----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:43:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.054782645000000 -7.269141245000000 0.000000000000000 b 2.054782645000000 7.269141245000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.848519710000000 Atomic positions (fractional): *1 F 0.42213645559151 0.57786354440849 0.20241995574530 18.998 2 F 0.57786354440849 0.42213645559151 0.70241995574530 18.998 *3 F 0.80302338975852 0.19697661024148 0.38190331068865 18.998 4 F 0.19697661024148 0.80302338975852 0.88190331068865 18.998 *5 F 0.02759534465430 0.97240465534570 0.00588102648339 18.998 6 F 0.97240465534570 0.02759534465430 0.50588102648339 18.998 *7 F 0.16466730771383 0.83533269228617 0.42218696585330 18.998 8 F 0.83533269228617 0.16466730771383 0.92218696585330 18.998 *9 Mg 0.91522270639346 0.08477729360654 0.18969134030391 24.305 10 Mg 0.08477729360654 0.91522270639346 0.68969134030391 24.305 *11 Ba 0.64937682880437 0.35062317119563 0.14739741092546 137.327 12 Ba 0.35062317119563 0.64937682880437 0.64739741092546 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.109565290000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.538282490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.848519710000000 Atomic positions (fractional): *1 F 0.00000000000000 0.57786354440849 0.20241995574530 18.998 > 1 2 F 0.50000000000000 0.92213645559151 0.70241995574530 18.998 > 2 *3 F 0.50000000000000 0.69697661024148 0.38190331068865 18.998 > 3 4 F 0.00000000000000 0.80302338975852 0.88190331068865 18.998 > 4 *5 F 0.00000000000000 0.97240465534570 0.00588102648339 18.998 > 5 6 F 0.50000000000000 0.52759534465430 0.50588102648339 18.998 > 6 *7 F 0.00000000000000 0.83533269228617 0.42218696585330 18.998 > 7 8 F 0.50000000000000 0.66466730771383 0.92218696585330 18.998 > 8 9 F 0.50000000000000 0.07786354440849 0.20241995574530 18.998 > 1 10 F 0.00000000000000 0.42213645559151 0.70241995574530 18.998 > 2 11 F 0.00000000000000 0.19697661024148 0.38190331068865 18.998 > 3 12 F 0.50000000000000 0.30302338975852 0.88190331068865 18.998 > 4 13 F 0.50000000000000 0.47240465534570 0.00588102648339 18.998 > 5 14 F 0.00000000000000 0.02759534465430 0.50588102648339 18.998 > 6 15 F 0.50000000000000 0.33533269228617 0.42218696585330 18.998 > 7 16 F 0.00000000000000 0.16466730771383 0.92218696585330 18.998 > 8 *17 Mg 0.50000000000000 0.58477729360654 0.18969134030391 24.305 > 9 18 Mg 0.00000000000000 0.91522270639346 0.68969134030391 24.305 > 10 19 Mg 0.00000000000000 0.08477729360654 0.18969134030391 24.305 > 9 20 Mg 0.50000000000000 0.41522270639346 0.68969134030391 24.305 > 10 *21 Ba 0.50000000000000 0.85062317119563 0.14739741092546 137.327 > 11 22 Ba 0.00000000000000 0.64937682880437 0.64739741092546 137.327 > 12 23 Ba 0.00000000000000 0.35062317119563 0.14739741092546 137.327 > 11 24 Ba 0.50000000000000 0.14937682880437 0.64739741092546 137.327 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.328695870000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.538282490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.697039419999999 Atomic positions (fractional): *1 F 0.00000000000000 0.57786354440849 0.10120997787265 18.998 > 1 2 F 0.33333333333333 0.57786354440849 0.10120997787265 18.998 > 1 3 F 0.66666666666667 0.57786354440849 0.10120997787265 18.998 > 1 4 F 0.00000000000000 0.57786354440849 0.60120997787265 18.998 > 1 5 F 0.33333333333333 0.57786354440849 0.60120997787265 18.998 > 1 6 F 0.66666666666667 0.57786354440849 0.60120997787265 18.998 > 1 7 F 0.16666666666667 0.92213645559151 0.35120997787265 18.998 > 2 8 F 0.50000000000000 0.92213645559151 0.35120997787265 18.998 > 2 9 F 0.83333333333333 0.92213645559151 0.35120997787265 18.998 > 2 10 F 0.16666666666667 0.92213645559151 0.85120997787265 18.998 > 2 11 F 0.50000000000000 0.92213645559151 0.85120997787265 18.998 > 2 12 F 0.83333333333333 0.92213645559151 0.85120997787265 18.998 > 2 *13 F 0.16666666666667 0.69697661024148 0.19095165534432 18.998 > 3 14 F 0.50000000000000 0.69697661024148 0.19095165534432 18.998 > 3 15 F 0.83333333333333 0.69697661024148 0.19095165534432 18.998 > 3 16 F 0.16666666666667 0.69697661024148 0.69095165534432 18.998 > 3 17 F 0.50000000000000 0.69697661024148 0.69095165534432 18.998 > 3 18 F 0.83333333333333 0.69697661024148 0.69095165534432 18.998 > 3 19 F 0.00000000000000 0.80302338975852 0.44095165534432 18.998 > 4 20 F 0.33333333333333 0.80302338975852 0.44095165534432 18.998 > 4 21 F 0.66666666666667 0.80302338975852 0.44095165534432 18.998 > 4 22 F 0.00000000000000 0.80302338975852 0.94095165534432 18.998 > 4 23 F 0.33333333333333 0.80302338975852 0.94095165534432 18.998 > 4 24 F 0.66666666666667 0.80302338975852 0.94095165534432 18.998 > 4 *25 F 0.00000000000000 0.97240465534570 0.00294051324169 18.998 > 5 26 F 0.33333333333333 0.97240465534570 0.00294051324169 18.998 > 5 27 F 0.66666666666667 0.97240465534570 0.00294051324169 18.998 > 5 28 F 0.00000000000000 0.97240465534570 0.50294051324169 18.998 > 5 29 F 0.33333333333333 0.97240465534570 0.50294051324169 18.998 > 5 30 F 0.66666666666667 0.97240465534570 0.50294051324169 18.998 > 5 31 F 0.16666666666667 0.52759534465430 0.25294051324169 18.998 > 6 32 F 0.50000000000000 0.52759534465430 0.25294051324169 18.998 > 6 33 F 0.83333333333333 0.52759534465430 0.25294051324169 18.998 > 6 34 F 0.16666666666667 0.52759534465430 0.75294051324169 18.998 > 6 35 F 0.50000000000000 0.52759534465430 0.75294051324169 18.998 > 6 36 F 0.83333333333333 0.52759534465430 0.75294051324169 18.998 > 6 *37 F 0.00000000000000 0.83533269228617 0.21109348292665 18.998 > 7 38 F 0.33333333333333 0.83533269228617 0.21109348292665 18.998 > 7 39 F 0.66666666666667 0.83533269228617 0.21109348292665 18.998 > 7 40 F 0.00000000000000 0.83533269228617 0.71109348292665 18.998 > 7 41 F 0.33333333333333 0.83533269228617 0.71109348292665 18.998 > 7 42 F 0.66666666666667 0.83533269228617 0.71109348292665 18.998 > 7 43 F 0.16666666666667 0.66466730771383 0.46109348292665 18.998 > 8 44 F 0.50000000000000 0.66466730771383 0.46109348292665 18.998 > 8 45 F 0.83333333333333 0.66466730771383 0.46109348292665 18.998 > 8 46 F 0.16666666666667 0.66466730771383 0.96109348292665 18.998 > 8 47 F 0.50000000000000 0.66466730771383 0.96109348292665 18.998 > 8 48 F 0.83333333333333 0.66466730771383 0.96109348292665 18.998 > 8 49 F 0.16666666666667 0.07786354440849 0.10120997787265 18.998 > 1 50 F 0.50000000000000 0.07786354440849 0.10120997787265 18.998 > 1 51 F 0.83333333333333 0.07786354440849 0.10120997787265 18.998 > 1 52 F 0.16666666666667 0.07786354440849 0.60120997787265 18.998 > 1 53 F 0.50000000000000 0.07786354440849 0.60120997787265 18.998 > 1 54 F 0.83333333333333 0.07786354440849 0.60120997787265 18.998 > 1 55 F 0.00000000000000 0.42213645559151 0.35120997787265 18.998 > 2 56 F 0.33333333333333 0.42213645559151 0.35120997787265 18.998 > 2 57 F 0.66666666666667 0.42213645559151 0.35120997787265 18.998 > 2 58 F 0.00000000000000 0.42213645559151 0.85120997787265 18.998 > 2 59 F 0.33333333333333 0.42213645559151 0.85120997787265 18.998 > 2 60 F 0.66666666666667 0.42213645559151 0.85120997787265 18.998 > 2 61 F 0.00000000000000 0.19697661024148 0.19095165534432 18.998 > 3 62 F 0.33333333333333 0.19697661024148 0.19095165534432 18.998 > 3 63 F 0.66666666666667 0.19697661024148 0.19095165534432 18.998 > 3 64 F 0.00000000000000 0.19697661024148 0.69095165534432 18.998 > 3 65 F 0.33333333333333 0.19697661024148 0.69095165534432 18.998 > 3 66 F 0.66666666666667 0.19697661024148 0.69095165534432 18.998 > 3 67 F 0.16666666666667 0.30302338975852 0.44095165534432 18.998 > 4 68 F 0.50000000000000 0.30302338975852 0.44095165534432 18.998 > 4 69 F 0.83333333333333 0.30302338975852 0.44095165534432 18.998 > 4 70 F 0.16666666666667 0.30302338975852 0.94095165534432 18.998 > 4 71 F 0.50000000000000 0.30302338975852 0.94095165534432 18.998 > 4 72 F 0.83333333333333 0.30302338975852 0.94095165534432 18.998 > 4 73 F 0.16666666666667 0.47240465534570 0.00294051324169 18.998 > 5 74 F 0.50000000000000 0.47240465534570 0.00294051324169 18.998 > 5 75 F 0.83333333333333 0.47240465534570 0.00294051324169 18.998 > 5 76 F 0.16666666666667 0.47240465534570 0.50294051324169 18.998 > 5 77 F 0.50000000000000 0.47240465534570 0.50294051324169 18.998 > 5 78 F 0.83333333333333 0.47240465534570 0.50294051324169 18.998 > 5 79 F 0.00000000000000 0.02759534465430 0.25294051324169 18.998 > 6 80 F 0.33333333333333 0.02759534465430 0.25294051324169 18.998 > 6 81 F 0.66666666666667 0.02759534465430 0.25294051324169 18.998 > 6 82 F 0.00000000000000 0.02759534465430 0.75294051324169 18.998 > 6 83 F 0.33333333333333 0.02759534465430 0.75294051324169 18.998 > 6 84 F 0.66666666666667 0.02759534465430 0.75294051324169 18.998 > 6 85 F 0.16666666666667 0.33533269228617 0.21109348292665 18.998 > 7 86 F 0.50000000000000 0.33533269228617 0.21109348292665 18.998 > 7 87 F 0.83333333333333 0.33533269228617 0.21109348292665 18.998 > 7 88 F 0.16666666666667 0.33533269228617 0.71109348292665 18.998 > 7 89 F 0.50000000000000 0.33533269228617 0.71109348292665 18.998 > 7 90 F 0.83333333333333 0.33533269228617 0.71109348292665 18.998 > 7 91 F 0.00000000000000 0.16466730771383 0.46109348292665 18.998 > 8 92 F 0.33333333333333 0.16466730771383 0.46109348292665 18.998 > 8 93 F 0.66666666666667 0.16466730771383 0.46109348292665 18.998 > 8 94 F 0.00000000000000 0.16466730771383 0.96109348292665 18.998 > 8 95 F 0.33333333333333 0.16466730771383 0.96109348292665 18.998 > 8 96 F 0.66666666666667 0.16466730771383 0.96109348292665 18.998 > 8 *97 Mg 0.16666666666667 0.58477729360654 0.09484567015195 24.305 > 9 98 Mg 0.50000000000000 0.58477729360654 0.09484567015195 24.305 > 9 99 Mg 0.83333333333333 0.58477729360654 0.09484567015195 24.305 > 9 100 Mg 0.16666666666667 0.58477729360654 0.59484567015195 24.305 > 9 101 Mg 0.50000000000000 0.58477729360654 0.59484567015195 24.305 > 9 102 Mg 0.83333333333333 0.58477729360654 0.59484567015195 24.305 > 9 103 Mg 0.00000000000000 0.91522270639346 0.34484567015195 24.305 > 10 104 Mg 0.33333333333333 0.91522270639346 0.34484567015195 24.305 > 10 105 Mg 0.66666666666667 0.91522270639346 0.34484567015195 24.305 > 10 106 Mg 0.00000000000000 0.91522270639346 0.84484567015195 24.305 > 10 107 Mg 0.33333333333333 0.91522270639346 0.84484567015195 24.305 > 10 108 Mg 0.66666666666667 0.91522270639346 0.84484567015195 24.305 > 10 109 Mg 0.00000000000000 0.08477729360654 0.09484567015195 24.305 > 9 110 Mg 0.33333333333333 0.08477729360654 0.09484567015195 24.305 > 9 111 Mg 0.66666666666667 0.08477729360654 0.09484567015195 24.305 > 9 112 Mg 0.00000000000000 0.08477729360654 0.59484567015195 24.305 > 9 113 Mg 0.33333333333333 0.08477729360654 0.59484567015195 24.305 > 9 114 Mg 0.66666666666667 0.08477729360654 0.59484567015195 24.305 > 9 115 Mg 0.16666666666667 0.41522270639346 0.34484567015195 24.305 > 10 116 Mg 0.50000000000000 0.41522270639346 0.34484567015195 24.305 > 10 117 Mg 0.83333333333333 0.41522270639346 0.34484567015195 24.305 > 10 118 Mg 0.16666666666667 0.41522270639346 0.84484567015195 24.305 > 10 119 Mg 0.50000000000000 0.41522270639346 0.84484567015195 24.305 > 10 120 Mg 0.83333333333333 0.41522270639346 0.84484567015195 24.305 > 10 *121 Ba 0.16666666666667 0.85062317119563 0.07369870546273 137.327 > 11 122 Ba 0.50000000000000 0.85062317119563 0.07369870546273 137.327 > 11 123 Ba 0.83333333333333 0.85062317119563 0.07369870546273 137.327 > 11 124 Ba 0.16666666666667 0.85062317119563 0.57369870546273 137.327 > 11 125 Ba 0.50000000000000 0.85062317119563 0.57369870546273 137.327 > 11 126 Ba 0.83333333333333 0.85062317119563 0.57369870546273 137.327 > 11 127 Ba 0.00000000000000 0.64937682880437 0.32369870546273 137.327 > 12 128 Ba 0.33333333333333 0.64937682880437 0.32369870546273 137.327 > 12 129 Ba 0.66666666666667 0.64937682880437 0.32369870546273 137.327 > 12 130 Ba 0.00000000000000 0.64937682880437 0.82369870546273 137.327 > 12 131 Ba 0.33333333333333 0.64937682880437 0.82369870546273 137.327 > 12 132 Ba 0.66666666666667 0.64937682880437 0.82369870546273 137.327 > 12 133 Ba 0.00000000000000 0.35062317119563 0.07369870546273 137.327 > 11 134 Ba 0.33333333333333 0.35062317119563 0.07369870546273 137.327 > 11 135 Ba 0.66666666666667 0.35062317119563 0.07369870546273 137.327 > 11 136 Ba 0.00000000000000 0.35062317119563 0.57369870546273 137.327 > 11 137 Ba 0.33333333333333 0.35062317119563 0.57369870546273 137.327 > 11 138 Ba 0.66666666666667 0.35062317119563 0.57369870546273 137.327 > 11 139 Ba 0.16666666666667 0.14937682880437 0.32369870546273 137.327 > 12 140 Ba 0.50000000000000 0.14937682880437 0.32369870546273 137.327 > 12 141 Ba 0.83333333333333 0.14937682880437 0.32369870546273 137.327 > 12 142 Ba 0.16666666666667 0.14937682880437 0.82369870546273 137.327 > 12 143 Ba 0.50000000000000 0.14937682880437 0.82369870546273 137.327 > 12 144 Ba 0.83333333333333 0.14937682880437 0.82369870546273 137.327 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3704086 0.0000000 0.0000000 0.0000000 2.2760197 0.0000000 0.0000000 0.0000000 2.3415305 -------------------------- Born effective charges -------------------------- 1 F -1.2937366 0.0000000 0.0000000 0.0000000 -0.9462250 -0.1186637 0.0000000 -0.0828190 -1.1370567 2 F -1.2937366 0.0000000 0.0000000 0.0000000 -0.9462250 0.1186637 0.0000000 0.0828190 -1.1370567 3 F -1.1989213 0.0000000 0.0000000 0.0000000 -1.2165271 0.1883417 0.0000000 0.2314369 -1.1814080 4 F -1.1989213 0.0000000 0.0000000 0.0000000 -1.2165271 -0.1883417 0.0000000 -0.2314369 -1.1814080 5 F -1.0478452 0.0000000 0.0000000 0.0000000 -1.2206578 -0.0875659 0.0000000 -0.0945938 -1.0773790 6 F -1.0478452 0.0000000 0.0000000 0.0000000 -1.2206578 0.0875659 0.0000000 0.0945938 -1.0773790 7 F -1.2805243 0.0000000 0.0000000 0.0000000 -0.9884515 -0.0001928 0.0000000 0.0056690 -1.2908045 8 F -1.2805243 0.0000000 0.0000000 0.0000000 -0.9884515 0.0001928 0.0000000 -0.0056690 -1.2908045 9 Mg 1.9913639 0.0000000 0.0000000 0.0000000 1.9667297 0.0803994 0.0000000 -0.0154808 2.0724961 10 Mg 1.9913639 0.0000000 0.0000000 0.0000000 1.9667297 -0.0803994 0.0000000 0.0154808 2.0724961 11 Ba 2.8296635 0.0000000 0.0000000 0.0000000 2.4051316 -0.1747176 0.0000000 -0.1557708 2.6141521 12 Ba 2.8296635 0.0000000 0.0000000 0.0000000 2.4051316 0.1747176 0.0000000 0.1557708 2.6141521 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2088 Number of blocks in projector: 2088 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2088, 2058), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (312, 306), data: True |-- (312, 306), data: True |-- (312, 306), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.705 Solver_block: 200 / 400 - Time: 0.673 Solver_block: 300 / 400 - Time: 0.681 Solver_block: 400 / 400 - Time: 0.668 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.802 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2088 Number of blocks in projector: 2088 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2088, 2058), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (312, 306), data: True |-- (312, 306), data: True |-- (312, 306), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), 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 2026-01-08 00:43:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:43:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.054782645000000 -7.269141245000000 0.000000000000000 b 2.054782645000000 7.269141245000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.848519710000000 Atomic positions (fractional): 1 F 0.42213645559151 0.57786354440849 0.20241995574530 18.998 2 F 0.57786354440849 0.42213645559151 0.70241995574530 18.998 3 F 0.80302338975852 0.19697661024148 0.38190331068865 18.998 4 F 0.19697661024148 0.80302338975852 0.88190331068865 18.998 5 F 0.02759534465430 0.97240465534570 0.00588102648339 18.998 6 F 0.97240465534570 0.02759534465430 0.50588102648339 18.998 7 F 0.16466730771383 0.83533269228617 0.42218696585330 18.998 8 F 0.83533269228617 0.16466730771383 0.92218696585330 18.998 9 Mg 0.91522270639346 0.08477729360654 0.18969134030391 24.305 10 Mg 0.08477729360654 0.91522270639346 0.68969134030391 24.305 11 Ba 0.64937682880437 0.35062317119563 0.14739741092546 137.327 12 Ba 0.35062317119563 0.64937682880437 0.64739741092546 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.328695870000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.538282490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.697039419999999 Atomic positions (fractional): 1 F 0.00000000000000 0.57786354440849 0.10120997787265 18.998 > 1 2 F 0.33333333333333 0.57786354440849 0.10120997787265 18.998 > 1 3 F 0.66666666666667 0.57786354440849 0.10120997787265 18.998 > 1 4 F 0.00000000000000 0.57786354440849 0.60120997787265 18.998 > 1 5 F 0.33333333333333 0.57786354440849 0.60120997787265 18.998 > 1 6 F 0.66666666666667 0.57786354440849 0.60120997787265 18.998 > 1 7 F 0.16666666666667 0.92213645559151 0.35120997787265 18.998 > 7 8 F 0.50000000000000 0.92213645559151 0.35120997787265 18.998 > 7 9 F 0.83333333333333 0.92213645559151 0.35120997787265 18.998 > 7 10 F 0.16666666666667 0.92213645559151 0.85120997787265 18.998 > 7 11 F 0.50000000000000 0.92213645559151 0.85120997787265 18.998 > 7 12 F 0.83333333333333 0.92213645559151 0.85120997787265 18.998 > 7 13 F 0.16666666666667 0.69697661024148 0.19095165534432 18.998 > 13 14 F 0.50000000000000 0.69697661024148 0.19095165534432 18.998 > 13 15 F 0.83333333333333 0.69697661024148 0.19095165534432 18.998 > 13 16 F 0.16666666666667 0.69697661024148 0.69095165534432 18.998 > 13 17 F 0.50000000000000 0.69697661024148 0.69095165534432 18.998 > 13 18 F 0.83333333333333 0.69697661024148 0.69095165534432 18.998 > 13 19 F 0.00000000000000 0.80302338975852 0.44095165534432 18.998 > 19 20 F 0.33333333333333 0.80302338975852 0.44095165534432 18.998 > 19 21 F 0.66666666666667 0.80302338975852 0.44095165534432 18.998 > 19 22 F 0.00000000000000 0.80302338975852 0.94095165534432 18.998 > 19 23 F 0.33333333333333 0.80302338975852 