1.134 ( -47.477 23.446 8.118) 53.570 1.928 ( -4.373 1.951 5.038) 6.950 2.074 ( -13.703 8.500 0.370) 16.129 3.279 ( -4.851 -1.955 -4.812) 7.107 3.352 ( 1.467 5.400 1.336) 5.753 4.096 ( 5.183 -0.683 1.274) 5.381 4.226 ( 9.155 -6.987 6.896) 13.423 4.300 ( 2.591 1.742 1.560) 3.491 4.340 ( 0.108 2.052 0.046) 2.056 4.564 ( 2.532 -0.194 2.818) 3.794 4.717 ( 2.407 8.103 0.099) 8.453 4.939 ( 1.397 -2.204 1.454) 2.987 5.409 ( -7.321 0.346 0.025) 7.329 5.532 ( 11.508 -1.839 -0.929) 11.691 5.564 ( 5.215 -1.848 -1.316) 5.687 5.591 ( 0.969 0.124 -0.630) 1.162 5.920 ( 3.383 -2.201 -2.822) 4.925 6.108 ( -4.853 0.456 -4.079) 6.356 6.537 ( -18.686 -18.912 -4.404) 26.948 6.737 ( 3.480 -0.522 3.477) 4.947 6.954 ( -6.135 3.422 -14.957) 16.525 7.046 ( -1.311 -2.246 2.270) 3.452 7.766 ( 7.998 1.520 -0.045) 8.141 8.420 ( 3.427 -2.858 -1.076) 4.590 18.922 ( -0.433 -0.437 0.126) 0.627 18.928 ( -0.761 -0.524 -0.132) 0.934 18.974 ( -0.380 3.072 -2.104) 3.743 19.032 ( 2.246 0.772 3.830) 4.507 19.260 ( 0.090 0.172 0.020) 0.195 19.348 ( 0.442 -0.152 -0.097) 0.477 19.366 ( 0.087 -0.766 0.031) 0.772 19.396 ( 0.296 -0.159 -0.034) 0.338 42.329 ( -1.467 -0.441 0.060) 1.534 42.351 ( -1.661 0.730 0.009) 1.814 42.414 ( 2.852 -1.033 0.025) 3.034 42.458 ( 0.696 2.113 -0.643) 2.316 65.641 ( -3.419 2.123 1.105) 4.173 66.794 ( 3.160 3.331 -2.408) 5.184 67.369 ( -4.218 -11.910 0.325) 12.639 68.865 ( -26.311 -5.735 -45.986) 53.290 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -13.009 11.229 15.011) 22.818 1.302 ( -22.774 4.300 7.586) 24.387 1.983 ( -21.826 21.347 6.913) 31.303 2.100 ( -6.425 3.582 6.878) 10.071 2.545 ( -31.581 11.851 0.660) 33.738 3.253 ( -0.602 -3.773 -6.548) 7.582 3.407 ( 0.177 6.284 -1.309) 6.421 3.925 ( 12.193 -9.080 3.749) 15.658 4.062 ( 9.268 -2.742 5.043) 10.902 4.303 ( 1.313 6.238 1.575) 6.567 4.341 ( 2.129 7.275 -5.047) 9.107 4.545 ( 3.897 -0.406 5.307) 6.596 4.830 ( -7.812 -3.538 -0.009) 8.576 4.923 ( -4.223 -1.628 3.605) 5.786 5.211 ( 22.614 0.815 -1.197) 22.661 5.431 ( 5.249 -5.954 -3.066) 8.509 5.547 ( -7.185 0.264 -1.164) 7.284 5.575 ( -0.899 0.163 -1.520) 1.774 5.829 ( 3.058 -1.174 -2.082) 3.881 6.149 ( -4.852 1.528 -7.239) 8.848 6.638 ( -6.462 1.576 -4.472) 8.015 6.709 ( 3.858 -1.280 6.808) 7.929 6.956 ( -5.058 -5.066 -4.623) 8.522 7.081 ( -3.059 -2.480 2.134) 4.479 7.596 ( 8.989 -5.643 -1.962) 10.793 8.294 ( 5.857 -5.032 -2.045) 7.989 18.928 ( -0.467 -0.264 0.195) 0.571 18.936 ( -0.394 0.245 0.201) 0.505 18.991 ( -0.578 1.374 -0.589) 1.602 19.041 ( 0.457 1.903 1.156) 2.273 19.260 ( 0.136 0.304 0.055) 0.337 19.335 ( 0.672 -0.254 -0.186) 0.742 19.346 ( 0.835 -2.118 0.023) 2.277 19.393 ( -0.005 0.257 -0.012) 0.257 42.339 ( 3.427 -2.144 -0.047) 4.043 42.354 ( -2.021 -1.015 0.213) 2.272 42.393 ( -1.819 1.237 0.074) 2.201 42.467 ( 0.989 4.294 -1.188) 4.563 65.754 ( -5.584 3.212 1.621) 6.643 66.744 ( 4.778 7.534 -4.028) 9.789 67.320 ( -0.980 -10.775 1.330) 10.901 68.851 ( -12.492 -4.711 -20.938) 24.832 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -12.398 10.068 12.152) 20.068 1.697 ( -15.467 2.169 5.826) 16.670 2.282 ( -5.262 1.920 6.035) 8.234 2.403 ( -6.075 15.124 5.654) 17.252 3.045 ( -6.257 -3.322 -11.162) 13.220 3.229 ( -16.141 8.229 0.571) 18.127 3.378 ( 6.391 5.887 -1.775) 8.868 3.654 ( 12.838 -11.384 7.205) 18.610 4.044 ( -2.552 -0.015 5.348) 5.925 4.327 ( 1.104 6.761 -5.824) 8.991 4.464 ( -5.757 14.828 4.032) 16.410 4.521 ( 3.827 2.330 4.524) 6.367 4.797 ( 9.217 -5.318 -1.319) 10.723 4.822 ( 12.272 0.456 -1.708) 12.399 5.161 ( -10.315 -1.663 4.222) 11.269 5.254 ( 2.455 -9.159 -2.414) 9.785 5.530 ( 0.979 -0.382 -3.077) 3.252 5.678 ( -6.495 0.622 -1.250) 6.644 5.765 ( 2.605 -0.328 -0.816) 2.749 6.175 ( -4.088 2.605 -7.084) 8.584 6.678 ( -0.632 4.089 -6.202) 7.455 6.707 ( 2.605 -1.938 7.980) 8.615 6.945 ( -3.131 -7.884 -1.416) 8.600 7.117 ( -1.997 -4.384 0.322) 4.829 7.373 ( 8.750 -5.135 -0.663) 10.167 8.123 ( 6.199 -5.826 -2.656) 8.912 18.934 ( -0.285 -0.065 0.099) 0.309 18.948 ( -0.440 0.328 0.384) 0.670 19.001 ( -0.078 0.074 0.139) 0.176 19.075 ( -0.936 3.516 -0.013) 3.639 19.262 ( 0.111 0.353 0.101) 0.384 19.304 ( 1.421 -3.011 0.053) 3.330 19.321 ( 0.632 -0.328 -0.237) 0.750 19.397 ( -0.138 0.294 0.003) 0.325 42.279 ( 1.357 -1.610 0.032) 2.106 42.386 ( -2.390 -0.827 0.276) 2.544 42.417 ( 0.323 0.723 0.071) 0.795 42.476 ( 1.122 4.300 -1.405) 4.661 65.885 ( -5.125 2.235 1.303) 5.741 66.721 ( 3.626 12.944 -4.723) 14.248 67.236 ( 0.499 -13.282 2.740) 13.571 68.837 ( -7.127 -3.748 -11.159) 13.761 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -9.869 7.444 7.428) 14.422 1.957 ( -9.892 1.209 3.493) 10.560 2.380 ( -1.045 -0.226 2.675) 2.881 2.587 ( 0.868 8.539 6.051) 10.501 2.845 ( 4.085 -6.727 -12.015) 14.363 3.252 ( 8.969 -1.763 -0.920) 9.187 3.488 ( -4.859 1.180 2.052) 5.405 3.697 ( -10.345 6.984 7.365) 14.493 4.129 ( -0.551 1.850 1.173) 2.259 4.315 ( 9.986 9.242 -5.660) 14.736 4.396 ( 3.420 -3.400 1.492) 5.048 4.584 ( 3.492 0.579 2.164) 4.148 4.764 ( -1.265 -0.483 -4.171) 4.385 4.846 ( -11.901 14.103 7.140) 19.787 5.036 ( 4.239 -8.466 -4.323) 10.408 5.344 ( -2.981 -6.237 3.991) 7.982 5.482 ( 1.128 -0.599 -2.308) 2.638 5.717 ( 0.436 -1.407 -0.896) 1.724 5.763 ( -2.965 1.798 -0.283) 3.479 6.223 ( -4.194 3.534 -3.537) 6.526 6.631 ( 2.233 0.071 -4.679) 5.185 6.717 ( 2.489 -0.994 7.194) 7.677 6.871 ( -0.371 -9.007 -6.612) 11.179 7.042 ( 3.633 -4.894 1.802) 6.356 7.299 ( 0.736 1.388 1.763) 2.362 7.967 ( 4.102 -4.360 -2.238) 6.391 18.938 ( -0.126 0.006 0.031) 0.130 18.961 ( -0.346 0.251 0.319) 0.533 19.001 ( 0.069 -0.161 0.114) 0.209 19.128 ( -1.539 4.062 -0.238) 4.350 19.249 ( 1.686 -3.707 0.132) 4.075 19.264 ( 0.041 0.267 0.106) 0.290 19.308 ( 0.412 -0.211 -0.193) 0.501 19.402 ( -0.099 0.170 0.001) 0.197 42.276 ( -2.000 -0.413 0.057) 2.043 42.392 ( 2.960 -0.113 0.048) 2.963 42.418 ( -1.642 -0.387 0.229) 1.703 42.480 ( 0.837 2.628 -1.008) 2.936 65.966 ( -2.399 0.409 0.567) 2.499 66.777 ( 0.616 16.024 -4.544) 16.667 67.124 ( 1.239 -14.882 3.763) 15.400 68.829 ( -3.390 -2.081 -4.997) 6.387 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -0.000 0.000 0.000) 0.000 2.077 ( -0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.656 ( -0.000 -0.000 -0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.579 ( -0.000 0.000 0.000) 0.000 3.872 ( -0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.159 ( -0.000 -0.000 -0.000) 0.000 4.425 ( -0.000 -0.000 0.000) 0.000 4.591 ( -0.000 0.000 0.000) 0.000 4.743 ( -0.000 0.000 0.000) 0.000 4.929 ( -0.000 -0.000 0.000) 0.000 5.176 ( 0.000 -0.000 0.000) 0.000 5.223 ( -0.000 0.000 0.000) 0.000 5.461 ( -0.000 0.000 0.000) 0.000 5.706 ( -0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 6.277 ( -0.000 0.000 0.000) 0.000 6.575 ( 0.000 0.000 0.000) 0.000 6.744 ( -0.000 0.000 0.000) 0.000 6.760 ( -0.000 -0.000 -0.000) 0.000 7.004 ( -0.000 0.000 0.000) 0.000 7.316 ( 0.000 0.000 0.000) 0.000 7.900 ( -0.000 0.000 0.000) 0.000 18.939 ( 0.000 0.000 0.000) 0.000 18.967 ( 0.000 0.000 0.000) 0.000 19.000 ( -0.000 0.000 0.000) 0.000 19.187 ( 0.000 -0.000 0.000) 0.000 19.191 ( -0.000 0.000 -0.000) 0.000 19.266 ( -0.000 0.000 0.000) 0.000 19.302 ( -0.000 0.000 0.000) 0.000 19.403 ( -0.000 0.000 0.000) 0.000 42.322 ( -0.000 0.000 0.000) 0.000 42.336 ( 0.000 -0.000 0.000) 0.000 42.433 ( -0.000 0.000 0.000) 0.000 42.479 ( -0.000 0.000 0.000) 0.000 65.988 ( -0.000 0.000 0.000) 0.000 66.847 ( 0.000 -0.000 0.000) 0.000 67.043 ( -0.000 0.000 0.000) 0.000 68.827 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/171) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( -0.000 -0.000 21.103) 21.103 0.441 ( -0.000 -0.000 25.455) 25.455 0.686 ( -0.000 -0.000 39.811) 39.811 1.926 ( -0.000 -0.000 0.903) 0.903 1.964 ( -0.000 -0.000 11.634) 11.634 3.170 ( 0.000 0.000 -9.881) 9.881 3.358 ( -0.000 -0.000 2.165) 2.165 4.136 ( -0.000 -0.000 2.069) 2.069 4.269 ( 0.000 0.000 -4.491) 4.491 4.291 ( 0.000 0.000 -5.775) 5.775 4.590 ( -0.000 -0.000 1.143) 1.143 4.667 ( -0.000 -0.000 1.896) 1.896 4.973 ( -0.000 -0.000 2.156) 2.156 5.345 ( -0.000 -0.000 0.742) 0.742 5.406 ( -0.000 -0.000 0.485) 0.485 5.408 ( 0.000 0.000 -2.449) 2.449 5.581 ( 0.000 0.000 -0.290) 0.290 5.589 ( 0.000 0.000 -1.891) 1.891 5.664 ( 0.000 0.000 -1.339) 1.339 5.967 ( 0.000 0.000 -2.592) 2.592 6.036 ( 0.000 0.000 -3.607) 3.607 6.599 ( 0.000 0.000 -6.953) 6.953 6.808 ( -0.000 -0.000 5.668) 5.668 7.084 ( -0.000 -0.000 4.609) 4.609 7.875 ( -0.000 -0.000 1.320) 1.320 8.448 ( 0.000 0.000 -2.125) 2.125 18.909 ( -0.000 -0.000 0.209) 0.209 18.924 ( -0.000 -0.000 0.503) 0.503 18.943 ( -0.000 -0.000 0.006) 0.006 19.121 ( 0.000 0.000 -0.922) 0.922 19.265 ( -0.000 -0.000 0.571) 0.571 19.351 ( 0.000 0.000 -0.191) 0.191 19.369 ( -0.000 -0.000 0.073) 0.073 19.399 ( 0.000 0.000 -0.110) 0.110 42.317 ( -0.000 -0.000 0.110) 0.110 42.335 ( 0.000 0.000 -0.012) 0.012 42.437 ( -0.000 -0.000 0.091) 0.091 42.464 ( 0.000 0.000 -0.080) 0.080 65.618 ( -0.000 -0.000 2.337) 2.337 66.742 ( 0.000 0.000 -7.646) 7.646 67.183 ( -0.000 -0.000 4.886) 4.886 67.433 ( -0.000 -0.000 0.136) 0.136 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -12.518 5.501 19.963) 24.196 0.946 ( -25.741 4.828 16.495) 30.952 1.413 ( -32.549 18.960 23.742) 44.527 2.038 ( -9.379 1.622 3.872) 10.276 2.151 ( -6.099 9.180 12.075) 16.349 3.118 ( -5.315 -0.822 -13.083) 14.145 3.392 ( 0.990 3.424 2.905) 4.598 4.113 ( 4.246 -0.975 -0.639) 4.404 4.195 ( 2.640 -2.954 -5.947) 7.145 4.246 ( -0.839 1.923 -6.534) 6.862 4.541 ( 12.228 -7.687 13.440) 19.729 4.653 ( 4.157 0.370 7.243) 8.359 4.734 ( 7.198 8.552 2.804) 11.524 4.984 ( 1.823 -2.332 3.601) 4.662 5.411 ( -5.663 0.406 0.206) 5.681 5.495 ( 6.336 -3.215 -3.779) 8.048 5.525 ( 8.982 -0.079 -2.781) 9.403 5.574 ( 2.585 -0.397 -1.192) 2.874 5.830 ( -1.112 -1.926 -7.433) 7.759 6.003 ( -3.499 1.389 -6.741) 7.721 6.416 ( -28.765 -13.290 -8.640) 32.844 6.659 ( -11.906 11.392 -15.316) 22.497 6.835 ( 3.171 -0.025 7.253) 7.916 7.112 ( -0.048 -2.219 4.526) 5.041 7.783 ( 10.461 -0.383 2.155) 10.687 8.384 ( 3.475 -2.758 -3.163) 5.449 18.922 ( -0.748 -0.142 0.019) 0.762 18.932 ( -0.225 0.197 0.659) 0.724 18.956 ( -0.561 2.001 -0.389) 2.114 19.074 ( 2.445 -0.469 0.943) 2.662 19.264 ( 0.412 0.123 0.521) 0.675 19.344 ( 0.439 -0.162 -0.283) 0.547 19.367 ( 0.117 -0.781 0.089) 0.794 19.394 ( 0.239 -0.137 -0.115) 0.299 42.331 ( -1.471 -0.431 0.167) 1.541 42.351 ( -1.704 0.726 0.029) 1.852 42.414 ( 2.829 -1.021 0.064) 3.008 42.447 ( 1.219 1.454 -0.562) 1.978 65.679 ( -3.019 2.168 3.228) 4.923 66.706 ( 1.007 2.371 -7.859) 8.270 67.380 ( -4.661 -10.950 0.929) 11.937 68.085 ( -46.548 17.167 -32.975) 59.572 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -10.131 6.780 17.604) 21.413 1.471 ( -17.988 3.673 11.509) 21.669 2.137 ( -12.332 20.340 9.834) 25.739 2.272 ( -8.876 0.120 13.586) 16.229 2.601 ( -26.639 11.870 6.187) 29.813 3.066 ( -3.933 -3.201 -13.152) 14.096 3.418 ( 3.214 4.293 1.363) 5.533 3.966 ( 7.030 -9.681 -0.508) 11.975 4.089 ( 3.785 1.686 -1.974) 4.590 4.221 ( 0.490 6.217 -7.662) 9.879 4.414 ( 9.111 4.819 10.019) 14.374 4.647 ( 4.206 -1.689 6.229) 7.703 4.862 ( -5.010 -4.192 4.042) 7.682 4.984 ( -3.731 0.073 3.180) 4.903 5.186 ( 18.787 0.136 -1.389) 18.839 5.363 ( 5.314 -6.079 -4.647) 9.316 5.509 ( -0.309 0.073 -3.314) 3.329 5.553 ( -5.357 1.197 -0.567) 5.518 5.768 ( 0.475 -0.112 -5.303) 5.325 6.024 ( -3.800 2.970 -6.413) 8.025 6.541 ( -5.767 1.856 -6.484) 8.874 6.811 ( -15.398 -8.072 -10.648) 20.387 6.842 ( 3.503 0.785 7.170) 8.018 7.137 ( -1.255 -2.186 3.646) 4.432 7.590 ( 12.201 -3.863 1.597) 12.897 8.241 ( 5.982 -4.320 -4.038) 8.411 18.930 ( -0.331 -0.022 0.117) 0.351 18.944 ( -0.300 0.247 0.739) 0.835 18.984 ( -0.835 1.976 -0.255) 2.160 19.055 ( 0.761 0.712 0.336) 1.095 19.264 ( 0.277 0.233 0.386) 0.529 19.331 ( 0.637 -0.262 -0.367) 0.780 19.347 ( 0.860 -2.126 0.041) 2.294 19.393 ( -0.058 0.268 -0.024) 0.275 42.339 ( 3.317 -1.897 -0.012) 3.821 42.359 ( -1.814 -0.886 0.339) 2.047 42.395 ( -1.868 1.106 0.102) 2.174 42.444 ( 1.028 3.584 -1.282) 3.943 65.796 ( -4.671 2.922 3.278) 6.411 66.641 ( 2.849 6.753 -7.784) 10.691 67.351 ( -2.310 -11.521 2.194) 11.953 68.472 ( -22.210 5.119 -20.525) 30.672 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -8.737 7.054 13.152) 17.294 1.804 ( -10.420 3.527 6.380) 12.717 2.397 ( -2.428 4.556 7.131) 8.804 2.561 ( -2.625 11.573 12.593) 17.303 2.836 ( -0.279 -6.833 -12.324) 14.095 3.239 ( -18.822 6.204 0.412) 19.823 3.348 ( 7.745 3.454 -2.040) 8.723 3.788 ( 5.655 -6.449 7.586) 11.451 4.078 ( -4.445 -2.185 -2.379) 5.495 4.228 ( 0.608 9.985 -4.214) 10.854 4.523 ( -2.158 11.277 2.474) 11.745 4.611 ( 4.699 1.121 5.850) 7.587 4.764 ( 18.169 -0.595 -2.665) 18.373 4.853 ( 2.043 -3.020 5.820) 6.868 5.147 ( 5.006 -7.279 -4.281) 9.817 5.285 ( -11.729 -3.785 4.203) 13.021 5.468 ( 0.186 -0.026 -3.991) 3.995 5.658 ( -5.018 1.157 -0.994) 5.245 5.728 ( 0.030 1.589 -3.169) 3.545 6.078 ( -4.600 4.475 -3.939) 7.530 6.570 ( -1.915 2.780 -6.097) 6.969 6.826 ( -6.147 -11.187 -5.044) 13.725 6.846 ( 2.104 -0.932 1.853) 2.955 7.164 ( -0.180 -4.211 4.032) 5.833 7.382 ( 9.003 -3.247 1.664) 9.715 8.064 ( 6.365 -3.818 -4.152) 8.504 18.935 ( -0.135 0.116 0.058) 0.188 18.958 ( -0.292 0.226 0.728) 0.817 19.002 ( -0.096 0.411 0.034) 0.423 19.073 ( -0.871 3.022 -0.243) 3.155 19.265 ( 0.159 0.215 0.320) 0.417 19.305 ( 1.366 -2.921 0.058) 3.225 19.315 ( 0.559 -0.387 -0.383) 0.781 19.398 ( -0.144 0.288 0.012) 0.322 42.279 ( 1.454 -1.370 0.070) 1.999 42.392 ( -2.237 -0.584 0.367) 2.341 42.419 ( 0.284 0.559 0.078) 0.632 42.451 ( 0.634 3.720 -1.439) 4.039 65.915 ( -3.899 1.552 2.312) 4.791 66.621 ( 1.356 11.975 -6.780) 13.828 67.290 ( -1.504 -15.393 3.381) 15.832 68.642 ( -11.651 3.233 -10.829) 16.232 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -4.030 5.183 6.788) 9.444 2.010 ( -5.466 4.695 2.658) 7.680 2.471 ( 2.824 -0.499 7.491) 8.021 2.645 ( 1.350 -5.941 -9.585) 11.357 2.731 ( 2.482 5.960 9.233) 11.267 3.172 ( 7.095 0.745 -7.731) 10.520 3.484 ( -8.411 1.391 -1.836) 8.720 3.882 ( -4.690 0.221 11.734) 12.638 4.091 ( -3.174 -2.885 -4.888) 6.503 4.258 ( 11.054 10.853 -1.128) 15.532 4.420 ( 3.734 -1.431 1.245) 4.188 4.620 ( -0.003 -0.408 1.401) 1.459 4.710 ( -0.289 5.519 -0.853) 5.592 4.961 ( 3.434 -0.513 -2.722) 4.412 4.982 ( -7.880 0.874 6.351) 10.158 5.375 ( 0.717 -7.235 -0.793) 7.313 5.439 ( -1.001 0.163 -2.501) 2.699 5.682 ( -1.680 -0.155 -2.753) 3.229 5.783 ( -2.125 2.768 2.435) 4.255 6.191 ( -5.935 5.014 -0.234) 7.773 6.553 ( 0.125 1.449 -4.215) 4.459 6.722 ( -2.064 -9.535 -9.764) 13.803 6.825 ( 3.046 -0.720 5.390) 6.233 7.105 ( 4.122 -7.749 4.640) 9.928 7.315 ( 0.752 0.693 0.136) 1.032 7.924 ( 3.970 -0.472 -2.627) 4.784 18.938 ( -0.023 0.147 0.016) 0.150 18.968 ( -0.061 0.068 0.512) 0.520 19.001 ( 0.181 -0.034 -0.070) 0.197 19.123 ( -1.613 3.989 -0.272) 4.311 19.252 ( 1.619 -3.683 0.133) 4.026 19.267 ( 0.074 0.030 0.211) 0.225 19.303 ( 0.238 -0.136 -0.285) 0.395 19.402 ( -0.090 0.172 0.016) 0.195 42.277 ( -1.915 -0.291 0.086) 1.939 42.392 ( 2.989 -0.226 0.021) 2.998 42.423 ( -1.451 -0.299 0.289) 1.509 42.463 ( -0.054 2.431 -0.921) 2.600 65.978 ( -1.485 -0.062 0.808) 1.692 66.698 ( -1.953 15.016 -4.454) 15.784 67.186 ( -0.250 -18.419 3.304) 18.714 68.747 ( -5.657 3.941 -4.292) 8.122 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 6.107 -3.315 0.107) 6.950 2.045 ( 6.439 5.754 -3.115) 9.180 2.448 ( 3.867 -4.073 6.174) 8.346 2.578 ( -3.964 -5.577 -2.900) 7.431 2.823 ( -0.842 5.899 8.357) 10.264 3.069 ( -2.110 5.039 -8.161) 9.821 3.530 ( 1.050 -1.750 -4.440) 4.887 3.926 ( 5.689 -9.406 4.757) 11.978 4.085 ( -6.875 -7.115 -3.005) 10.340 4.203 ( -0.600 7.966 2.659) 8.419 4.418 ( 3.197 2.966 -0.704) 4.417 4.602 ( 0.288 -7.789 1.081) 7.869 4.766 ( 0.007 5.040 2.481) 5.618 4.943 ( -2.008 6.409 1.421) 6.865 5.146 ( 10.251 -13.017 -2.997) 16.838 5.207 ( -6.721 6.038 -1.681) 9.190 5.460 ( -2.096 0.734 -0.142) 2.225 5.690 ( -0.711 1.284 -1.533) 2.122 5.824 ( 1.680 0.429 2.260) 2.848 6.300 ( -1.243 0.297 2.673) 2.963 6.571 ( -3.212 4.713 -0.324) 5.713 6.623 ( -1.999 -2.837 -7.829) 8.563 6.855 ( -0.187 4.456 4.871) 6.604 7.021 ( 1.136 -6.308 1.876) 6.678 7.300 ( 0.716 -1.115 -1.664) 2.127 7.900 ( -0.336 4.470 0.053) 4.483 18.939 ( 0.088 0.125 -0.008) 0.154 18.968 ( 0.337 -0.235 0.120) 0.428 18.998 ( 0.089 0.152 -0.115) 0.210 19.185 ( -1.634 3.671 -0.139) 4.021 19.192 ( 1.501 -3.672 0.134) 3.969 19.266 ( 0.029 -0.263 0.034) 0.266 19.302 ( -0.208 0.109 -0.042) 0.238 19.403 ( 0.013 0.006 0.014) 0.020 42.323 ( 0.424 -0.054 0.150) 0.453 42.334 ( -0.331 0.011 -0.145) 0.362 42.433 ( 0.327 -0.015 0.013) 0.328 42.480 ( -1.109 0.021 0.062) 1.111 65.988 ( 0.396 -0.153 0.000) 0.425 66.841 ( -3.438 9.695 -0.640) 10.306 67.049 ( 0.180 -14.561 0.544) 14.572 68.829 ( -1.684 5.375 0.286) 5.640 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 14.268 -10.348 -5.246) 18.389 1.899 ( 13.105 2.904 -2.847) 13.722 2.368 ( 5.411 -4.305 0.406) 6.927 2.530 ( 1.757 -7.239 -0.735) 7.486 3.022 ( -6.240 8.126 6.945) 12.377 3.213 ( -13.477 6.486 -3.380) 15.333 3.418 ( 1.238 -2.691 -4.086) 5.047 3.665 ( 15.449 -13.497 1.467) 20.566 4.078 ( 0.288 -6.670 -3.809) 7.686 4.369 ( 0.621 2.194 -0.951) 2.470 4.421 ( -12.769 -3.118 5.292) 14.170 4.550 ( -4.726 -3.861 -1.962) 6.410 4.720 ( 10.290 -8.168 -4.983) 14.051 4.867 ( 5.656 -4.577 5.167) 8.924 5.102 ( -4.864 9.444 3.061) 11.055 5.259 ( 4.427 5.248 -5.149) 8.582 5.514 ( -2.441 1.203 1.414) 3.067 5.709 ( -2.039 1.561 -1.128) 2.805 5.784 ( 4.483 -0.539 1.380) 4.721 6.308 ( 2.294 -2.068 6.152) 6.884 6.584 ( -1.928 1.250 -8.018) 8.341 6.705 ( -4.295 4.470 3.631) 7.184 6.908 ( 0.694 -0.071 -1.131) 1.329 7.080 ( -4.810 6.876 5.201) 9.873 7.256 ( -0.358 -0.575 -3.171) 3.243 7.997 ( -3.975 7.021 1.213) 8.159 18.937 ( 0.231 0.106 -0.043) 0.258 18.957 ( 0.535 -0.372 -0.101) 0.659 18.998 ( 0.050 0.250 -0.148) 0.295 19.131 ( 1.510 -4.166 0.130) 4.433 19.248 ( -1.738 3.729 -0.082) 4.115 19.263 ( -0.057 -0.405 -0.026) 0.410 19.310 ( -0.537 0.242 0.088) 0.596 19.402 ( 0.110 -0.170 0.007) 0.202 42.275 ( 2.079 0.523 -0.022) 2.144 42.391 ( -2.911 0.025 -0.046) 2.911 42.415 ( 1.755 0.436 -0.121) 1.812 42.495 ( -1.631 -2.762 0.687) 3.280 65.959 ( 2.877 -0.677 -0.253) 2.966 66.846 ( -1.722 -17.674 3.333) 18.068 67.064 ( -3.013 12.943 -3.019) 13.628 68.905 ( 0.873 7.031 3.483) 7.895 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 15.374 -13.178 -5.337) 20.940 1.621 ( 18.642 -0.981 -2.511) 18.836 2.207 ( 7.425 -5.297 -2.315) 9.410 2.352 ( 9.349 -13.107 -1.052) 16.134 3.178 ( 23.727 -8.646 3.648) 25.515 3.223 ( -1.095 -1.810 -0.149) 2.121 3.418 ( -5.842 0.212 2.307) 6.285 3.572 ( -15.829 9.603 -1.890) 18.610 3.934 ( 2.636 -2.717 -5.452) 6.637 4.402 ( -3.208 -3.576 2.729) 5.525 4.415 ( 7.004 -10.558 -1.286) 12.735 4.460 ( -3.186 -7.502 -2.404) 8.497 4.827 ( -15.474 2.162 1.317) 15.680 4.855 ( -5.833 0.201 1.683) 6.074 5.084 ( 14.633 3.616 -3.260) 15.422 5.297 ( -5.693 8.539 1.590) 10.385 5.568 ( -1.408 0.662 1.208) 1.970 5.694 ( 7.193 -0.206 0.538) 7.216 5.766 ( -3.842 1.172 -0.210) 4.022 6.295 ( 4.238 -1.670 5.593) 7.213 6.579 ( -3.097 2.645 -5.749) 7.045 6.776 ( 1.709 -5.300 4.492) 7.154 6.910 ( -2.196 6.251 -3.297) 7.401 7.131 ( 4.328 0.539 0.740) 4.424 7.395 ( -8.978 10.783 1.135) 14.077 8.153 ( -6.009 6.941 0.870) 9.222 18.932 ( 0.412 0.143 -0.079) 0.443 18.945 ( 0.489 -0.332 -0.071) 0.595 18.998 ( 0.049 0.228 -0.087) 0.249 19.074 ( 1.091 -4.015 -0.036) 4.160 19.261 ( -0.123 -0.391 -0.005) 0.410 19.303 ( -1.448 3.040 -0.021) 3.367 19.323 ( -0.681 0.311 0.078) 0.753 19.397 ( 0.137 -0.300 0.001) 0.330 42.278 ( -1.296 1.769 -0.007) 2.193 42.383 ( 2.464 0.948 -0.103) 2.642 42.416 ( -0.348 -0.829 -0.029) 0.900 42.494 ( -1.547 -4.609 0.613) 4.900 65.870 ( 5.764 -2.537 -0.405) 6.311 66.777 ( -4.591 -13.640 1.661) 14.488 67.203 ( -1.841 12.137 -1.057) 12.322 68.985 ( 2.270 8.850 4.982) 10.406 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 15.651 -14.948 -0.000) 21.642 1.233 ( 24.688 -4.546 -0.000) 25.103 1.922 ( 23.839 -20.785 -0.000) 31.628 2.040 ( 7.810 -5.997 -0.000) 9.847 2.547 ( 33.242 -10.687 -0.000) 34.918 3.285 ( -4.076 -2.383 0.000) 4.722 3.446 ( 5.679 -0.720 -0.000) 5.724 3.889 ( -13.774 6.772 0.000) 15.349 3.994 ( -10.984 3.034 0.000) 11.396 4.299 ( -0.832 -5.552 0.000) 5.614 4.396 ( -1.059 -7.625 0.000) 7.698 4.488 ( -3.883 0.995 0.000) 4.008 4.842 ( 13.277 1.058 -0.000) 13.319 4.881 ( -0.717 4.532 -0.000) 4.588 5.222 ( -23.176 -1.094 0.000) 23.202 5.459 ( -5.262 5.794 0.000) 7.827 5.556 ( 9.366 -0.063 -0.000) 9.366 5.590 ( -0.386 -0.025 0.000) 0.387 5.846 ( -4.304 1.611 0.000) 4.596 6.223 ( 5.756 -0.943 -0.000) 5.833 6.640 ( -4.500 1.937 0.000) 4.899 6.680 ( 7.279 -1.162 -0.000) 7.371 6.984 ( -1.154 4.685 -0.000) 4.825 7.069 ( 3.370 0.696 -0.000) 3.441 7.622 ( -7.196 8.042 0.000) 10.791 8.311 ( -5.799 5.342 0.000) 7.884 18.926 ( 0.485 0.229 -0.000) 0.536 18.935 ( 0.450 -0.060 -0.000) 0.454 19.000 ( -0.006 0.232 -0.000) 0.232 19.026 ( 0.353 -3.938 0.000) 3.953 19.260 ( -0.120 -0.290 0.000) 0.314 19.337 ( -0.689 0.254 0.000) 0.734 19.346 ( -0.823 2.111 0.000) 2.266 19.393 ( -0.012 -0.255 0.000) 0.255 42.340 ( -3.586 2.268 0.000) 4.243 42.352 ( 2.214 1.050 -0.000) 2.451 42.392 ( 1.804 -1.297 -0.000) 2.222 42.478 ( -1.130 -4.563 0.000) 4.701 65.741 ( 5.931 -3.291 -0.000) 6.783 66.778 ( -5.407 -7.895 0.000) 9.569 67.308 ( 0.524 10.553 -0.000) 10.566 69.057 ( 3.417 11.243 -0.000) 11.751 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -0.000 -0.000 21.987) 21.987 0.863 ( -0.000 -0.000 23.699) 23.699 1.355 ( -0.000 -0.000 38.297) 38.297 1.945 ( -0.000 -0.000 1.120) 1.120 2.235 ( -0.000 -0.000 19.315) 19.315 2.943 ( 0.000 0.000 -16.032) 16.032 3.412 ( -0.000 -0.000 4.117) 4.117 4.141 ( 0.000 0.000 -11.715) 11.715 4.152 ( 0.000 0.000 -1.051) 1.051 4.153 ( 0.000 0.000 -8.967) 8.967 4.610 ( -0.000 -0.000 2.069) 2.069 4.735 ( -0.000 -0.000 5.616) 5.616 5.021 ( -0.000 -0.000 3.307) 3.307 5.346 ( 0.000 0.000 -4.886) 4.886 5.366 ( -0.000 -0.000 1.826) 1.826 5.418 ( -0.000 -0.000 0.887) 0.887 5.541 ( 0.000 0.000 -3.586) 3.586 5.574 ( 0.000 0.000 -0.578) 0.578 5.630 ( 0.000 0.000 -2.552) 2.552 5.904 ( 0.000 0.000 -4.660) 4.660 5.976 ( 0.000 0.000 -2.849) 2.849 6.459 ( 0.000 0.000 -8.899) 8.899 6.926 ( -0.000 -0.000 7.579) 7.579 7.166 ( -0.000 -0.000 4.443) 4.443 7.909 ( -0.000 -0.000 2.605) 2.605 8.396 ( 0.000 0.000 -3.924) 3.924 18.914 ( -0.000 -0.000 0.366) 0.366 18.937 ( -0.000 -0.000 0.962) 0.962 18.943 ( 0.000 0.000 -0.019) 0.019 19.100 ( 0.000 0.000 -1.482) 1.482 19.277 ( -0.000 -0.000 0.820) 0.820 19.346 ( 0.000 0.000 -0.362) 0.362 19.371 ( -0.000 -0.000 0.144) 0.144 19.397 ( 0.000 0.000 -0.203) 0.203 42.320 ( -0.000 -0.000 0.195) 0.195 42.335 ( 0.000 0.000 -0.022) 0.022 42.439 ( -0.000 -0.000 0.159) 0.159 42.462 ( 0.000 0.000 -0.157) 0.157 65.677 ( -0.000 -0.000 4.560) 4.560 66.586 ( 0.000 0.000 -10.065) 10.065 67.270 ( -0.000 -0.000 4.861) 4.861 67.436 ( -0.000 -0.000 0.181) 0.181 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -14.138 4.685 18.337) 23.624 1.256 ( -18.080 3.253 18.671) 26.193 1.880 ( -15.641 12.212 27.912) 34.246 2.084 ( -14.930 4.455 3.817) 16.041 2.437 ( -1.215 5.236 19.073) 19.816 2.859 ( -6.260 0.143 -16.326) 17.486 3.448 ( 0.646 0.267 3.673) 3.739 4.022 ( 0.377 -1.370 -10.259) 10.357 4.061 ( 1.749 1.447 -10.486) 10.728 4.130 ( 1.452 2.955 -6.108) 6.939 4.706 ( -6.293 -3.685 7.100) 10.178 4.767 ( 2.351 -1.000 6.666) 7.139 4.850 ( 20.677 2.860 8.823) 22.663 5.050 ( 2.546 -2.169 3.799) 5.062 5.397 ( 3.356 -3.511 -4.434) 6.577 5.429 ( -0.924 1.220 -1.276) 1.993 5.477 ( 8.343 -0.183 -2.589) 8.737 5.554 ( 4.202 -0.891 -1.011) 4.413 5.686 ( -3.890 -0.312 -8.593) 9.438 5.905 ( -2.425 1.662 -4.780) 5.611 6.269 ( -29.636 -6.423 -8.015) 31.365 6.445 ( -5.823 6.372 -10.392) 13.509 6.965 ( 3.107 0.380 7.574) 8.195 7.182 ( 1.042 -1.209 3.408) 3.763 7.835 ( 10.009 -1.957 3.875) 10.910 8.315 ( 3.672 -2.710 -4.803) 6.626 18.925 ( -0.443 0.258 0.254) 0.572 18.946 ( -0.096 0.299 0.783) 0.844 18.953 ( -0.545 1.298 0.191) 1.421 19.073 ( 1.148 -0.370 -0.840) 1.470 19.276 ( 0.668 -0.050 0.856) 1.087 19.338 ( 0.441 -0.180 -0.445) 0.652 19.369 ( 0.179 -0.823 0.135) 0.853 19.392 ( 0.135 -0.080 -0.175) 0.235 42.335 ( -1.492 -0.418 0.233) 1.566 42.352 ( -1.796 0.722 0.045) 1.936 42.416 ( 2.882 -1.006 0.072) 3.054 42.440 ( 1.822 0.983 -0.297) 2.092 65.751 ( -2.431 2.060 5.240) 6.133 66.539 ( -1.406 2.057 -11.047) 11.325 67.399 ( -4.906 -9.503 1.242) 10.767 67.741 ( -29.780 15.921 -10.656) 35.410 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -8.358 4.765 16.047) 18.710 1.672 ( -11.651 3.070 11.328) 16.537 2.277 ( -6.671 15.729 6.044) 18.122 2.563 ( -9.952 1.477 19.277) 21.745 2.689 ( -12.677 1.011 -2.436) 12.948 2.904 ( -12.312 5.736 0.966) 13.617 3.437 ( 3.865 -0.702 0.786) 4.006 3.899 ( 1.573 -4.031 -6.664) 7.945 3.980 ( -1.740 0.909 -10.865) 11.041 4.116 ( 0.963 11.088 -4.349) 11.949 4.601 ( 12.692 0.782 10.852) 16.717 4.753 ( 3.280 -3.316 6.272) 7.816 4.954 ( -1.372 -3.167 5.487) 6.482 5.021 ( 5.112 -0.488 1.304) 5.298 5.176 ( 4.391 -0.837 0.519) 4.500 5.280 ( 5.982 -5.483 -4.870) 9.464 5.441 ( 2.157 -0.117 -4.330) 4.839 5.561 ( -4.565 1.836 1.248) 5.076 5.654 ( -1.219 2.000 -7.007) 7.388 5.942 ( -3.696 3.744 -3.489) 6.313 6.430 ( -6.357 1.292 -6.176) 8.957 6.597 ( -18.603 -7.192 -12.853) 23.727 6.970 ( 4.202 0.352 6.953) 8.132 7.189 ( -0.193 -0.163 2.197) 2.211 7.646 ( 12.625 -5.807 4.597) 14.637 8.159 ( 6.215 -3.306 -5.401) 8.873 18.933 ( -0.131 0.186 0.138) 0.266 18.959 ( -0.212 0.310 0.902) 0.977 18.982 ( -0.847 1.926 0.082) 2.106 19.052 ( 0.451 0.450 -0.592) 0.869 19.273 ( 0.482 0.030 0.697) 0.848 19.323 ( 0.606 -0.273 -0.526) 0.848 19.347 ( 0.888 -2.130 0.043) 2.308 19.393 ( -0.135 0.287 -0.026) 0.318 42.339 ( 3.382 -1.672 0.053) 3.773 42.365 ( -1.787 -0.727 0.378) 1.966 42.396 ( -1.944 0.988 0.083) 2.182 42.425 ( 1.371 2.829 -0.911) 3.273 65.866 ( -3.403 2.290 4.933) 6.415 66.487 ( 0.236 6.191 -9.827) 11.617 67.391 ( -4.237 -12.815 2.287) 13.690 68.193 ( -22.502 10.931 -12.047) 27.766 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -4.504 5.842 11.358) 13.543 1.906 ( -6.213 3.795 5.348) 9.034 2.478 ( -2.073 6.363 -1.400) 6.837 2.683 ( 0.352 -2.900 -1.791) 3.426 2.804 ( 1.121 6.328 14.634) 15.983 3.227 ( -2.409 -0.795 -2.152) 3.327 3.311 ( -0.869 0.035 -2.091) 2.265 3.870 ( -2.592 3.614 -0.567) 4.484 3.997 ( -10.878 -6.131 -2.785) 12.794 4.192 ( 0.149 12.899 -1.209) 12.956 4.562 ( 4.697 5.945 2.440) 7.960 4.695 ( 19.078 0.070 0.456) 19.084 4.742 ( 3.356 -1.312 3.636) 5.119 4.974 ( 1.616 1.087 6.067) 6.372 5.075 ( 4.947 -9.473 -2.920) 11.079 5.334 ( -9.529 -3.661 1.147) 10.272 5.398 ( -0.798 0.401 -4.162) 4.256 5.606 ( -2.638 1.138 -5.324) 6.050 5.721 ( -4.423 4.080 3.296) 6.861 6.039 ( -5.674 5.862 -1.080) 8.230 6.477 ( -3.593 1.128 -4.519) 5.883 6.636 ( -9.291 -10.900 -11.545) 18.396 6.946 ( 4.867 -0.793 5.052) 7.060 7.221 ( -1.042 -0.574 2.280) 2.572 7.428 ( 9.810 -8.049 3.481) 13.159 7.987 ( 6.399 -1.056 -4.489) 7.887 18.936 ( -0.011 0.244 0.050) 0.249 18.972 ( -0.098 0.171 0.857) 0.880 19.001 ( -0.019 0.470 -0.147) 0.493 19.067 ( -1.041 2.919 -0.407) 3.126 19.272 ( 0.280 -0.027 0.505) 0.578 19.305 ( 1.009 -1.824 -0.149) 2.090 19.309 ( 0.771 -1.412 -0.301) 1.637 19.398 ( -0.158 0.285 0.016) 0.326 42.281 ( 1.548 -1.153 0.087) 1.932 42.399 ( -1.992 -0.226 0.381) 2.040 42.420 ( 0.244 0.397 0.051) 0.469 42.429 ( 0.239 3.027 -1.048) 3.212 65.962 ( -2.080 0.365 2.954) 3.631 66.501 ( -1.896 11.485 -6.713) 13.437 67.345 ( -3.441 -17.880 2.768) 18.418 68.487 ( -13.371 9.278 -6.977) 17.707 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 1.371 5.421 5.556) 7.883 2.038 ( -0.196 4.373 0.126) 4.379 2.495 ( -5.964 -3.219 -4.944) 8.389 2.643 ( 6.423 -1.968 9.942) 11.999 2.891 ( 5.388 4.664 7.794) 10.560 3.015 ( 8.304 0.073 -9.822) 12.862 3.435 ( -7.291 2.026 -3.468) 8.324 3.980 ( -9.456 -3.391 -2.784) 10.425 4.084 ( -0.903 -4.967 7.057) 8.677 4.242 ( 8.812 8.957 -1.381) 12.641 4.437 ( 4.916 0.262 0.705) 4.973 4.621 ( -3.565 6.837 -0.600) 7.734 4.744 ( 2.140 -1.266 3.553) 4.337 4.906 ( 2.546 0.956 -2.664) 3.807 5.096 ( -4.292 -0.040 5.791) 7.209 5.323 ( 3.562 -6.739 -4.517) 8.861 5.403 ( -3.020 0.331 -1.621) 3.443 5.634 ( -2.932 1.523 -2.446) 4.111 5.837 ( -1.623 2.297 3.312) 4.345 6.211 ( -7.262 6.436 2.232) 9.956 6.494 ( -1.727 1.176 -2.606) 3.340 6.560 ( -3.860 -8.540 -8.442) 12.613 6.898 ( 3.385 -0.658 2.980) 4.558 7.184 ( 4.854 -9.902 4.355) 11.856 7.304 ( 0.889 -0.918 -1.440) 1.926 7.884 ( 3.566 3.471 -1.864) 5.314 18.938 ( 0.054 0.244 0.012) 0.250 18.977 ( 0.255 -0.153 0.530) 0.608 18.998 ( 0.194 0.142 -0.260) 0.354 19.119 ( -1.705 3.977 -0.185) 4.331 19.254 ( 1.564 -3.664 0.083) 3.985 19.271 ( 0.179 -0.270 0.224) 0.394 19.298 ( 0.046 0.009 -0.265) 0.269 19.402 ( -0.085 0.175 0.017) 0.195 42.278 ( -1.855 -0.205 0.069) 1.868 42.393 ( 3.005 -0.317 0.003) 3.022 42.428 ( -1.237 -0.271 0.267) 1.294 42.450 ( -0.751 2.309 -0.595) 2.500 65.992 ( -0.353 -0.602 0.661) 0.961 66.633 ( -4.733 14.353 -2.854) 15.380 67.232 ( -1.254 -21.465 1.927) 21.588 68.690 ( -6.932 8.772 -2.338) 11.422 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 11.078 -7.414 0.185) 13.331 1.997 ( 8.132 9.832 -1.795) 12.885 2.533 ( -0.041 -10.729 1.450) 10.826 2.591 ( 3.277 -1.193 4.525) 5.713 2.901 ( -1.574 7.114 -4.300) 8.460 2.951 ( -4.601 6.675 0.735) 8.141 3.464 ( 1.735 -1.298 -2.411) 3.242 3.992 ( 7.756 -13.300 2.326) 15.572 4.046 ( -9.597 -11.106 -1.433) 14.748 4.235 ( -2.129 10.403 0.943) 10.661 4.408 ( 4.648 4.073 -0.389) 6.193 4.619 ( 0.557 -11.233 0.669) 11.266 4.812 ( 1.879 8.942 2.101) 9.376 4.963 ( -3.159 8.091 0.561) 8.704 5.100 ( 9.543 -6.861 -1.644) 11.868 5.176 ( -5.256 -3.308 -1.382) 6.362 5.458 ( -3.536 1.312 -0.062) 3.772 5.666 ( -0.688 2.255 -0.934) 2.536 5.858 ( 2.608 0.211 1.243) 2.897 6.367 ( -2.542 1.812 4.920) 5.826 6.493 ( -2.030 -3.059 -6.891) 7.808 6.567 ( -5.140 6.876 -0.180) 8.587 6.913 ( -0.576 4.545 1.737) 4.900 7.056 ( 0.716 -10.083 1.544) 10.225 7.270 ( 1.672 -1.077 -1.382) 2.422 7.901 ( -0.539 7.167 0.033) 7.187 18.939 ( 0.148 0.194 -0.005) 0.244 18.970 ( 0.567 -0.405 0.084) 0.702 18.997 ( 0.117 0.279 -0.082) 0.313 19.183 ( -1.840 4.055 -0.059) 4.453 19.194 ( 1.624 -4.058 0.056) 4.371 19.267 ( 0.053 -0.433 0.021) 0.436 19.301 ( -0.342 0.186 -0.027) 0.391 19.404 ( 0.020 0.010 0.009) 0.024 42.326 ( 1.549 -0.152 0.224) 1.572 42.331 ( -1.396 0.082 -0.221) 1.416 42.433 ( 0.526 -0.023 0.008) 0.526 42.481 ( -1.795 0.036 0.038) 1.796 65.988 ( 0.642 -0.248 0.000) 0.688 66.831 ( -5.348 14.099 -0.365) 15.084 67.057 ( 0.088 -21.954 0.306) 21.956 68.834 ( -2.748 8.683 0.177) 9.109 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 15.928 -11.669 -0.000) 19.746 1.873 ( 14.352 4.325 -0.000) 14.989 2.373 ( 6.949 -7.334 -0.000) 10.103 2.533 ( 4.127 -5.494 -0.000) 6.871 3.057 ( -8.608 8.322 0.000) 11.973 3.201 ( -14.706 9.258 0.000) 17.378 3.382 ( 0.923 -4.548 0.000) 4.641 3.685 ( 15.700 -14.209 -0.000) 21.176 4.036 ( 1.312 -9.160 0.000) 9.254 4.359 ( 0.123 2.946 -0.000) 2.949 4.483 ( -16.964 3.049 0.000) 17.235 4.520 ( -0.088 -10.218 0.000) 10.219 4.675 ( 11.140 -10.378 -0.000) 15.225 4.922 ( 5.650 -2.135 -0.000) 6.040 5.132 ( -4.800 10.389 0.000) 11.444 5.203 ( 4.299 4.333 -0.000) 6.104 5.527 ( -2.943 1.441 0.000) 3.277 5.697 ( -2.160 1.821 0.000) 2.825 5.797 ( 4.805 -0.407 -0.000) 4.823 6.402 ( 2.259 -3.500 -0.000) 4.165 6.475 ( -2.377 3.605 0.000) 4.318 6.740 ( -5.902 8.939 0.000) 10.712 6.891 ( 1.832 -6.390 0.000) 6.647 7.150 ( -9.347 8.358 0.000) 12.539 7.208 ( 3.596 -1.013 -0.000) 3.736 8.007 ( -3.874 7.957 0.000) 8.850 18.936 ( 0.282 0.138 -0.000) 0.314 18.957 ( 0.595 -0.405 -0.000) 0.720 18.997 ( 0.100 0.282 -0.000) 0.300 19.132 ( 1.505 -4.216 -0.000) 4.476 19.247 ( -1.758 3.738 0.000) 4.131 19.263 ( -0.072 -0.448 0.000) 0.454 19.311 ( -0.584 0.251 0.000) 0.636 19.402 ( 0.114 -0.170 -0.000) 0.205 42.275 ( 2.112 0.568 -0.000) 2.187 42.390 ( -2.883 -0.006 0.000) 2.883 42.414 ( 1.785 0.447 -0.000) 1.840 42.501 ( -1.957 -2.805 0.000) 3.420 65.957 ( 3.012 -0.757 -0.000) 3.106 66.878 ( -1.547 -19.744 0.000) 19.805 67.035 ( -4.201 13.670 -0.000) 14.301 68.937 ( -0.275 8.948 -0.000) 8.953 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -0.000 -0.000 22.862) 22.862 1.244 ( -0.000 -0.000 20.608) 20.608 1.954 ( 0.000 0.000 -0.480) 0.480 1.990 ( -0.000 -0.000 35.794) 35.794 2.599 ( -0.000 -0.000 22.556) 22.556 2.636 ( 0.000 0.000 -19.586) 19.586 3.499 ( -0.000 -0.000 6.061) 6.061 3.891 ( 0.000 0.000 -17.578) 17.578 3.963 ( 0.000 0.000 -13.333) 13.333 4.086 ( 0.000 0.000 -6.576) 6.576 4.679 ( -0.000 -0.000 6.012) 6.012 4.842 ( -0.000 -0.000 6.567) 6.567 5.074 ( -0.000 -0.000 2.403) 2.403 5.243 ( 0.000 0.000 -7.064) 7.064 5.407 ( -0.000 -0.000 2.885) 2.885 5.435 ( -0.000 -0.000 1.143) 1.143 5.478 ( 0.000 0.000 -3.352) 3.352 5.563 ( 0.000 0.000 -0.563) 0.563 5.579 ( 0.000 0.000 -3.384) 3.384 5.813 ( 0.000 0.000 -5.847) 5.847 5.951 ( -0.000 -0.000 0.072) 0.072 6.307 ( 0.000 0.000 -8.723) 8.723 7.053 ( -0.000 -0.000 6.973) 6.973 7.226 ( -0.000 -0.000 2.505) 2.505 7.964 ( -0.000 -0.000 3.809) 3.809 8.317 ( 0.000 0.000 -5.147) 5.147 18.921 ( -0.000 -0.000 0.439) 0.439 18.942 ( 0.000 0.000 -0.092) 0.092 18.956 ( -0.000 -0.000 1.338) 1.338 19.072 ( 0.000 0.000 -1.741) 1.741 19.292 ( -0.000 -0.000 0.841) 0.841 19.339 ( 0.000 0.000 -0.500) 0.500 19.374 ( -0.000 -0.000 0.208) 0.208 19.392 ( 0.000 0.000 -0.268) 0.268 42.323 ( -0.000 -0.000 0.236) 0.236 42.334 ( 0.000 0.000 -0.043) 0.043 42.442 ( -0.000 -0.000 0.204) 0.204 42.459 ( 0.000 0.000 -0.221) 0.221 65.773 ( -0.000 -0.000 6.568) 6.568 66.407 ( 0.000 0.000 -10.693) 10.693 67.343 ( -0.000 -0.000 3.626) 3.626 67.438 ( -0.000 -0.000 0.036) 0.036 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -10.895 3.062 19.396) 22.456 1.558 ( -12.310 3.571 16.147) 20.616 2.058 ( -9.108 8.466 -0.427) 12.442 2.434 ( -15.828 2.970 28.906) 33.089 2.514 ( -4.984 1.234 -16.720) 17.490 2.829 ( -2.182 3.831 19.408) 19.902 3.506 ( -0.235 -7.382 1.903) 7.627 3.803 ( -2.698 6.092 -13.753) 15.282 3.842 ( 1.033 2.092 -14.510) 14.696 4.014 ( 2.510 5.471 -7.667) 9.748 4.819 ( -7.286 -1.493 6.597) 9.942 4.896 ( -1.336 -1.555 7.742) 8.009 4.976 ( 15.090 -1.115 5.456) 16.084 5.099 ( 1.157 -1.381 1.444) 2.309 5.306 ( 4.980 -3.099 -4.694) 7.513 5.392 ( 11.879 -0.062 -3.620) 