0.94095165534432 18.998 > 19 24 F 0.66666666666667 0.80302338975852 0.94095165534432 18.998 > 19 25 F 0.00000000000000 0.97240465534570 0.00294051324169 18.998 > 25 26 F 0.33333333333333 0.97240465534570 0.00294051324169 18.998 > 25 27 F 0.66666666666667 0.97240465534570 0.00294051324169 18.998 > 25 28 F 0.00000000000000 0.97240465534570 0.50294051324169 18.998 > 25 29 F 0.33333333333333 0.97240465534570 0.50294051324169 18.998 > 25 30 F 0.66666666666667 0.97240465534570 0.50294051324169 18.998 > 25 31 F 0.16666666666667 0.52759534465430 0.25294051324169 18.998 > 31 32 F 0.50000000000000 0.52759534465430 0.25294051324169 18.998 > 31 33 F 0.83333333333333 0.52759534465430 0.25294051324169 18.998 > 31 34 F 0.16666666666667 0.52759534465430 0.75294051324169 18.998 > 31 35 F 0.50000000000000 0.52759534465430 0.75294051324169 18.998 > 31 36 F 0.83333333333333 0.52759534465430 0.75294051324169 18.998 > 31 37 F 0.00000000000000 0.83533269228617 0.21109348292665 18.998 > 37 38 F 0.33333333333333 0.83533269228617 0.21109348292665 18.998 > 37 39 F 0.66666666666667 0.83533269228617 0.21109348292665 18.998 > 37 40 F 0.00000000000000 0.83533269228617 0.71109348292665 18.998 > 37 41 F 0.33333333333333 0.83533269228617 0.71109348292665 18.998 > 37 42 F 0.66666666666667 0.83533269228617 0.71109348292665 18.998 > 37 43 F 0.16666666666667 0.66466730771383 0.46109348292665 18.998 > 43 44 F 0.50000000000000 0.66466730771383 0.46109348292665 18.998 > 43 45 F 0.83333333333333 0.66466730771383 0.46109348292665 18.998 > 43 46 F 0.16666666666667 0.66466730771383 0.96109348292665 18.998 > 43 47 F 0.50000000000000 0.66466730771383 0.96109348292665 18.998 > 43 48 F 0.83333333333333 0.66466730771383 0.96109348292665 18.998 > 43 49 F 0.16666666666667 0.07786354440849 0.10120997787265 18.998 > 1 50 F 0.50000000000000 0.07786354440849 0.10120997787265 18.998 > 1 51 F 0.83333333333333 0.07786354440849 0.10120997787265 18.998 > 1 52 F 0.16666666666667 0.07786354440849 0.60120997787265 18.998 > 1 53 F 0.50000000000000 0.07786354440849 0.60120997787265 18.998 > 1 54 F 0.83333333333333 0.07786354440849 0.60120997787265 18.998 > 1 55 F 0.00000000000000 0.42213645559151 0.35120997787265 18.998 > 7 56 F 0.33333333333333 0.42213645559151 0.35120997787265 18.998 > 7 57 F 0.66666666666667 0.42213645559151 0.35120997787265 18.998 > 7 58 F 0.00000000000000 0.42213645559151 0.85120997787265 18.998 > 7 59 F 0.33333333333333 0.42213645559151 0.85120997787265 18.998 > 7 60 F 0.66666666666667 0.42213645559151 0.85120997787265 18.998 > 7 61 F 0.00000000000000 0.19697661024148 0.19095165534432 18.998 > 13 62 F 0.33333333333333 0.19697661024148 0.19095165534432 18.998 > 13 63 F 0.66666666666667 0.19697661024148 0.19095165534432 18.998 > 13 64 F 0.00000000000000 0.19697661024148 0.69095165534432 18.998 > 13 65 F 0.33333333333333 0.19697661024148 0.69095165534432 18.998 > 13 66 F 0.66666666666667 0.19697661024148 0.69095165534432 18.998 > 13 67 F 0.16666666666667 0.30302338975852 0.44095165534432 18.998 > 19 68 F 0.50000000000000 0.30302338975852 0.44095165534432 18.998 > 19 69 F 0.83333333333333 0.30302338975852 0.44095165534432 18.998 > 19 70 F 0.16666666666667 0.30302338975852 0.94095165534432 18.998 > 19 71 F 0.50000000000000 0.30302338975852 0.94095165534432 18.998 > 19 72 F 0.83333333333333 0.30302338975852 0.94095165534432 18.998 > 19 73 F 0.16666666666667 0.47240465534570 0.00294051324169 18.998 > 25 74 F 0.50000000000000 0.47240465534570 0.00294051324169 18.998 > 25 75 F 0.83333333333333 0.47240465534570 0.00294051324169 18.998 > 25 76 F 0.16666666666667 0.47240465534570 0.50294051324169 18.998 > 25 77 F 0.50000000000000 0.47240465534570 0.50294051324169 18.998 > 25 78 F 0.83333333333333 0.47240465534570 0.50294051324169 18.998 > 25 79 F 0.00000000000000 0.02759534465430 0.25294051324169 18.998 > 31 80 F 0.33333333333333 0.02759534465430 0.25294051324169 18.998 > 31 81 F 0.66666666666667 0.02759534465430 0.25294051324169 18.998 > 31 82 F 0.00000000000000 0.02759534465430 0.75294051324169 18.998 > 31 83 F 0.33333333333333 0.02759534465430 0.75294051324169 18.998 > 31 84 F 0.66666666666667 0.02759534465430 0.75294051324169 18.998 > 31 85 F 0.16666666666667 0.33533269228617 0.21109348292665 18.998 > 37 86 F 0.50000000000000 0.33533269228617 0.21109348292665 18.998 > 37 87 F 0.83333333333333 0.33533269228617 0.21109348292665 18.998 > 37 88 F 0.16666666666667 0.33533269228617 0.71109348292665 18.998 > 37 89 F 0.50000000000000 0.33533269228617 0.71109348292665 18.998 > 37 90 F 0.83333333333333 0.33533269228617 0.71109348292665 18.998 > 37 91 F 0.00000000000000 0.16466730771383 0.46109348292665 18.998 > 43 92 F 0.33333333333333 0.16466730771383 0.46109348292665 18.998 > 43 93 F 0.66666666666667 0.16466730771383 0.46109348292665 18.998 > 43 94 F 0.00000000000000 0.16466730771383 0.96109348292665 18.998 > 43 95 F 0.33333333333333 0.16466730771383 0.96109348292665 18.998 > 43 96 F 0.66666666666667 0.16466730771383 0.96109348292665 18.998 > 43 97 Mg 0.16666666666667 0.58477729360654 0.09484567015195 24.305 > 97 98 Mg 0.50000000000000 0.58477729360654 0.09484567015195 24.305 > 97 99 Mg 0.83333333333333 0.58477729360654 0.09484567015195 24.305 > 97 100 Mg 0.16666666666667 0.58477729360654 0.59484567015195 24.305 > 97 101 Mg 0.50000000000000 0.58477729360654 0.59484567015195 24.305 > 97 102 Mg 0.83333333333333 0.58477729360654 0.59484567015195 24.305 > 97 103 Mg 0.00000000000000 0.91522270639346 0.34484567015195 24.305 > 103 104 Mg 0.33333333333333 0.91522270639346 0.34484567015195 24.305 > 103 105 Mg 0.66666666666667 0.91522270639346 0.34484567015195 24.305 > 103 106 Mg 0.00000000000000 0.91522270639346 0.84484567015195 24.305 > 103 107 Mg 0.33333333333333 0.91522270639346 0.84484567015195 24.305 > 103 108 Mg 0.66666666666667 0.91522270639346 0.84484567015195 24.305 > 103 109 Mg 0.00000000000000 0.08477729360654 0.09484567015195 24.305 > 97 110 Mg 0.33333333333333 0.08477729360654 0.09484567015195 24.305 > 97 111 Mg 0.66666666666667 0.08477729360654 0.09484567015195 24.305 > 97 112 Mg 0.00000000000000 0.08477729360654 0.59484567015195 24.305 > 97 113 Mg 0.33333333333333 0.08477729360654 0.59484567015195 24.305 > 97 114 Mg 0.66666666666667 0.08477729360654 0.59484567015195 24.305 > 97 115 Mg 0.16666666666667 0.41522270639346 0.34484567015195 24.305 > 103 116 Mg 0.50000000000000 0.41522270639346 0.34484567015195 24.305 > 103 117 Mg 0.83333333333333 0.41522270639346 0.34484567015195 24.305 > 103 118 Mg 0.16666666666667 0.41522270639346 0.84484567015195 24.305 > 103 119 Mg 0.50000000000000 0.41522270639346 0.84484567015195 24.305 > 103 120 Mg 0.83333333333333 0.41522270639346 0.84484567015195 24.305 > 103 121 Ba 0.16666666666667 0.85062317119563 0.07369870546273 137.327 > 121 122 Ba 0.50000000000000 0.85062317119563 0.07369870546273 137.327 > 121 123 Ba 0.83333333333333 0.85062317119563 0.07369870546273 137.327 > 121 124 Ba 0.16666666666667 0.85062317119563 0.57369870546273 137.327 > 121 125 Ba 0.50000000000000 0.85062317119563 0.57369870546273 137.327 > 121 126 Ba 0.83333333333333 0.85062317119563 0.57369870546273 137.327 > 121 127 Ba 0.00000000000000 0.64937682880437 0.32369870546273 137.327 > 127 128 Ba 0.33333333333333 0.64937682880437 0.32369870546273 137.327 > 127 129 Ba 0.66666666666667 0.64937682880437 0.32369870546273 137.327 > 127 130 Ba 0.00000000000000 0.64937682880437 0.82369870546273 137.327 > 127 131 Ba 0.33333333333333 0.64937682880437 0.82369870546273 137.327 > 127 132 Ba 0.66666666666667 0.64937682880437 0.82369870546273 137.327 > 127 133 Ba 0.00000000000000 0.35062317119563 0.07369870546273 137.327 > 121 134 Ba 0.33333333333333 0.35062317119563 0.07369870546273 137.327 > 121 135 Ba 0.66666666666667 0.35062317119563 0.07369870546273 137.327 > 121 136 Ba 0.00000000000000 0.35062317119563 0.57369870546273 137.327 > 121 137 Ba 0.33333333333333 0.35062317119563 0.57369870546273 137.327 > 121 138 Ba 0.66666666666667 0.35062317119563 0.57369870546273 137.327 > 121 139 Ba 0.16666666666667 0.14937682880437 0.32369870546273 137.327 > 127 140 Ba 0.50000000000000 0.14937682880437 0.32369870546273 137.327 > 127 141 Ba 0.83333333333333 0.14937682880437 0.32369870546273 137.327 > 127 142 Ba 0.16666666666667 0.14937682880437 0.82369870546273 137.327 > 127 143 Ba 0.50000000000000 0.14937682880437 0.82369870546273 137.327 > 127 144 Ba 0.83333333333333 0.14937682880437 0.82369870546273 137.327 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3704086 0.0000000 0.0000000 0.0000000 2.2760197 0.0000000 0.0000000 0.0000000 2.3415305 -------------------------- Born effective charges -------------------------- 1 F -1.2937366 0.0000000 0.0000000 0.0000000 -0.9462250 -0.1186637 0.0000000 -0.0828190 -1.1370567 2 F -1.2937366 0.0000000 0.0000000 0.0000000 -0.9462250 0.1186637 0.0000000 0.0828190 -1.1370567 3 F -1.1989213 0.0000000 0.0000000 0.0000000 -1.2165271 0.1883417 0.0000000 0.2314369 -1.1814080 4 F -1.1989213 0.0000000 0.0000000 0.0000000 -1.2165271 -0.1883417 0.0000000 -0.2314369 -1.1814080 5 F -1.0478452 0.0000000 0.0000000 0.0000000 -1.2206578 -0.0875659 0.0000000 -0.0945938 -1.0773790 6 F -1.0478452 0.0000000 0.0000000 0.0000000 -1.2206578 0.0875659 0.0000000 0.0945938 -1.0773790 7 F -1.2805243 0.0000000 0.0000000 0.0000000 -0.9884515 -0.0001928 0.0000000 0.0056690 -1.2908045 8 F -1.2805243 0.0000000 0.0000000 0.0000000 -0.9884515 0.0001928 0.0000000 -0.0056690 -1.2908045 9 Mg 1.9913639 0.0000000 0.0000000 0.0000000 1.9667297 0.0803994 0.0000000 -0.0154808 2.0724961 10 Mg 1.9913639 0.0000000 0.0000000 0.0000000 1.9667297 -0.0803994 0.0000000 0.0154808 2.0724961 11 Ba 2.8296635 0.0000000 0.0000000 0.0000000 2.4051316 -0.1747176 0.0000000 -0.1557708 2.6141521 12 Ba 2.8296635 0.0000000 0.0000000 0.0000000 2.4051316 0.1747176 0.0000000 0.1557708 2.6141521 ---------------------------------------------------------------------------- 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, 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] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:43:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:43:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.054782645000000 -7.269141245000000 0.000000000000000 b 2.054782645000000 7.269141245000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.848519710000000 Atomic positions (fractional): 1 F 0.42213645559151 0.57786354440849 0.20241995574530 18.998 2 F 0.57786354440849 0.42213645559151 0.70241995574530 18.998 3 F 0.80302338975852 0.19697661024148 0.38190331068865 18.998 4 F 0.19697661024148 0.80302338975852 0.88190331068865 18.998 5 F 0.02759534465430 0.97240465534570 0.00588102648339 18.998 6 F 0.97240465534570 0.02759534465430 0.50588102648339 18.998 7 F 0.16466730771383 0.83533269228617 0.42218696585330 18.998 8 F 0.83533269228617 0.16466730771383 0.92218696585330 18.998 9 Mg 0.91522270639346 0.08477729360654 0.18969134030391 24.305 10 Mg 0.08477729360654 0.91522270639346 0.68969134030391 24.305 11 Ba 0.64937682880437 0.35062317119563 0.14739741092546 137.327 12 Ba 0.35062317119563 0.64937682880437 0.64739741092546 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.328695870000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.538282490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.697039419999999 Atomic positions (fractional): 1 F 0.00000000000000 0.57786354440849 0.10120997787265 18.998 > 1 2 F 0.33333333333333 0.57786354440849 0.10120997787265 18.998 > 1 3 F 0.66666666666667 0.57786354440849 0.10120997787265 18.998 > 1 4 F 0.00000000000000 0.57786354440849 0.60120997787265 18.998 > 1 5 F 0.33333333333333 0.57786354440849 0.60120997787265 18.998 > 1 6 F 0.66666666666667 0.57786354440849 0.60120997787265 18.998 > 1 7 F 0.16666666666667 0.92213645559151 0.35120997787265 18.998 > 7 8 F 0.50000000000000 0.92213645559151 0.35120997787265 18.998 > 7 9 F 0.83333333333333 0.92213645559151 0.35120997787265 18.998 > 7 10 F 0.16666666666667 0.92213645559151 0.85120997787265 18.998 > 7 11 F 0.50000000000000 0.92213645559151 0.85120997787265 18.998 > 7 12 F 0.83333333333333 0.92213645559151 0.85120997787265 18.998 > 7 13 F 0.16666666666667 0.69697661024148 0.19095165534432 18.998 > 13 14 F 0.50000000000000 0.69697661024148 0.19095165534432 18.998 > 13 15 F 0.83333333333333 0.69697661024148 0.19095165534432 18.998 > 13 16 F 0.16666666666667 0.69697661024148 0.69095165534432 18.998 > 13 17 F 0.50000000000000 0.69697661024148 0.69095165534432 18.998 > 13 18 F 0.83333333333333 0.69697661024148 0.69095165534432 18.998 > 13 19 F 0.00000000000000 0.80302338975852 0.44095165534432 18.998 > 19 20 F 0.33333333333333 0.80302338975852 0.44095165534432 18.998 > 19 21 F 0.66666666666667 0.80302338975852 0.44095165534432 18.998 > 19 22 F 0.00000000000000 0.80302338975852 0.94095165534432 18.998 > 19 23 F 0.33333333333333 0.80302338975852 0.94095165534432 18.998 > 19 24 F 0.66666666666667 0.80302338975852 0.94095165534432 18.998 > 19 25 F 0.00000000000000 0.97240465534570 0.00294051324169 18.998 > 25 26 F 0.33333333333333 0.97240465534570 0.00294051324169 18.998 > 25 27 F 0.66666666666667 0.97240465534570 0.00294051324169 18.998 > 25 28 F 0.00000000000000 0.97240465534570 0.50294051324169 18.998 > 25 29 F 0.33333333333333 0.97240465534570 0.50294051324169 18.998 > 25 30 F 0.66666666666667 0.97240465534570 0.50294051324169 18.998 > 25 31 F 0.16666666666667 0.52759534465430 0.25294051324169 18.998 > 31 32 F 0.50000000000000 0.52759534465430 0.25294051324169 18.998 > 31 33 F 0.83333333333333 0.52759534465430 0.25294051324169 18.998 > 31 34 F 0.16666666666667 0.52759534465430 0.75294051324169 18.998 > 31 35 F 0.50000000000000 0.52759534465430 0.75294051324169 18.998 > 31 36 F 0.83333333333333 0.52759534465430 0.75294051324169 18.998 > 31 37 F 0.00000000000000 0.83533269228617 0.21109348292665 18.998 > 37 38 F 0.33333333333333 0.83533269228617 0.21109348292665 18.998 > 37 39 F 0.66666666666667 0.83533269228617 0.21109348292665 18.998 > 37 40 F 0.00000000000000 0.83533269228617 0.71109348292665 18.998 > 37 41 F 0.33333333333333 0.83533269228617 0.71109348292665 18.998 > 37 42 F 0.66666666666667 0.83533269228617 0.71109348292665 18.998 > 37 43 F 0.16666666666667 0.66466730771383 0.46109348292665 18.998 > 43 44 F 0.50000000000000 0.66466730771383 0.46109348292665 18.998 > 43 45 F 0.83333333333333 0.66466730771383 0.46109348292665 18.998 > 43 46 F 0.16666666666667 0.66466730771383 0.96109348292665 18.998 > 43 47 F 0.50000000000000 0.66466730771383 0.96109348292665 18.998 > 43 48 F 0.83333333333333 0.66466730771383 0.96109348292665 18.998 > 43 49 F 0.16666666666667 0.07786354440849 0.10120997787265 18.998 > 1 50 F 0.50000000000000 0.07786354440849 0.10120997787265 18.998 > 1 51 F 0.83333333333333 0.07786354440849 0.10120997787265 18.998 > 1 52 F 0.16666666666667 0.07786354440849 0.60120997787265 18.998 > 1 53 F 0.50000000000000 0.07786354440849 0.60120997787265 18.998 > 1 54 F 0.83333333333333 0.07786354440849 0.60120997787265 18.998 > 1 55 F 0.00000000000000 0.42213645559151 0.35120997787265 18.998 > 7 56 F 0.33333333333333 0.42213645559151 0.35120997787265 18.998 > 7 57 F 0.66666666666667 0.42213645559151 0.35120997787265 18.998 > 7 58 F 0.00000000000000 0.42213645559151 0.85120997787265 18.998 > 7 59 F 0.33333333333333 0.42213645559151 0.85120997787265 18.998 > 7 60 F 0.66666666666667 0.42213645559151 0.85120997787265 18.998 > 7 61 F 0.00000000000000 0.19697661024148 0.19095165534432 18.998 > 13 62 F 0.33333333333333 0.19697661024148 0.19095165534432 18.998 > 13 63 F 0.66666666666667 0.19697661024148 0.19095165534432 18.998 > 13 64 F 0.00000000000000 0.19697661024148 0.69095165534432 18.998 > 13 65 F 0.33333333333333 0.19697661024148 0.69095165534432 18.998 > 13 66 F 0.66666666666667 0.19697661024148 0.69095165534432 18.998 > 13 67 F 0.16666666666667 0.30302338975852 0.44095165534432 18.998 > 19 68 F 0.50000000000000 0.30302338975852 0.44095165534432 18.998 > 19 69 F 0.83333333333333 0.30302338975852 0.44095165534432 18.998 > 19 70 F 0.16666666666667 0.30302338975852 0.94095165534432 18.998 > 19 71 F 0.50000000000000 0.30302338975852 0.94095165534432 18.998 > 19 72 F 0.83333333333333 0.30302338975852 0.94095165534432 18.998 > 19 73 F 0.16666666666667 0.47240465534570 0.00294051324169 18.998 > 25 74 F 0.50000000000000 0.47240465534570 0.00294051324169 18.998 > 25 75 F 0.83333333333333 0.47240465534570 0.00294051324169 18.998 > 25 76 F 0.16666666666667 0.47240465534570 0.50294051324169 18.998 > 25 77 F 0.50000000000000 0.47240465534570 0.50294051324169 18.998 > 25 78 F 0.83333333333333 0.47240465534570 0.50294051324169 18.998 > 25 79 F 0.00000000000000 0.02759534465430 0.25294051324169 18.998 > 31 80 F 0.33333333333333 0.02759534465430 0.25294051324169 18.998 > 31 81 F 0.66666666666667 0.02759534465430 0.25294051324169 18.998 > 31 82 F 0.00000000000000 0.02759534465430 0.75294051324169 18.998 > 31 83 F 0.33333333333333 0.02759534465430 0.75294051324169 18.998 > 31 84 F 0.66666666666667 0.02759534465430 0.75294051324169 18.998 > 31 85 F 0.16666666666667 0.33533269228617 0.21109348292665 18.998 > 37 86 F 0.50000000000000 0.33533269228617 0.21109348292665 18.998 > 37 87 F 0.83333333333333 0.33533269228617 0.21109348292665 18.998 > 37 88 F 0.16666666666667 0.33533269228617 0.71109348292665 18.998 > 37 89 F 0.50000000000000 0.33533269228617 0.71109348292665 18.998 > 37 90 F 0.83333333333333 0.33533269228617 0.71109348292665 18.998 > 37 91 F 0.00000000000000 0.16466730771383 0.46109348292665 18.998 > 43 92 F 0.33333333333333 0.16466730771383 0.46109348292665 18.998 > 43 93 F 0.66666666666667 0.16466730771383 0.46109348292665 18.998 > 43 94 F 0.00000000000000 0.16466730771383 0.96109348292665 18.998 > 43 95 F 0.33333333333333 0.16466730771383 0.96109348292665 18.998 > 43 96 F 0.66666666666667 0.16466730771383 0.96109348292665 18.998 > 43 97 Mg 0.16666666666667 0.58477729360654 0.09484567015195 24.305 > 97 98 Mg 0.50000000000000 0.58477729360654 0.09484567015195 24.305 > 97 99 Mg 0.83333333333333 0.58477729360654 0.09484567015195 24.305 > 97 100 Mg 0.16666666666667 0.58477729360654 0.59484567015195 24.305 > 97 101 Mg 0.50000000000000 0.58477729360654 0.59484567015195 24.305 > 97 102 Mg 0.83333333333333 0.58477729360654 0.59484567015195 24.305 > 97 103 Mg 0.00000000000000 0.91522270639346 0.34484567015195 24.305 > 103 104 Mg 0.33333333333333 0.91522270639346 0.34484567015195 24.305 > 103 105 Mg 0.66666666666667 0.91522270639346 0.34484567015195 24.305 > 103 106 Mg 0.00000000000000 0.91522270639346 0.84484567015195 24.305 > 103 107 Mg 0.33333333333333 0.91522270639346 0.84484567015195 24.305 > 103 108 Mg 0.66666666666667 0.91522270639346 0.84484567015195 24.305 > 103 109 Mg 0.00000000000000 0.08477729360654 0.09484567015195 24.305 > 97 110 Mg 0.33333333333333 0.08477729360654 0.09484567015195 24.305 > 97 111 Mg 0.66666666666667 0.08477729360654 0.09484567015195 24.305 > 97 112 Mg 0.00000000000000 0.08477729360654 0.59484567015195 24.305 > 97 113 Mg 0.33333333333333 0.08477729360654 0.59484567015195 24.305 > 97 114 Mg 0.66666666666667 0.08477729360654 0.59484567015195 24.305 > 97 115 Mg 0.16666666666667 0.41522270639346 0.34484567015195 24.305 > 103 116 Mg 0.50000000000000 0.41522270639346 0.34484567015195 24.305 > 103 117 Mg 0.83333333333333 0.41522270639346 0.34484567015195 24.305 > 103 118 Mg 0.16666666666667 0.41522270639346 0.84484567015195 24.305 > 103 119 Mg 0.50000000000000 0.41522270639346 0.84484567015195 24.305 > 103 120 Mg 0.83333333333333 0.41522270639346 0.84484567015195 24.305 > 103 121 Ba 0.16666666666667 0.85062317119563 0.07369870546273 137.327 > 121 122 Ba 0.50000000000000 0.85062317119563 0.07369870546273 137.327 > 121 123 Ba 0.83333333333333 0.85062317119563 0.07369870546273 137.327 > 121 124 Ba 0.16666666666667 0.85062317119563 0.57369870546273 137.327 > 121 125 Ba 0.50000000000000 0.85062317119563 0.57369870546273 137.327 > 121 126 Ba 0.83333333333333 0.85062317119563 0.57369870546273 137.327 > 121 127 Ba 0.00000000000000 0.64937682880437 0.32369870546273 137.327 > 127 128 Ba 0.33333333333333 0.64937682880437 0.32369870546273 137.327 > 127 129 Ba 0.66666666666667 0.64937682880437 0.32369870546273 137.327 > 127 130 Ba 0.00000000000000 0.64937682880437 0.82369870546273 137.327 > 127 131 Ba 0.33333333333333 0.64937682880437 0.82369870546273 137.327 > 127 132 Ba 0.66666666666667 0.64937682880437 0.82369870546273 137.327 > 127 133 Ba 0.00000000000000 0.35062317119563 0.07369870546273 137.327 > 121 134 Ba 0.33333333333333 0.35062317119563 0.07369870546273 137.327 > 121 135 Ba 0.66666666666667 0.35062317119563 0.07369870546273 137.327 > 121 136 Ba 0.00000000000000 0.35062317119563 0.57369870546273 137.327 > 121 137 Ba 0.33333333333333 0.35062317119563 0.57369870546273 137.327 > 121 138 Ba 0.66666666666667 0.35062317119563 0.57369870546273 137.327 > 121 139 Ba 0.16666666666667 0.14937682880437 0.32369870546273 137.327 > 127 140 Ba 0.50000000000000 0.14937682880437 0.32369870546273 137.327 > 127 141 Ba 0.83333333333333 0.14937682880437 0.32369870546273 137.327 > 127 142 Ba 0.16666666666667 0.14937682880437 0.82369870546273 137.327 > 127 143 Ba 0.50000000000000 0.14937682880437 0.82369870546273 137.327 > 127 144 Ba 0.83333333333333 0.14937682880437 0.82369870546273 137.327 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3704086 0.0000000 0.0000000 0.0000000 2.2760197 0.0000000 0.0000000 0.0000000 2.3415305 -------------------------- Born effective charges -------------------------- 1 F -1.2937366 0.0000000 0.0000000 0.0000000 -0.9462250 -0.1186637 0.0000000 -0.0828190 -1.1370567 2 F -1.2937366 0.0000000 0.0000000 0.0000000 -0.9462250 0.1186637 0.0000000 0.0828190 -1.1370567 3 F -1.1989213 0.0000000 0.0000000 0.0000000 -1.2165271 0.1883417 0.0000000 0.2314369 -1.1814080 4 F -1.1989213 0.0000000 0.0000000 0.0000000 -1.2165271 -0.1883417 0.0000000 -0.2314369 -1.1814080 5 F -1.0478452 0.0000000 0.0000000 0.0000000 -1.2206578 -0.0875659 0.0000000 -0.0945938 -1.0773790 6 F -1.0478452 0.0000000 0.0000000 0.0000000 -1.2206578 0.0875659 0.0000000 0.0945938 -1.0773790 7 F -1.2805243 0.0000000 0.0000000 0.0000000 -0.9884515 -0.0001928 0.0000000 0.0056690 -1.2908045 8 F -1.2805243 0.0000000 0.0000000 0.0000000 -0.9884515 0.0001928 0.0000000 -0.0056690 -1.2908045 9 Mg 1.9913639 0.0000000 0.0000000 0.0000000 1.9667297 0.0803994 0.0000000 -0.0154808 2.0724961 10 Mg 1.9913639 0.0000000 0.0000000 0.0000000 1.9667297 -0.0803994 0.0000000 0.0154808 2.0724961 11 Ba 2.8296635 0.0000000 0.0000000 0.0000000 2.4051316 -0.1747176 0.0000000 -0.1557708 2.6141521 12 Ba 2.8296635 0.0000000 0.0000000 0.0000000 2.4051316 0.1747176 0.0000000 0.1557708 2.6141521 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) 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 ... [ 13 13 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.74, Number of G-points: 289, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/245) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 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 1.519 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 -0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 -0.000) 0.000 4.060 ( 0.000 0.000 -0.000) 0.000 4.687 ( 0.000 0.000 -0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 5.074 ( 0.000 0.000 -0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 5.571 ( 0.000 0.000 -0.000) 0.000 5.966 ( 0.000 0.000 0.000) 0.000 6.059 ( 0.000 0.000 0.000) 0.000 6.113 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.717 ( 0.000 0.000 0.000) 0.000 7.487 ( 0.000 0.000 -0.000) 0.000 7.717 ( 0.000 0.000 -0.000) 0.000 7.959 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 -0.000) 0.000 8.551 ( 0.000 0.000 -0.000) 0.000 8.801 ( 0.000 0.000 -0.000) 0.000 9.069 ( 0.000 0.000 -0.000) 0.000 9.729 ( 0.000 0.000 -0.000) 0.000 10.356 ( 0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 11.091 ( 0.000 0.000 -0.000) 0.000 11.329 ( 0.000 0.000 -0.000) 0.000 12.525 ( 0.000 0.000 0.000) 0.000 13.535 ( 0.000 0.000 0.000) 0.000 14.056 ( 0.000 0.000 0.000) 0.000 14.848 ( 0.000 0.000 -0.000) 0.000 14.986 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/245) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 21.974 -8.486 0.000) 23.556 0.649 ( 32.637 -4.651 0.000) 32.966 1.049 ( 52.395 -7.162 0.000) 52.882 1.632 ( -3.275 -25.605 0.000) 25.814 2.290 ( -3.737 -1.355 0.000) 3.975 2.528 ( 4.652 1.291 0.000) 4.828 2.924 ( -2.030 3.450 0.000) 4.003 3.261 ( 10.055 -8.060 0.000) 12.887 4.411 ( -2.543 7.270 0.000) 7.702 4.621 ( -9.748 -3.923 0.000) 10.508 4.731 ( -0.435 -3.303 0.000) 3.331 5.172 ( 11.182 -0.187 0.000) 11.184 5.293 ( -19.820 0.152 0.000) 19.820 5.687 ( 11.604 1.179 0.000) 11.664 6.015 ( -3.140 1.218 0.000) 3.368 6.082 ( 2.940 -2.033 0.000) 3.574 6.147 ( 8.145 -1.928 0.000) 8.370 6.656 ( 12.928 2.322 0.000) 13.135 6.864 ( 13.121 -1.418 0.000) 13.198 7.434 ( -4.704 -0.160 0.000) 4.707 7.814 ( 1.855 0.474 0.000) 1.914 8.139 ( 2.382 1.054 0.000) 2.604 8.513 ( -2.010 4.976 0.000) 5.367 8.825 ( 3.862 1.703 0.000) 4.221 9.057 ( -2.120 -3.296 0.000) 3.919 9.691 ( -4.194 -1.010 0.000) 4.314 10.190 ( 9.823 39.332 0.000) 40.541 10.359 ( 1.201 3.615 0.000) 3.810 10.599 ( -12.111 -18.665 0.000) 22.250 11.021 ( -6.972 -2.698 0.000) 7.475 12.489 ( 14.389 35.560 0.000) 38.361 13.462 ( 3.935 28.061 0.000) 28.336 13.605 ( -1.005 14.340 0.000) 14.376 14.101 ( 4.346 2.525 0.000) 5.027 14.847 ( -0.544 -1.458 0.000) 1.557 15.217 ( -20.267 -69.257 0.000) 72.162 ======================= Grid point 2 (3/245) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 13.061 -7.703 0.000) 15.163 1.252 ( 28.566 -4.484 0.000) 28.916 1.762 ( 9.296 -9.229 0.000) 13.099 1.981 ( 31.931 -4.962 0.000) 32.315 2.230 ( 5.492 -4.100 0.000) 6.853 2.671 ( 11.822 1.745 0.000) 11.950 2.881 ( -0.351 1.500 0.000) 1.541 3.533 ( 14.814 -1.550 0.000) 14.895 4.296 ( -6.429 1.900 0.000) 6.704 4.391 ( -15.894 -1.918 0.000) 16.009 4.722 ( -1.304 0.916 0.000) 1.593 4.921 ( -18.119 -1.104 0.000) 18.152 5.490 ( 21.649 2.483 0.000) 21.791 5.880 ( 4.567 4.310 0.000) 6.280 5.989 ( 4.527 -2.826 0.000) 5.337 6.097 ( -0.567 -4.357 0.000) 4.394 6.429 ( 19.566 1.382 0.000) 19.614 6.901 ( 10.379 -2.188 0.000) 10.607 7.139 ( 14.704 1.745 0.000) 14.807 7.376 ( 1.401 1.093 0.000) 1.777 7.829 ( -0.055 1.518 0.000) 1.519 8.182 ( 2.291 0.854 0.000) 2.445 8.429 ( -4.000 3.951 0.000) 5.622 8.911 ( 4.549 2.576 0.000) 5.228 9.047 ( -0.195 -8.634 0.000) 8.636 9.591 ( -6.858 -1.154 0.000) 6.955 10.150 ( 0.997 15.842 0.000) 15.873 10.335 ( -5.963 -2.834 0.000) 6.602 10.444 ( -4.984 2.818 0.000) 5.726 10.908 ( -6.715 -5.227 0.000) 8.509 12.560 ( 9.515 25.241 0.000) 26.975 13.348 ( -3.345 14.495 0.000) 14.876 13.525 ( -3.460 -0.131 0.000) 3.462 14.155 ( 1.854 0.824 0.000) 2.028 14.842 ( -1.122 -2.355 0.000) 2.609 15.198 ( -10.166 -31.197 0.000) 32.812 ======================= Grid point 3 (4/245) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 4.525 -4.897 0.000) 6.667 1.717 ( 14.683 -3.503 0.000) 15.095 1.987 ( -4.291 -5.027 0.000) 6.609 2.047 ( 14.593 -6.878 0.000) 16.132 2.812 ( 23.623 5.572 0.000) 24.272 2.895 ( 10.255 0.402 0.000) 10.263 3.049 ( 27.257 -7.871 0.000) 28.371 3.768 ( 8.281 3.035 0.000) 8.820 4.052 ( -17.405 -0.730 0.000) 17.420 4.199 ( -4.890 -0.174 0.000) 4.893 4.639 ( -8.067 -1.138 0.000) 8.147 4.716 ( -2.930 -1.067 0.000) 3.118 5.733 ( 0.568 9.212 0.000) 9.230 5.995 ( 16.307 2.206 0.000) 16.455 6.127 ( 3.106 -8.650 0.000) 9.191 6.168 ( 9.019 -3.386 0.000) 9.634 6.764 ( 12.035 6.248 0.000) 13.560 7.026 ( 5.838 -8.855 0.000) 10.606 7.394 ( 15.337 6.804 0.000) 16.779 7.508 ( 10.599 5.673 0.000) 12.022 7.807 ( 0.338 1.802 0.000) 1.833 8.197 ( -0.887 -0.308 0.000) 0.939 8.341 ( -3.988 -0.918 0.000) 4.092 8.895 ( -4.270 -1.713 0.000) 4.601 9.193 ( 7.714 -6.543 0.000) 10.116 9.457 ( -7.389 0.021 0.000) 7.389 10.042 ( -5.785 1.730 0.000) 6.038 10.218 ( -4.426 -2.518 0.000) 5.092 10.420 ( 3.663 11.956 0.000) 12.505 10.833 ( -4.185 -6.279 0.000) 7.546 12.557 ( 4.102 24.477 0.000) 24.819 13.215 ( -5.423 3.321 0.000) 6.359 13.468 ( -2.763 -0.068 0.000) 2.763 14.152 ( -2.273 -0.991 0.000) 2.480 14.831 ( -1.364 -2.501 0.000) 2.849 15.165 ( -7.217 -17.482 0.000) 18.913 ======================= Grid point 4 (5/245) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 0.899 -0.373 0.000) 0.973 1.677 ( -11.792 -7.332 0.000) 13.885 2.162 ( 12.064 -4.170 0.000) 12.765 2.374 ( 14.690 -7.092 0.000) 16.312 2.984 ( 8.184 1.556 0.000) 8.331 3.244 ( 20.993 4.403 0.000) 21.449 3.632 ( 10.621 -2.200 0.000) 10.846 3.714 ( 3.949 -3.146 0.000) 5.049 3.870 ( -2.302 4.222 0.000) 4.809 4.148 ( -0.699 -0.744 0.000) 1.021 4.549 ( -2.854 -2.245 0.000) 3.632 4.715 ( 1.729 -1.673 0.000) 2.406 5.620 ( -5.179 9.322 0.000) 10.664 6.123 ( 2.025 -2.944 0.000) 3.573 6.309 ( 6.342 -8.001 0.000) 10.210 6.458 ( 18.521 0.698 0.000) 18.535 6.761 ( -4.281 0.972 0.000) 4.390 7.301 ( 14.679 -2.383 0.000) 14.871 7.484 ( -1.532 12.920 0.000) 13.011 7.695 ( 14.936 7.367 0.000) 16.654 7.910 ( 10.011 0.038 0.000) 10.011 8.148 ( -4.464 -0.697 0.000) 4.518 8.307 ( -1.693 -6.778 0.000) 6.987 8.810 ( -6.322 -4.955 0.000) 8.033 9.233 ( -8.264 -2.254 0.000) 8.566 9.349 ( -2.680 -0.251 0.000) 2.692 10.022 ( 2.405 0.241 0.000) 2.417 10.203 ( 0.999 -2.347 0.000) 2.551 10.426 ( 4.486 7.743 0.000) 8.949 10.852 ( 3.599 -5.912 0.000) 6.922 12.460 ( -0.950 22.350 0.000) 22.370 13.112 ( -4.931 -0.937 0.000) 5.019 13.422 ( -2.150 0.130 0.000) 2.154 14.085 ( -5.432 -2.128 0.000) 5.834 14.820 ( -1.007 -2.130 0.000) 2.356 15.112 ( -6.284 -10.066 0.000) 11.866 ======================= Grid point 5 (6/245) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -1.528 3.682 0.000) 3.987 1.520 ( -8.942 -9.436 0.000) 13.000 2.365 ( 7.602 -3.499 0.000) 8.368 2.637 ( 8.791 -6.340 0.000) 10.839 3.102 ( 3.892 2.417 0.000) 4.582 3.487 ( 1.069 -1.323 0.000) 1.701 3.621 ( 9.416 0.660 0.000) 9.439 3.793 ( 3.498 4.969 0.000) 6.077 3.965 ( 0.251 3.322 0.000) 3.332 4.273 ( 12.800 -4.149 0.000) 13.456 4.510 ( -3.228 -1.039 0.000) 3.391 4.797 ( 5.317 -3.760 0.000) 6.512 5.466 ( -5.834 8.612 0.000) 10.402 6.176 ( 2.040 -2.644 0.000) 3.339 6.434 ( 1.672 -7.679 0.000) 7.859 6.691 ( -0.020 -6.227 0.000) 6.227 6.747 ( 10.713 6.493 0.000) 12.527 7.306 ( -6.497 11.072 0.000) 12.838 7.573 ( 11.331 1.147 0.000) 11.389 7.897 ( 9.235 5.811 0.000) 10.911 8.056 ( -4.272 0.709 0.000) 4.331 8.102 ( 9.380 0.832 0.000) 9.417 8.343 ( 0.851 -8.170 0.000) 8.214 8.722 ( -5.474 -5.257 0.000) 7.590 9.024 ( -12.590 -0.986 0.000) 12.628 9.335 ( 0.434 -2.213 0.000) 2.255 10.025 ( -0.439 3.371 0.000) 3.400 10.152 ( -5.539 5.982 0.000) 8.152 10.621 ( 13.362 -6.099 0.000) 14.688 11.030 ( 11.767 -4.945 0.000) 12.764 12.295 ( -5.154 17.549 0.000) 18.290 13.037 ( -3.627 -1.116 0.000) 3.795 13.388 ( -1.378 0.100 0.000) 1.381 13.988 ( -5.676 -2.205 0.000) 6.089 14.818 ( -0.300 -1.484 0.000) 1.514 15.042 ( -5.249 -5.182 0.000) 7.376 ======================= Grid point 6 (7/245) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -1.304 2.170 0.000) 2.531 1.446 ( -3.010 -4.198 0.000) 5.166 2.484 ( 3.097 -1.832 0.000) 3.598 2.755 ( 1.601 -2.824 0.000) 3.246 3.117 ( 0.527 2.111 0.000) 2.175 3.524 ( 1.118 0.657 0.000) 1.297 3.695 ( 2.897 -5.690 0.000) 6.385 3.865 ( -4.784 5.793 0.000) 7.513 4.000 ( 11.212 2.280 0.000) 11.441 4.408 ( -4.145 -0.500 0.000) 4.175 4.481 ( 3.387 -1.455 0.000) 3.686 4.924 ( 4.448 -3.052 0.000) 5.394 5.334 ( -3.483 4.566 0.000) 5.743 6.219 ( 1.148 -0.990 0.000) 1.516 6.449 ( -1.288 -1.933 0.000) 2.323 6.773 ( 2.697 -12.891 0.000) 13.170 6.847 ( 3.523 11.012 0.000) 11.562 7.147 ( -4.213 5.106 0.000) 6.620 7.729 ( 5.366 1.179 0.000) 5.494 7.954 ( -1.745 -2.260 0.000) 2.855 8.011 ( 1.616 4.062 0.000) 4.371 8.235 ( 4.445 0.891 0.000) 4.533 8.397 ( 0.862 -3.274 0.000) 3.386 8.687 ( 0.081 -2.383 0.000) 2.384 8.819 ( -8.482 -0.566 0.000) 8.501 9.376 ( 1.645 -1.953 0.000) 2.554 9.997 ( -0.122 5.240 0.000) 5.241 10.022 ( -4.272 -0.163 0.000) 4.275 10.836 ( 5.413 -2.767 0.000) 6.079 11.281 ( 9.126 -4.017 0.000) 9.970 12.113 ( -5.055 8.387 0.000) 9.793 12.993 ( -1.405 -0.355 0.000) 1.449 13.370 ( -0.473 0.032 0.000) 0.474 13.916 ( -2.419 -0.960 0.000) 2.602 14.823 ( 0.143 -0.555 0.000) 0.573 14.984 ( -2.325 -1.571 0.000) 2.805 ======================= Grid point 14 (8/245) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 14.553 -0.000 0.000) 14.553 1.228 ( 29.311 -0.000 0.000) 29.311 1.706 ( 11.721 -0.000 0.000) 11.721 1.955 ( 36.570 -0.000 0.000) 36.570 2.208 ( 3.505 -0.000 0.000) 3.505 2.681 ( 11.460 -0.000 0.000) 11.460 2.889 ( -1.352 0.000 0.000) 1.352 3.525 ( 16.543 -0.000 0.000) 16.543 4.309 ( -7.024 0.000 0.000) 7.024 4.378 ( -15.853 0.000 0.000) 15.853 4.727 ( -0.689 0.000 0.000) 0.689 4.914 ( -18.817 0.000 0.000) 18.817 5.503 ( 22.621 -0.000 0.000) 22.621 5.919 ( 10.277 -0.000 0.000) 10.277 5.958 ( -2.920 0.000 0.000) 2.920 6.073 ( 0.277 -0.000 0.000) 0.277 6.437 ( 20.610 -0.000 0.000) 20.610 6.888 ( 8.329 -0.000 0.000) 8.329 7.150 ( 16.390 -0.000 0.000) 16.390 7.381 ( 1.780 -0.000 0.000) 1.780 7.837 ( 0.194 -0.000 0.000) 0.194 8.187 ( 1.879 -0.000 0.000) 1.879 8.453 ( -5.175 0.000 0.000) 5.175 8.939 ( 8.659 -0.000 0.000) 8.659 8.984 ( -4.556 0.000 0.000) 4.556 9.584 ( -6.572 0.000 0.000) 6.572 10.246 ( -2.643 0.000 0.000) 2.643 10.304 ( -14.078 0.000 0.000) 14.078 10.471 ( 3.846 -0.000 0.000) 3.846 10.875 ( -7.048 0.000 0.000) 7.048 12.704 ( 6.045 -0.000 0.000) 6.045 13.470 ( -12.677 0.000 0.000) 12.677 13.501 ( -1.700 0.000 0.000) 1.700 14.164 ( 0.884 -0.000 0.000) 0.884 14.837 ( -0.605 0.000 0.000) 0.605 14.992 ( 0.143 -0.000 0.000) 0.143 ======================= Grid point 15 (9/245) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 6.545 -1.865 0.000) 6.805 1.692 ( 15.524 -1.174 0.000) 15.568 1.953 ( -5.378 -1.289 0.000) 5.530 1.990 ( 15.622 -3.234 0.000) 15.953 2.870 ( 35.412 4.476 0.000) 35.694 2.899 ( 5.736 0.578 0.000) 5.765 2.974 ( 20.953 -5.748 0.000) 21.727 3.790 ( 9.237 1.101 0.000) 9.303 4.047 ( -17.309 -0.183 0.000) 17.310 4.197 ( -4.711 -0.126 0.000) 4.713 4.632 ( -10.363 -0.283 0.000) 10.367 4.707 ( -1.452 -0.460 0.000) 1.523 5.815 ( 0.913 5.259 0.000) 5.338 6.013 ( 10.432 0.619 0.000) 10.450 6.047 ( 10.968 -4.704 0.000) 11.934 6.142 ( 6.488 -1.545 0.000) 6.669 6.838 ( 14.528 7.399 0.000) 16.304 6.933 ( 3.918 -8.292 0.000) 9.171 7.448 ( 16.267 2.986 0.000) 16.539 7.545 ( 12.773 1.486 0.000) 12.859 7.821 ( -0.776 0.767 0.000) 1.091 8.194 ( -1.310 -0.179 0.000) 1.322 8.338 ( -6.437 0.031 0.000) 6.437 8.882 ( -6.131 -0.667 0.000) 6.167 9.142 ( 9.991 -2.619 0.000) 10.329 9.458 ( -6.663 0.005 0.000) 6.663 10.046 ( -10.548 -0.206 0.000) 10.550 10.200 ( -2.783 -0.792 0.000) 2.893 10.537 ( 5.352 8.037 0.000) 9.655 10.766 ( -5.691 -5.200 0.000) 7.709 12.764 ( 3.482 11.944 0.000) 12.441 13.228 ( -11.734 -0.265 0.000) 11.737 13.465 ( -2.256 -0.268 0.000) 2.272 14.145 ( -2.906 -0.358 0.000) 2.928 14.822 ( -0.658 0.483 0.000) 0.817 15.015 ( -1.571 -9.030 0.000) 9.166 ======================= Grid point 16 (10/245) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 3.691 0.073 0.000) 3.691 1.612 ( -13.834 -4.592 0.000) 14.576 2.131 ( 13.169 -1.909 0.000) 13.307 2.312 ( 15.175 -4.313 0.000) 15.776 2.998 ( 7.653 1.022 0.000) 7.721 3.289 ( 19.995 3.560 0.000) 20.310 3.604 ( 25.664 -2.738 0.000) 25.809 3.683 ( -8.391 -2.236 0.000) 8.684 3.914 ( -1.944 3.554 0.000) 4.051 4.138 ( -1.822 -0.968 0.000) 2.063 4.532 ( -1.596 -1.002 0.000) 1.884 4.701 ( 0.809 -0.922 0.000) 1.227 5.714 ( -5.200 7.904 0.000) 9.461 6.068 ( 0.730 -6.564 0.000) 6.605 6.256 ( 5.897 -2.367 0.000) 6.354 6.460 ( 19.690 -0.105 0.000) 19.691 6.775 ( -5.401 1.335 0.000) 5.564 7.278 ( 17.397 -1.706 0.000) 17.480 7.607 ( -1.845 9.478 0.000) 9.655 7.751 ( 14.899 3.020 0.000) 15.202 7.915 ( 11.163 0.773 0.000) 11.190 8.139 ( -4.565 -0.978 0.000) 4.668 8.243 ( -4.200 -4.670 0.000) 6.281 8.769 ( -6.597 -2.710 0.000) 7.132 9.210 ( -6.181 -1.705 0.000) 6.412 9.350 ( -3.962 0.265 0.000) 3.971 10.013 ( 5.690 -1.433 0.000) 5.868 10.165 ( -1.089 -3.053 0.000) 3.241 10.543 ( 0.817 11.858 0.000) 11.886 10.779 ( 4.579 -7.780 0.000) 9.027 12.692 ( -2.125 20.584 0.000) 20.693 