12.418 5.459 ( -0.026 0.375 -0.032) 0.377 5.542 ( 0.880 -1.474 -2.851) 3.328 5.566 ( -0.297 1.547 -1.923) 2.486 5.825 ( -3.896 1.497 -5.046) 6.549 6.158 ( -21.647 -2.960 -4.455) 22.298 6.290 ( -5.241 2.550 -7.772) 9.715 7.084 ( 3.118 0.570 6.186) 6.951 7.222 ( 1.876 -0.170 1.169) 2.217 7.912 ( 8.509 -3.225 5.037) 10.401 8.224 ( 4.070 -2.538 -5.764) 7.498 18.930 ( -0.194 0.315 0.317) 0.487 18.949 ( -0.382 1.203 -0.110) 1.267 18.971 ( -0.201 0.207 1.405) 1.434 19.052 ( 0.438 -0.140 -1.470) 1.540 19.291 ( 0.659 -0.166 0.875) 1.107 19.329 ( 0.456 -0.201 -0.579) 0.764 19.371 ( 0.289 -0.918 0.151) 0.974 19.389 ( -0.011 0.031 -0.184) 0.187 42.339 ( -1.529 -0.424 0.219) 1.602 42.352 ( -1.922 0.735 0.037) 2.058 42.417 ( 3.011 -1.007 0.058) 3.176 42.436 ( 2.087 0.811 -0.179) 2.246 65.857 ( -1.793 1.770 7.108) 7.542 66.346 ( -1.812 2.099 -11.198) 11.536 67.419 ( -5.034 -8.484 1.031) 9.919 67.636 ( -19.197 12.664 -3.125) 23.210 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -4.989 4.130 14.135) 15.548 1.836 ( -5.906 2.506 7.250) 9.681 2.319 ( -7.331 8.858 -2.846) 11.845 2.533 ( -10.677 6.095 -7.349) 14.323 2.914 ( -7.961 -2.261 19.282) 20.984 3.062 ( -8.136 3.818 11.086) 14.272 3.447 ( 4.198 -5.678 0.441) 7.075 3.737 ( -1.287 4.307 -13.301) 14.040 3.790 ( -8.995 -2.011 -8.276) 12.388 4.049 ( 0.335 17.131 -3.362) 17.461 4.765 ( 14.294 -1.346 7.891) 16.383 4.858 ( 2.730 -3.685 5.315) 7.020 4.988 ( 11.954 -1.962 -0.382) 12.120 5.063 ( 3.726 -1.457 2.088) 4.513 5.172 ( -4.588 -5.985 -2.459) 7.932 5.234 ( 0.520 -0.279 1.077) 1.228 5.375 ( 4.155 -0.615 -2.777) 5.035 5.504 ( -1.153 1.128 -6.642) 6.835 5.645 ( -4.414 3.574 5.072) 7.614 5.885 ( -5.330 4.350 -3.736) 7.829 6.341 ( -7.924 0.109 -3.911) 8.837 6.403 ( -15.917 -5.830 -8.874) 19.133 7.071 ( 4.744 0.145 4.665) 6.655 7.208 ( 0.473 1.748 0.147) 1.817 7.733 ( 11.638 -9.057 5.065) 15.593 8.065 ( 6.492 -1.442 -5.236) 8.465 18.935 ( 0.026 0.258 0.103) 0.279 18.970 ( -0.472 1.297 0.281) 1.408 18.990 ( -0.356 0.732 0.876) 1.196 19.038 ( -0.016 0.669 -1.042) 1.238 19.286 ( 0.602 -0.181 0.783) 1.004 19.313 ( 0.584 -0.256 -0.646) 0.907 19.348 ( 0.912 -2.133 0.027) 2.320 19.392 ( -0.204 0.307 -0.016) 0.369 42.340 ( 3.493 -1.535 0.064) 3.816 42.371 ( -1.945 -0.650 0.297) 2.072 42.397 ( -2.015 0.924 0.043) 2.217 42.413 ( 1.788 2.372 -0.512) 3.014 65.962 ( -1.739 0.933 5.953) 6.271 66.322 ( -2.238 6.662 -9.013) 11.430 67.424 ( -6.075 -14.276 1.487) 15.586 68.050 ( -19.614 13.880 -5.128) 24.570 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 1.111 7.967 5.685) 9.850 1.979 ( -4.494 1.922 2.960) 5.714 2.372 ( -5.879 -2.019 -6.113) 8.718 2.747 ( -0.286 12.085 4.304) 12.832 3.009 ( 4.581 -0.828 7.100) 8.490 3.193 ( 12.399 -3.805 0.037) 12.970 3.268 ( -4.696 -0.638 -3.210) 5.724 3.787 ( -12.855 -2.552 -4.619) 13.896 4.014 ( -17.554 -1.252 1.668) 17.677 4.173 ( 2.638 18.586 -0.844) 18.792 4.604 ( 9.684 2.152 2.074) 10.135 4.665 ( 17.368 -0.477 -1.848) 17.472 4.849 ( 4.307 -1.677 6.747) 8.178 4.957 ( 4.667 -4.507 -5.180) 8.302 5.120 ( 0.092 -1.828 4.352) 4.721 5.323 ( -3.784 -2.849 -2.570) 5.389 5.344 ( -2.273 -0.757 -0.819) 2.531 5.527 ( -4.822 2.425 -2.869) 6.112 5.794 ( -4.213 2.622 3.559) 6.106 6.028 ( -8.154 7.458 -0.373) 11.057 6.426 ( -5.401 -1.408 -0.987) 5.669 6.473 ( -8.860 -8.689 -6.474) 13.997 7.007 ( 5.634 -1.155 1.917) 6.062 7.242 ( -1.441 2.344 0.426) 2.784 7.483 ( 10.048 -13.206 2.144) 16.732 7.925 ( 6.291 1.906 -2.258) 6.950 18.937 ( 0.061 0.302 0.022) 0.308 18.986 ( -0.018 0.367 0.686) 0.778 18.997 ( 0.196 0.078 -0.375) 0.431 19.061 ( -1.305 3.112 -0.218) 3.381 19.281 ( 0.450 -0.334 0.413) 0.696 19.298 ( 0.319 -0.079 -0.389) 0.510 19.307 ( 1.291 -2.976 0.008) 3.243 19.398 ( -0.170 0.284 0.008) 0.331 42.282 ( 1.606 -1.031 0.042) 1.909 42.405 ( -1.822 -0.029 0.375) 1.860 42.415 ( 0.002 2.479 -0.586) 2.547 42.421 ( 0.252 0.453 0.011) 0.518 66.006 ( -0.011 -1.153 1.713) 2.065 66.411 ( -4.946 11.973 -3.172) 13.337 67.379 ( -4.657 -19.668 1.072) 20.241 68.407 ( -13.480 12.792 -2.336) 18.730 ======================= Grid point 38 (27/171) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 4.895 12.304 -0.000) 13.242 2.016 ( 1.696 -2.927 -0.000) 3.383 2.453 ( -10.050 -3.962 0.000) 10.802 2.809 ( 4.226 8.946 -0.000) 9.894 2.841 ( 11.120 -8.491 -0.000) 13.991 2.978 ( 8.611 2.290 -0.000) 8.910 3.396 ( -6.464 4.065 0.000) 7.636 3.948 ( -12.509 -7.782 0.000) 14.732 4.169 ( -2.252 -9.625 0.000) 9.885 4.213 ( 9.670 14.166 -0.000) 17.152 4.444 ( 5.692 0.689 -0.000) 5.734 4.615 ( -4.466 9.314 0.000) 10.330 4.786 ( 2.512 -8.703 0.000) 9.058 4.878 ( 2.036 8.743 -0.000) 8.977 5.161 ( -2.351 -1.968 0.000) 3.066 5.263 ( 3.873 -6.758 -0.000) 7.789 5.388 ( -3.535 0.550 0.000) 3.577 5.611 ( -3.412 2.205 0.000) 4.063 5.870 ( -0.943 1.776 0.000) 2.011 6.241 ( -8.024 8.425 0.000) 11.635 6.466 ( -4.894 -9.322 0.000) 10.529 6.478 ( -2.125 0.873 0.000) 2.298 6.924 ( 3.487 -0.654 -0.000) 3.548 7.235 ( 6.524 -13.169 -0.000) 14.697 7.278 ( -0.362 0.689 0.000) 0.778 7.867 ( 3.313 5.271 -0.000) 6.226 18.938 ( 0.082 0.277 -0.000) 0.289 18.983 ( 0.520 -0.426 -0.000) 0.672 18.995 ( 0.057 0.395 -0.000) 0.399 19.117 ( -1.749 3.984 0.000) 4.351 19.254 ( 1.541 -3.657 -0.000) 3.968 19.273 ( 0.267 -0.456 -0.000) 0.529 19.296 ( -0.069 0.131 0.000) 0.148 19.402 ( -0.085 0.176 0.000) 0.195 42.279 ( -1.834 -0.175 0.000) 1.842 42.393 ( 3.012 -0.351 -0.000) 3.032 42.431 ( -1.078 -0.444 0.000) 1.166 42.444 ( -1.081 2.447 0.000) 2.675 65.998 ( 0.216 -0.861 0.000) 0.888 66.608 ( -5.976 14.135 0.000) 15.346 67.249 ( -1.611 -22.655 0.000) 22.713 68.669 ( -7.308 10.613 0.000) 12.886 ======================= Grid point 45 (28/171) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -0.000 -0.000 23.253) 23.253 1.559 ( -0.000 -0.000 16.077) 16.077 1.914 ( 0.000 0.000 -4.594) 4.594 2.282 ( 0.000 0.000 -21.734) 21.734 2.573 ( -0.000 -0.000 32.285) 32.285 2.986 ( -0.000 -0.000 22.128) 22.128 3.545 ( 0.000 0.000 -22.610) 22.610 3.620 ( -0.000 -0.000 8.169) 8.169 3.700 ( 0.000 0.000 -17.283) 17.283 3.943 ( 0.000 0.000 -9.555) 9.555 4.806 ( -0.000 -0.000 8.384) 8.384 4.951 ( -0.000 -0.000 6.005) 6.005 5.087 ( 0.000 0.000 -1.578) 1.578 5.110 ( 0.000 0.000 -7.964) 7.964 5.444 ( 0.000 0.000 -0.327) 0.327 5.455 ( -0.000 -0.000 1.147) 1.147 5.456 ( -0.000 -0.000 2.284) 2.284 5.518 ( 0.000 0.000 -3.510) 3.510 5.564 ( -0.000 -0.000 1.142) 1.142 5.711 ( 0.000 0.000 -5.991) 5.991 5.978 ( -0.000 -0.000 3.057) 3.057 6.167 ( 0.000 0.000 -7.535) 7.535 7.158 ( -0.000 -0.000 5.127) 5.127 7.248 ( 0.000 0.000 -0.022) 0.022 8.038 ( -0.000 -0.000 4.834) 4.834 8.224 ( 0.000 0.000 -5.670) 5.670 18.929 ( -0.000 -0.000 0.420) 0.420 18.940 ( 0.000 0.000 -0.205) 0.205 18.982 ( -0.000 -0.000 1.610) 1.610 19.042 ( 0.000 0.000 -1.820) 1.820 19.306 ( -0.000 -0.000 0.779) 0.779 19.329 ( 0.000 0.000 -0.608) 0.608 19.378 ( -0.000 -0.000 0.261) 0.261 19.388 ( 0.000 0.000 -0.297) 0.297 42.327 ( -0.000 -0.000 0.221) 0.221 42.333 ( 0.000 0.000 -0.092) 0.092 42.446 ( -0.000 -0.000 0.237) 0.237 42.455 ( 0.000 0.000 -0.256) 0.256 65.900 ( -0.000 -0.000 8.278) 8.278 66.226 ( 0.000 0.000 -10.456) 10.456 67.393 ( -0.000 -0.000 2.284) 2.284 67.435 ( 0.000 0.000 -0.392) 0.392 ======================= Grid point 46 (29/171) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -6.578 0.908 15.326) 16.703 1.790 ( -4.018 3.769 11.505) 12.756 2.021 ( -14.967 8.420 -2.344) 17.333 2.189 ( -10.570 2.685 -18.725) 21.669 2.917 ( -10.093 -1.712 25.884) 27.835 3.150 ( 1.768 0.745 12.196) 12.346 3.397 ( -9.592 -6.922 -10.972) 16.134 3.557 ( -0.045 3.334 -17.047) 17.370 3.713 ( 3.872 5.806 2.187) 7.313 3.883 ( 0.525 10.657 -6.495) 12.491 4.932 ( -3.762 -2.067 6.290) 7.615 5.012 ( 1.366 -2.196 -0.209) 2.595 5.016 ( -1.401 -1.346 4.226) 4.651 5.088 ( -3.044 -0.832 -2.599) 4.088 5.268 ( 11.969 -2.682 0.494) 12.276 5.326 ( 12.917 -0.225 -3.496) 13.383 5.455 ( 3.040 -0.453 -0.220) 3.082 5.475 ( 2.453 0.146 -2.380) 3.421 5.616 ( -2.468 0.282 4.745) 5.356 5.728 ( -4.881 1.938 -5.892) 7.892 6.128 ( -12.808 -1.016 0.864) 12.878 6.180 ( -7.707 0.495 -4.950) 9.173 7.171 ( 3.134 0.420 3.870) 4.997 7.221 ( 2.353 0.648 -1.311) 2.771 8.002 ( 7.346 -4.912 5.102) 10.204 8.125 ( 4.453 -1.425 -5.379) 7.127 18.934 ( 0.021 0.205 0.175) 0.271 18.947 ( -0.516 1.324 -0.095) 1.424 18.997 ( -0.051 0.072 1.596) 1.598 19.025 ( 0.087 0.047 -1.633) 1.636 19.306 ( 0.578 -0.220 0.789) 1.003 19.318 ( 0.495 -0.210 -0.688) 0.873 19.373 ( 0.435 -1.075 0.082) 1.163 19.386 ( -0.179 0.198 -0.095) 0.283 42.342 ( -1.557 -0.457 0.095) 1.625 42.353 ( -2.025 0.773 0.011) 2.168 42.417 ( 3.135 -1.031 0.024) 3.300 42.433 ( 2.159 0.788 -0.068) 2.299 65.992 ( -1.106 1.017 8.432) 8.564 66.164 ( -1.903 2.668 -9.854) 10.385 67.432 ( -5.237 -8.111 0.396) 9.663 67.607 ( -15.081 11.172 -0.682) 18.781 ======================= Grid point 47 (30/171) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -1.255 4.736 -0.000) 4.899 1.922 ( -2.512 2.364 0.000) 3.450 2.233 ( -9.250 -0.392 0.000) 9.259 2.490 ( -15.857 15.483 0.000) 22.162 3.130 ( 0.548 -4.294 0.000) 4.329 3.172 ( -5.385 -3.616 0.000) 6.486 3.461 ( 6.737 -3.225 -0.000) 7.469 3.560 ( -10.581 1.114 0.000) 10.639 3.711 ( -11.156 3.637 0.000) 11.734 4.017 ( 0.156 20.372 -0.000) 20.373 4.849 ( 13.786 -3.749 -0.000) 14.287 4.892 ( 10.299 -0.935 -0.000) 10.341 5.021 ( 5.202 -3.935 -0.000) 6.523 5.030 ( 6.174 -2.410 -0.000) 6.628 5.160 ( -2.715 -4.335 0.000) 5.115 5.248 ( -3.291 1.361 0.000) 3.561 5.366 ( 3.776 -2.366 -0.000) 4.456 5.426 ( -0.657 2.075 -0.000) 2.177 5.721 ( -4.841 1.297 0.000) 5.012 5.828 ( -7.365 6.054 0.000) 9.534 6.307 ( -10.065 -1.265 0.000) 10.144 6.322 ( -12.073 -4.137 0.000) 12.763 7.116 ( 5.383 -0.477 -0.000) 5.404 7.205 ( 0.307 2.915 -0.000) 2.931 7.788 ( 11.224 -11.961 -0.000) 16.402 8.009 ( 6.516 0.969 -0.000) 6.588 18.936 ( 0.088 0.270 -0.000) 0.284 18.972 ( -0.648 1.740 0.000) 1.857 19.003 ( 0.270 -0.329 -0.000) 0.426 19.024 ( -0.552 1.318 0.000) 1.429 19.297 ( 0.706 -0.423 -0.000) 0.823 19.303 ( 0.504 -0.087 -0.000) 0.511 19.348 ( 0.921 -2.134 -0.000) 2.325 19.392 ( -0.231 0.315 0.000) 0.391 42.341 ( 3.542 -1.493 -0.000) 3.844 42.374 ( -2.120 -0.664 0.000) 2.222 42.398 ( -2.044 0.909 0.000) 2.237 42.408 ( 2.047 2.260 -0.000) 3.049 66.034 ( 0.316 -1.630 0.000) 1.660 66.222 ( -4.505 8.900 0.000) 9.976 67.437 ( -6.866 -14.974 0.000) 16.473 68.007 ( -18.225 14.892 0.000) 23.536 ======================= Grid point 58 (31/171) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.000 0.000 -10.244) 10.244 1.786 ( -0.000 -0.000 10.244) 10.244 1.899 ( 0.000 0.000 -22.787) 22.787 1.899 ( -0.000 -0.000 22.787) 22.787 3.081 ( 0.000 0.000 -25.815) 25.815 3.081 ( -0.000 -0.000 25.815) 25.815 3.383 ( 0.000 0.000 -18.366) 18.366 3.383 ( -0.000 -0.000 18.366) 18.366 3.775 ( 0.000 0.000 -9.749) 9.749 3.775 ( -0.000 -0.000 9.749) 9.749 4.956 ( 0.000 0.000 -9.007) 9.007 4.956 ( -0.000 -0.000 9.007) 9.007 5.041 ( 0.000 0.000 -4.354) 4.354 5.041 ( -0.000 -0.000 4.354) 4.354 5.465 ( 0.000 0.000 -2.510) 2.510 5.465 ( -0.000 -0.000 2.510) 2.510 5.470 ( 0.000 0.000 -0.400) 0.400 5.470 ( -0.000 -0.000 0.400) 0.400 5.616 ( 0.000 0.000 -4.741) 4.741 5.616 ( -0.000 -0.000 4.741) 4.741 6.053 ( 0.000 0.000 -5.612) 5.612 6.053 ( -0.000 -0.000 5.612) 5.612 7.225 ( 0.000 0.000 -2.679) 2.679 7.225 ( -0.000 -0.000 2.679) 2.679 8.127 ( 0.000 0.000 -5.518) 5.518 8.127 ( -0.000 -0.000 5.518) 5.518 18.935 ( 0.000 0.000 -0.329) 0.329 18.935 ( -0.000 -0.000 0.329) 0.329 19.011 ( 0.000 0.000 -1.771) 1.771 19.011 ( -0.000 -0.000 1.771) 1.771 19.318 ( 0.000 0.000 -0.697) 0.697 19.318 ( -0.000 -0.000 0.697) 0.697 19.383 ( 0.000 0.000 -0.293) 0.293 19.383 ( -0.000 -0.000 0.293) 0.293 42.331 ( 0.000 0.000 -0.162) 0.162 42.331 ( -0.000 -0.000 0.162) 0.162 42.450 ( 0.000 0.000 -0.258) 0.258 42.450 ( -0.000 -0.000 0.258) 0.258 66.053 ( 0.000 0.000 -9.606) 9.606 66.053 ( -0.000 -0.000 9.606) 9.606 67.422 ( 0.000 0.000 -1.167) 1.167 67.422 ( -0.000 -0.000 1.167) 1.167 ======================= Grid point 106 (32/171) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 0.000 26.022 0.000) 26.022 0.546 ( 0.000 31.078 0.000) 31.078 0.960 ( 0.000 54.175 0.000) 54.175 1.911 ( 0.000 7.336 0.000) 7.336 2.074 ( 0.000 15.418 0.000) 15.418 3.238 ( -0.000 -2.437 -0.000) 2.437 3.432 ( 0.000 10.221 0.000) 10.221 4.158 ( 0.000 4.398 0.000) 4.398 4.186 ( -0.000 -7.513 -0.000) 7.513 4.246 ( -0.000 -10.523 -0.000) 10.523 4.350 ( 0.000 4.891 0.000) 4.891 4.572 ( -0.000 -0.830 -0.000) 0.830 4.922 ( -0.000 -3.543 -0.000) 3.543 5.345 ( 0.000 0.875 0.000) 0.875 5.389 ( -0.000 -0.736 -0.000) 0.736 5.450 ( 0.000 2.392 0.000) 2.392 5.560 ( -0.000 -3.256 -0.000) 3.256 5.586 ( -0.000 -1.787 -0.000) 1.787 5.647 ( -0.000 -3.145 -0.000) 3.145 6.006 ( 0.000 1.926 0.000) 1.926 6.119 ( 0.000 4.947 0.000) 4.947 6.749 ( -0.000 -0.768 -0.000) 0.768 6.973 ( -0.000 -5.445 -0.000) 5.445 7.028 ( -0.000 -2.044 -0.000) 2.044 7.941 ( -0.000 -2.590 -0.000) 2.590 8.416 ( -0.000 -5.711 -0.000) 5.711 18.916 ( 0.000 0.609 0.000) 0.609 18.926 ( 0.000 1.165 0.000) 1.165 19.000 ( -0.000 -0.282 -0.000) 0.282 19.060 ( 0.000 0.950 0.000) 0.950 19.263 ( 0.000 0.388 0.000) 0.388 19.350 ( -0.000 -0.358 -0.000) 0.358 19.360 ( -0.000 -0.998 -0.000) 0.998 19.393 ( -0.000 -0.791 -0.000) 0.791 42.319 ( 0.000 0.364 0.000) 0.364 42.338 ( 0.000 0.337 0.000) 0.337 42.433 ( -0.000 -0.358 -0.000) 0.358 42.462 ( -0.000 -0.334 -0.000) 0.334 65.637 ( 0.000 4.418 0.000) 4.418 66.876 ( 0.000 6.673 0.000) 6.673 67.098 ( -0.000 -3.880 -0.000) 3.880 68.747 ( -0.000 -4.305 -0.000) 4.305 ======================= Grid point 107 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -8.117 21.964 6.931) 24.420 1.018 ( -17.435 21.838 4.743) 28.343 1.726 ( -27.982 39.476 5.559) 48.706 2.040 ( -3.435 11.342 3.941) 12.489 2.318 ( -10.865 18.314 1.826) 21.372 3.227 ( -3.583 -4.216 -4.382) 7.057 3.508 ( 2.639 11.623 -0.339) 11.924 4.014 ( 9.998 -10.134 0.612) 14.249 4.097 ( 4.235 -8.246 3.773) 10.009 4.344 ( -9.348 1.053 0.170) 9.409 4.379 ( 1.889 7.042 -0.509) 7.309 4.544 ( 2.757 -2.289 3.428) 4.960 4.868 ( 2.297 -5.500 1.273) 6.095 4.885 ( 16.668 8.806 -0.252) 18.853 5.432 ( -5.231 2.396 -0.334) 5.763 5.473 ( 5.311 -4.494 -1.153) 7.052 5.520 ( 9.580 -3.139 -0.689) 10.105 5.572 ( -0.161 -2.337 -0.671) 2.436 5.847 ( -3.997 -4.831 -2.159) 6.631 6.154 ( -5.083 4.757 -3.627) 7.850 6.311 ( -27.447 -6.149 -1.861) 28.189 6.717 ( 4.231 -1.737 4.004) 6.079 6.931 ( -0.467 -5.959 -1.199) 6.096 6.996 ( -2.537 -2.695 -3.064) 4.805 7.766 ( 13.629 -1.542 -0.339) 13.721 8.324 ( 3.153 -7.970 -0.973) 8.626 18.923 ( -0.176 0.413 0.222) 0.501 18.939 ( 0.183 1.618 0.101) 1.631 18.996 ( -0.104 0.002 -0.259) 0.279 19.063 ( 0.630 2.400 0.459) 2.524 19.266 ( 0.156 0.525 0.042) 0.549 19.341 ( 0.646 -1.505 -0.028) 1.638 19.343 ( 0.502 -0.897 -0.050) 1.030 19.388 ( -0.343 -0.768 -0.029) 0.842 42.321 ( -0.494 -0.456 0.077) 0.676 42.369 ( -2.368 1.305 -0.003) 2.704 42.387 ( 3.778 -1.790 0.063) 4.181 42.494 ( -2.365 1.580 -0.718) 2.933 65.714 ( -2.861 6.161 1.121) 6.885 66.904 ( 1.578 8.717 -4.475) 9.925 67.157 ( -5.221 -10.159 2.593) 11.713 68.741 ( -12.603 -8.144 -16.829) 22.547 ======================= Grid point 108 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -10.280 17.293 8.589) 21.875 1.477 ( -12.497 15.147 7.162) 20.902 2.210 ( -4.080 10.687 4.985) 12.478 2.411 ( -8.026 24.475 5.804) 26.404 2.826 ( -27.611 19.807 -0.041) 33.981 3.170 ( -1.380 -5.778 -7.737) 9.754 3.535 ( 3.428 6.625 -0.653) 7.488 3.729 ( 13.523 -12.527 2.117) 18.555 3.985 ( 5.487 -6.061 6.595) 10.504 4.377 ( -0.841 0.585 -4.613) 4.725 4.482 ( -2.994 8.468 1.995) 9.201 4.570 ( -0.444 4.437 3.489) 5.662 4.765 ( 2.924 -3.951 -0.297) 4.924 4.901 ( -7.312 -0.051 4.492) 8.582 5.227 ( 18.553 1.008 -1.781) 18.666 5.314 ( 7.645 -7.305 -2.986) 10.987 5.535 ( -1.166 -3.170 -2.418) 4.154 5.587 ( -6.327 3.255 0.553) 7.137 5.813 ( 1.889 -0.297 -1.282) 2.303 6.211 ( -2.906 5.013 -6.803) 8.937 6.607 ( -16.960 -5.986 -3.698) 18.361 6.677 ( 3.735 -1.766 7.017) 8.143 6.852 ( 0.434 -7.119 -2.865) 7.686 7.021 ( -4.765 -3.694 -0.940) 6.102 7.515 ( 13.729 -3.167 0.536) 14.100 8.169 ( 5.125 -8.996 -1.306) 10.436 18.933 ( -0.199 0.580 0.385) 0.724 18.949 ( 0.311 1.440 0.123) 1.479 18.997 ( -0.049 -0.283 0.287) 0.406 19.092 ( -0.773 3.439 -0.167) 3.529 19.268 ( 0.207 0.572 0.023) 0.609 19.301 ( 1.479 -2.954 0.037) 3.303 19.329 ( 0.539 -0.463 -0.202) 0.739 19.390 ( -0.583 -0.666 -0.014) 0.885 42.306 ( 3.520 -1.641 0.114) 3.885 42.336 ( -1.872 -1.137 0.291) 2.210 42.418 ( -1.543 1.678 -0.029) 2.280 42.531 ( -0.628 2.795 -1.414) 3.195 65.839 ( -3.722 6.544 1.340) 7.646 66.921 ( 0.931 11.179 -5.615) 12.545 67.116 ( 1.012 -10.411 1.913) 10.634 68.731 ( -10.040 -9.085 -10.968) 17.426 ======================= Grid point 109 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -10.353 13.599 7.673) 18.735 1.814 ( -6.834 11.203 7.433) 15.082 2.374 ( -1.468 8.842 2.401) 9.279 2.660 ( 2.315 13.853 5.918) 15.241 2.958 ( 3.436 -5.392 -10.765) 12.521 3.403 ( 5.874 -8.001 -1.203) 9.998 3.432 ( -4.904 8.435 1.656) 9.896 3.541 ( -4.327 6.861 4.166) 9.119 4.007 ( -6.638 -4.115 5.292) 9.433 4.341 ( -1.133 -3.622 -4.036) 5.540 4.585 ( 1.198 7.283 -0.790) 7.423 4.683 ( 3.176 -5.494 -1.041) 6.431 4.770 ( -7.483 14.975 5.216) 17.535 4.870 ( 17.530 3.319 -1.445) 17.900 5.098 ( 4.791 -7.405 -3.658) 9.548 5.126 ( -8.453 -2.308 5.380) 10.282 5.490 ( -0.392 -3.935 -2.634) 4.752 5.708 ( -3.061 2.157 -0.691) 3.808 5.776 ( 1.920 2.567 0.429) 3.235 6.233 ( -2.758 2.820 -5.986) 7.169 6.664 ( 2.324 -3.114 2.377) 4.555 6.693 ( -2.027 -3.158 -0.261) 3.761 6.777 ( -3.938 -10.312 -2.801) 11.388 7.034 ( -1.374 -2.890 -2.100) 3.827 7.327 ( 6.394 -1.132 1.971) 6.786 7.999 ( 4.884 -7.991 -0.518) 9.380 18.944 ( 0.172 0.933 0.341) 1.008 18.958 ( 0.027 0.960 0.165) 0.974 18.997 ( -0.012 -0.350 0.328) 0.480 19.141 ( -1.409 3.955 -0.310) 4.209 19.245 ( 1.813 -3.664 0.080) 4.088 19.270 ( 0.222 0.533 -0.008) 0.578 19.315 ( 0.510 -0.395 -0.237) 0.687 19.393 ( -0.581 -0.743 -0.002) 0.944 42.261 ( 0.717 -0.416 0.209) 0.855 42.367 ( -2.771 -1.374 0.391) 3.118 42.435 ( 1.275 1.331 -0.097) 1.845 42.535 ( 1.219 2.303 -1.573) 3.044 65.951 ( -1.992 5.446 0.731) 5.844 66.987 ( -0.935 -12.657 0.713) 12.711 66.990 ( 3.195 15.334 -5.437) 16.580 68.732 ( -7.544 -8.443 -4.549) 12.202 ======================= Grid point 110 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -6.224 10.852 4.033) 13.144 2.010 ( -0.541 5.792 6.758) 8.917 2.444 ( 1.295 6.017 -0.972) 6.231 2.710 ( 1.548 -0.827 -2.958) 3.439 2.777 ( 8.025 5.734 -2.033) 10.070 3.166 ( 7.810 -6.621 5.724) 11.730 3.544 ( -2.963 3.628 1.998) 5.093 3.826 ( -10.326 6.495 -2.691) 12.492 4.087 ( -1.720 -6.637 -0.076) 6.856 4.268 ( 2.916 -10.225 -2.095) 10.837 4.435 ( 11.119 4.701 -1.216) 12.133 4.648 ( 0.553 5.806 -2.453) 6.327 4.738 ( 1.044 0.040 1.783) 2.067 4.937 ( 3.415 -2.136 -1.529) 4.308 5.112 ( -9.749 11.455 4.305) 15.646 5.248 ( -0.767 -2.943 1.051) 3.218 5.448 ( -0.918 -2.811 -1.311) 3.235 5.682 ( 0.811 -2.809 -0.035) 2.924 5.829 ( 0.278 5.664 0.620) 5.705 6.255 ( -3.189 -0.988 -2.821) 4.371 6.563 ( 2.345 -7.028 -0.297) 7.414 6.715 ( -0.067 -4.366 1.646) 4.667 6.738 ( -3.481 0.424 -0.912) 3.624 7.016 ( -0.969 1.334 -3.233) 3.629 7.294 ( -0.413 -2.207 0.735) 2.363 7.889 ( 1.969 -4.150 1.900) 4.971 18.949 ( 0.570 1.180 0.209) 1.327 18.966 ( -0.091 0.428 0.068) 0.443 18.997 ( -0.038 -0.170 0.242) 0.299 19.181 ( 1.860 -3.934 0.145) 4.354 19.199 ( -1.569 3.877 -0.275) 4.192 19.269 ( 0.210 0.329 -0.125) 0.410 19.304 ( 0.243 -0.208 -0.117) 0.340 19.395 ( -0.489 -0.898 0.006) 1.022 42.281 ( -2.385 0.906 0.158) 2.556 42.396 ( 2.358 0.322 0.064) 2.381 42.405 ( -0.916 -0.710 0.107) 1.164 42.507 ( 2.193 0.407 -1.011) 2.449 66.010 ( 0.304 4.634 0.188) 4.647 66.808 ( 4.590 -14.659 1.206) 15.408 67.124 ( -3.687 16.851 -6.593) 18.467 68.753 ( -4.819 -6.566 0.984) 8.204 ======================= Grid point 111 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 10.465 3.788 -3.863) 11.781 2.075 ( 3.483 1.262 4.262) 5.647 2.443 ( 1.811 2.401 -0.777) 3.107 2.593 ( 0.941 -1.945 -7.283) 7.597 2.793 ( 1.848 7.003 6.530) 9.752 3.163 ( -1.837 2.772 5.366) 6.313 3.587 ( 3.465 1.279 -0.629) 3.746 3.846 ( 3.607 -2.460 -10.177) 11.074 3.995 ( -4.977 -10.527 -2.246) 11.858 4.134 ( -0.489 -8.054 0.838) 8.112 4.398 ( 1.985 -0.321 3.002) 3.613 4.611 ( 1.578 0.600 -4.354) 4.670 4.756 ( 3.462 0.942 3.219) 4.821 4.926 ( 0.944 -3.644 1.380) 4.009 5.113 ( 7.399 4.584 -2.815) 9.148 5.364 ( -7.829 6.211 0.745) 10.022 5.455 ( -0.586 0.394 0.374) 0.799 5.690 ( -2.454 -1.761 1.301) 3.289 5.831 ( 4.586 3.046 0.275) 5.513 6.231 ( 2.440 -4.143 0.806) 4.875 6.529 ( -3.309 -5.017 2.838) 6.647 6.734 ( -3.579 1.722 -3.081) 5.026 6.844 ( -3.692 6.048 5.255) 8.822 7.042 ( -4.416 3.730 -5.279) 7.828 7.274 ( -0.927 -4.474 -1.142) 4.710 7.906 ( -2.264 0.584 4.490) 5.062 18.950 ( 0.739 1.244 0.164) 1.456 18.967 ( 0.204 0.027 -0.248) 0.322 19.000 ( -0.103 0.056 0.133) 0.177 19.118 ( 1.737 -3.989 0.198) 4.355 19.256 ( -1.577 3.510 -0.206) 3.853 19.266 ( 0.179 0.060 -0.272) 0.331 19.303 ( -0.171 0.127 0.112) 0.241 19.394 ( -0.378 -1.072 0.009) 1.136 42.332 ( 2.522 1.185 -0.040) 2.787 42.347 ( -1.796 1.244 -0.002) 2.185 42.424 ( -0.958 -0.949 -0.015) 1.349 42.461 ( 1.753 -2.008 0.015) 2.666 66.030 ( 2.488 4.742 -0.139) 5.357 66.624 ( 2.479 -15.811 2.011) 16.130 67.267 ( -3.335 15.376 -7.353) 17.367 68.790 ( -1.545 -3.853 5.847) 7.171 ======================= Grid point 112 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 15.055 -2.901 -10.478) 18.571 1.974 ( 12.504 3.592 -0.194) 13.011 2.389 ( 5.178 -5.170 0.682) 7.349 2.473 ( 5.103 -0.407 -9.068) 10.413 2.966 ( -5.405 6.160 11.623) 14.222 3.259 ( -2.008 1.517 0.722) 2.618 3.475 ( 13.895 -2.414 -0.620) 14.116 3.660 ( -3.269 4.285 -11.732) 12.911 4.038 ( -9.534 -7.937 -4.990) 13.371 4.118 ( -4.305 -12.448 3.971) 13.757 4.402 ( -1.761 -3.169 1.402) 3.887 4.555 ( 7.579 -8.265 1.202) 11.278 4.607 ( -1.016 0.563 -5.432) 5.555 4.869 ( 1.163 4.269 -1.455) 4.658 5.200 ( -2.631 9.299 4.396) 10.617 5.434 ( 6.044 3.021 -3.270) 7.506 5.467 ( -2.137 -1.379 2.072) 3.280 5.725 ( -1.694 -0.218 0.982) 1.970 5.760 ( 5.629 0.446 1.549) 5.855 6.173 ( 4.419 -1.591 6.283) 7.845 6.576 ( -2.875 -4.356 3.506) 6.288 6.758 ( -1.169 2.566 -5.558) 6.232 6.994 ( -2.883 5.410 0.795) 6.181 7.147 ( -3.679 4.199 -0.681) 5.624 7.270 ( -6.115 -0.543 0.049) 6.139 8.029 ( -5.460 2.555 4.897) 7.766 18.950 ( 0.845 1.352 0.146) 1.602 18.957 ( 0.442 -0.122 -0.455) 0.646 19.001 ( 0.119 -0.270 0.031) 0.297 19.062 ( 1.147 -3.242 0.029) 3.439 19.261 ( 0.063 -0.149 -0.255) 0.301 19.304 ( -1.157 1.509 -0.005) 1.901 19.316 ( -0.722 1.688 0.117) 1.840 19.389 ( -0.305 -1.228 -0.000) 1.266 42.297 ( 1.740 2.047 0.104) 2.688 42.399 ( -1.756 0.539 -0.133) 1.841 42.410 ( 0.729 -2.312 0.450) 2.466 42.429 ( 0.238 -1.798 0.108) 1.817 65.990 ( 6.251 2.699 -0.974) 6.879 66.521 ( -2.805 -12.036 3.398) 12.817 67.365 ( -1.932 11.223 -6.721) 13.224 68.833 ( 2.372 -1.089 10.656) 10.971 ======================= Grid point 113 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 14.822 -3.709 -14.824) 21.289 1.724 ( 19.704 3.663 -5.132) 20.688 2.159 ( 13.313 -10.101 -1.999) 16.831 2.285 ( 7.627 0.597 -10.036) 12.619 3.025 ( 29.789 -2.962 -0.772) 29.946 3.220 ( -2.658 4.430 9.454) 10.773 3.307 ( -4.061 -2.920 0.260) 5.009 3.839 ( -13.825 9.508 -6.262) 17.909 4.013 ( -2.429 -2.935 -8.635) 9.438 4.116 ( -5.989 -12.200 4.725) 14.389 4.303 ( 3.803 -3.704 1.146) 5.431 4.521 ( -5.001 0.351 -5.462) 7.414 4.791 ( -20.598 -0.578 1.346) 20.650 4.902 ( -1.230 3.330 -0.309) 3.564 5.181 ( 15.205 0.614 -3.431) 15.599 5.396 ( -2.248 6.623 2.721) 7.504 5.503 ( -2.413 -3.226 3.377) 5.257 5.677 ( 6.952 0.181 1.678) 7.154 5.771 ( -2.436 0.155 1.671) 2.958 6.159 ( 5.346 0.313 9.367) 10.789 6.596 ( -0.163 -3.597 3.927) 5.328 6.735 ( -1.445 0.926 -7.163) 7.365 7.045 ( 0.694 3.434 -1.624) 3.861 7.144 ( 1.400 -0.377 -1.604) 2.163 7.477 ( -8.949 4.403 5.027) 11.169 8.192 ( -6.903 2.031 3.805) 8.140 18.944 ( 0.534 0.007 -0.548) 0.765 18.949 ( 0.895 1.513 0.232) 1.773 18.984 ( 0.954 -1.972 0.423) 2.231 19.033 ( -0.239 -0.970 -0.844) 1.308 19.258 ( -0.058 -0.123 -0.151) 0.203 19.323 ( -0.777 0.104 0.220) 0.814 19.352 ( -0.839 2.267 -0.021) 2.417 19.383 ( -0.370 -1.328 -0.011) 1.379 42.319 ( -1.369 2.982 0.229) 3.289 42.386 ( -0.111 -2.675 0.793) 2.792 42.406 ( 0.822 -0.772 -0.125) 1.135 42.410 ( 0.581 -0.894 -0.139) 1.076 65.865 ( 7.908 -0.331 -1.671) 8.089 66.561 ( -6.140 -4.966 4.164) 8.927 67.414 ( -0.952 5.956 -4.460) 7.502 68.871 ( 7.154 0.598 16.839) 18.306 ======================= Grid point 114 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 14.403 0.000 -18.165) 23.182 1.291 ( 28.096 0.000 -7.897) 29.185 1.758 ( 27.115 0.000 -6.974) 27.998 2.080 ( 6.775 0.000 -9.381) 11.572 2.436 ( 34.720 -0.000 1.020) 34.735 3.300 ( -3.916 0.000 -4.902) 6.274 3.338 ( 6.705 -0.000 11.764) 13.540 4.009 ( -7.887 0.000 -5.068) 9.375 4.102 ( -16.693 0.000 -7.449) 18.280 4.215 ( -6.146 -0.000 5.048) 7.953 4.275 ( 0.284 -0.000 1.700) 1.724 4.551 ( -4.086 0.000 -5.449) 6.811 4.868 ( 16.457 0.000 -1.409) 16.517 4.938 ( -1.781 0.000 -1.713) 2.471 5.202 ( -24.429 -0.000 0.928) 24.446 5.499 ( -3.347 -0.000 2.930) 4.449 5.543 ( 4.260 -0.000 1.847) 4.643 5.563 ( 3.006 -0.000 1.118) 3.207 5.840 ( -3.676 -0.000 2.503) 4.447 6.146 ( 5.987 -0.000 8.340) 10.266 6.610 ( 0.273 -0.000 4.501) 4.509 6.719 ( -3.374 0.000 -6.144) 7.010 7.007 ( 6.259 -0.000 3.139) 7.002 7.100 ( 1.530 0.000 -2.612) 3.027 7.659 ( -5.700 -0.000 4.296) 7.138 8.338 ( -6.119 -0.000 2.369) 6.562 18.932 ( 0.437 0.000 -0.448) 0.626 18.953 ( 0.594 -0.000 0.001) 0.594 18.953 ( 1.302 -0.000 1.085) 1.695 19.029 ( -1.025 0.000 -1.904) 2.162 19.258 ( -0.107 0.000 -0.049) 0.118 19.337 ( -0.700 -0.000 0.181) 0.723 19.370 ( -0.013 0.000 -0.044) 0.046 19.386 ( -0.808 -0.000 0.035) 0.808 42.367 ( 2.135 -0.000 0.007) 2.135 42.373 ( -0.181 -0.000 0.131) 0.224 42.380 ( -0.597 0.000 -0.187) 0.626 42.407 ( -2.108 -0.000 0.700) 2.221 65.727 ( 6.387 0.000 -1.702) 6.610 66.676 ( -5.757 -0.000 3.724) 6.857 67.428 ( -0.694 0.000 -1.826) 1.954 68.892 ( 14.028 -0.000 27.748) 31.092 ======================= Grid point 115 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 19.650 -0.000 -0.000) 19.650 1.220 ( 30.597 -0.000 -0.000) 30.597 1.698 ( 31.017 -0.000 -0.000) 31.017 1.997 ( 7.821 -0.000 -0.000) 7.821 2.457 ( 35.445 -0.000 -0.000) 35.445 3.247 ( -5.226 0.000 0.000) 5.226 3.454 ( 9.748 -0.000 -0.000) 9.748 3.948 ( -12.962 0.000 0.000) 12.962 4.020 ( -13.801 0.000 0.000) 13.801 4.265 ( -5.568 0.000 0.000) 5.568 4.301 ( 0.457 -0.000 -0.000) 0.457 4.497 ( -4.082 0.000 0.000) 4.082 4.857 ( 15.959 -0.000 -0.000) 15.959 4.923 ( -0.912 0.000 0.000) 0.912 5.210 ( -24.812 0.000 0.000) 24.812 5.525 ( -3.782 0.000 0.000) 3.782 5.558 ( 9.733 -0.000 -0.000) 9.733 5.574 ( -1.386 0.000 0.000) 1.386 5.862 ( -4.897 0.000 0.000) 4.897 6.230 ( 7.200 -0.000 -0.000) 7.200 6.653 ( -0.942 0.000 0.000) 0.942 6.658 ( -4.186 0.000 0.000) 4.186 7.025 ( -0.869 0.000 0.000) 0.869 7.074 ( 2.495 -0.000 -0.000) 2.495 7.712 ( -4.323 0.000 0.000) 4.323 8.358 ( -5.981 0.000 0.000) 5.981 18.928 ( 0.466 -0.000 -0.000) 0.466 18.953 ( 0.597 -0.000 -0.000) 0.597 18.971 ( 0.890 -0.000 -0.000) 0.890 19.002 ( -0.030 0.000 0.000) 0.030 19.258 ( -0.107 0.000 0.000) 0.107 19.339 ( -0.712 0.000 0.000) 0.712 19.370 ( 0.003 -0.000 -0.000) 0.003 19.386 ( -0.833 0.000 0.000) 0.833 42.367 ( 2.350 -0.000 -0.000) 2.350 42.375 ( 1.872 -0.000 -0.000) 1.872 42.377 ( -2.646 0.000 0.000) 2.646 42.414 ( -2.333 0.000 0.000) 2.333 65.712 ( 6.691 -0.000 -0.000) 6.691 66.708 ( -6.184 0.000 0.000) 6.184 67.412 ( -1.460 0.000 0.000) 1.460 69.172 ( -1.205 0.000 0.000) 1.205 ======================= Grid point 117 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -0.000 17.223 16.718) 24.002 0.648 ( -0.000 25.739 11.144) 28.048 1.174 ( -0.000 43.382 22.254) 48.757 1.978 ( -0.000 7.535 6.159) 9.732 2.117 ( -0.000 15.102 6.287) 16.359 3.161 ( 0.000 -1.522 -8.941) 9.070 3.437 ( 0.000 8.437 0.530) 8.453 4.155 ( -0.000 1.059 0.799) 1.327 4.209 ( 0.000 -8.932 -4.320) 9.922 4.285 ( 0.000 0.264 -1.791) 1.810 4.405 ( -0.000 -8.108 10.579) 13.329 4.628 ( -0.000 -1.240 5.796) 5.927 4.938 ( -0.000 -3.833 1.829) 4.247 5.344 ( 0.000 0.047 -0.454) 0.456 5.358 ( 0.000 -1.904 -2.489) 3.134 5.436 ( 0.000 2.827 -1.356) 3.135 5.552 ( 0.000 -2.839 -0.999) 3.010 5.580 ( 0.000 -1.564 -0.728) 1.725 5.635 ( 0.000 -3.138 -1.361) 3.421 5.981 ( 0.000 1.836 -2.832) 3.375 6.076 ( 0.000 4.221 -4.321) 6.040 6.806 ( -0.000 -0.289 6.054) 6.061 6.833 ( 0.000 8.055 -15.933) 17.854 7.031 ( -0.000 -5.575 4.830) 7.376 7.901 ( 0.000 0.105 -2.010) 2.013 8.397 ( 0.000 -5.795 -2.212) 6.203 18.919 ( -0.000 0.790 0.319) 0.852 18.930 ( -0.000 0.985 0.395) 1.061 18.977 ( 0.000 2.087 -1.194) 2.404 19.085 ( -0.000 -1.780 0.988) 2.036 19.266 ( -0.000 0.255 0.361) 0.442 19.348 ( 0.000 -0.368 -0.202) 0.420 19.360 ( -0.000 -0.988 0.089) 0.992 19.392 ( -0.000 -0.792 -0.110) 0.800 42.320 ( -0.000 0.368 0.118) 0.387 42.338 ( 0.000 0.342 -0.007) 0.342 42.434 ( -0.000 -0.359 0.089) 0.370 42.458 ( 0.000 -0.464 -0.297) 0.551 65.659 ( -0.000 4.456 2.508) 5.113 66.785 ( 0.000 4.558 -8.598) 9.732 67.166 ( -0.000 -1.692 5.924) 6.161 68.183 ( 0.000 33.467 -38.499) 51.012 ======================= Grid point 118 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -8.959 13.373 15.116) 22.081 1.161 ( -17.873 18.365 11.385) 28.042 1.910 ( -21.301 33.836 15.443) 42.861 2.150 ( -3.030 11.668 7.504) 14.200 2.397 ( -8.590 18.003 8.239) 21.581 3.086 ( -3.024 -2.868 -11.556) 12.285 3.490 ( 0.574 5.985 -2.011) 6.340 4.022 ( 8.406 -8.577 -0.579) 12.024 4.151 ( 1.316 -3.321 1.476) 3.865 4.295 ( -1.296 3.445 -5.544) 6.655 4.456 ( 0.374 -0.738 9.016) 9.054 4.636 ( 2.585 -1.877 6.396) 7.150 4.882 ( 15.321 7.407 0.306) 17.020 4.909 ( 1.535 -5.886 3.361) 6.949 5.400 ( 3.703 -4.002 -4.035) 6.783 5.457 ( -2.209 1.367 -0.069) 2.599 5.497 ( 8.740 -2.702 -2.013) 9.367 5.552 ( 0.938 -2.083 -1.437) 2.698 5.782 ( -5.901 -2.697 -5.087) 8.244 6.060 ( -3.381 4.998 -6.225) 8.670 6.253 ( -26.568 -5.954 -4.683) 27.627 6.760 ( -0.465 0.955 -10.600) 10.653 6.844 ( 1.994 0.977 5.323) 5.767 7.035 ( -1.669 -6.460 5.184) 8.449 7.764 ( 12.258 -1.908 0.334) 12.410 8.290 ( 2.732 -7.795 -3.004) 8.789 18.930 ( -0.084 0.626 0.562) 0.845 18.943 ( 0.228 1.447 0.366) 1.510 18.991 ( -0.462 1.369 -0.280) 1.471 19.071 ( 0.632 0.557 0.169) 0.859 19.268 ( 0.277 0.401 0.291) 0.567 19.338 ( 0.386 -0.653 -0.292) 0.813 19.343 ( 0.809 -1.762 0.062) 1.939 19.387 ( -0.413 -0.762 -0.085) 0.871 42.323 ( -0.538 -0.413 0.210) 0.710 42.369 ( -2.328 1.266 -0.001) 2.650 42.389 ( 3.693 -1.699 0.156) 4.068 42.477 ( -1.629 1.607 -1.108) 2.542 65.751 ( -2.263 6.036 3.140) 7.171 66.780 ( -2.150 5.313 -9.282) 10.909 67.216 ( -0.685 -6.136 3.676) 7.186 68.343 ( -20.488 8.522 -24.002) 32.687 ======================= Grid point 119 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -10.110 10.482 12.680) 19.310 1.636 ( -10.646 14.480 10.812) 20.974 2.325 ( -2.538 7.496 8.018) 11.265 2.555 ( -6.190 24.424 10.866) 27.439 2.820 ( -13.224 10.907 -2.291) 17.294 3.027 ( -9.231 1.138 -6.223) 11.191 3.508 ( -0.365 3.886 -2.741) 4.770 3.769 ( 11.108 -11.411 1.785) 16.025 4.086 ( 6.565 -2.302 3.945) 7.997 4.289 ( -1.970 1.127 -5.048) 5.535 4.531 ( -2.422 5.580 3.608) 7.073 4.634 ( 2.584 2.813 4.134) 5.629 4.800 ( 3.753 -2.740 4.648) 6.573 4.976 ( -7.992 -0.797 3.779) 8.876 5.178 ( 12.007 -1.392 -3.901) 12.701 5.258 ( 11.769 -4.937 -3.065) 13.126 5.481 ( -0.881 -3.404 -3.776) 5.160 5.599 ( -4.840 4.396 0.980) 6.612 5.773 ( -0.196 0.902 -3.544) 3.663 6.100 ( -2.843 5.185 -5.503) 8.078 6.516 ( -17.320 -6.773 -6.701) 19.768 6.684 ( -2.161 -3.734 -9.307) 10.258 6.856 ( 3.661 0.113 7.091) 7.981 7.057 ( -2.428 -6.490 4.374) 8.194 7.524 ( 13.174 -3.440 0.525) 13.626 8.134 ( 4.554 -7.651 -2.742) 9.317 18.942 ( 0.130 0.954 0.532) 1.100 18.953 ( 0.201 1.080 0.414) 1.174 19.002 ( -0.051 0.103 0.281) 0.304 19.087 ( -0.863 2.912 -0.411) 3.065 19.270 ( 0.270 0.412 0.180) 0.524 19.302 ( 1.473 -2.908 0.059) 3.260 19.324 ( 0.509 -0.483 -0.382) 0.799 19.390 ( -0.621 -0.672 -0.021) 0.915 42.309 ( 3.419 -1.477 0.208) 3.731 42.342 ( -1.786 -1.038 0.478) 2.120 42.418 ( -1.558 1.538 -0.051) 2.190 42.502 ( -0.441 2.761 -1.795) 3.323 65.873 ( -2.649 5.933 2.634) 7.011 66.794 ( -1.841 9.427 -8.932) 13.117 67.150 ( 2.466 -9.716 1.942) 10.210 68.519 ( -15.859 -0.576 -12.274) 20.062 ======================= Grid point 120 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -9.043 8.456 9.540) 15.630 1.950 ( -3.875 12.505 7.906) 15.294 2.454 ( 1.035 4.345 7.158) 8.437 2.736 ( 3.469 -3.003 -7.518) 8.807 2.819 ( 5.486 14.286 5.632) 16.307 3.311 ( -7.900 0.340 -6.535) 10.258 3.445 ( 7.541 6.393 -2.787) 10.272 3.682 ( -6.901 -3.693 10.666) 13.230 4.053 ( -2.676 -0.795 -0.957) 2.951 4.308 ( -4.127 -2.829 0.711) 5.053 4.536 ( 3.579 0.153 -2.739) 4.509 4.696 ( 6.203 -2.590 1.303) 6.847 4.850 ( 13.128 9.043 -0.586) 15.952 4.875 ( -4.638 8.350 5.869) 11.211 5.019 ( 4.668 -5.715 -3.972) 8.380 5.218 ( -8.905 -3.710 4.191) 10.518 5.438 ( -1.352 -3.244 -3.350) 4.855 5.686 ( -0.986 1.253 -2.278) 2.780 5.783 ( -0.894 5.333 0.904) 5.482 6.157 ( -3.949 3.187 -2.773) 5.783 6.593 ( -3.418 -2.273 -5.924) 7.207 6.611 ( -6.982 -9.487 -9.480) 15.120 6.843 ( 4.951 -0.210 6.869) 8.470 7.048 ( 0.752 -7.230 3.149) 7.921 7.342 ( 4.790 -2.468 -0.151) 5.391 7.985 ( 4.198 -4.745 -1.049) 6.422 18.949 ( 0.579 1.367 0.269) 1.508 18.964 ( -0.065 0.479 0.513) 0.705 19.002 ( 0.126 -0.221 0.223) 0.338 19.135 ( -1.542 3.876 -0.414) 4.192 19.247 ( 1.756 -3.626 0.098) 4.030 19.270 ( 0.273 0.318 0.082) 0.427 19.310 ( 0.391 -0.364 -0.364) 0.646 19.394 ( -0.592 -0.744 0.009) 0.951 42.266 ( 0.840 -0.260 0.274) 0.921 42.375 ( -2.648 -1.288 0.518) 2.990 42.433 ( 1.215 1.119 -0.122) 1.657 42.506 ( 0.781 2.354 -1.732) 3.025 65.968 ( -1.065 4.591 1.326) 4.896 66.862 ( -2.189 14.947 -8.307) 17.240 67.017 ( 1.888 -15.236 1.834) 15.462 68.654 ( -10.846 -2.031 -4.187) 11.803 ======================= Grid point 121 (46/171) ======================= q-point: ( 0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -0.487 6.433 3.459) 7.320 2.126 ( 0.002 7.225 6.386) 9.643 2.489 ( 5.786 3.690 6.392) 9.378 