13.063 ( -8.083 -8.339 0.000) 11.614 13.424 ( -2.065 0.261 0.000) 2.082 14.067 ( -5.560 -1.284 0.000) 5.706 14.810 ( -0.355 0.133 0.000) 0.379 15.016 ( -2.966 -7.435 0.000) 8.004 ======================= Grid point 17 (11/245) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -0.021 5.077 0.000) 5.077 1.418 ( -8.706 -9.400 0.000) 12.812 2.337 ( 8.210 -1.833 0.000) 8.412 2.575 ( 9.616 -4.971 0.000) 10.825 3.132 ( 6.067 2.946 0.000) 6.744 3.464 ( -1.707 -2.608 0.000) 3.117 3.635 ( 7.879 1.698 0.000) 8.060 3.844 ( 3.382 4.440 0.000) 5.581 3.986 ( 1.638 0.802 0.000) 1.824 4.231 ( 14.128 -3.667 0.000) 14.597 4.510 ( -2.442 0.654 0.000) 2.528 4.759 ( 4.332 -3.126 0.000) 5.342 5.559 ( -6.479 8.544 0.000) 10.723 6.126 ( 1.670 -6.454 0.000) 6.666 6.371 ( 4.296 -3.922 0.000) 5.817 6.640 ( -2.407 -3.577 0.000) 4.311 6.802 ( 11.095 3.925 0.000) 11.769 7.426 ( -5.948 11.061 0.000) 12.559 7.578 ( 10.441 0.005 0.000) 10.441 7.941 ( 3.586 2.444 0.000) 4.340 8.068 ( -0.168 1.438 0.000) 1.448 8.113 ( 8.710 1.364 0.000) 8.816 8.256 ( 2.438 -7.940 0.000) 8.305 8.678 ( -4.278 -3.151 0.000) 5.313 9.015 ( -12.375 -0.607 0.000) 12.389 9.314 ( -0.369 -1.696 0.000) 1.736 10.055 ( -0.678 2.868 0.000) 2.947 10.180 ( -4.185 -0.936 0.000) 4.288 10.597 ( 11.751 1.391 0.000) 11.833 10.977 ( 11.798 -4.968 0.000) 12.801 12.487 ( -8.085 18.241 0.000) 19.952 12.994 ( -4.303 -7.087 0.000) 8.291 13.389 ( -1.461 0.155 0.000) 1.470 13.968 ( -5.167 -1.438 0.000) 5.364 14.809 ( 0.253 -0.136 0.000) 0.287 14.989 ( -2.990 -4.550 0.000) 5.444 ======================= Grid point 18 (12/245) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -4.174 1.611 0.000) 4.474 1.404 ( 1.979 -3.502 0.000) 4.022 2.468 ( 4.772 -1.093 0.000) 4.896 2.715 ( 3.255 -4.097 0.000) 5.232 3.166 ( 1.199 6.621 0.000) 6.729 3.526 ( 3.362 -0.905 0.000) 3.482 3.627 ( -1.393 -6.237 0.000) 6.391 3.912 ( -5.587 2.985 0.000) 6.334 4.025 ( 9.276 2.232 0.000) 9.541 4.418 ( -2.829 2.172 0.000) 3.567 4.467 ( 5.084 -1.175 0.000) 5.218 4.881 ( 5.252 -4.588 0.000) 6.974 5.396 ( -5.945 6.693 0.000) 8.952 6.188 ( 1.301 -4.713 0.000) 4.889 6.438 ( 1.830 -0.040 0.000) 1.831 6.651 ( 0.694 -9.873 0.000) 9.897 6.937 ( 5.291 5.894 0.000) 7.920 7.230 ( -7.170 10.196 0.000) 12.464 7.731 ( 3.777 -0.832 0.000) 3.867 7.922 ( -2.211 -3.613 0.000) 4.236 8.051 ( -0.770 3.127 0.000) 3.221 8.241 ( 3.220 0.152 0.000) 3.223 8.367 ( 4.878 -2.265 0.000) 5.378 8.669 ( 2.595 -1.001 0.000) 2.781 8.817 ( -7.458 0.178 0.000) 7.460 9.349 ( 2.278 -2.844 0.000) 3.644 10.015 ( -3.920 0.217 0.000) 3.926 10.046 ( -4.959 2.644 0.000) 5.619 10.821 ( 8.786 -0.004 0.000) 8.786 11.229 ( 10.277 -5.435 0.000) 11.626 12.222 ( -10.580 11.649 0.000) 15.737 12.967 ( -1.794 -4.317 0.000) 4.675 13.369 ( -0.592 -0.107 0.000) 0.601 13.909 ( -1.330 -0.466 0.000) 1.409 14.820 ( 0.746 -0.005 0.000) 0.746 14.967 ( -0.557 -1.572 0.000) 1.668 ======================= Grid point 19 (13/245) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -0.349 -2.196 0.000) 2.223 1.489 ( 6.830 3.848 0.000) 7.840 2.506 ( -0.858 2.438 0.000) 2.585 2.765 ( 0.541 -0.952 0.000) 1.095 3.131 ( -1.162 4.800 0.000) 4.939 3.516 ( -1.393 -0.955 0.000) 1.689 3.724 ( 0.713 -2.162 0.000) 2.277 3.808 ( -0.943 -2.691 0.000) 2.852 3.978 ( -12.433 -1.875 0.000) 12.573 4.429 ( 4.006 3.353 0.000) 5.224 4.497 ( -1.017 1.562 0.000) 1.864 4.937 ( -2.258 -0.768 0.000) 2.385 5.308 ( -0.264 -0.224 0.000) 0.346 6.212 ( -0.689 -1.942 0.000) 2.060 6.474 ( 3.141 2.348 0.000) 3.922 6.720 ( -1.447 -11.978 0.000) 12.065 6.912 ( -3.027 12.570 0.000) 12.930 7.121 ( 0.196 0.175 0.000) 0.262 7.704 ( -6.874 -3.851 0.000) 7.879 7.953 ( 2.627 -3.113 0.000) 4.073 7.987 ( -5.129 0.590 0.000) 5.162 8.222 ( -4.977 -1.612 0.000) 5.232 8.432 ( 2.229 3.266 0.000) 3.954 8.719 ( 2.838 3.758 0.000) 4.710 8.828 ( 9.075 1.031 0.000) 9.133 9.387 ( -0.003 0.207 0.000) 0.207 9.930 ( -3.062 -6.718 0.000) 7.383 10.029 ( 1.567 0.884 0.000) 1.800 10.876 ( -1.701 4.670 0.000) 4.971 11.306 ( -5.990 0.402 0.000) 6.003 12.055 ( -2.290 -2.393 0.000) 3.312 12.976 ( 0.721 -3.153 0.000) 3.234 13.368 ( 0.371 -0.269 0.000) 0.458 13.928 ( 3.472 1.207 0.000) 3.676 14.831 ( 0.675 0.951 0.000) 1.166 14.999 ( 3.993 1.256 0.000) 4.186 ======================= Grid point 20 (14/245) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 2.826 -2.396 0.000) 3.705 1.613 ( 9.623 7.981 0.000) 12.502 2.412 ( -6.545 5.328 0.000) 8.439 2.698 ( -7.468 4.709 0.000) 8.829 3.089 ( -2.922 0.459 0.000) 2.958 3.487 ( -4.858 -1.461 0.000) 5.073 3.623 ( -9.854 0.997 0.000) 9.905 3.743 ( -2.455 -4.210 0.000) 4.873 3.917 ( 0.762 -5.531 0.000) 5.583 4.314 ( -11.373 3.481 0.000) 11.894 4.535 ( 3.673 3.588 0.000) 5.135 4.834 ( -5.872 2.912 0.000) 6.554 5.382 ( 4.804 -6.935 0.000) 8.437 6.188 ( -2.106 0.128 0.000) 2.110 6.511 ( 1.115 5.023 0.000) 5.145 6.670 ( -9.510 -6.661 0.000) 11.611 6.776 ( -2.668 9.580 0.000) 9.945 7.203 ( 4.979 -7.950 0.000) 9.381 7.551 ( -11.081 -3.131 0.000) 11.515 7.827 ( -12.529 -6.752 0.000) 14.233 8.051 ( 5.707 -0.277 0.000) 5.714 8.094 ( -8.960 -0.783 0.000) 8.994 8.424 ( 0.018 6.921 0.000) 6.921 8.788 ( 6.866 7.050 0.000) 9.841 9.035 ( 12.509 1.097 0.000) 12.557 9.359 ( -0.872 2.375 0.000) 2.530 9.961 ( -0.074 -9.744 0.000) 9.744 10.088 ( 3.639 -4.132 0.000) 5.506 10.713 ( -10.987 10.405 0.000) 15.132 11.078 ( -12.310 4.043 0.000) 12.957 12.123 ( 2.009 -14.702 0.000) 14.839 13.024 ( 2.437 -3.115 0.000) 3.955 13.386 ( 1.312 -0.313 0.000) 1.349 14.012 ( 6.042 2.348 0.000) 6.483 14.839 ( 1.218 2.411 0.000) 2.701 15.094 ( 7.473 4.673 0.000) 8.814 ======================= Grid point 21 (15/245) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 2.118 0.986 0.000) 2.337 1.759 ( 9.769 7.681 0.000) 12.427 2.219 ( -10.461 6.484 0.000) 12.308 2.454 ( -14.194 7.619 0.000) 16.110 2.967 ( -9.518 -1.434 0.000) 9.626 3.200 ( -20.574 -3.794 0.000) 20.921 3.646 ( -1.332 0.335 0.000) 1.374 3.733 ( -9.675 -0.041 0.000) 9.675 3.841 ( 2.575 -0.614 0.000) 2.647 4.154 ( -1.176 0.381 0.000) 1.236 4.580 ( 3.994 3.560 0.000) 5.350 4.735 ( -2.814 2.163 0.000) 3.550 5.522 ( 4.933 -9.071 0.000) 10.326 6.135 ( -3.976 -0.129 0.000) 3.978 6.398 ( -10.405 4.235 0.000) 11.234 6.457 ( -11.938 4.010 0.000) 12.594 6.761 ( 2.174 1.194 0.000) 2.480 7.324 ( -11.440 1.731 0.000) 11.570 7.347 ( 1.425 -12.501 0.000) 12.582 7.602 ( -15.624 -9.671 0.000) 18.375 7.913 ( -9.618 0.446 0.000) 9.629 8.155 ( 4.746 0.633 0.000) 4.788 8.378 ( -0.445 6.427 0.000) 6.442 8.873 ( 5.674 6.956 0.000) 8.977 9.253 ( 10.267 1.359 0.000) 10.356 9.359 ( 1.565 1.574 0.000) 2.219 9.991 ( -1.827 -6.992 0.000) 7.227 10.169 ( 0.848 -6.615 0.000) 6.669 10.439 ( -8.808 9.125 0.000) 12.682 10.904 ( -3.588 3.963 0.000) 5.346 12.230 ( -1.161 -20.816 0.000) 20.848 13.092 ( 2.616 -4.062 0.000) 4.832 13.420 ( 2.053 -0.363 0.000) 2.085 14.109 ( 5.084 2.256 0.000) 5.562 14.853 ( 2.009 3.790 0.000) 4.290 15.218 ( 9.678 9.744 0.000) 13.733 ======================= Grid point 22 (16/245) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -1.366 6.346 0.000) 6.491 1.766 ( -12.787 5.587 0.000) 13.955 2.055 ( 3.428 7.408 0.000) 8.163 2.127 ( -14.995 7.924 0.000) 16.960 2.757 ( -18.600 -4.856 0.000) 19.224 2.889 ( -10.942 -0.816 0.000) 10.973 3.136 ( -29.764 8.355 0.000) 30.915 3.728 ( -6.514 -4.239 0.000) 7.772 4.063 ( 17.191 1.439 0.000) 17.251 4.200 ( 5.341 -0.110 0.000) 5.342 4.658 ( 4.937 2.406 0.000) 5.492 4.728 ( 4.678 1.183 0.000) 4.825 5.629 ( -1.179 -10.322 0.000) 10.389 5.973 ( -14.172 -1.716 0.000) 14.276 6.181 ( -7.507 1.730 0.000) 7.704 6.243 ( -6.727 9.934 0.000) 11.998 6.709 ( -12.010 -4.037 0.000) 12.670 7.116 ( -4.419 7.967 0.000) 9.110 7.315 ( -14.089 -7.642 0.000) 16.028 7.426 ( -7.251 -9.484 0.000) 11.938 7.787 ( -2.537 -1.851 0.000) 3.141 8.199 ( 0.015 0.034 0.000) 0.037 8.360 ( 1.129 2.516 0.000) 2.758 8.918 ( 1.754 2.804 0.000) 3.308 9.271 ( -4.890 7.748 0.000) 9.162 9.457 ( 8.387 -0.132 0.000) 8.388 9.985 ( -3.290 -10.129 0.000) 10.650 10.232 ( 6.382 -1.658 0.000) 6.594 10.345 ( -0.533 1.094 0.000) 1.217 10.890 ( 3.629 4.357 0.000) 5.670 12.286 ( -6.278 -25.494 0.000) 26.256 13.160 ( 1.467 -6.605 0.000) 6.766 13.464 ( 2.333 -0.810 0.000) 2.470 14.165 ( 1.627 1.333 0.000) 2.103 14.872 ( 2.301 4.819 0.000) 5.340 15.355 ( 12.779 17.346 0.000) 21.545 ======================= Grid point 23 (17/245) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -9.776 11.901 0.000) 15.402 1.323 ( -26.364 8.971 0.000) 27.849 1.863 ( -9.018 8.450 0.000) 12.358 2.060 ( -17.390 9.394 0.000) 19.765 2.293 ( -10.605 7.622 0.000) 13.060 2.647 ( -13.024 -2.581 0.000) 13.278 2.860 ( -2.049 -2.426 0.000) 3.175 3.553 ( -10.736 1.940 0.000) 10.910 4.278 ( 4.849 -1.408 0.000) 5.050 4.411 ( 16.032 1.624 0.000) 16.114 4.712 ( 2.362 -0.728 0.000) 2.471 4.933 ( 16.590 1.145 0.000) 16.629 5.449 ( -18.882 -5.287 0.000) 19.608 5.846 ( -3.780 -1.790 0.000) 4.182 6.002 ( -7.909 -0.493 0.000) 7.924 6.158 ( 0.290 6.728 0.000) 6.734 6.413 ( -17.201 -1.382 0.000) 17.256 6.927 ( -15.220 2.217 0.000) 15.381 7.123 ( -10.483 -0.561 0.000) 10.498 7.356 ( 0.290 -2.612 0.000) 2.628 7.804 ( 0.549 -3.322 0.000) 3.368 8.167 ( -3.546 -2.167 0.000) 4.156 8.386 ( 1.226 -3.490 0.000) 3.699 8.894 ( -4.111 -0.891 0.000) 4.207 9.146 ( -1.243 9.701 0.000) 9.780 9.605 ( 7.237 1.073 0.000) 7.317 9.936 ( -12.070 -22.693 0.000) 25.703 10.346 ( 0.568 -0.566 0.000) 0.802 10.448 ( 15.439 3.700 0.000) 15.876 10.964 ( 6.362 4.731 0.000) 7.928 12.245 ( -14.796 -30.805 0.000) 34.174 13.211 ( -1.390 -11.308 0.000) 11.393 13.513 ( 1.941 -1.986 0.000) 2.777 14.154 ( -2.083 0.524 0.000) 2.148 14.884 ( 1.756 5.168 0.000) 5.458 15.532 ( 20.119 28.929 0.000) 35.237 ======================= Grid point 24 (18/245) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -17.021 17.068 0.000) 24.105 0.746 ( -27.868 13.273 0.000) 30.868 1.190 ( -43.980 18.593 0.000) 47.748 1.939 ( 18.665 23.346 0.000) 29.890 2.317 ( 4.151 3.478 0.000) 5.416 2.503 ( -4.878 -3.138 0.000) 5.800 2.877 ( 1.724 -4.310 0.000) 4.642 3.388 ( 0.355 13.380 0.000) 13.385 4.319 ( -4.223 -8.227 0.000) 9.247 4.647 ( 8.146 0.710 0.000) 8.177 4.790 ( 10.290 6.186 0.000) 12.007 5.172 ( -9.339 -0.574 0.000) 9.356 5.289 ( 18.553 -0.499 0.000) 18.560 5.665 ( -11.855 -2.867 0.000) 12.197 6.001 ( 2.888 -1.287 0.000) 3.162 6.102 ( -7.932 1.284 0.000) 8.035 6.190 ( -1.469 5.790 0.000) 5.973 6.623 ( -15.454 -2.916 0.000) 15.727 6.887 ( -12.030 2.641 0.000) 12.316 7.438 ( 5.400 0.556 0.000) 5.429 7.802 ( -2.179 -1.934 0.000) 2.914 8.114 ( -3.309 -3.917 0.000) 5.128 8.425 ( -2.481 -10.153 0.000) 10.451 8.794 ( -7.966 -4.037 0.000) 8.930 9.112 ( 0.752 6.037 0.000) 6.084 9.674 ( -19.281 -26.594 0.000) 32.848 9.738 ( -11.457 -13.128 0.000) 17.425 10.359 ( 0.972 1.338 0.000) 1.654 10.726 ( 17.107 6.788 0.000) 18.405 11.064 ( 6.296 4.413 0.000) 7.689 12.007 ( -33.800 -40.675 0.000) 52.885 13.203 ( -7.700 -14.934 0.000) 16.802 13.552 ( 0.614 -3.042 0.000) 3.103 14.096 ( -3.002 0.753 0.000) 3.095 14.882 ( 0.821 4.691 0.000) 4.762 15.870 ( 40.392 44.217 0.000) 59.889 ======================= Grid point 25 (19/245) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.258 ( 0.000 24.226 0.000) 24.226 0.277 ( 0.000 26.086 0.000) 26.086 0.439 ( 0.000 41.145 0.000) 41.145 2.308 ( -0.000 -2.895 0.000) 2.895 2.383 ( 0.000 1.315 0.000) 1.315 2.471 ( -0.000 -4.153 0.000) 4.153 2.961 ( -0.000 -0.439 0.000) 0.439 3.770 ( -0.000 -1.494 0.000) 1.494 4.063 ( 0.000 0.597 0.000) 0.597 4.706 ( -0.000 -0.349 0.000) 0.349 5.078 ( 0.000 0.900 0.000) 0.900 5.221 ( -0.000 -3.485 0.000) 3.485 5.517 ( -0.000 -2.982 0.000) 2.982 5.558 ( -0.000 -2.836 0.000) 2.836 5.968 ( 0.000 0.261 0.000) 0.261 6.048 ( -0.000 -1.677 0.000) 1.677 6.258 ( 0.000 3.616 0.000) 3.616 6.360 ( 0.000 2.898 0.000) 2.898 6.726 ( 0.000 1.706 0.000) 1.706 7.497 ( 0.000 1.711 0.000) 1.711 7.705 ( -0.000 -2.253 0.000) 2.253 7.949 ( -0.000 -1.754 0.000) 1.754 8.130 ( 0.000 2.109 0.000) 2.109 8.630 ( -0.000 -4.740 0.000) 4.740 9.056 ( -0.000 -1.367 0.000) 1.367 9.150 ( 0.000 5.520 0.000) 5.520 9.742 ( 0.000 2.406 0.000) 2.406 10.363 ( 0.000 1.252 0.000) 1.252 11.090 ( -0.000 -0.174 0.000) 0.174 11.133 ( -0.000 -2.013 0.000) 2.013 11.330 ( 0.000 0.130 0.000) 0.130 13.119 ( -0.000 -3.775 0.000) 3.775 13.568 ( -0.000 -2.017 0.000) 2.017 14.061 ( 0.000 0.898 0.000) 0.898 14.867 ( 0.000 3.458 0.000) 3.458 16.585 ( -0.000 -0.838 0.000) 0.838 ======================= Grid point 28 (20/245) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 4.919 -0.000 0.000) 4.919 1.587 ( -14.778 0.000 0.000) 14.778 2.121 ( 13.538 -0.000 0.000) 13.538 2.288 ( 15.406 -0.000 0.000) 15.406 3.003 ( 7.539 -0.000 0.000) 7.539 3.310 ( 18.895 -0.000 0.000) 18.895 3.587 ( 32.623 -0.000 0.000) 32.623 3.671 ( -13.747 0.000 0.000) 13.747 3.935 ( -1.841 0.000 0.000) 1.841 4.132 ( -2.248 0.000 0.000) 2.248 4.527 ( -1.041 0.000 0.000) 1.041 4.696 ( 0.451 -0.000 0.000) 0.451 5.764 ( -5.393 0.000 0.000) 5.393 6.023 ( 0.768 -0.000 0.000) 0.768 6.246 ( 5.436 -0.000 0.000) 5.436 6.459 ( 19.946 -0.000 0.000) 19.946 6.783 ( -5.817 0.000 0.000) 5.817 7.268 ( 18.540 -0.000 0.000) 18.540 7.663 ( -3.089 0.000 0.000) 3.089 7.763 ( 16.020 -0.000 0.000) 16.020 7.921 ( 12.330 -0.000 0.000) 12.330 8.132 ( -5.219 0.000 0.000) 5.219 8.217 ( -5.322 0.000 0.000) 5.322 8.754 ( -6.627 0.000 0.000) 6.627 9.201 ( -5.391 0.000 0.000) 5.391 9.352 ( -4.433 0.000 0.000) 4.433 10.003 ( 7.311 -0.000 0.000) 7.311 10.149 ( -2.658 0.000 0.000) 2.658 10.635 ( -5.188 0.000 0.000) 5.188 10.709 ( 9.964 -0.000 0.000) 9.964 12.846 ( 1.672 -0.000 0.000) 1.672 12.975 ( -13.713 0.000 0.000) 13.713 13.426 ( -2.033 0.000 0.000) 2.033 14.060 ( -5.561 0.000 0.000) 5.561 14.814 ( -0.346 0.000 0.000) 0.346 14.972 ( -1.336 0.000 0.000) 1.336 ======================= Grid point 29 (21/245) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 3.575 4.912 0.000) 6.075 1.329 ( -11.295 -6.515 0.000) 13.039 2.325 ( 8.470 -0.538 0.000) 8.487 2.538 ( 10.076 -1.865 0.000) 10.247 3.157 ( 8.129 1.385 0.000) 8.246 3.441 ( -3.724 -1.333 0.000) 3.955 3.650 ( 6.572 0.860 0.000) 6.628 3.881 ( 2.631 2.086 0.000) 3.357 3.987 ( 3.187 -0.328 0.000) 3.204 4.202 ( 14.814 -1.519 0.000) 14.892 4.518 ( -1.717 0.582 0.000) 1.813 4.735 ( 3.554 -1.276 0.000) 3.776 5.632 ( -7.201 4.313 0.000) 8.394 6.062 ( 2.071 -4.152 0.000) 4.640 6.347 ( 5.265 -0.888 0.000) 5.339 6.615 ( -3.295 -1.179 0.000) 3.500 6.830 ( 10.869 1.285 0.000) 10.944 7.524 ( -2.885 6.826 0.000) 7.411 7.570 ( 7.486 -1.951 0.000) 7.736 7.952 ( -1.839 0.107 0.000) 1.842 8.082 ( 3.704 0.942 0.000) 3.822 8.133 ( 8.262 2.422 0.000) 8.610 8.183 ( 3.914 -5.268 0.000) 6.563 8.656 ( -3.525 -1.039 0.000) 3.675 9.011 ( -12.104 -0.196 0.000) 12.105 9.301 ( -1.019 -0.650 0.000) 1.208 10.089 ( -1.540 3.179 0.000) 3.532 10.149 ( -0.542 -3.638 0.000) 3.678 10.625 ( 7.982 2.299 0.000) 8.306 10.934 ( 12.559 -2.510 0.000) 12.807 12.664 ( -12.515 13.398 0.000) 18.334 12.897 ( -1.902 -9.535 0.000) 9.723 13.391 ( -1.580 0.113 0.000) 1.584 13.958 ( -4.808 -0.470 0.000) 4.831 14.812 ( 0.257 0.353 0.000) 0.437 14.952 ( -1.331 -2.029 0.000) 2.427 ======================= Grid point 30 (22/245) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -7.369 0.794 0.000) 7.412 1.375 ( 6.713 -1.945 0.000) 6.990 2.460 ( 5.816 -0.451 0.000) 5.833 2.677 ( 4.060 -2.656 0.000) 4.851 3.245 ( 3.353 7.592 0.000) 8.300 3.488 ( 6.062 -6.099 0.000) 8.599 3.586 ( -7.230 -1.276 0.000) 7.341 3.931 ( -5.386 0.922 0.000) 5.464 4.044 ( 7.071 1.307 0.000) 7.191 4.444 ( 1.785 1.906 0.000) 2.611 4.458 ( 3.401 -0.019 0.000) 3.401 4.836 ( 5.097 -3.468 0.000) 6.165 5.463 ( -7.624 5.243 0.000) 9.253 6.132 ( 2.419 -4.839 0.000) 5.410 6.444 ( 4.440 0.943 0.000) 4.539 6.569 ( -1.866 -5.527 0.000) 5.834 6.978 ( 5.373 2.134 0.000) 5.781 7.342 ( -7.912 9.597 0.000) 12.438 7.712 ( 1.375 -2.536 0.000) 2.885 7.885 ( -2.042 -2.900 0.000) 3.547 8.076 ( -1.597 1.570 0.000) 2.239 8.240 ( 1.389 -0.191 0.000) 1.402 8.350 ( 8.483 -0.957 0.000) 8.537 8.663 ( 4.269 -0.226 0.000) 4.275 8.821 ( -6.448 0.446 0.000) 6.463 9.321 ( 2.192 -2.135 0.000) 3.060 10.020 ( -7.502 0.658 0.000) 7.531 10.060 ( -3.581 0.276 0.000) 3.592 10.831 ( 10.624 1.390 0.000) 10.714 11.176 ( 10.315 -4.034 0.000) 11.075 12.341 ( -14.945 9.633 0.000) 17.781 12.911 ( -0.779 -5.490 0.000) 5.545 13.368 ( -0.733 -0.070 0.000) 0.736 13.906 ( -0.565 -0.118 0.000) 0.577 14.822 ( 0.952 0.245 0.000) 0.983 14.953 ( 0.921 -1.057 0.000) 1.402 ======================= Grid point 31 (23/245) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -0.993 -1.626 0.000) 1.906 1.524 ( 9.196 2.641 0.000) 9.568 2.533 ( 1.752 2.528 0.000) 3.076 2.742 ( 1.416 -2.854 0.000) 3.186 3.210 ( -1.657 9.586 0.000) 9.728 3.498 ( -2.869 -3.086 0.000) 4.214 3.657 ( 6.099 -7.634 0.000) 9.771 3.811 ( -6.044 1.291 0.000) 6.180 3.961 ( -13.493 -1.287 0.000) 13.554 4.470 ( 1.116 3.594 0.000) 3.763 4.516 ( 3.412 2.261 0.000) 4.093 4.911 ( -0.345 -3.502 0.000) 3.519 5.323 ( -3.898 2.463 0.000) 4.611 6.186 ( 0.890 -2.535 0.000) 2.687 6.488 ( 1.327 -0.042 0.000) 1.328 6.614 ( 1.515 -7.193 0.000) 7.351 7.012 ( -0.276 5.260 0.000) 5.267 7.161 ( -4.839 7.673 0.000) 9.071 7.647 ( -8.578 -6.565 0.000) 10.802 7.921 ( 0.969 -2.419 0.000) 2.606 7.999 ( -4.869 1.102 0.000) 4.992 8.204 ( -5.047 -1.674 0.000) 5.317 8.462 ( 4.096 2.286 0.000) 4.690 8.763 ( 5.793 4.191 0.000) 7.150 8.838 ( 8.946 0.578 0.000) 8.965 9.381 ( 2.149 -1.171 0.000) 2.448 9.865 ( -7.524 -5.138 0.000) 9.111 10.038 ( 0.497 0.726 0.000) 0.879 10.928 ( 1.011 4.682 0.000) 4.790 11.292 ( -2.233 -2.475 0.000) 3.334 12.056 ( -9.752 2.010 0.000) 9.957 12.934 ( 0.685 -4.289 0.000) 4.343 13.365 ( 0.265 -0.319 0.000) 0.415 13.940 ( 4.200 0.970 0.000) 4.310 14.841 ( 1.399 0.886 0.000) 1.656 15.010 ( 5.290 0.788 0.000) 5.348 ======================= Grid point 32 (24/245) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 4.013 -1.383 0.000) 4.244 1.685 ( 10.108 5.528 0.000) 11.521 2.477 ( -4.996 6.833 0.000) 8.465 2.725 ( -5.532 -0.035 0.000) 5.532 3.119 ( -4.022 5.272 0.000) 6.631 3.457 ( -8.183 -4.289 0.000) 9.238 3.636 ( -9.792 1.211 0.000) 9.866 3.709 ( -0.345 -1.954 0.000) 1.984 3.853 ( 1.245 -6.375 0.000) 6.495 4.346 ( -10.463 2.392 0.000) 10.733 4.585 ( 3.996 5.789 0.000) 7.035 4.852 ( -5.482 0.184 0.000) 5.486 5.323 ( 2.820 -4.237 0.000) 5.090 6.188 ( -1.367 0.095 0.000) 1.371 6.496 ( -3.926 -7.280 0.000) 8.271 6.646 ( -0.117 2.130 0.000) 2.134 6.890 ( -5.339 11.291 0.000) 12.490 7.141 ( 2.331 -3.557 0.000) 4.253 7.500 ( -10.596 -6.679 0.000) 12.525 7.765 ( -14.631 -4.660 0.000) 15.355 8.050 ( 6.060 -0.096 0.000) 6.061 8.085 ( -8.038 -0.788 0.000) 8.076 8.487 ( 0.473 4.916 0.000) 4.939 8.868 ( 8.388 7.923 0.000) 11.538 9.044 ( 12.177 0.525 0.000) 12.189 9.386 ( -0.551 2.686 0.000) 2.742 9.831 ( -2.156 -13.430 0.000) 13.602 10.066 ( 2.377 -0.791 0.000) 2.505 10.824 ( -7.808 9.907 0.000) 12.614 11.115 ( -12.705 2.755 0.000) 13.000 11.989 ( -1.771 -10.470 0.000) 10.618 12.982 ( 1.741 -4.470 0.000) 4.797 13.381 ( 1.219 -0.497 0.000) 1.316 14.035 ( 6.177 1.845 0.000) 6.447 14.865 ( 2.108 2.376 0.000) 3.176 15.138 ( 9.279 3.454 0.000) 9.901 ======================= Grid point 33 (25/245) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 4.651 1.264 0.000) 4.819 1.833 ( 8.334 6.166 0.000) 10.367 2.297 ( -9.128 8.102 0.000) 12.205 2.527 ( -13.309 5.719 0.000) 14.486 2.955 ( -12.057 -0.805 0.000) 12.084 3.165 ( -19.086 -2.856 0.000) 19.298 3.637 ( 1.398 -1.876 0.000) 2.340 3.722 ( -8.525 -1.273 0.000) 8.619 3.849 ( 3.769 1.408 0.000) 4.023 4.158 ( -3.849 0.473 0.000) 3.878 4.624 ( 4.264 4.638 0.000) 6.300 4.759 ( -3.365 2.084 0.000) 3.958 5.430 ( 4.048 -8.288 0.000) 9.224 6.132 ( -5.217 -0.114 0.000) 5.218 6.371 ( -12.231 -5.607 0.000) 13.455 6.556 ( -6.529 10.476 0.000) 12.344 6.790 ( -0.905 4.365 0.000) 4.458 7.229 ( 1.138 -9.552 0.000) 9.620 7.329 ( -8.467 -1.347 0.000) 8.574 7.501 ( -16.492 -8.707 0.000) 18.649 7.919 ( -9.325 0.571 0.000) 9.343 8.161 ( 5.041 0.571 0.000) 5.073 8.439 ( -2.000 4.994 0.000) 5.380 8.957 ( 4.966 8.848 0.000) 10.146 9.261 ( 10.730 0.345 0.000) 10.736 9.381 ( 1.634 2.436 0.000) 2.933 9.864 ( -3.795 -15.615 0.000) 16.069 10.123 ( 2.646 -1.993 0.000) 3.312 10.567 ( -9.838 13.650 0.000) 16.826 10.935 ( -4.109 1.932 0.000) 4.540 12.027 ( -3.103 -17.367 0.000) 17.642 13.039 ( 1.295 -5.594 0.000) 5.742 13.414 ( 1.813 -0.698 0.000) 1.943 14.131 ( 4.667 1.839 0.000) 5.016 14.895 ( 2.856 3.973 0.000) 4.893 15.312 ( 12.324 7.715 0.000) 14.540 ======================= Grid point 34 (26/245) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 1.908 6.164 0.000) 6.452 1.832 ( -9.807 6.834 0.000) 11.954 2.131 ( -1.481 6.438 0.000) 6.607 2.212 ( -13.327 8.220 0.000) 15.658 2.711 ( -15.584 -3.854 0.000) 16.054 2.877 ( -11.754 -1.472 0.000) 11.846 3.225 ( -29.315 8.372 0.000) 30.487 3.681 ( -4.748 -4.652 0.000) 6.647 4.081 ( 16.702 1.932 0.000) 16.813 4.196 ( 5.984 -0.503 0.000) 6.005 4.690 ( 1.671 3.637 0.000) 4.002 4.740 ( 6.320 1.144 0.000) 6.423 5.517 ( -2.214 -10.747 0.000) 10.973 5.960 ( -11.602 -0.710 0.000) 11.623 6.184 ( -9.383 -0.914 0.000) 9.428 6.349 ( -7.605 9.666 0.000) 12.299 6.682 ( -12.116 -0.946 0.000) 12.153 7.183 ( -0.652 3.237 0.000) 3.302 7.239 ( -15.673 -6.568 0.000) 16.994 7.323 ( -2.473 -8.029 0.000) 8.401 7.770 ( -5.098 -1.364 0.000) 5.278 8.197 ( -1.445 -0.346 0.000) 1.486 8.391 ( -0.571 3.170 0.000) 3.221 8.956 ( -0.825 4.491 0.000) 4.566 9.349 ( -2.497 6.848 0.000) 7.289 9.453 ( 8.725 -0.725 0.000) 8.755 9.834 ( -8.656 -16.817 0.000) 18.914 10.208 ( 6.552 -1.563 0.000) 6.736 10.419 ( 1.263 10.431 0.000) 10.507 10.923 ( 3.114 1.912 0.000) 3.654 12.035 ( -7.541 -21.650 0.000) 22.926 13.083 ( -0.340 -7.494 0.000) 7.502 13.453 ( 1.671 -1.313 0.000) 2.125 14.179 ( 1.192 1.321 0.000) 1.779 14.926 ( 2.938 5.268 0.000) 6.032 15.519 ( 16.081 13.472 0.000) 20.978 ======================= Grid point 35 (27/245) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -6.275 12.539 0.000) 14.022 1.439 ( -22.977 12.729 0.000) 26.268 1.929 ( -10.513 4.040 0.000) 11.263 2.157 ( -4.188 7.681 0.000) 8.748 2.385 ( -14.228 9.110 0.000) 16.895 2.623 ( -15.075 -1.525 0.000) 15.152 2.837 ( -5.003 -1.175 0.000) 5.139 3.568 ( -6.691 0.460 0.000) 6.707 4.270 ( 3.464 -0.031 0.000) 3.464 4.423 ( 15.696 0.683 0.000) 15.711 4.709 ( 2.890 0.253 0.000) 2.901 4.941 ( 14.542 0.232 0.000) 14.544 5.381 ( -14.936 -7.152 0.000) 16.560 5.842 ( -4.612 0.694 0.000) 4.664 5.978 ( -9.795 -3.858 0.000) 10.527 6.232 ( -1.304 6.967 0.000) 7.087 6.406 ( -14.695 0.219 0.000) 14.696 6.933 ( -18.155 -1.450 0.000) 18.213 7.141 ( -7.585 4.333 0.000) 8.735 7.323 ( 3.636 -3.480 0.000) 5.033 7.760 ( 0.484 -4.861 0.000) 4.885 8.134 ( -5.648 -3.922 0.000) 6.876 8.366 ( -1.385 -0.082 0.000) 1.387 8.890 ( -5.008 0.112 0.000) 5.010 9.244 ( -2.706 8.427 0.000) 8.851 9.582 ( -1.136 -9.192 0.000) 9.262 9.731 ( -8.033 -11.253 0.000) 13.826 10.337 ( 3.877 -0.773 0.000) 3.953 10.507 ( 13.553 7.005 0.000) 15.256 11.002 ( 5.945 2.384 0.000) 6.405 11.951 ( -15.086 -24.076 0.000) 28.412 13.101 ( -2.743 -9.693 0.000) 10.073 13.488 ( 1.051 -2.480 0.000) 2.693 14.163 ( -1.994 1.067 0.000) 2.262 14.945 ( 2.139 6.066 0.000) 6.432 15.787 ( 22.412 19.259 0.000) 29.550 ======================= Grid point 36 (28/245) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -14.505 17.495 0.000) 22.725 0.922 ( -21.182 19.329 0.000) 28.675 1.420 ( -32.143 23.680 0.000) 39.924 2.083 ( 9.959 5.581 0.000) 11.416 2.339 ( 2.110 -1.396 0.000) 2.530 2.479 ( -3.761 -0.134 0.000) 3.763 2.844 ( 4.535 -1.717 0.000) 4.850 3.507 ( 5.384 8.106 0.000) 9.732 4.250 ( -7.105 -4.688 0.000) 8.512 4.646 ( 6.611 -0.621 0.000) 6.640 4.837 ( 13.668 2.413 0.000) 13.880 5.152 ( -4.948 -3.129 0.000) 5.854 5.286 ( 14.842 -0.050 0.000) 14.843 5.628 ( -13.067 -4.123 0.000) 13.703 5.988 ( 3.586 -1.064 0.000) 3.740 6.112 ( -10.265 0.952 0.000) 10.310 6.255 ( 1.549 6.019 0.000) 6.215 6.605 ( -16.120 -0.569 0.000) 16.130 6.921 ( -11.164 4.110 0.000) 11.897 7.446 ( 6.934 0.987 0.000) 7.004 7.768 ( -3.417 -4.829 0.000) 5.915 8.054 ( -5.823 -7.001 0.000) 9.106 8.335 ( -5.440 -5.793 0.000) 7.947 8.740 ( -14.566 -6.095 0.000) 15.789 9.159 ( -5.379 0.998 0.000) 5.470 9.382 ( -20.755 -14.941 0.000) 25.574 9.755 ( 4.048 3.599 0.000) 5.417 10.379 ( 1.770 2.344 0.000) 2.937 10.774 ( 16.585 3.218 0.000) 16.895 11.101 ( 5.200 2.328 0.000) 5.697 11.693 ( -25.613 -20.669 0.000) 32.912 13.081 ( -4.796 -9.931 0.000) 11.029 13.518 ( 0.411 -3.383 0.000) 3.407 14.109 ( -2.561 1.375 0.000) 2.906 14.941 ( 0.998 6.302 0.000) 6.380 16.182 ( 30.607 18.124 0.000) 35.571 ======================= Grid point 37 (29/245) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 0.000 23.285 0.000) 23.285 0.551 ( 0.000 25.738 0.000) 25.738 0.868 ( 0.000 39.669 0.000) 39.669 2.253 ( -0.000 -7.301 0.000) 7.301 2.405 ( -0.000 -8.096 0.000) 8.096 2.413 ( 0.000 4.083 0.000) 4.083 2.955 ( -0.000 -0.637 0.000) 0.637 3.745 ( -0.000 -3.379 0.000) 3.379 4.072 ( 0.000 1.032 0.000) 1.032 4.701 ( -0.000 -0.539 0.000) 0.539 5.092 ( 0.000 1.697 0.000) 1.697 5.162 ( -0.000 -7.856 0.000) 7.856 5.475 ( -0.000 -4.699 0.000) 4.699 5.522 ( -0.000 -3.633 0.000) 3.633 5.972 ( 0.000 0.564 0.000) 0.564 6.034 ( -0.000 -0.573 0.000) 0.573 6.300 ( 0.000 3.930 0.000) 3.930 6.396 ( 0.000 3.584 0.000) 3.584 6.757 ( 0.000 4.351 0.000) 4.351 7.522 ( 0.000 3.063 0.000) 3.063 7.668 ( -0.000 -4.827 0.000) 4.827 7.929 ( -0.000 -1.714 0.000) 1.714 8.157 ( 0.000 2.716 0.000) 2.716 8.565 ( -0.000 -7.174 0.000) 7.174 9.046 ( -0.000 -0.609 0.000) 0.609 9.218 ( 0.000 6.981 0.000) 6.981 9.776 ( 0.000 3.793 0.000) 3.793 10.383 ( 0.000 2.539 0.000) 2.539 11.088 ( -0.000 -0.302 0.000) 0.302 11.102 ( -0.000 -3.596 0.000) 3.596 11.332 ( 0.000 0.225 0.000) 0.225 13.062 ( -0.000 -6.669 0.000) 6.669 13.539 ( -0.000 -3.295 0.000) 3.295 14.074 ( 0.000 1.479 0.000) 1.479 14.918 ( 0.000 5.846 0.000) 5.846 16.572 ( -0.000 -1.530 0.000) 1.530 ======================= Grid point 42 (30/245) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -8.835 0.000 0.000) 8.835 1.365 ( 8.741 -0.000 0.000) 8.741 2.458 ( 6.175 -0.000 0.000) 6.175 2.663 ( 4.294 -0.000 0.000) 4.294 3.298 ( 5.846 -0.000 0.000) 5.846 3.440 ( 3.417 -0.000 0.000) 3.417 3.582 ( -7.420 0.000 0.000) 7.420 3.935 ( -5.241 0.000 0.000) 5.241 4.051 ( 6.150 -0.000 0.000) 6.150 4.449 ( 8.183 -0.000 0.000) 8.183 4.465 ( -1.724 0.000 0.000) 1.724 4.816 ( 4.879 -0.000 0.000) 4.879 5.493 ( -8.407 0.000 0.000) 8.407 6.104 ( 3.220 -0.000 0.000) 3.220 6.451 ( 6.062 -0.000 0.000) 6.062 6.538 ( -3.654 0.000 0.000) 3.654 6.988 ( 5.210 -0.000 0.000) 5.210 7.400 ( -7.931 0.000 0.000) 7.931 7.693 ( -0.226 0.000 0.000) 0.226 7.869 ( -1.339 0.000 0.000) 1.339 8.084 ( -1.669 0.000 0.000) 1.669 8.239 ( 0.428 -0.000 0.000) 0.428 8.345 ( 9.906 -0.000 0.000) 9.906 8.662 ( 4.851 -0.000 0.000) 4.851 8.824 ( -6.018 0.000 0.000) 6.018 9.309 ( 2.043 -0.000 0.000) 2.043 10.025 ( -10.003 0.000 0.000) 10.003 10.059 ( -1.616 0.000 0.000) 1.616 10.840 ( 11.104 -0.000 0.000) 11.104 11.153 ( 10.216 -0.000 0.000) 10.216 12.398 ( -17.344 0.000 0.000) 17.344 12.876 ( 0.555 -0.000 0.000) 0.555 13.368 ( -0.802 0.000 0.000) 0.802 13.905 ( -0.301 0.000 0.000) 0.301 14.823 ( 0.943 -0.000 0.000) 0.943 14.947 ( 1.538 -0.000 0.000) 1.538 ======================= Grid point 43 (31/245) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -1.142 -0.599 0.000) 1.290 1.544 ( 10.283 0.933 0.000) 10.326 2.555 ( 4.044 1.279 0.000) 4.241 2.716 ( 0.881 -1.560 0.000) 1.791 3.322 ( -1.581 11.030 0.000) 11.143 3.435 ( -3.808 -8.912 0.000) 9.692 3.601 ( 6.902 -2.421 0.000) 7.314 3.820 ( -6.407 0.438 0.000) 6.422 3.952 ( -14.201 -0.463 0.000) 14.209 4.493 ( -2.389 0.913 0.000) 2.557 4.543 ( 8.002 2.004 0.000) 8.249 4.878 ( 0.076 -2.127 0.000) 2.128 5.346 ( -5.872 1.399 0.000) 6.036 6.165 ( 2.539 -1.161 0.000) 2.792 6.474 ( -3.454 -1.601 0.000) 3.807 6.574 ( 6.086 -1.087 0.000) 6.182 7.038 ( 0.725 0.785 0.000) 1.069 7.247 ( -6.376 6.033 0.000) 8.777 7.580 ( -10.031 -4.632 0.000) 11.049 7.904 ( 0.875 -0.722 0.000) 1.134 8.007 ( -5.414 0.468 0.000) 5.434 8.190 ( -4.905 -0.739 0.000) 4.961 8.479 ( 4.939 0.805 0.000) 5.004 8.801 ( 8.778 2.575 0.000) 9.148 8.838 ( 7.598 -0.508 0.000) 7.615 9.369 ( 3.618 -0.805 0.000) 3.707 9.827 ( -10.461 -1.854 0.000) 10.624 10.043 ( 0.098 0.269 0.000) 0.286 10.966 ( 2.313 2.160 0.000) 3.165 11.267 ( -0.074 -1.660 0.000) 1.662 12.079 ( -14.344 1.567 0.000) 14.430 12.898 ( 1.177 -2.055 0.000) 2.368 13.362 ( 0.189 -0.135 0.000) 0.232 13.947 ( 4.544 0.365 0.000) 4.558 14.848 ( 1.806 0.359 0.000) 1.841 15.016 ( 6.003 0.266 0.000) 6.009 ======================= Grid point 44 (32/245) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 4.869 -0.618 0.000) 4.908 1.729 ( 10.293 2.745 0.000) 10.653 2.553 ( -2.977 7.261 0.000) 7.848 2.700 ( -4.499 -4.242 0.000) 6.183 3.194 ( -6.493 8.248 0.000) 10.497 3.396 ( -8.839 -6.853 0.000) 11.184 3.646 ( -8.797 0.557 0.000) 8.815 3.706 ( 0.373 1.264 0.000) 1.318 3.788 ( 1.201 -5.686 0.000) 5.812 4.365 ( -10.132 1.207 0.000) 10.204 4.651 ( 4.732 6.135 0.000) 7.748 4.836 ( -4.769 -2.855 0.000) 5.558 5.293 ( 0.327 -1.558 0.000) 1.592 6.194 ( 0.117 1.087 0.000) 1.094 6.410 ( -6.307 -7.296 0.000) 9.644 6.674 ( 3.985 2.165 0.000) 4.535 6.992 ( -4.538 6.490 0.000) 7.919 7.136 ( -1.247 3.159 0.000) 3.396 7.414 ( -10.971 -8.863 0.000) 14.104 7.731 ( -15.594 -1.851 0.000) 15.703 8.049 ( 6.210 -0.006 0.000) 6.210 8.078 ( -7.281 -0.536 0.000) 7.301 8.526 ( 0.716 2.534 0.000) 2.633 8.949 ( 9.857 7.006 0.000) 12.093 9.042 ( 11.823 -1.199 0.000) 11.883 9.417 ( 1.183 3.176 0.000) 3.389 9.699 ( -5.823 -10.635 0.000) 12.124 10.063 ( 1.978 -0.074 0.000) 1.979 10.911 ( -5.337 6.044 0.000) 8.063 11.136 ( -12.324 1.283 0.000) 12.391 11.904 ( -5.626 -5.399 0.000) 7.798 12.939 ( 1.624 -3.123 0.000) 3.520 13.376 ( 1.140 -0.364 0.000) 1.197 14.050 ( 6.187 0.984 0.000) 6.265 14.886 ( 2.708 1.442 0.000) 3.068 15.166 ( 10.435 1.821 0.000) 10.593 ======================= Grid point 45 (33/245) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 6.417 1.029 0.000) 6.499 1.886 ( 7.659 3.790 0.000) 8.545 2.384 ( -9.251 7.897 0.000) 12.163 2.569 ( -10.824 2.106 0.000) 11.026 2.951 ( -15.991 -0.033 0.000) 15.991 3.139 ( -17.076 -2.017 0.000) 17.195 3.617 ( 1.078 -1.554 0.000) 1.891 3.709 ( -6.738 -1.258 0.000) 6.854 3.862 ( 7.427 0.918 0.000) 7.483 4.164 ( -6.428 0.567 0.000) 6.453 4.676 ( 3.035 5.002 0.000) 5.851 4.776 ( -2.328 0.933 0.000) 2.508 5.350 ( 2.514 -6.451 0.000) 6.923 6.138 ( -6.138 1.628 0.000) 6.350 6.302 ( -8.858 -7.057 0.000) 11.325 6.648 ( -5.867 6.364 0.000) 8.656 6.857 ( -3.858 8.224 0.000) 9.085 7.149 ( 0.285 -5.363 0.000) 5.371 7.278 ( -8.243 -8.463 0.000) 11.814 7.439 ( -14.957 -2.701 0.000) 15.199 7.924 ( -8.951 0.450 0.000) 8.962 8.166 ( 5.274 0.408 0.000) 5.290 8.482 ( -3.085 3.104 0.000) 4.376 9.057 ( 4.876 9.786 0.000) 10.933 9.262 ( 10.786 -0.147 0.000) 10.787 9.408 ( 1.231 2.713 0.000) 2.979 9.690 ( -4.821 -16.385 0.000) 17.079 10.113 ( 3.248 -0.331 0.000) 3.265 10.710 ( -9.252 12.875 0.000) 15.855 10.943 ( -5.455 -0.655 0.000) 5.494 11.869 ( -4.503 -12.144 0.000) 12.952 12.983 ( 0.708 -4.508 0.000) 4.563 13.406 ( 1.620 -0.655 0.000) 1.747 14.147 ( 4.349 1.165 0.000) 4.503 14.933 ( 3.402 2.897 0.000) 4.468 15.379 ( 13.993 4.836 0.000) 14.805 ======================= Grid point 46 (34/245) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 4.614 4.761 0.000) 6.630 1.904 ( -6.141 6.451 0.000) 8.906 2.183 ( -9.060 3.234 0.000) 9.620 2.299 ( -10.626 8.061 0.000) 13.338 2.675 ( -13.495 -2.899 0.000) 13.803 2.858 ( -13.025 -1.929 0.000) 13.167 3.311 ( -26.563 7.787 0.000) 27.681 3.632 ( -3.988 -4.558 0.000) 6.057 4.102 ( 16.228 1.901 0.000) 16.339 4.190 ( 6.582 -0.726 0.000) 6.621 4.729 ( -1.256 3.021 0.000) 3.272 4.756 ( 7.673 2.322 0.000) 8.016 5.405 ( -3.100 -10.021 0.000) 10.490 5.958 ( -9.664 0.267 0.000) 9.668 6.164 ( -10.364 -2.773 0.000) 10.728 6.439 ( -9.296 6.905 0.000) 11.580 6.695 ( -12.028 3.678 0.000) 12.578 7.142 ( -13.864 -11.196 0.000) 17.820 7.173 ( 1.910 -3.670 0.000) 4.137 7.309 ( -0.227 3.293 0.000) 3.301 7.759 ( -7.534 -0.740 0.000) 7.570 8.192 ( -3.248 -0.572 0.000) 3.298 8.423 ( -1.054 2.670 0.000) 2.871 9.016 ( -3.413 6.812 0.000) 7.619 9.413 ( -0.717 4.925 0.000) 4.977 9.435 ( 5.680 -3.337 0.000) 6.588 9.659 ( -6.292 -14.928 0.000) 16.200 10.199 ( 6.265 -0.320 0.000) 6.273 10.544 ( 0.347 12.743 0.000) 12.748 10.927 ( 2.304 -1.349 0.000) 2.670 11.835 ( -7.481 -15.806 0.000) 17.486 13.008 ( -1.160 -6.346 0.000) 6.452 13.439 ( 1.197 -1.230 0.000) 1.716 14.192 ( 0.940 1.029 0.000) 1.394 14.978 ( 3.336 4.295 0.000) 5.438 15.637 ( 17.498 8.728 0.000) 19.554 ======================= Grid point 47 (35/245) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -2.990 10.993 0.000) 11.392 1.586 ( -19.029 14.516 0.000) 23.934 1.954 ( -10.180 0.953 0.000) 10.225 2.203 ( -3.525 0.669 0.000) 3.588 2.471 ( -10.135 6.776 0.000) 12.192 2.615 ( -15.728 -0.501 0.000) 15.736 2.853 ( -9.529 4.927 0.000) 10.727 3.558 ( -4.416 -2.399 0.000) 5.026 4.276 ( 2.917 1.192 0.000) 3.151 4.426 ( 14.974 -0.108 0.000) 14.975 4.718 ( 2.342 1.397 0.000) 2.727 4.936 ( 11.615 -1.305 0.000) 11.688 5.305 ( -10.085 -6.887 0.000) 12.212 5.853 ( -8.667 0.844 0.000) 8.708 5.929 ( -7.774 -4.567 0.000) 9.017 6.302 ( -2.955 6.110 0.000) 6.787 6.418 ( -13.494 1.985 0.000) 13.639 6.898 ( -16.519 -4.869 0.000) 17.222 7.209 ( -7.994 7.748 0.000) 11.133 7.289 ( 7.673 -2.447 0.000) 8.054 7.703 ( -0.887 -5.881 0.000) 5.947 8.088 ( -7.959 -4.571 0.000) 9.179 8.380 ( -2.681 2.427 0.000) 3.616 8.895 ( -7.431 0.818 0.000) 7.476 9.305 ( -8.867 0.186 0.000) 8.869 9.438 ( -7.917 -10.439 0.000) 13.101 9.699 ( 5.784 0.669 0.000) 5.822 10.331 ( 6.112 -0.319 0.000) 6.120 10.592 ( 10.537 8.870 0.000) 13.774 11.012 ( 5.369 -0.788 0.000) 5.426 11.738 ( -12.427 -16.267 0.000) 20.470 13.006 ( -3.203 -8.184 0.000) 8.788 13.463 ( 0.462 -2.222 0.000) 2.269 14.175 ( -1.912 1.058 0.000) 2.185 15.007 ( 2.436 5.485 0.000) 6.002 15.946 ( 21.259 11.185 0.000) 24.022 ======================= Grid point 48 (36/245) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -11.981 16.985 0.000) 20.785 1.138 ( -16.712 20.941 0.000) 26.793 1.665 ( -19.218 21.067 0.000) 28.516 2.099 ( -0.663 -0.970 0.000) 1.175 2.278 ( -4.380 -8.729 0.000) 9.766 2.503 ( -1.209 3.642 0.000) 3.837 2.841 ( 6.576 1.113 0.000) 6.669 3.552 ( 4.674 0.494 0.000) 4.700 4.220 ( -8.016 -1.260 0.000) 8.114 4.637 ( 6.455 -0.980 0.000) 6.529 4.840 ( 10.955 -1.813 0.000) 11.104 5.112 ( 0.749 -3.857 0.000) 3.929 5.288 ( 11.032 0.389 0.000) 11.039 5.578 ( -14.596 -5.354 0.000) 15.547 5.984 ( 5.120 0.490 0.000) 5.144 6.126 ( -11.460 1.520 0.000) 11.561 6.309 ( 1.574 4.092 0.000) 4.384 6.602 ( -15.025 -0.378 0.000) 15.030 6.981 ( -10.166 7.464 0.000) 12.611 7.458 ( 9.022 1.182 0.000) 9.099 7.696 ( -6.039 -8.580 0.000) 10.492 7.983 ( -5.717 -5.785 0.000) 8.133 8.304 ( -5.238 -0.420 0.000) 5.255 8.669 ( -19.380 -7.100 0.000) 20.640 9.121 ( -9.787 -5.369 0.000) 11.163 9.347 ( -2.768 3.770 0.000) 4.677 9.793 ( 4.470 3.259 0.000) 5.532 10.407 ( 2.861 2.721 0.000) 3.948 10.805 ( 14.327 2.973 0.000) 14.632 11.110 ( 3.779 -0.658 0.000) 3.836 11.533 ( -16.767 -10.807 0.000) 19.948 12.982 ( -3.812 -8.859 0.000) 9.645 13.482 ( 0.124 -3.204 0.000) 3.206 14.124 ( -2.342 1.401 0.000) 2.729 15.010 ( 1.182 6.369 0.000) 6.478 16.307 ( 21.558 7.221 0.000) 22.736 ======================= Grid point 49 (37/245) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.000 21.886 0.000) 21.886 0.821 ( 0.000 25.143 0.000) 25.143 1.272 ( 0.000 36.422 0.000) 36.422 2.161 ( -0.000 -9.699 0.000) 9.699 2.300 ( -0.000 -11.680 0.000) 11.680 2.463 ( 0.000 4.965 0.000) 4.965 2.949 ( -0.000 -0.357 0.000) 0.357 3.696 ( -0.000 -5.882 0.000) 5.882 4.084 ( 0.000 1.206 0.000) 1.206 4.696 ( -0.000 -0.533 0.000) 0.533 5.059 ( -0.000 -11.102 0.000) 11.102 5.114 ( 0.000 2.358 0.000) 2.358 5.423 ( -0.000 -4.956 0.000) 4.956 5.484 ( -0.000 -3.460 0.000) 3.460 5.979 ( 0.000 0.793 0.000) 0.793 6.038 ( 0.000 1.422 0.000) 1.422 6.335 ( 0.000 2.613 0.000) 2.613 6.428 ( 0.000 2.193 0.000) 2.193 6.821 ( 0.000 7.729 0.000) 7.729 7.559 ( 0.000 3.769 0.000) 3.769 7.604 ( -0.000 -7.320 0.000) 7.320 7.915 ( -0.000 -0.929 0.000) 0.929 