2.574 ( 2.611 -1.448 -8.513) 9.022 2.856 ( 7.048 7.866 7.089) 12.721 3.182 ( 4.988 0.274 -4.237) 6.550 3.506 ( -6.266 1.491 -5.568) 8.514 3.849 ( -3.400 -3.866 4.482) 6.827 4.051 ( 0.858 -2.651 -3.398) 4.394 4.270 ( 7.021 -10.923 1.608) 13.085 4.442 ( 2.083 5.220 2.049) 5.982 4.596 ( 1.734 -0.466 -3.107) 3.588 4.797 ( 3.747 3.627 4.611) 6.961 4.913 ( -3.343 2.408 -0.676) 4.175 5.162 ( -6.849 9.913 1.207) 12.109 5.243 ( 4.695 -6.570 -1.946) 8.306 5.423 ( -2.740 -1.294 -1.536) 3.398 5.668 ( -1.783 -1.672 -1.337) 2.786 5.859 ( 1.590 5.700 2.682) 6.497 6.229 ( -5.222 -1.872 -0.225) 5.552 6.549 ( -0.657 -3.207 -1.454) 3.582 6.602 ( -6.507 -1.084 -7.465) 9.962 6.839 ( 1.415 1.585 5.626) 6.014 6.984 ( 0.898 -5.110 -0.474) 5.210 7.289 ( -0.484 -3.835 -1.150) 4.033 7.921 ( 1.188 0.232 1.694) 2.082 18.952 ( 0.750 1.424 0.152) 1.617 18.969 ( 0.147 0.075 0.269) 0.315 19.000 ( 0.074 -0.020 0.098) 0.124 19.184 ( 1.710 -3.687 0.145) 4.067 19.194 ( -1.571 3.646 -0.279) 3.980 19.268 ( 0.247 0.040 -0.091) 0.266 19.301 ( 0.037 -0.090 -0.165) 0.191 19.395 ( -0.482 -0.886 0.022) 1.009 42.284 ( -2.196 0.978 0.173) 2.410 42.396 ( 3.605 0.656 -0.078) 3.665 42.409 ( -1.981 -1.197 0.278) 2.331 42.490 ( 1.268 0.529 -0.938) 1.664 66.014 ( 0.656 4.212 0.307) 4.274 66.829 ( 4.100 -13.106 1.163) 13.781 67.008 ( -5.922 10.807 -6.531) 13.947 68.772 ( -6.821 -0.966 1.145) 6.983 ======================= Grid point 122 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 14.517 -1.409 -4.654) 15.310 2.152 ( 9.895 4.515 4.264) 11.683 2.459 ( 5.679 6.185 -0.726) 8.428 2.516 ( 1.662 -2.000 1.698) 3.106 2.922 ( -2.497 5.130 7.864) 9.716 3.168 ( -3.501 6.415 -5.271) 9.010 3.496 ( 1.083 -0.299 -7.789) 7.870 3.747 ( 7.314 -10.149 -1.175) 12.565 3.938 ( -2.235 -9.590 -4.028) 10.639 4.208 ( -3.544 -9.755 6.292) 12.137 4.453 ( 3.110 2.386 2.646) 4.729 4.531 ( 2.118 0.803 -4.161) 4.737 4.831 ( 0.961 0.693 4.941) 5.081 4.900 ( 12.079 -11.069 -3.564) 16.766 5.110 ( -1.100 10.519 2.221) 10.807 5.336 ( -6.432 7.534 -3.812) 10.614 5.458 ( -2.487 -0.597 0.160) 2.563 5.696 ( -2.514 -0.698 -0.380) 2.637 5.854 ( 5.102 1.973 1.766) 5.748 6.270 ( -0.448 -1.925 3.609) 4.115 6.563 ( -5.046 -3.932 -0.531) 6.419 6.671 ( -2.794 5.042 -1.842) 6.052 6.903 ( -1.806 -0.867 -1.485) 2.493 6.995 ( -7.264 4.966 1.964) 9.016 7.248 ( -0.688 -4.486 -1.731) 4.857 7.973 ( -2.332 3.590 3.170) 5.327 18.952 ( 0.839 1.406 0.079) 1.640 18.964 ( 0.480 -0.145 -0.027) 0.502 19.001 ( 0.014 0.132 -0.006) 0.132 19.121 ( 1.733 -4.038 0.141) 4.396 19.253 ( -1.669 3.548 -0.165) 3.924 19.262 ( 0.157 -0.170 -0.166) 0.285 19.304 ( -0.339 0.202 0.032) 0.396 19.394 ( -0.359 -1.058 0.021) 1.117 42.332 ( 2.872 1.151 0.079) 3.096 42.346 ( -2.100 1.246 -0.109) 2.444 42.424 ( -0.665 -0.953 0.006) 1.162 42.462 ( 0.778 -2.015 0.068) 2.161 66.027 ( 2.894 4.677 -0.099) 5.501 66.659 ( 0.950 -17.252 2.025) 17.397 67.149 ( -4.888 12.391 -6.020) 14.618 68.882 ( -3.652 0.960 4.605) 5.956 ======================= Grid point 123 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 18.745 -5.309 -7.583) 20.906 1.974 ( 18.061 4.758 0.060) 18.678 2.349 ( 8.482 1.049 -4.881) 9.842 2.434 ( 9.973 -4.203 3.599) 11.405 3.153 ( -7.050 6.156 6.380) 11.327 3.222 ( -5.092 -2.339 -0.631) 5.639 3.479 ( 12.092 -4.823 -0.950) 13.053 3.492 ( -4.320 8.189 -5.310) 10.673 3.908 ( -8.076 -11.172 -8.145) 16.012 4.211 ( -3.600 -15.655 5.266) 16.905 4.435 ( 3.341 0.970 0.806) 3.571 4.511 ( 6.397 -5.627 -3.244) 9.116 4.565 ( -2.429 -1.086 -0.962) 2.829 4.876 ( 0.052 1.968 1.659) 2.575 5.267 ( -1.823 8.950 3.206) 9.680 5.365 ( 6.319 5.870 -3.904) 9.467 5.504 ( -3.470 -2.408 1.705) 4.555 5.725 ( -2.274 0.428 -0.500) 2.367 5.788 ( 4.765 -0.015 1.292) 4.937 6.298 ( 2.953 1.671 7.766) 8.475 6.600 ( -3.782 -1.062 -3.380) 5.182 6.692 ( 0.389 -3.378 0.565) 3.447 6.934 ( -4.679 3.765 -5.218) 7.956 7.167 ( 0.356 -0.518 0.921) 1.115 7.296 ( -10.925 6.033 2.441) 12.716 8.094 ( -4.961 3.959 2.641) 6.875 18.949 ( 0.779 0.709 -0.199) 1.072 18.955 ( 0.759 0.622 0.098) 0.986 19.001 ( 0.080 -0.003 -0.029) 0.085 19.062 ( 1.380 -3.646 -0.070) 3.899 19.258 ( 0.010 -0.217 -0.091) 0.236 19.303 ( -1.354 1.945 -0.037) 2.370 19.317 ( -0.690 1.270 0.067) 1.446 19.389 ( -0.282 -1.225 0.007) 1.257 42.299 ( 1.690 2.205 0.084) 2.780 42.397 ( -1.770 0.581 -0.103) 1.866 42.415 ( 0.740 -0.740 0.126) 1.054 42.433 ( -0.176 -3.708 0.310) 3.725 65.978 ( 7.035 2.422 -0.405) 7.451 66.569 ( -4.436 -12.748 1.996) 13.644 67.272 ( -3.666 9.325 -3.978) 10.780 68.988 ( -1.424 2.734 6.855) 7.516 ======================= Grid point 124 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 19.327 -5.131 -6.992) 21.184 1.659 ( 23.656 3.510 -2.098) 24.007 2.131 ( 16.046 -5.735 -1.658) 17.121 2.177 ( 12.182 -3.672 -2.272) 12.924 3.051 ( 30.449 -3.381 3.204) 30.803 3.196 ( -2.366 -1.273 -4.710) 5.422 3.483 ( -3.377 3.851 12.251) 13.279 3.719 ( -14.865 7.516 -7.226) 18.157 3.846 ( -7.870 -6.626 -7.870) 12.953 4.189 ( -4.554 -8.464 2.947) 10.053 4.339 ( 3.759 -3.069 1.685) 5.136 4.443 ( -3.508 0.520 -3.107) 4.714 4.808 ( -21.919 -1.023 0.538) 21.950 4.904 ( -0.408 1.914 0.224) 1.970 5.138 ( 16.858 2.020 -1.367) 17.033 5.431 ( -3.557 6.173 1.172) 7.220 5.546 ( -2.853 -2.796 1.406) 4.235 5.698 ( 7.221 0.289 0.630) 7.254 5.784 ( -3.714 0.524 0.238) 3.758 6.309 ( 6.371 2.317 6.583) 9.449 6.614 ( -2.813 1.212 -4.670) 5.585 6.654 ( -0.956 -6.025 1.266) 6.230 6.995 ( -2.513 2.971 -2.372) 4.557 7.124 ( 2.480 -0.799 -0.683) 2.693 7.560 ( -9.028 5.916 3.147) 11.243 8.236 ( -6.490 2.484 1.314) 7.073 18.938 ( 0.621 0.018 -0.195) 0.651 18.953 ( 0.892 1.629 0.120) 1.861 18.995 ( 0.610 -1.311 0.835) 1.670 19.015 ( 0.469 -1.840 -1.112) 2.201 19.256 ( -0.089 -0.130 -0.007) 0.158 19.325 ( -0.841 0.110 0.069) 0.851 19.351 ( -0.842 2.269 -0.007) 2.421 19.383 ( -0.370 -1.336 -0.003) 1.387 42.322 ( -1.355 3.126 0.093) 3.408 42.395 ( 1.431 0.039 0.232) 1.450 42.405 ( 0.621 -0.736 -0.024) 0.963 42.409 ( -0.970 -3.945 0.073) 4.064 65.847 ( 8.561 -0.460 -0.511) 8.589 66.609 ( -7.196 -5.148 1.422) 8.961 67.361 ( -2.485 5.171 -1.606) 5.957 69.093 ( -0.592 3.302 7.491) 8.208 ======================= Grid point 128 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -0.000 17.622 17.086) 24.545 0.951 ( -0.000 8.557 21.580) 23.214 1.628 ( -0.000 28.778 29.157) 40.967 2.054 ( -0.000 11.692 2.738) 12.009 2.329 ( -0.000 10.690 17.549) 20.549 2.949 ( 0.000 0.228 -15.258) 15.259 3.446 ( 0.000 2.690 0.308) 2.708 4.103 ( 0.000 -3.379 -7.866) 8.561 4.156 ( 0.000 0.476 -2.328) 2.376 4.194 ( 0.000 3.812 -6.649) 7.664 4.563 ( -0.000 -4.536 7.414) 8.691 4.729 ( -0.000 -0.825 5.582) 5.643 4.980 ( -0.000 -4.561 2.849) 5.377 5.309 ( 0.000 -2.179 -4.018) 4.571 5.336 ( -0.000 -6.196 0.173) 6.198 5.424 ( 0.000 3.732 0.283) 3.743 5.527 ( 0.000 -0.820 -1.635) 1.829 5.561 ( 0.000 -1.614 -1.417) 2.147 5.601 ( 0.000 -3.122 -2.608) 4.068 5.915 ( 0.000 1.643 -4.669) 4.950 6.000 ( 0.000 2.650 -3.827) 4.655 6.576 ( 0.000 8.366 -13.614) 15.979 6.930 ( -0.000 0.417 7.903) 7.914 7.125 ( -0.000 -4.726 5.469) 7.228 7.895 ( -0.000 -1.580 1.031) 1.887 8.342 ( 0.000 -6.015 -4.066) 7.261 18.926 ( -0.000 1.179 0.448) 1.261 18.940 ( -0.000 0.597 0.880) 1.064 18.965 ( 0.000 2.048 -0.406) 2.088 19.085 ( 0.000 -1.286 -0.745) 1.486 19.275 ( -0.000 -0.089 0.694) 0.700 19.343 ( 0.000 -0.396 -0.382) 0.551 19.362 ( -0.000 -0.956 0.161) 0.969 19.390 ( 0.000 -0.795 -0.204) 0.821 42.323 ( -0.000 0.385 0.207) 0.437 42.338 ( 0.000 0.355 -0.012) 0.355 42.436 ( -0.000 -0.367 0.150) 0.397 42.454 ( 0.000 -0.733 -0.178) 0.754 65.719 ( -0.000 4.565 4.485) 6.400 66.619 ( 0.000 3.452 -10.420) 10.977 67.266 ( -0.000 -0.315 5.442) 5.451 67.746 ( 0.000 25.352 -15.076) 29.496 ======================= Grid point 129 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -8.264 8.079 16.473) 20.122 1.397 ( -16.439 13.284 15.996) 26.506 2.209 ( -11.853 16.613 14.318) 24.930 2.268 ( -7.498 22.764 10.137) 26.023 2.606 ( -2.751 13.475 14.406) 19.917 2.860 ( -4.578 -0.056 -13.258) 14.027 3.434 ( -2.505 -3.419 -4.492) 6.176 3.980 ( 7.559 -1.948 -4.015) 8.778 4.132 ( 1.380 6.046 -6.806) 9.208 4.194 ( -1.935 3.226 -3.029) 4.829 4.626 ( 0.413 -4.479 9.783) 10.768 4.739 ( 2.884 -2.117 5.572) 6.622 4.906 ( 9.890 2.993 2.417) 10.612 4.978 ( 2.898 -5.752 4.525) 7.871 5.311 ( 5.554 -5.760 -5.834) 9.902 5.444 ( 8.108 -1.273 -2.956) 8.723 5.463 ( -1.316 -0.902 -0.997) 1.881 5.535 ( 0.649 0.062 -0.205) 0.683 5.685 ( -5.429 0.623 -5.777) 7.952 5.963 ( -3.372 4.736 -5.054) 7.703 6.163 ( -23.023 -5.428 -5.395) 24.261 6.538 ( -2.550 3.720 -12.764) 13.537 6.977 ( 3.065 0.887 7.990) 8.603 7.128 ( -0.464 -5.365 5.214) 7.496 7.780 ( 11.169 -3.994 1.529) 11.960 8.224 ( 2.217 -7.441 -4.567) 9.008 18.940 ( 0.218 1.275 0.518) 1.394 18.953 ( 0.160 0.809 0.837) 1.175 18.987 ( -0.694 1.994 -0.138) 2.116 19.066 ( 0.283 -0.004 -0.648) 0.707 19.276 ( 0.406 0.059 0.569) 0.701 19.332 ( 0.350 -0.581 -0.475) 0.828 19.344 ( 0.933 -1.855 0.102) 2.079 19.385 ( -0.540 -0.744 -0.118) 0.927 42.328 ( -0.619 -0.346 0.281) 0.763 42.369 ( -2.317 1.216 0.010) 2.617 42.392 ( 3.608 -1.556 0.183) 3.934 42.461 ( -0.623 1.257 -0.739) 1.586 65.820 ( -1.428 5.685 4.874) 7.623 66.603 ( -3.522 4.742 -11.094) 12.569 67.272 ( 2.491 -4.495 2.776) 5.841 68.018 ( -21.780 12.840 -13.700) 28.756 ======================= Grid point 130 (52/171) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -9.130 5.394 13.141) 16.886 1.828 ( -6.846 13.639 11.099) 18.871 2.459 ( -4.957 4.916 6.108) 9.276 2.689 ( -1.779 3.436 -7.747) 8.660 2.777 ( -3.402 18.355 12.118) 22.257 3.028 ( -12.075 7.786 4.245) 14.981 3.443 ( -3.670 0.247 -4.389) 5.727 3.779 ( 5.427 -6.996 -0.522) 8.870 4.052 ( 5.620 5.356 -8.527) 11.532 4.258 ( -1.178 3.761 1.925) 4.386 4.607 ( 3.357 -3.059 5.341) 7.011 4.721 ( 1.642 3.129 5.943) 6.914 4.899 ( 3.487 -2.905 5.593) 7.203 5.016 ( -0.775 -0.365 0.977) 1.299 5.102 ( 1.602 -6.797 -4.563) 8.342 5.223 ( 11.714 -0.651 -0.726) 11.754 5.411 ( -0.609 -3.357 -4.305) 5.493 5.609 ( -3.181 3.212 -1.306) 4.706 5.709 ( -1.902 4.806 -2.016) 5.548 6.031 ( -3.718 5.904 -2.745) 7.497 6.384 ( -17.797 -9.568 -8.540) 21.937 6.503 ( -3.209 0.329 -10.088) 10.591 6.984 ( 4.921 0.788 7.007) 8.598 7.141 ( -1.457 -5.791 4.822) 7.675 7.532 ( 12.855 -6.600 0.454) 14.457 8.079 ( 3.825 -5.551 -3.520) 7.605 18.949 ( 0.613 1.562 0.286) 1.702 18.965 ( -0.009 0.456 0.895) 1.004 19.005 ( -0.038 0.435 0.077) 0.443 19.078 ( -1.077 2.678 -0.613) 2.951 19.274 ( 0.364 0.080 0.386) 0.537 19.303 ( 1.444 -2.817 0.052) 3.166 19.317 ( 0.492 -0.514 -0.505) 0.873 19.389 ( -0.677 -0.676 -0.019) 0.957 42.313 ( 3.361 -1.287 0.241) 3.607 42.351 ( -1.767 -0.914 0.504) 2.052 42.417 ( -1.572 1.365 -0.056) 2.083 42.474 ( -0.009 2.524 -1.407) 2.890 65.928 ( -1.150 4.836 3.767) 6.237 66.628 ( -3.797 9.121 -10.035) 14.082 67.181 ( 2.495 -10.257 1.595) 10.676 68.343 ( -18.921 5.370 -7.941) 21.211 ======================= Grid point 131 (53/171) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -6.825 4.409 9.071) 12.178 2.068 ( -1.370 12.356 5.597) 13.634 2.521 ( 0.178 1.161 -7.140) 7.237 2.662 ( 5.794 2.359 9.418) 11.307 2.985 ( 7.346 11.382 9.917) 16.789 3.203 ( -3.270 -3.147 -5.353) 7.018 3.347 ( 3.124 4.367 -8.248) 9.842 3.851 ( -10.957 -6.353 8.119) 15.044 3.977 ( -0.142 5.594 -6.772) 8.785 4.353 ( -4.411 3.848 3.900) 7.034 4.531 ( 6.189 -6.074 2.257) 8.961 4.695 ( 11.623 -2.644 -1.552) 12.020 4.828 ( 4.510 7.664 -3.511) 9.560 4.938 ( 5.719 -3.605 2.947) 7.375 5.026 ( -3.267 5.303 4.457) 7.660 5.259 ( -6.566 -4.455 0.518) 7.951 5.381 ( -2.074 -2.073 -3.159) 4.310 5.624 ( -1.646 0.653 -4.515) 4.850 5.822 ( -2.118 7.548 3.561) 8.611 6.136 ( -5.211 3.183 0.199) 6.109 6.430 ( -10.436 -9.486 -10.412) 17.531 6.500 ( -3.054 0.938 -5.152) 6.063 6.946 ( 6.192 0.289 4.817) 7.851 7.120 ( 2.313 -9.980 4.840) 11.330 7.323 ( 3.736 -4.707 -2.058) 6.352 7.966 ( 3.312 -1.150 -1.152) 3.690 18.953 ( 0.772 1.598 0.138) 1.780 18.975 ( 0.091 0.154 0.723) 0.745 19.004 ( 0.213 -0.039 -0.060) 0.225 19.128 ( -1.698 3.871 -0.362) 4.242 19.248 ( 1.701 -3.592 0.079) 3.975 19.272 ( 0.374 -0.009 0.185) 0.417 19.303 ( 0.241 -0.273 -0.398) 0.540 19.394 ( -0.608 -0.743 0.016) 0.960 42.270 ( 0.966 -0.111 0.239) 1.001 42.384 ( -2.528 -1.221 0.471) 2.847 42.431 ( 1.146 0.911 -0.106) 1.468 42.480 ( 0.483 2.338 -1.283) 2.711 65.994 ( 0.232 3.439 1.633) 3.814 66.724 ( -4.852 13.375 -7.309) 15.996 67.046 ( 1.588 -15.950 1.454) 16.095 68.596 ( -13.094 3.102 -2.506) 13.688 ======================= Grid point 132 (54/171) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 5.137 1.385 1.773) 5.608 2.220 ( 0.716 9.890 4.447) 10.868 2.454 ( 1.820 3.799 -4.965) 6.511 2.647 ( 9.190 2.605 10.804) 14.421 2.977 ( 7.425 4.818 6.171) 10.790 3.053 ( 4.472 3.035 -9.408) 10.849 3.391 ( -9.413 -5.176 -6.832) 12.731 3.927 ( 1.111 -9.503 3.203) 10.090 3.991 ( 1.503 1.376 -2.771) 3.440 4.311 ( 8.715 -3.752 2.686) 9.861 4.486 ( -0.315 2.052 2.334) 3.123 4.549 ( 1.452 -4.218 -2.212) 4.979 4.870 ( -0.904 10.719 2.809) 11.118 4.938 ( -3.790 0.981 4.411) 5.898 5.149 ( 0.633 3.551 -3.155) 4.792 5.191 ( 4.414 -5.802 -2.982) 7.877 5.399 ( -3.977 -0.314 -1.169) 4.157 5.643 ( -3.778 -0.612 -1.347) 4.057 5.908 ( 2.550 5.085 2.610) 6.258 6.248 ( -7.452 -4.037 2.405) 8.810 6.466 ( -6.178 0.900 -6.970) 9.357 6.533 ( -4.908 3.059 -1.294) 5.926 6.914 ( 1.042 2.017 3.004) 3.765 6.993 ( 3.499 -10.996 1.039) 11.586 7.263 ( -0.798 -4.248 -1.577) 4.601 7.944 ( 0.456 3.371 0.951) 3.533 18.954 ( 0.827 1.522 0.069) 1.733 18.974 ( 0.453 -0.141 0.291) 0.556 19.001 ( 0.119 0.144 -0.040) 0.191 19.186 ( 1.363 -2.995 0.101) 3.292 19.190 ( -1.348 2.972 -0.187) 3.269 19.266 ( 0.283 -0.230 -0.037) 0.367 19.299 ( -0.134 0.026 -0.127) 0.187 19.396 ( -0.480 -0.877 0.021) 1.000 42.286 ( -2.051 1.029 0.116) 2.297 42.395 ( 3.684 0.600 -0.070) 3.733 42.414 ( -1.875 -1.273 0.216) 2.277 42.476 ( 0.527 0.621 -0.556) 0.985 66.020 ( 1.170 3.797 0.266) 3.982 66.845 ( 0.902 -5.118 0.629) 5.235 66.915 ( -5.082 -0.218 -3.951) 6.441 68.789 ( -8.354 2.899 0.777) 8.877 ======================= Grid point 133 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 17.147 -4.551 -2.100) 17.864 2.206 ( 14.993 9.480 1.746) 17.824 2.427 ( 4.046 1.056 -1.134) 4.333 2.614 ( 7.803 3.664 5.763) 10.369 3.018 ( -3.775 6.184 -2.144) 7.556 3.052 ( -8.215 4.656 -0.562) 9.459 3.383 ( -1.310 -5.453 -4.357) 7.102 3.770 ( 8.401 -11.013 2.540) 14.083 3.869 ( -0.232 -9.862 -3.557) 10.486 4.318 ( -3.494 -5.838 6.239) 9.231 4.419 ( -2.189 -4.870 -5.156) 7.423 4.527 ( 8.504 7.464 1.648) 11.434 4.831 ( 13.495 -7.943 -2.435) 15.847 4.917 ( 2.555 -5.683 3.080) 6.951 5.164 ( -3.453 10.528 3.782) 11.707 5.252 ( -6.167 9.477 -5.260) 12.471 5.461 ( -4.377 -0.785 0.154) 4.450 5.687 ( -2.189 -0.054 -0.434) 2.232 5.877 ( 5.213 0.775 0.762) 5.325 6.344 ( -3.573 -1.385 4.254) 5.725 6.498 ( -2.768 2.152 -4.639) 5.815 6.691 ( -6.464 6.227 2.144) 9.228 6.849 ( 1.430 -9.351 -2.703) 9.838 7.046 ( -9.498 6.347 2.132) 11.621 7.222 ( 0.034 -4.081 -1.069) 4.219 8.010 ( -2.358 5.137 1.130) 5.764 18.953 ( 0.870 1.321 0.001) 1.582 18.965 ( 0.681 -0.050 0.049) 0.685 19.000 ( 0.087 0.177 -0.031) 0.199 19.122 ( 1.745 -4.089 0.049) 4.445 19.251 ( -1.724 3.568 -0.063) 3.963 19.260 ( 0.120 -0.290 -0.053) 0.318 19.304 ( -0.433 0.234 0.002) 0.493 19.394 ( -0.347 -1.050 0.011) 1.106 42.334 ( 3.720 1.100 0.079) 3.880 42.344 ( -2.918 1.276 -0.090) 3.186 42.424 ( -0.505 -0.949 0.007) 1.075 42.463 ( 0.181 -2.026 0.040) 2.035 66.026 ( 3.087 4.655 -0.035) 5.585 66.687 ( 0.066 -18.835 0.971) 18.860 67.074 ( -5.748 11.631 -2.438) 13.201 68.938 ( -5.173 3.549 1.749) 6.512 ======================= Grid point 134 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 20.445 -6.332 -0.000) 21.403 1.975 ( 20.548 5.533 -0.000) 21.280 2.307 ( 9.405 0.017 -0.000) 9.405 2.476 ( 13.446 -2.615 -0.000) 13.698 3.129 ( -4.518 -0.987 0.000) 4.625 3.332 ( -17.059 5.525 0.000) 17.931 3.377 ( -5.062 6.707 0.000) 8.402 3.510 ( 16.985 -4.579 -0.000) 17.592 3.820 ( -6.128 -14.018 0.000) 15.299 4.268 ( -2.360 -16.719 0.000) 16.884 4.412 ( 3.490 2.355 -0.000) 4.210 4.511 ( 12.126 -6.970 -0.000) 13.986 4.546 ( -9.028 3.015 0.000) 9.518 4.896 ( -0.044 -0.681 0.000) 0.682 5.308 ( -3.287 9.274 0.000) 9.839 5.315 ( 7.910 6.787 -0.000) 10.423 5.519 ( -3.972 -2.393 0.000) 4.637 5.719 ( -2.487 0.745 0.000) 2.596 5.799 ( 4.611 -0.202 -0.000) 4.615 6.393 ( 2.403 3.225 -0.000) 4.022 6.531 ( -2.130 2.534 0.000) 3.310 6.721 ( -0.611 -11.137 0.000) 11.153 6.875 ( -5.496 6.343 0.000) 8.393 7.172 ( 1.558 -2.734 -0.000) 3.146 7.322 ( -12.738 8.530 0.000) 15.330 8.117 ( -4.757 4.455 0.000) 6.518 18.947 ( 0.779 0.421 -0.000) 0.885 18.956 ( 0.850 0.958 -0.000) 1.280 19.001 ( 0.050 0.145 -0.000) 0.154 19.061 ( 1.509 -3.862 -0.000) 4.146 19.257 ( -0.025 -0.236 0.000) 0.237 19.303 ( -1.407 2.053 0.000) 2.489 19.318 ( -0.699 1.166 0.000) 1.360 19.389 ( -0.273 -1.223 0.000) 1.253 42.299 ( 1.672 2.266 -0.000) 2.816 42.396 ( -1.764 0.575 0.000) 1.855 42.416 ( 0.801 -0.243 -0.000) 0.837 42.436 ( -0.431 -4.310 0.000) 4.332 65.975 ( 7.273 2.361 -0.000) 7.647 66.586 ( -4.938 -13.125 0.000) 14.023 67.237 ( -4.316 8.809 0.000) 9.810 69.049 ( -3.234 4.118 0.000) 5.237 ======================= Grid point 137 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 10.290 -0.000 19.070) 21.669 1.466 ( 22.384 -0.000 11.873) 25.338 1.924 ( 15.360 -0.000 11.479) 19.176 2.301 ( 4.180 -0.000 15.724) 16.270 2.471 ( 35.784 -0.000 6.245) 36.325 3.100 ( 5.068 0.000 -15.279) 16.098 3.382 ( -2.769 -0.000 4.395) 5.195 4.060 ( -0.985 0.000 -0.331) 1.039 4.098 ( -5.838 0.000 -7.603) 9.586 4.112 ( -5.942 0.000 -6.545) 8.840 4.380 ( -13.699 -0.000 12.561) 18.587 4.661 ( -4.325 -0.000 7.030) 8.254 4.913 ( 15.812 -0.000 4.024) 16.316 4.977 ( -3.676 -0.000 2.785) 4.612 5.182 ( -22.058 0.000 -1.246) 22.093 5.432 ( -2.053 0.000 -4.725) 5.152 5.497 ( -2.183 0.000 -3.382) 4.025 5.543 ( 6.395 0.000 -0.865) 6.453 5.770 ( -0.927 0.000 -6.098) 6.169 6.000 ( 4.388 0.000 -7.389) 8.594 6.516 ( 2.576 0.000 -6.065) 6.589 6.829 ( 0.160 -0.000 3.652) 3.656 6.897 ( 15.359 0.000 -6.953) 16.859 7.148 ( -0.074 -0.000 2.621) 2.622 7.631 ( -10.861 -0.000 1.667) 10.988 8.279 ( -6.527 0.000 -4.461) 7.906 18.941 ( 1.205 0.000 -0.368) 1.260 18.942 ( 0.334 -0.000 0.728) 0.801 18.953 ( 0.606 -0.000 0.105) 0.615 19.051 ( -1.367 -0.000 0.603) 1.494 19.262 ( -0.287 -0.000 0.468) 0.549 19.333 ( -0.676 0.000 -0.357) 0.765 19.371 ( -0.058 -0.000 0.087) 0.105 19.385 ( -0.728 0.000 -0.078) 0.732 42.367 ( 1.162 0.000 -0.067) 1.164 42.372 ( -1.070 0.000 -0.017) 1.070 42.383 ( 0.273 -0.000 0.098) 0.290 42.396 ( -1.412 0.000 -0.487) 1.493 65.771 ( 5.573 -0.000 3.503) 6.582 66.581 ( -4.135 0.000 -7.404) 8.480 67.472 ( 1.476 -0.000 3.346) 3.657 68.407 ( 27.939 0.000 -25.580) 37.880 ======================= Grid point 139 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -0.000 11.723 20.091) 23.261 1.317 ( -0.000 6.322 20.734) 21.677 2.078 ( 0.000 13.421 -0.126) 13.421 2.133 ( -0.000 16.798 29.327) 33.797 2.654 ( 0.000 1.772 -18.876) 18.959 2.672 ( -0.000 8.298 21.690) 23.223 3.434 ( 0.000 -7.502 -2.385) 7.872 3.957 ( 0.000 7.561 -8.347) 11.262 4.002 ( 0.000 4.559 -12.657) 13.454 4.123 ( 0.000 3.315 -4.793) 5.828 4.676 ( -0.000 -0.548 6.449) 6.473 4.828 ( -0.000 -1.624 6.043) 6.258 5.026 ( -0.000 -5.306 2.281) 5.775 5.213 ( 0.000 -2.759 -6.880) 7.413 5.358 ( -0.000 -7.731 2.103) 8.012 5.425 ( 0.000 0.265 -0.808) 0.851 5.514 ( 0.000 4.635 0.238) 4.641 5.536 ( 0.000 -2.674 -0.956) 2.839 5.548 ( 0.000 -3.082 -3.467) 4.639 5.826 ( 0.000 1.861 -5.554) 5.857 5.960 ( 0.000 1.031 -0.594) 1.190 6.366 ( 0.000 5.210 -11.087) 12.250 7.061 ( -0.000 0.849 7.134) 7.185 7.205 ( -0.000 -2.834 3.604) 4.585 7.929 ( -0.000 -3.598 2.815) 4.568 8.261 ( 0.000 -6.271 -5.277) 8.196 18.934 ( -0.000 1.390 0.478) 1.470 18.959 ( -0.000 0.376 1.290) 1.344 18.959 ( 0.000 1.819 -0.255) 1.837 19.066 ( 0.000 -0.615 -1.397) 1.526 19.288 ( -0.000 -0.327 0.778) 0.844 19.335 ( 0.000 -0.436 -0.525) 0.683 19.366 ( -0.000 -0.918 0.227) 0.945 19.385 ( 0.000 -0.803 -0.271) 0.847 42.327 ( -0.000 0.405 0.245) 0.473 42.337 ( 0.000 0.375 -0.031) 0.377 42.439 ( -0.000 -0.394 0.180) 0.433 42.451 ( -0.000 -0.766 -0.160) 0.782 65.812 ( -0.000 4.365 6.348) 7.704 66.436 ( 0.000 3.157 -10.776) 11.230 67.348 ( -0.000 0.597 4.183) 4.225 67.579 ( 0.000 13.545 -6.057) 14.838 ======================= Grid point 140 (59/171) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -6.443 5.435 16.701) 18.708 1.685 ( -11.224 10.469 16.690) 22.674 2.269 ( -9.164 12.509 -1.083) 15.544 2.537 ( -2.354 5.019 -10.234) 11.639 2.601 ( -10.726 14.442 14.811) 23.302 2.949 ( -1.490 9.324 17.383) 19.782 3.342 ( -6.162 -10.299 -5.717) 13.294 3.895 ( 7.255 4.684 -6.857) 11.027 3.946 ( 3.560 8.995 -11.741) 15.213 4.168 ( -3.077 10.198 -1.476) 10.754 4.767 ( -1.974 -4.449 6.507) 8.126 4.845 ( 2.340 -3.769 7.272) 8.518 4.946 ( 3.399 -2.366 1.615) 4.445 5.050 ( 2.441 -4.148 3.143) 5.748 5.217 ( 7.415 -6.352 -4.384) 10.703 5.379 ( 7.775 -1.692 -4.070) 8.937 5.441 ( 2.620 -3.036 -1.573) 4.307 5.523 ( -2.756 -0.218 -2.873) 3.987 5.623 ( -1.805 5.398 0.189) 5.695 5.879 ( -5.565 4.595 -5.045) 8.805 6.092 ( -15.921 -4.244 -2.168) 16.619 6.341 ( -3.576 2.909 -10.163) 11.160 7.101 ( 3.103 1.095 6.223) 7.040 7.201 ( 0.381 -2.966 3.031) 4.258 7.815 ( 10.500 -7.259 2.527) 13.013 8.141 ( 1.638 -6.655 -4.988) 8.476 18.947 ( 0.535 1.636 0.340) 1.754 18.970 ( 0.076 0.663 0.894) 1.115 18.987 ( -0.783 1.882 0.245) 2.053 19.051 ( -0.067 0.184 -1.151) 1.167 19.287 ( 0.444 -0.282 0.692) 0.869 19.322 ( 0.343 -0.583 -0.599) 0.903 19.346 ( 1.059 -1.868 0.094) 2.149 19.383 ( -0.692 -0.718 -0.106) 1.003 42.332 ( -0.721 -0.282 0.251) 0.814 42.369 ( -2.332 1.165 0.015) 2.607 42.395 ( 3.547 -1.406 0.143) 3.818 42.451 ( 0.127 0.913 -0.396) 1.003 65.916 ( -0.436 4.934 6.372) 8.071 66.413 ( -3.558 5.244 -10.783) 12.507 67.309 ( 4.266 -4.063 1.605) 6.106 67.857 ( -21.053 11.257 -5.861) 24.582 ======================= Grid point 141 (60/171) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -6.947 2.235 12.347) 14.342 1.986 ( -1.788 11.717 6.113) 13.336 2.412 ( -2.682 4.240 -9.207) 10.485 2.676 ( -12.336 6.058 5.565) 14.827 2.980 ( -4.432 11.506 9.107) 15.328 3.088 ( -2.668 -1.436 1.088) 3.219 3.409 ( 0.842 2.007 2.654) 3.432 3.763 ( 0.061 -0.441 -1.216) 1.295 3.855 ( 1.541 8.671 -12.838) 15.568 4.303 ( -0.650 9.967 2.458) 10.286 4.704 ( 6.289 -6.882 5.357) 10.752 4.821 ( 2.545 1.211 5.191) 5.907 4.933 ( 10.283 -4.409 -1.468) 11.284 5.022 ( 1.004 -5.068 -3.548) 6.268 5.058 ( -3.507 -3.820 2.841) 5.913 5.239 ( 5.164 0.818 2.536) 5.811 5.342 ( -0.219 -2.981 -3.491) 4.596 5.530 ( -2.184 1.759 -6.047) 6.666 5.740 ( -3.406 7.107 3.931) 8.807 5.990 ( -5.926 7.415 -2.547) 9.828 6.249 ( -13.391 -10.476 -6.127) 18.072 6.363 ( -5.712 1.748 -6.081) 8.524 7.083 ( 5.663 0.650 4.231) 7.099 7.207 ( -1.243 -2.703 2.681) 4.005 7.541 ( 12.723 -12.002 0.524) 17.498 8.023 ( 3.199 -3.071 -2.708) 5.196 18.952 ( 0.786 1.701 0.136) 1.879 18.981 ( 0.055 0.310 0.964) 1.014 19.004 ( 0.079 0.407 -0.238) 0.478 19.068 ( -1.395 2.886 -0.523) 3.248 19.282 ( 0.468 -0.338 0.482) 0.752 19.303 ( 1.121 -2.203 -0.075) 2.473 19.308 ( 0.748 -0.973 -0.424) 1.298 19.389 ( -0.728 -0.678 -0.010) 0.994 42.317 ( 3.351 -1.141 0.167) 3.544 42.358 ( -1.828 -0.825 0.339) 2.034 42.416 ( -1.570 1.221 -0.041) 1.990 42.455 ( 0.411 2.291 -0.754) 2.446 65.996 ( 0.745 3.144 3.846) 5.023 66.471 ( -5.576 9.862 -7.673) 13.683 67.203 ( 2.066 -10.832 0.921) 11.066 68.247 ( -19.776 8.164 -3.507) 21.681 ======================= Grid point 142 (61/171) ======================= q-point: ( 0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -2.697 2.150 5.776) 6.728 2.126 ( -4.329 7.178 0.775) 8.418 2.398 ( 3.666 9.808 -4.569) 11.424 2.879 ( 6.208 3.551 13.307) 15.107 3.049 ( 5.407 2.964 -4.280) 7.506 3.166 ( -13.322 -5.298 -4.194) 14.938 3.220 ( 16.857 2.844 0.064) 17.095 3.851 ( -4.134 9.057 -4.813) 11.058 3.958 ( -12.039 -4.634 2.721) 13.184 4.420 ( -1.151 9.011 2.965) 9.556 4.592 ( 9.492 -6.147 4.082) 12.023 4.654 ( 10.890 -2.723 -3.013) 11.623 4.755 ( 2.573 -3.380 -3.448) 5.471 4.991 ( 2.274 7.540 2.073) 8.144 5.109 ( -1.817 -0.360 4.218) 4.607 5.244 ( -1.745 -4.866 -1.783) 5.469 5.336 ( -2.531 -0.654 -1.664) 3.099 5.557 ( -4.536 0.871 -2.477) 5.241 5.883 ( -1.552 7.359 2.576) 7.949 6.161 ( -7.629 4.951 2.722) 9.494 6.273 ( -9.830 -9.156 -7.176) 15.231 6.434 ( -4.839 0.959 -2.183) 5.395 7.003 ( 6.960 0.223 1.755) 7.182 7.202 ( 3.973 -10.966 4.512) 12.506 7.274 ( 2.337 -6.455 -3.485) 7.699 7.950 ( 2.663 1.316 -0.512) 3.014 18.954 ( 0.830 1.652 0.046) 1.850 18.986 ( 0.377 -0.125 0.525) 0.659 19.000 ( 0.138 0.235 -0.268) 0.382 19.123 ( -1.808 3.906 -0.145) 4.307 19.249 ( 1.670 -3.572 0.030) 3.943 19.276 ( 0.512 -0.340 0.135) 0.629 19.297 ( 0.080 -0.110 -0.213) 0.253 19.394 ( -0.622 -0.742 0.008) 0.968 42.273 ( 1.045 -0.022 0.096) 1.050 42.390 ( -2.467 -1.215 0.206) 2.758 42.430 ( 1.085 0.788 -0.046) 1.342 42.464 ( 0.374 2.332 -0.478) 2.409 66.018 ( 1.457 2.424 0.850) 2.953 66.631 ( -6.916 12.873 -3.009) 14.920 67.064 ( 1.431 -16.383 0.549) 16.455 68.568 ( -14.126 5.749 -0.791) 15.271 ======================= Grid point 143 (62/171) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 7.655 -1.328 -0.000) 7.770 2.262 ( 1.594 11.854 -0.000) 11.961 2.411 ( 0.215 5.872 -0.000) 5.876 2.791 ( 13.665 2.209 -0.000) 13.843 2.923 ( 3.365 4.499 -0.000) 5.618 3.037 ( 8.192 3.957 -0.000) 9.098 3.320 ( -12.762 -10.236 0.000) 16.360 3.936 ( 2.116 3.670 -0.000) 4.237 3.983 ( 1.770 -11.364 0.000) 11.501 4.339 ( 9.736 2.320 -0.000) 10.009 4.507 ( 0.385 -15.502 0.000) 15.506 4.529 ( 0.088 8.368 -0.000) 8.369 4.892 ( -11.031 14.374 0.000) 18.119 5.020 ( 4.830 4.262 -0.000) 6.442 5.078 ( 4.701 -7.270 -0.000) 8.658 5.167 ( 2.126 -2.190 -0.000) 3.052 5.388 ( -4.454 -0.021 0.000) 4.454 5.631 ( -4.478 -0.131 0.000) 4.480 5.933 ( 3.121 4.419 -0.000) 5.410 6.288 ( -9.986 -9.411 0.000) 13.722 6.385 ( -5.016 7.653 0.000) 9.150 6.522 ( -6.071 4.125 0.000) 7.340 6.940 ( 0.787 1.977 -0.000) 2.128 7.004 ( 4.715 -13.174 -0.000) 13.993 7.247 ( -1.061 -4.020 0.000) 4.157 7.953 ( 0.159 4.494 -0.000) 4.497 18.954 ( 0.848 1.535 -0.000) 1.754 18.977 ( 0.612 -0.231 -0.000) 0.654 19.000 ( 0.101 0.243 -0.000) 0.263 19.187 ( 1.811 -4.001 -0.000) 4.392 19.188 ( -1.844 3.985 0.000) 4.391 19.266 ( 0.301 -0.345 -0.000) 0.458 19.298 ( -0.203 0.080 0.000) 0.219 19.396 ( -0.480 -0.873 0.000) 0.996 42.287 ( -1.997 1.046 0.000) 2.254 42.394 ( 3.667 0.562 -0.000) 3.710 42.415 ( -1.772 -1.294 0.000) 2.194 42.472 ( 0.237 0.661 -0.000) 0.702 66.022 ( 1.438 3.617 -0.000) 3.893 66.849 ( -6.890 13.105 0.000) 14.805 66.881 ( 1.757 -19.477 0.000) 19.556 68.796 ( -8.926 4.244 0.000) 9.884 ======================= Grid point 147 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 10.635 -2.476 14.720) 18.328 1.823 ( 13.786 4.061 6.082) 15.606 2.214 ( 7.468 -11.004 4.503) 14.040 2.496 ( 4.068 0.183 13.866) 14.452 2.964 ( 1.720 6.524 -11.685) 13.493 3.131 ( 24.560 -5.429 5.263) 25.697 3.343 ( -5.154 1.833 2.001) 5.825 3.876 ( -8.225 4.431 -2.422) 9.652 4.011 ( -5.735 -12.231 -6.612) 15.040 4.124 ( 5.394 2.548 3.641) 6.988 4.351 ( -2.555 -5.551 6.295) 8.773 4.620 ( -9.745 0.109 5.985) 11.437 4.767 ( -16.306 0.169 -1.426) 16.369 4.922 ( -2.472 2.850 2.161) 4.348 5.238 ( 6.756 2.584 2.099) 7.532 5.355 ( 3.744 4.251 -1.231) 5.797 5.439 ( -0.637 -2.975 -3.717) 4.804 5.650 ( 6.541 -0.047 -1.012) 6.619 5.712 ( -0.080 -0.446 -5.482) 5.501 6.024 ( 4.793 -1.533 -5.721) 7.619 6.524 ( 2.054 -1.742 -4.115) 4.918 6.845 ( -2.021 0.046 4.457) 4.894 6.995 ( 6.481 6.295 -6.566) 11.169 7.173 ( 0.471 -1.784 1.322) 2.270 7.452 ( -11.106 3.202 3.013) 11.945 8.109 ( -7.584 1.294 -5.843) 9.661 18.946 ( 0.809 1.240 -0.155) 1.489 18.955 ( 0.409 -0.031 0.737) 0.843 18.980 ( 0.967 -1.924 -0.063) 2.155 19.041 ( -0.471 -0.645 0.092) 0.804 19.263 ( -0.121 -0.075 0.461) 0.482 19.318 ( -0.680 0.097 -0.389) 0.789 19.352 ( -0.833 2.257 0.032) 2.406 19.384 ( -0.358 -1.317 0.019) 1.365 42.314 ( -1.414 2.684 -0.241) 3.043 42.372 ( -0.693 -3.430 -0.751) 3.579 42.409 ( 1.271 -0.144 0.199) 1.294 42.413 ( 0.853 -0.236 0.193) 0.906 65.905 ( 6.711 0.015 3.102) 7.394 66.469 ( -3.959 -4.785 -6.375) 8.900 67.509 ( 1.789 7.837 6.399) 10.275 68.570 ( 13.565 -3.442 -17.194) 22.170 ======================= Grid point 148 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 8.319 -0.000 16.519) 18.496 1.673 ( 15.809 -0.000 11.701) 19.668 2.099 ( 6.646 -0.000 7.957) 10.368 2.574 ( 1.557 -0.000 12.748) 12.843 2.672 ( 33.918 -0.000 16.975) 37.929 2.852 ( 5.519 0.000 -10.604) 11.954 3.455 ( -3.620 -0.000 4.397) 5.695 3.926 ( -2.210 0.000 -11.768) 11.974 3.973 ( -6.548 0.000 -7.936) 10.288 4.002 ( 7.794 0.000 -8.125) 11.259 4.598 ( -16.476 -0.000 12.040) 20.406 4.782 ( -3.550 -0.000 7.011) 7.858 4.988 ( 4.339 -0.000 3.423) 5.526 5.030 ( -5.071 -0.000 3.221) 6.008 5.175 ( -9.617 -0.000 1.128) 9.683 5.343 ( -0.394 0.000 -5.618) 5.631 5.433 ( -5.200 0.000 -3.961) 6.537 5.547 ( 5.238 -0.000 1.726) 5.515 5.636 ( 0.826 0.000 -8.844) 8.883 5.909 ( 3.587 0.000 -3.761) 5.197 6.416 ( 4.984 0.000 -5.418) 7.362 6.662 ( 20.949 0.000 -13.339) 24.836 6.972 ( -2.601 -0.000 6.744) 7.228 7.181 ( -1.375 -0.000 1.123) 1.776 7.702 ( -12.029 -0.000 6.010) 13.447 8.188 ( -7.193 0.000 -6.073) 9.414 18.939 ( 0.927 -0.000 0.021) 0.928 18.949 ( 0.397 -0.000 0.001) 0.397 18.963 ( 0.413 -0.000 1.106) 1.181 19.050 ( -0.905 0.000 -0.626) 1.100 19.273 ( -0.550 -0.000 0.818) 0.986 19.325 ( -0.660 0.000 -0.521) 0.841 19.373 ( -0.125 -0.000 0.124) 0.176 19.383 ( -0.606 0.000 -0.117) 0.618 42.366 ( -0.439 0.000 0.003) 0.439 42.372 ( -2.123 0.000 0.055) 2.124 42.384 ( 1.289 -0.000 0.005) 1.289 42.391 ( -0.211 0.000 -0.192) 0.285 65.847 ( 4.472 -0.000 5.411) 7.020 66.431 ( -1.648 0.000 -9.730) 9.869 67.539 ( 4.763 -0.000 4.433) 6.507 68.058 ( 26.502 0.000 -15.535) 30.719 ======================= Grid point 150 (65/171) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -0.000 7.775 21.521) 22.883 1.644 ( -0.000 7.634 17.141) 18.764 2.036 ( 0.000 12.922 -5.171) 13.919 2.312 ( 0.000 3.282 -20.880) 21.136 2.613 ( -0.000 5.797 26.323) 26.954 3.043 ( -0.000 6.069 20.362) 21.248 3.330 ( 0.000 -12.886 -9.912) 16.257 3.749 ( 0.000 5.576 -16.817) 17.717 3.863 ( 0.000 16.473 -1.520) 16.542 4.016 ( 0.000 7.483 -7.116) 10.327 4.796 ( -0.000 -1.179 7.643) 7.734 4.930 ( -0.000 -2.429 5.688) 6.186 5.042 ( -0.000 -5.895 -1.312) 6.040 5.086 ( 0.000 -1.822 -7.287) 7.512 5.399 ( -0.000 -6.516 2.492) 6.976 5.409 ( -0.000 -1.579 -0.297) 1.607 5.488 ( 0.000 -2.959 -3.439) 4.537 5.491 ( 0.000 -2.140 -2.165) 3.044 5.569 ( -0.000 4.343 3.702) 5.707 5.731 ( 0.000 2.698 -5.478) 6.107 5.982 ( -0.000 0.388 3.106) 3.130 6.195 ( 0.000 2.756 -8.903) 9.320 7.167 ( -0.000 0.882 5.055) 5.132 7.243 ( -0.000 -0.942 0.790) 1.229 7.990 ( -0.000 -5.180 4.231) 6.688 8.166 ( 0.000 -6.385 -5.683) 8.548 18.942 ( -0.000 1.481 0.454) 1.549 18.955 ( 0.000 1.663 -0.292) 1.688 18.984 ( -0.000 0.248 1.549) 1.569 19.040 ( 0.000 -0.182 -1.629) 1.639 19.301 ( -0.000 -0.446 0.756) 0.878 19.325 ( 0.000 -0.472 -0.629) 0.786 19.370 ( -0.000 -0.878 0.278) 0.921 19.380 ( 0.000 -0.818 -0.305) 0.873 42.331 ( -0.000 0.416 0.224) 0.472 42.336 ( 0.000 0.397 -0.081) 0.405 42.442 ( -0.000 -0.454 0.190) 0.492 42.448 ( 0.000 -0.672 -0.176) 0.695 65.935 ( -0.000 3.950 8.032) 8.951 66.255 ( 0.000 3.225 -10.378) 10.868 67.410 ( -0.000 1.741 3.105) 3.560 67.505 ( 0.000 7.073 -3.204) 7.765 ======================= Grid point 151 (66/171) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -2.860 3.145 15.007) 15.597 1.921 ( -1.606 9.856 8.155) 12.893 2.184 ( -9.387 7.513 -7.972) 14.426 2.311 ( -16.368 10.964 -9.137) 21.717 2.906 ( -7.022 2.626 15.801) 17.490 3.107 ( -1.730 -6.016 -5.419) 8.279 3.366 ( -4.624 5.541 13.859) 15.626 3.661 ( -0.088 8.326 -16.818) 18.767 3.851 ( 12.192 9.610 -2.267) 15.689 4.144 ( -4.647 16.254 -0.974) 16.933 4.864 ( -0.964 -5.745 5.119) 7.754 4.934 ( 2.383 -6.055 -1.844) 6.763 4.976 ( -4.341 -3.552 5.697) 7.994 5.054 ( -3.053 -3.139 -2.637) 5.112 5.185 ( 13.751 -6.503 0.103) 15.212 5.321 ( 6.703 -0.634 -2.124) 7.060 5.419 ( 3.430 -3.379 -0.723) 4.869 5.464 ( 0.320 -0.984 -2.480) 2.687 5.665 ( -2.563 5.364 3.094) 6.702 5.794 ( -6.270 5.475 -4.217) 9.331 6.098 ( -9.059 -2.456 2.630) 9.747 6.195 ( -5.974 1.464 -6.676) 9.077 7.183 ( 3.278 0.579 3.101) 4.549 7.227 ( 0.792 -0.525 0.181) 0.967 7.858 ( 10.687 -10.831 1.909) 15.335 8.068 ( 0.645 -4.920 -2.847) 5.721 18.951 ( 0.738 1.688 0.133) 1.847 18.977 ( -0.529 1.779 0.083) 1.858 19.000 ( -0.024 0.370 1.035) 1.100 19.030 ( -0.495 0.718 -1.141) 1.436 19.299 ( 0.450 -0.514 0.676) 0.961 19.312 ( 0.329 -0.544 -0.641) 0.903 19.347 ( 1.155 -1.875 0.039) 2.202 19.382 ( -0.807 -0.697 -0.043) 1.067 42.336 ( -0.800 -0.242 0.103) 0.842 42.369 ( -2.347 1.131 0.007) 2.605 42.397 ( 3.514 -1.307 0.054) 3.750 42.447 ( 0.509 0.739 -0.127) 0.906 66.029 ( 1.427 3.317 6.000) 7.003 66.248 ( -4.570 6.663 -7.567) 11.070 67.327 ( 4.960 -4.034 0.515) 6.414 67.797 ( -20.596 9.854 -1.567) 22.886 ======================= Grid point 152 (67/171) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -1.019 3.567 -0.000) 3.710 1.992 ( -5.210 3.065 0.000) 6.045 2.313 ( -0.440 12.138 -0.000) 12.146 2.740 ( -21.378 8.207 0.000) 22.899 3.060 ( -0.723 -2.408 0.000) 2.514 3.076 ( -2.626 -2.888 0.000) 3.903 3.504 ( 13.710 6.463 -0.000) 15.157 3.667 ( -3.439 10.476 -0.000) 11.026 3.766 ( -5.789 2.672 0.000) 6.376 4.326 ( -1.219 13.437 -0.000) 13.492 4.758 ( 6.902 -7.410 -0.000) 10.126 4.878 ( 6.101 -0.651 -0.000) 6.136 4.908 ( 9.219 -8.167 -0.000) 12.316 4.977 ( 1.078 -2.822 -0.000) 3.021 5.091 ( -4.533 -3.344 0.000) 5.633 5.275 ( 2.562 1.850 -0.000) 3.160 5.310 ( 1.305 -3.612 -0.000) 3.840 5.462 ( -2.641 1.945 0.000) 3.280 5.789 ( -3.860 6.061 0.000) 7.186 5.955 ( -8.296 8.526 0.000) 11.896 6.198 ( -8.565 -9.285 0.000) 12.632 6.307 ( -8.059 1.193 0.000) 8.146 7.120 ( 6.049 0.329 -0.000) 6.058 7.230 ( -1.240 -0.579 0.000) 1.369 7.546 ( 12.638 -15.165 -0.000) 19.741 7.998 ( 2.930 -1.723 -0.000) 3.399 18.953 ( 0.832 1.719 -0.000) 1.910 18.994 ( -0.101 0.782 -0.000) 0.789 18.998 ( 0.400 -0.235 -0.000) 0.464 19.063 ( -1.593 3.118 0.000) 3.501 19.288 ( 0.603 -0.741 -0.000) 0.956 19.300 ( 0.235 -0.259 -0.000) 0.349 19.305 ( 1.512 -2.619 -0.000) 3.024 19.389 ( -0.748 -0.678 0.000) 1.010 42.318 ( 3.354 -1.086 -0.000) 3.525 42.362 ( -1.879 -0.799 0.000) 2.042 42.415 ( -1.560 1.163 0.000) 1.946 42.449 ( 0.582 2.207 -0.000) 2.283 66.036 ( 2.203 1.746 -0.000) 2.811 66.397 ( -6.914 10.905 0.000) 12.912 67.211 ( 1.850 -11.057 0.000) 11.210 68.217 ( -19.899 8.939 0.000) 21.814 ======================= Grid point 158 (68/171) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 10.640 -0.174 8.229) 13.452 1.990 ( 7.315 2.561 1.935) 7.988 2.411 ( 1.839 -8.505 2.934) 9.183 2.650 ( 0.462 -0.978 11.178) 11.230 2.786 ( -1.269 6.649 -8.969) 11.236 3.206 ( -4.723 6.157 -4.540) 8.991 3.460 ( 8.284 -0.988 -3.478) 9.039 3.853 ( 2.912 -3.569 8.998) 10.109 4.001 ( -4.106 -13.714 -2.832) 14.592 4.179 ( -1.721 4.327 6.609) 8.085 4.404 ( -9.020 -3.605 1.451) 9.821 4.517 ( 6.183 -7.787 -2.735) 10.313 4.688 ( 0.366 1.111 3.703) 3.883 4.917 ( 0.326 0.534 2.908) 2.974 5.136 ( -0.930 9.152 -2.215) 9.462 5.412 ( 0.064 -2.703 -3.094) 4.109 5.476 ( 2.267 4.256 -0.216) 4.827 5.674 ( 0.392 -0.973 -4.637) 4.754 5.765 ( 6.379 0.447 2.594) 6.900 6.099 ( 5.624 -4.715 -2.170) 7.653 6.519 ( -1.294 -1.939 -2.907) 3.726 6.811 ( -3.563 1.274 -2.923) 4.782 6.923 ( -0.466 8.799 -1.956) 9.026 7.199 ( -1.986 0.268 2.882) 3.510 7.302 ( -6.590 1.565 4.137) 7.937 7.932 ( -6.027 0.305 -6.266) 8.699 18.947 ( 0.723 1.120 -0.133) 1.339 18.967 ( 0.233 -0.006 0.645) 0.686 19.000 ( 0.080 -0.353 -0.132) 0.385 19.060 ( 1.066 -3.033 -0.214) 3.222 19.267 ( 0.047 -0.017 0.438) 0.441 19.303 ( -0.718 0.634 -0.188) 0.977 19.314 ( -0.941 2.517 -0.063) 2.688 19.389 ( -0.327 -1.232 0.014) 1.275 42.295 ( 1.806 1.853 -0.060) 2.588 42.400 ( 0.069 -1.887 -0.237) 1.903 42.403 ( -0.740 -0.629 -0.144) 0.982 42.429 ( 0.277 -0.693 0.071) 0.750 66.012 ( 4.781 3.393 1.523) 6.057 66.458 ( -0.054 -11.678 -3.836) 12.292 67.490 ( 0.454 15.042 7.540) 16.832 68.646 ( 5.326 -6.793 -10.655) 13.713 ======================= Grid point 159 (69/171) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 6.794 -1.711 11.679) 13.619 1.918 ( 8.264 3.232 4.598) 9.994 2.305 ( 4.670 -9.622 5.688) 12.114 2.681 ( 4.066 -0.685 -0.974) 4.236 2.819 ( -2.747 2.674 4.244) 5.719 3.245 ( 17.231 0.282 5.143) 17.985 3.366 ( -7.352 6.452 1.017) 9.834 3.812 ( 0.399 -3.738 -3.012) 4.817 3.893 ( -1.449 -11.239 -6.064) 12.852 4.136 ( 14.631 3.323 -2.889) 15.279 4.473 ( -10.272 -2.690 7.191) 12.824 4.698 ( -20.647 -0.173 0.545) 20.655 4.771 ( -4.560 1.149 4.332) 6.393 4.969 ( -3.955 0.125 2.742) 4.814 5.230 ( -3.114 7.681 -1.983) 8.522 5.342 ( 1.710 -3.590 -2.233) 4.561 5.397 ( 8.867 1.137 -0.583) 8.959 5.588 ( 2.115 -0.799 -7.544) 7.876 5.679 ( 7.076 -0.966 4.425) 8.402 5.962 ( 4.872 -2.520 -2.306) 5.950 6.465 ( 4.138 -0.247 -2.461) 4.821 6.757 ( 6.574 2.791 -11.933) 13.907 6.990 ( -0.444 3.585 4.502) 5.772 7.182 ( -0.072 -3.237 -0.200) 3.244 7.551 ( -10.995 4.408 7.340) 13.935 7.997 ( -8.358 0.110 -7.096) 10.965 18.944 ( 0.687 1.095 -0.054) 1.294 18.966 ( 0.481 -0.806 0.357) 1.004 18.984 ( 0.636 -1.014 0.607) 1.342 19.036 ( -0.301 -0.634 -0.592) 0.918 19.273 ( -0.273 0.015 0.703) 0.754 19.310 ( -0.583 0.082 -0.555) 0.809 19.353 ( -0.823 2.244 0.030) 2.390 19.384 ( -0.337 -1.310 0.019) 1.353 42.311 ( -1.487 2.352 -0.141) 2.786 42.361 ( -0.906 -3.284 -0.451) 3.436 42.412 ( 1.483 0.110 0.174) 1.497 42.416 ( 0.875 -0.098 0.132) 0.891 65.971 ( 5.010 0.872 4.559) 6.830 66.350 ( -0.967 -5.088 -7.332) 8.977 67.625 ( 5.298 11.754 6.978) 14.660 68.308 ( 14.753 -8.790 -13.109) 21.605 ======================= Grid point 160 (70/171) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 4.524 -0.000 13.893) 14.611 1.842 ( 8.739 -0.000 7.230) 11.342 2.197 ( 10.032 -0.000 4.217) 10.883 2.495 ( 9.220 0.000 -13.859) 16.646 2.969 ( -2.316 -0.000 15.938) 16.105 2.999 ( 22.205 -0.000 18.986) 29.216 3.533 ( -5.105 -0.000 4.134) 6.569 3.723 ( 2.635 0.000 -10.269) 10.601 3.809 ( 16.242 0.000 -13.744) 21.276 3.831 ( -6.423 0.000 -8.576) 10.714 4.777 ( -16.496 -0.000 8.734) 18.666 4.893 ( -3.309 -0.000 5.173) 6.141 5.005 ( -13.537 0.000 -0.356) 13.542 5.079 ( -4.992 -0.000 1.877) 5.333 5.219 ( 8.604 -0.000 2.463) 8.949 5.247 ( 1.133 0.000 -4.830) 4.961 5.375 ( -7.365 0.000 -1.952) 7.619 5.493 ( 0.194 0.000 -7.296) 7.299 5.616 ( 5.074 -0.000 6.378) 8.150 5.846 ( 4.794 0.000 -4.368) 6.486 6.342 ( 7.732 0.000 -2.754) 8.208 6.453 ( 17.709 0.000 -10.195) 20.434 7.076 ( -2.986 -0.000 5.239) 6.031 7.183 ( -2.285 0.000 -0.953) 2.476 7.819 ( -10.787 -0.000 7.383) 13.072 8.075 ( -8.118 0.000 -7.116) 10.796 18.941 ( 0.696 -0.000 0.176) 0.718 18.947 ( 0.465 0.000 -0.151) 0.489 18.985 ( 0.195 -0.000 1.401) 1.415 19.033 ( -0.404 0.000 -1.247) 1.310 19.288 ( -0.671 -0.000 0.883) 1.109 19.315 ( -0.664 0.000 -0.670) 0.944 19.375 ( -0.216 -0.000 0.147) 0.261 19.381 ( -0.467 0.000 -0.144) 0.488 42.367 ( -1.769 -0.000 0.155) 1.776 42.373 ( -3.176 0.000 -0.049) 3.176 42.384 ( 2.288 -0.000 0.051) 2.288 42.388 ( 0.892 0.000 -0.143) 0.904 65.956 ( 3.280 -0.000 7.318) 8.019 66.260 ( 0.499 0.000 -10.038) 10.050 67.622 ( 8.940 -0.000 5.274) 10.380 67.853 ( 20.120 0.000 -9.261) 22.149 ======================= Grid point 162 (71/171) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.000 9.801 -9.371) 13.560 1.889 ( -0.000 9.801 9.371) 13.560 1.949 ( 0.000 5.852 -19.879) 20.722 1.949 ( -0.000 5.852 19.879) 20.722 3.017 ( 0.000 -5.314 -20.007) 20.701 3.017 ( -0.000 -5.314 20.007) 20.701 3.436 ( 0.000 6.089 -19.283) 20.221 3.436 ( -0.000 6.089 19.283) 20.221 3.903 ( 0.000 12.755 -4.943) 13.679 3.903 ( -0.000 12.755 4.943) 13.679 4.934 ( 0.000 -2.893 -8.277) 8.768 4.934 ( -0.000 -2.893 8.277) 8.768 5.014 ( 0.000 -2.945 -3.861) 4.856 5.014 ( -0.000 -2.945 3.861) 4.856 5.423 ( 0.000 -3.155 -0.551) 3.203 5.423 ( 0.000 -3.155 0.551) 3.203 5.456 ( 0.000 -3.863 -0.742) 3.934 5.456 ( 0.000 -3.863 0.742) 3.934 5.643 ( 0.000 3.938 -4.628) 6.077 5.643 ( -0.000 3.938 4.629) 6.077 6.064 ( 0.000 1.084 -6.353) 6.445 6.064 ( -0.000 1.084 6.353) 6.445 7.230 ( 0.000 0.340 -2.262) 2.288 7.230 ( -0.000 0.340 2.262) 2.288 8.072 ( 0.000 -6.103 -5.119) 7.966 8.072 ( -0.000 -6.103 5.119) 7.966 18.949 ( 0.000 1.558 -0.330) 1.592 18.949 ( 0.000 1.558 0.330) 1.592 19.011 ( 0.000 0.085 -1.661) 1.663 19.011 ( -0.000 0.085 1.661) 1.663 19.314 ( 0.000 -0.485 -0.701) 0.853 19.314 ( -0.000 -0.485 0.701) 0.853 19.375 ( 0.000 -0.843 -0.239) 0.877 19.375 ( 0.000 -0.843 0.239) 0.877 42.334 ( 0.000 0.413 -0.083) 0.421 42.334 ( 0.000 0.413 0.083) 0.421 42.445 ( 0.000 -0.552 -0.097) 0.560 42.445 ( 0.000 -0.552 0.097) 0.560 66.085 ( 0.000 3.523 -9.356) 9.998 66.085 ( -0.000 3.523 9.356) 9.998 67.457 ( 0.000 3.639 -1.564) 3.961 67.457 ( 0.000 3.639 1.564) 3.961 ======================= Grid point 169 (72/171) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 6.670 5.800 0.384) 8.848 2.027 ( -2.597 3.877 -1.068) 4.787 2.500 ( 0.199 -1.323 5.409) 5.572 2.704 ( 6.325 4.477 0.249) 7.753 2.739 ( -1.119 -0.096 5.410) 5.526 3.022 ( -2.832 2.264 -10.080) 10.712 3.516 ( 1.859 -3.287 -7.473) 8.373 3.977 ( 0.076 -13.878 0.897) 13.907 4.067 ( -4.727 2.990 9.480) 11.006 4.191 ( 5.927 4.781 5.743) 9.538 4.366 ( -0.102 -2.253 -0.250) 2.269 4.659 ( 4.959 -4.244 0.578) 6.553 4.732 ( 2.172 3.839 0.653) 4.459 4.876 ( -1.829 -1.422 -3.597) 4.278 5.177 ( 6.751 2.337 3.813) 8.098 5.321 ( -7.454 6.528 -3.622) 10.550 5.439 ( 0.466 -0.689 -1.403) 1.632 5.651 ( -1.433 -3.176 -2.865) 4.511 5.852 ( 2.844 3.519 2.373) 5.109 6.241 ( 4.546 -5.830 1.818) 7.614 6.487 ( -1.803 -4.517 -1.872) 5.211 6.674 ( -3.319 1.400 -7.748) 8.545 6.845 ( -2.835 4.401 3.222) 6.147 7.137 ( -4.331 5.745 5.459) 9.031 7.284 ( -1.306 -2.521 -0.036) 2.839 7.828 ( -2.119 -3.655 -4.374) 6.081 18.947 ( 0.609 1.057 -0.129) 1.226 18.972 ( -0.068 0.280 0.379) 0.477 18.996 ( -0.193 -0.046 -0.283) 0.346 19.114 ( 1.771 -3.979 -0.179) 4.359 19.259 ( -1.481 3.465 0.168) 3.772 19.271 ( 0.133 0.376 0.308) 0.503 19.300 ( 0.035 -0.019 -0.186) 0.190 19.394 ( -0.396 -1.085 0.007) 1.155 42.333 ( 2.671 1.190 0.156) 2.928 42.346 ( -1.993 1.274 -0.114) 2.368 42.425 ( -1.296 -0.934 0.028) 1.597 42.461 ( 2.749 -2.020 0.040) 3.411 66.032 ( 1.963 4.842 0.127) 5.226 66.594 ( 4.087 -14.867 -1.430) 15.485 67.386 ( -1.482 20.088 6.229) 21.084 68.694 ( 0.097 -9.892 -5.015) 11.091 ======================= Grid point 170 (73/171) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 4.861 1.656 3.715) 6.338 2.036 ( 5.286 1.441 2.751) 6.131 2.469 ( 2.663 -6.788 3.208) 7.966 2.669 ( 0.210 0.869 -4.603) 4.689 2.842 ( -3.700 -0.924 10.737) 11.394 3.128 ( -7.507 13.847 -3.849) 16.214 3.349 ( 2.816 -5.711 -8.656) 10.746 3.892 ( -6.390 -20.045 -1.414) 21.087 4.066 ( 14.366 4.287 7.298) 16.674 4.278 ( 3.925 7.095 3.799) 8.954 4.439 ( -9.925 0.348 2.098) 10.150 4.473 ( 4.044 -7.252 -2.007) 8.543 4.741 ( -2.554 -0.937 2.952) 4.014 4.926 ( -4.286 0.466 -1.676) 4.626 5.147 ( 3.291 5.279 2.887) 6.859 5.359 ( 0.754 -2.557 -2.769) 3.844 5.438 ( 0.213 4.657 -3.420) 5.782 5.594 ( 2.002 -2.929 -3.931) 5.295 5.835 ( 5.582 1.794 4.580) 7.440 6.089 ( 6.897 -6.796 0.463) 9.694 6.486 ( -0.209 0.291 -0.677) 0.766 6.673 ( -1.044 3.411 -9.289) 9.951 6.955 ( -1.946 5.986 2.596) 6.808 7.222 ( -0.247 -4.352 0.346) 4.373 7.396 ( -7.871 8.084 5.681) 12.632 7.825 ( -6.421 -3.142 -5.696) 9.140 18.945 ( 0.631 1.004 -0.062) 1.187 18.978 ( 0.062 -0.117 0.620) 0.634 18.996 ( -0.084 -0.057 -0.251) 0.271 19.056 ( 1.192 -3.118 -0.239) 3.346 19.275 ( -0.067 0.184 0.501) 0.538 19.297 ( -0.291 0.056 -0.376) 0.479 19.313 ( -1.134 2.981 0.009) 3.189 19.390 ( -0.340 -1.236 0.016) 1.282 42.295 ( 1.858 1.706 -0.012) 2.523 42.394 ( 1.610 -3.328 -0.270) 3.707 42.404 ( -1.947 0.815 0.053) 2.111 42.431 ( 0.189 -0.414 0.071) 0.461 66.038 ( 2.763 4.554 1.405) 5.509 66.399 ( 3.145 -12.054 -2.800) 12.768 67.607 ( 2.873 20.613 5.572) 21.545 68.488 ( 6.266 -13.613 -7.127) 16.594 ======================= Grid point 171 (74/171) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 2.626 0.237 6.609) 7.115 1.961 ( 4.672 -1.070 0.141) 4.795 2.391 ( 6.438 -0.506 3.663) 7.424 2.562 ( 5.624 -6.085 -5.937) 10.193 3.018 ( -5.426 0.086 12.288) 13.433 3.222 ( -0.057 -2.285 -7.160) 7.516 3.396 ( -8.526 16.642 1.514) 18.760 3.786 ( -4.683 -21.542 -1.556) 22.100 3.867 ( 19.055 3.617 4.279) 19.862 4.039 ( 20.894 -0.154 -7.055) 22.054 4.581 ( -13.955 -0.492 5.242) 14.915 4.662 ( -16.452 -0.365 -3.389) 16.802 4.881 ( -7.438 1.917 6.470) 10.043 4.984 ( -5.821 -1.007 -1.756) 6.163 5.204 ( -1.034 6.347 -0.571) 6.456 5.296 ( 0.193 -3.832 -2.121) 4.384 5.396 ( 6.140 2.845 0.338) 6.775 5.479 ( 4.021 -2.583 -4.187) 6.354 5.787 ( 7.134 1.112 6.341) 9.609 5.920 ( 6.736 -4.309 -2.846) 8.488 6.456 ( 6.036 1.670 1.845) 6.529 6.564 ( 7.819 1.846 -8.994) 12.059 7.057 ( -2.308 4.313 2.564) 5.523 7.171 ( -0.027 -5.020 -0.819) 5.086 7.676 ( -10.438 7.804 6.237) 14.449 7.877 ( -8.981 -3.181 -6.003) 11.261 18.944 ( 0.598 1.043 -0.008) 1.202 18.968 ( 0.691 -1.510 0.034) 1.661 18.998 ( 0.023 0.150 0.832) 0.845 19.023 ( 0.119 -1.058 -0.766) 1.312 19.285 ( -0.423 0.148 0.725) 0.852 19.299 ( -0.486 0.004 -0.654) 0.815 19.353 ( -0.815 2.235 0.012) 2.379 19.384 ( -0.319 -1.307 0.008) 1.345 42.310 ( -1.543 2.163 -0.036) 2.658 42.356 ( -1.004 -3.104 -0.148) 3.266 42.415 ( 1.637 0.224 0.074) 1.654 42.417 ( 0.810 -0.089 0.039) 0.816 66.053 ( 2.533 3.666 4.303) 6.194 66.234 ( 2.406 -7.531 -5.384) 9.565 67.729 ( 8.794 19.198 4.190) 21.528 68.137 ( 12.788 -16.884 -6.056) 22.029 ======================= Grid point 172 (75/171) ======================= q-point: (-0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 2.247 0.000 -4.002) 4.590 1.879 ( 2.247 -0.000 4.002) 4.590 2.290 ( 13.977 0.000 -7.471) 15.848 2.290 ( 13.977 0.000 7.471) 15.848 3.178 ( -1.003 0.000 -3.447) 3.590 3.178 ( -1.003 -0.000 3.447) 3.590 3.585 ( 16.203 0.000 -8.155) 18.140 3.585 ( 16.203 -0.000 8.155) 18.140 3.699 ( -2.828 0.000 -3.982) 4.884 3.699 ( -2.828 0.000 3.982) 4.884 4.893 ( -14.526 0.000 -4.540) 15.219 4.893 ( -14.526 -0.000 4.540) 15.219 5.052 ( -5.950 0.000 -4.727) 7.599 5.052 ( -5.950 -0.000 4.727) 7.599 5.220 ( 4.598 -0.000 -0.811) 4.669 5.220 ( 4.598 0.000 0.811) 4.669 5.395 ( -2.554 0.000 -3.907) 4.668 5.395 ( -2.554 -0.000 3.907) 4.668 5.743 ( 6.076 0.000 -7.178) 9.404 5.743 ( 6.076 -0.000 7.178) 9.404 6.339 ( 11.973 0.000 -2.772) 12.290 6.339 ( 11.973 -0.000 2.772) 12.290 7.148 ( -2.824 -0.000 -2.669) 3.886 7.148 ( -2.824 0.000 2.669) 3.886 7.948 ( -9.328 0.000 -6.618) 11.437 7.948 ( -9.328 0.000 6.618) 11.437 18.944 ( 0.546 -0.000 -0.050) 0.548 18.944 ( 0.546 0.000 0.050) 0.548 19.010 ( -0.051 0.000 -1.411) 1.412 19.010 ( -0.051 -0.000 1.411) 1.412 19.302 ( -0.681 0.000 -0.792) 1.045 19.302 ( -0.681 -0.000 0.792) 1.045 19.378 ( -0.332 -0.000 -0.027) 0.333 19.378 ( -0.332 0.000 0.027) 0.333 42.370 ( -2.793 -0.000 -0.029) 2.793 42.370 ( -2.793 0.000 0.029) 2.793 42.386 ( 1.867 -0.000 -0.045) 1.867 42.386 ( 1.867 0.000 0.045) 1.867 66.096 ( 2.028 -0.000 -8.332) 8.575 66.096 ( 2.028 0.000 8.332) 8.575 67.722 ( 14.010 -0.000 -3.190) 14.369 67.722 ( 14.010 0.000 3.190) 14.369 ======================= Grid point 180 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -9.660 14.515 -2.673) 17.639 1.913 ( -2.150 5.593 -4.148) 7.288 2.500 ( -2.580 9.396 4.613) 10.781 2.692 ( 2.320 10.875 -0.896) 11.156 2.883 ( 5.212 -6.947 4.364) 9.719 3.041 ( 10.911 -11.913 -6.302) 17.340 3.469 ( -0.307 0.316 -5.042) 5.061 3.904 ( -13.319 12.330 4.840) 18.784 4.053 ( -7.342 -9.535 -3.074) 12.420 4.347 ( 5.174 1.397 5.994) 8.040 4.464 ( 17.420 3.099 1.570) 17.763 4.655 ( -2.310 6.740 -1.450) 7.271 4.751 ( 1.054 -0.487 2.703) 2.942 4.932 ( 0.673 -6.342 -2.905) 7.008 5.051 ( -4.982 7.893 -1.515) 9.456 5.221 ( -6.314 1.463 -1.738) 6.710 5.467 ( 0.782 -3.889 0.890) 4.065 5.669 ( 2.942 -3.071 -1.184) 4.414 5.834 ( -1.637 5.332 0.797) 5.635 6.325 ( -0.943 -1.172 5.257) 5.468 6.556 ( 2.607 -6.740 -2.494) 7.645 6.595 ( 2.037 -3.041 -5.709) 6.782 6.823 ( -3.845 -5.286 3.903) 7.613 7.090 ( -0.809 4.490 5.183) 6.905 7.260 ( -0.845 -0.116 -3.223) 3.334 7.861 ( 2.453 -8.205 -1.275) 8.659 18.946 ( 0.365 0.979 -0.145) 1.055 18.967 ( -0.219 0.755 0.058) 0.789 18.993 ( -0.137 -0.316 -0.235) 0.417 19.179 ( 1.937 -4.034 -0.091) 4.476 19.203 ( -1.524 3.972 0.168) 4.257 19.271 ( 0.179 0.541 0.093) 0.578 19.305 ( 0.414 -0.300 0.049) 0.514 19.395 ( -0.496 -0.906 0.005) 1.033 42.278 ( -2.546 0.839 -0.091) 2.682 42.394 ( 0.319 -0.311 -0.125) 0.462 42.405 ( 0.998 0.048 0.030) 1.000 42.522 ( 2.972 0.284 0.669) 3.060 66.008 ( 0.189 4.917 -0.068) 4.921 66.790 ( 4.517 -14.801 -0.762) 15.494 67.219 ( -1.527 21.352 4.107) 21.797 68.740 ( -3.066 -11.924 -0.511) 12.323 ======================= Grid point 181 (77/171) ======================= q-point: ( 0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 2.576 3.059 -0.471) 4.026 2.024 ( -4.165 10.185 0.099) 11.004 2.608 ( 3.661 -2.908 6.238) 7.796 2.699 ( 6.226 -0.517 -0.043) 6.248 2.842 ( -3.379 1.175 1.472) 3.868 2.859 ( -4.809 6.955 -5.104) 9.877 3.391 ( 0.592 -8.714 -5.174) 10.152 3.972 ( -2.916 -18.962 -0.427) 19.190 4.202 ( -4.799 10.299 4.634) 12.271 4.261 ( 11.177 11.629 1.613) 16.210 4.398 ( 1.506 2.414 2.917) 4.074 4.640 ( 7.228 -8.171 -1.724) 11.045 4.764 ( -1.599 2.213 2.438) 3.661 4.818 ( -1.004 -4.054 -2.987) 5.134 5.223 ( -3.232 6.835 1.136) 7.646 5.268 ( 0.084 4.647 -1.723) 4.957 5.417 ( 1.565 -3.070 -0.846) 3.548 5.610 ( -0.698 -4.166 -1.461) 4.469 5.891 ( 1.276 3.953 1.480) 4.410 6.281 ( 6.164 -7.317 2.076) 9.790 6.472 ( -0.918 -3.181 0.289) 3.323 6.550 ( -2.799 1.122 -5.583) 6.345 6.888 ( -2.691 3.095 1.422) 4.341 7.219 ( -3.598 3.550 3.859) 6.360 7.270 ( -2.444 3.392 -1.657) 4.497 7.770 ( -1.906 -7.720 -1.966) 8.191 18.946 ( 0.528 0.967 -0.045) 1.102 18.979 ( -0.320 0.605 0.304) 0.749 18.991 ( -0.167 -0.288 -0.269) 0.428 19.112 ( 1.808 -3.991 -0.072) 4.382 19.261 ( -1.420 3.435 0.064) 3.717 19.275 ( 0.029 0.698 0.162) 0.718 19.297 ( 0.224 -0.232 -0.118) 0.344 19.394 ( -0.406 -1.092 0.006) 1.165 42.336 ( 3.766 1.148 0.139) 3.939 42.344 ( -3.123 1.340 -0.121) 3.400 42.425 ( -1.522 -0.921 0.014) 1.779 42.462 ( 3.377 -2.038 0.027) 3.944 66.034 ( 1.576 4.922 0.052) 5.168 66.577 ( 5.123 -14.394 -0.518) 15.287 67.464 ( -0.134 24.156 2.513) 24.287 68.631 ( 0.839 -14.672 -2.035) 14.836 ======================= Grid point 182 (78/171) ======================= q-point: (-0.60 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 1.751 2.000 -0.000) 2.658 2.062 ( 4.933 0.983 -0.000) 5.030 2.502 ( 7.714 1.396 -0.000) 7.839 2.629 ( -3.328 -10.274 0.000) 10.800 2.964 ( -6.342 2.654 0.000) 6.875 3.093 ( -8.421 18.338 0.000) 20.179 3.240 ( 1.925 -11.090 0.000) 11.255 3.878 ( -6.900 -22.354 0.000) 23.395 4.145 ( 17.101 10.831 -0.000) 20.243 4.301 ( 10.941 4.557 -0.000) 11.852 4.452 ( -6.288 0.719 0.000) 6.329 4.462 ( -3.189 -5.889 0.000) 6.697 4.781 ( -5.180 -1.438 0.000) 5.376 4.897 ( -4.982 1.034 0.000) 5.088 5.183 ( 4.176 2.447 -0.000) 4.840 5.332 ( 1.050 -1.865 -0.000) 2.140 5.399 ( -0.370 4.523 -0.000) 4.538 5.558 ( 2.519 -3.703 -0.000) 4.479 5.882 ( 4.232 3.013 -0.000) 5.195 6.097 ( 7.919 -8.090 -0.000) 11.321 6.494 ( -0.027 2.604 -0.000) 2.604 6.569 ( 0.320 1.972 -0.000) 1.998 6.979 ( -2.494 5.815 0.000) 6.327 7.223 ( 0.021 -5.401 0.000) 5.401 7.454 ( -8.093 11.765 0.000) 14.280 7.767 ( -6.494 -6.383 0.000) 9.106 18.945 ( 0.597 0.968 -0.000) 1.137 18.986 ( 0.141 -0.715 0.000) 0.729 18.993 ( -0.342 0.683 0.000) 0.764 19.053 ( 1.303 -3.234 -0.000) 3.487 19.281 ( -0.229 0.440 0.000) 0.496 19.293 ( -0.054 -0.234 0.000) 0.240 19.314 ( -1.172 3.051 0.000) 3.268 19.390 ( -0.343 -1.237 0.000) 1.284 42.295 ( 1.878 1.654 -0.000) 2.502 42.392 ( 1.790 -3.325 -0.000) 3.776 42.404 ( -2.004 0.864 0.000) 2.182 42.431 ( 0.148 -0.364 -0.000) 0.393 66.052 ( 1.569 5.327 -0.000) 5.553 66.373 ( 4.818 -12.535 -0.000) 13.429 67.659 ( 4.050 24.135 -0.000) 24.473 68.423 ( 6.182 -17.562 -0.000) 18.618 ======================= Grid point 191 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -10.848 18.004 -2.959) 21.227 1.719 ( -8.792 10.253 -3.113) 13.861 2.356 ( -4.543 12.048 -0.258) 12.879 2.593 ( -0.267 14.504 -1.856) 14.625 3.092 ( 5.960 -9.687 3.880) 12.017 3.341 ( 10.942 -10.210 -1.906) 15.087 3.466 ( 2.119 5.570 0.675) 5.997 3.514 ( -15.340 13.599 0.169) 20.501 3.918 ( -8.793 -4.915 -3.702) 10.732 4.421 ( 1.819 2.089 4.525) 5.305 4.542 ( -2.089 6.291 -4.084) 7.786 4.699 ( -2.253 12.121 -0.466) 12.338 4.748 ( -2.750 -3.196 1.985) 4.660 4.890 ( 19.777 1.542 0.690) 19.849 5.028 ( -12.010 -2.545 -3.861) 12.869 5.159 ( 6.936 -6.311 1.889) 9.565 5.523 ( 0.211 -4.259 1.038) 4.389 5.714 ( -3.699 1.532 0.132) 4.006 5.767 ( 2.805 2.361 -0.387) 3.687 6.350 ( -2.181 3.323 6.992) 8.042 6.535 ( 2.631 -1.863 -7.822) 8.460 6.731 ( 3.236 -9.356 1.366) 9.994 6.811 ( -8.549 -6.992 0.716) 11.067 7.102 ( -4.553 -1.901 4.059) 6.390 7.281 ( 9.767 -0.947 -2.635) 10.161 8.004 ( 5.188 -9.856 0.109) 11.138 18.939 ( -0.073 0.745 -0.144) 0.762 18.957 ( 0.080 1.177 -0.021) 1.180 18.993 ( -0.116 -0.420 -0.161) 0.464 19.145 ( -1.334 4.038 0.113) 4.255 19.244 ( 1.847 -3.687 -0.031) 4.124 19.270 ( 0.208 0.622 0.018) 0.656 19.317 ( 0.579 -0.402 0.080) 0.709 19.394 ( -0.578 -0.742 0.003) 0.941 42.259 ( 0.642 -0.516 -0.077) 0.827 42.362 ( -2.848 -1.429 -0.145) 3.189 42.436 ( 1.310 1.464 0.037) 1.965 42.555 ( 1.578 2.215 0.651) 2.796 65.943 ( -2.477 5.887 -0.220) 6.391 66.969 ( 2.231 -14.180 -0.586) 14.367 67.064 ( 1.438 18.961 2.265) 19.150 68.792 ( -4.751 -13.165 2.077) 14.149 ======================= Grid point 192 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -10.520 16.234 0.000) 19.344 1.876 ( -3.217 5.513 0.000) 6.383 2.554 ( -5.743 13.016 0.000) 14.227 2.688 ( 1.491 12.227 -0.000) 12.317 2.883 ( 7.400 -11.562 -0.000) 13.727 3.012 ( 11.470 -12.424 -0.000) 16.909 3.418 ( 0.510 -2.107 0.000) 2.167 3.955 ( -12.967 15.820 0.000) 20.455 4.016 ( -10.402 -11.997 0.000) 15.879 4.415 ( 8.765 9.952 -0.000) 13.262 4.479 ( 19.269 2.647 -0.000) 19.450 4.632 ( -5.328 3.103 0.000) 6.166 4.787 ( 2.936 2.657 -0.000) 3.960 4.885 ( -6.471 -8.871 0.000) 10.980 5.046 ( 0.857 3.515 -0.000) 3.618 5.203 ( -8.591 3.284 0.000) 9.198 5.475 ( 1.456 -4.158 -0.000) 4.406 5.656 ( 3.613 -2.904 -0.000) 4.636 5.842 ( -2.476 5.157 0.000) 5.720 6.412 ( 2.797 -3.653 -0.000) 4.601 6.466 ( -2.562 1.924 0.000) 3.204 6.571 ( 4.444 -10.198 -0.000) 11.124 6.857 ( -3.485 -5.280 0.000) 6.327 7.170 ( 3.790 8.009 -0.000) 8.861 7.199 ( -5.179 -2.232 0.000) 5.640 7.850 ( 2.591 -9.888 0.000) 10.222 18.944 ( 0.282 0.917 -0.000) 0.959 18.967 ( -0.268 0.903 -0.000) 0.942 18.991 ( -0.172 -0.405 0.000) 0.440 19.178 ( 1.963 -4.063 -0.000) 4.512 19.204 ( -1.504 4.001 0.000) 4.274 19.272 ( 0.166 0.620 -0.000) 0.642 19.306 ( 0.483 -0.338 -0.000) 0.589 19.395 ( -0.499 -0.909 0.000) 1.037 42.278 ( -2.609 0.812 0.000) 2.733 42.393 ( -0.254 -0.483 0.000) 0.545 42.405 ( 1.526 0.270 -0.000) 1.550 42.528 ( 3.280 0.229 -0.000) 3.288 66.007 ( 0.178 5.014 -0.000) 5.017 66.783 ( 4.444 -14.752 0.000) 15.407 67.255 ( -0.682 23.173 -0.000) 23.183 68.735 ( -2.353 -14.206 0.000) 14.399 ======================= Grid point 201 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -10.186 21.109 0.000) 23.438 1.412 ( -13.240 15.293 0.000) 20.228 2.166 ( -5.274 12.146 0.000) 13.241 2.361 ( -8.937 24.175 0.000) 25.774 2.828 ( -30.894 21.217 0.000) 37.478 3.242 ( -0.233 -6.847 0.000) 6.851 3.539 ( 5.136 8.203 -0.000) 9.678 3.714 ( 13.181 -13.364 -0.000) 18.770 3.913 ( 5.481 -6.291 -0.000) 8.344 4.423 ( -0.099 7.479 -0.000) 7.480 4.468 ( 1.571 -1.026 -0.000) 1.877 4.531 ( -6.083 7.978 0.000) 10.033 4.778 ( 0.377 -6.786 0.000) 6.797 4.852 ( -4.704 2.645 0.000) 5.397 5.241 ( 19.679 1.053 -0.000) 19.707 5.342 ( 6.803 -7.462 -0.000) 10.098 5.559 ( -0.565 -3.575 0.000) 3.620 5.580 ( -7.714 3.236 0.000) 8.366 5.823 ( 2.992 -0.607 -0.000) 3.053 6.286 ( -3.738 5.782 0.000) 6.885 6.594 ( 4.998 -3.279 -0.000) 5.977 6.644 ( -17.747 -5.430 0.000) 18.560 6.865 ( 1.216 -8.876 0.000) 8.959 7.046 ( -4.779 -2.072 0.000) 5.209 7.509 ( 14.062 -3.888 -0.000) 14.589 8.180 ( 5.325 -9.449 -0.000) 10.846 18.930 ( -0.274 0.516 0.000) 0.584 18.948 ( 0.299 1.490 -0.000) 1.520 18.994 ( -0.060 -0.437 0.000) 0.441 19.093 ( -0.757 3.725 -0.000) 3.801 19.268 ( 0.191 0.602 -0.000) 0.631 19.301 ( 1.481 -2.969 -0.000) 3.318 19.331 ( 0.552 -0.455 -0.000) 0.715 19.390 ( -0.570 -0.663 0.000) 0.875 42.305 ( 3.577 -1.707 -0.000) 3.963 42.333 ( -1.926 -1.173 0.000) 2.255 42.419 ( -1.538 1.732 0.000) 2.316 42.544 ( -0.625 2.733 -0.000) 2.803 65.828 ( -4.130 6.740 0.000) 7.904 66.974 ( 3.526 14.280 -0.000) 14.709 67.095 ( -1.138 -13.043 0.000) 13.092 68.835 ( -6.436 -13.780 0.000) 15.209 ======================= Grid point 211 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.000 26.412 0.000) 26.412 1.074 ( 0.000 29.479 0.000) 29.479 1.867 ( 0.000 49.698 0.000) 49.698 2.109 ( 0.000 14.708 0.000) 14.708 2.411 ( 0.000 22.476 0.000) 22.476 3.171 ( -0.000 -5.445 -0.000) 5.445 3.668 ( 0.000 15.832 0.000) 15.832 3.990 ( -0.000 -18.270 -0.000) 18.270 4.012 ( -0.000 -12.185 -0.000) 12.185 4.264 ( 0.000 7.454 0.000) 7.454 4.472 ( 0.000 8.953 0.000) 8.953 4.527 ( -0.000 -4.756 -0.000) 4.756 4.837 ( -0.000 -5.870 -0.000) 5.870 5.367 ( 0.000 1.268 0.000) 1.268 5.368 ( -0.000 -1.769 -0.000) 1.769 5.466 ( -0.000 -7.423 -0.000) 7.423 5.521 ( 0.000 6.223 0.000) 6.223 5.545 ( -0.000 -3.158 -0.000) 3.158 5.573 ( -0.000 -5.078 -0.000) 5.078 6.061 ( 0.000 4.430 0.000) 4.430 6.229 ( 0.000 7.330 0.000) 7.330 6.726 ( -0.000 -1.907 -0.000) 1.907 6.844 ( -0.000 -9.356 -0.000) 9.356 6.968 ( -0.000 -4.584 -0.000) 4.584 7.880 ( -0.000 -4.288 -0.000) 4.288 8.276 ( -0.000 -10.013 -0.000) 10.013 18.924 ( 0.000 0.417 0.000) 0.417 18.963 ( 0.000 2.879 0.000) 2.879 18.993 ( -0.000 -0.524 -0.000) 0.524 19.085 ( 0.000 1.823 0.000) 1.823 19.273 ( 0.000 0.688 0.000) 0.688 19.334 ( -0.000 -1.975 -0.000) 1.975 19.339 ( -0.000 -0.869 -0.000) 0.869 19.374 ( -0.000 -1.330 -0.000) 1.330 42.328 ( 0.000 0.674 0.000) 0.674 42.347 ( 0.000 0.664 0.000) 0.664 42.424 ( -0.000 -0.655 -0.000) 0.655 42.453 ( -0.000 -0.658 -0.000) 0.658 65.749 ( 0.000 8.427 0.000) 8.427 66.998 ( -0.000 -7.582 -0.000) 7.582 67.043 ( 0.000 12.359 0.000) 12.359 68.635 ( -0.000 -8.530 -0.000) 8.530 ======================= Grid point 212 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -4.727 24.620 2.226) 25.169 1.428 ( -9.111 24.306 3.157) 26.149 2.257 ( -1.085 18.019 3.193) 18.331 2.455 ( -13.543 37.339 3.491) 39.872 2.681 ( -9.383 23.061 1.763) 24.959 3.127 ( -2.445 -7.399 -3.329) 8.474 3.657 ( 4.717 -3.529 -9.335) 11.039 3.797 ( 9.202 -8.872 5.952) 14.100 3.951 ( 1.600 -5.491 5.874) 8.199 4.383 ( -4.146 1.352 -4.122) 6.001 4.489 ( -1.995 -2.199 6.077) 6.763 4.537 ( 1.267 10.237 -0.411) 10.323 4.762 ( 2.569 -6.083 1.039) 6.684 5.009 ( 15.745 5.723 -0.758) 16.770 5.355 ( 3.864 -8.035 -1.768) 9.090 5.461 ( 7.765 -3.311 -0.680) 8.469 5.501 ( -1.350 -2.230 -1.743) 3.136 5.527 ( -3.758 3.167 1.525) 5.145 5.784 ( -9.004 -2.039 -1.042) 9.291 6.234 ( -16.253 2.482 -1.994) 16.562 6.290 ( -3.439 4.460 -4.880) 7.452 6.676 ( 4.908 -3.079 5.430) 7.940 6.782 ( -0.962 -10.497 1.291) 10.619 6.940 ( -3.457 -3.944 -2.844) 5.966 7.725 ( 12.473 -2.701 -0.222) 12.764 8.155 ( 2.754 -11.026 -0.860) 11.397 18.931 ( -0.217 0.498 0.252) 0.599 18.981 ( 1.024 3.040 0.073) 3.208 18.990 ( -0.048 -0.572 0.258) 0.629 19.108 ( -0.820 2.766 -0.247) 2.896 19.277 ( 0.194 0.754 -0.018) 0.778 19.300 ( 1.415 -2.798 0.044) 3.135 19.331 ( 0.082 -0.900 -0.108) 0.910 19.369 ( -0.741 -1.360 -0.035) 1.549 42.314 ( 0.621 -0.328 0.102) 0.710 42.356 ( 4.261 -1.650 0.098) 4.570 42.395 ( -3.039 1.694 -0.022) 3.479 42.511 ( -4.267 0.382 -0.517) 4.315 65.853 ( -2.033 9.704 0.980) 9.963 66.934 ( -3.075 -8.969 -4.037) 10.305 67.156 ( 2.489 12.897 2.288) 13.333 68.574 ( -6.484 -11.246 -7.055) 14.775 ======================= Grid point 213 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -6.866 20.476 2.500) 21.741 1.789 ( -6.040 19.608 6.668) 21.573 2.445 ( -0.631 15.253 2.059) 15.405 2.794 ( 2.657 17.884 4.834) 18.715 3.030 ( 1.292 -4.894 -5.571) 7.527 3.240 ( -24.255 22.562 -0.864) 33.137 3.418 ( 6.294 -16.240 -1.423) 17.475 3.648 ( 7.457 -2.045 2.054) 8.000 3.871 ( 6.213 -6.297 8.167) 12.039 4.349 ( -1.938 -2.803 -7.466) 8.207 4.613 ( -2.955 5.904 3.726) 7.581 4.658 ( -1.650 1.367 0.131) 2.147 4.725 ( -4.722 3.782 3.640) 7.060 4.934 ( 0.882 3.541 1.210) 3.845 5.183 ( 6.897 -7.296 -2.200) 10.278 5.247 ( 14.731 1.097 -1.244) 14.824 5.453 ( -1.203 -5.556 -2.346) 6.150 5.673 ( -5.104 4.899 0.725) 7.112 5.825 ( 0.309 2.433 -0.527) 2.509 6.284 ( -0.889 1.458 -8.174) 8.351 6.492 ( -16.093 -3.913 -4.437) 17.146 6.649 ( 3.574 -1.409 8.078) 8.945 6.689 ( 1.305 -11.537 1.449) 11.701 6.967 ( -5.494 -2.882 -2.168) 6.572 7.485 ( 13.244 -0.480 -0.537) 13.263 7.996 ( 4.242 -10.354 0.005) 11.189 18.943 ( -0.329 0.575 0.431) 0.790 18.986 ( 0.940 1.571 0.094) 1.833 18.990 ( 0.284 0.661 0.369) 0.808 19.153 ( -1.482 3.543 -0.340) 3.855 19.244 ( 1.925 -3.554 0.035) 4.043 19.280 ( 0.301 0.761 -0.047) 0.820 19.319 ( 0.292 -0.729 -0.211) 0.813 19.371 ( -0.939 -1.492 -0.020) 1.763 42.283 ( 2.792 -0.964 0.220) 2.962 42.315 ( -1.274 -1.206 0.358) 1.791 42.451 ( -1.386 2.113 -0.151) 2.531 42.561 ( -1.724 0.666 -1.182) 2.193 65.980 ( -1.680 9.579 0.784) 9.757 66.861 ( -1.302 -12.221 -0.771) 12.315 67.226 ( 3.030 16.631 -3.941) 17.358 68.539 ( -8.191 -12.825 -4.325) 15.820 ======================= Grid point 214 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -7.715 15.628 1.884) 17.530 2.069 ( -0.370 17.299 7.754) 18.961 2.528 ( 0.900 3.800 -4.249) 5.771 2.794 ( 5.176 1.322 -3.023) 6.139 2.982 ( 7.270 11.149 3.743) 13.826 3.166 ( 9.829 -13.442 6.672) 17.939 3.535 ( 2.349 -0.897 3.095) 3.988 3.718 ( -13.935 9.685 -3.855) 17.402 3.907 ( -7.105 -5.676 7.394) 11.720 4.260 ( -0.771 -4.920 -11.167) 12.227 4.634 ( 2.036 0.080 -1.943) 2.816 4.720 ( -1.242 6.530 -0.691) 6.682 4.848 ( 11.760 -2.727 -1.657) 12.185 4.972 ( -2.527 5.650 5.225) 8.100 5.082 ( 1.161 5.738 -0.060) 5.855 5.090 ( -4.835 -1.455 3.879) 6.367 5.410 ( -1.249 -4.430 -2.146) 5.079 5.705 ( 2.506 -3.030 -0.779) 4.008 5.887 ( -0.595 9.605 1.192) 9.697 6.225 ( -2.069 -3.957 -6.668) 8.025 6.534 ( 3.184 -10.934 0.095) 11.389 6.625 ( -6.809 -4.050 -3.210) 8.548 6.689 ( -0.287 1.474 6.817) 6.981 7.017 ( -4.624 -0.311 -2.959) 5.498 7.310 ( 5.937 -0.985 -1.744) 6.266 7.863 ( 3.411 -7.048 2.939) 8.363 18.957 ( -0.225 0.602 0.447) 0.782 18.984 ( 0.614 0.766 0.066) 0.984 18.995 ( 0.534 1.312 0.342) 1.457 19.178 ( 2.064 -3.934 0.100) 4.443 19.208 ( -1.612 3.664 -0.319) 4.016 19.280 ( 0.357 0.653 -0.193) 0.769 19.307 ( 0.265 -0.512 -0.196) 0.609 19.372 ( -0.903 -1.666 0.008) 1.895 42.263 ( -0.338 0.574 0.317) 0.738 42.340 ( -2.710 -1.724 0.453) 3.243 42.464 ( 1.904 1.974 -0.313) 2.761 42.554 ( 1.456 -0.070 -1.321) 1.967 66.073 ( 0.350 8.476 -0.088) 8.483 66.736 ( 3.066 -13.894 1.221) 14.281 67.304 ( -1.409 17.837 -9.217) 20.128 68.552 ( -7.911 -11.627 1.611) 14.155 ======================= Grid point 215 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -4.348 9.962 -0.088) 10.869 2.182 ( 9.723 11.929 2.975) 15.675 2.462 ( 0.834 -4.928 -1.330) 5.172 2.671 ( 4.182 -2.518 -3.735) 6.147 2.926 ( 10.696 5.816 2.538) 12.437 3.123 ( 0.196 5.970 9.589) 11.298 3.577 ( -1.488 0.074 7.184) 7.337 3.851 ( -2.976 -10.307 2.604) 11.040 3.955 ( -0.166 -0.715 -7.761) 7.796 4.105 ( -0.070 -7.072 -13.165) 14.944 4.497 ( 10.102 2.226 -0.650) 10.365 4.674 ( 2.734 -1.673 -2.953) 4.358 4.839 ( 0.493 9.913 1.533) 10.043 4.920 ( 5.912 -1.173 2.479) 6.517 5.209 ( -3.501 1.378 0.820) 3.851 5.264 ( -6.173 2.465 -0.147) 6.649 5.432 ( -5.225 1.906 1.788) 5.842 5.604 ( 1.077 -6.360 0.454) 6.467 5.949 ( 4.032 7.439 -0.218) 8.464 6.200 ( -3.000 -3.419 -2.515) 5.198 6.410 ( -0.315 -9.706 1.576) 9.839 6.667 ( -3.009 -0.832 3.996) 5.071 6.806 ( -5.437 5.548 -0.264) 7.772 7.056 ( -3.440 2.570 -5.321) 6.837 7.223 ( -0.305 -5.427 -2.510) 5.987 7.833 ( 0.053 -2.215 6.225) 6.607 18.966 ( 0.076 0.472 0.248) 0.539 18.981 ( 0.657 0.907 0.041) 1.121 19.001 ( 0.436 1.173 0.246) 1.275 19.112 ( 1.925 -3.898 0.179) 4.351 19.261 ( -1.379 2.855 -0.267) 3.182 19.276 ( 0.292 0.580 -0.438) 0.784 19.302 ( -0.063 0.085 0.027) 0.109 19.371 ( -0.790 -1.830 0.038) 1.994 42.304 ( -2.810 1.742 0.212) 3.313 42.375 ( -2.849 -1.852 0.315) 3.412 42.424 ( 4.291 1.855 -0.322) 4.686 42.496 ( 3.400 -1.518 -0.803) 3.809 66.125 ( 1.753 8.386 -0.183) 8.569 66.548 ( 5.330 -14.186 0.757) 15.173 67.409 ( -4.429 13.946 -11.350) 18.518 68.620 ( -5.832 -7.648 7.108) 11.960 ======================= Grid point 216 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 15.858 1.909 -8.907) 18.288 2.144 ( 5.534 5.337 2.929) 8.227 2.389 ( 3.898 -5.562 3.457) 7.622 2.612 ( 1.926 1.441 -3.197) 4.001 2.884 ( 1.681 2.604 5.555) 6.361 3.276 ( -0.219 8.538 4.372) 9.595 3.623 ( 6.570 2.145 5.314) 8.718 3.777 ( -2.101 -8.737 4.173) 9.908 3.833 ( 0.617 -2.113 -14.779) 14.942 3.968 ( -7.033 -7.560 -12.816) 16.458 4.406 ( 5.712 0.443 4.213) 7.112 4.579 ( 4.201 -2.818 -0.322) 5.069 4.749 ( 9.990 -0.507 -3.176) 10.495 4.932 ( 1.058 2.797 -0.678) 3.067 5.190 ( -2.238 1.491 2.055) 3.384 5.423 ( 0.148 2.644 1.043) 2.846 5.496 ( -3.188 2.294 0.377) 3.946 5.649 ( -5.931 -2.444 2.185) 6.777 5.879 ( 7.450 1.635 -1.874) 7.854 6.176 ( 3.490 -1.474 4.925) 6.214 6.441 ( -6.991 -3.665 1.168) 7.979 6.769 ( -3.811 1.329 1.062) 4.173 6.947 ( -5.932 4.746 0.881) 7.648 7.107 ( -6.315 3.302 -5.362) 8.918 7.179 ( -2.686 -5.582 -1.689) 6.421 7.915 ( -3.421 0.297 7.108) 7.894 18.965 ( 0.311 0.058 -0.178) 0.363 18.979 ( 0.892 1.487 0.228) 1.749 19.003 ( 0.537 0.444 0.054) 0.698 19.055 ( 1.335 -2.918 0.159) 3.212 19.266 ( 0.273 0.000 -0.418) 0.499 19.297 ( -0.674 0.468 -0.022) 0.821 19.320 ( -0.990 2.317 -0.059) 2.521 19.367 ( -0.660 -1.880 0.060) 1.993 42.363 ( 2.157 2.268 -0.043) 3.130 42.375 ( -0.934 1.855 -0.030) 2.078 42.401 ( -1.353 -1.704 -0.018) 2.176 42.417 ( 2.625 -2.746 0.011) 3.799 66.147 ( 6.098 8.119 -0.223) 10.157 66.374 ( 0.240 -12.056 1.130) 12.111 67.475 ( -3.894 7.047 -11.105) 13.717 68.721 ( -2.336 -2.829 10.806) 11.412 ======================= Grid point 217 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 17.025 0.000 -12.021) 20.841 2.037 ( 12.380 0.000 -0.925) 12.415 2.290 ( 8.640 -0.000 3.072) 9.170 2.495 ( 7.067 0.000 -7.909) 10.606 3.022 ( -7.253 -0.000 10.930) 13.117 3.297 ( 0.894 0.000 -2.127) 2.307 3.446 ( 18.103 0.000 -4.031) 18.546 3.763 ( -7.118 0.000 -5.244) 8.841 3.893 ( -5.445 -0.000 8.455) 10.057 3.992 ( -12.788 0.000 -15.601) 20.173 4.345 ( 5.814 -0.000 3.408) 6.739 4.503 ( 2.748 -0.000 1.464) 3.113 4.619 ( -2.150 0.000 -5.301) 5.720 4.909 ( 0.495 0.000 -1.118) 1.223 5.309 ( -2.939 -0.000 4.713) 5.554 5.410 ( 0.841 -0.000 1.713) 1.909 5.485 ( 5.774 0.000 -2.690) 6.370 5.722 ( -2.442 -0.000 1.464) 2.847 5.761 ( 5.757 -0.000 0.950) 5.835 6.164 ( 4.768 -0.000 8.840) 10.044 6.530 ( -3.590 -0.000 1.766) 4.001 6.783 ( -0.425 0.000 -5.180) 5.197 7.052 ( -3.928 0.000 -2.207) 4.505 7.156 ( -0.339 0.000 -0.558) 0.653 7.285 ( -11.657 -0.000 2.480) 11.917 8.052 ( -5.868 -0.000 5.844) 8.282 18.956 ( 0.470 0.000 -0.433) 0.639 18.980 ( 0.960 -0.000 0.549) 1.106 18.983 ( 1.248 0.000 -0.072) 1.250 19.031 ( 0.117 0.000 -0.308) 0.330 19.259 ( 0.097 0.000 -0.306) 0.321 19.309 ( -0.696 -0.000 0.179) 0.719 19.353 ( -1.155 0.000 -0.126) 1.162 19.364 ( -0.391 -0.000 0.075) 0.398 42.340 ( 1.477 -0.000 0.073) 1.478 42.355 ( 1.246 -0.000 0.802) 1.482 42.413 ( -0.530 0.000 -0.188) 0.562 42.414 ( -0.737 0.000 -0.258) 0.781 66.026 ( 9.646 0.000 -1.343) 9.740 66.404 ( -5.749 -0.000 3.214) 6.586 67.471 ( -2.257 0.000 -8.431) 8.728 68.818 ( 2.121 -0.000 13.458) 13.624 ======================= Grid point 222 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -0.000 22.755 7.136) 23.848 1.123 ( 0.000 27.741 5.679) 28.316 1.968 ( -0.000 45.707 11.455) 47.121 2.176 ( -0.000 14.548 7.217) 16.240 2.451 ( 0.000 22.356 4.870) 22.881 3.111 ( 0.000 -4.328 -6.969) 8.203 3.592 ( 0.000 5.489 -7.919) 9.635 4.029 ( -0.000 -8.180 3.737) 8.993 4.063 ( -0.000 -11.626 4.151) 12.345 4.294 ( -0.000 4.003 3.295) 5.185 4.451 ( 0.000 8.219 -1.236) 8.311 4.586 ( -0.000 -3.878 5.859) 7.026 4.848 ( -0.000 -6.200 1.194) 6.314 5.330 ( 0.000 -1.753 -4.060) 4.422 5.339 ( 0.000 -1.353 -3.233) 3.505 5.457 ( -0.000 -3.387 -0.749) 3.469 5.534 ( 0.000 -3.482 -0.902) 3.597 5.541 ( -0.000 5.160 1.658) 5.420 5.562 ( 0.000 -4.950 -1.226) 5.099 6.032 ( 0.000 4.178 -3.105) 5.205 6.169 ( 0.000 6.070 -5.976) 8.518 6.797 ( -0.000 -0.862 7.173) 7.225 6.856 ( 0.000 -4.511 -5.568) 7.166 6.911 ( -0.000 -6.715 0.770) 6.759 7.868 ( 0.000 -3.406 -1.048) 3.564 8.255 ( 0.000 -10.129 -2.421) 10.415 18.928 ( -0.000 0.439 0.498) 0.664 18.965 ( 0.000 2.855 0.215) 2.863 18.995 ( -0.000 0.040 0.134) 0.140 19.082 ( 0.000 1.251 -0.301) 1.287 19.273 ( 0.000 0.592 0.107) 0.602 19.335 ( -0.000 -1.957 0.116) 1.961 19.337 ( 0.000 -0.875 -0.222) 0.903 19.373 ( -0.000 -1.341 -0.119) 1.347 42.329 ( 0.000 0.685 0.135) 0.698 42.347 ( 0.000 0.667 0.003) 0.667 42.425 ( -0.000 -0.652 0.089) 0.658 42.449 ( 0.000 -0.622 -0.448) 0.767 65.771 ( -0.000 8.299 2.455) 8.654 66.859 ( 0.000 1.600 -9.799) 9.929 67.161 ( -0.000 3.257 7.309) 8.002 68.429 ( 0.000 1.444 -20.460) 20.511 ======================= Grid point 223 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -5.501 19.015 6.838) 20.943 1.524 ( -11.299 22.208 7.623) 26.057 2.353 ( 0.856 16.787 7.184) 18.280 2.571 ( -11.698 34.305 9.749) 37.533 2.748 ( -6.601 21.648 6.214) 23.470 3.018 ( -1.393 -4.706 -8.918) 10.179 3.482 ( -2.425 -9.461 -10.961) 14.681 3.891 ( 10.839 -7.097 4.924) 13.860 4.086 ( 2.100 -1.085 8.378) 8.705 4.329 ( 1.701 -0.469 -2.526) 3.081 4.531 ( -1.055 8.235 0.525) 8.319 4.602 ( -1.350 -1.154 6.565) 6.801 4.795 ( 1.027 -6.623 2.726) 7.236 4.987 ( 13.017 4.732 -1.652) 13.948 5.299 ( 4.105 -6.895 -4.489) 9.195 5.440 ( 7.222 -3.135 -1.741) 8.063 5.460 ( -0.145 -4.135 -3.009) 5.116 5.556 ( -4.466 3.645 1.618) 5.988 5.755 ( -7.897 0.222 -2.057) 8.164 6.163 ( -5.327 6.466 -6.293) 10.478 6.185 ( -13.341 -2.103 -5.878) 14.730 6.742 ( 2.019 -2.753 -5.796) 6.727 6.823 ( 2.049 -4.890 7.808) 9.438 6.918 ( -3.651 -4.872 3.135) 6.848 7.718 ( 12.025 -3.234 -0.650) 12.469 8.126 ( 1.583 -10.565 -2.530) 10.978 18.939 ( -0.173 0.516 0.709) 0.894 18.984 ( 1.081 2.993 0.201) 3.189 18.997 ( -0.005 -0.371 0.524) 0.642 19.101 ( -0.978 2.613 -0.635) 2.862 19.277 ( 0.223 0.501 0.007) 0.548 19.301 ( 1.439 -2.668 0.109) 3.033 19.327 ( 0.105 -0.898 -0.302) 0.953 19.368 ( -0.824 -1.387 -0.097) 1.616 42.317 ( 0.561 -0.283 0.274) 0.685 42.360 ( 4.109 -1.579 0.266) 4.410 42.394 ( -2.963 1.636 -0.058) 3.385 42.496 ( -3.581 0.620 -1.069) 3.788 65.885 ( -1.297 9.284 2.732) 9.765 66.825 ( -4.994 -2.180 -8.033) 9.707 67.206 ( 5.890 6.149 2.928) 9.004 68.377 ( -11.028 -3.535 -14.056) 18.212 ======================= Grid point 224 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -7.717 14.205 5.838) 17.188 1.930 ( -6.945 18.267 9.303) 21.644 2.487 ( 1.807 8.218 2.071) 8.665 2.839 ( 3.826 1.335 -3.275) 5.210 2.993 ( 2.571 19.275 5.844) 20.305 3.208 ( -15.129 15.205 -3.105) 21.673 3.415 ( -9.761 -11.621 0.646) 15.190 3.680 ( 12.427 -1.405 1.691) 12.620 4.025 ( 7.386 -4.427 8.889) 12.376 4.246 ( 0.603 -5.384 -3.966) 6.715 4.608 ( -0.362 4.431 -3.181) 5.467 4.695 ( -0.358 1.086 3.431) 3.616 4.800 ( -5.334 3.491 4.883) 8.030 4.966 ( -2.425 -0.307 1.934) 3.117 5.124 ( 5.291 -3.287 -4.412) 7.633 5.231 ( 14.081 0.963 -0.465) 14.122 5.400 ( -1.866 -5.331 -3.606) 6.701 5.682 ( -3.950 2.782 -0.218) 4.836 5.815 ( -1.033 5.352 -0.279) 5.458 6.160 ( -1.985 -0.436 -6.054) 6.386 6.389 ( -15.294 -3.201 -7.301) 17.247 6.638 ( 1.361 -4.461 -4.972) 6.817 6.822 ( 2.166 -3.830 8.895) 9.924 6.960 ( -2.529 -3.215 2.138) 4.616 7.465 ( 12.129 -3.683 -1.940) 12.824 7.994 ( 2.732 -7.887 -0.356) 8.354 18.953 ( -0.202 0.555 0.772) 0.972 18.988 ( 1.365 2.370 0.159) 2.740 18.998 ( 0.067 -0.104 0.479) 0.495 19.146 ( -1.636 3.581 -0.542) 3.974 19.245 ( 1.863 -3.504 0.054) 3.969 19.279 ( 0.367 0.557 -0.029) 0.668 19.314 ( 0.251 -0.723 -0.383) 0.855 19.370 ( -0.990 -1.497 -0.029) 1.795 42.289 ( 2.709 -0.855 0.373) 2.865 42.323 ( -1.224 -1.122 0.591) 1.763 42.448 ( -1.339 1.922 -0.249) 2.356 42.535 ( -1.424 1.019 -1.673) 2.421 66.000 ( -0.555 8.515 1.528) 8.669 66.831 ( -5.487 -7.283 -3.093) 9.629 67.142 ( 7.638 10.247 -5.090) 13.757 68.452 ( -12.855 -6.577 -5.158) 15.333 ======================= Grid point 225 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -7.929 9.955 4.256) 13.420 2.195 ( 1.238 14.085 5.549) 15.189 2.490 ( -1.035 -3.223 0.746) 3.466 2.741 ( 8.262 5.039 -1.936) 9.869 3.073 ( 12.632 13.952 6.752) 19.996 3.240 ( 2.064 -5.582 -0.785) 6.003 3.542 ( 2.011 4.381 -1.589) 5.075 3.685 ( -11.963 2.391 -0.076) 12.200 4.031 ( -1.466 -2.295 4.378) 5.156 4.144 ( -0.423 -13.549 0.705) 13.574 4.576 ( 2.880 2.347 -4.259) 5.652 4.694 ( 4.205 2.145 -2.226) 5.219 4.835 ( 4.140 -2.610 0.111) 4.895 5.007 ( 6.052 4.050 -0.855) 7.332 5.093 ( -6.315 8.051 2.230) 10.473 5.170 ( -5.173 -1.253 3.707) 6.486 5.375 ( -2.537 -3.039 -1.766) 4.335 5.674 ( 1.690 -3.273 -2.914) 4.697 5.920 ( -0.012 10.070 2.790) 10.449 6.128 ( -4.337 -5.959 -4.833) 8.814 6.518 ( -5.762 -1.396 -4.324) 7.338 6.536 ( -2.311 -4.135 -3.129) 5.677 6.826 ( 2.804 -1.772 7.418) 8.126 6.972 ( -0.765 -0.654 -1.800) 2.062 7.272 ( 3.407 -5.766 -2.701) 7.222 7.914 ( 1.865 -3.180 2.782) 4.618 18.966 ( -0.023 0.456 0.616) 0.767 18.985 ( 1.067 1.464 0.155) 1.818 19.001 ( 0.345 0.771 0.291) 0.893 19.180 ( 1.993 -3.855 0.127) 4.342 19.202 ( -1.693 3.658 -0.396) 4.050 19.276 ( 0.411 0.367 -0.228) 0.597 19.303 ( 0.089 -0.417 -0.278) 0.509 19.372 ( -0.917 -1.631 0.022) 1.871 42.269 ( -0.191 0.660 0.406) 0.798 42.349 ( -2.535 -1.670 0.586) 3.091 42.458 ( 1.804 1.692 -0.386) 2.503 42.529 ( 1.141 0.305 -1.519) 1.924 66.073 ( 0.603 7.240 0.124) 7.266 66.760 ( 3.163 -13.445 1.481) 13.891 67.127 ( -2.094 14.024 -10.793) 17.820 68.581 ( -10.882 -5.640 1.645) 12.366 ======================= Grid point 226 (93/171) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 1.990 5.299 -1.477) 5.850 2.217 ( 3.684 1.891 1.573) 4.430 2.518 ( 3.927 1.610 7.661) 8.758 2.639 ( 6.304 4.686 0.393) 7.864 2.984 ( 10.619 5.405 3.928) 12.546 3.234 ( 0.385 7.960 1.201) 8.059 3.550 ( -3.265 3.697 -10.339) 11.455 3.767 ( -1.431 -4.953 -5.145) 7.284 3.973 ( 8.192 -5.692 1.926) 10.159 4.010 ( 1.321 -17.053 4.027) 17.572 4.515 ( 4.665 2.704 2.701) 6.030 4.600 ( 1.269 0.148 -5.069) 5.228 4.874 ( 2.308 6.136 2.622) 7.061 4.947 ( 4.127 -0.959 0.959) 4.344 5.196 ( 2.248 -1.638 -1.506) 3.163 5.261 ( -9.588 5.409 -0.949) 11.050 5.444 ( -3.441 3.631 -0.458) 5.024 5.605 ( -3.331 -6.079 -0.298) 6.938 5.952 ( 4.993 3.402 0.331) 6.051 6.182 ( -6.721 0.333 0.407) 6.741 6.443 ( -0.720 -8.301 2.188) 8.615 6.663 ( -6.796 5.307 -2.517) 8.983 6.854 ( -1.913 -0.016 3.360) 3.867 6.958 ( -1.889 1.992 -4.925) 5.638 7.190 ( -1.620 -6.944 -1.623) 7.313 7.929 ( -0.871 0.535 4.859) 4.965 18.970 ( 0.296 0.057 0.159) 0.341 18.984 ( 1.017 1.666 0.292) 1.974 19.004 ( 0.378 0.840 0.108) 0.927 19.115 ( 1.906 -3.880 0.163) 4.326 19.257 ( -1.506 2.959 -0.261) 3.331 19.269 ( 0.319 0.236 -0.382) 0.551 19.301 ( -0.267 0.162 -0.063) 0.318 19.372 ( -0.767 -1.752 0.056) 1.913 42.308 ( -2.558 1.770 0.220) 3.119 42.381 ( -2.531 -1.858 0.331) 3.157 42.418 ( 4.032 1.662 -0.306) 4.372 42.482 ( 2.661 -1.274 -0.757) 3.046 66.122 ( 1.232 7.961 -0.127) 8.056 66.562 ( 5.771 -14.611 0.763) 15.728 67.224 ( -6.031 10.343 -9.776) 15.457 68.731 ( -7.962 -2.891 5.639) 10.176 ======================= Grid point 227 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 18.065 -0.510 -7.991) 19.760 2.201 ( 6.992 1.539 3.460) 7.952 2.495 ( 7.834 -0.531 8.396) 11.495 2.579 ( 9.369 4.626 -0.343) 10.454 2.984 ( -3.355 1.740 6.057) 7.139 3.290 ( 1.944 5.964 -5.762) 8.518 3.560 ( -7.600 7.061 -13.351) 16.908 3.613 ( 6.690 -4.232 -3.706) 8.741 3.779 ( 3.010 -7.322 -2.145) 8.202 3.966 ( -3.145 -13.276 7.386) 15.515 4.502 ( 4.802 2.116 5.022) 7.263 4.542 ( 1.689 -0.600 -2.790) 3.316 4.705 ( 14.150 -4.997 -1.138) 15.050 4.902 ( 1.464 1.988 -2.500) 3.514 5.245 ( -5.190 3.630 3.704) 7.337 5.433 ( -1.537 1.926 0.284) 2.480 5.479 ( -1.919 4.370 -2.032) 5.187 5.662 ( -5.937 -2.912 -0.219) 6.616 5.863 ( 6.034 -0.602 -0.246) 6.069 6.286 ( 0.860 3.511 7.243) 8.095 6.465 ( -6.862 -6.005 1.678) 9.271 6.736 ( 0.175 1.965 -3.737) 4.225 6.912 ( -6.377 1.660 -5.462) 8.559 7.084 ( -10.329 4.000 2.785) 11.421 7.163 ( -2.751 -4.596 -0.742) 5.408 8.017 ( -3.314 1.345 4.735) 5.934 18.962 ( 0.547 -0.052 -0.177) 0.577 18.985 ( 1.119 1.947 0.364) 2.275 19.003 ( 0.422 0.237 -0.010) 0.484 19.056 ( 1.501 -3.058 0.015) 3.406 19.260 ( 0.215 -0.068 -0.263) 0.346 19.296 ( -0.943 0.726 -0.081) 1.192 19.319 ( -1.002 1.955 -0.058) 2.198 19.368 ( -0.594 -1.744 0.064) 1.844 42.363 ( 2.355 2.274 0.064) 3.274 42.374 ( -1.207 1.773 -0.132) 2.149 42.401 ( -1.310 -1.631 0.044) 2.092 42.417 ( 2.127 -2.768 0.034) 3.491 66.144 ( 6.977 8.001 -0.083) 10.616 66.392 ( -1.675 -12.462 0.915) 12.607 67.312 ( -5.290 5.286 -7.666) 10.709 68.881 ( -4.976 -0.407 7.578) 9.075 ======================= Grid point 228 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 20.456 0.000 -8.630) 22.202 2.026 ( 16.751 -0.000 -0.354) 16.755 2.369 ( 14.824 -0.000 5.264) 15.730 2.385 ( 12.006 0.000 -4.662) 12.879 3.190 ( 1.787 0.000 -8.315) 8.505 3.218 ( -12.666 -0.000 11.927) 17.397 3.443 ( 14.828 -0.000 3.463) 15.227 3.674 ( -3.610 0.000 -5.502) 6.581 3.729 ( -14.449 0.000 -14.814) 20.694 4.022 ( -4.553 -0.000 6.259) 7.740 4.413 ( 9.154 -0.000 3.666) 9.861 4.479 ( 5.175 0.000 -4.063) 6.579 4.570 ( -6.424 0.000 -0.152) 6.426 4.895 ( -1.091 0.000 -0.470) 1.188 5.373 ( 4.169 -0.000 2.135) 4.683 5.431 ( -0.379 -0.000 0.748) 0.839 5.451 ( 0.280 0.000 -0.778) 0.827 5.728 ( -3.695 0.000 -0.235) 3.703 5.782 ( 4.312 -0.000 1.061) 4.441 6.335 ( 4.460 -0.000 10.465) 11.376 6.555 ( -5.088 -0.000 1.115) 5.208 6.673 ( 0.784 0.000 -7.525) 7.566 6.979 ( -4.920 0.000 -4.319) 6.547 7.145 ( 0.121 0.000 -0.622) 0.634 7.361 ( -13.525 -0.000 4.307) 14.194 8.129 ( -5.281 -0.000 3.152) 6.150 18.950 ( 0.642 0.000 -0.266) 0.695 18.983 ( 1.259 -0.000 0.004) 1.259 18.991 ( 0.790 -0.000 0.760) 1.096 19.022 ( 0.582 0.000 -0.719) 0.925 19.256 ( 0.030 0.000 -0.111) 0.115 19.311 ( -0.833 -0.000 0.066) 0.836 19.351 ( -1.233 0.000 -0.073) 1.235 19.365 ( -0.309 -0.000 0.049) 0.313 42.341 ( 1.297 -0.000 0.049) 1.298 42.368 ( 0.793 -0.000 0.703) 1.060 42.409 ( -0.625 0.000 -0.270) 0.681 42.410 ( -0.395 0.000 -0.128) 0.415 66.010 ( 10.473 0.000 -0.508) 10.485 66.446 ( -7.473 -0.000 1.701) 7.664 67.357 ( -3.903 0.000 -4.636) 6.061 69.010 ( -2.429 -0.000 8.355) 8.701 ======================= Grid point 229 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 22.242 -0.000 -0.000) 22.242 2.024 ( 18.638 -0.000 -0.000) 18.638 2.344 ( 13.918 -0.000 -0.000) 13.918 2.425 ( 18.949 -0.000 -0.000) 18.949 3.104 ( -1.891 0.000 0.000) 1.891 3.382 ( -18.517 0.000 0.000) 18.517 3.499 ( 19.017 -0.000 -0.000) 19.017 3.540 ( -11.172 0.000 0.000) 11.172 3.604 ( -5.162 0.000 0.000) 5.162 4.083 ( -4.144 0.000 0.000) 4.144 4.433 ( 3.332 -0.000 -0.000) 3.332 4.448 ( 10.422 -0.000 -0.000) 10.422 4.572 ( -5.354 0.000 0.000) 5.354 4.892 ( -2.067 0.000 0.000) 2.067 5.385 ( 11.335 -0.000 -0.000) 11.335 5.437 ( -0.918 0.000 0.000) 0.918 5.451 ( -6.552 0.000 0.000) 6.552 5.725 ( -4.138 0.000 0.000) 4.138 5.791 ( 3.949 -0.000 -0.000) 3.949 6.481 ( 7.277 -0.000 -0.000) 7.277 6.554 ( -2.038 0.000 0.000) 2.038 6.565 ( -5.715 0.000 0.000) 5.715 6.939 ( -4.794 0.000 0.000) 4.794 7.139 ( 0.339 -0.000 -0.000) 0.339 7.401 ( -14.466 0.000 0.000) 14.466 8.157 ( -5.069 0.000 0.000) 5.069 18.948 ( 0.708 -0.000 -0.000) 0.708 18.983 ( 1.260 -0.000 -0.000) 1.260 19.002 ( 0.033 -0.000 -0.000) 0.033 19.011 ( 1.482 -0.000 -0.000) 1.482 19.255 ( -0.012 0.000 0.000) 0.012 19.312 ( -0.884 0.000 0.000) 0.884 19.350 ( -1.261 0.000 0.000) 1.261 19.366 ( -0.280 0.000 0.000) 0.280 42.341 ( 1.228 -0.000 -0.000) 1.228 42.375 ( 0.583 -0.000 -0.000) 0.583 42.407 ( -0.572 0.000 0.000) 0.572 42.409 ( -0.342 0.000 0.000) 0.342 66.006 ( 10.746 -0.000 -0.000) 10.746 66.461 ( -8.060 0.000 0.000) 8.060 67.317 ( -4.490 0.000 0.000) 4.490 69.084 ( -4.605 0.000 0.000) 4.605 ======================= Grid point 233 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -0.000 14.006 13.623) 19.539 1.264 ( -0.000 23.304 10.637) 25.617 2.227 ( -0.000 37.162 17.718) 41.170 2.309 ( -0.000 16.543 6.685) 17.842 2.598 ( -0.000 19.653 12.917) 23.518 2.939 ( 0.000 -1.506 -12.753) 12.842 3.426 ( 0.000 -7.138 -10.778) 12.927 4.094 ( -0.000 4.213 3.406) 5.418 4.115 ( -0.000 -6.571 2.002) 6.869 4.284 ( 0.000 5.799 -5.812) 8.210 4.511 ( -0.000 0.467 8.204) 8.217 4.697 ( -0.000 -3.048 6.351) 7.044 4.875 ( -0.000 -7.178 1.760) 7.390 5.253 ( 0.000 -3.445 -4.031) 5.303 5.261 ( 0.000 -3.918 -5.702) 6.919 5.437 ( 0.000 -2.284 -1.847) 2.937 5.512 ( 0.000 -3.358 -1.442) 3.654 5.532 ( 0.000 -4.542 -2.300) 5.091 5.580 ( -0.000 6.748 2.833) 7.319 5.963 ( 0.000 3.754 -4.794) 6.089 6.061 ( 0.000 4.076 -5.909) 7.178 6.666 ( 0.000 2.050 -12.990) 13.151 6.937 ( -0.000 0.233 8.621) 8.624 7.003 ( -0.000 -9.027 6.740) 11.266 7.854 ( -0.000 -3.105 -0.377) 3.128 8.196 ( 0.000 -10.406 -4.379) 11.290 18.940 ( -0.000 0.518 0.893) 1.033 18.971 ( 0.000 2.763 0.423) 2.795 18.996 ( 0.000 1.084 0.025) 1.084 19.074 ( 0.000 0.468 -0.676) 0.822 19.277 ( -0.000 0.263 0.293) 0.394 19.332 ( 0.000 -0.888 -0.414) 0.980 19.337 ( -0.000 -1.900 0.214) 1.912 19.370 ( -0.000 -1.375 -0.225) 1.394 42.333 ( -0.000 0.711 0.233) 0.748 42.347 ( 0.000 0.679 0.007) 0.679 42.427 ( -0.000 -0.647 0.140) 0.662 42.441 ( 0.000 -0.706 -0.365) 0.795 65.830 ( -0.000 8.038 4.351) 9.140 66.684 ( 0.000 3.069 -10.481) 10.921 67.275 ( -0.000 2.111 6.004) 6.365 68.069 ( 0.000 10.285 -19.247) 21.823 ======================= Grid point 234 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -5.768 11.086 10.792) 16.512 1.683 ( -13.122 18.390 11.000) 25.127 2.459 ( 2.452 13.101 3.468) 13.772 2.766 ( -9.175 28.847 12.157) 32.621 2.812 ( 1.238 5.153 -7.505) 9.187 2.935 ( -4.895 15.229 8.883) 18.298 3.290 ( -8.529 -12.719 -10.686) 18.674 3.957 ( 12.673 -2.933 2.766) 13.299 4.214 ( 0.267 2.560 6.386) 6.885 4.259 ( 3.712 4.631 -6.406) 8.733 4.577 ( 1.152 -0.545 4.827) 4.992 4.705 ( 0.410 -1.158 5.391) 5.529 4.848 ( -2.354 -7.638 2.992) 8.534 4.963 ( 8.361 2.358 -0.665) 8.713 5.209 ( 4.555 -5.742 -5.882) 9.398 5.390 ( 0.653 -4.834 -4.036) 6.331 5.415 ( 6.433 -3.195 -1.963) 7.446 5.570 ( -6.486 1.627 -0.539) 6.709 5.729 ( -3.604 5.329 -0.365) 6.444 6.059 ( -3.476 5.750 -5.189) 8.490 6.084 ( -13.976 -3.016 -5.802) 15.430 6.579 ( -0.536 1.220 -11.007) 11.087 6.968 ( 1.743 -5.468 8.089) 9.919 7.014 ( -0.769 -4.058 6.695) 7.867 7.703 ( 12.181 -4.918 -1.125) 13.185 8.072 ( -0.232 -9.386 -3.573) 10.046 18.954 ( -0.090 0.550 1.020) 1.163 18.988 ( 1.186 2.884 0.275) 3.130 19.005 ( 0.018 0.029 0.400) 0.401 19.088 ( -1.203 2.508 -0.820) 2.900 19.278 ( 0.264 0.042 0.128) 0.296 19.303 ( 1.429 -2.462 0.101) 2.849 19.321 ( 0.204 -0.913 -0.414) 1.023 19.366 ( -0.976 -1.431 -0.129) 1.737 42.323 ( 0.459 -0.213 0.357) 0.619 42.365 ( 3.867 -1.457 0.342) 4.147 42.393 ( -2.835 1.544 -0.071) 3.229 42.478 ( -2.586 0.707 -0.954) 2.846 65.944 ( -0.079 8.465 4.103) 9.407 66.673 ( -5.896 2.202 -9.519) 11.411 67.247 ( 9.484 1.979 1.886) 9.870 68.150 ( -16.418 2.515 -11.505) 20.205 ======================= Grid point 235 (99/171) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -8.089 7.553 7.980) 13.644 2.089 ( -5.701 15.178 8.380) 18.250 2.481 ( -3.229 -3.787 -2.800) 5.710 2.793 ( 5.578 10.990 0.477) 12.333 3.115 ( -2.734 7.697 -3.309) 8.813 3.166 ( 0.795 16.380 7.111) 17.875 3.420 ( -17.588 -0.813 0.253) 17.608 3.718 ( 15.457 -0.585 3.066) 15.769 4.118 ( 8.382 1.080 -0.758) 8.485 4.243 ( -0.602 -5.361 5.074) 7.406 4.553 ( 2.243 -0.317 -1.945) 2.986 4.762 ( 1.155 -1.189 4.102) 4.424 4.866 ( -4.177 -2.680 1.477) 5.178 4.981 ( -2.602 -1.681 -0.008) 3.098 5.053 ( 2.605 1.732 -3.163) 4.448 5.233 ( 10.534 1.396 0.748) 10.653 5.340 ( -2.682 -3.870 -3.103) 5.639 5.645 ( -2.822 0.104 -4.190) 5.053 5.832 ( -2.365 8.945 2.204) 9.511 6.083 ( -3.107 -3.314 -2.980) 5.433 6.258 ( -13.373 0.436 -7.500) 15.339 6.525 ( -1.452 0.604 -7.505) 7.668 6.956 ( 1.234 -6.394 6.773) 9.396 7.031 ( 1.672 -3.438 5.355) 6.580 7.418 ( 11.546 -6.886 -3.500) 13.892 7.984 ( 1.018 -4.852 -0.687) 5.005 18.968 ( -0.019 0.505 0.941) 1.068 18.991 ( 1.494 2.556 0.166) 2.965 19.005 ( 0.139 -0.168 0.274) 0.351 19.136 ( -1.809 3.670 -0.543) 4.128 19.246 ( 1.786 -3.445 0.054) 3.881 19.279 ( 0.466 0.216 0.061) 0.517 19.307 ( 0.190 -0.678 -0.472) 0.848 19.370 ( -1.063 -1.504 -0.026) 1.842 42.295 ( 2.639 -0.720 0.402) 2.765 42.334 ( -1.204 -1.019 0.613) 1.692 42.443 ( -1.281 1.682 -0.260) 2.130 42.508 ( -0.991 1.271 -1.445) 2.165 66.032 ( 0.922 6.843 2.109) 7.220 66.747 ( -8.763 2.084 -6.395) 11.047 67.076 ( 10.836 -0.043 -2.446) 11.109 68.376 ( -16.978 -1.117 -3.571) 17.386 ======================= Grid point 236 (100/171) ======================= q-point: ( 0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -7.117 4.834 5.243) 10.075 2.217 ( -0.261 2.634 -2.729) 3.801 2.571 ( -3.070 4.010 7.689) 9.199 2.770 ( 11.470 8.678 6.169) 15.650 3.126 ( -2.362 3.512 -8.770) 9.738 3.206 ( 15.366 7.950 6.487) 18.477 3.438 ( 5.325 5.457 -11.010) 13.392 3.740 ( -8.585 -6.593 6.024) 12.388 4.065 ( 1.313 1.582 1.126) 2.344 4.245 ( 0.764 -11.730 7.185) 13.777 4.523 ( -1.145 2.813 -0.990) 3.194 4.641 ( 10.576 -2.838 -3.799) 11.591 4.831 ( -4.032 -0.766 -1.321) 4.311 5.015 ( 7.309 6.638 2.773) 10.256 5.109 ( -6.692 0.848 -0.492) 6.763 5.209 ( -2.292 -0.265 0.896) 2.475 5.355 ( -2.940 0.395 -0.616) 3.030 5.608 ( -0.357 -3.250 -4.454) 5.526 5.979 ( 1.001 9.954 3.837) 10.715 6.059 ( -7.109 -8.337 -3.226) 11.421 6.426 ( -9.830 6.589 -4.693) 12.730 6.496 ( -1.399 -2.146 -2.746) 3.755 6.924 ( 1.630 -6.428 3.576) 7.534 6.971 ( 5.753 -1.914 1.948) 6.368 7.221 ( 0.760 -7.313 -3.129) 7.990 7.954 ( 0.391 -0.233 1.804) 1.860 18.977 ( 0.249 0.148 0.557) 0.627 18.989 ( 1.308 2.079 0.222) 2.466 19.004 ( 0.291 0.508 0.088) 0.592 19.182 ( 1.921 -3.771 0.111) 4.233 19.196 ( -1.767 3.650 -0.329) 4.069 19.273 ( 0.468 0.027 -0.174) 0.500 19.298 ( -0.089 -0.295 -0.256) 0.400 19.373 ( -0.940 -1.597 0.026) 1.853 42.276 ( -0.034 0.747 0.343) 0.823 42.359 ( -2.358 -1.628 0.505) 2.909 42.451 ( 1.680 1.412 -0.317) 2.217 42.505 ( 0.893 0.615 -1.156) 1.585 66.077 ( 0.986 5.821 0.366) 5.916 66.784 ( 3.137 -12.231 1.285) 12.692 66.957 ( -2.940 10.940 -8.579) 14.210 68.606 ( -13.365 -1.352 1.161) 13.483 ======================= Grid point 237 (101/171) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 9.251 0.685 -2.287) 9.554 2.248 ( -5.334 -2.012 1.853) 5.994 2.667 ( 9.420 12.570 6.403) 16.963 2.717 ( 9.788 4.854 10.889) 15.425 3.048 ( 9.899 2.995 3.281) 10.850 3.134 ( -1.992 7.849 -10.656) 13.384 3.329 ( -3.086 -1.471 -14.023) 14.434 3.756 ( 2.042 -8.790 3.228) 9.584 3.988 ( 13.646 -2.105 -1.059) 13.848 4.123 ( -0.131 -14.964 7.860) 16.904 4.472 ( 2.313 1.660 -6.693) 7.274 4.616 ( -0.917 4.048 5.268) 6.706 4.914 ( 1.705 -1.032 1.146) 2.299 4.963 ( 8.369 -2.993 1.510) 9.016 5.174 ( -0.600 3.249 -0.788) 3.396 5.225 ( -9.466 6.901 -2.999) 12.092 5.425 ( -1.736 3.176 -1.279) 3.839 5.597 ( -6.111 -5.383 -0.528) 8.161 5.954 ( 3.969 -1.298 -0.051) 4.177 6.206 ( -8.923 3.212 1.845) 9.661 6.474 ( -1.334 -2.483 1.133) 3.038 6.627 ( -8.064 6.875 -1.097) 10.654 6.828 ( 1.149 -7.036 -4.220) 8.285 6.955 ( -2.532 2.397 2.481) 4.280 7.166 ( -2.129 -6.217 -1.149) 6.671 7.994 ( -1.595 2.138 2.614) 3.735 18.972 ( 0.599 -0.056 0.061) 0.605 18.990 ( 1.221 2.144 0.356) 2.493 19.004 ( 0.292 0.513 -0.058) 0.593 19.117 ( 1.910 -3.891 0.091) 4.335 19.253 ( -1.633 3.098 -0.157) 3.506 19.263 ( 0.324 -0.058 -0.224) 0.398 19.300 ( -0.405 0.183 -0.066) 0.449 19.373 ( -0.753 -1.691 0.041) 1.851 42.311 ( -2.353 1.790 0.141) 2.960 42.385 ( -2.261 -1.873 0.214) 2.944 42.414 ( 3.833 1.517 -0.182) 4.127 42.471 ( 2.049 -1.092 -0.447) 2.364 66.121 ( 0.950 7.582 -0.045) 7.642 66.573 ( 5.897 -15.069 0.488) 16.189 67.090 ( -7.160 8.702 -5.590) 12.579 68.807 ( -9.753 -0.223 3.066) 10.225 ======================= Grid point 238 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 19.968 -1.689 -3.244) 20.300 2.248 ( 8.156 -0.594 1.561) 8.325 2.567 ( 16.570 8.758 0.605) 18.752 2.674 ( 13.092 1.202 8.315) 15.556 3.088 ( -8.668 1.375 5.335) 10.270 3.115 ( -1.829 2.283 -9.683) 10.116 3.343 ( -12.472 0.792 -9.742) 15.846 3.648 ( 7.962 -3.264 4.969) 9.937 3.730 ( 8.003 -3.657 -4.042) 9.683 4.078 ( -1.878 -12.743 4.399) 13.611 4.447 ( -1.562 1.908 -3.765) 4.500 4.624 ( 10.778 2.564 5.406) 12.328 4.691 ( 14.402 -4.382 -1.452) 15.123 4.861 ( -1.490 -1.666 -1.661) 2.785 5.297 ( -6.475 3.995 1.925) 7.848 5.434 ( -3.200 6.371 -0.378) 7.139 5.445 ( -0.816 2.172 -1.123) 2.578 5.655 ( -5.657 -3.610 -0.379) 6.721 5.862 ( 4.730 -1.557 0.046) 4.980 6.390 ( -5.290 6.248 3.598) 8.942 6.504 ( -2.783 -3.103 2.926) 5.093 6.661 ( 2.954 -5.173 -4.279) 7.334 6.831 ( -7.401 3.782 -2.831) 8.780 7.131 ( -9.501 1.869 1.975) 9.882 7.151 ( -5.016 -2.307 -0.679) 5.563 8.073 ( -3.283 1.867 1.660) 4.126 18.960 ( 0.712 -0.050 -0.066) 0.716 18.990 ( 1.373 2.296 0.210) 2.684 19.003 ( 0.163 0.113 -0.053) 0.205 19.056 ( 1.685 -3.284 -0.024) 3.692 19.257 ( 0.151 -0.103 -0.086) 0.202 19.294 ( -1.079 0.850 -0.040) 1.374 19.318 ( -1.028 1.765 -0.025) 2.043 19.369 ( -0.556 -1.665 0.027) 1.756 42.364 ( 3.185 2.286 0.075) 3.921 42.371 ( -2.096 1.693 -0.104) 2.696 42.402 ( -1.416 -1.538 0.029) 2.091 42.418 ( 1.943 -2.809 0.021) 3.416 66.143 ( 7.318 8.038 -0.009) 10.870 66.403 ( -2.696 -12.897 0.358) 13.180 67.222 ( -6.004 4.660 -2.752) 8.083 68.971 ( -6.909 0.717 2.750) 7.470 ======================= Grid point 244 (103/171) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -0.000 5.929 17.967) 18.920 1.481 ( -0.000 17.778 14.573) 22.988 2.371 ( 0.000 18.506 -0.007) 18.506 2.534 ( -0.000 25.958 16.467) 30.741 2.691 ( 0.000 3.356 -15.151) 15.518 2.878 ( -0.000 15.040 18.696) 23.994 3.248 ( 0.000 -13.087 -9.190) 15.991 4.107 ( 0.000 5.567 -7.837) 9.613 4.139 ( 0.000 12.589 1.761) 12.712 4.164 ( 0.000 1.590 -2.807) 3.226 4.656 ( -0.000 -1.610 7.663) 7.830 4.789 ( -0.000 -2.653 4.480) 5.207 4.901 ( -0.000 -8.774 1.036) 8.835 5.151 ( 0.000 -4.498 -6.849) 8.194 5.217 ( -0.000 -7.437 0.148) 7.438 5.395 ( 0.000 -4.076 -2.734) 4.908 5.483 ( 0.000 -2.127 -2.125) 3.006 5.487 ( 0.000 -3.709 -2.868) 4.689 5.636 ( -0.000 8.491 3.501) 9.184 5.877 ( 0.000 3.756 -5.023) 6.272 5.986 ( 0.000 1.979 -2.309) 3.041 6.446 ( 0.000 3.637 -12.383) 12.906 7.076 ( -0.000 0.518 7.264) 7.282 7.115 ( -0.000 -7.610 5.958) 9.664 7.857 ( -0.000 -4.336 0.717) 4.395 8.110 ( 0.000 -10.609 -5.460) 11.931 18.957 ( -0.000 0.783 1.037) 1.300 18.980 ( -0.000 2.454 0.688) 2.548 18.995 ( 0.000 1.813 -0.156) 1.819 19.059 ( 0.000 0.253 -1.020) 1.051 19.283 ( -0.000 -0.175 0.462) 0.494 19.324 ( 0.000 -0.892 -0.553) 1.049 19.342 ( -0.000 -1.813 0.294) 1.837 19.365 ( -0.000 -1.434 -0.306) 1.466 42.337 ( -0.000 0.737 0.266) 0.784 42.347 ( 0.000 0.700 -0.005) 0.700 42.429 ( -0.000 -0.658 0.141) 0.673 42.437 ( -0.000 -0.819 -0.179) 0.839 65.918 ( -0.000 7.605 5.910) 9.632 66.504 ( 0.000 4.070 -10.482) 11.245 67.368 ( -0.000 1.888 4.952) 5.299 67.801 ( 0.000 9.780 -12.319) 15.729 ======================= Grid point 245 (104/171) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -3.759 4.707 13.287) 14.589 1.898 ( -12.692 13.486 13.752) 23.067 2.408 ( 0.395 1.690 -9.363) 9.523 2.672 ( -4.876 12.193 -7.886) 15.318 2.956 ( -7.150 22.478 8.487) 25.068 3.061 ( -0.532 -2.118 -0.696) 2.292 3.251 ( -6.576 7.018 12.230) 15.559 3.982 ( 13.599 4.203 -0.614) 14.247 4.105 ( 3.627 8.144 -10.154) 13.512 4.312 ( -0.915 5.806 4.729) 7.544 4.667 ( 3.846 -6.741 4.725) 9.086 4.792 ( -0.174 -1.678 5.064) 5.338 4.872 ( -6.413 -7.087 -0.442) 9.568 4.977 ( 4.757 -3.229 1.794) 6.023 5.111 ( 5.655 -5.196 -4.951) 9.137 5.320 ( -0.387 -5.418 -3.784) 6.620 5.389 ( 6.458 -1.636 -1.031) 6.741 5.529 ( -5.871 0.371 -3.800) 7.003 5.746 ( -0.873 8.116 1.748) 8.347 5.971 ( -9.580 5.091 -5.076) 11.977 6.027 ( -5.258 -1.944 -0.264) 5.612 6.393 ( -2.161 3.182 -10.391) 11.080 7.090 ( 1.104 -6.508 5.974) 8.903 7.121 ( 0.523 -2.422 5.419) 5.958 7.680 ( 13.167 -7.944 -1.456) 15.446 8.012 ( -2.098 -7.413 -3.220) 8.350 18.972 ( 0.046 0.682 1.069) 1.269 18.993 ( 1.254 2.595 0.279) 2.895 19.010 ( 0.103 0.364 0.082) 0.387 19.074 ( -1.491 2.675 -0.783) 3.161 19.282 ( 0.325 -0.516 0.277) 0.670 19.304 ( 1.002 -1.939 -0.105) 2.185 19.315 ( 0.719 -1.193 -0.291) 1.423 19.364 ( -1.158 -1.478 -0.113) 1.881 42.329 ( 0.339 -0.147 0.310) 0.483 42.370 ( 3.631 -1.323 0.285) 3.875 42.392 ( -2.697 1.452 -0.055) 3.064 42.465 ( -1.722 0.635 -0.594) 1.929 66.023 ( 1.549 7.122 5.011) 8.845 66.511 ( -6.163 5.341 -9.102) 12.221 67.270 ( 12.086 -0.564 0.886) 12.132 67.998 ( -20.564 4.746 -6.290) 22.022 ======================= Grid point 246 (105/171) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -7.103 2.127 9.208) 11.822 2.145 ( -0.252 5.138 -3.738) 6.359 2.485 ( -12.091 1.509 6.186) 13.665 2.803 ( -2.185 12.950 -3.187) 13.515 3.033 ( 0.028 -2.300 -1.284) 2.634 3.235 ( -2.009 13.578 -2.276) 13.913 3.501 ( 3.828 7.731 10.033) 13.232 3.776 ( 10.217 1.587 3.100) 10.795 4.019 ( 3.104 9.239 -9.054) 13.303 4.365 ( -0.469 -2.670 7.641) 8.108 4.558 ( 3.264 -7.860 1.600) 8.660 4.818 ( 5.199 -3.473 1.932) 6.544 4.826 ( 2.904 -7.363 -4.234) 8.976 4.983 ( -6.360 1.107 -0.900) 6.518 5.030 ( -3.453 -0.517 0.770) 3.575 5.257 ( 6.664 0.993 1.668) 6.941 5.305 ( -1.601 0.288 -0.466) 1.692 5.553 ( -2.264 0.165 -5.904) 6.326 5.872 ( -5.069 6.249 1.851) 8.257 6.058 ( -1.615 -4.527 0.007) 4.807 6.153 ( -10.768 6.791 -4.270) 13.428 6.402 ( -4.263 2.568 -6.208) 7.956 7.053 ( 1.991 -6.872 4.345) 8.370 7.121 ( 1.705 -4.414 4.820) 6.754 7.349 ( 12.288 -9.479 -4.251) 16.091 7.973 ( -0.239 -2.366 -0.554) 2.442 18.984 ( 0.206 0.477 0.844) 0.992 18.993 ( 1.530 2.492 0.117) 2.926 19.006 ( 0.178 0.004 -0.116) 0.213 19.128 ( -1.946 3.785 -0.341) 4.270 19.246 ( 1.733 -3.411 0.036) 3.826 19.281 ( 0.605 -0.176 0.160) 0.650 19.299 ( 0.080 -0.555 -0.416) 0.698 19.369 ( -1.129 -1.511 -0.014) 1.886 42.301 ( 2.608 -0.610 0.266) 2.691 42.343 ( -1.225 -0.942 0.397) 1.595 42.440 ( -1.224 1.479 -0.175) 1.928 42.488 ( -0.618 1.385 -0.805) 1.717 66.068 ( 2.421 4.833 1.910) 5.733 66.638 ( -9.033 8.419 -5.460) 13.502 67.053 ( 10.441 -6.155 -0.551) 12.133 68.332 ( -19.383 1.974 -1.659) 19.554 ======================= Grid point 247 (106/171) ======================= q-point: ( 0.80 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -3.267 1.498 5.156) 6.285 2.141 ( -6.379 -2.154 -5.056) 8.420 2.707 ( 5.087 17.827 7.176) 19.879 2.923 ( -5.227 0.631 3.532) 6.340 2.980 ( 5.039 0.910 0.715) 5.170 3.209 ( 4.538 4.996 -13.673) 15.248 3.307 ( 22.020 5.795 3.100) 22.980 3.833 ( -6.335 -8.177 3.659) 10.972 4.057 ( 0.951 11.236 -1.444) 11.368 4.356 ( 2.619 -15.105 5.355) 16.239 4.511 ( 0.156 -2.691 -2.558) 3.716 4.602 ( 9.905 1.396 0.609) 10.021 4.794 ( -7.645 3.048 -2.090) 8.492 5.084 ( -0.991 2.442 2.607) 3.707 5.095 ( -3.793 -2.957 0.738) 4.866 5.199 ( 5.971 1.098 -1.753) 6.319 5.350 ( -2.545 3.167 -0.029) 4.063 5.542 ( -3.804 -3.244 -2.489) 5.585 6.014 ( -2.770 -8.711 -0.908) 9.186 6.041 ( -4.527 8.296 1.849) 9.630 6.369 ( -8.749 9.986 -1.884) 13.409 6.453 ( -4.586 0.921 -1.629) 4.953 6.960 ( 3.821 -12.929 1.158) 13.531 7.012 ( 8.210 -0.467 1.658) 8.389 7.175 ( -2.212 -6.736 -1.789) 7.312 7.974 ( -0.491 1.360 0.610) 1.569 18.983 ( 0.630 -0.018 0.187) 0.657 18.993 ( 1.335 2.506 0.222) 2.848 19.004 ( 0.165 0.290 -0.076) 0.342 19.184 ( 1.933 -3.829 0.052) 4.290 19.192 ( -1.866 3.759 -0.136) 4.199 19.271 ( 0.511 -0.225 -0.063) 0.562 19.295 ( -0.206 -0.192 -0.105) 0.301 19.373 ( -0.957 -1.578 0.012) 1.846 42.280 ( 0.070 0.803 0.136) 0.817 42.365 ( -2.249 -1.614 0.204) 2.776 42.447 ( 1.580 1.238 -0.125) 2.012 42.492 ( 0.779 0.787 -0.428) 1.187 66.083 ( 1.341 4.773 0.229) 4.963 66.805 ( 3.195 -8.867 1.262) 9.509 66.847 ( -3.680 6.978 -4.037) 8.862 68.619 ( -14.734 0.743 0.416) 14.759 ======================= Grid point 248 (107/171) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 11.518 -1.023 -0.000) 11.563 2.266 ( -8.229 -2.492 0.000) 8.598 2.740 ( 16.622 20.898 -0.000) 26.702 2.885 ( 13.716 7.396 -0.000) 15.583 2.983 ( -2.090 2.893 0.000) 3.569 3.094 ( 8.753 1.858 -0.000) 8.949 3.150 ( -10.546 -7.903 0.000) 13.179 3.801 ( 1.897 -8.323 0.000) 8.536 3.966 ( 16.081 -0.700 -0.000) 16.096 4.217 ( -0.015 -16.512 0.000) 16.512 4.389 ( 1.511 3.522 -0.000) 3.833 4.673 ( -1.847 7.571 -0.000) 7.793 4.915 ( 3.325 -7.853 -0.000) 8.528 4.987 ( 11.379 -4.680 -0.000) 12.304 5.176 ( -7.985 15.521 0.000) 17.455 5.182 ( -5.952 0.420 0.000) 5.967 5.413 ( -1.425 2.760 0.000) 3.106 5.592 ( -6.891 -5.043 0.000) 8.539 5.953 ( 3.178 -3.006 -0.000) 4.375 6.225 ( -9.682 3.335 0.000) 10.240 6.481 ( -1.313 3.194 0.000) 3.453 6.623 ( -9.787 6.842 0.000) 11.941 6.785 ( 3.399 -11.388 0.000) 11.885 6.979 ( -2.681 2.049 0.000) 3.374 7.155 ( -2.243 -5.790 0.000) 6.209 8.017 ( -1.869 2.677 0.000) 3.264 18.972 ( 0.720 -0.050 -0.000) 0.722 18.993 ( 1.439 2.554 -0.000) 2.931 19.003 ( 0.113 0.120 -0.000) 0.165 19.118 ( 1.916 -3.901 -0.000) 4.346 19.252 ( -1.690 3.173 0.000) 3.595 19.261 ( 0.327 -0.188 -0.000) 0.378 19.299 ( -0.453 0.188 0.000) 0.491 19.373 ( -0.749 -1.668 0.000) 1.829 42.313 ( -2.274 1.798 0.000) 2.898 42.387 ( -2.155 -1.883 0.000) 2.861 42.412 ( 3.763 1.465 -0.000) 4.038 42.467 ( 1.808 -1.024 -0.000) 2.078 66.120 ( 0.882 7.426 -0.000) 7.478 66.577 ( 5.864 -15.292 -0.000) 16.378 67.041 ( -7.535 8.283 0.000) 11.197 68.833 ( -10.451 0.636 0.000) 10.471 ======================= Grid point 255 (108/171) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -0.000 2.538 18.975) 19.144 1.754 ( -0.000 12.380 17.133) 21.137 2.291 ( -0.000 13.427 -9.443) 16.415 2.384 ( -0.000 4.557 -18.001) 18.569 2.813 ( -0.000 17.096 13.101) 21.539 3.079 ( -0.000 -5.629 -3.193) 6.471 3.258 ( -0.000 9.569 17.598) 20.031 3.886 ( -0.000 9.771 -15.689) 18.483 4.154 ( 0.000 16.613 0.156) 16.614 4.155 ( 0.000 6.874 -0.257) 6.879 4.762 ( -0.000 -2.823 4.958) 5.706 4.866 ( 0.000 -4.615 4.855) 6.699 4.898 ( -0.000 -10.315 -1.745) 10.462 5.038 ( 0.000 -3.761 -6.004) 7.085 5.251 ( -0.000 -9.386 3.305) 9.951 5.352 ( -0.000 -6.559 -2.251) 6.935 5.440 ( 0.000 -2.232 -2.394) 3.273 5.441 ( -0.000 -0.721 -2.472) 2.574 5.692 ( 0.000 8.337 2.880) 8.821 5.798 ( 0.000 4.571 -4.096) 6.138 5.993 ( -0.000 1.128 3.239) 3.430 6.249 ( -0.000 3.416 -10.523) 11.064 7.177 ( -0.000 -0.161 4.394) 4.397 7.196 ( -0.000 -4.974 3.275) 5.956 7.881 ( 0.000 -6.578 2.204) 6.937 8.016 ( 0.000 -10.290 -5.354) 11.600 18.973 ( -0.000 1.519 0.778) 1.707 18.991 ( 0.000 2.107 -0.329) 2.132 18.995 ( 0.000 1.610 1.121) 1.962 19.039 ( 0.000 0.455 -1.261) 1.340 19.292 ( -0.000 -0.537 0.575) 0.787 19.313 ( -0.000 -0.862 -0.625) 1.064 19.347 ( 0.000 -1.712 0.347) 1.747 19.360 ( 0.000 -1.514 -0.355) 1.555 42.341 ( -0.000 0.751 0.229) 0.785 42.346 ( -0.000 0.725 -0.057) 0.727 42.431 ( -0.000 -0.699 0.112) 0.708 42.434 ( -0.000 -0.830 -0.090) 0.835 66.031 ( 0.000 6.890 7.389) 10.103 66.329 ( 0.000 5.013 -9.864) 11.065 67.448 ( 0.000 2.457 4.541) 5.163 67.635 ( 0.000 6.626 -7.537) 10.035 ======================= Grid point 256 (109/171) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -0.366 0.830 13.239) 13.270 2.076 ( 1.491 7.442 -0.780) 7.630 2.274 ( -15.675 0.655 3.099) 15.991 2.484 ( -13.316 9.447 -13.775) 21.361 3.010 ( -1.392 4.577 0.450) 4.805 3.097 ( -1.955 11.370 2.931) 11.904 3.528 ( -0.506 11.697 16.930) 20.585 3.834 ( 0.629 11.215 -14.507) 18.347 4.028 ( 17.581 10.060 -0.293) 20.258 4.373 ( -3.170 8.188 2.114) 9.031 4.720 ( 2.761 -10.868 1.414) 11.302 4.838 ( -5.173 -3.838 -0.798) 6.491 4.897 ( -3.126 -5.180 4.921) 7.799 4.977 ( -1.278 -5.881 -2.502) 6.518 5.059 ( 10.784 -7.048 -1.078) 12.928 5.275 ( -0.711 -4.850 -1.260) 5.061 5.387 ( 4.582 0.469 0.771) 4.670 5.462 ( -2.447 0.618 -3.300) 4.155 5.770 ( -2.140 5.383 0.759) 5.842 5.907 ( -7.999 7.130 -2.077) 10.914 6.063 ( -1.628 -0.200 3.552) 3.912 6.238 ( -4.960 3.526 -6.923) 9.217 7.164 ( 1.730 -4.411 2.399) 5.310 7.187 ( -0.151 -3.644 2.022) 4.170 7.659 ( 14.263 -10.996 -0.808) 18.028 7.971 ( -3.314 -5.523 -1.306) 6.573 18.987 ( 0.571 1.662 0.523) 1.833 18.997 ( 0.579 1.319 0.306) 1.473 19.008 ( 0.607 0.501 -0.226) 0.819 19.063 ( -1.835 3.081 -0.367) 3.605 19.287 ( 0.494 -1.140 0.275) 1.273 19.299 ( 0.129 -0.895 -0.283) 0.948 19.312 ( 1.528 -1.818 -0.030) 2.375 19.362 ( -1.290 -1.508 -0.046) 1.985 42.333 ( 0.251 -0.107 0.125) 0.300 42.374 ( 3.487 -1.234 0.111) 3.700 42.392 ( -2.606 1.394 -0.021) 2.955 42.458 ( -1.239 0.560 -0.200) 1.374 66.104 ( 4.131 5.040 3.604) 7.447 66.381 ( -7.653 8.109 -5.125) 12.272 67.280 ( 13.284 -1.815 0.240) 13.410 67.930 ( -22.678 5.222 -1.895) 23.348 ======================= Grid point 257 (110/171) ======================= q-point: ( 0.80 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -7.332 -3.058 0.000) 7.945 2.038 ( 0.260 3.307 -0.000) 3.317 2.635 ( 0.677 22.130 -0.000) 22.140 2.676 ( -22.968 -9.710 0.000) 24.936 3.065 ( -0.959 3.021 -0.000) 3.170 3.180 ( 6.143 9.866 -0.000) 11.622 3.637 ( 15.385 7.653 -0.000) 17.183 3.806 ( 5.715 2.065 -0.000) 6.077 3.896 ( -2.482 15.094 -0.000) 15.297 4.454 ( -2.003 2.058 0.000) 2.872 4.564 ( 2.733 -14.434 0.000) 14.691 4.785 ( 6.792 -5.824 -0.000) 8.947 4.830 ( 8.376 -4.877 -0.000) 9.692 4.968 ( -8.786 -0.126 0.000) 8.786 5.044 ( -6.139 -1.988 0.000) 6.453 5.267 ( 0.122 0.545 -0.000) 0.558 5.321 ( 4.718 2.809 -0.000) 5.491 5.485 ( -2.706 0.355 0.000) 2.729 5.886 ( -7.437 1.762 0.000) 7.643 6.066 ( 1.200 -1.594 -0.000) 1.995 6.117 ( -9.541 9.571 0.000) 13.514 6.341 ( -6.212 2.701 0.000) 6.774 7.092 ( 3.114 -5.434 -0.000) 6.263 7.175 ( -2.271 -5.668 0.000) 6.106 7.299 ( 15.611 -11.084 -0.000) 19.146 7.968 ( -0.690 -1.400 0.000) 1.561 18.993 ( 0.940 1.981 -0.000) 2.192 18.995 ( 1.041 0.711 -0.000) 1.261 19.003 ( 0.048 0.313 -0.000) 0.316 19.125 ( -2.000 3.841 0.000) 4.330 19.247 ( 1.717 -3.404 -0.000) 3.812 19.283 ( 0.773 -0.434 -0.000) 0.887 19.294 ( -0.080 -0.403 0.000) 0.411 19.369 ( -1.156 -1.513 0.000) 1.904 42.304 ( 2.602 -0.567 -0.000) 2.663 42.346 ( -1.244 -0.915 0.000) 1.544 42.438 ( -1.196 1.398 0.000) 1.840 42.481 ( -0.475 1.417 -0.000) 1.494 66.087 ( 3.205 3.699 -0.000) 4.894 66.587 ( -9.069 10.476 0.000) 13.856 67.049 ( 9.963 -7.705 -0.000) 12.595 68.318 ( -20.142 2.919 0.000) 20.352 ======================= Grid point 263 (111/171) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 13.973 -0.000 10.232) 17.318 2.053 ( 8.011 -0.000 0.640) 8.036 2.282 ( 3.595 -0.000 2.449) 4.350 2.649 ( 1.533 -0.000 10.034) 10.150 2.844 ( -2.580 0.000 -9.942) 10.272 3.315 ( -1.579 -0.000 1.488) 2.170 3.459 ( 8.382 0.000 -4.789) 9.654 3.743 ( -6.227 0.000 -8.902) 10.864 3.895 ( 4.064 -0.000 10.848) 11.584 4.251 ( -7.123 -0.000 14.275) 15.953 4.321 ( -0.094 -0.000 0.693) 0.699 4.460 ( 1.168 0.000 -3.260) 3.463 4.700 ( 0.369 -0.000 3.263) 3.284 4.929 ( 0.476 -0.000 0.850) 0.974 5.235 ( -3.736 0.000 -3.173) 4.901 5.371 ( 2.182 0.000 -2.818) 3.564 5.516 ( 3.397 -0.000 0.234) 3.405 5.661 ( -0.556 0.000 -5.675) 5.702 5.774 ( 8.431 -0.000 3.224) 9.026 6.053 ( 4.711 0.000 -3.958) 6.153 6.500 ( -1.996 0.000 -1.456) 2.470 6.821 ( -3.348 0.000 -2.574) 4.223 7.027 ( -0.884 0.000 -1.824) 2.027 7.159 ( -0.737 0.000 -0.296) 0.795 7.336 ( -9.698 -0.000 7.084) 12.010 7.934 ( -6.688 0.000 -7.762) 10.245 18.963 ( 0.361 -0.000 0.329) 0.488 18.972 ( 0.929 0.000 -0.311) 0.980 18.987 ( 1.102 -0.000 0.378) 1.165 19.032 ( -0.066 0.000 -0.232) 0.241 19.266 ( 0.090 -0.000 0.524) 0.531 19.305 ( -0.512 0.000 -0.343) 0.616 19.355 ( -1.039 -0.000 0.148) 1.050 19.363 ( -0.508 0.000 -0.079) 0.514 42.338 ( 1.703 0.000 -0.088) 1.705 42.343 ( 1.664 0.000 -0.534) 1.748 42.416 ( -0.697 -0.000 0.178) 0.720 42.418 ( -0.851 -0.000 0.171) 0.868 66.058 ( 8.215 -0.000 2.485) 8.583 66.339 ( -3.074 0.000 -4.300) 5.286 67.639 ( 0.162 -0.000 11.059) 11.060 68.570 ( 5.654 0.000 -15.036) 16.064 ======================= Grid point 267 (112/171) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.000 4.541 -0.312) 4.552 2.020 ( 0.000 4.541 0.313) 4.552 2.102 ( 0.000 9.067 -2.227) 9.336 2.102 ( 0.000 9.067 2.226) 9.336 2.986 ( 0.000 3.966 -7.252) 8.266 2.986 ( -0.000 3.966 7.252) 8.266 3.587 ( 0.000 10.966 -18.938) 21.884 3.587 ( -0.000 10.966 18.938) 21.884 4.152 ( 0.000 14.486 -0.001) 14.486 4.152 ( 0.000 14.486 0.001) 14.486 4.841 ( 0.000 -7.889 -4.410) 9.038 4.841 ( -0.000 -7.889 4.410) 9.038 4.949 ( 0.000 -4.220 -4.758) 6.360 4.949 ( -0.000 -4.220 4.758) 6.360 5.310 ( -0.000 -9.047 -2.607) 9.415 5.310 ( -0.000 -9.047 2.607) 9.415 5.416 ( 0.000 -0.352 -0.000) 0.352 5.416 ( 0.000 -0.352 0.000) 0.352 5.739 ( 0.000 6.313 -2.640) 6.843 5.739 ( -0.000 6.313 2.640) 6.843 6.091 ( 0.000 2.263 -7.731) 8.056 6.091 ( -0.000 2.263 7.731) 8.056 7.220 ( 0.000 -2.087 -0.550) 2.158 7.220 ( -0.000 -2.087 0.550) 2.158 7.934 ( 0.000 -8.917 -3.385) 9.538 7.934 ( 0.000 -8.917 3.385) 9.538 18.984 ( 0.000 2.046 -0.459) 2.097 18.984 ( 0.000 2.046 0.459) 2.097 19.017 ( 0.000 0.871 -1.297) 1.563 19.017 ( -0.000 0.871 1.297) 1.563 19.303 ( 0.000 -0.759 -0.627) 0.984 19.303 ( -0.000 -0.759 0.627) 0.984 19.354 ( 0.000 -1.610 -0.234) 1.627 19.354 ( 0.000 -1.610 0.234) 1.627 42.345 ( 0.000 0.746 -0.038) 0.747 42.345 ( 0.000 0.746 0.038) 0.747 42.433 ( 0.000 -0.768 -0.010) 0.769 42.433 ( 0.000 -0.768 0.010) 0.769 66.170 ( 0.000 5.976 -8.534) 10.418 66.170 ( -0.000 5.976 8.534) 10.418 67.529 ( 0.000 3.996 -3.410) 5.253 67.529 ( 0.000 3.996 3.410) 5.253 ======================= Grid point 274 (113/171) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 14.673 7.717 2.589) 16.779 2.125 ( 4.111 5.961 2.323) 7.604 2.379 ( 1.202 -9.714 2.196) 10.031 2.665 ( -4.609 -2.901 0.795) 5.504 2.816 ( 5.695 3.045 -0.190) 6.461 3.203 ( -3.987 14.552 -3.425) 15.472 3.454 ( 3.644 -2.115 -12.869) 13.541 3.672 ( -3.355 -17.547 -5.687) 18.748 4.115 ( 2.553 1.408 16.087) 16.349 4.230 ( -4.611 0.158 14.985) 15.679 4.366 ( 6.835 1.592 -0.697) 7.052 4.579 ( 7.333 -3.545 0.648) 8.170 4.763 ( 5.876 0.168 -2.546) 6.406 4.917 ( -1.042 4.017 -2.382) 4.785 5.196 ( 1.720 -1.241 2.858) 3.559 5.396 ( 1.195 3.267 -2.101) 4.064 5.464 ( -3.852 2.448 -3.202) 5.575 5.585 ( -4.876 -3.853 -4.697) 7.790 5.929 ( 6.740 4.369 3.803) 8.887 6.130 ( 4.824 -5.596 -0.661) 7.417 6.427 ( -6.244 -1.948 -0.226) 6.545 6.682 ( -6.278 0.114 -7.905) 10.096 6.961 ( -3.550 6.625 2.269) 7.851 7.153 ( -2.967 -3.854 0.145) 4.866 7.271 ( -4.745 1.523 8.196) 9.592 7.781 ( -3.643 -1.538 -8.361) 9.249 18.967 ( 0.329 0.689 -0.015) 0.764 18.978 ( 0.420 0.405 0.088) 0.590 19.002 ( 0.530 0.999 -0.060) 1.132 19.051 ( 1.327 -3.029 -0.241) 3.316 19.274 ( 0.249 0.112 0.491) 0.562 19.296 ( -0.316 0.136 -0.140) 0.371 19.321 ( -1.022 2.714 0.045) 2.901 19.366 ( -0.726 -2.016 -0.030) 2.143 42.364 ( 2.325 2.252 0.152) 3.241 42.375 ( -1.042 1.894 -0.090) 2.164 42.402 ( -1.768 -1.658 0.065) 2.425 42.417 ( 3.475 -2.795 0.008) 4.460 66.151 ( 4.723 8.503 0.287) 9.731 66.355 ( 2.584 -12.006 -0.951) 12.318 67.680 ( -2.064 11.121 12.353) 16.749 68.523 ( -0.405 -7.448 -11.945) 14.082 ======================= Grid point 275 (114/171) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 10.512 0.000 6.621) 12.423 2.049 ( 5.804 -0.000 -1.378) 5.965 2.370 ( 1.011 -0.000 7.436) 7.504 2.679 ( 0.332 0.000 -9.499) 9.505 2.839 ( -2.158 0.000 12.187) 12.377 3.288 ( 0.969 0.000 -11.307) 11.348 3.377 ( -5.437 0.000 3.239) 6.329 3.595 ( -6.569 -0.000 -8.209) 10.514 4.104 ( 15.613 0.000 12.344) 19.903 4.363 ( -6.050 -0.000 3.961) 7.231 4.388 ( 11.244 0.000 -4.223) 12.011 4.451 ( -6.465 -0.000 6.080) 8.875 4.734 ( -4.247 0.000 2.490) 4.923 4.920 ( -2.068 -0.000 -2.534) 3.270 5.218 ( -1.480 0.000 1.183) 1.895 5.317 ( 3.066 0.000 -3.396) 4.575 5.496 ( 1.641 0.000 -1.766) 2.411 5.551 ( 0.703 -0.000 -6.047) 6.088 5.867 ( 8.384 -0.000 6.675) 10.717 6.013 ( 4.996 0.000 -1.651) 5.261 6.492 ( -1.004 0.000 0.940) 1.376 6.696 ( -2.738 -0.000 -9.681) 10.061 7.050 ( -0.225 0.000 3.183) 3.191 7.144 ( -0.914 -0.000 -1.608) 1.850 7.479 ( -8.819 -0.000 9.023) 12.618 7.791 ( -7.534 0.000 -8.843) 11.617 18.967 ( 0.517 -0.000 0.085) 0.524 18.969 ( 0.824 0.000 -0.128) 0.834 18.997 ( 0.675 -0.000 0.756) 1.013 19.024 ( 0.010 0.000 -0.653) 0.653 19.277 ( -0.008 -0.000 0.645) 0.645 19.298 ( -0.325 0.000 -0.513) 0.608 19.358 ( -0.906 -0.000 0.138) 0.916 19.361 ( -0.638 0.000 -0.086) 0.643 42.337 ( 1.907 -3.014 -0.145) 3.569 42.337 ( 1.906 3.014 -0.143) 3.569 42.418 ( -0.844 0.000 0.127) 0.854 42.420 ( -0.924 -0.000 0.061) 0.927 66.111 ( 6.106 -0.000 3.643) 7.110 66.260 ( 0.134 0.000 -4.744) 4.746 67.843 ( 2.919 -0.000 12.714) 13.045 68.315 ( 6.618 -0.000 -14.718) 16.138 ======================= Grid point 285 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -3.641 13.868 1.041) 14.376 2.123 ( 4.728 17.204 -3.449) 18.172 2.540 ( 2.946 -8.613 6.778) 11.349 2.743 ( 3.677 -10.555 3.329) 11.662 2.876 ( 7.297 3.801 -4.968) 9.611 2.984 ( 0.266 15.220 -3.635) 15.651 3.409 ( 1.274 -5.857 -10.263) 11.885 3.762 ( -3.993 -19.045 -4.687) 20.016 4.130 ( -7.117 10.351 8.859) 15.371 4.358 ( 0.435 -1.508 14.625) 14.709 4.525 ( 14.264 3.339 2.591) 14.877 4.705 ( 2.371 -2.745 1.034) 3.771 4.806 ( 1.403 8.160 -3.909) 9.156 4.853 ( 6.005 -2.054 -4.503) 7.782 5.176 ( -8.695 6.570 -2.023) 11.084 5.264 ( -7.492 1.779 -0.777) 7.739 5.404 ( -1.567 -2.299 -0.686) 2.865 5.591 ( 4.325 -6.283 -0.945) 7.686 5.960 ( 1.816 8.776 0.865) 9.003 6.264 ( 1.156 -5.407 4.644) 7.221 6.393 ( -0.747 -9.112 -0.240) 9.146 6.551 ( -1.715 -2.688 -8.012) 8.623 6.843 ( -6.163 6.015 2.560) 8.984 7.117 ( -5.439 -2.640 1.696) 6.280 7.283 ( 1.184 3.223 4.090) 5.340 7.728 ( 0.882 -6.528 -5.530) 8.601 18.962 ( -0.010 0.757 -0.169) 0.776 18.981 ( 0.134 0.099 0.105) 0.197 18.996 ( 0.621 1.713 -0.255) 1.840 19.109 ( 1.956 -3.933 -0.117) 4.394 19.265 ( -1.288 2.799 0.168) 3.085 19.283 ( 0.201 0.997 0.358) 1.078 19.300 ( 0.174 -0.149 -0.123) 0.260 19.371 ( -0.812 -1.892 -0.013) 2.059 42.301 ( -3.013 1.717 -0.127) 3.470 42.370 ( -3.096 -1.853 -0.188) 3.613 42.428 ( 4.503 2.022 0.207) 4.941 42.508 ( 4.000 -1.738 0.522) 4.392 66.128 ( 2.298 8.710 0.138) 9.009 66.537 ( 4.809 -13.906 -0.472) 14.722 67.588 ( -2.977 19.877 8.671) 21.889 68.503 ( -4.207 -14.486 -5.986) 16.228 ======================= Grid point 286 (116/171) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 9.700 11.806 -0.356) 15.283 2.178 ( 8.034 3.881 1.897) 9.122 2.456 ( -1.496 -8.849 6.059) 10.829 2.597 ( -1.022 -6.912 -6.500) 9.543 2.909 ( 0.466 6.657 7.849) 10.302 3.167 ( -4.742 14.515 -0.985) 15.302 3.233 ( 1.871 -1.332 -10.850) 11.091 3.601 ( -3.759 -22.703 -2.302) 23.127 4.336 ( -1.868 4.114 7.134) 8.445 4.363 ( 4.772 2.375 0.490) 5.353 4.443 ( 8.522 -0.948 10.363) 13.450 4.601 ( 11.051 3.101 -3.336) 11.953 4.699 ( -1.743 -2.061 0.865) 2.834 4.848 ( -2.139 0.883 -5.476) 5.945 5.266 ( 4.020 -0.318 4.363) 5.941 5.355 ( 3.078 0.460 -2.634) 4.077 5.401 ( -6.458 5.637 -3.068) 9.105 5.521 ( -3.407 -6.067 -2.096) 7.267 5.987 ( 4.685 6.803 2.167) 8.540 6.137 ( 6.088 -8.462 0.759) 10.452 6.445 ( -5.543 -0.404 2.674) 6.167 6.543 ( -6.067 -0.783 -7.193) 9.443 6.998 ( -3.095 7.871 1.433) 8.578 7.147 ( -2.901 -6.803 -0.445) 7.409 7.409 ( -4.580 7.091 6.715) 10.786 7.643 ( -3.917 -6.046 -6.685) 9.827 18.966 ( 0.431 1.091 -0.038) 1.173 18.980 ( 0.020 -0.499 0.093) 0.508 19.001 ( 0.461 1.733 -0.023) 1.793 19.048 ( 1.425 -3.266 -0.123) 3.565 19.281 ( 0.098 0.352 0.361) 0.514 19.292 ( 0.041 -0.226 -0.232) 0.327 19.321 ( -1.059 2.943 0.019) 3.127 19.366 ( -0.765 -2.096 -0.007) 2.231 42.367 ( 3.442 2.309 0.159) 4.148 42.372 ( -2.131 1.839 -0.131) 2.818 42.403 ( -2.267 -1.576 0.034) 2.761 42.417 ( 4.238 -2.868 0.006) 5.117 66.155 ( 3.536 8.924 0.139) 9.600 66.343 ( 4.341 -12.189 -0.380) 12.944 67.869 ( -0.374 20.470 8.045) 21.997 68.340 ( 0.105 -17.095 -7.850) 18.812 ======================= Grid point 287 (117/171) ======================= q-point: (-0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 6.966 -0.000 -2.475) 7.393 2.003 ( 6.966 0.000 2.475) 7.393 2.518 ( 0.722 0.000 -9.193) 9.221 2.518 ( 0.722 -0.000 9.193) 9.221 3.062 ( -2.293 0.000 -12.653) 12.859 3.062 ( -2.293 -0.000 12.653) 12.859 3.468 ( -6.333 -0.000 -2.545) 6.825 3.468 ( -6.333 0.000 2.545) 6.825 4.283 ( 15.501 0.000 -7.501) 17.220 4.283 ( 15.501 0.000 7.501) 17.220 4.445 ( -4.948 0.000 -4.707) 6.829 4.445 ( -4.948 -0.000 4.707) 6.829 4.832 ( -5.736 0.000 -6.341) 8.550 4.832 ( -5.736 0.000 6.341) 8.550 5.260 ( 1.791 -0.000 -2.112) 2.769 5.260 ( 1.791 0.000 2.112) 2.769 5.486 ( 1.208 -0.000 -0.502) 1.308 5.486 ( 1.208 0.000 0.502) 1.308 5.967 ( 6.438 -0.000 -3.029) 7.115 5.967 ( 6.438 0.000 3.029) 7.115 6.551 ( -1.161 0.000 -5.974) 6.086 6.551 ( -1.161 -0.000 5.974) 6.086 7.105 ( -0.768 -0.000 -1.414) 1.609 7.105 ( -0.768 0.000 1.414) 1.609 7.636 ( -8.241 0.000 -7.756) 11.317 7.636 ( -8.241 0.000 7.756) 11.317 18.967 ( 0.691 -0.000 -0.001) 0.691 18.967 ( 0.691 0.000 0.001) 0.691 19.011 ( 0.273 -0.000 -0.519) 0.587 19.011 ( 0.273 0.000 0.519) 0.587 19.288 ( -0.155 0.000 -0.591) 0.611 19.288 ( -0.155 -0.000 0.591) 0.611 19.360 ( -0.770 -0.000 -0.008) 0.770 19.360 ( -0.770 0.000 0.008) 0.770 42.335 ( 1.985 -0.000 -0.000) 1.985 42.335 ( 1.985 0.000 0.000) 1.985 42.420 ( -0.926 -0.000 -0.004) 0.926 42.420 ( -0.926 0.000 0.004) 0.926 66.181 ( 3.339 -0.000 -2.615) 4.241 66.181 ( 3.339 0.000 2.615) 4.241 68.070 ( 5.372 -0.000 -9.365) 10.796 68.070 ( 5.372 0.000 9.365) 10.796 ======================= Grid point 296 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -7.319 20.513 0.335) 21.782 1.962 ( -1.524 16.936 -3.958) 17.459 2.604 ( -1.801 14.092 3.485) 14.628 2.824 ( 3.829 7.516 0.796) 8.473 2.918 ( 6.049 -7.258 -3.778) 10.175 3.101 ( 12.468 -11.833 -0.555) 17.198 3.471 ( 7.183 -5.083 -2.852) 9.250 3.751 ( -8.626 -8.938 -0.994) 12.461 3.844 ( -17.425 15.577 0.275) 23.374 4.465 ( -2.005 0.923 11.568) 11.777 4.639 ( 0.846 4.084 -2.618) 4.924 4.685 ( -6.722 -0.988 -3.833) 7.801 4.881 ( 12.157 1.025 1.445) 12.285 4.902 ( 6.447 6.412 -1.438) 9.206 5.005 ( -11.188 -0.205 -3.581) 11.749 5.109 ( 5.141 0.444 0.864) 5.232 5.439 ( -0.447 -4.322 1.003) 4.460 5.708 ( 3.072 -2.754 -0.082) 4.127 5.875 ( -1.234 9.395 -0.254) 9.479 6.355 ( 0.025 -3.079 8.459) 9.002 6.507 ( 2.259 -3.607 -8.215) 9.252 6.536 ( 2.596 -12.115 -1.325) 12.460 6.710 ( -9.479 0.128 2.135) 9.717 7.058 ( -6.784 -3.965 1.409) 7.983 7.330 ( 7.990 5.326 0.618) 9.622 7.823 ( 4.404 -10.486 -1.375) 11.456 18.952 ( -0.340 0.657 -0.161) 0.757 18.983 ( -0.045 -0.237 0.016) 0.242 18.991 ( 1.016 2.269 -0.181) 2.492 19.177 ( 2.106 -3.975 -0.038) 4.499 19.212 ( -1.557 3.665 0.122) 3.984 19.282 ( 0.320 0.813 0.076) 0.877 19.309 ( 0.379 -0.568 0.068) 0.686 19.372 ( -0.899 -1.688 -0.000) 1.912 42.259 ( -0.426 0.523 -0.119) 0.685 42.334 ( -2.818 -1.760 -0.169) 3.326 42.468 ( 1.959 2.151 0.120) 2.912 42.571 ( 1.688 -0.345 0.529) 1.802 66.075 ( 0.231 9.194 0.070) 9.197 66.721 ( 2.988 -14.084 -0.476) 14.405 67.419 ( -1.188 21.323 3.695) 21.674 68.531 ( -5.696 -16.727 -0.720) 17.685 ======================= Grid point 297 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 4.461 14.870 -0.000) 15.525 2.079 ( -5.234 19.036 -0.000) 19.743 2.649 ( 6.891 -15.425 -0.000) 16.894 2.711 ( 3.643 -10.577 -0.000) 11.187 2.838 ( -0.762 9.895 -0.000) 9.924 2.976 ( 3.150 18.207 -0.000) 18.478 3.301 ( 3.080 -10.573 0.000) 11.012 3.719 ( -5.502 -20.472 0.000) 21.199 4.211 ( -8.317 13.272 0.000) 15.663 4.495 ( 9.266 -0.422 -0.000) 9.276 4.643 ( 12.184 11.574 -0.000) 16.805 4.649 ( 0.960 -0.138 -0.000) 0.970 4.727 ( -2.125 -6.974 0.000) 7.291 4.819 ( 5.403 1.160 -0.000) 5.526 5.158 ( -8.086 7.851 0.000) 11.271 5.250 ( -11.346 1.299 0.000) 11.420 5.404 ( 1.573 -2.984 -0.000) 3.373 5.581 ( 5.325 -6.470 -0.000) 8.380 5.969 ( 0.692 8.994 -0.000) 9.021 6.321 ( 5.752 -8.389 -0.000) 10.172 6.422 ( -1.643 -5.078 0.000) 5.337 6.432 ( -4.000 -4.155 0.000) 5.768 6.868 ( -5.742 5.961 0.000) 8.277 7.128 ( -5.960 -5.877 0.000) 8.370 7.328 ( 1.323 9.528 -0.000) 9.619 7.673 ( 1.281 -10.277 0.000) 10.357 18.961 ( -0.041 0.830 -0.000) 0.831 18.983 ( -0.242 -0.510 0.000) 0.564 18.994 ( 0.864 2.260 -0.000) 2.420 19.108 ( 1.972 -3.950 -0.000) 4.415 19.267 ( -1.255 2.780 0.000) 3.051 19.287 ( 0.092 1.374 -0.000) 1.377 19.299 ( 0.338 -0.463 -0.000) 0.573 19.371 ( -0.821 -1.914 0.000) 2.083 42.300 ( -3.090 1.708 0.000) 3.531 42.369 ( -3.189 -1.854 0.000) 3.689 42.430 ( 4.584 2.089 -0.000) 5.038 42.512 ( 4.231 -1.828 -0.000) 4.609 66.129 ( 2.534 8.830 -0.000) 9.187 66.533 ( 4.577 -13.810 0.000) 14.549 67.670 ( -2.364 24.127 -0.000) 24.243 68.445 ( -3.633 -19.084 0.000) 19.427 ======================= Grid point 306 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -6.506 23.398 -0.000) 24.286 1.726 ( -5.604 19.760 -0.000) 20.539 2.427 ( -2.430 17.270 -0.000) 17.440 2.749 ( 1.963 19.794 -0.000) 19.891 3.083 ( 1.229 -10.947 0.000) 11.015 3.248 ( -24.776 24.707 0.000) 34.990 3.442 ( 9.323 -15.843 -0.000) 18.382 3.625 ( 6.576 -1.640 -0.000) 6.777 3.789 ( 5.438 -6.732 -0.000) 8.655 4.452 ( -5.561 -1.893 0.000) 5.874 4.539 ( -1.064 5.953 -0.000) 6.047 4.672 ( 1.529 -3.896 -0.000) 4.185 4.678 ( -9.047 8.753 0.000) 12.588 4.926 ( 2.894 5.486 -0.000) 6.203 5.201 ( 8.847 -8.041 -0.000) 11.955 5.260 ( 13.288 0.519 -0.000) 13.299 5.474 ( -0.962 -5.577 0.000) 5.659 5.666 ( -5.631 5.290 0.000) 7.726 5.830 ( 1.027 1.884 -0.000) 2.146 6.395 ( -1.832 4.897 0.000) 5.229 6.528 ( 4.820 -4.281 -0.000) 6.447 6.533 ( -16.594 -4.312 0.000) 17.145 6.681 ( 1.175 -12.055 0.000) 12.113 6.993 ( -5.964 -4.208 0.000) 7.299 7.488 ( 13.948 1.090 -0.000) 13.990 7.996 ( 4.843 -11.307 -0.000) 12.300 18.939 ( -0.375 0.579 0.000) 0.690 18.985 ( -0.151 -0.591 0.000) 0.610 18.987 ( 1.284 2.827 -0.000) 3.105 19.156 ( -1.418 3.535 0.000) 3.809 19.244 ( 1.948 -3.573 -0.000) 4.070 19.280 ( 0.279 0.822 -0.000) 0.869 19.321 ( 0.308 -0.728 -0.000) 0.791 19.371 ( -0.921 -1.490 0.000) 1.752 42.282 ( 2.832 -1.005 -0.000) 3.005 42.312 ( -1.302 -1.238 0.000) 1.796 42.453 ( -1.403 2.185 0.000) 2.597 42.571 ( -1.820 0.481 0.000) 1.882 65.974 ( -2.112 9.946 -0.000) 10.168 66.866 ( 0.171 -13.313 0.000) 13.314 67.261 ( 1.282 18.417 -0.000) 18.462 68.579 ( -6.006 -15.760 0.000) 16.866 ======================= Grid point 316 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 0.000 26.441 0.000) 26.441 1.561 ( 0.000 26.206 0.000) 26.206 2.394 ( 0.000 17.240 0.000) 17.240 2.673 ( 0.000 42.688 0.000) 42.688 2.820 ( 0.000 23.205 0.000) 23.205 3.045 ( -0.000 -8.971 -0.000) 8.971 3.646 ( -0.000 -19.587 -0.000) 19.587 3.773 ( -0.000 -15.092 -0.000) 15.092 3.934 ( 0.000 13.065 0.000) 13.065 4.394 ( -0.000 -10.887 -0.000) 10.887 4.406 ( 0.000 8.531 0.000) 8.531 4.651 ( 0.000 11.270 0.000) 11.270 4.732 ( -0.000 -5.670 -0.000) 5.670 5.309 ( -0.000 -10.221 -0.000) 10.221 5.326 ( -0.000 -2.978 -0.000) 2.978 5.381 ( 0.000 0.422 0.000) 0.422 5.472 ( -0.000 -5.266 -0.000) 5.266 5.484 ( -0.000 -4.717 -0.000) 4.717 5.671 ( 0.000 10.871 0.000) 10.871 6.162 ( 0.000 7.222 0.000) 7.222 6.363 ( 0.000 7.913 0.000) 7.913 6.652 ( -0.000 -12.630 -0.000) 12.630 6.678 ( -0.000 -3.736 -0.000) 3.736 6.874 ( -0.000 -6.120 -0.000) 6.120 7.803 ( -0.000 -4.100 -0.000) 4.100 8.084 ( -0.000 -11.545 -0.000) 11.545 18.932 ( 0.000 0.561 0.000) 0.561 18.982 ( -0.000 -0.694 -0.000) 0.694 19.022 ( 0.000 3.813 0.000) 3.813 19.123 ( 0.000 2.527 0.000) 2.527 19.286 ( 0.000 0.858 0.000) 0.858 19.291 ( -0.000 -2.885 -0.000) 2.885 19.316 ( -0.000 -1.897 -0.000) 1.897 19.351 ( -0.000 -1.170 -0.000) 1.170 42.342 ( 0.000 0.894 0.000) 0.894 42.361 ( 0.000 0.951 0.000) 0.951 42.411 ( -0.000 -0.863 -0.000) 0.863 42.439 ( -0.000 -0.944 -0.000) 0.944 65.925 ( 0.000 11.613 0.000) 11.613 66.837 ( -0.000 -10.798 -0.000) 10.798 67.295 ( 0.000 16.296 0.000) 16.296 68.452 ( -0.000 -12.470 -0.000) 12.470 ======================= Grid point 317 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -2.755 24.772 -0.116) 24.925 1.835 ( -5.159 21.647 2.325) 22.375 2.561 ( -0.677 16.141 2.059) 16.286 2.946 ( 0.406 1.005 -3.027) 3.215 3.000 ( 0.311 6.573 3.633) 7.517 3.157 ( -13.325 31.185 0.386) 33.915 3.418 ( 5.027 -11.063 -5.786) 13.459 3.620 ( 3.025 -14.017 3.013) 14.653 3.964 ( 11.003 -0.307 5.210) 12.178 4.298 ( -2.913 -9.335 -1.697) 9.925 4.536 ( -4.832 5.633 3.190) 8.078 4.685 ( 0.974 -1.636 0.561) 1.985 4.728 ( 1.278 10.866 -0.461) 10.950 5.093 ( 10.567 3.909 -1.706) 11.395 5.199 ( 2.580 -9.117 -0.492) 9.488 5.400 ( 3.587 -6.027 -1.039) 7.090 5.419 ( 1.601 -2.298 -0.926) 2.950 5.572 ( -10.345 -2.003 -0.078) 10.538 5.825 ( -4.181 8.348 0.333) 9.343 6.278 ( -7.080 3.431 -3.794) 8.734 6.402 ( -1.634 6.714 -7.151) 9.944 6.555 ( -0.472 -12.602 3.444) 13.073 6.636 ( 3.847 -3.691 6.630) 8.507 6.858 ( -4.548 -5.546 -0.759) 7.213 7.686 ( 9.474 -1.402 -0.844) 9.614 7.960 ( 2.490 -10.848 -0.419) 11.137 18.940 ( -0.221 0.626 0.257) 0.712 18.978 ( -0.102 -0.724 0.267) 0.778 19.041 ( 1.604 3.785 0.055) 4.111 19.159 ( -1.497 3.093 -0.219) 3.443 19.245 ( 1.844 -3.486 0.011) 3.944 19.292 ( 0.202 0.877 -0.046) 0.901 19.308 ( -0.737 -1.833 -0.089) 1.978 19.345 ( -0.442 -1.315 -0.060) 1.388 42.310 ( 1.857 -0.143 0.124) 1.866 42.332 ( 4.369 -1.158 0.132) 4.521 42.427 ( -3.753 1.922 -0.064) 4.217 42.508 ( -5.022 -0.655 -0.345) 5.076 66.046 ( -1.179 12.323 0.664) 12.397 66.743 ( -1.025 -12.259 -0.860) 12.331 67.431 ( 1.212 17.536 -1.054) 17.610 68.349 ( -3.849 -14.555 -3.287) 15.410 ======================= Grid point 318 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -4.077 21.008 -1.712) 21.468 2.120 ( -4.554 16.998 5.961) 18.580 2.614 ( 2.389 -2.892 -8.361) 9.164 2.923 ( 1.767 8.653 1.916) 9.037 3.016 ( 3.694 -9.693 6.577) 12.282 3.265 ( 8.965 9.496 1.836) 13.188 3.485 ( -0.281 -11.567 2.909) 11.931 3.644 ( -10.222 13.165 -3.336) 16.998 3.771 ( 5.026 -1.424 7.315) 8.988 4.256 ( -4.837 -8.951 -7.767) 12.800 4.657 ( -0.855 1.746 0.863) 2.128 4.699 ( -1.970 3.148 2.749) 4.621 4.848 ( -5.818 7.137 2.313) 9.494 4.990 ( 5.033 0.772 -3.414) 6.130 5.090 ( 4.002 -1.258 1.622) 4.498 5.243 ( 8.583 -2.876 -0.426) 9.062 5.391 ( -0.411 0.752 -2.399) 2.548 5.661 ( -4.390 -6.337 -0.688) 7.740 5.953 ( -1.434 11.551 0.820) 11.669 6.249 ( 0.332 -2.854 -8.930) 9.381 6.459 ( 0.895 -13.313 0.809) 13.367 6.512 ( -7.297 2.098 -1.871) 7.820 6.646 ( 0.946 1.545 7.122) 7.349 6.908 ( -6.245 -3.910 1.066) 7.445 7.491 ( 10.478 0.966 -4.761) 11.549 7.831 ( 3.676 -7.825 2.818) 9.093 18.953 ( -0.317 0.636 0.404) 0.817 18.977 ( -0.179 -0.665 0.392) 0.792 19.044 ( 1.911 3.586 0.074) 4.064 19.179 ( 2.192 -3.893 0.052) 4.467 19.214 ( -1.763 3.336 -0.266) 3.782 19.294 ( 0.330 0.870 -0.187) 0.949 19.302 ( -0.378 -1.365 -0.202) 1.431 19.341 ( -0.766 -1.760 -0.004) 1.920 42.274 ( 1.766 -0.146 0.266) 1.792 42.295 ( -0.359 -1.044 0.423) 1.182 42.490 ( -1.473 2.305 -0.326) 2.755 42.557 ( -1.978 -1.010 -0.827) 2.370 66.166 ( 0.026 11.423 -0.320) 11.428 66.641 ( 0.443 -12.649 1.023) 12.698 67.529 ( 0.857 17.062 -7.846) 18.799 68.296 ( -7.065 -14.401 1.158) 16.082 ======================= Grid point 319 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -4.338 16.094 -2.674) 16.881 2.369 ( 0.265 14.113 4.724) 14.885 2.405 ( -0.741 -12.587 -6.620) 14.241 2.772 ( 12.441 -9.263 0.053) 15.511 3.090 ( 3.058 9.324 8.558) 13.020 3.186 ( 11.005 5.579 2.352) 12.561 3.454 ( -1.817 -4.456 8.714) 9.955 3.659 ( -0.199 -9.898 11.310) 15.031 3.997 ( -9.089 10.545 -10.623) 17.511 4.163 ( -3.899 -6.844 -14.262) 16.293 4.661 ( 3.448 2.162 -2.385) 4.718 4.715 ( 2.917 -3.448 -0.716) 4.572 4.910 ( 0.603 6.600 -0.249) 6.632 5.014 ( 4.228 -0.871 0.903) 4.410 5.069 ( -6.102 -1.031 5.034) 7.977 5.190 ( -4.129 4.731 3.956) 7.422 5.371 ( 1.425 0.400 -3.843) 4.119 5.606 ( 1.970 -6.574 -0.406) 6.875 6.085 ( 1.413 12.598 1.198) 12.734 6.157 ( -2.284 -2.166 -7.131) 7.794 6.318 ( 2.131 -13.342 1.420) 13.585 6.589 ( -0.817 -0.812 5.100) 5.228 6.749 ( -6.755 3.451 -1.104) 7.666 7.000 ( -5.837 -1.409 1.594) 6.212 7.295 ( 6.129 -0.528 -8.751) 10.697 7.774 ( 2.450 -2.803 6.756) 7.713 18.966 ( -0.189 0.437 0.294) 0.559 18.979 ( -0.209 -0.398 0.454) 0.638 19.044 ( 1.848 3.380 0.081) 3.853 19.110 ( 2.088 -3.843 0.146) 4.376 19.265 ( -1.341 2.608 -0.276) 2.946 19.290 ( 0.311 -0.052 -0.457) 0.555 19.299 ( -0.374 0.125 -0.175) 0.432 19.339 ( -0.843 -1.937 0.145) 2.117 42.280 ( -1.451 1.233 0.333) 1.933 42.310 ( -2.199 -1.634 0.519) 2.789 42.501 ( 2.053 2.201 -0.614) 3.072 42.538 ( 1.860 -1.643 -0.911) 2.644 66.231 ( 1.099 8.540 -1.812) 8.799 66.517 ( 4.647 -10.260 2.466) 11.530 67.564 ( -2.707 9.877 -14.580) 17.818 68.366 ( -8.033 -7.671 8.334) 13.886 ======================= Grid point 320 (125/171) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 1.523 0.000 -5.939) 6.131 2.227 ( 2.067 0.000 -3.009) 3.650 2.460 ( 15.202 -0.000 3.584) 15.619 2.579 ( -4.287 -0.000 4.090) 5.925 2.975 ( 10.948 -0.000 2.282) 11.183 3.259 ( -2.139 -0.000 6.657) 6.992 3.574 ( -4.143 -0.000 9.249) 10.135 3.669 ( 5.848 -0.000 12.534) 13.831 3.992 ( -3.999 0.000 -19.110) 19.524 4.027 ( 2.181 0.000 -14.959) 15.117 4.515 ( 8.472 0.000 -1.172) 8.552 4.653 ( 4.090 0.000 -1.675) 4.420 4.906 ( 7.959 -0.000 2.858) 8.456 4.966 ( 0.453 -0.000 1.432) 1.501 5.158 ( -0.505 0.000 -2.840) 2.885 5.365 ( -8.313 -0.000 1.228) 8.403 5.436 ( -12.880 -0.000 4.220) 13.553 5.517 ( 4.973 -0.000 -0.065) 4.974 6.031 ( 5.892 0.000 -4.259) 7.270 6.187 ( 3.237 -0.000 3.716) 4.929 6.286 ( -7.956 0.000 -0.300) 7.961 6.662 ( -3.220 -0.000 6.410) 7.174 6.873 ( -7.628 0.000 -2.548) 8.043 7.088 ( -3.822 -0.000 1.106) 3.978 7.152 ( 0.267 0.000 -9.810) 9.814 7.814 ( -0.639 -0.000 8.082) 8.107 18.970 ( 0.074 0.000 -0.002) 0.074 18.985 ( -0.084 -0.000 0.475) 0.482 19.036 ( 1.877 0.000 -0.100) 1.879 19.057 ( 1.499 -0.000 0.353) 1.540 19.276 ( 0.400 0.000 -0.480) 0.625 19.291 ( -0.466 0.000 -0.147) 0.489 19.317 ( -1.260 0.000 -0.362) 1.311 19.342 ( -0.714 -0.000 0.310) 0.778 42.334 ( -3.196 -0.000 0.129) 3.198 42.345 ( -2.831 -0.000 0.412) 2.860 42.459 ( 3.950 0.000 -0.544) 3.987 42.462 ( 4.399 0.000 -0.548) 4.433 66.263 ( -1.330 0.000 -1.130) 1.745 66.359 ( 9.363 -0.000 1.309) 9.454 67.544 ( -4.900 0.000 -14.635) 15.434 68.540 ( -6.122 -0.000 10.951) 12.546 ======================= Grid point 327 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 24.587 1.805) 24.653 1.590 ( 0.000 25.368 3.247) 25.575 2.456 ( -0.000 16.792 6.918) 18.161 2.713 ( 0.000 37.855 4.589) 38.133 2.858 ( 0.000 23.019 4.450) 23.445 3.013 ( 0.000 -5.632 -3.661) 6.718 3.480 ( 0.000 -14.848 -14.877) 21.019 3.824 ( -0.000 -15.220 5.300) 16.117 4.061 ( -0.000 8.316 10.335) 13.266 4.350 ( 0.000 -1.614 -0.745) 1.778 4.508 ( -0.000 -1.481 7.287) 7.436 4.630 ( 0.000 11.122 -2.322) 11.361 4.737 ( -0.000 -5.968 0.516) 5.991 5.258 ( 0.000 -8.006 -4.783) 9.326 5.291 ( 0.000 -2.713 -3.952) 4.794 5.403 ( -0.000 -1.955 0.848) 2.131 5.456 ( 0.000 -5.170 -1.307) 5.332 5.477 ( -0.000 -4.505 -0.873) 4.588 5.688 ( 0.000 10.839 1.965) 11.016 6.125 ( 0.000 6.319 -3.968) 7.462 6.274 ( 0.000 5.723 -8.130) 9.943 6.690 ( -0.000 -12.326 3.495) 12.812 6.774 ( -0.000 -1.780 8.855) 9.032 6.830 ( 0.000 -4.205 -4.393) 6.081 7.800 ( -0.000 -3.947 -0.358) 3.964 8.061 ( -0.000 -11.576 -2.582) 11.860 18.937 ( -0.000 0.567 0.522) 0.771 18.987 ( -0.000 -0.681 0.525) 0.860 19.024 ( 0.000 3.796 0.177) 3.800 19.118 ( 0.000 2.584 -0.570) 2.646 19.284 ( 0.000 -0.057 -0.216) 0.223 19.294 ( -0.000 -2.030 0.289) 2.050 19.314 ( -0.000 -1.886 -0.211) 1.897 19.350 ( -0.000 -1.199 -0.165) 1.210 42.343 ( 0.000 0.903 0.155) 0.916 42.361 ( 0.000 0.944 0.002) 0.944 42.412 ( -0.000 -0.851 0.104) 0.858 42.436 ( 0.000 -0.867 -0.370) 0.942 65.943 ( 0.000 11.357 2.095) 11.549 66.795 ( 0.000 -7.983 -4.675) 9.251 67.317 ( 0.000 13.473 2.291) 13.666 68.352 ( 0.000 -8.899 -10.889) 14.063 ======================= Grid point 328 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -2.688 21.616 0.529) 21.789 1.902 ( -7.721 20.376 5.090) 22.376 2.606 ( 4.173 8.691 1.455) 9.750 2.895 ( -2.338 -0.419 -1.794) 2.977 3.083 ( -2.332 7.209 5.215) 9.198 3.184 ( -7.615 29.280 3.460) 30.452 3.272 ( -1.392 -2.608 -9.428) 9.880 3.704 ( 4.067 -13.605 6.152) 15.476 4.100 ( 12.512 -2.152 9.468) 15.838 4.267 ( 2.677 -6.005 -1.359) 6.714 4.608 ( -4.206 2.055 3.821) 6.043 4.690 ( 1.028 3.886 -0.283) 4.029 4.727 ( -2.708 4.808 1.067) 5.620 5.042 ( 7.760 0.741 -3.913) 8.722 5.179 ( 2.997 -5.573 -1.927) 6.615 5.359 ( 0.618 -6.690 -3.709) 7.674 5.399 ( 4.335 -1.342 -1.202) 4.695 5.567 ( -10.541 -3.406 -0.647) 11.096 5.840 ( -2.677 9.742 1.444) 10.205 6.173 ( -3.171 0.524 -7.427) 8.092 6.277 ( -5.842 6.265 -6.960) 11.037 6.605 ( 0.416 -12.420 1.374) 12.503 6.754 ( 1.786 -1.605 4.515) 5.114 6.868 ( -3.034 -2.277 4.182) 5.646 7.658 ( 10.956 -3.373 -2.366) 11.705 7.946 ( 0.129 -9.336 -1.117) 9.404 18.949 ( -0.165 0.620 0.709) 0.956 18.986 ( -0.025 -0.728 0.638) 0.968 19.043 ( 1.659 3.751 0.149) 4.104 19.153 ( -1.610 3.233 -0.553) 3.654 19.245 ( 1.816 -3.428 0.024) 3.879 19.291 ( 0.224 0.639 -0.119) 0.688 19.305 ( -0.645 -1.719 -0.235) 1.851 19.343 ( -0.574 -1.367 -0.164) 1.491 42.314 ( 1.809 -0.117 0.327) 1.842 42.336 ( 4.128 -1.101 0.357) 4.287 42.425 ( -3.595 1.824 -0.165) 4.035 42.498 ( -4.511 -0.410 -0.804) 4.600 66.068 ( -0.233 11.487 1.824) 11.634 66.713 ( -2.825 -9.392 -2.610) 10.149 67.397 ( 5.172 13.978 -2.830) 15.171 68.252 ( -8.024 -10.032 -7.315) 14.782 ======================= Grid point 329 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -4.483 17.149 -0.422) 17.730 2.236 ( -6.658 15.488 7.079) 18.284 2.462 ( 2.942 -10.622 -9.092) 14.288 2.938 ( 7.723 7.994 0.956) 11.156 3.135 ( -6.269 -7.252 5.327) 10.967 3.328 ( 7.300 15.238 5.605) 17.802 3.545 ( -5.521 9.214 1.850) 10.900 3.598 ( -1.320 -1.904 0.716) 2.425 3.927 ( 6.759 -6.401 10.327) 13.904 4.126 ( 3.374 -8.643 -6.461) 11.306 4.650 ( 0.738 1.497 -1.761) 2.427 4.738 ( -1.254 2.289 1.363) 2.945 4.862 ( -2.891 3.789 -2.169) 5.236 4.952 ( -1.426 -1.313 0.036) 1.939 5.110 ( 1.222 1.008 0.301) 1.613 5.240 ( 6.189 -1.253 0.274) 6.320 5.343 ( 0.165 0.824 -2.653) 2.783 5.639 ( -4.447 -6.840 -2.021) 8.405 5.972 ( -2.218 10.515 1.022) 10.795 6.112 ( 0.632 -1.131 -6.485) 6.613 6.425 ( -10.356 3.627 -5.206) 12.146 6.485 ( 1.608 -11.738 0.323) 11.852 6.777 ( 0.952 -1.086 6.500) 6.658 6.933 ( -3.414 -0.641 2.318) 4.176 7.395 ( 11.346 -3.899 -6.014) 13.420 7.881 ( 1.206 -4.559 2.752) 5.460 18.963 ( -0.150 0.561 0.695) 0.905 18.986 ( -0.022 -0.586 0.607) 0.844 19.046 ( 1.908 3.555 0.117) 4.037 19.180 ( 2.134 -3.831 0.089) 4.386 19.208 ( -1.816 3.410 -0.424) 3.887 19.290 ( 0.379 0.632 -0.309) 0.799 19.297 ( -0.405 -1.337 -0.344) 1.439 19.341 ( -0.883 -1.686 -0.009) 1.904 42.280 ( 1.681 -0.137 0.457) 1.747 42.305 ( -0.307 -0.951 0.689) 1.213 42.483 ( -1.362 2.018 -0.533) 2.492 42.538 ( -1.702 -0.570 -1.240) 2.182 66.159 ( 1.037 9.196 -0.408) 9.263 66.665 ( -0.971 -9.892 1.681) 10.081 67.357 ( 4.222 11.656 -11.519) 16.923 68.316 ( -11.887 -7.985 1.033) 14.357 ======================= Grid point 330 (129/171) ======================= q-point: ( 0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -4.520 12.438 -1.308) 13.298 2.265 ( 0.268 -9.595 -6.611) 11.655 2.505 ( -4.136 8.740 7.940) 12.511 2.775 ( 12.798 -3.481 1.565) 13.355 3.211 ( 13.054 3.914 4.478) 14.345 3.290 ( 3.496 7.136 8.992) 12.000 3.584 ( -1.915 0.886 4.462) 4.936 3.734 ( -5.245 3.716 -7.360) 9.772 3.897 ( 2.555 -12.762 -3.839) 13.570 3.985 ( -0.625 -2.062 3.730) 4.308 4.610 ( 4.964 1.650 -3.052) 6.056 4.677 ( 2.829 -2.737 -3.824) 5.488 4.898 ( -2.782 7.692 -0.969) 8.237 5.021 ( -0.706 -3.924 0.062) 3.988 5.153 ( -3.701 -0.156 4.042) 5.483 5.219 ( 0.363 7.733 -1.301) 7.850 5.338 ( -3.712 -3.401 0.696) 5.083 5.581 ( 1.160 -5.070 -2.488) 5.765 6.038 ( -0.817 -1.830 -5.777) 6.115 6.125 ( -1.443 11.723 2.458) 12.065 6.352 ( 2.113 -11.828 2.664) 12.307 6.588 ( -9.355 2.934 -3.103) 10.284 6.802 ( 0.393 -0.683 4.988) 5.050 7.006 ( -2.673 3.499 -1.020) 4.520 7.157 ( 4.684 -6.193 -6.672) 10.238 7.878 ( 0.459 -0.962 5.355) 5.460 18.972 ( 0.109 0.216 0.378) 0.449 18.989 ( -0.056 -0.160 0.596) 0.620 19.046 ( 1.862 3.288 0.086) 3.779 19.113 ( 2.037 -3.754 0.174) 4.275 19.260 ( -1.415 2.671 -0.339) 3.042 19.281 ( 0.431 0.039 -0.512) 0.670 19.295 ( -0.649 -0.392 -0.274) 0.806 19.341 ( -0.843 -1.608 0.152) 1.822 42.286 ( -1.316 1.151 0.439) 1.803 42.320 ( -1.961 -1.507 0.650) 2.557 42.489 ( 1.859 1.772 -0.754) 2.677 42.520 ( 1.699 -1.148 -1.073) 2.314 66.200 ( 0.138 5.983 -1.718) 6.226 66.563 ( 6.715 -7.952 2.814) 10.782 67.315 ( -3.365 6.315 -13.978) 15.703 68.492 ( -11.065 -3.448 6.160) 13.125 ======================= Grid point 331 (130/171) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 7.733 0.000 -6.452) 10.071 2.204 ( -2.880 -0.000 0.282) 2.894 2.563 ( 11.819 -0.000 8.736) 14.697 2.660 ( 0.445 -0.000 5.665) 5.682 3.027 ( 10.882 -0.000 3.267) 11.362 3.379 ( 2.281 -0.000 5.120) 5.605 3.601 ( -4.646 0.000 -15.973) 16.635 3.711 ( 0.156 0.000 -9.776) 9.778 3.795 ( -1.456 -0.000 6.150) 6.320 3.910 ( 13.020 -0.000 4.451) 13.760 4.535 ( 3.485 -0.000 3.951) 5.268 4.599 ( 2.243 0.000 -4.909) 5.397 4.926 ( 11.780 -0.000 0.022) 11.780 4.964 ( 0.960 0.000 -1.542) 1.817 5.138 ( -3.161 -0.000 0.628) 3.223 5.390 ( -9.988 -0.000 1.211) 10.061 5.475 ( -11.445 -0.000 0.511) 11.457 5.499 ( 2.899 0.000 -1.751) 3.387 5.968 ( 4.258 0.000 -3.102) 5.268 6.280 ( 2.316 -0.000 6.905) 7.283 6.286 ( -7.757 0.000 0.144) 7.758 6.718 ( -5.785 0.000 0.148) 5.787 6.855 ( -4.652 0.000 -0.932) 4.744 7.004 ( -1.166 0.000 -6.121) 6.231 7.097 ( -3.214 0.000 0.045) 3.215 7.935 ( -1.560 -0.000 5.952) 6.153 18.970 ( 0.370 -0.000 0.041) 0.372 18.994 ( 0.044 -0.000 0.506) 0.508 19.035 ( 1.911 -0.000 -0.019) 1.911 19.062 ( 1.551 -0.000 0.210) 1.565 19.268 ( 0.404 0.000 -0.417) 0.581 19.287 ( -0.704 0.000 -0.218) 0.737 19.311 ( -1.363 0.000 -0.292) 1.393 19.346 ( -0.661 -0.000 0.234) 0.702 42.336 ( -2.947 -0.000 0.173) 2.952 42.352 ( -2.458 -0.000 0.386) 2.488 42.450 ( 3.306 0.000 -0.473) 3.340 42.453 ( 4.058 0.000 -0.563) 4.097 66.246 ( -3.347 0.000 -0.796) 3.440 66.379 ( 11.391 -0.000 0.975) 11.432 67.320 ( -6.269 0.000 -11.266) 12.893 68.701 ( -8.414 -0.000 7.712) 11.414 ======================= Grid point 338 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -0.000 18.620 4.424) 19.139 1.671 ( -0.000 22.734 6.247) 23.577 2.600 ( -0.000 15.761 8.176) 17.755 2.789 ( 0.000 12.834 0.296) 12.837 2.956 ( 0.000 16.616 0.466) 16.623 2.976 ( -0.000 22.031 9.649) 24.052 3.210 ( 0.000 -14.442 -15.383) 21.100 3.928 ( -0.000 -13.972 6.526) 15.421 4.229 ( -0.000 8.737 8.907) 12.476 4.352 ( 0.000 0.515 -0.642) 0.823 4.590 ( 0.000 6.029 -0.556) 6.054 4.639 ( -0.000 -0.799 7.176) 7.220 4.744 ( -0.000 -7.075 0.197) 7.078 5.163 ( 0.000 -7.147 -6.115) 9.406 5.203 ( 0.000 -2.614 -5.850) 6.408 5.371 ( 0.000 -5.297 -3.991) 6.632 5.455 ( -0.000 -2.687 0.696) 2.776 5.456 ( 0.000 -3.807 -1.470) 4.081 5.737 ( -0.000 10.806 3.568) 11.380 6.041 ( 0.000 4.995 -5.464) 7.403 6.133 ( 0.000 4.073 -7.689) 8.701 6.660 ( 0.000 -3.171 -7.992) 8.598 6.833 ( -0.000 -9.096 5.773) 10.773 6.932 ( -0.000 -1.022 9.023) 9.080 7.792 ( -0.000 -3.770 -0.476) 3.800 7.999 ( 0.000 -11.543 -4.497) 12.388 18.949 ( -0.000 0.574 0.934) 1.096 18.998 ( -0.000 -0.543 0.655) 0.851 19.028 ( 0.000 3.748 0.338) 3.764 19.105 ( 0.000 2.706 -0.900) 2.852 19.280 ( 0.000 -0.459 -0.159) 0.486 19.300 ( -0.000 -1.814 0.363) 1.849 19.309 ( -0.000 -1.847 -0.383) 1.886 19.346 ( 0.000 -1.283 -0.313) 1.320 42.347 ( -0.000 0.922 0.260) 0.958 42.361 ( 0.000 0.928 0.011) 0.928 42.414 ( -0.000 -0.822 0.156) 0.837 42.429 ( 0.000 -0.765 -0.399) 0.862 65.994 ( -0.000 10.678 3.769) 11.324 66.689 ( 0.000 -3.064 -7.320) 7.935 67.365 ( -0.000 8.632 3.233) 9.218 68.124 ( 0.000 -2.804 -14.424) 14.694 ======================= Grid point 339 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -3.681 15.231 2.553) 15.876 2.002 ( -10.294 17.319 6.674) 21.224 2.540 ( 7.546 -5.835 -9.228) 13.272 2.925 ( -5.705 10.672 3.031) 12.476 3.046 ( -6.578 -11.303 -7.706) 15.179 3.245 ( -2.649 21.128 5.909) 22.098 3.291 ( -1.341 25.005 9.162) 26.665 3.824 ( 5.485 -11.772 8.050) 15.280 4.248 ( 7.873 -4.568 -1.277) 9.191 4.263 ( 12.416 -0.743 8.820) 15.248 4.610 ( -0.793 2.124 -2.859) 3.649 4.723 ( -1.486 2.978 3.769) 5.028 4.747 ( -4.709 -0.902 0.345) 4.807 4.973 ( 3.644 -2.147 -3.647) 5.584 5.130 ( 1.996 -2.475 -3.772) 4.933 5.285 ( -1.397 -6.442 -4.522) 7.994 5.382 ( 4.814 -0.663 -0.570) 4.893 5.549 ( -9.212 -3.730 -1.498) 10.051 5.871 ( -0.750 9.732 1.669) 9.902 6.057 ( -1.836 1.009 -5.171) 5.579 6.166 ( -7.908 5.543 -5.952) 11.344 6.568 ( 0.347 -4.047 -5.407) 6.763 6.823 ( -1.519 -6.351 5.108) 8.291 6.982 ( 