8.184 ( 0.000 2.464 0.000) 2.464 8.486 ( -0.000 -7.502 0.000) 7.502 9.042 ( -0.000 -0.184 0.000) 0.184 9.293 ( 0.000 7.123 0.000) 7.123 9.817 ( 0.000 3.756 0.000) 3.756 10.416 ( 0.000 3.595 0.000) 3.595 11.059 ( -0.000 -4.330 0.000) 4.330 11.084 ( -0.000 -0.357 0.000) 0.357 11.335 ( 0.000 0.264 0.000) 0.264 12.983 ( -0.000 -8.085 0.000) 8.085 13.502 ( -0.000 -3.608 0.000) 3.608 14.091 ( 0.000 1.629 0.000) 1.629 14.985 ( 0.000 6.692 0.000) 6.692 16.554 ( -0.000 -1.931 0.000) 1.931 ======================= Grid point 56 (38/245) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 5.183 -0.000 0.000) 5.183 1.743 ( 10.325 -0.000 0.000) 10.325 2.612 ( 0.766 -0.000 0.000) 0.766 2.657 ( -7.131 0.000 0.000) 7.131 3.262 ( -9.497 0.000 0.000) 9.497 3.337 ( -6.665 0.000 0.000) 6.665 3.649 ( -7.787 0.000 0.000) 7.787 3.729 ( -2.428 0.000 0.000) 2.428 3.741 ( 3.364 -0.000 0.000) 3.364 4.371 ( -10.072 0.000 0.000) 10.072 4.692 ( 6.131 -0.000 0.000) 6.131 4.812 ( -5.425 0.000 0.000) 5.425 5.285 ( -0.839 0.000 0.000) 0.839 6.203 ( 1.429 -0.000 0.000) 1.429 6.367 ( -7.332 0.000 0.000) 7.332 6.686 ( 4.781 -0.000 0.000) 4.781 7.021 ( -2.703 0.000 0.000) 2.703 7.175 ( -2.945 0.000 0.000) 2.945 7.350 ( -12.235 0.000 0.000) 12.235 7.722 ( -15.804 0.000 0.000) 15.804 8.049 ( 6.298 -0.000 0.000) 6.298 8.075 ( -7.031 0.000 0.000) 7.031 8.540 ( 0.798 -0.000 0.000) 0.798 9.002 ( 10.278 -0.000 0.000) 10.278 9.022 ( 11.943 -0.000 0.000) 11.943 9.440 ( 3.650 -0.000 0.000) 3.650 9.634 ( -9.150 0.000 0.000) 9.150 10.062 ( 1.873 -0.000 0.000) 1.873 10.944 ( -4.466 0.000 0.000) 4.466 11.143 ( -11.838 0.000 0.000) 11.838 11.876 ( -7.427 0.000 0.000) 7.427 12.922 ( 1.676 -0.000 0.000) 1.676 13.374 ( 1.110 -0.000 0.000) 1.110 14.056 ( 6.178 -0.000 0.000) 6.178 14.894 ( 2.915 -0.000 0.000) 2.915 15.176 ( 10.831 -0.000 0.000) 10.831 ======================= Grid point 58 (39/245) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 7.314 0.392 0.000) 7.325 1.913 ( 7.493 1.258 0.000) 7.598 2.452 ( -11.650 4.100 0.000) 12.350 2.574 ( -6.457 -0.488 0.000) 6.475 2.952 ( -19.726 0.183 0.000) 19.726 3.124 ( -15.357 -0.836 0.000) 15.380 3.607 ( 0.468 -0.319 0.000) 0.566 3.697 ( -5.438 -0.743 0.000) 5.488 3.869 ( 9.865 0.299 0.000) 9.870 4.168 ( -7.848 0.257 0.000) 7.853 4.722 ( -0.361 3.158 0.000) 3.178 4.776 ( 1.241 -0.669 0.000) 1.410 5.301 ( 1.050 -2.581 0.000) 2.787 6.168 ( -8.199 3.814 0.000) 9.043 6.230 ( -5.185 -5.993 0.000) 7.925 6.690 ( -5.696 1.823 0.000) 5.981 6.946 ( -3.533 6.664 0.000) 7.542 7.120 ( -3.568 0.466 0.000) 3.598 7.176 ( -8.064 -9.134 0.000) 12.185 7.427 ( -12.707 -0.280 0.000) 12.710 7.928 ( -8.667 0.169 0.000) 8.668 8.169 ( 5.405 0.149 0.000) 5.408 8.504 ( -3.667 1.047 0.000) 3.814 9.148 ( 5.864 5.937 0.000) 8.344 9.258 ( 11.825 -0.466 0.000) 11.835 9.445 ( -2.271 4.927 0.000) 5.425 9.535 ( -4.084 -11.935 0.000) 12.614 10.112 ( 3.412 -0.026 0.000) 3.412 10.827 ( -6.441 8.310 0.000) 10.514 10.919 ( -8.658 -3.547 0.000) 9.356 11.778 ( -5.185 -4.538 0.000) 6.890 12.949 ( 0.525 -1.710 0.000) 1.789 13.401 ( 1.525 -0.261 0.000) 1.547 14.155 ( 4.189 0.396 0.000) 4.208 14.954 ( 3.661 1.051 0.000) 3.809 15.413 ( 14.770 1.636 0.000) 14.861 ======================= Grid point 59 (40/245) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 6.400 2.584 0.000) 6.902 1.961 ( -2.850 3.991 0.000) 4.904 2.204 ( -13.380 1.053 0.000) 13.422 2.373 ( -11.559 5.388 0.000) 12.753 2.649 ( -11.547 -1.934 0.000) 11.708 2.839 ( -14.150 -1.453 0.000) 14.224 3.385 ( -23.163 5.732 0.000) 23.861 3.587 ( -4.446 -3.745 0.000) 5.813 4.119 ( 16.022 1.241 0.000) 16.070 4.182 ( 6.867 -0.591 0.000) 6.892 4.746 ( 1.861 0.645 0.000) 1.969 4.792 ( 3.343 3.484 0.000) 4.828 5.314 ( -3.559 -6.768 0.000) 7.647 5.964 ( -8.815 0.686 0.000) 8.842 6.133 ( -10.606 -2.577 0.000) 10.915 6.490 ( -10.398 2.822 0.000) 10.774 6.761 ( -13.010 8.405 0.000) 15.489 7.014 ( -10.274 -12.069 0.000) 15.850 7.144 ( 1.938 -1.765 0.000) 2.622 7.344 ( 1.958 2.600 0.000) 3.254 7.754 ( -9.410 -0.243 0.000) 9.413 8.187 ( -4.807 -0.454 0.000) 4.829 8.445 ( -0.924 1.474 0.000) 1.739 9.101 ( -5.682 9.148 0.000) 10.770 9.361 ( -4.717 -10.262 0.000) 11.295 9.456 ( -0.117 3.082 0.000) 3.085 9.547 ( 5.320 -5.820 0.000) 7.885 10.198 ( 6.049 -0.002 0.000) 6.049 10.679 ( -0.617 12.405 0.000) 12.421 10.891 ( 1.219 -5.570 0.000) 5.702 11.705 ( -6.678 -8.439 0.000) 10.761 12.955 ( -1.522 -3.629 0.000) 3.935 13.428 ( 0.938 -0.721 0.000) 1.183 14.200 ( 0.813 0.557 0.000) 0.985 15.014 ( 3.562 2.385 0.000) 4.287 15.705 ( 17.933 4.208 0.000) 18.420 ======================= Grid point 60 (41/245) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.294 7.979 0.000) 7.984 1.736 ( -15.012 13.317 0.000) 20.067 1.953 ( -10.489 -0.769 0.000) 10.517 2.177 ( -9.373 -4.781 0.000) 10.522 2.528 ( -5.175 4.181 0.000) 6.653 2.603 ( -12.716 -1.781 0.000) 12.840 2.938 ( -13.602 9.943 0.000) 16.849 3.518 ( -4.111 -4.812 0.000) 6.329 4.291 ( 3.142 1.456 0.000) 3.463 4.423 ( 14.261 -0.392 0.000) 14.266 4.738 ( 0.551 2.239 0.000) 2.305 4.914 ( 8.138 -2.761 0.000) 8.594 5.243 ( -4.551 -4.601 0.000) 6.472 5.839 ( -19.183 -3.329 0.000) 19.470 5.907 ( 1.950 0.446 0.000) 2.001 6.356 ( -3.446 3.827 0.000) 5.150 6.446 ( -14.996 3.274 0.000) 15.349 6.839 ( -13.536 -5.721 0.000) 14.695 7.254 ( 5.299 -0.691 0.000) 5.344 7.315 ( -1.976 8.444 0.000) 8.673 7.636 ( -3.869 -6.723 0.000) 7.757 8.044 ( -9.486 -3.586 0.000) 10.142 8.410 ( -2.837 2.788 0.000) 3.978 8.907 ( -12.159 1.363 0.000) 12.235 9.218 ( -13.560 -11.016 0.000) 17.470 9.428 ( -0.272 3.294 0.000) 3.305 9.709 ( 8.146 0.919 0.000) 8.197 10.330 ( 7.145 -0.036 0.000) 7.145 10.692 ( 7.775 9.784 0.000) 12.497 10.983 ( 4.876 -4.565 0.000) 6.679 11.604 ( -9.353 -9.096 0.000) 13.047 12.932 ( -3.432 -5.637 0.000) 6.600 13.443 ( 0.089 -1.506 0.000) 1.508 14.184 ( -1.860 0.742 0.000) 2.003 15.057 ( 2.660 3.777 0.000) 4.619 16.033 ( 19.586 5.618 0.000) 20.376 ======================= Grid point 61 (42/245) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -8.919 15.596 0.000) 17.966 1.357 ( -13.717 20.358 0.000) 24.548 1.817 ( -6.493 5.540 0.000) 8.536 2.078 ( -4.727 -5.555 0.000) 7.294 2.204 ( -13.799 -0.131 0.000) 13.799 2.540 ( -0.610 2.968 0.000) 3.030 2.867 ( 5.857 3.672 0.000) 6.913 3.524 ( 2.298 -5.352 0.000) 5.824 4.218 ( -8.563 0.654 0.000) 8.588 4.626 ( 6.697 -1.103 0.000) 6.788 4.805 ( 6.016 -4.136 0.000) 7.301 5.080 ( 6.454 -2.214 0.000) 6.823 5.292 ( 8.726 0.292 0.000) 8.731 5.521 ( -15.035 -5.045 0.000) 15.859 5.998 ( 6.399 1.997 0.000) 6.703 6.143 ( -12.710 1.567 0.000) 12.807 6.342 ( 0.571 2.045 0.000) 2.123 6.593 ( -13.366 -1.332 0.000) 13.433 7.078 ( -9.368 10.673 0.000) 14.201 7.470 ( 11.091 0.937 0.000) 11.131 7.591 ( -8.298 -10.919 0.000) 13.714 7.935 ( -3.330 -3.309 0.000) 4.695 8.316 ( -5.300 2.284 0.000) 5.771 8.595 ( -20.883 -6.644 0.000) 21.915 9.078 ( -4.861 -2.774 0.000) 5.597 9.399 ( -0.352 5.006 0.000) 5.019 9.821 ( 4.547 2.147 0.000) 5.028 10.434 ( 4.147 2.247 0.000) 4.717 10.840 ( 11.073 3.742 0.000) 11.688 11.088 ( 2.907 -3.367 0.000) 4.448 11.451 ( -10.529 -5.129 0.000) 11.712 12.896 ( -3.511 -7.099 0.000) 7.920 13.452 ( -0.132 -2.449 0.000) 2.452 14.137 ( -2.209 1.095 0.000) 2.465 15.071 ( 1.354 5.095 0.000) 5.271 16.356 ( 16.185 2.706 0.000) 16.409 ======================= Grid point 62 (43/245) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 20.003 0.000) 20.003 1.082 ( 0.000 24.281 0.000) 24.281 1.621 ( 0.000 27.693 0.000) 27.693 2.062 ( -0.000 -7.333 0.000) 7.333 2.160 ( -0.000 -14.828 0.000) 14.828 2.512 ( 0.000 4.130 0.000) 4.130 2.949 ( 0.000 0.504 0.000) 0.504 3.619 ( -0.000 -8.647 0.000) 8.647 4.097 ( 0.000 1.100 0.000) 1.100 4.690 ( -0.000 -0.504 0.000) 0.504 4.939 ( -0.000 -11.002 0.000) 11.002 5.141 ( 0.000 2.828 0.000) 2.828 5.374 ( -0.000 -4.153 0.000) 4.153 5.447 ( -0.000 -3.599 0.000) 3.599 5.988 ( 0.000 0.833 0.000) 0.833 6.062 ( 0.000 2.934 0.000) 2.934 6.354 ( 0.000 0.933 0.000) 0.933 6.442 ( 0.000 0.643 0.000) 0.643 6.918 ( 0.000 10.395 0.000) 10.395 7.515 ( -0.000 -9.289 0.000) 9.289 7.599 ( 0.000 3.662 0.000) 3.662 7.909 ( -0.000 -0.329 0.000) 0.329 8.208 ( 0.000 1.878 0.000) 1.878 8.411 ( -0.000 -6.422 0.000) 6.422 9.041 ( 0.000 0.016 0.000) 0.016 9.365 ( 0.000 6.289 0.000) 6.289 9.852 ( 0.000 2.713 0.000) 2.713 10.456 ( 0.000 3.791 0.000) 3.791 11.015 ( -0.000 -3.922 0.000) 3.922 11.081 ( -0.000 -0.329 0.000) 0.329 11.337 ( 0.000 0.241 0.000) 0.241 12.897 ( -0.000 -7.743 0.000) 7.743 13.466 ( -0.000 -3.115 0.000) 3.115 14.107 ( 0.000 1.408 0.000) 1.408 15.054 ( 0.000 6.043 0.000) 6.043 16.533 ( -0.000 -1.916 0.000) 1.916 ======================= Grid point 71 (44/245) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 7.032 -0.000 0.000) 7.032 1.983 ( -1.477 0.000 0.000) 1.477 2.209 ( -14.632 0.000 0.000) 14.632 2.403 ( -12.991 0.000 0.000) 12.991 2.638 ( -10.350 0.000 0.000) 10.350 2.831 ( -14.573 0.000 0.000) 14.573 3.419 ( -21.671 0.000 0.000) 21.671 3.563 ( -4.826 0.000 0.000) 4.826 4.126 ( 16.061 -0.000 0.000) 16.061 4.179 ( 6.852 -0.000 0.000) 6.852 4.749 ( 2.731 -0.000 0.000) 2.731 4.813 ( 1.999 -0.000 0.000) 1.999 5.275 ( -3.670 0.000 0.000) 3.670 5.968 ( -8.706 0.000 0.000) 8.706 6.118 ( -10.492 0.000 0.000) 10.492 6.504 ( -10.643 0.000 0.000) 10.643 6.839 ( -18.791 0.000 0.000) 18.791 6.917 ( -4.022 0.000 0.000) 4.022 7.135 ( 2.099 -0.000 0.000) 2.099 7.358 ( 2.962 -0.000 0.000) 2.962 7.753 ( -10.132 0.000 0.000) 10.132 8.184 ( -5.437 0.000 0.000) 5.437 8.453 ( -0.796 0.000 0.000) 0.796 9.182 ( -6.027 0.000 0.000) 6.027 9.270 ( -9.232 0.000 0.000) 9.232 9.475 ( -1.609 0.000 0.000) 1.609 9.519 ( 11.556 -0.000 0.000) 11.556 10.198 ( 5.987 -0.000 0.000) 5.987 10.781 ( -1.780 0.000 0.000) 1.780 10.826 ( 1.451 -0.000 0.000) 1.451 11.660 ( -6.182 0.000 0.000) 6.182 12.935 ( -1.626 0.000 0.000) 1.626 13.424 ( 0.857 -0.000 0.000) 0.857 14.203 ( 0.774 -0.000 0.000) 0.774 15.027 ( 3.638 -0.000 0.000) 3.638 15.727 ( 18.009 -0.000 0.000) 18.009 ======================= Grid point 73 (45/245) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 2.819 3.059 0.000) 4.160 1.850 ( -10.604 6.827 0.000) 12.612 1.945 ( -11.524 -0.449 0.000) 11.533 2.122 ( -15.476 -4.273 0.000) 16.055 2.562 ( -3.339 2.238 0.000) 4.020 2.584 ( -10.767 -1.688 0.000) 10.898 3.029 ( -14.224 5.526 0.000) 15.259 3.470 ( -4.726 -3.194 0.000) 5.704 4.303 ( 3.564 0.639 0.000) 3.621 4.419 ( 13.832 -0.196 0.000) 13.834 4.760 ( -1.831 1.546 0.000) 2.396 4.886 ( 6.346 -1.939 0.000) 6.636 5.210 ( -0.562 -1.525 0.000) 1.625 5.809 ( -20.229 -1.695 0.000) 20.300 5.916 ( 2.916 0.639 0.000) 2.985 6.381 ( -3.305 1.113 0.000) 3.487 6.479 ( -17.684 2.075 0.000) 17.805 6.790 ( -10.621 -2.864 0.000) 11.001 7.246 ( 8.965 -0.445 0.000) 8.976 7.403 ( -0.445 6.446 0.000) 6.461 7.566 ( -9.097 -5.371 0.000) 10.564 8.017 ( -10.046 -1.351 0.000) 10.136 8.432 ( -2.504 1.225 0.000) 2.788 8.921 ( -18.627 0.988 0.000) 18.653 9.130 ( -7.355 -4.688 0.000) 8.722 9.456 ( -0.154 1.487 0.000) 1.495 9.716 ( 8.850 0.307 0.000) 8.855 10.330 ( 7.533 0.021 0.000) 7.533 10.791 ( 5.277 7.886 0.000) 9.488 10.921 ( 5.324 -6.182 0.000) 8.159 11.542 ( -7.352 -2.813 0.000) 7.872 12.890 ( -3.547 -2.027 0.000) 4.086 13.432 ( -0.093 -0.530 0.000) 0.538 14.190 ( -1.837 0.264 0.000) 1.855 15.084 ( 2.784 1.343 0.000) 3.091 16.071 ( 18.567 1.690 0.000) 18.643 ======================= Grid point 74 (46/245) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -5.875 11.314 0.000) 12.748 1.565 ( -10.451 18.641 0.000) 21.370 1.805 ( -5.726 -4.649 0.000) 7.375 1.957 ( -6.859 -14.744 0.000) 16.261 2.279 ( -12.728 8.893 0.000) 15.527 2.563 ( -0.683 1.247 0.000) 1.422 2.914 ( 3.177 4.771 0.000) 5.732 3.454 ( 0.354 -6.635 0.000) 6.645 4.227 ( -9.204 0.867 0.000) 9.245 4.614 ( 6.768 -0.950 0.000) 6.835 4.765 ( 2.841 -2.963 0.000) 4.105 5.064 ( 10.278 -0.806 0.000) 10.309 5.294 ( 7.400 0.115 0.000) 7.401 5.477 ( -14.737 -2.960 0.000) 15.031 6.020 ( 7.203 1.798 0.000) 7.424 6.156 ( -13.949 0.913 0.000) 13.979 6.355 ( -0.441 0.673 0.000) 0.805 6.579 ( -11.800 -1.176 0.000) 11.859 7.201 ( -9.017 12.211 0.000) 15.180 7.461 ( -1.378 -8.839 0.000) 8.946 7.486 ( 4.652 -2.671 0.000) 5.364 7.910 ( -1.671 -1.517 0.000) 2.257 8.346 ( -5.088 2.876 0.000) 5.844 8.533 ( -21.479 -4.842 0.000) 22.018 9.059 ( -2.193 -1.034 0.000) 2.425 9.443 ( -0.014 3.021 0.000) 3.022 9.838 ( 4.513 0.973 0.000) 4.617 10.452 ( 5.152 1.179 0.000) 5.285 10.882 ( 7.326 3.924 0.000) 8.311 11.045 ( 3.860 -4.141 0.000) 5.661 11.416 ( -7.085 -1.837 0.000) 7.319 12.836 ( -3.448 -4.017 0.000) 5.294 13.432 ( -0.303 -1.315 0.000) 1.350 14.146 ( -2.134 0.593 0.000) 2.215 15.114 ( 1.478 2.820 0.000) 3.184 16.374 ( 13.444 0.834 0.000) 13.470 ======================= Grid point 75 (47/245) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 0.000 16.982 0.000) 16.982 1.334 ( 0.000 23.120 0.000) 23.120 1.773 ( -0.000 -1.300 0.000) 1.300 1.988 ( -0.000 -17.521 0.000) 17.521 2.085 ( 0.000 13.422 0.000) 13.422 2.545 ( 0.000 1.919 0.000) 1.919 2.961 ( 0.000 1.693 0.000) 1.693 3.518 ( -0.000 -9.818 0.000) 9.818 4.107 ( 0.000 0.761 0.000) 0.761 4.684 ( -0.000 -0.707 0.000) 0.707 4.839 ( -0.000 -7.478 0.000) 7.478 5.172 ( 0.000 2.786 0.000) 2.786 5.337 ( -0.000 -2.712 0.000) 2.712 5.409 ( -0.000 -3.397 0.000) 3.397 5.996 ( 0.000 0.639 0.000) 0.639 6.096 ( 0.000 3.070 0.000) 3.070 6.357 ( -0.000 -0.282 0.000) 0.282 6.445 ( -0.000 -0.071 0.000) 0.071 7.036 ( 0.000 11.718 0.000) 11.718 7.409 ( -0.000 -10.690 0.000) 10.690 7.634 ( 0.000 2.694 0.000) 2.694 7.907 ( -0.000 -0.058 0.000) 0.058 8.224 ( 0.000 1.160 0.000) 1.160 8.353 ( -0.000 -4.336 0.000) 4.336 9.042 ( 0.000 0.076 0.000) 0.076 9.423 ( 0.000 4.438 0.000) 4.438 9.874 ( 0.000 1.443 0.000) 1.443 10.491 ( 0.000 2.744 0.000) 2.744 10.980 ( -0.000 -2.515 0.000) 2.515 11.078 ( -0.000 -0.229 0.000) 0.229 11.339 ( 0.000 0.167 0.000) 0.167 12.825 ( -0.000 -5.622 0.000) 5.622 13.438 ( -0.000 -2.075 0.000) 2.075 14.119 ( 0.000 0.936 0.000) 0.936 15.109 ( 0.000 4.176 0.000) 4.176 16.515 ( -0.000 -1.424 0.000) 1.424 ======================= Grid point 86 (48/245) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -3.968 0.000 0.000) 3.968 1.710 ( -5.304 0.000 0.000) 5.304 1.782 ( -6.661 0.000 0.000) 6.661 1.820 ( -13.284 0.000 0.000) 13.284 2.332 ( -9.360 0.000 0.000) 9.360 2.568 ( -0.985 0.000 0.000) 0.985 2.945 ( 1.512 -0.000 0.000) 1.512 3.413 ( -0.339 0.000 0.000) 0.339 4.233 ( -9.529 0.000 0.000) 9.529 4.609 ( 6.669 -0.000 0.000) 6.669 4.749 ( 2.049 -0.000 0.000) 2.049 5.060 ( 11.527 -0.000 0.000) 11.527 5.295 ( 6.938 -0.000 0.000) 6.938 5.461 ( -14.541 0.000 0.000) 14.541 6.030 ( 7.556 -0.000 0.000) 7.556 6.161 ( -14.544 0.000 0.000) 14.544 6.358 ( -0.868 0.000 0.000) 0.868 6.572 ( -11.132 0.000 0.000) 11.132 7.319 ( -8.992 0.000 0.000) 8.992 7.348 ( -8.355 0.000 0.000) 8.355 7.484 ( 11.969 -0.000 0.000) 11.969 7.902 ( -1.148 0.000 0.000) 1.148 8.364 ( -4.213 0.000 0.000) 4.213 8.504 ( -22.414 0.000 0.000) 22.414 9.054 ( -1.450 0.000 0.000) 1.450 9.460 ( 0.044 -0.000 0.000) 0.044 9.843 ( 4.489 -0.000 0.000) 4.489 10.458 ( 5.511 -0.000 0.000) 5.511 10.909 ( 4.711 -0.000 0.000) 4.711 11.018 ( 5.597 -0.000 0.000) 5.597 11.407 ( -6.070 0.000 0.000) 6.070 12.814 ( -3.445 0.000 0.000) 3.445 13.425 ( -0.363 0.000 0.000) 0.363 14.149 ( -2.110 0.000 0.000) 2.110 15.129 ( 1.524 -0.000 0.000) 1.524 16.378 ( 12.604 -0.000 0.000) 12.604 ======================= Grid point 88 (49/245) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.000 8.823 0.000) 8.823 1.571 ( 0.000 21.588 0.000) 21.588 1.707 ( -0.000 -6.148 0.000) 6.148 1.791 ( -0.000 -19.734 0.000) 19.734 2.228 ( 0.000 8.930 0.000) 8.930 2.553 ( -0.000 -0.083 0.000) 0.083 2.980 ( 0.000 1.435 0.000) 1.435 3.432 ( -0.000 -5.149 0.000) 5.149 4.112 ( 0.000 0.271 0.000) 0.271 4.676 ( -0.000 -0.562 0.000) 0.562 4.786 ( -0.000 -2.364 0.000) 2.364 5.196 ( 0.000 1.364 0.000) 1.364 5.317 ( -0.000 -0.938 0.000) 0.938 5.381 ( -0.000 -1.610 0.000) 1.610 6.001 ( 0.000 0.240 0.000) 0.240 6.121 ( 0.000 1.370 0.000) 1.370 6.352 ( -0.000 -0.357 0.000) 0.357 6.443 ( -0.000 -0.103 0.000) 0.103 7.162 ( 0.000 11.736 0.000) 11.736 7.291 ( -0.000 -11.335 0.000) 11.335 7.654 ( 0.000 0.999 0.000) 0.999 7.907 ( 0.000 0.003 0.000) 0.003 8.232 ( 0.000 0.391 0.000) 0.391 8.322 ( -0.000 -1.539 0.000) 1.539 9.043 ( 0.000 0.038 0.000) 0.038 9.456 ( 0.000 1.622 0.000) 1.622 9.883 ( 0.000 0.422 0.000) 0.422 10.511 ( 0.000 0.952 0.000) 0.952 10.963 ( -0.000 -0.807 0.000) 0.807 11.076 ( -0.000 -0.082 0.000) 0.082 11.341 ( 0.000 0.060 0.000) 0.060 12.784 ( -0.000 -2.065 0.000) 2.065 13.423 ( -0.000 -0.725 0.000) 0.725 14.126 ( 0.000 0.327 0.000) 0.327 15.140 ( 0.000 1.490 0.000) 1.490 16.504 ( -0.000 -0.529 0.000) 0.529 ======================= Grid point 175 (50/245) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 0.000 0.000 23.010) 23.010 0.645 ( 0.000 0.000 33.410) 33.410 0.882 ( 0.000 0.000 44.457) 44.457 1.639 ( 0.000 0.000 11.901) 11.901 2.378 ( 0.000 0.000 -6.119) 6.119 2.499 ( 0.000 0.000 0.635) 0.635 3.109 ( 0.000 0.000 -0.502) 0.502 3.132 ( 0.000 0.000 5.232) 5.232 4.055 ( 0.000 0.000 -0.501) 0.501 4.698 ( 0.000 0.000 0.953) 0.953 4.855 ( 0.000 0.000 -6.727) 6.727 5.411 ( 0.000 0.000 -11.781) 11.781 5.575 ( 0.000 0.000 0.420) 0.420 5.847 ( 0.000 0.000 0.069) 0.069 6.000 ( 0.000 0.000 2.825) 2.825 6.154 ( 0.000 0.000 4.197) 4.197 6.334 ( 0.000 0.000 -0.947) 0.947 6.551 ( 0.000 0.000 -4.839) 4.839 6.753 ( 0.000 0.000 3.536) 3.536 7.491 ( 0.000 0.000 0.162) 0.162 7.642 ( 0.000 0.000 -6.472) 6.472 8.019 ( 0.000 0.000 4.920) 4.920 8.133 ( 0.000 0.000 1.577) 1.577 8.433 ( 0.000 0.000 -10.539) 10.539 8.879 ( 0.000 0.000 6.146) 6.146 9.187 ( 0.000 0.000 0.942) 0.942 9.911 ( 0.000 0.000 3.753) 3.753 10.517 ( 0.000 0.000 -5.817) 5.817 11.100 ( 0.000 0.000 0.905) 0.905 11.324 ( 0.000 0.000 -0.596) 0.596 11.522 ( 0.000 0.000 5.126) 5.126 12.456 ( 0.000 0.000 -5.915) 5.915 13.686 ( 0.000 0.000 13.658) 13.658 14.475 ( 0.000 0.000 -5.018) 5.018 14.979 ( 0.000 0.000 -0.276) 0.276 16.449 ( 0.000 0.000 -4.151) 4.151 ======================= Grid point 176 (51/245) ======================= q-point: ( 0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 15.773 -4.072 13.562) 21.196 0.659 ( 16.842 -7.749 14.230) 23.371 1.466 ( 39.419 -1.987 30.030) 49.595 1.707 ( 2.791 -12.430 10.043) 16.222 2.295 ( -5.921 -0.921 -2.279) 6.411 2.544 ( 5.480 1.556 1.570) 5.909 3.033 ( -4.256 3.364 8.447) 10.039 3.233 ( 8.873 -6.156 -2.720) 11.136 4.247 ( 10.217 1.182 -7.234) 12.574 4.608 ( -8.344 0.537 -0.207) 8.364 4.763 ( -6.131 -1.501 -2.953) 6.969 5.254 ( -16.766 1.916 -3.625) 17.260 5.493 ( -13.417 1.592 17.226) 21.893 5.644 ( 11.820 1.499 -3.824) 12.513 6.074 ( -5.036 3.927 5.774) 8.609 6.110 ( 5.836 -1.151 2.327) 6.387 6.184 ( 1.950 -6.402 4.569) 8.104 6.596 ( 12.370 -0.171 -5.869) 13.693 6.900 ( 13.656 -0.360 3.670) 14.145 7.434 ( -4.701 -0.269 -0.310) 4.719 7.819 ( 3.010 0.663 -0.005) 3.082 8.141 ( 0.815 1.218 -0.214) 1.481 8.421 ( 0.554 3.031 -8.117) 8.682 8.783 ( 23.738 4.935 -26.016) 35.562 8.908 ( 3.916 -3.946 0.210) 5.564 9.280 ( 10.589 -1.199 -12.237) 16.227 9.926 ( 2.302 3.348 0.088) 4.064 10.447 ( -6.311 3.374 -4.699) 8.561 10.980 ( -10.441 6.992 12.863) 17.982 11.059 ( -7.818 -7.343 10.615) 15.090 12.135 ( 34.644 25.985 -33.965) 55.037 12.577 ( 8.174 -16.646 -14.977) 23.837 13.673 ( -1.619 -1.476 12.596) 12.785 14.422 ( -3.071 6.972 -1.277) 7.724 14.981 ( 0.153 0.343 1.208) 1.265 15.853 ( -39.670 -11.401 30.343) 51.229 ======================= Grid point 177 (52/245) ======================= q-point: ( 0.15 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 10.822 -6.102 6.183) 13.877 1.152 ( 26.854 -6.420 -4.362) 27.953 1.834 ( 8.551 -6.469 7.417) 13.037 2.076 ( 2.517 -2.197 2.743) 4.323 2.348 ( 27.161 -4.138 13.646) 30.677 2.699 ( 12.259 2.218 2.976) 12.809 2.969 ( -0.716 0.059 8.506) 8.536 3.472 ( 13.238 -1.363 -6.249) 14.702 4.276 ( -3.624 1.182 -1.635) 4.148 4.390 ( -15.052 -1.621 -0.085) 15.140 4.730 ( -0.307 1.431 0.066) 1.465 4.914 ( -17.051 -1.149 -0.791) 17.108 5.518 ( 14.406 3.280 2.029) 14.913 5.880 ( 9.048 3.933 -0.584) 9.883 6.007 ( 1.456 -0.730 2.374) 2.879 6.143 ( -0.416 -4.220 4.571) 6.235 6.412 ( 16.952 -0.537 -1.095) 16.995 6.858 ( 11.855 -3.087 -4.515) 13.056 7.188 ( 15.783 2.462 4.454) 16.583 7.364 ( -0.452 -0.137 -0.747) 0.884 7.848 ( 0.820 1.638 1.727) 2.517 8.128 ( -2.071 0.998 -6.028) 6.452 8.422 ( 1.160 1.744 -0.195) 2.104 8.907 ( 2.221 2.612 -2.754) 4.398 9.007 ( 3.772 -4.550 -3.496) 6.867 9.441 ( 3.323 -1.889 -12.396) 12.972 9.950 ( 2.363 4.604 -6.770) 8.522 10.261 ( -11.652 0.222 -4.406) 12.459 10.768 ( -7.188 10.686 12.474) 17.929 10.986 ( -4.933 -8.106 12.245) 15.491 12.397 ( 13.426 27.773 -19.866) 36.692 12.816 ( 6.658 -7.992 -26.206) 28.195 13.645 ( -2.904 -3.700 10.071) 11.116 14.315 ( -4.027 6.312 2.814) 7.998 14.974 ( -0.797 0.727 4.749) 4.870 15.394 ( -19.930 -18.143 20.005) 33.565 ======================= Grid point 178 (53/245) ======================= q-point: ( 0.23 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 3.076 -4.151 2.531) 5.753 1.622 ( 16.779 -4.589 -7.756) 19.046 1.963 ( -5.805 -4.218 -1.908) 7.425 2.087 ( 12.919 -6.547 4.272) 15.100 2.871 ( 12.390 0.384 1.437) 12.479 2.918 ( 16.836 5.669 5.377) 18.560 3.171 ( 24.350 -7.249 11.012) 27.690 3.682 ( 7.380 2.394 -8.131) 11.238 4.089 ( -14.466 -0.678 3.217) 14.835 4.207 ( -4.003 -0.274 1.059) 4.150 4.628 ( -8.998 -1.066 -1.034) 9.120 4.741 ( -1.838 -0.960 2.410) 3.179 5.755 ( 2.957 8.887 1.468) 9.481 5.959 ( 14.725 2.834 -3.093) 15.311 6.139 ( 2.160 -6.479 2.282) 7.200 6.206 ( 8.410 -3.517 3.035) 9.608 6.742 ( 15.034 3.800 -2.462) 15.701 6.993 ( 2.489 -7.092 -2.167) 7.822 7.399 ( 10.638 6.696 -3.276) 12.990 7.525 ( 14.873 2.117 4.891) 15.799 7.844 ( 1.092 2.701 2.949) 4.146 8.057 ( -4.798 -0.905 -10.407) 11.495 8.438 ( 0.339 -1.631 6.629) 6.835 8.875 ( -4.492 -2.562 -2.279) 5.651 9.162 ( 9.157 -0.945 -2.846) 9.635 9.444 ( -3.396 -1.885 -1.004) 4.012 9.950 ( -0.713 4.336 -7.830) 8.979 10.087 ( -5.021 -6.337 -6.247) 10.218 10.599 ( -4.445 12.532 7.934) 15.484 10.954 ( -2.425 -6.315 13.859) 15.422 12.426 ( 4.948 23.901 -14.887) 28.590 12.906 ( 1.277 -2.247 -18.988) 19.163 13.601 ( -4.181 -4.643 8.383) 10.455 14.209 ( -4.872 2.911 2.068) 6.040 14.940 ( -2.417 -0.096 7.369) 7.756 15.211 ( -10.341 -14.213 6.486) 18.736 ======================= Grid point 179 (54/245) ======================= q-point: ( 0.31 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -0.845 -0.010 -0.855) 1.202 1.645 ( -10.852 -6.705 -3.519) 13.233 2.099 ( 12.401 -4.553 -5.283) 14.227 2.378 ( 13.103 -6.677 0.703) 14.723 3.003 ( 7.863 0.856 1.439) 8.040 3.242 ( 14.576 2.710 -0.618) 14.839 3.649 ( 10.709 -1.003 -0.804) 10.786 3.707 ( 8.794 0.513 1.514) 8.939 3.912 ( -4.615 1.410 3.649) 6.050 4.150 ( -2.238 0.021 0.576) 2.311 4.539 ( -1.968 -3.932 -1.382) 4.609 4.762 ( 3.439 -1.197 5.213) 6.359 5.647 ( -5.810 8.651 2.506) 10.718 6.163 ( 2.118 -3.070 3.672) 5.234 6.265 ( 10.592 -0.902 -4.529) 11.555 6.444 ( 13.544 -2.902 -0.288) 13.854 6.798 ( -3.101 -0.045 3.468) 4.652 7.203 ( 13.493 -1.502 -8.155) 15.837 7.468 ( 1.251 10.740 -1.933) 10.984 7.775 ( 11.883 4.266 4.406) 13.372 7.914 ( 4.797 0.333 -5.397) 7.228 7.999 ( 1.438 -1.824 -1.947) 3.031 8.449 ( -1.002 -5.156 9.006) 10.426 8.792 ( -6.109 -4.920 -1.802) 8.048 9.234 ( -4.754 -0.215 0.667) 4.805 9.360 ( -3.381 0.200 1.028) 3.539 9.946 ( 2.652 2.428 -6.746) 7.644 10.165 ( 6.653 -8.719 -3.202) 11.425 10.472 ( -1.180 10.306 2.620) 10.699 10.978 ( 2.604 -4.273 12.796) 13.739 12.348 ( -0.334 20.255 -11.969) 23.529 12.915 ( -0.710 -0.539 -13.569) 13.598 13.541 ( -4.486 -4.051 7.562) 9.681 14.096 ( -6.315 0.269 0.097) 6.322 14.895 ( -2.554 -1.119 6.424) 7.003 15.117 ( -6.798 -8.589 1.195) 11.018 ======================= Grid point 180 (55/245) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -3.178 4.150 -4.464) 6.874 1.485 ( -9.342 -8.836 -3.855) 13.424 2.322 ( 8.707 -3.785 -3.858) 10.248 2.613 ( 7.831 -5.231 -2.296) 9.693 3.133 ( 4.759 1.366 2.784) 5.681 3.356 ( 2.085 -1.571 -7.426) 7.872 3.742 ( 0.072 2.874 1.666) 3.323 3.836 ( 9.343 2.024 7.264) 12.006 3.942 ( 1.630 3.266 -1.139) 3.824 4.192 ( 7.981 -2.017 -5.809) 10.075 4.545 ( -0.880 -3.271 1.874) 3.871 4.876 ( 6.796 -3.125 7.745) 10.767 5.479 ( -6.962 7.970 1.318) 10.665 6.208 ( 1.342 -3.119 3.017) 4.542 6.424 ( 4.944 -4.397 -1.481) 6.780 6.633 ( 4.350 2.816 -4.140) 6.632 6.783 ( 2.765 -2.909 3.974) 5.648 7.310 ( -1.651 9.524 -4.621) 10.714 7.501 ( 8.779 1.236 -1.871) 9.061 7.843 ( -2.590 -2.022 -11.381) 11.846 7.993 ( 7.876 4.902 1.161) 9.349 8.156 ( 8.904 0.589 5.912) 10.704 8.462 ( -0.596 -5.548 7.911) 9.681 8.715 ( -4.388 -5.074 -0.357) 6.718 9.048 ( -11.863 -0.581 2.616) 12.162 9.353 ( 1.055 -2.330 1.869) 3.168 9.969 ( 1.570 4.220 -5.002) 6.730 10.185 ( -5.984 4.874 3.270) 8.382 10.611 ( 14.401 -6.141 -2.341) 15.830 11.107 ( 8.783 -3.338 8.514) 12.679 12.209 ( -4.238 15.665 -9.012) 18.563 12.895 ( -1.306 0.250 -11.057) 11.136 13.484 ( -3.304 -2.692 6.696) 7.937 13.977 ( -6.150 -0.980 -1.397) 6.383 14.863 ( -1.343 -1.123 4.376) 4.713 15.039 ( -5.116 -4.350 -0.006) 6.716 ======================= Grid point 181 (56/245) ======================= q-point: ( 0.46 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -2.081 2.507 -7.327) 8.019 1.402 ( -3.282 -4.010 -4.859) 7.104 2.457 ( 3.592 -1.963 -2.323) 4.707 2.714 ( 1.422 -1.879 -4.035) 4.673 3.162 ( 0.646 1.083 4.007) 4.201 3.436 ( 3.563 -0.650 -6.266) 7.238 3.682 ( -2.120 -1.627 -2.603) 3.731 3.864 ( -2.913 3.333 -0.534) 4.459 4.075 ( 9.394 1.678 6.706) 11.663 4.332 ( 3.713 -0.416 -7.669) 8.531 4.524 ( -2.003 -1.688 5.719) 6.290 5.010 ( 4.463 -3.016 7.867) 9.534 5.325 ( -4.650 4.689 -0.753) 6.647 6.241 ( 0.748 -1.273 2.043) 2.521 6.489 ( 0.455 -1.990 3.640) 4.173 6.668 ( 1.649 -0.417 -8.586) 8.753 6.848 ( 1.550 0.284 2.302) 2.790 7.224 ( -1.643 4.384 -0.234) 4.688 7.634 ( 4.334 0.441 -2.353) 4.951 7.805 ( -1.619 -1.064 -12.159) 12.312 8.083 ( 3.117 2.156 3.030) 4.852 8.264 ( 3.005 0.341 3.692) 4.773 8.475 ( -0.504 -2.204 4.320) 4.876 8.707 ( 1.822 -1.589 2.947) 3.812 8.854 ( -8.226 -0.876 3.560) 9.007 9.404 ( 1.877 -2.501 2.726) 4.149 9.975 ( 1.978 4.054 -2.004) 4.936 10.037 ( -5.955 1.562 1.848) 6.428 10.851 ( 6.139 -3.284 0.144) 6.964 11.302 ( 7.594 -2.957 3.456) 8.852 12.050 ( -4.426 7.530 -6.627) 10.963 12.873 ( -0.651 0.228 -10.048) 10.071 13.451 ( -1.187 -0.942 6.060) 6.246 13.895 ( -2.657 -0.605 -2.374) 3.614 14.855 ( -0.180 -0.458 3.188) 3.225 14.981 ( -2.236 -1.295 -0.157) 2.588 ======================= Grid point 189 (57/245) ======================= q-point: ( 0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 11.794 -0.000 7.165) 13.800 1.118 ( 28.117 -0.000 -5.050) 28.567 1.796 ( 9.728 -0.000 9.007) 13.258 2.064 ( 3.341 -0.000 2.960) 4.463 2.325 ( 28.064 -0.000 14.297) 31.496 2.711 ( 12.060 -0.000 3.017) 12.432 2.969 ( -1.919 0.000 7.927) 8.156 3.464 ( 14.625 -0.000 -6.185) 15.879 4.284 ( -3.926 0.000 -2.010) 4.411 4.380 ( -15.145 0.000 0.078) 15.145 4.738 ( 0.569 -0.000 0.233) 0.615 4.907 ( -18.222 0.000 -0.785) 18.239 5.536 ( 14.856 -0.000 2.459) 15.059 5.907 ( 12.541 -0.000 -1.437) 12.623 5.997 ( -3.907 0.000 4.253) 5.775 6.119 ( 0.547 -0.000 4.550) 4.582 6.410 ( 18.159 -0.000 -2.047) 18.274 6.840 ( 10.880 -0.000 -5.084) 12.009 7.203 ( 17.395 -0.000 5.004) 18.100 7.363 ( -0.837 0.000 -1.555) 1.766 7.856 ( 1.086 -0.000 1.784) 2.089 8.133 ( -2.505 0.000 -6.084) 6.579 8.432 ( 0.440 -0.000 -1.160) 1.241 8.927 ( -1.721 0.000 -7.000) 7.208 8.975 ( 7.077 -0.000 3.169) 7.754 9.430 ( 3.151 -0.000 -13.574) 13.935 9.974 ( 1.787 -0.000 -8.604) 8.788 10.263 ( -13.342 0.000 -4.079) 13.952 10.876 ( -7.298 0.000 0.320) 7.305 10.893 ( -3.822 0.000 24.910) 25.201 12.642 ( 6.423 -0.000 -5.336) 8.351 12.684 ( 12.956 -0.000 -46.961) 48.715 13.623 ( -3.179 0.000 10.988) 11.438 14.353 ( -5.686 0.000 0.293) 5.693 14.989 ( 0.346 -0.000 0.072) 0.353 15.277 ( -18.848 0.000 31.590) 36.786 ======================= Grid point 190 (58/245) ======================= q-point: ( 0.15 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 4.725 -1.603 3.127) 5.889 1.589 ( 18.147 -1.593 -8.441) 20.077 1.934 ( -7.322 -1.272 -1.473) 7.576 2.035 ( 13.964 -2.732 4.678) 14.978 2.872 ( 12.765 0.066 0.803) 12.790 2.975 ( 17.070 4.312 4.101) 18.077 3.103 ( 24.262 -4.862 13.313) 28.099 3.700 ( 8.295 0.878 -8.513) 11.919 4.084 ( -14.263 -0.189 3.181) 14.615 4.205 ( -3.711 -0.133 0.938) 3.829 4.622 ( -11.286 -0.254 -0.967) 11.330 4.734 ( -0.640 -0.422 2.459) 2.576 5.829 ( 3.882 4.360 0.470) 5.856 5.993 ( 14.565 3.452 -1.769) 15.073 6.065 ( 2.982 -6.227 2.735) 7.426 6.182 ( 6.314 -1.184 3.964) 7.549 6.788 ( 19.385 3.849 -5.122) 20.416 6.923 ( -0.864 -5.007 -0.415) 5.098 7.459 ( 11.201 3.852 -5.752) 13.167 7.531 ( 16.546 -0.574 5.309) 17.386 7.865 ( 0.717 1.123 3.679) 3.912 8.050 ( -5.818 -0.399 -11.140) 12.575 8.428 ( -1.177 -0.437 6.113) 6.241 8.855 ( -5.470 -1.119 -2.740) 6.220 9.157 ( 10.431 -0.151 1.299) 10.513 9.428 ( -2.593 -0.877 -2.679) 3.830 9.990 ( -2.988 3.460 -8.095) 9.297 10.030 ( -5.843 -4.369 -6.661) 9.879 10.721 ( -5.384 9.242 3.759) 11.337 10.879 ( -1.100 -6.763 18.392) 19.627 12.663 ( 3.059 19.803 -15.706) 25.460 12.838 ( 0.802 -10.981 -22.893) 25.403 13.561 ( -3.936 -2.247 8.068) 9.254 14.232 ( -6.546 1.230 1.782) 6.895 14.968 ( -1.844 5.196 5.872) 8.055 15.073 ( -7.531 -10.894 12.452) 18.178 ======================= Grid point 191 (59/245) ======================= q-point: ( 0.23 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 1.882 0.240 -0.539) 1.972 1.585 ( -12.864 -4.290 -3.019) 13.893 2.063 ( 13.587 -2.194 -5.614) 14.864 2.320 ( 13.732 -3.926 1.050) 14.321 3.011 ( 7.735 0.630 1.068) 7.834 3.267 ( 12.115 1.960 -2.335) 12.492 3.631 ( 22.071 -1.824 1.605) 22.204 3.712 ( 0.522 0.273 2.688) 2.751 3.929 ( -4.105 1.563 1.731) 4.721 4.150 ( -2.242 0.038 1.333) 2.608 4.506 ( -1.872 -2.173 -2.470) 3.786 4.752 ( 2.796 -0.685 5.287) 6.020 5.731 ( -6.068 6.848 1.597) 9.288 6.104 ( 0.665 -6.199 3.537) 7.168 6.278 ( 8.297 2.199 1.422) 8.701 6.414 ( 17.287 -2.539 -3.075) 17.741 6.806 ( -4.723 1.077 2.943) 5.668 7.181 ( 16.114 -1.994 -8.200) 18.190 7.578 ( 2.295 8.970 -3.814) 10.014 7.800 ( 8.886 0.464 -0.805) 8.935 7.922 ( 5.540 1.299 -2.359) 6.160 7.978 ( 2.635 -2.003 -1.564) 3.661 8.403 ( -2.037 -3.283 9.520) 10.275 8.751 ( -6.244 -2.668 -1.535) 6.961 9.232 ( -5.049 -0.106 2.350) 5.570 9.363 ( -3.454 0.298 1.243) 3.683 9.966 ( 5.159 1.690 -5.227) 7.536 10.080 ( 5.309 -6.458 -5.933) 10.252 10.579 ( -4.282 8.636 1.561) 9.764 10.930 ( 3.750 -4.407 15.091) 16.162 12.559 ( -2.705 18.856 -15.415) 24.505 12.877 ( -1.171 -6.930 -12.377) 14.233 13.501 ( -3.817 -2.972 5.878) 7.613 14.098 ( -7.275 0.140 0.892) 7.331 14.899 ( -2.599 1.883 7.609) 8.259 15.029 ( -3.873 -7.513 2.318) 8.764 ======================= Grid point 192 (60/245) ======================= q-point: ( 0.31 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -1.520 5.495 -4.016) 6.974 1.388 ( -9.418 -9.192 -3.370) 13.585 2.291 ( 9.494 -1.959 -4.087) 10.520 2.560 ( 8.856 -4.259 -1.430) 9.931 3.153 ( 6.454 2.111 1.884) 7.047 3.339 ( 0.525 -1.539 -7.662) 7.832 3.762 ( -2.783 1.067 4.309) 5.240 3.866 ( 9.890 3.455 4.436) 11.376 3.962 ( 3.833 0.474 -1.812) 4.266 4.175 ( 7.887 -1.173 -3.908) 8.880 4.517 ( 0.082 -1.983 0.128) 1.989 4.846 ( 5.936 -2.310 8.236) 10.412 5.564 ( -7.473 7.529 0.484) 10.619 6.154 ( 1.089 -6.364 2.749) 7.018 6.396 ( 5.151 -1.047 2.400) 5.778 6.639 ( 1.921 -1.418 -1.855) 3.023 6.777 ( 5.462 1.297 0.527) 5.639 7.400 ( 3.463 6.077 -8.100) 10.702 7.527 ( 2.942 4.640 -0.393) 5.508 7.809 ( -3.657 -4.434 -11.907) 13.222 8.046 ( 7.953 5.053 0.176) 9.424 8.155 ( 8.561 -0.879 4.674) 9.794 8.411 ( 1.516 -3.781 10.660) 11.412 8.668 ( -3.684 -3.640 -0.409) 5.195 9.044 ( -12.019 -0.232 2.918) 12.370 9.330 ( -0.414 -1.854 1.537) 2.444 10.011 ( 1.499 3.967 -4.259) 6.010 10.204 ( -2.544 -1.382 2.747) 3.991 10.579 ( 10.804 -0.100 -2.777) 11.156 11.071 ( 8.964 -3.101 10.072) 13.835 12.376 ( -6.975 15.424 -11.530) 20.482 12.876 ( -1.798 -3.873 -9.517) 10.431 13.455 ( -2.509 -2.479 4.977) 6.100 13.969 ( -6.220 -0.614 -0.654) 6.285 14.859 ( -1.059 0.281 4.815) 4.938 14.993 ( -3.141 -4.071 0.703) 5.189 ======================= Grid point 193 (61/245) ======================= q-point: ( 0.38 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -5.180 2.139 -6.882) 8.875 1.359 ( 1.360 -3.781 -4.880) 6.321 2.442 ( 5.580 -0.798 -2.259) 6.073 2.684 ( 2.615 -3.282 -3.195) 5.275 3.195 ( 1.317 4.744 2.474) 5.510 3.421 ( 4.511 -2.274 -6.233) 8.023 3.659 ( -3.859 -2.222 -0.561) 4.488 3.896 ( -4.235 2.582 -1.290) 5.125 4.090 ( 7.518 1.037 5.906) 9.617 4.332 ( 4.908 0.255 -7.991) 9.381 4.511 ( -0.392 -0.689 5.383) 5.441 4.971 ( 4.771 -3.978 7.833) 9.998 5.389 ( -6.489 6.638 -0.561) 9.300 6.206 ( 1.068 -4.943 1.803) 5.369 6.477 ( 2.941 -0.060 3.534) 4.598 6.635 ( -1.083 -4.781 -2.156) 5.355 6.871 ( 3.235 3.168 -2.569) 5.206 7.301 ( -3.853 9.455 -1.020) 10.261 7.622 ( 2.476 -2.405 -3.677) 5.044 7.785 ( -0.647 -2.944 -10.831) 11.243 8.110 ( 1.132 2.874 2.582) 4.026 8.258 ( 2.131 -1.470 2.491) 3.593 8.471 ( 3.081 1.434 6.169) 7.043 8.684 ( 3.183 -2.819 3.056) 5.236 8.851 ( -7.125 0.211 3.378) 7.888 9.368 ( 2.418 -3.846 1.756) 4.870 10.006 ( -0.153 2.412 -1.222) 2.708 10.061 ( -8.103 2.299 2.316) 8.735 10.820 ( 9.299 -2.409 -1.251) 9.688 11.267 ( 8.510 -3.321 5.056) 10.441 12.146 ( -9.452 10.110 -7.911) 15.941 12.860 ( -1.479 -2.648 -9.241) 9.726 13.438 ( -0.352 -1.345 5.296) 5.475 13.891 ( -1.943 -0.169 -2.080) 2.851 14.852 ( 0.271 0.016 3.262) 3.273 14.967 ( -0.747 -1.324 0.118) 1.524 ======================= Grid point 194 (62/245) ======================= q-point: (-0.54 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.131 -2.393 -7.593) 7.962 1.441 ( 6.808 3.320 -5.262) 9.223 2.484 ( -1.143 3.085 -2.004) 3.853 2.719 ( -0.005 -0.998 -4.461) 4.572 3.176 ( -0.768 3.571 3.916) 5.355 3.438 ( -2.643 -0.231 -5.697) 6.285 3.685 ( 2.503 -1.360 -3.346) 4.394 3.831 ( -0.403 -2.511 0.032) 2.543 4.057 ( -10.589 -1.709 7.481) 13.077 4.342 ( -3.091 1.377 -8.218) 8.888 4.545 ( 3.736 2.316 5.665) 7.171 5.023 ( -2.318 -0.928 7.886) 8.272 5.301 ( 0.950 0.349 -0.658) 1.207 6.235 ( -0.290 -2.200 2.108) 3.061 6.509 ( 0.978 1.083 2.875) 3.225 6.642 ( -2.094 -4.112 -6.727) 8.157 6.869 ( -0.466 3.594 -0.010) 3.624 7.215 ( -1.566 2.526 -0.011) 2.972 7.610 ( -5.268 -4.089 -1.221) 6.779 7.810 ( 2.209 -0.103 -12.561) 12.754 8.068 ( -4.932 -0.454 4.029) 6.385 8.251 ( -3.737 -2.085 3.995) 5.855 8.512 ( 2.731 4.376 4.538) 6.870 8.720 ( 1.105 1.181 0.927) 1.864 8.868 ( 8.429 1.564 4.134) 9.518 9.416 ( 0.094 -0.285 2.798) 2.814 9.923 ( -4.669 -5.168 -0.501) 6.983 10.033 ( 2.724 0.581 0.658) 2.862 10.886 ( -2.461 3.044 -0.353) 3.930 11.324 ( -5.247 1.098 3.158) 6.222 11.996 ( -2.203 -2.499 -6.186) 7.026 12.857 ( -0.284 -2.700 -9.997) 10.359 13.457 ( 1.978 0.170 6.684) 6.973 13.903 ( 3.303 0.923 -2.686) 4.356 14.862 ( 0.896 0.807 3.055) 3.284 14.993 ( 3.583 1.009 -0.437) 3.748 ======================= Grid point 195 (63/245) ======================= q-point: (-0.46 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 4.509 -2.885 -4.948) 7.290 1.570 ( 9.773 7.113 -4.673) 12.959 2.372 ( -7.623 5.766 -3.569) 10.203 2.662 ( -6.120 3.707 -3.205) 7.840 3.130 ( -4.089 0.961 3.515) 5.477 3.371 ( -3.155 1.317 -6.389) 7.246 3.704 ( -3.888 -3.988 -0.623) 5.604 3.822 ( -7.899 -0.820 8.768) 11.830 3.896 ( 0.035 -5.339 -0.066) 5.340 4.217 ( -7.319 2.638 -7.022) 10.480 4.585 ( 1.840 4.157 2.911) 5.398 4.908 ( -7.424 2.650 7.359) 10.784 5.402 ( 6.056 -6.470 1.844) 9.052 6.220 ( -1.833 -0.308 3.129) 3.640 6.468 ( -6.114 1.519 -6.209) 8.845 6.602 ( -2.885 -0.838 -1.826) 3.516 6.828 ( -1.312 4.915 3.928) 6.427 7.220 ( 0.397 -6.885 -3.677) 7.815 7.485 ( -9.178 -2.203 -0.254) 9.442 7.852 ( 0.218 -0.241 -10.010) 10.015 7.949 ( -6.511 -2.841 1.620) 7.286 8.143 ( -8.663 -1.835 5.882) 10.631 8.524 ( 1.477 5.898 6.624) 8.991 8.774 ( 5.973 6.043 -1.296) 8.595 9.056 ( 11.448 0.795 2.385) 11.721 9.378 ( -2.137 2.387 2.121) 3.842 9.911 ( -1.706 -7.448 -4.421) 8.828 10.124 ( 5.240 -5.260 3.210) 8.089 10.697 ( -13.342 9.290 -2.847) 16.505 11.139 ( -9.347 2.692 6.915) 11.934 