0.694 -2.358 7.012) 7.430 7.608 ( 13.042 -5.774 -3.422) 14.667 7.925 ( -2.968 -6.928 -1.315) 7.651 18.964 ( -0.067 0.579 0.990) 1.149 18.998 ( 0.069 -0.629 0.640) 0.901 19.046 ( 1.774 3.691 0.201) 4.100 19.142 ( -1.794 3.444 -0.658) 3.939 19.245 ( 1.764 -3.327 0.023) 3.766 19.288 ( 0.180 0.117 -0.150) 0.262 19.301 ( -0.375 -1.429 -0.291) 1.506 19.339 ( -0.824 -1.456 -0.217) 1.687 42.320 ( 1.728 -0.079 0.416) 1.779 42.343 ( 3.733 -1.006 0.463) 3.894 42.422 ( -3.326 1.669 -0.201) 3.727 42.483 ( -3.725 -0.143 -0.835) 3.820 66.106 ( 1.469 9.864 2.604) 10.307 66.654 ( -5.555 -4.206 -4.181) 8.126 67.341 ( 11.310 8.035 -3.486) 14.304 68.126 ( -14.393 -4.452 -6.894) 16.568 ======================= Grid point 340 (133/171) ======================= q-point: ( 0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -5.871 11.082 1.009) 12.581 2.285 ( 2.513 -2.837 -7.537) 8.437 2.377 ( -12.030 2.306 5.463) 13.413 2.973 ( 8.109 2.546 3.095) 9.045 3.154 ( -8.867 7.925 -2.464) 12.145 3.455 ( 0.546 5.610 6.442) 8.560 3.516 ( 1.742 16.550 -0.769) 16.659 3.699 ( 10.425 -2.303 7.700) 13.164 4.054 ( 6.115 -8.561 0.081) 10.521 4.116 ( 4.886 -7.234 9.742) 13.081 4.590 ( 0.988 2.683 -5.239) 5.969 4.752 ( 2.830 -0.301 0.404) 2.874 4.796 ( -1.696 -1.146 -4.514) 4.956 4.964 ( -6.350 -2.195 0.376) 6.729 5.083 ( -2.187 0.384 -3.330) 4.002 5.259 ( 2.842 1.668 1.957) 3.832 5.321 ( 0.961 1.923 0.228) 2.162 5.590 ( -3.435 -6.201 -3.718) 8.005 5.944 ( -4.059 0.218 -4.491) 6.057 6.074 ( 2.018 8.959 2.221) 9.448 6.335 ( -11.592 4.885 -4.682) 13.422 6.482 ( 1.024 -6.754 -1.116) 6.922 6.847 ( -1.477 -2.798 2.373) 3.955 6.995 ( 0.692 -2.236 4.273) 4.872 7.296 ( 12.040 -6.407 -5.353) 14.652 7.921 ( -1.115 -2.316 1.865) 3.175 18.976 ( 0.090 0.398 0.771) 0.872 18.997 ( 0.112 -0.390 0.560) 0.692 19.048 ( 1.923 3.527 0.109) 4.018 19.181 ( 2.060 -3.746 0.097) 4.276 19.200 ( -1.870 3.485 -0.423) 3.978 19.284 ( 0.461 0.301 -0.317) 0.635 19.291 ( -0.468 -1.263 -0.370) 1.397 19.341 ( -1.029 -1.618 -0.011) 1.918 42.289 ( 1.612 -0.102 0.493) 1.689 42.317 ( -0.282 -0.858 0.702) 1.144 42.473 ( -1.222 1.659 -0.553) 2.133 42.517 ( -1.348 -0.107 -1.130) 1.762 66.153 ( 2.097 6.490 -0.243) 6.824 66.696 ( -3.282 -5.424 1.867) 6.609 67.160 ( 7.771 6.613 -10.851) 14.895 68.329 ( -16.177 -3.333 0.531) 16.525 ======================= Grid point 341 (134/171) ======================= q-point: ( 0.80 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -5.531 6.993 -0.081) 8.917 2.166 ( -1.896 -6.818 -5.042) 8.689 2.643 ( -7.590 3.331 7.894) 11.447 2.852 ( 12.614 0.690 7.788) 14.840 3.251 ( 8.109 6.850 -1.185) 10.681 3.387 ( 13.155 13.004 0.690) 18.510 3.528 ( 6.214 3.990 -11.820) 13.937 3.610 ( -4.888 -8.687 0.105) 9.969 3.924 ( 0.874 -11.645 8.710) 14.568 4.152 ( 5.384 -1.142 8.831) 10.406 4.561 ( -0.561 1.530 -4.603) 4.883 4.603 ( 4.954 -1.759 -1.901) 5.591 4.874 ( -5.906 5.233 -2.154) 8.180 5.016 ( -4.051 -5.677 -0.662) 7.006 5.181 ( -4.787 7.743 -1.099) 9.169 5.206 ( 5.253 -0.225 1.380) 5.436 5.366 ( -4.601 -2.177 1.901) 5.434 5.524 ( 0.433 -3.760 -3.973) 5.488 5.951 ( -3.366 -2.565 -4.221) 5.977 6.172 ( -0.181 10.107 2.648) 10.449 6.407 ( 0.810 -7.336 3.492) 8.165 6.536 ( -11.089 4.010 -2.417) 12.037 6.837 ( 0.697 -1.829 -2.311) 3.029 6.988 ( 4.501 2.748 0.603) 5.308 7.084 ( -0.523 -7.418 -2.267) 7.774 7.954 ( -1.220 0.083 3.389) 3.603 18.978 ( 0.417 0.046 0.317) 0.526 18.998 ( 0.062 0.006 0.526) 0.529 19.047 ( 1.899 3.247 0.050) 3.762 19.115 ( 2.005 -3.687 0.133) 4.199 19.254 ( -1.503 2.737 -0.272) 3.135 19.273 ( 0.486 -0.013 -0.412) 0.637 19.291 ( -0.826 -0.653 -0.239) 1.080 19.344 ( -0.877 -1.405 0.108) 1.659 42.294 ( -1.157 1.110 0.381) 1.648 42.330 ( -1.730 -1.422 0.538) 2.303 42.477 ( 1.622 1.350 -0.615) 2.198 42.503 ( 1.583 -0.683 -0.827) 1.912 66.175 ( -0.569 4.217 -1.136) 4.405 66.610 ( 9.573 -6.402 2.606) 11.807 67.103 ( -5.412 4.751 -10.397) 12.648 68.575 ( -13.644 -1.358 3.637) 14.186 ======================= Grid point 342 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 11.406 0.000 -4.383) 12.219 2.226 ( -6.578 -0.000 1.692) 6.792 2.756 ( 10.400 -0.000 13.453) 17.005 2.785 ( 4.373 -0.000 9.329) 10.303 3.074 ( 11.101 -0.000 2.019) 11.283 3.284 ( -3.712 0.000 -18.189) 18.564 3.295 ( 6.181 0.000 -13.988) 15.293 3.668 ( -1.076 -0.000 4.829) 4.948 3.947 ( -0.079 -0.000 8.548) 8.548 3.959 ( 17.692 -0.000 0.313) 17.695 4.495 ( 0.640 0.000 -6.422) 6.454 4.646 ( -0.734 -0.000 8.156) 8.189 4.913 ( 1.943 0.000 -4.466) 4.871 4.926 ( 14.334 -0.000 0.128) 14.335 5.162 ( -6.782 -0.000 1.594) 6.967 5.401 ( -9.539 0.000 0.137) 9.540 5.461 ( -0.627 0.000 -1.628) 1.745 5.473 ( -8.649 0.000 -0.974) 8.703 5.927 ( 2.357 0.000 -1.676) 2.892 6.289 ( -7.310 0.000 0.181) 7.312 6.410 ( 0.637 -0.000 7.907) 7.933 6.702 ( -6.106 0.000 -1.316) 6.246 6.768 ( -1.615 0.000 -7.595) 7.765 6.983 ( -3.968 -0.000 1.468) 4.231 7.094 ( -2.936 0.000 -0.273) 2.948 8.013 ( -2.277 -0.000 3.158) 3.893 18.971 ( 0.613 -0.000 0.037) 0.614 19.001 ( 0.107 -0.000 0.351) 0.367 19.035 ( 1.919 -0.000 0.008) 1.919 19.064 ( 1.672 -0.000 0.065) 1.673 19.262 ( 0.362 0.000 -0.242) 0.435 19.284 ( -0.863 0.000 -0.154) 0.876 19.307 ( -1.430 0.000 -0.164) 1.439 19.349 ( -0.645 -0.000 0.126) 0.657 42.339 ( -2.719 -0.000 0.121) 2.721 42.357 ( -2.164 -0.000 0.234) 2.177 42.444 ( 2.763 0.000 -0.264) 2.776 42.445 ( 3.788 0.000 -0.349) 3.804 66.236 ( -4.644 0.000 -0.410) 4.662 66.392 ( 12.708 -0.000 0.521) 12.719 67.169 ( -7.360 0.000 -6.139) 9.585 68.801 ( -10.334 -0.000 4.009) 11.084 ======================= Grid point 343 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 12.611 -0.000 -0.000) 12.611 2.243 ( -8.009 0.000 0.000) 8.009 2.956 ( 21.064 -0.000 -0.000) 21.064 2.976 ( 14.374 -0.000 -0.000) 14.374 3.028 ( -15.951 0.000 0.000) 15.951 3.062 ( 2.223 -0.000 -0.000) 2.223 3.098 ( 8.506 -0.000 -0.000) 8.506 3.730 ( -2.162 0.000 0.000) 2.162 3.950 ( 20.689 -0.000 -0.000) 20.689 4.034 ( 1.362 -0.000 -0.000) 1.362 4.426 ( -0.491 0.000 0.000) 0.491 4.758 ( -5.441 0.000 0.000) 5.441 4.837 ( 6.041 -0.000 -0.000) 6.041 4.928 ( 14.878 -0.000 -0.000) 14.878 5.178 ( -7.997 0.000 0.000) 7.997 5.401 ( -9.217 0.000 0.000) 9.217 5.444 ( 0.273 -0.000 -0.000) 0.273 5.464 ( -9.985 0.000 0.000) 9.985 5.912 ( 1.503 -0.000 -0.000) 1.503 6.290 ( -7.084 0.000 0.000) 7.084 6.507 ( -1.291 0.000 0.000) 1.291 6.663 ( 3.541 -0.000 -0.000) 3.541 6.699 ( -9.676 0.000 0.000) 9.676 6.999 ( -4.280 0.000 0.000) 4.280 7.091 ( -2.863 0.000 0.000) 2.863 8.041 ( -2.546 0.000 0.000) 2.546 18.971 ( 0.706 -0.000 -0.000) 0.706 19.004 ( 0.116 -0.000 -0.000) 0.116 19.035 ( 1.919 -0.000 -0.000) 1.919 19.064 ( 1.742 -0.000 -0.000) 1.742 19.260 ( 0.337 -0.000 -0.000) 0.337 19.283 ( -0.919 0.000 0.000) 0.919 19.306 ( -1.453 0.000 0.000) 1.453 19.351 ( -0.642 0.000 0.000) 0.642 42.340 ( -2.625 0.000 0.000) 2.625 42.359 ( -2.053 0.000 0.000) 2.053 42.441 ( 3.027 -0.000 -0.000) 3.027 42.442 ( 3.207 0.000 -0.000) 3.207 66.232 ( -5.092 0.000 0.000) 5.092 66.397 ( 13.167 -0.000 -0.000) 13.167 67.116 ( -7.774 0.000 0.000) 7.774 68.836 ( -11.084 0.000 0.000) 11.084 ======================= Grid point 349 (137/171) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.000 9.264 9.364) 13.172 1.802 ( 0.000 18.328 9.107) 20.466 2.629 ( -0.000 5.707 -8.070) 9.884 2.669 ( -0.000 -1.309 -11.193) 11.269 3.038 ( -0.000 -2.945 -1.668) 3.384 3.060 ( 0.000 28.244 7.977) 29.349 3.194 ( -0.000 18.182 15.609) 23.963 4.048 ( 0.000 -9.880 7.651) 12.496 4.272 ( -0.000 7.203 -8.709) 11.302 4.358 ( 0.000 11.238 6.084) 12.779 4.633 ( 0.000 -1.046 4.813) 4.925 4.734 ( 0.000 -9.704 -1.641) 9.842 4.745 ( 0.000 -1.586 4.630) 4.895 5.056 ( 0.000 -6.253 -6.183) 8.793 5.113 ( -0.000 -4.512 -3.819) 5.911 5.291 ( 0.000 -7.364 -5.075) 8.944 5.431 ( 0.000 -2.344 -1.265) 2.664 5.461 ( -0.000 -0.857 -0.087) 0.861 5.802 ( -0.000 10.394 3.592) 10.997 5.949 ( 0.000 4.243 -5.040) 6.589 6.030 ( -0.000 3.169 -3.645) 4.830 6.496 ( -0.000 2.292 -10.297) 10.549 6.950 ( -0.000 -10.663 7.123) 12.824 7.067 ( -0.000 -1.871 6.460) 6.726 7.784 ( 0.000 -3.939 -0.422) 3.961 7.915 ( 0.000 -11.025 -5.062) 12.132 18.967 ( -0.000 0.545 1.138) 1.262 19.007 ( 0.000 -0.233 0.372) 0.439 19.035 ( -0.000 3.676 0.479) 3.707 19.088 ( 0.000 2.861 -0.991) 3.028 19.279 ( -0.000 -0.779 -0.007) 0.779 19.302 ( -0.000 -1.769 -0.484) 1.833 19.307 ( 0.000 -1.783 0.423) 1.832 19.339 ( 0.000 -1.408 -0.425) 1.471 42.352 ( -0.000 0.939 0.285) 0.981 42.361 ( 0.000 0.918 0.008) 0.918 42.417 ( -0.000 -0.790 0.142) 0.803 42.423 ( -0.000 -0.743 -0.226) 0.777 66.070 ( 0.000 9.665 5.048) 10.904 66.554 ( -0.000 1.022 -8.267) 8.330 67.424 ( 0.000 4.954 3.673) 6.167 67.891 ( -0.000 0.677 -12.360) 12.378 ======================= Grid point 350 (138/171) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -3.694 6.712 6.050) 9.762 2.131 ( -12.086 12.133 8.357) 19.056 2.337 ( 5.403 -8.511 -13.365) 16.741 2.806 ( -18.458 -2.197 -11.773) 22.003 3.083 ( 6.496 13.231 6.722) 16.201 3.329 ( -0.164 18.121 2.984) 18.366 3.496 ( -0.409 17.152 14.139) 22.233 3.981 ( 8.451 -5.390 10.021) 14.173 4.192 ( 5.550 1.433 -5.748) 8.118 4.386 ( 12.259 1.808 4.615) 13.223 4.561 ( 2.229 -4.151 -2.248) 5.221 4.730 ( -5.365 -6.629 -1.342) 8.633 4.788 ( -1.530 0.626 3.548) 3.914 4.924 ( -0.117 -3.885 -2.603) 4.678 5.049 ( 1.381 -2.461 -5.521) 6.200 5.222 ( -4.676 -4.465 -2.418) 6.903 5.384 ( 4.160 0.848 0.908) 4.342 5.516 ( -5.719 -2.123 -2.338) 6.533 5.862 ( 0.276 3.658 -2.691) 4.550 6.034 ( -3.542 6.761 1.892) 7.864 6.084 ( -6.252 5.120 -2.698) 8.519 6.450 ( -1.097 2.811 -7.750) 8.317 6.923 ( -0.652 -9.957 6.097) 11.694 7.075 ( 0.496 -4.672 3.415) 5.808 7.549 ( 14.942 -6.694 -3.209) 16.684 7.905 ( -5.225 -4.625 -0.964) 7.044 18.981 ( 0.052 0.455 1.013) 1.112 19.006 ( 0.119 -0.374 0.288) 0.487 19.049 ( 1.935 3.614 0.182) 4.104 19.131 ( -2.002 3.658 -0.528) 4.203 19.246 ( 1.714 -3.233 0.021) 3.660 19.286 ( -0.114 -0.632 -0.147) 0.659 19.296 ( 0.204 -0.941 -0.216) 0.987 19.336 ( -1.136 -1.552 -0.190) 1.932 42.327 ( 1.629 -0.048 0.354) 1.667 42.351 ( 3.343 -0.904 0.392) 3.485 42.418 ( -3.036 1.515 -0.163) 3.397 42.471 ( -2.988 0.019 -0.581) 3.044 66.153 ( 3.735 7.476 2.796) 8.813 66.577 ( -8.105 1.837 -4.600) 9.498 67.287 ( 16.291 2.249 -2.635) 16.655 68.029 ( -19.940 -0.580 -4.235) 20.393 ======================= Grid point 351 (139/171) ======================= q-point: ( 0.80 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -6.946 3.387 2.630) 8.163 2.141 ( -0.751 -5.370 -7.800) 9.500 2.488 ( -15.110 1.120 5.983) 16.290 3.004 ( -9.927 1.130 -1.573) 10.114 3.130 ( 8.443 18.761 2.622) 20.739 3.401 ( 1.547 5.432 -6.476) 8.593 3.640 ( 10.216 6.247 8.134) 14.476 3.809 ( 18.848 2.060 4.488) 19.484 4.100 ( 1.577 -3.298 4.945) 6.149 4.265 ( 2.816 -3.933 6.156) 7.829 4.491 ( -0.742 -0.402 -5.271) 5.338 4.718 ( 0.367 -4.435 -3.347) 5.568 4.759 ( 3.018 -1.751 -0.413) 3.514 4.944 ( -7.318 -5.468 -2.983) 9.610 5.033 ( -6.228 0.516 -1.394) 6.403 5.300 ( -1.289 3.466 2.547) 4.490 5.340 ( 3.470 2.702 1.732) 4.727 5.516 ( -1.386 -4.107 -4.519) 6.262 5.869 ( -4.244 -2.587 -3.468) 6.061 6.134 ( 2.467 10.331 3.870) 11.304 6.273 ( -12.087 5.039 -2.468) 13.326 6.445 ( -1.399 1.569 -2.811) 3.510 6.884 ( 0.792 -8.717 2.202) 9.026 7.047 ( -1.127 -5.854 1.257) 6.092 7.224 ( 13.740 -4.373 -2.654) 14.661 7.945 ( -2.668 -0.900 0.915) 2.960 18.988 ( 0.357 0.128 0.548) 0.666 19.004 ( 0.118 -0.079 0.296) 0.329 19.049 ( 1.963 3.521 0.060) 4.031 19.183 ( 2.021 -3.710 0.071) 4.225 19.194 ( -1.927 3.574 -0.269) 4.070 19.280 ( 0.583 -0.036 -0.198) 0.617 19.285 ( -0.580 -1.141 -0.246) 1.304 19.341 ( -1.146 -1.577 -0.008) 1.950 42.296 ( 1.576 -0.062 0.327) 1.611 42.327 ( -0.285 -0.798 0.445) 0.957 42.465 ( -1.101 1.361 -0.364) 1.788 42.502 ( -1.060 0.220 -0.646) 1.261 66.151 ( 2.840 4.169 -0.039) 5.045 66.726 ( -7.114 1.308 1.577) 7.403 67.005 ( 12.196 0.503 -6.871) 14.008 68.335 ( -18.917 -0.880 0.190) 18.938 ======================= Grid point 352 (140/171) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -5.594 1.609 1.606) 6.038 2.093 ( -4.153 -3.064 -3.487) 6.228 2.759 ( -13.825 -1.957 4.795) 14.763 3.035 ( 10.163 2.707 13.097) 16.798 3.165 ( 8.955 15.138 -5.460) 18.416 3.281 ( 6.732 2.871 -15.033) 16.720 3.398 ( 24.915 4.727 0.882) 25.374 3.673 ( -4.447 -9.385 3.172) 10.859 4.086 ( 2.581 -8.885 7.964) 12.208 4.230 ( 10.743 3.725 0.557) 11.384 4.452 ( 1.085 -2.315 -5.343) 5.923 4.645 ( -1.566 1.791 4.339) 4.949 4.819 ( -8.753 0.659 -3.750) 9.545 5.004 ( -7.252 -4.615 -0.507) 8.611 5.178 ( -6.369 6.648 0.479) 9.219 5.217 ( 9.527 0.429 0.026) 9.537 5.401 ( -2.849 -1.202 2.399) 3.914 5.455 ( -0.911 -3.041 -3.735) 4.902 5.900 ( -4.654 -2.888 -1.608) 5.708 6.206 ( 0.580 7.382 1.119) 7.489 6.456 ( -4.215 -0.701 1.576) 4.555 6.515 ( -8.567 5.218 -0.016) 10.031 6.770 ( 3.119 -6.750 -3.288) 8.130 7.015 ( 6.160 0.327 1.326) 6.310 7.060 ( -3.199 -5.030 -0.777) 6.011 7.993 ( -2.165 0.606 1.158) 2.529 18.982 ( 0.613 -0.040 0.124) 0.626 19.005 ( 0.107 0.061 0.216) 0.248 19.047 ( 1.943 3.270 0.011) 3.804 19.117 ( 1.998 -3.659 0.048) 4.170 19.251 ( -1.572 2.787 -0.103) 3.202 19.268 ( 0.512 -0.080 -0.161) 0.542 19.288 ( -0.916 -0.757 -0.093) 1.192 19.345 ( -0.906 -1.315 0.038) 1.597 42.298 ( -1.045 1.101 0.153) 1.526 42.337 ( -1.588 -1.389 0.210) 2.121 42.469 ( 1.445 1.094 -0.239) 1.828 42.493 ( 1.539 -0.409 -0.306) 1.621 66.162 ( -0.938 3.266 -0.388) 3.420 66.647 ( 13.184 -5.616 1.366) 14.395 66.974 ( -8.664 4.158 -4.162) 10.472 68.617 ( -15.117 -0.453 1.196) 15.171 ======================= Grid point 360 (141/171) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -0.000 0.110 14.403) 14.404 1.976 ( -0.000 12.040 10.724) 16.123 2.382 ( -0.000 -3.938 -17.153) 17.599 2.455 ( -0.000 3.206 -13.209) 13.592 3.096 ( -0.000 10.030 5.320) 11.354 3.163 ( -0.000 21.535 3.340) 21.792 3.491 ( -0.000 15.294 18.364) 23.898 4.072 ( -0.000 10.986 -13.889) 17.709 4.197 ( 0.000 -3.345 9.252) 9.838 4.422 ( 0.000 13.572 0.469) 13.581 4.692 ( -0.000 -13.021 -2.389) 13.239 4.701 ( 0.000 -3.806 1.521) 4.099 4.799 ( 0.000 -2.038 3.118) 3.725 4.959 ( 0.000 -5.046 -5.157) 7.215 5.094 ( -0.000 -8.364 1.459) 8.490 5.208 ( -0.000 -9.197 -4.444) 10.214 5.418 ( 0.000 -0.118 -0.094) 0.151 5.451 ( -0.000 0.976 -1.122) 1.487 5.835 ( 0.000 7.224 0.203) 7.226 5.876 ( 0.000 4.087 -3.326) 5.269 6.038 ( -0.000 4.869 4.643) 6.727 6.320 ( -0.000 4.996 -10.082) 11.252 7.063 ( -0.000 -10.020 5.849) 11.602 7.143 ( -0.000 -4.278 2.159) 4.791 7.780 ( 0.000 -4.816 0.025) 4.816 7.837 ( 0.000 -9.393 -3.806) 10.134 18.987 ( -0.000 0.453 1.065) 1.158 19.009 ( 0.000 0.091 -0.145) 0.171 19.045 ( 0.000 3.565 0.620) 3.618 19.072 ( 0.000 3.090 -0.936) 3.229 19.280 ( -0.000 -1.117 0.200) 1.134 19.293 ( -0.000 -1.631 -0.488) 1.702 19.315 ( 0.000 -1.750 0.475) 1.814 19.332 ( 0.000 -1.548 -0.490) 1.624 42.356 ( -0.000 0.943 0.230) 0.971 42.361 ( -0.000 0.922 -0.038) 0.922 42.419 ( -0.000 -0.770 0.089) 0.775 42.421 ( -0.000 -0.755 -0.085) 0.760 66.166 ( 0.000 8.274 6.190) 10.333 66.413 ( 0.000 4.086 -8.102) 9.073 67.493 ( 0.000 2.843 4.470) 5.297 67.709 ( -0.000 1.667 -8.907) 9.062 ======================= Grid point 361 (142/171) ======================= q-point: ( 0.80 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -1.138 -1.371 7.959) 8.156 2.117 ( 1.396 -6.048 -10.840) 12.491 2.272 ( -13.065 4.398 6.771) 15.359 2.621 ( -19.293 5.308 -8.149) 21.605 3.181 ( 7.571 15.557 3.715) 17.696 3.347 ( 1.460 13.810 -0.269) 13.890 3.740 ( 3.447 11.654 12.811) 17.659 4.036 ( 1.311 11.501 -8.994) 14.659 4.153 ( 14.173 1.926 6.205) 15.591 4.415 ( 3.746 -0.847 -0.337) 3.856 4.517 ( 3.717 -10.698 -2.735) 11.651 4.757 ( -3.156 -7.780 4.782) 9.662 4.837 ( -2.779 -1.271 1.159) 3.268 4.861 ( 1.095 -6.417 -4.377) 7.845 4.967 ( 0.242 -3.800 -3.094) 4.907 5.201 ( -6.873 -2.304 -0.435) 7.262 5.413 ( 2.799 1.995 2.216) 4.089 5.471 ( -1.891 0.100 -2.677) 3.279 5.819 ( 0.147 0.722 -1.575) 1.738 6.024 ( -10.215 5.463 -1.205) 11.646 6.132 ( 2.241 7.983 4.868) 9.615 6.323 ( -3.283 6.258 -6.163) 9.376 7.019 ( 0.313 -10.840 4.723) 11.829 7.091 ( -0.676 -8.008 -1.304) 8.141 7.509 ( 16.173 -5.812 -1.228) 17.229 7.893 ( -6.255 -3.272 -0.346) 7.068 18.996 ( 0.199 0.193 0.691) 0.745 19.007 ( 0.069 0.004 -0.197) 0.209 19.052 ( 2.072 3.552 0.076) 4.112 19.125 ( -2.159 3.804 -0.204) 4.379 19.246 ( 1.695 -3.195 0.011) 3.617 19.284 ( -0.516 -1.176 -0.071) 1.286 19.294 ( 0.811 -0.559 -0.070) 0.987 19.333 ( -1.372 -1.615 -0.076) 2.121 42.332 ( 1.550 -0.030 0.141) 1.557 42.356 ( 3.107 -0.839 0.154) 3.221 42.416 ( -2.843 1.417 -0.063) 3.177 42.464 ( -2.557 0.085 -0.205) 2.567 66.193 ( 6.132 4.865 1.488) 7.968 66.513 ( -10.197 6.589 -2.301) 12.357 67.256 ( 18.505 -1.040 -0.935) 18.558 67.982 ( -22.837 1.121 -1.367) 22.905 ======================= Grid point 362 (143/171) ======================= q-point: ( 0.90 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -7.443 -2.920 0.000) 7.995 2.057 ( -2.039 -1.161 0.000) 2.347 2.548 ( -16.680 -3.803 0.000) 17.107 2.970 ( -14.410 12.018 0.000) 18.764 3.193 ( 8.705 13.885 -0.000) 16.388 3.315 ( 10.456 5.097 -0.000) 11.632 3.717 ( 9.758 -0.247 -0.000) 9.761 3.848 ( 23.048 2.857 -0.000) 23.225 4.162 ( -2.295 14.460 -0.000) 14.641 4.306 ( 5.164 -13.325 -0.000) 14.291 4.444 ( -4.195 -2.424 0.000) 4.845 4.694 ( -2.263 -4.507 0.000) 5.043 4.747 ( 7.528 -3.734 -0.000) 8.403 4.907 ( -8.796 -5.869 0.000) 10.574 5.026 ( -7.821 -0.193 0.000) 7.823 5.325 ( -5.383 4.362 0.000) 6.929 5.367 ( 7.279 2.166 -0.000) 7.594 5.463 ( -0.434 -2.587 0.000) 2.623 5.838 ( -4.412 -3.093 0.000) 5.388 6.175 ( 3.444 9.529 -0.000) 10.133 6.252 ( -12.277 4.881 0.000) 13.211 6.413 ( -3.122 5.752 0.000) 6.545 6.909 ( 2.917 -12.559 0.000) 12.893 7.050 ( -3.465 -7.746 0.000) 8.485 7.205 ( 14.743 -1.796 -0.000) 14.852 7.953 ( -3.204 -0.400 0.000) 3.229 18.993 ( 0.515 -0.068 -0.000) 0.519 19.007 ( 0.053 0.134 -0.000) 0.144 19.050 ( 1.989 3.526 -0.000) 4.048 19.184 ( 2.055 -3.787 -0.000) 4.309 19.192 ( -1.996 3.699 0.000) 4.203 19.278 ( 0.661 -0.199 -0.000) 0.690 19.283 ( -0.657 -1.064 0.000) 1.250 19.340 ( -1.191 -1.564 0.000) 1.966 42.299 ( 1.566 -0.044 -0.000) 1.566 42.331 ( -0.291 -0.778 0.000) 0.831 42.462 ( -1.049 1.246 0.000) 1.629 42.496 ( -0.953 0.336 0.000) 1.011 66.151 ( 3.102 3.208 -0.000) 4.463 66.742 ( -10.677 6.718 0.000) 12.614 66.942 ( 15.933 -4.469 -0.000) 16.548 68.337 ( -19.847 -0.139 0.000) 19.848 ======================= Grid point 372 (144/171) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 0.000 -4.760 -13.236) 14.066 2.016 ( -0.000 -4.760 13.236) 14.066 2.244 ( 0.000 7.822 -8.253) 11.370 2.244 ( 0.000 7.822 8.253) 11.370 3.169 ( 0.000 15.459 -1.958) 15.582 3.169 ( 0.000 15.459 1.958) 15.582 3.801 ( 0.000 13.042 -17.348) 21.703 3.801 ( -0.000 13.042 17.348) 21.704 4.353 ( 0.000 6.168 -7.404) 9.636 4.353 ( -0.000 6.168 7.404) 9.636 4.687 ( 0.000 -7.745 -0.910) 7.798 4.687 ( 0.000 -7.745 0.910) 7.798 4.874 ( 0.000 -4.106 -4.919) 6.407 4.874 ( -0.000 -4.106 4.919) 6.407 5.141 ( -0.000 -9.974 -2.744) 10.345 5.141 ( -0.000 -9.974 2.744) 10.345 5.429 ( 0.000 1.507 -1.159) 1.901 5.429 ( -0.000 1.507 1.159) 1.901 5.839 ( 0.000 4.697 -0.469) 4.720 5.839 ( 0.000 4.697 0.469) 4.720 6.158 ( 0.000 5.970 -8.558) 10.434 6.158 ( -0.000 5.970 8.558) 10.434 7.138 ( 0.000 -7.618 -2.611) 8.053 7.138 ( -0.000 -7.618 2.611) 8.053 7.791 ( -0.000 -6.822 -0.572) 6.846 7.791 ( -0.000 -6.822 0.572) 6.846 19.002 ( 0.000 0.306 -0.694) 0.759 19.002 ( -0.000 0.306 0.694) 0.759 19.057 ( 0.000 3.366 -0.586) 3.417 19.057 ( 0.000 3.366 0.586) 3.417 19.285 ( -0.000 -1.415 -0.345) 1.456 19.285 ( -0.000 -1.415 0.345) 1.456 19.323 ( 0.000 -1.671 -0.351) 1.708 19.323 ( 0.000 -1.671 0.351) 1.708 42.359 ( 0.000 0.934 -0.021) 0.934 42.359 ( 0.000 0.934 0.021) 0.934 42.420 ( 0.000 -0.762 -0.002) 0.762 42.420 ( 0.000 -0.762 0.002) 0.762 66.281 ( 0.000 6.439 -6.770) 9.343 66.281 ( -0.000 6.439 6.770) 9.343 67.582 ( 0.000 1.969 -3.960) 4.422 67.582 ( 0.000 1.969 3.960) 4.422 ======================= Grid point 390 (145/171) ======================= q-point: ( 0.40 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -4.436 -0.000 5.653) 7.185 2.295 ( 7.912 0.000 4.308) 9.009 2.419 ( 17.189 -0.000 -1.903) 17.294 2.506 ( -7.548 -0.000 -4.891) 8.995 2.975 ( 9.003 -0.000 3.109) 9.524 3.175 ( -3.733 0.000 -3.641) 5.215 3.426 ( -4.000 0.000 -7.520) 8.518 3.440 ( 4.016 -0.000 -12.094) 12.743 4.274 ( -0.347 0.000 12.644) 12.649 4.290 ( -3.769 -0.000 14.169) 14.661 4.561 ( 10.558 -0.000 4.096) 11.325 4.671 ( 3.032 0.000 1.010) 3.196 4.828 ( 9.393 -0.000 -5.758) 11.017 4.910 ( 0.672 -0.000 -5.284) 5.327 5.207 ( -7.519 -0.000 2.259) 7.851 5.340 ( -12.804 0.000 -6.197) 14.224 5.374 ( -0.117 -0.000 2.687) 2.690 5.497 ( 5.661 -0.000 -2.378) 6.140 6.104 ( 6.071 0.000 3.764) 7.143 6.151 ( 3.164 -0.000 -0.764) 3.255 6.305 ( -7.126 -0.000 2.505) 7.553 6.527 ( -2.796 -0.000 -8.651) 9.092 6.933 ( -7.281 -0.000 4.072) 8.342 7.057 ( -4.816 -0.000 -2.564) 5.456 7.324 ( 0.663 -0.000 10.149) 10.171 7.663 ( 0.180 -0.000 -9.395) 9.397 18.971 ( -0.161 0.000 0.088) 0.184 18.978 ( -0.213 -0.000 -0.350) 0.410 19.039 ( 1.795 -0.000 0.224) 1.809 19.050 ( 1.551 0.000 -0.403) 1.602 19.283 ( 0.302 -0.000 0.420) 0.517 19.292 ( -0.181 0.000 -0.036) 0.184 19.323 ( -1.128 -0.000 0.380) 1.190 19.336 ( -0.822 0.000 -0.350) 0.894 42.333 ( -3.354 -0.000 -0.002) 3.354 42.338 ( -3.160 -0.000 -0.324) 3.177 42.468 ( 4.469 0.000 0.405) 4.487 42.470 ( 4.667 -0.000 0.298) 4.676 66.285 ( 1.208 -0.000 1.379) 1.833 66.335 ( 6.825 0.000 -1.490) 6.985 67.809 ( -3.797 -0.000 15.964) 16.410 68.330 ( -4.301 -0.000 -13.622) 14.285 ======================= Grid point 402 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -5.159 18.350 3.826) 19.441 2.263 ( -2.394 15.025 -5.360) 16.131 2.568 ( 5.321 -13.339 10.071) 17.541 2.721 ( 9.870 -14.843 -6.702) 19.043 2.993 ( 1.829 17.181 -2.109) 17.407 3.187 ( 8.124 9.696 2.060) 12.816 3.313 ( 3.245 -8.716 -6.729) 11.480 3.507 ( -0.443 -15.563 -4.980) 16.346 4.145 ( -13.138 16.138 5.223) 21.456 4.382 ( -8.652 -10.293 9.421) 16.418 4.682 ( -0.404 1.566 -0.001) 1.618 4.697 ( 1.928 0.814 -2.390) 3.176 4.910 ( 6.460 2.184 0.603) 6.846 4.961 ( 7.426 -0.032 -4.138) 8.501 5.038 ( -8.683 3.327 0.711) 9.326 5.125 ( -1.025 -0.153 -2.685) 2.879 5.431 ( 1.780 4.768 2.300) 5.584 5.601 ( 3.076 -8.909 -0.509) 9.439 6.071 ( -0.045 12.652 -0.373) 12.657 6.295 ( -0.674 -2.668 8.399) 8.839 6.303 ( 2.798 -13.205 -0.028) 13.498 6.452 ( 1.481 -2.033 -9.260) 9.595 6.799 ( -8.310 6.985 2.797) 11.211 6.964 ( -7.308 -6.167 -1.920) 9.754 7.434 ( 5.834 5.554 6.482) 10.339 7.659 ( 4.145 -7.347 -5.714) 10.189 18.963 ( -0.370 0.614 -0.109) 0.725 18.974 ( -0.317 -0.588 -0.168) 0.689 19.043 ( 1.845 3.453 -0.033) 3.915 19.108 ( 2.127 -3.907 -0.057) 4.449 19.269 ( -1.299 2.568 0.106) 2.880 19.296 ( 0.067 -0.608 0.234) 0.655 19.301 ( -0.002 1.059 0.009) 1.059 19.337 ( -0.879 -2.258 -0.063) 2.424 42.276 ( -1.521 1.310 -0.122) 2.011 42.303 ( -2.353 -1.740 -0.197) 2.933 42.509 ( 2.159 2.470 0.237) 3.290 42.549 ( 1.979 -1.967 0.359) 2.813 66.256 ( 1.986 11.287 0.882) 11.494 66.485 ( 3.283 -12.842 -1.100) 13.300 67.780 ( -3.170 18.519 8.910) 20.794 68.227 ( -5.440 -16.787 -6.517) 18.811 ======================= Grid point 403 (147/171) ======================= q-point: ( 0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 7.892 -17.578 -0.000) 19.269 2.355 ( 7.892 17.578 -0.000) 19.269 2.415 ( -1.171 -17.936 0.000) 17.975 2.415 ( -1.171 17.936 -0.000) 17.975 3.080 ( 2.992 -10.938 0.000) 11.339 3.080 ( 2.992 10.938 -0.000) 11.339 3.340 ( -1.774 -22.204 0.000) 22.275 3.340 ( -1.774 22.204 -0.000) 22.275 4.408 ( -0.669 -8.801 0.000) 8.827 4.408 ( -0.669 8.801 -0.000) 8.827 4.653 ( 4.877 -0.151 0.000) 4.880 4.653 ( 4.877 0.151 -0.000) 4.880 4.799 ( 5.752 -2.149 0.000) 6.141 4.799 ( 5.752 2.149 -0.000) 6.141 5.251 ( -12.003 -0.385 0.000) 12.009 5.251 ( -12.003 0.385 0.000) 12.009 5.439 ( 4.998 -6.116 0.000) 7.899 5.439 ( 4.998 6.116 -0.000) 7.899 6.143 ( 3.923 -10.648 -0.000) 11.348 6.143 ( 3.923 10.648 -0.000) 11.348 6.388 ( -4.215 -0.015 0.000) 4.215 6.388 ( -4.215 0.015 0.000) 4.215 7.002 ( -6.085 -6.759 0.000) 9.094 7.002 ( -6.085 6.759 0.000) 9.094 7.497 ( 0.647 -5.477 0.000) 5.515 7.497 ( 0.647 5.477 0.000) 5.515 18.973 ( -0.259 -0.544 0.000) 0.602 18.973 ( -0.259 0.544 0.000) 0.602 19.044 ( 1.671 -3.341 -0.000) 3.736 19.044 ( 1.671 3.341 -0.000) 3.736 19.289 ( 0.097 -0.564 0.000) 0.572 19.289 ( 0.097 0.564 0.000) 0.572 19.330 ( -0.974 -2.668 0.000) 2.840 19.330 ( -0.974 2.668 0.000) 2.840 42.334 ( -3.349 -2.045 0.000) 3.924 42.334 ( -3.349 2.045 0.000) 3.924 42.472 ( 4.717 -2.564 -0.000) 5.369 42.472 ( 4.717 2.564 -0.000) 5.369 66.309 ( 4.017 -11.569 -0.000) 12.246 66.309 ( 4.017 11.569 -0.000) 12.246 68.080 ( -3.495 -15.826 0.000) 16.207 68.080 ( -3.495 15.826 0.000) 16.207 ======================= Grid point 413 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -4.621 22.746 -0.000) 23.210 2.060 ( -3.261 17.076 -0.000) 17.384 2.711 ( -1.950 10.556 -0.000) 10.735 2.872 ( 2.967 -12.821 0.000) 13.160 2.965 ( 6.442 2.297 -0.000) 6.839 3.255 ( 10.538 5.540 -0.000) 11.905 3.459 ( 0.460 -14.747 0.000) 14.754 3.675 ( 12.187 -8.587 -0.000) 14.909 3.705 ( -19.551 24.151 0.000) 31.073 4.339 ( -10.361 -11.187 0.000) 15.247 4.631 ( -2.223 4.473 0.000) 4.995 4.677 ( 0.688 2.498 -0.000) 2.591 4.825 ( -4.591 7.929 0.000) 9.162 5.033 ( 5.589 6.595 -0.000) 8.645 5.066 ( 5.018 -7.100 -0.000) 8.694 5.248 ( 9.315 -3.379 -0.000) 9.909 5.413 ( -0.655 0.896 0.000) 1.110 5.666 ( -4.185 -5.961 0.000) 7.284 5.946 ( -1.337 11.380 -0.000) 11.459 6.387 ( -1.431 -1.511 0.000) 2.082 6.418 ( 0.586 -11.320 0.000) 11.336 6.484 ( 4.192 -7.301 -0.000) 8.419 6.602 ( -8.156 8.647 0.000) 11.887 6.897 ( -6.693 -6.812 0.000) 9.550 7.537 ( 9.825 4.424 -0.000) 10.776 7.802 ( 4.950 -10.493 -0.000) 11.602 18.950 ( -0.377 0.656 0.000) 0.757 18.974 ( -0.246 -0.680 0.000) 0.724 19.043 ( 1.915 3.598 -0.000) 4.076 19.178 ( 2.213 -3.914 -0.000) 4.497 19.216 ( -1.740 3.304 0.000) 3.734 19.296 ( 0.312 0.958 -0.000) 1.007 19.304 ( -0.369 -1.371 0.000) 1.419 19.341 ( -0.721 -1.794 0.000) 1.934 42.271 ( 1.810 -0.142 -0.000) 1.816 42.291 ( -0.390 -1.086 0.000) 1.154 42.493 ( -1.515 2.415 0.000) 2.851 42.564 ( -2.080 -1.198 0.000) 2.400 66.169 ( -0.406 12.311 -0.000) 12.318 66.632 ( 0.957 -13.638 0.000) 13.672 67.600 ( -0.901 20.206 -0.000) 20.226 68.284 ( -4.611 -18.150 0.000) 18.727 ======================= Grid point 424 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.000 23.828 0.000) 23.828 1.963 ( 0.000 18.810 0.000) 18.810 2.660 ( 0.000 10.500 0.000) 10.500 2.865 ( -0.000 -11.247 -0.000) 11.247 3.091 ( 0.000 2.946 0.000) 2.946 3.338 ( 0.000 33.423 0.000) 33.423 3.481 ( 0.000 9.142 0.000) 9.142 3.495 ( -0.000 -16.617 -0.000) 16.617 4.040 ( -0.000 -3.091 -0.000) 3.091 4.146 ( -0.000 -17.382 -0.000) 17.382 4.550 ( 0.000 7.719 0.000) 7.719 4.672 ( -0.000 -0.720 -0.000) 0.720 4.846 ( 0.000 10.524 0.000) 10.524 5.131 ( -0.000 -9.534 -0.000) 9.534 5.271 ( -0.000 -2.799 -0.000) 2.799 5.365 ( -0.000 -6.710 -0.000) 6.710 5.385 ( 0.000 0.091 0.000) 0.091 5.419 ( -0.000 -2.647 -0.000) 2.647 5.890 ( 0.000 14.019 0.000) 14.019 6.306 ( 0.000 9.017 0.000) 9.017 6.412 ( -0.000 -14.752 -0.000) 14.752 6.500 ( 0.000 7.820 0.000) 7.820 6.592 ( -0.000 -6.248 -0.000) 6.248 6.760 ( -0.000 -6.974 -0.000) 6.974 7.753 ( -0.000 -1.181 -0.000) 1.181 7.897 ( -0.000 -9.357 -0.000) 9.357 18.943 ( 0.000 0.692 0.000) 0.692 18.969 ( -0.000 -0.777 -0.000) 0.777 19.093 ( 0.000 4.217 0.000) 4.217 19.171 ( 0.000 2.964 0.000) 2.964 19.234 ( -0.000 -3.642 -0.000) 3.642 19.275 ( -0.000 -2.746 -0.000) 2.746 19.302 ( 0.000 0.914 0.000) 0.914 19.334 ( -0.000 -0.931 -0.000) 0.931 42.359 ( 0.000 1.012 0.000) 1.012 42.379 ( 0.000 1.153 0.000) 1.153 42.394 ( -0.000 -0.987 -0.000) 0.987 42.421 ( -0.000 -1.148 -0.000) 1.148 66.146 ( 0.000 13.593 0.000) 13.593 66.628 ( -0.000 -13.105 -0.000) 13.105 67.597 ( 0.000 18.097 0.000) 18.097 68.206 ( -0.000 -15.733 -0.000) 15.733 ======================= Grid point 425 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -1.860 18.445 -1.011) 18.566 2.129 ( -3.638 9.050 2.015) 9.959 2.685 ( 1.711 -4.260 -6.853) 8.249 2.813 ( -4.221 -6.421 4.760) 9.039 3.089 ( 3.312 8.523 0.056) 9.144 3.342 ( 1.172 -16.041 1.780) 16.182 3.521 ( 7.962 17.354 -0.668) 19.105 3.678 ( -6.716 22.020 -2.395) 23.145 3.841 ( 12.181 -10.252 5.912) 16.983 4.078 ( -5.304 -16.447 1.314) 17.331 4.634 ( -2.007 4.870 0.883) 5.341 4.687 ( -1.272 -0.082 1.056) 1.655 4.903 ( 2.000 8.715 -0.721) 8.970 5.036 ( 1.603 -7.520 -1.581) 7.849 5.178 ( 5.153 4.585 -0.539) 6.918 5.281 ( 2.627 -6.783 -1.067) 7.352 5.418 ( -1.654 2.075 -0.594) 2.719 5.491 ( -8.346 -5.574 -0.456) 10.047 6.033 ( -1.419 14.007 0.374) 14.084 6.279 ( -0.703 -11.243 -2.748) 11.596 6.376 ( 0.929 -0.127 -2.658) 2.819 6.480 ( -2.052 0.751 -4.248) 4.777 6.621 ( 0.597 2.794 6.080) 6.718 6.753 ( -4.566 -5.873 3.261) 8.122 7.688 ( 6.807 1.512 -3.090) 7.627 7.802 ( 2.625 -6.492 1.487) 7.159 18.952 ( -0.197 0.722 0.252) 0.789 18.965 ( -0.160 -0.760 0.260) 0.819 19.110 ( 1.958 4.049 0.037) 4.498 19.180 ( 2.038 -3.921 0.025) 4.420 19.214 ( -1.720 3.157 -0.140) 3.598 19.267 ( -1.524 -2.791 -0.104) 3.182 19.308 ( 0.182 0.916 -0.102) 0.939 19.325 ( 0.010 -0.993 -0.056) 0.994 42.310 ( 3.067 0.151 0.122) 3.073 42.316 ( 3.915 -0.601 0.165) 3.964 42.460 ( -4.463 1.857 -0.139) 4.836 42.490 ( -4.985 -1.431 -0.202) 5.191 66.273 ( -0.396 13.439 -0.084) 13.445 66.517 ( -0.654 -13.363 0.463) 13.387 67.743 ( 0.557 17.477 -3.564) 17.845 68.076 ( -2.813 -16.281 -0.236) 16.524 ======================= Grid point 426 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -3.483 0.000 -2.584) 4.337 2.271 ( -6.250 -0.000 3.811) 7.320 2.503 ( 4.842 0.000 -10.811) 11.846 2.861 ( 4.525 -0.000 6.524) 7.940 3.133 ( 0.667 -0.000 0.622) 0.912 3.268 ( 0.652 -0.000 7.625) 7.653 3.482 ( 14.095 -0.000 1.580) 14.183 3.551 ( 5.067 -0.000 7.638) 9.166 4.015 ( -9.964 0.000 -5.390) 11.328 4.044 ( -8.451 0.000 -4.770) 9.705 4.681 ( -1.408 -0.000 0.089) 1.411 4.727 ( -0.213 -0.000 2.453) 2.462 4.942 ( 0.750 0.000 -0.889) 1.163 4.948 ( -1.414 0.000 -0.537) 1.513 5.132 ( 5.618 0.000 -0.784) 5.673 5.175 ( 3.630 -0.000 1.866) 4.082 5.461 ( 0.071 0.000 -3.981) 3.981 5.540 ( -4.056 -0.000 0.465) 4.082 6.144 ( -2.287 0.000 -3.370) 4.073 6.208 ( 0.102 -0.000 2.304) 2.306 6.269 ( 3.736 0.000 -5.526) 6.670 6.531 ( -2.107 -0.000 2.658) 3.392 6.680 ( -3.721 0.000 -0.118) 3.723 6.859 ( -6.005 -0.000 5.118) 7.890 7.504 ( 8.980 0.000 -8.614) 12.444 7.756 ( 3.599 -0.000 5.823) 6.845 18.963 ( -0.209 -0.000 0.279) 0.348 18.967 ( -0.324 -0.000 0.512) 0.606 19.107 ( 2.281 0.000 -0.092) 2.283 19.113 ( 2.132 -0.000 0.223) 2.144 19.267 ( -1.539 0.000 -0.202) 1.552 19.267 ( -1.437 0.000 -0.211) 1.453 19.307 ( 0.277 0.000 -0.500) 0.572 19.320 ( -0.133 -0.000 0.246) 0.279 42.276 ( 0.764 -0.000 0.158) 0.780 42.283 ( 0.610 -0.000 0.570) 0.834 42.526 ( -1.764 0.000 -0.731) 1.910 42.532 ( -1.744 0.000 -0.348) 1.778 66.325 ( 1.256 0.000 -3.806) 4.008 66.471 ( 0.271 -0.000 4.616) 4.624 67.728 ( 0.898 0.000 -14.307) 14.335 68.121 ( -7.389 -0.000 8.143) 10.996 ======================= Grid point 436 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 0.000 23.382 -0.761) 23.395 1.981 ( 0.000 18.368 1.916) 18.468 2.697 ( -0.000 6.572 3.559) 7.473 2.821 ( 0.000 -10.146 -4.651) 11.161 3.081 ( 0.000 -0.195 -1.667) 1.679 3.349 ( 0.000 26.015 2.344) 26.121 3.411 ( 0.000 15.660 -5.188) 16.497 3.555 ( -0.000 -12.854 5.521) 13.989 4.131 ( -0.000 -3.359 8.730) 9.354 4.179 ( -0.000 -14.837 3.708) 15.293 4.574 ( -0.000 6.094 2.562) 6.611 4.675 ( -0.000 -0.529 0.308) 0.612 4.825 ( 0.000 10.614 -2.376) 10.876 5.102 ( 0.000 -8.766 -3.186) 9.327 5.241 ( 0.000 -2.597 -3.481) 4.343 5.334 ( 0.000 -6.427 -3.193) 7.177 5.398 ( -0.000 -0.968 1.134) 1.491 5.416 ( -0.000 -2.357 -0.362) 2.385 5.905 ( 0.000 13.737 1.672) 13.839 6.233 ( 0.000 4.694 -6.331) 7.881 6.356 ( 0.000 3.297 -10.006) 10.535 6.463 ( -0.000 -12.550 3.871) 13.134 6.738 ( -0.000 -2.113 10.087) 10.306 6.759 ( -0.000 -3.593 -0.008) 3.593 7.747 ( 0.000 -1.550 -0.595) 1.661 7.876 ( 0.000 -9.117 -2.375) 9.421 18.948 ( -0.000 0.692 0.525) 0.869 18.974 ( -0.000 -0.790 0.522) 0.947 19.094 ( 0.000 4.198 0.141) 4.201 19.167 ( 0.000 3.046 -0.411) 3.073 19.235 ( -0.000 -3.607 0.064) 3.608 19.273 ( -0.000 -2.761 -0.211) 2.769 19.301 ( 0.000 0.847 -0.087) 0.852 19.332 ( -0.000 -0.934 -0.200) 0.956 42.360 ( 0.000 1.012 0.163) 1.025 42.379 ( 0.000 1.117 -0.034) 1.118 42.396 ( -0.000 -0.965 0.134) 0.974 42.419 ( -0.000 -1.071 -0.231) 1.096 66.159 ( 0.000 13.180 1.438) 13.258 66.616 ( -0.000 -11.969 -1.338) 12.044 67.586 ( 0.000 16.755 -1.218) 16.800 68.148 ( 0.000 -13.977 -6.382) 15.365 ======================= Grid point 437 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -0.815 18.451 -2.277) 18.609 2.175 ( -6.109 7.436 2.652) 9.982 2.543 ( 6.577 -8.746 -9.314) 14.371 2.866 ( -11.491 -8.638 0.029) 14.376 3.109 ( 3.592 13.289 3.505) 14.205 3.413 ( 0.036 -13.191 6.672) 14.783 3.531 ( 3.433 16.924 2.376) 17.432 3.637 ( -2.371 12.654 -1.563) 12.969 3.982 ( 12.542 -5.671 9.183) 16.547 4.114 ( 3.113 -12.162 2.660) 12.832 4.648 ( -1.533 2.096 0.132) 2.600 4.721 ( -2.573 1.709 2.734) 4.125 4.880 ( -0.064 7.779 -1.731) 7.969 4.986 ( 2.089 -5.190 -4.140) 6.960 5.158 ( 2.628 1.780 -1.964) 3.732 5.246 ( 0.567 -5.478 -2.837) 6.195 5.402 ( -0.021 1.868 -1.078) 2.156 5.479 ( -7.508 -5.297 -0.785) 9.222 6.039 ( -0.398 10.841 -0.384) 10.855 6.193 ( 0.513 1.896 -5.253) 5.608 6.341 ( -3.699 -5.022 -3.823) 7.316 6.398 ( -2.558 -4.642 -2.371) 5.806 6.741 ( 1.805 -0.122 6.307) 6.561 6.831 ( -3.421 -1.614 5.183) 6.416 7.612 ( 10.428 -1.637 -5.190) 11.763 7.828 ( -1.174 -3.683 1.276) 4.071 18.960 ( -0.117 0.690 0.676) 0.973 18.973 ( -0.107 -0.736 0.671) 1.002 19.111 ( 1.995 4.012 0.101) 4.482 19.181 ( 2.029 -3.862 0.069) 4.363 19.210 ( -1.764 3.237 -0.364) 3.704 19.264 ( -1.533 -2.811 -0.277) 3.214 19.305 ( 0.284 0.725 -0.278) 0.827 19.323 ( -0.153 -0.877 -0.154) 0.904 42.314 ( 3.112 0.096 0.324) 3.131 42.322 ( 3.549 -0.515 0.442) 3.613 42.456 ( -4.194 1.654 -0.356) 4.523 42.484 ( -4.642 -1.173 -0.492) 4.814 66.270 ( 1.416 10.800 -0.229) 10.895 66.532 ( -2.655 -10.238 1.202) 10.645 67.635 ( 6.301 11.085 -8.448) 15.296 68.064 ( -9.016 -9.555 -1.193) 13.191 ======================= Grid point 438 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -3.111 0.000 -1.537) 3.470 2.238 ( -1.035 0.000 -8.783) 8.844 2.418 ( -3.637 -0.000 1.862) 4.086 2.917 ( 4.551 -0.000 1.332) 4.742 3.200 ( -2.863 -0.000 6.324) 6.942 3.426 ( 4.023 -0.000 9.901) 10.687 3.509 ( 7.586 -0.000 1.994) 7.844 3.710 ( -1.318 -0.000 8.975) 9.071 3.932 ( 3.175 0.000 -3.440) 4.681 3.954 ( 0.699 0.000 -3.697) 3.762 4.671 ( -1.515 0.000 -1.637) 2.231 4.747 ( 4.046 0.000 -0.424) 4.068 4.917 ( -1.719 0.000 -2.275) 2.852 4.932 ( -3.435 0.000 -1.360) 3.694 5.120 ( 1.258 0.000 -1.064) 1.647 5.219 ( -0.215 -0.000 3.250) 3.257 5.392 ( 2.791 0.000 -3.545) 4.511 5.534 ( -4.695 0.000 -1.126) 4.829 6.049 ( -1.780 0.000 -6.732) 6.964 6.232 ( 2.675 -0.000 0.146) 2.679 6.259 ( 0.690 -0.000 3.704) 3.768 6.474 ( -10.102 0.000 -5.803) 11.650 6.769 ( 1.830 -0.000 6.727) 6.971 6.928 ( -4.923 -0.000 2.951) 5.740 7.355 ( 11.393 0.000 -8.491) 14.209 7.842 ( 0.636 -0.000 4.244) 4.292 18.971 ( 0.009 -0.000 0.540) 0.540 18.979 ( -0.225 -0.000 0.769) 0.801 19.106 ( 2.321 -0.000 -0.033) 2.321 19.117 ( 2.048 -0.000 0.247) 2.062 19.262 ( -1.405 0.000 -0.376) 1.454 19.263 ( -1.611 0.000 -0.296) 1.638 19.298 ( 0.415 0.000 -0.580) 0.713 19.323 ( -0.378 -0.000 0.138) 0.402 42.281 ( 0.810 -0.000 0.423) 0.914 42.295 ( 0.532 -0.000 0.786) 0.949 42.510 ( -1.576 0.000 -1.005) 1.870 42.523 ( -1.544 0.000 -0.688) 1.691 66.266 ( 1.836 0.000 -3.095) 3.598 66.552 ( -0.030 -0.000 4.779) 4.779 67.474 ( 3.768 0.000 -15.013) 15.479 68.232 ( -12.039 -0.000 4.905) 13.000 ======================= Grid point 448 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -0.000 20.803 -2.112) 20.910 2.024 ( 0.000 16.305 2.947) 16.569 2.701 ( 0.000 -9.890 -6.412) 11.786 2.724 ( -0.000 -8.752 -6.393) 10.838 3.071 ( -0.000 9.575 3.650) 10.247 3.393 ( -0.000 21.303 3.676) 21.618 3.424 ( 0.000 23.790 5.665) 24.455 3.659 ( 0.000 -15.830 6.985) 17.302 4.262 ( 0.000 -9.713 5.316) 11.072 4.288 ( 0.000 -4.161 8.890) 9.815 4.621 ( -0.000 2.909 2.210) 3.653 4.676 ( 0.000 0.085 -0.490) 0.497 4.777 ( 0.000 10.055 -2.486) 10.357 5.031 ( -0.000 -7.263 -4.770) 8.689 5.159 ( -0.000 -2.163 -5.754) 6.147 5.259 ( 0.000 -7.085 -5.467) 8.949 5.409 ( 0.000 -1.490 -0.315) 1.523 5.420 ( -0.000 -1.515 1.366) 2.040 5.944 ( -0.000 12.489 2.638) 12.765 6.119 ( 0.000 3.179 -6.769) 7.479 6.199 ( -0.000 3.701 -7.875) 8.702 6.512 ( 0.000 -12.630 1.242) 12.690 6.766 ( 0.000 1.018 1.119) 1.513 6.895 ( -0.000 -3.360 7.976) 8.655 7.735 ( 0.000 -2.328 -0.745) 2.444 7.821 ( 0.000 -8.242 -3.775) 9.065 18.960 ( -0.000 0.672 0.907) 1.129 18.986 ( 0.000 -0.768 0.780) 1.094 19.098 ( -0.000 4.146 0.275) 4.155 19.158 ( -0.000 3.248 -0.676) 3.317 19.236 ( 0.000 -3.501 0.113) 3.503 19.268 ( 0.000 -2.799 -0.371) 2.823 19.299 ( 0.000 0.638 -0.109) 0.647 19.327 ( -0.000 -0.936 -0.370) 1.006 42.364 ( 0.000 1.008 0.268) 1.043 42.378 ( 0.000 1.047 -0.032) 1.047 42.399 ( -0.000 -0.921 0.201) 0.942 42.414 ( -0.000 -0.917 -0.282) 0.959 66.193 ( -0.000 11.998 2.575) 12.271 66.582 ( -0.000 -8.808 -2.695) 9.211 67.561 ( 0.000 13.156 -1.485) 13.239 68.006 ( -0.000 -10.038 -9.656) 13.928 ======================= Grid point 449 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -1.608 17.255 -3.645) 17.709 2.194 ( -6.915 -2.816 -1.647) 7.646 2.391 ( 5.875 -2.947 -7.013) 9.611 2.815 ( -16.342 -8.293 -4.806) 18.946 3.218 ( 5.114 14.738 8.252) 17.648 3.546 ( 2.903 10.243 5.080) 11.796 3.588 ( 0.367 -10.343 5.958) 11.941 3.671 ( -2.183 13.733 7.064) 15.597 4.109 ( 11.363 -7.029 4.268) 14.026 4.191 ( 13.348 -7.223 7.483) 16.922 4.621 ( -1.326 0.553 -3.593) 3.870 4.762 ( -2.594 2.462 1.391) 3.838 4.843 ( -1.408 5.955 -3.079) 6.850 4.906 ( 1.875 -3.841 -4.382) 6.122 5.099 ( 0.040 -2.234 -5.244) 5.701 5.201 ( -4.599 -2.142 -1.715) 5.355 5.392 ( 1.638 1.651 0.172) 2.332 5.469 ( -5.300 -4.360 -0.361) 6.873 5.986 ( 1.878 2.317 -5.402) 6.171 6.162 ( -1.841 10.680 1.321) 10.918 6.239 ( -7.621 2.901 -5.990) 10.118 6.407 ( 0.732 -12.628 1.589) 12.748 6.813 ( -0.813 3.563 2.250) 4.292 6.917 ( -1.122 -4.728 4.256) 6.459 7.525 ( 13.700 -2.904 -4.541) 14.722 7.844 ( -4.514 -2.299 0.656) 5.109 18.974 ( 0.022 0.589 0.882) 1.061 18.987 ( -0.038 -0.625 0.809) 1.023 19.113 ( 2.070 3.946 0.133) 4.458 19.182 ( 2.010 -3.743 0.094) 4.250 19.203 ( -1.834 3.339 -0.449) 3.836 19.258 ( -1.548 -2.832 -0.356) 3.247 19.299 ( 0.443 0.420 -0.369) 0.713 19.320 ( -0.416 -0.715 -0.201) 0.851 42.320 ( 3.071 0.044 0.416) 3.100 42.331 ( 3.059 -0.415 0.563) 3.138 42.449 ( -3.736 1.350 -0.428) 3.995 42.474 ( -4.109 -0.812 -0.548) 4.224 66.265 ( 3.931 7.115 -0.302) 8.134 66.556 ( -5.809 -5.501 1.477) 8.135 67.476 ( 12.538 5.586 -9.479) 16.681 68.037 ( -15.539 -4.104 -1.887) 16.182 ======================= Grid point 450 (157/171) ======================= q-point: ( 0.80 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -2.175 0.000 -9.212) 9.465 2.076 ( -3.693 0.000 -1.619) 4.033 2.468 ( -8.781 -0.000 2.881) 9.241 2.948 ( 0.292 -0.000 2.792) 2.807 3.308 ( -6.054 -0.000 5.362) 8.087 3.477 ( 9.298 0.000 -1.666) 9.446 3.657 ( 1.326 -0.000 12.325) 12.397 3.740 ( 7.067 0.000 -4.220) 8.231 3.919 ( 16.316 -0.000 2.382) 16.489 4.033 ( -1.460 -0.000 11.565) 11.656 4.617 ( -1.417 0.000 -4.917) 5.117 4.719 ( 7.700 0.000 -2.355) 8.052 4.859 ( -4.367 0.000 -4.459) 6.242 4.902 ( -4.642 0.000 -2.110) 5.099 5.084 ( -5.065 0.000 -2.941) 5.857 5.279 ( -2.609 -0.000 3.567) 4.419 5.358 ( 5.482 0.000 -0.201) 5.486 5.505 ( -3.733 0.000 -2.204) 4.335 5.937 ( -1.780 0.000 -6.075) 6.330 6.249 ( 2.575 -0.000 1.483) 2.972 6.332 ( 0.694 -0.000 4.144) 4.202 6.383 ( -12.305 0.000 -3.864) 12.897 6.848 ( 0.908 -0.000 1.644) 1.878 6.961 ( -4.325 -0.000 0.934) 4.425 7.233 ( 13.945 0.000 -5.106) 14.851 7.902 ( -1.885 -0.000 2.804) 3.379 18.980 ( 0.261 -0.000 0.577) 0.633 18.992 ( -0.093 -0.000 0.776) 0.781 19.106 ( 2.340 -0.000 0.000) 2.340 19.121 ( 1.987 -0.000 0.216) 1.998 19.255 ( -1.384 0.000 -0.405) 1.442 19.258 ( -1.699 0.000 -0.267) 1.720 19.288 ( 0.517 0.000 -0.555) 0.758 19.325 ( -0.604 -0.000 0.064) 0.608 42.289 ( 0.829 -0.000 0.497) 0.967 42.308 ( 0.472 -0.000 0.761) 0.896 42.493 ( -1.334 0.000 -0.939) 1.632 42.511 ( -1.301 0.000 -0.705) 1.480 66.220 ( 2.315 0.000 -2.199) 3.193 66.635 ( -0.443 -0.000 5.024) 5.044 67.227 ( 5.992 0.000 -13.522) 14.790 68.294 ( -16.042 -0.000 2.550) 16.243 ======================= Grid point 460 (158/171) ======================= q-point: ( 0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -0.000 14.143 -0.504) 14.152 2.076 ( 0.000 10.576 2.852) 10.954 2.500 ( -0.000 -12.051 -14.153) 18.589 2.607 ( -0.000 -5.818 -7.211) 9.266 3.203 ( -0.000 16.555 9.499) 19.087 3.500 ( -0.000 20.506 2.439) 20.650 3.523 ( -0.000 17.678 11.047) 20.845 3.820 ( 0.000 -15.058 12.134) 19.339 4.322 ( 0.000 -2.635 0.194) 2.642 4.420 ( -0.000 -6.854 6.217) 9.254 4.626 ( 0.000 1.380 -0.837) 1.614 4.648 ( 0.000 1.906 -3.072) 3.615 4.772 ( -0.000 4.721 1.758) 5.038 4.949 ( -0.000 -5.451 -4.546) 7.098 5.056 ( -0.000 -2.158 -5.881) 6.264 5.155 ( 0.000 -7.803 -6.465) 10.133 5.411 ( 0.000 -0.087 0.617) 0.623 5.443 ( -0.000 -1.232 1.342) 1.822 5.968 ( -0.000 6.851 -1.254) 6.965 6.010 ( 0.000 2.397 -5.711) 6.194 6.119 ( -0.000 8.419 -0.117) 8.419 6.494 ( -0.000 -4.921 -3.260) 5.903 6.807 ( -0.000 -2.687 3.746) 4.610 6.999 ( -0.000 -6.133 3.864) 7.249 7.724 ( 0.000 -2.826 -0.619) 2.893 7.757 ( 0.000 -6.448 -3.339) 7.261 18.977 ( -0.000 0.586 1.034) 1.189 18.999 ( 0.000 -0.615 0.654) 0.897 19.104 ( -0.000 4.069 0.396) 4.088 19.145 ( -0.000 3.482 -0.762) 3.565 19.239 ( 0.000 -3.328 0.159) 3.332 19.261 ( -0.000 -2.846 -0.447) 2.881 19.298 ( 0.000 0.279 -0.019) 0.280 19.320 ( -0.000 -0.908 -0.475) 1.024 42.369 ( -0.000 0.996 0.283) 1.036 42.378 ( 0.000 0.985 -0.019) 0.985 42.402 ( -0.000 -0.868 0.189) 0.888 42.410 ( -0.000 -0.802 -0.186) 0.823 66.245 ( 0.000 10.136 3.362) 10.678 66.525 ( -0.000 -4.393 -3.834) 5.831 67.543 ( 0.000 8.447 -0.471) 8.460 67.839 ( -0.000 -6.066 -9.402) 11.190 ======================= Grid point 461 (159/171) ======================= q-point: ( 0.80 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -2.567 11.206 -3.163) 11.923 2.098 ( -2.665 -13.140 -7.964) 15.594 2.342 ( -2.275 6.328 0.237) 6.729 2.732 ( -19.670 -3.580 -4.398) 20.471 3.358 ( 7.493 13.872 7.482) 17.452 3.555 ( 5.900 5.810 -0.904) 8.330 3.754 ( 0.816 8.658 9.847) 13.138 3.849 ( 0.418 -5.403 12.619) 13.734 4.160 ( 8.743 -3.021 2.919) 9.700 4.337 ( 18.190 -5.388 8.585) 20.823 4.522 ( -3.295 -0.722 -7.821) 8.518 4.721 ( -3.001 3.773 -6.609) 8.181 4.804 ( 2.731 0.995 -0.002) 2.907 4.849 ( -1.206 -3.931 -3.451) 5.368 4.990 ( -1.747 -3.503 -6.489) 7.578 5.191 ( -10.228 0.091 0.275) 10.232 5.410 ( 2.138 1.939 1.828) 3.416 5.466 ( -2.248 -2.958 -0.039) 3.715 5.891 ( 2.442 0.577 -5.184) 5.760 6.134 ( -11.434 1.980 -4.226) 12.350 6.228 ( 1.368 11.774 3.904) 12.480 6.429 ( -0.040 -6.905 0.628) 6.934 6.834 ( -0.689 1.702 0.742) 1.980 6.957 ( -1.262 -7.926 0.274) 8.030 7.467 ( 15.642 -2.377 -2.090) 15.959 7.853 ( -6.708 -1.441 0.386) 6.872 18.989 ( 0.192 0.371 0.777) 0.882 18.999 ( -0.006 -0.368 0.621) 0.722 19.115 ( 2.170 3.871 0.116) 4.440 19.184 ( 1.985 -3.591 0.091) 4.104 19.196 ( -1.905 3.408 -0.372) 3.922 19.252 ( -1.571 -2.837 -0.302) 3.257 19.293 ( 0.604 0.104 -0.324) 0.694 19.317 ( -0.688 -0.573 -0.172) 0.911 42.327 ( 2.941 0.018 0.357) 2.962 42.340 ( 2.637 -0.341 0.470) 2.700 42.442 ( -3.245 1.076 -0.341) 3.436 42.466 ( -3.602 -0.515 -0.404) 3.661 66.261 ( 6.043 3.920 -0.256) 7.207 66.579 ( -9.170 -0.737 1.207) 9.278 67.330 ( 17.638 1.861 -7.191) 19.139 68.006 ( -20.182 -1.277 -1.621) 20.287 ======================= Grid point 462 (160/171) ======================= q-point: ( 0.90 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -5.849 0.000 -5.558) 8.069 2.049 ( -4.204 0.000 -1.375) 4.423 2.508 ( -11.841 -0.000 1.743) 11.969 3.011 ( -10.401 -0.000 4.050) 11.162 3.362 ( 0.331 -0.000 0.747) 0.817 3.437 ( 9.481 0.000 -2.402) 9.781 3.672 ( 12.753 0.000 -2.625) 13.020 3.827 ( 17.407 -0.000 6.193) 18.476 4.031 ( 11.406 -0.000 10.516) 15.514 4.240 ( -3.565 -0.000 11.052) 11.613 4.498 ( -1.337 0.000 -8.834) 8.935 4.678 ( 5.350 0.000 -2.315) 5.829 4.771 ( -3.323 0.000 -5.355) 6.302 4.861 ( -6.988 0.000 -2.454) 7.406 5.040 ( -8.948 0.000 -1.711) 9.110 5.336 ( -3.948 -0.000 2.957) 4.932 5.373 ( 6.894 -0.000 1.343) 7.024 5.463 ( -1.252 0.000 -2.578) 2.866 5.850 ( -2.259 0.000 -3.916) 4.521 6.274 ( 3.080 -0.000 1.237) 3.319 6.311 ( -11.918 0.000 -2.491) 12.176 6.431 ( -1.708 -0.000 5.062) 5.342 6.820 ( 1.628 0.000 -3.969) 4.290 6.966 ( -4.256 0.000 -0.068) 4.257 7.191 ( 14.321 -0.000 -0.391) 14.326 7.938 ( -3.513 -0.000 1.415) 3.787 18.989 ( 0.463 -0.000 0.372) 0.593 19.003 ( 0.011 -0.000 0.492) 0.493 19.106 ( 2.346 -0.000 0.008) 2.346 19.124 ( 1.960 -0.000 0.126) 1.964 19.249 ( -1.373 0.000 -0.265) 1.399 19.254 ( -1.794 0.000 -0.146) 1.800 19.280 ( 0.599 0.000 -0.359) 0.699 19.325 ( -0.767 0.000 0.022) 0.767 42.296 ( 0.830 -0.000 0.338) 0.897 42.319 ( 0.436 -0.000 0.471) 0.642 42.480 ( -1.134 0.000 -0.566) 1.267 42.501 ( -1.106 0.000 -0.435) 1.189 66.191 ( 2.615 0.000 -1.147) 2.855 66.725 ( -2.157 -0.000 5.577) 5.980 67.021 ( 8.800 0.000 -10.376) 13.605 68.324 ( -18.717 -0.000 1.042) 18.746 ======================= Grid point 464 (161/171) ======================= q-point: ( 1.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -7.533 0.000 0.000) 7.533 2.036 ( -4.344 0.000 0.000) 4.344 2.524 ( -13.162 0.000 0.000) 13.162 3.054 ( -20.150 0.000 0.000) 20.150 3.358 ( 12.378 -0.000 -0.000) 12.378 3.413 ( 10.887 -0.000 -0.000) 10.887 3.653 ( 10.253 -0.000 -0.000) 10.253 3.876 ( 25.378 -0.000 -0.000) 25.378 4.180 ( 9.621 -0.000 -0.000) 9.621 4.353 ( -1.859 0.000 0.000) 1.859 4.372 ( -3.750 0.000 0.000) 3.750 4.649 ( -6.400 0.000 0.000) 6.400 4.716 ( 5.752 -0.000 -0.000) 5.752 4.836 ( -9.104 0.000 0.000) 9.104 5.027 ( -9.761 0.000 0.000) 9.761 5.369 ( -6.503 0.000 0.000) 6.503 5.387 ( 7.505 -0.000 -0.000) 7.505 5.432 ( 2.125 -0.000 -0.000) 2.125 5.814 ( -2.616 0.000 0.000) 2.616 6.285 ( 3.364 -0.000 -0.000) 3.364 6.289 ( -12.753 0.000 0.000) 12.753 6.485 ( -2.239 0.000 0.000) 2.239 6.772 ( 3.148 -0.000 -0.000) 3.148 6.965 ( -4.330 0.000 0.000) 4.330 7.192 ( 13.748 -0.000 -0.000) 13.748 7.950 ( -4.064 0.000 0.000) 4.064 18.992 ( 0.540 -0.000 -0.000) 0.540 19.008 ( 0.049 -0.000 -0.000) 0.049 19.106 ( 2.348 -0.000 -0.000) 2.348 19.125 ( 1.955 -0.000 -0.000) 1.955 19.247 ( -1.371 0.000 0.000) 1.371 19.253 ( -1.845 0.000 0.000) 1.845 19.276 ( 0.640 -0.000 -0.000) 0.640 19.325 ( -0.826 0.000 0.000) 0.826 42.299 ( 0.828 -0.000 -0.000) 0.828 42.323 ( 0.425 -0.000 -0.000) 0.425 42.475 ( -1.056 0.000 0.000) 1.056 42.497 ( -1.032 0.000 0.000) 1.032 66.182 ( 2.715 -0.000 -0.000) 2.715 66.803 ( -11.297 0.000 0.000) 11.297 66.901 ( 18.310 -0.000 -0.000) 18.310 68.332 ( -19.653 0.000 0.000) 19.653 ======================= Grid point 475 (162/171) ======================= q-point: ( 0.80 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -0.000 4.214 4.653) 6.278 2.074 ( -0.000 -5.244 -5.842) 7.850 2.318 ( 0.000 3.259 -3.566) 4.831 2.481 ( -0.000 -0.679 -7.436) 7.467 3.350 ( -0.000 16.459 7.367) 18.033 3.506 ( -0.000 15.970 -1.555) 16.045 3.754 ( -0.000 13.807 15.243) 20.567 4.054 ( 0.000 -10.914 14.365) 18.041 4.237 ( -0.000 6.718 -9.557) 11.681 4.461 ( -0.000 -12.761 -4.105) 13.406 4.600 ( 0.000 5.922 0.077) 5.923 4.634 ( 0.000 -3.279 1.352) 3.546 4.803 ( -0.000 1.742 1.284) 2.164 4.880 ( -0.000 -3.351 -3.536) 4.872 4.980 ( -0.000 -4.121 -2.297) 4.718 5.051 ( 0.000 -8.185 -5.282) 9.742 5.430 ( 0.000 1.228 1.585) 2.006 5.461 ( -0.000 0.046 0.504) 0.506 5.918 ( -0.000 2.651 -2.909) 3.936 5.929 ( 0.000 1.884 -3.575) 4.041 6.181 ( -0.000 10.937 5.927) 12.440 6.410 ( -0.000 3.841 -6.166) 7.265 6.886 ( -0.000 -8.290 5.127) 9.747 7.022 ( -0.000 -9.233 -1.110) 9.299 7.714 ( 0.000 -2.827 -0.529) 2.876 7.716 ( -0.000 -4.213 -1.374) 4.431 18.994 ( -0.000 0.387 0.850) 0.934 19.006 ( 0.000 -0.310 0.199) 0.368 19.111 ( -0.000 3.972 0.507) 4.005 19.132 ( 0.000 3.690 -0.720) 3.759 19.242 ( 0.000 -3.130 0.228) 3.138 19.253 ( -0.000 -2.898 -0.426) 2.929 19.299 ( 0.000 -0.166 0.170) 0.237 19.311 ( -0.000 -0.801 -0.480) 0.934 42.373 ( -0.000 0.975 0.217) 0.999 42.377 ( 0.000 0.954 -0.041) 0.955 42.405 ( -0.000 -0.813 0.126) 0.823 42.408 ( -0.000 -0.760 -0.088) 0.765 66.307 ( 0.000 7.595 3.939) 8.556 66.454 ( -0.000 0.226 -4.408) 4.413 67.551 ( 0.000 3.936 1.556) 4.232 67.696 ( -0.000 -2.805 -7.091) 7.626 ======================= Grid point 476 (163/171) ======================= q-point: ( 0.90 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -1.202 0.778 -0.753) 1.618 1.983 ( -4.745 -6.152 -4.183) 8.824 2.356 ( -4.851 3.157 0.745) 5.836 2.676 ( -21.580 1.406 -1.839) 21.703 3.463 ( 7.951 12.973 4.658) 15.912 3.529 ( 7.136 6.467 -2.214) 9.882 3.874 ( 10.838 1.521 3.592) 11.518 4.073 ( 2.951 -5.793 12.324) 13.934 4.215 ( -0.531 7.724 1.790) 7.946 4.363 ( -2.752 -4.174 -7.879) 9.331 4.456 ( 18.652 0.995 2.208) 18.809 4.632 ( -1.181 -3.768 -0.786) 4.027 4.756 ( -3.512 -5.250 -6.588) 9.127 4.808 ( 3.129 -1.527 0.176) 3.487 4.919 ( -4.157 -1.459 -1.648) 4.704 5.199 ( -12.861 0.880 0.335) 12.896 5.444 ( 1.764 1.410 1.751) 2.857 5.463 ( 0.461 -0.842 -0.483) 1.074 5.824 ( 2.617 0.128 -2.231) 3.441 6.082 ( -11.845 1.483 -1.609) 12.045 6.294 ( 2.840 8.422 2.984) 9.375 6.423 ( -2.195 3.238 -0.964) 4.029 6.850 ( 1.393 -6.082 1.057) 6.328 6.939 ( -2.448 -7.446 -1.555) 7.991 7.449 ( 15.940 -1.501 -0.328) 16.014 7.857 ( -7.701 -0.963 0.150) 7.762 18.999 ( 0.357 0.066 0.329) 0.490 19.006 ( -0.049 -0.022 0.214) 0.221 19.117 ( 2.250 3.819 0.047) 4.432 19.185 ( 2.046 -3.607 0.050) 4.147 19.191 ( -2.031 3.563 -0.156) 4.105 19.248 ( -1.592 -2.830 -0.119) 3.249 19.289 ( 0.709 -0.105 -0.131) 0.729 19.314 ( -0.862 -0.492 -0.068) 0.995 42.331 ( 2.828 0.009 0.143) 2.832 42.346 ( 2.395 -0.303 0.183) 2.421 42.438 ( -2.923 0.922 -0.131) 3.068 42.461 ( -3.301 -0.359 -0.147) 3.324 66.257 ( 7.187 2.097 -0.099) 7.488 66.594 ( -11.571 2.489 0.470) 11.845 67.243 ( 20.812 -0.361 -2.667) 20.985 67.986 ( -22.530 -0.182 -0.623) 22.539 ======================= Grid point 487 (164/171) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 0.000 -5.530 -9.655) 11.127 1.912 ( -0.000 -5.530 9.655) 11.127 2.362 ( 0.000 5.195 -5.135) 7.305 2.362 ( 0.000 5.195 5.135) 7.305 3.453 ( 0.000 15.320 -4.456) 15.955 3.453 ( -0.000 15.320 4.456) 15.955 4.016 ( 0.000 10.572 -14.429) 17.887 4.016 ( -0.000 10.572 14.429) 17.887 4.299 ( 0.000 -9.310 -12.614) 15.678 4.299 ( -0.000 -9.310 12.614) 15.678 4.634 ( 0.000 -0.913 -0.977) 1.337 4.634 ( 0.000 -0.913 0.977) 1.337 4.828 ( 0.000 -0.550 -2.174) 2.242 4.828 ( -0.000 -0.550 2.174) 2.242 4.984 ( -0.000 -7.157 -1.196) 7.256 4.984 ( -0.000 -7.157 1.196) 7.256 5.456 ( 0.000 1.321 -1.081) 1.706 5.456 ( -0.000 1.321 1.081) 1.706 5.894 ( 0.000 1.815 -0.047) 1.816 5.894 ( 0.000 1.815 0.047) 1.816 6.295 ( 0.000 8.847 -6.904) 11.223 6.295 ( -0.000 8.847 6.904) 11.223 6.971 ( 0.000 -10.422 -4.397) 11.312 6.971 ( -0.000 -10.422 4.397) 11.312 7.707 ( 0.000 -2.965 -0.004) 2.965 7.707 ( 0.000 -2.965 0.004) 2.965 19.005 ( 0.000 0.065 -0.380) 0.385 19.005 ( -0.000 0.065 0.380) 0.385 19.121 ( 0.000 3.851 -0.391) 3.871 19.121 ( 0.000 3.851 0.391) 3.871 19.247 ( 0.000 -2.981 -0.173) 2.986 19.247 ( 0.000 -2.981 0.173) 2.986 19.304 ( 0.000 -0.558 -0.280) 0.624 19.304 ( 0.000 -0.558 0.280) 0.624 42.376 ( 0.000 0.955 -0.013) 0.955 42.376 ( 0.000 0.955 0.013) 0.955 42.406 ( 0.000 -0.772 -0.004) 0.772 42.406 ( 0.000 -0.772 0.004) 0.772 66.378 ( 0.000 4.302 -3.424) 5.498 66.378 ( 0.000 4.302 3.424) 5.498 67.600 ( 0.000 0.272 -2.013) 2.031 67.600 ( 0.000 0.272 2.013) 2.031 ======================= Grid point 528 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -4.865 -5.245 0.000) 7.153 2.195 ( -4.865 5.245 0.000) 7.153 2.701 ( 4.618 -0.356 0.000) 4.631 2.701 ( 4.618 0.356 -0.000) 4.631 3.169 ( 1.070 -16.546 0.000) 16.581 3.169 ( 1.070 16.546 -0.000) 16.581 3.474 ( 11.813 -13.728 -0.000) 18.111 3.474 ( 11.813 13.728 -0.000) 18.111 4.080 ( -13.865 -18.444 0.000) 23.074 4.080 ( -13.865 18.444 0.000) 23.074 4.688 ( -1.040 -1.040 0.000) 1.471 4.688 ( -1.040 1.040 0.000) 1.471 4.951 ( 0.696 -6.597 0.000) 6.633 4.951 ( 0.696 6.597 -0.000) 6.633 5.150 ( 6.078 -6.471 -0.000) 8.878 5.150 ( 6.078 6.471 -0.000) 8.878 5.516 ( -2.253 -8.630 0.000) 8.920 5.516 ( -2.253 8.630 -0.000) 8.919 6.177 ( -0.953 -14.214 0.000) 14.246 6.177 ( -0.953 14.214 -0.000) 14.246 6.404 ( 3.044 -0.664 0.000) 3.115 6.404 ( 3.044 0.664 0.000) 3.115 6.759 ( -7.069 -6.067 0.000) 9.316 6.759 ( -7.069 6.067 0.000) 9.316 7.642 ( 6.465 -4.385 0.000) 7.812 7.642 ( 6.465 4.385 0.000) 7.812 18.962 ( -0.328 -0.679 0.000) 0.754 18.962 ( -0.328 0.679 0.000) 0.754 19.109 ( 2.216 -3.932 -0.000) 4.513 19.109 ( 2.216 3.932 -0.000) 4.513 19.269 ( -1.481 -2.643 0.000) 3.029 19.269 ( -1.481 2.643 0.000) 3.029 19.314 ( 0.093 -1.114 0.000) 1.118 19.314 ( 0.093 1.114 -0.000) 1.118 42.276 ( 0.693 -0.548 -0.000) 0.883 42.276 ( 0.693 0.548 -0.000) 0.883 42.534 ( -1.827 -2.129 0.000) 2.805 42.534 ( -1.827 2.129 0.000) 2.805 66.395 ( 0.700 -12.173 0.000) 12.193 66.395 ( 0.700 12.173 -0.000) 12.193 67.952 ( -2.880 -14.971 0.000) 15.245 67.952 ( -2.880 14.971 0.000) 15.245 ======================= Grid point 540 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -0.000 -5.940 -0.000) 5.940 2.112 ( 0.000 5.940 0.000) 5.940 2.714 ( -0.000 -3.111 -0.000) 3.111 2.714 ( 0.000 3.111 0.000) 3.111 3.215 ( -0.000 -14.220 -0.000) 14.220 3.215 ( 0.000 14.220 0.000) 14.220 3.804 ( -0.000 -21.301 -0.000) 21.301 3.804 ( 0.000 21.301 0.000) 21.301 3.819 ( -0.000 -21.217 -0.000) 21.217 3.819 ( 0.000 21.217 0.000) 21.217 4.654 ( -0.000 -3.397 -0.000) 3.397 4.654 ( 0.000 3.397 0.000) 3.397 4.995 ( -0.000 -6.776 -0.000) 6.776 4.995 ( 0.000 6.776 0.000) 6.776 5.266 ( -0.000 -3.243 -0.000) 3.243 5.266 ( 0.000 3.243 0.000) 3.243 5.391 ( -0.000 -0.795 -0.000) 0.795 5.391 ( 0.000 0.795 0.000) 0.795 6.148 ( -0.000 -15.299 -0.000) 15.299 6.148 ( 0.000 15.299 0.000) 15.299 6.462 ( -0.000 -8.556 -0.000) 8.556 6.462 ( 0.000 8.556 0.000) 8.556 6.634 ( -0.000 -7.489 -0.000) 7.489 6.634 ( 0.000 7.489 0.000) 7.489 7.777 ( -0.000 -4.142 -0.000) 4.142 7.777 ( 0.000 4.142 0.000) 4.142 18.956 ( -0.000 -0.772 -0.000) 0.772 18.956 ( 0.000 0.772 0.000) 0.772 19.166 ( -0.000 -4.128 -0.000) 4.128 19.166 ( 0.000 4.128 0.000) 4.128 19.224 ( -0.000 -3.056 -0.000) 3.056 19.224 ( 0.000 3.056 0.000) 3.056 19.318 ( -0.000 -0.909 -0.000) 0.909 19.318 ( 0.000 0.909 0.000) 0.909 42.377 ( -0.000 -1.038 -0.000) 1.038 42.377 ( 0.000 1.038 0.000) 1.038 42.400 ( -0.000 -1.224 -0.000) 1.224 42.400 ( 0.000 1.224 0.000) 1.224 66.389 ( -0.000 -14.106 -0.000) 14.106 66.389 ( 0.000 14.106 0.000) 14.106 67.912 ( -0.000 -17.788 -0.000) 17.788 67.912 ( 0.000 17.788 0.000) 17.788 ======================= Grid point 552 (167/171) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -0.000 -7.128 0.189) 7.130 2.116 ( 0.000 7.128 0.189) 7.130 2.680 ( 0.000 -0.988 -4.135) 4.251 2.680 ( 0.000 0.988 -4.135) 4.251 3.236 ( -0.000 -15.491 3.114) 15.801 3.236 ( 0.000 15.491 3.114) 15.801 3.692 ( 0.000 -4.402 -4.332) 6.177 3.692 ( 0.000 4.402 -4.332) 6.177 3.989 ( -0.000 -3.455 10.873) 11.409 3.989 ( -0.000 3.455 10.873) 11.409 4.662 ( -0.000 -2.901 0.883) 3.033 4.662 ( -0.000 2.901 0.883) 3.033 4.975 ( 0.000 -6.621 -2.324) 7.017 4.975 ( 0.000 6.621 -2.324) 7.017 5.237 ( 0.000 -3.152 -3.348) 4.599 5.237 ( 0.000 3.152 -3.348) 4.599 5.393 ( -0.000 -0.375 0.296) 0.478 5.393 ( -0.000 0.375 0.296) 0.478 6.149 ( -0.000 -13.279 -0.167) 13.280 6.149 ( 0.000 13.279 -0.167) 13.280 6.375 ( 0.000 -0.327 -6.770) 6.778 6.375 ( 0.000 0.327 -6.770) 6.778 6.719 ( -0.000 -0.225 6.854) 6.858 6.719 ( -0.000 0.225 6.854) 6.858 7.762 ( 0.000 -3.083 -1.547) 3.449 7.762 ( 0.000 3.083 -1.547) 3.449 18.960 ( -0.000 -0.771 0.519) 0.930 18.960 ( -0.000 0.771 0.519) 0.930 19.167 ( -0.000 -4.103 0.101) 4.104 19.167 ( 0.000 4.103 0.101) 4.104 19.221 ( -0.000 -3.099 -0.270) 3.111 19.221 ( 0.000 3.099 -0.270) 3.111 19.316 ( -0.000 -0.878 -0.176) 0.896 19.316 ( 0.000 0.878 -0.176) 0.896 42.378 ( -0.000 -1.010 0.150) 1.021 42.378 ( 0.000 1.010 0.150) 1.021 42.399 ( -0.000 -1.123 -0.103) 1.128 42.399 ( 0.000 1.123 -0.103) 1.128 66.393 ( -0.000 -13.365 0.387) 13.371 66.393 ( 0.000 13.365 0.387) 13.371 67.880 ( 0.000 -16.209 -3.641) 16.613 67.880 ( 0.000 16.209 -3.641) 16.613 ======================= Grid point 564 (168/171) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 0.000 -11.351 -2.738) 11.676 2.099 ( 0.000 11.351 -2.738) 11.676 2.579 ( 0.000 -2.163 -6.805) 7.140 2.579 ( 0.000 2.163 -6.805) 7.140 3.340 ( -0.000 -17.308 8.940) 19.481 3.340 ( -0.000 17.308 8.940) 19.481 3.662 ( -0.000 -4.282 0.705) 4.340 3.662 ( 0.000 4.282 0.705) 4.339 4.163 ( -0.000 -3.708 9.046) 9.776 4.163 ( -0.000 3.708 9.046) 9.776 4.677 ( 0.000 -1.319 0.455) 1.395 4.677 ( 0.000 1.319 0.455) 1.395 4.923 ( 0.000 -6.209 -3.475) 7.115 4.923 ( 0.000 6.209 -3.475) 7.115 5.158 ( 0.000 -2.965 -5.688) 6.415 5.158 ( 0.000 2.965 -5.688) 6.415 5.402 ( -0.000 -0.407 0.747) 0.850 5.402 ( -0.000 0.407 0.747) 0.851 6.118 ( 0.000 -4.121 -4.179) 5.869 6.118 ( 0.000 4.121 -4.179) 5.869 6.298 ( -0.000 -9.648 -1.232) 9.726 6.298 ( 0.000 9.648 -1.232) 9.726 6.822 ( -0.000 -4.439 4.660) 6.436 6.822 ( -0.000 4.439 4.660) 6.436 7.730 ( 0.000 -0.992 -2.074) 2.299 7.730 ( 0.000 0.992 -2.074) 2.299 18.973 ( -0.000 -0.740 0.850) 1.127 18.973 ( -0.000 0.740 0.850) 1.127 19.170 ( -0.000 -4.024 0.198) 4.029 19.170 ( 0.000 4.024 0.198) 4.029 19.215 ( -0.000 -3.204 -0.466) 3.238 19.215 ( 0.000 3.204 -0.466) 3.238 19.312 ( 0.000 -0.777 -0.303) 0.834 19.312 ( 0.000 0.777 -0.303) 0.834 42.382 ( -0.000 -0.926 0.240) 0.957 42.382 ( 0.000 0.926 0.240) 0.957 42.397 ( 0.000 -0.876 -0.129) 0.885 42.397 ( 0.000 0.876 -0.129) 0.885 66.401 ( -0.000 -11.163 0.554) 11.177 66.401 ( 0.000 11.163 0.554) 11.177 67.797 ( 0.000 -11.946 -5.614) 13.200 67.797 ( 0.000 11.946 -5.614) 13.200 ======================= Grid point 576 (169/171) ======================= q-point: (-0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 0.000 -14.485 -6.424) 15.846 2.017 ( 0.000 14.485 -6.424) 15.846 2.478 ( 0.000 -6.019 -4.565) 7.554 2.478 ( 0.000 6.019 -4.565) 7.554 3.505 ( -0.000 -16.560 8.454) 18.593 3.505 ( -0.000 16.560 8.454) 18.593 3.724 ( 0.000 -1.086 7.438) 7.517 3.724 ( 0.000 1.086 7.438) 7.517 4.285 ( 0.000 -2.124 4.709) 5.166 4.285 ( 0.000 2.124 4.709) 5.166 4.666 ( 0.000 -0.507 -1.951) 2.016 4.666 ( 0.000 0.507 -1.951) 2.016 4.869 ( 0.000 -4.908 -2.481) 5.500 4.869 ( 0.000 4.908 -2.481) 5.500 5.052 ( 0.000 -1.931 -6.334) 6.622 5.052 ( 0.000 1.931 -6.334) 6.622 5.421 ( -0.000 -1.083 1.596) 1.929 5.421 ( -0.000 1.083 1.596) 1.929 6.025 ( 0.000 -0.158 -5.674) 5.676 6.025 ( 0.000 0.158 -5.674) 5.676 6.319 ( -0.000 -12.782 2.737) 13.072 6.319 ( 0.000 12.782 2.737) 13.072 6.871 ( -0.000 -7.427 1.066) 7.503 6.871 ( 0.000 7.427 1.066) 7.503 7.699 ( 0.000 -0.043 -1.341) 1.342 7.699 ( 0.000 0.043 -1.341) 1.342 18.988 ( -0.000 -0.614 0.868) 1.063 18.988 ( -0.000 0.614 0.868) 1.063 19.174 ( -0.000 -3.876 0.287) 3.887 19.174 ( 0.000 3.876 0.287) 3.887 19.206 ( -0.000 -3.311 -0.549) 3.356 19.206 ( 0.000 3.311 -0.549) 3.356 19.306 ( 0.000 -0.576 -0.330) 0.664 19.306 ( 0.000 0.576 -0.330) 0.664 42.386 ( 0.000 -0.766 0.240) 0.802 42.386 ( 0.000 0.766 0.240) 0.802 42.395 ( 0.000 -0.592 -0.086) 0.598 42.395 ( 0.000 0.592 -0.086) 0.598 66.410 ( 0.000 -7.575 0.456) 7.589 66.410 ( 0.000 7.575 0.456) 7.589 67.701 ( 0.000 -6.392 -5.281) 8.292 67.701 ( 0.000 6.392 -5.281) 8.292 ======================= Grid point 589 (170/171) ======================= q-point: (-0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.000 -9.635 -5.335) 11.013 1.909 ( 0.000 9.635 -5.335) 11.013 2.425 ( 0.000 -4.160 -1.845) 4.551 2.425 ( 0.000 4.160 -1.845) 4.551 3.594 ( -0.000 -8.113 2.626) 8.527 3.594 ( -0.000 8.113 2.626) 8.527 3.917 ( -0.000 -4.774 13.584) 14.398 3.917 ( -0.000 4.774 13.584) 14.398 4.301 ( 0.000 -2.580 -3.520) 4.364 4.301 ( 0.000 2.580 -3.520) 4.364 4.625 ( 0.000 -0.636 -1.912) 2.015 4.625 ( 0.000 0.636 -1.912) 2.015 4.841 ( 0.000 -2.170 -0.962) 2.374 4.841 ( 0.000 2.170 -0.962) 2.374 4.957 ( 0.000 -0.457 -4.224) 4.249 4.957 ( 0.000 0.457 -4.224) 4.249 5.452 ( -0.000 -1.012 1.671) 1.954 5.452 ( -0.000 1.012 1.671) 1.954 5.942 ( 0.000 -0.024 -3.680) 3.680 5.942 ( 0.000 0.024 -3.680) 3.680 6.370 ( -0.000 -8.708 2.758) 9.134 6.370 ( 0.000 8.708 2.758) 9.134 6.867 ( 0.000 -6.307 -1.053) 6.394 6.867 ( 0.000 6.307 -1.053) 6.394 7.685 ( 0.000 -0.011 -0.387) 0.387 7.685 ( 0.000 0.011 -0.387) 0.387 19.000 ( -0.000 -0.347 0.549) 0.650 19.000 ( -0.000 0.347 0.549) 0.650 19.179 ( -0.000 -3.517 0.351) 3.534 19.179 ( 0.000 3.517 0.351) 3.534 19.197 ( 0.000 -3.242 -0.510) 3.282 19.197 ( 0.000 3.242 -0.510) 3.282 19.301 ( 0.000 -0.255 -0.220) 0.337 19.301 ( 0.000 0.255 -0.220) 0.337 42.389 ( 0.000 -0.414 0.158) 0.443 42.389 ( 0.000 0.414 0.158) 0.443 42.394 ( 0.000 -0.284 -0.043) 0.287 42.394 ( 0.000 0.284 -0.043) 0.287 66.416 ( 0.000 -2.975 0.226) 2.983 66.416 ( 0.000 2.975 0.226) 2.983 67.628 ( 0.000 -1.759 -3.100) 3.564 67.628 ( 0.000 1.759 -3.100) 3.564 ======================= Grid point 591 (171/171) ======================= q-point: (-1.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -4.251 0.000 0.000) 4.251 1.860 ( 4.251 -0.000 -0.000) 4.251 2.410 ( -9.689 0.000 0.000) 9.689 2.410 ( 9.689 -0.000 -0.000) 9.689 3.615 ( -0.626 0.000 0.000) 0.626 3.615 ( 0.626 -0.000 -0.000) 0.626 4.107 ( -12.919 0.000 0.000) 12.919 4.107 ( 12.919 -0.000 -0.000) 12.919 4.199 ( -4.209 0.000 0.000) 4.209 4.199 ( 4.209 -0.000 -0.000) 4.209 4.611 ( -3.228 0.000 0.000) 3.228 4.611 ( 3.228 -0.000 -0.000) 3.228 4.832 ( -2.562 0.000 0.000) 2.562 4.832 ( 2.562 -0.000 -0.000) 2.562 4.920 ( -17.416 0.000 0.000) 17.416 4.920 ( 17.416 -0.000 -0.000) 17.416 5.468 ( -0.562 0.000 0.000) 0.562 5.468 ( 0.562 -0.000 -0.000) 0.562 5.909 ( -8.484 0.000 0.000) 8.484 5.909 ( 8.484 -0.000 -0.000) 8.484 6.397 ( -3.193 0.000 0.000) 3.193 6.397 ( 3.193 -0.000 -0.000) 3.193 6.854 ( -2.398 0.000 0.000) 2.398 6.854 ( 2.398 -0.000 -0.000) 2.398 7.682 ( -12.914 0.000 0.000) 12.914 7.682 ( 12.914 -0.000 -0.000) 12.914 19.005 ( -0.233 0.000 0.000) 0.233 19.005 ( 0.233 -0.000 -0.000) 0.233 19.184 ( -2.315 0.000 0.000) 2.315 19.184 ( 2.315 -0.000 -0.000) 2.315 19.191 ( -1.975 0.000 0.000) 1.975 19.191 ( 1.975 -0.000 -0.000) 1.975 19.299 ( -0.751 0.000 0.000) 0.751 19.299 ( 0.751 -0.000 -0.000) 0.751 42.391 ( -3.191 0.000 0.000) 3.191 42.391 ( 3.191 -0.000 -0.000) 3.191 42.394 ( -4.170 0.000 0.000) 4.170 42.394 ( 4.170 -0.000 -0.000) 4.170 66.418 ( -10.891 0.000 0.000) 10.891 66.418 ( 10.891 -0.000 -0.000) 10.891 67.600 ( -23.445 0.000 0.000) 23.445 67.600 ( 23.445 -0.000 -0.000) 23.445 =================== 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 3/42000 10.0 74.483 110.220 78.919 0.000 -0.000 -0.000 3/42000 20.0 18.048 23.246 13.926 0.000 -0.000 -0.000 3/42000 30.0 8.362 10.992 6.370 0.000 -0.000 -0.000 3/42000 40.0 5.176 6.752 3.927 0.000 -0.000 -0.000 3/42000 50.0 3.746 4.796 2.810 0.000 -0.000 -0.000 3/42000 60.0 2.966 3.719 2.192 0.000 -0.000 -0.000 3/42000 70.0 2.480 3.049 1.805 0.000 -0.000 -0.000 3/42000 80.0 2.146 2.597 1.540 0.000 -0.000 -0.000 3/42000 90.0 1.902 2.275 1.348 0.000 -0.000 -0.000 3/42000 100.0 1.715 2.037 1.201 0.000 -0.000 -0.000 3/42000 110.0 1.567 1.860 1.085 0.000 -0.000 -0.000 3/42000 120.0 1.446 1.727 0.990 0.000 -0.000 -0.000 3/42000 130.0 1.347 1.627 0.912 0.000 -0.000 -0.000 3/42000 140.0 1.265 1.553 0.845 0.000 -0.000 -0.000 3/42000 150.0 1.195 1.499 0.788 0.000 -0.000 -0.000 3/42000 160.0 1.135 1.459 0.739 0.000 -0.000 -0.000 3/42000 170.0 1.084 1.430 0.695 0.000 -0.000 -0.000 3/42000 180.0 1.040 1.410 0.657 0.000 -0.000 -0.000 3/42000 190.0 1.001 1.396 0.623 0.000 -0.000 -0.000 3/42000 200.0 0.966 1.386 0.592 0.000 -0.000 -0.000 3/42000 210.0 0.936 1.379 0.564 0.000 -0.000 -0.000 3/42000 220.0 0.909 1.374 0.539 0.000 -0.000 -0.000 3/42000 230.0 0.885 1.370 0.517 0.000 -0.000 -0.000 3/42000 240.0 0.863 1.367 0.496 0.000 -0.000 -0.000 3/42000 250.0 0.844 1.364 0.477 0.000 -0.000 -0.000 3/42000 260.0 0.826 1.362 0.459 0.000 -0.000 -0.000 3/42000 270.0 0.810 1.359 0.443 0.000 -0.000 -0.000 3/42000 280.0 0.796 1.356 0.428 0.000 -0.000 -0.000 3/42000 290.0 0.783 1.353 0.414 0.000 -0.000 -0.000 3/42000 300.0 0.771 1.350 0.401 0.000 -0.000 -0.000 3/42000 310.0 0.760 1.347 0.389 0.000 -0.000 -0.000 3/42000 320.0 0.750 1.343 0.378 0.000 -0.000 -0.000 3/42000 330.0 0.741 1.339 0.368 0.000 -0.000 -0.000 3/42000 340.0 0.733 1.335 0.358 0.000 -0.000 -0.000 3/42000 350.0 0.726 1.331 0.349 0.000 -0.000 -0.000 3/42000 360.0 0.719 1.327 0.341 0.000 -0.000 -0.000 3/42000 370.0 0.713 1.323 0.333 0.000 -0.000 -0.000 3/42000 380.0 0.707 1.319 0.326 0.000 -0.000 -0.000 3/42000 390.0 0.702 1.316 0.319 0.000 -0.000 -0.000 3/42000 400.0 0.698 1.312 0.313 0.000 -0.000 -0.000 3/42000 410.0 0.694 1.308 0.307 0.000 -0.000 -0.000 3/42000 420.0 0.690 1.304 0.302 0.000 -0.000 -0.000 3/42000 430.0 0.686 1.301 0.297 0.000 -0.000 -0.000 3/42000 440.0 0.683 1.298 0.292 0.000 -0.000 -0.000 3/42000 450.0 0.681 1.295 0.288 0.000 -0.000 -0.000 3/42000 460.0 0.678 1.292 0.284 0.000 -0.000 -0.000 3/42000 470.0 0.676 1.289 0.281 0.000 -0.000 -0.000 3/42000 480.0 0.674 1.287 0.277 0.000 -0.000 -0.000 3/42000 490.0 0.672 1.284 0.274 0.000 -0.000 -0.000 3/42000 500.0 0.670 1.282 0.271 0.000 -0.000 -0.000 3/42000 510.0 0.669 1.280 0.269 0.000 -0.000 -0.000 3/42000 520.0 0.667 1.278 0.266 0.000 -0.000 -0.000 3/42000 530.0 0.666 1.276 0.264 0.000 -0.000 -0.000 3/42000 540.0 0.665 1.275 0.262 0.000 -0.000 -0.000 3/42000 550.0 0.664 1.273 0.260 0.000 -0.000 -0.000 3/42000 560.0 0.663 1.272 0.259 0.000 -0.000 -0.000 3/42000 570.0 0.662 1.271 0.257 0.000 -0.000 -0.000 3/42000 580.0 0.662 1.270 0.256 0.000 -0.000 -0.000 3/42000 590.0 0.661 1.269 0.254 0.000 -0.000 -0.000 3/42000 600.0 0.660 1.268 0.253 0.000 -0.000 -0.000 3/42000 610.0 0.660 1.268 0.252 0.000 -0.000 -0.000 3/42000 620.0 0.659 1.267 0.251 0.000 -0.000 -0.000 3/42000 630.0 0.659 1.266 0.250 0.000 -0.000 -0.000 3/42000 640.0 0.658 1.266 0.249 0.000 -0.000 -0.000 3/42000 650.0 0.658 1.265 0.249 0.000 -0.000 -0.000 3/42000 660.0 0.657 1.265 0.248 0.000 -0.000 -0.000 3/42000 670.0 0.657 1.265 0.247 0.000 -0.000 -0.000 3/42000 680.0 0.656 1.264 0.247 0.000 -0.000 -0.000 3/42000 690.0 0.656 1.264 0.246 0.000 -0.000 -0.000 3/42000 700.0 0.655 1.264 0.246 0.000 -0.000 -0.000 3/42000 710.0 0.655 1.263 0.245 0.000 -0.000 -0.000 3/42000 720.0 0.654 1.263 0.245 0.000 -0.000 -0.000 3/42000 730.0 0.654 1.263 0.244 0.000 -0.000 -0.000 3/42000 740.0 0.653 1.262 0.244 0.000 -0.000 -0.000 3/42000 750.0 0.653 1.262 0.244 0.000 -0.000 -0.000 3/42000 760.0 0.652 1.262 0.243 0.000 -0.000 -0.000 3/42000 770.0 0.652 1.262 0.243 0.000 -0.000 -0.000 3/42000 780.0 0.651 1.261 0.243 0.000 -0.000 -0.000 3/42000 790.0 0.650 1.261 0.243 0.000 -0.000 -0.000 3/42000 800.0 0.650 1.260 0.242 0.000 -0.000 -0.000 3/42000 810.0 0.649 1.260 0.242 0.000 -0.000 -0.000 3/42000 820.0 0.648 1.260 0.242 0.000 -0.000 -0.000 3/42000 830.0 0.648 1.259 0.242 0.000 -0.000 -0.000 3/42000 840.0 0.647 1.259 0.241 0.000 -0.000 -0.000 3/42000 850.0 0.646 1.258 0.241 0.000 -0.000 -0.000 3/42000 860.0 0.645 1.258 0.241 0.000 -0.000 -0.000 3/42000 870.0 0.645 1.257 0.241 0.000 -0.000 -0.000 3/42000 880.0 0.644 1.256 0.240 0.000 -0.000 -0.000 3/42000 890.0 0.643 1.256 0.240 0.000 -0.000 -0.000 3/42000 900.0 0.642 1.255 0.240 0.000 -0.000 -0.000 3/42000 910.0 0.641 1.254 0.240 0.000 -0.000 -0.000 3/42000 920.0 0.640 1.254 0.240 0.000 -0.000 -0.000 3/42000 930.0 0.639 1.253 0.239 0.000 -0.000 -0.000 3/42000 940.0 0.638 1.252 0.239 0.000 -0.000 -0.000 3/42000 950.0 0.637 1.251 0.239 0.000 -0.000 -0.000 3/42000 960.0 0.636 1.250 0.238 0.000 -0.000 -0.000 3/42000 970.0 0.635 1.249 0.238 0.000 -0.000 -0.000 3/42000 980.0 0.634 1.248 0.238 0.000 -0.000 -0.000 3/42000 990.0 0.633 1.247 0.238 0.000 -0.000 -0.000 3/42000 1000.0 0.632 1.246 0.237 0.000 -0.000 -0.000 3/42000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:06:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|