12.054 ( 1.505 -13.167 -7.024) 14.999 12.876 ( 0.471 -3.082 -11.312) 11.734 13.508 ( 3.937 1.733 8.597) 9.613 13.989 ( 5.914 1.160 -2.445) 6.504 14.881 ( 2.138 2.145 4.035) 5.045 15.082 ( 6.935 3.767 -0.965) 7.950 ======================= Grid point 196 (64/245) ======================= q-point: (-0.38 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 3.717 0.439 -1.354) 3.980 1.718 ( 9.004 6.815 -4.321) 12.091 2.159 ( -10.839 6.822 -4.925) 13.722 2.455 ( -12.206 7.448 0.462) 14.306 2.995 ( -8.528 -0.479 2.013) 8.776 3.213 ( -16.646 -2.681 1.015) 16.891 3.642 ( 0.196 -2.263 -3.817) 4.442 3.706 ( -15.558 0.248 1.519) 15.634 3.902 ( 5.191 -0.449 4.616) 6.961 4.151 ( 1.606 0.468 0.334) 1.705 4.587 ( 2.168 5.056 -0.200) 5.504 4.777 ( -4.392 1.472 4.962) 6.788 5.554 ( 5.311 -8.701 3.041) 10.638 6.160 ( -6.990 -2.270 1.537) 7.508 6.292 ( -9.181 2.334 -6.850) 11.690 6.481 ( -9.322 4.602 0.761) 10.424 6.811 ( 1.068 2.429 4.463) 5.192 7.196 ( -9.442 -3.564 -9.261) 13.697 7.374 ( -2.062 -5.942 1.618) 6.495 7.716 ( -13.280 -6.476 7.465) 16.554 7.913 ( -5.643 0.234 -5.001) 7.544 8.016 ( 0.136 1.276 -3.528) 3.754 8.506 ( -0.122 5.392 8.526) 10.089 8.854 ( 5.708 6.693 -2.176) 9.062 9.237 ( 4.681 0.331 -0.889) 4.776 9.360 ( 3.051 0.237 0.344) 3.079 9.906 ( -2.593 -5.631 -6.336) 8.864 10.228 ( 0.415 0.275 3.128) 3.168 10.409 ( -7.309 1.929 -2.668) 8.017 11.014 ( -2.484 2.314 10.786) 11.308 12.142 ( -1.551 -18.357 -8.988) 20.498 12.898 ( -0.145 -3.347 -13.273) 13.690 13.579 ( 4.848 3.041 10.164) 11.664 14.093 ( 5.125 -0.201 -1.488) 5.340 14.919 ( 3.310 3.259 5.767) 7.405 15.205 ( 9.444 7.893 -0.818) 12.335 ======================= Grid point 197 (65/245) ======================= q-point: (-0.31 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -0.477 5.246 1.473) 5.470 1.684 ( -14.056 6.908 -6.656) 17.018 2.021 ( 4.089 6.487 -2.773) 8.154 2.165 ( -12.768 7.972 4.058) 15.589 2.853 ( -14.087 -4.174 7.907) 16.685 2.872 ( -14.088 -1.761 -0.612) 14.210 3.249 ( -24.402 7.241 9.601) 27.204 3.651 ( -5.865 -3.269 -7.379) 9.976 4.099 ( 14.775 1.239 3.162) 15.160 4.210 ( 4.469 0.240 1.412) 4.693 4.646 ( 5.704 2.347 -1.124) 6.270 4.752 ( 3.304 0.990 2.303) 4.147 5.651 ( -3.520 -10.512 1.596) 11.200 5.935 ( -12.593 -1.721 -3.481) 13.178 6.175 ( -6.453 0.384 0.252) 6.469 6.269 ( -6.779 7.882 2.154) 10.617 6.716 ( -13.230 -0.938 0.419) 13.270 7.059 ( -2.351 4.713 -3.522) 6.336 7.331 ( -8.395 -5.394 -1.479) 10.087 7.485 ( -13.344 -5.321 7.001) 15.981 7.813 ( -2.545 -2.868 2.059) 4.352 8.067 ( 3.455 0.902 -9.645) 10.285 8.462 ( -2.250 2.762 7.172) 8.008 8.905 ( 2.221 3.087 -1.665) 4.152 9.179 ( -6.797 2.190 -8.139) 10.828 9.463 ( 4.439 1.510 0.443) 4.710 9.890 ( -2.440 -7.357 -6.227) 9.943 10.163 ( 2.479 7.803 -5.270) 9.737 10.476 ( 5.901 -9.633 7.690) 13.666 11.006 ( 2.611 3.443 11.791) 12.558 12.177 ( -6.598 -22.330 -11.171) 25.825 12.898 ( -1.916 -3.187 -16.505) 16.919 13.648 ( 4.147 3.861 10.533) 11.961 14.176 ( 2.874 -3.005 0.919) 4.258 14.964 ( 3.228 3.840 6.974) 8.591 15.360 ( 13.531 13.366 1.457) 19.075 ======================= Grid point 198 (66/245) ======================= q-point: (-0.23 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -8.766 9.397 3.767) 13.392 1.251 ( -23.243 12.072 -2.571) 26.317 1.914 ( -7.699 7.746 4.943) 11.987 2.110 ( 0.082 4.173 1.575) 4.461 2.407 ( -24.255 6.540 11.605) 27.672 2.668 ( -13.194 -3.450 3.040) 13.972 2.969 ( -2.291 0.129 10.011) 10.270 3.490 ( -9.997 1.666 -6.391) 11.982 4.265 ( 2.663 -0.658 -0.930) 2.897 4.409 ( 15.031 1.754 -0.138) 15.133 4.713 ( 1.587 -1.531 -0.393) 2.240 4.927 ( 14.807 1.169 -0.813) 14.875 5.468 ( -12.914 -5.979 1.254) 14.286 5.841 ( -8.011 -2.961 -1.029) 8.603 5.999 ( -5.102 -2.355 0.377) 5.632 6.200 ( 0.353 6.228 4.218) 7.530 6.426 ( -14.174 2.252 1.583) 14.439 6.897 ( -14.074 3.858 -3.086) 14.916 7.161 ( -12.625 -2.139 3.211) 13.201 7.361 ( 0.814 -0.835 0.931) 1.493 7.821 ( -0.267 -3.502 1.606) 3.862 8.112 ( 0.665 -2.072 -5.743) 6.141 8.403 ( -3.005 -1.337 1.674) 3.691 8.882 ( -4.642 -1.887 -1.898) 5.358 9.059 ( -3.063 4.977 -9.696) 11.321 9.461 ( -4.415 1.201 -9.740) 10.761 9.880 ( -3.098 -8.198 -1.552) 8.900 10.260 ( 7.837 0.030 -5.117) 9.360 10.674 ( 10.498 -6.452 11.593) 16.919 11.055 ( 4.615 4.867 10.507) 12.465 12.108 ( -15.137 -25.519 -13.517) 32.604 12.848 ( -4.961 -0.905 -21.053) 21.648 13.688 ( 2.361 3.976 10.158) 11.161 14.240 ( 1.384 -7.081 4.592) 8.552 14.992 ( 1.930 3.964 6.635) 7.966 15.596 ( 21.644 18.405 6.844) 29.224 ======================= Grid point 199 (67/245) ======================= q-point: (-0.15 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -14.435 11.205 10.103) 20.881 0.803 ( -12.890 17.913 12.410) 25.319 1.524 ( -34.686 8.953 23.930) 43.080 1.892 ( 1.828 18.751 3.832) 19.225 2.311 ( 4.802 1.685 -2.449) 5.648 2.511 ( -5.895 -4.445 1.447) 7.523 2.991 ( 1.875 -3.742 8.796) 9.741 3.326 ( -2.842 9.761 -4.956) 11.310 4.226 ( -9.437 -2.469 -5.376) 11.138 4.601 ( 5.432 -0.580 -1.523) 5.671 4.788 ( 8.594 2.697 -3.066) 9.514 5.216 ( 13.468 -4.909 -2.164) 14.497 5.464 ( 11.127 -3.393 12.366) 16.978 5.614 ( -11.268 -3.949 -4.041) 12.606 6.038 ( 3.380 -2.659 3.896) 5.803 6.124 ( -7.822 1.700 2.234) 8.311 6.273 ( 3.412 9.155 7.411) 12.263 6.600 ( -13.516 0.585 -2.723) 13.800 6.908 ( -12.526 1.245 2.558) 12.845 7.440 ( 5.127 0.771 -0.094) 5.185 7.803 ( -3.794 -2.513 -0.354) 4.565 8.113 ( -1.964 -4.068 -0.407) 4.535 8.368 ( -4.678 -5.905 -5.128) 9.113 8.723 ( -20.187 -5.442 -15.558) 26.061 8.950 ( -6.508 3.216 -9.552) 11.998 9.299 ( -8.791 2.074 -6.847) 11.334 9.869 ( -2.000 -6.244 3.892) 7.624 10.396 ( 4.608 -4.929 -2.541) 7.210 10.923 ( 12.949 -3.492 11.036) 17.369 11.125 ( 5.884 4.863 8.585) 11.488 11.843 ( -28.199 -24.573 -12.926) 39.574 12.715 ( -6.963 7.224 -22.360) 24.508 13.699 ( 1.018 3.041 11.009) 11.467 14.312 ( 1.065 -11.648 6.082) 13.183 14.995 ( 0.622 3.541 5.193) 6.316 16.015 ( 33.187 15.599 9.418) 37.860 ======================= Grid point 200 (68/245) ======================= q-point: (-0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.000 12.638 19.444) 23.190 0.700 ( 0.000 9.860 30.550) 32.102 0.944 ( 0.000 13.998 38.020) 40.515 1.826 ( 0.000 25.368 -3.797) 25.650 2.377 ( -0.000 -0.450 -5.390) 5.409 2.479 ( -0.000 -3.748 0.857) 3.845 3.039 ( -0.000 -4.620 4.819) 6.676 3.270 ( 0.000 15.788 -6.627) 17.123 4.056 ( 0.000 0.325 -0.651) 0.727 4.671 ( -0.000 -3.898 -0.153) 3.901 4.882 ( 0.000 4.156 -6.144) 7.418 5.397 ( -0.000 -2.584 -11.591) 11.875 5.524 ( -0.000 -9.776 0.866) 9.815 5.799 ( -0.000 -7.870 3.806) 8.742 6.002 ( 0.000 0.476 2.952) 2.990 6.108 ( -0.000 -5.227 4.425) 6.849 6.350 ( 0.000 2.828 -1.005) 3.001 6.553 ( -0.000 -0.083 5.626) 5.626 6.759 ( 0.000 1.183 3.287) 3.494 7.500 ( 0.000 1.734 0.210) 1.747 7.631 ( -0.000 -2.137 -6.434) 6.780 8.009 ( -0.000 -1.700 4.966) 5.249 8.145 ( 0.000 2.013 1.531) 2.529 8.460 ( 0.000 3.259 -12.919) 13.323 8.886 ( 0.000 1.285 2.209) 2.556 9.209 ( 0.000 3.759 1.477) 4.038 9.878 ( -0.000 -5.137 5.191) 7.304 10.472 ( -0.000 -6.562 -2.354) 6.971 11.099 ( -0.000 -0.162 0.911) 0.925 11.324 ( 0.000 0.122 -0.601) 0.613 11.405 ( -0.000 -14.819 13.128) 19.798 12.575 ( 0.000 14.554 -16.896) 22.300 13.696 ( 0.000 1.926 12.424) 12.572 14.393 ( -0.000 -12.950 2.553) 13.199 14.984 ( 0.000 1.991 3.252) 3.813 16.450 ( -0.000 -0.161 -6.683) 6.685 ======================= Grid point 203 (69/245) ======================= q-point: ( 0.15 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 3.102 -0.000 -0.430) 3.132 1.561 ( -13.820 0.000 -2.861) 14.113 2.052 ( 14.014 -0.000 -5.751) 15.148 2.299 ( 13.977 -0.000 1.219) 14.030 3.015 ( 7.752 -0.000 0.936) 7.808 3.279 ( 10.833 -0.000 -3.149) 11.281 3.620 ( 25.764 -0.000 2.471) 25.883 3.713 ( -1.844 0.000 3.432) 3.896 3.938 ( -3.885 0.000 0.801) 3.967 4.150 ( -2.166 0.000 1.795) 2.813 4.494 ( -1.840 0.000 -2.936) 3.464 4.748 ( 2.575 -0.000 5.295) 5.888 5.773 ( -6.339 0.000 0.839) 6.394 6.065 ( 0.795 -0.000 4.217) 4.291 6.293 ( 5.715 -0.000 4.616) 7.346 6.398 ( 19.788 -0.000 -5.451) 20.525 6.813 ( -5.455 0.000 2.910) 6.183 7.169 ( 17.280 -0.000 -8.479) 19.248 7.632 ( 3.378 -0.000 -4.140) 5.343 7.797 ( 6.295 -0.000 -4.152) 7.541 7.933 ( 7.723 -0.000 2.098) 8.003 7.964 ( 2.060 -0.000 -3.654) 4.195 8.385 ( -2.500 0.000 9.755) 10.070 8.737 ( -6.240 0.000 -1.414) 6.398 9.232 ( -5.202 0.000 3.080) 6.045 9.365 ( -3.467 0.000 1.261) 3.690 9.979 ( 9.030 -0.000 -2.720) 9.431 10.042 ( 1.625 -0.000 -8.628) 8.780 10.630 ( -5.976 0.000 -0.239) 5.981 10.902 ( 4.999 -0.000 17.028) 17.746 12.704 ( -6.865 0.000 -24.070) 25.030 12.797 ( 1.715 -0.000 -4.511) 4.826 13.485 ( -3.432 0.000 5.287) 6.304 14.099 ( -7.634 0.000 1.082) 7.710 14.920 ( -4.160 0.000 10.136) 10.957 14.977 ( -1.176 0.000 0.722) 1.380 ======================= Grid point 204 (70/245) ======================= q-point: ( 0.23 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 2.320 5.139 -3.670) 6.727 1.300 ( -12.328 -6.543 -3.254) 14.331 2.278 ( 9.925 -0.573 -4.206) 10.795 2.528 ( 9.314 -1.620 -0.941) 9.501 3.172 ( 8.285 1.069 1.340) 8.461 3.326 ( -1.164 -0.758 -7.565) 7.691 3.768 ( -3.612 0.249 5.182) 6.322 3.901 ( 9.196 2.476 4.042) 10.346 3.956 ( 5.747 -1.103 -3.147) 6.644 4.167 ( 7.324 -0.365 -2.283) 7.680 4.504 ( 0.761 -0.622 -1.291) 1.623 4.829 ( 5.379 -0.844 8.597) 10.176 5.626 ( -7.996 3.524 -0.515) 8.754 6.096 ( 1.477 -3.488 3.493) 5.153 6.393 ( 5.171 0.064 4.406) 6.794 6.622 ( 0.671 -1.141 -0.910) 1.606 6.792 ( 6.452 1.018 -1.096) 6.623 7.431 ( 9.722 0.815 -10.658) 14.449 7.595 ( -3.168 6.131 3.158) 7.589 7.755 ( -4.771 -4.700 -14.501) 15.973 8.096 ( 8.169 4.115 -0.485) 9.160 8.136 ( 7.692 -2.575 3.271) 8.747 8.384 ( 3.809 -1.260 13.482) 14.066 8.641 ( -3.739 -1.386 -0.971) 4.104 9.043 ( -12.005 -0.034 3.129) 12.406 9.316 ( -1.441 -0.727 1.302) 2.074 10.051 ( 0.672 2.937 -3.782) 4.835 10.173 ( 2.359 -3.019 2.635) 4.650 10.591 ( 6.286 1.174 -3.566) 7.322 11.046 ( 9.469 -1.362 11.294) 14.801 12.513 ( -10.111 8.574 -15.125) 20.113 12.824 ( -0.642 -4.403 -6.208) 7.638 13.436 ( -1.942 -0.963 3.885) 4.449 13.964 ( -6.194 -0.205 -0.331) 6.206 14.866 ( -1.470 0.690 5.339) 5.581 14.959 ( -1.430 -2.033 0.852) 2.627 ======================= Grid point 205 (71/245) ======================= q-point: ( 0.31 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -8.708 1.290 -6.321) 10.837 1.326 ( 6.007 -2.373 -5.258) 8.328 2.438 ( 6.975 -0.081 -1.981) 7.251 2.653 ( 3.159 -2.400 -2.659) 4.776 3.255 ( 2.783 6.347 0.476) 6.946 3.385 ( 4.630 -4.600 -5.301) 8.408 3.641 ( -5.706 -1.168 0.916) 5.896 3.917 ( -4.817 1.359 -1.518) 5.230 4.097 ( 5.936 0.335 5.352) 7.999 4.335 ( 6.192 0.210 -8.637) 10.629 4.508 ( 0.829 0.113 4.731) 4.805 4.934 ( 4.301 -2.591 8.215) 9.628 5.453 ( -7.500 4.918 -0.765) 9.002 6.152 ( 1.975 -4.576 2.055) 5.391 6.485 ( 4.485 1.193 3.688) 5.928 6.585 ( -2.968 -4.109 1.089) 5.185 6.901 ( 3.723 2.199 -4.585) 6.302 7.410 ( -4.759 10.496 -3.706) 12.106 7.586 ( -0.707 -4.445 -2.173) 4.998 7.746 ( 1.375 -3.811 -10.873) 11.603 8.142 ( 0.018 3.077 3.490) 4.653 8.236 ( 1.529 -2.419 0.492) 2.904 8.499 ( 5.931 3.180 9.977) 12.035 8.650 ( 3.619 -3.257 0.618) 4.907 8.856 ( -5.908 0.557 3.497) 6.888 9.331 ( 2.005 -2.874 0.701) 3.574 10.033 ( -2.183 2.600 0.205) 3.401 10.074 ( -8.165 -0.098 2.618) 8.575 10.802 ( 10.939 -1.044 -3.431) 11.512 11.237 ( 8.709 -2.119 6.857) 11.285 12.247 ( -13.128 7.953 -9.607) 18.108 12.824 ( -1.340 -3.544 -7.732) 8.610 13.425 ( 0.278 -0.931 4.623) 4.724 13.890 ( -1.407 0.036 -1.897) 2.362 14.854 ( 0.334 0.229 3.278) 3.303 14.955 ( 0.557 -0.907 0.321) 1.112 ======================= Grid point 206 (72/245) ======================= q-point: (-0.62 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -0.837 -1.746 -7.748) 7.986 1.470 ( 9.025 2.111 -5.831) 10.950 2.520 ( 1.653 3.594 -1.291) 4.161 2.696 ( 0.496 -2.893 -4.438) 5.321 3.232 ( -1.338 6.504 1.683) 6.850 3.429 ( -1.485 -1.564 -4.155) 4.682 3.655 ( 3.924 -3.772 -1.698) 5.702 3.814 ( -4.547 -0.857 -0.789) 4.694 4.041 ( -10.916 -1.199 8.001) 13.588 4.359 ( -2.801 1.553 -9.266) 9.804 4.571 ( 5.314 2.406 5.180) 7.801 4.997 ( -0.349 -3.345 7.502) 8.221 5.325 ( -2.701 3.242 0.203) 4.224 6.204 ( 1.088 -3.043 1.785) 3.692 6.498 ( -2.978 -3.046 -0.332) 4.272 6.612 ( 3.042 -1.001 0.758) 3.291 6.908 ( -0.641 3.264 -4.467) 5.569 7.269 ( -4.729 7.087 -1.779) 8.704 7.552 ( -5.626 -6.580 1.036) 8.719 7.803 ( 2.815 -1.152 -12.471) 12.836 8.076 ( -5.928 1.989 5.593) 8.389 8.222 ( -4.319 -3.249 3.157) 6.260 8.557 ( 2.869 3.649 6.221) 7.762 8.735 ( 5.166 1.631 -2.197) 5.846 8.884 ( 8.061 1.385 5.092) 9.635 9.400 ( 2.555 -2.441 1.700) 3.921 9.876 ( -8.730 -3.414 1.448) 9.485 10.043 ( 1.093 1.005 0.398) 1.537 10.913 ( 0.465 1.991 -2.362) 3.124 11.326 ( -2.335 -0.502 4.348) 4.961 11.992 ( -8.914 1.294 -6.618) 11.177 12.823 ( -0.607 -3.396 -9.373) 9.988 13.456 ( 2.568 -0.252 7.060) 7.516 13.913 ( 3.719 0.813 -2.911) 4.792 14.870 ( 1.589 0.764 2.916) 3.407 15.002 ( 4.590 0.613 -0.669) 4.679 ======================= Grid point 207 (73/245) ======================= q-point: (-0.54 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 5.662 -1.822 -5.420) 8.047 1.633 ( 10.100 4.704 -5.565) 12.454 2.442 ( -6.391 7.237 -3.436) 10.249 2.683 ( -3.965 -0.011 -3.388) 5.216 3.156 ( -4.541 3.915 3.079) 6.740 3.381 ( -4.291 0.296 -4.218) 6.024 3.666 ( -5.413 -2.690 -1.806) 6.308 3.807 ( -5.844 -3.403 2.938) 7.374 3.841 ( -0.668 -3.551 6.583) 7.509 4.246 ( -6.599 2.631 -7.489) 10.322 4.632 ( 2.797 4.640 2.839) 6.116 4.925 ( -7.131 0.402 7.225) 10.160 5.347 ( 4.065 -3.694 2.340) 5.970 6.212 ( -1.504 -0.686 2.454) 2.958 6.431 ( -7.499 -6.765 -6.615) 12.073 6.637 ( 0.285 5.751 0.052) 5.758 6.875 ( -0.683 3.520 0.477) 3.617 7.173 ( -3.549 -1.863 -4.233) 5.829 7.452 ( -7.693 -3.914 3.408) 9.280 7.838 ( -4.323 -2.234 -6.792) 8.355 7.939 ( -3.269 0.693 0.737) 3.422 8.118 ( -7.997 -2.729 4.511) 9.579 8.581 ( 1.658 4.736 6.468) 8.186 8.841 ( 7.750 6.414 -3.037) 10.509 9.063 ( 10.871 0.609 2.560) 11.185 9.404 ( -1.937 2.513 2.091) 3.800 9.810 ( -2.963 -10.943 -2.008) 11.514 10.088 ( 3.624 -1.741 1.996) 4.489 10.794 ( -10.148 8.443 -3.907) 13.767 11.162 ( -10.735 1.667 5.223) 12.054 11.935 ( -1.380 -9.162 -5.211) 10.630 12.837 ( -0.013 -3.816 -10.935) 11.582 13.520 ( 4.325 0.677 10.230) 11.127 14.001 ( 5.602 1.020 -3.437) 6.651 14.905 ( 3.015 2.235 3.839) 5.368 15.117 ( 8.371 2.697 -1.904) 8.998 ======================= Grid point 208 (74/245) ======================= q-point: (-0.46 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 6.074 0.654 -1.953) 6.414 1.783 ( 7.891 5.319 -5.205) 10.847 2.240 ( -9.679 8.135 -4.790) 13.521 2.528 ( -10.755 5.967 0.558) 12.312 2.995 ( -10.131 0.465 2.820) 10.526 3.185 ( -17.879 -2.760 1.917) 18.192 3.613 ( 0.903 -2.477 -4.409) 5.137 3.705 ( -12.236 -0.716 0.636) 12.273 3.899 ( 6.536 -0.244 4.298) 7.827 4.161 ( 0.146 1.230 0.687) 1.417 4.644 ( 2.411 5.545 0.709) 6.088 4.792 ( -5.237 1.314 4.493) 7.024 5.465 ( 4.133 -8.068 3.345) 9.663 6.134 ( -9.050 -2.186 -1.059) 9.370 6.294 ( -7.858 -1.891 -5.134) 9.575 6.543 ( -7.124 6.728 -1.062) 9.856 6.845 ( -0.753 3.599 4.518) 5.825 7.134 ( -5.248 -6.803 -8.384) 12.004 7.341 ( -3.747 -1.417 3.968) 5.638 7.645 ( -14.312 -6.495 9.142) 18.182 7.918 ( -6.660 0.524 -3.401) 7.497 8.026 ( 1.821 0.669 -5.512) 5.843 8.559 ( -1.235 4.514 8.269) 9.502 8.932 ( 5.311 7.856 -2.992) 9.944 9.241 ( 5.084 0.406 -1.562) 5.334 9.366 ( 2.128 1.038 -0.622) 2.448 9.818 ( -3.589 -11.103 -3.674) 12.233 10.190 ( 4.931 -4.282 5.251) 8.379 10.502 ( -11.356 12.588 -6.272) 18.076 11.023 ( -3.433 -0.790 7.979) 8.722 11.968 ( -2.720 -14.280 -5.521) 15.550 12.854 ( -0.767 -4.544 -12.645) 13.458 13.603 ( 4.909 1.479 12.969) 13.946 14.092 ( 4.118 0.021 -3.413) 5.349 14.958 ( 4.142 3.785 5.534) 7.881 15.280 ( 11.488 6.115 -2.838) 13.319 ======================= Grid point 209 (75/245) ======================= q-point: (-0.38 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 2.257 4.982 0.235) 5.474 1.763 ( -10.214 7.880 -5.618) 14.071 2.092 ( 1.120 6.558 -3.382) 7.463 2.251 ( -12.809 8.163 4.091) 15.731 2.806 ( -14.967 -4.238 7.823) 17.412 2.857 ( -12.869 -1.560 -0.547) 12.975 3.323 ( -23.168 6.637 7.957) 25.380 3.615 ( -4.540 -3.425 -6.273) 8.467 4.114 ( 15.174 1.491 2.866) 15.514 4.212 ( 4.882 0.235 2.142) 5.336 4.678 ( 2.356 3.677 -1.159) 4.519 4.762 ( 4.571 0.805 2.092) 5.090 5.536 ( -4.465 -11.063 1.348) 12.006 5.923 ( -9.899 -0.455 -3.333) 10.455 6.161 ( -10.317 -2.446 -1.970) 10.785 6.354 ( -6.061 7.655 0.948) 9.810 6.722 ( -12.051 1.994 3.253) 12.641 7.078 ( -1.888 -1.442 -4.685) 5.253 7.299 ( -4.956 -0.681 0.285) 5.011 7.421 ( -11.746 -6.118 9.636) 16.378 7.786 ( -4.829 -2.175 1.318) 5.457 8.075 ( 2.055 0.598 -9.055) 9.304 8.494 ( -3.649 2.960 7.442) 8.802 8.942 ( -0.805 4.021 -1.657) 4.423 9.206 ( -4.321 2.712 -11.901) 12.948 9.473 ( 4.480 0.123 0.664) 4.530 9.792 ( -4.410 -10.908 -2.660) 12.063 10.234 ( -0.302 4.148 -1.412) 4.392 10.422 ( 7.971 0.991 2.312) 8.359 11.023 ( 2.251 -0.504 9.124) 9.412 11.965 ( -6.914 -17.361 -6.452) 19.770 12.851 ( -2.476 -5.260 -14.917) 16.010 13.679 ( 3.882 1.969 14.115) 14.771 14.149 ( 1.425 -2.044 -1.782) 3.063 15.013 ( 4.018 5.073 7.004) 9.536 15.486 ( 15.510 10.367 -2.715) 18.853 ======================= Grid point 210 (76/245) ======================= q-point: (-0.31 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -6.299 10.162 1.241) 12.020 1.399 ( -18.508 15.474 -0.785) 24.137 1.982 ( -8.918 4.620 4.531) 11.018 2.161 ( 2.349 5.195 -0.403) 5.715 2.472 ( -18.498 4.922 7.417) 20.528 2.634 ( -15.162 -2.256 3.919) 15.822 2.976 ( -6.293 1.698 11.844) 13.519 3.501 ( -6.875 0.328 -6.435) 9.422 4.265 ( 1.694 0.752 -0.128) 1.858 4.424 ( 14.890 1.089 0.100) 14.930 4.701 ( 2.005 -0.567 -1.028) 2.323 4.935 ( 12.505 0.287 -0.805) 12.534 5.396 ( -10.271 -7.411 0.790) 12.690 5.818 ( -10.757 -1.756 -3.127) 11.339 5.963 ( -4.240 -4.012 -0.071) 5.838 6.269 ( -1.071 6.502 3.733) 7.574 6.457 ( -11.832 3.496 4.549) 13.149 6.924 ( -15.727 0.456 -1.041) 15.768 7.157 ( -9.857 2.061 1.254) 10.148 7.347 ( 2.633 -1.667 2.722) 4.138 7.775 ( -0.223 -5.109 1.461) 5.319 8.084 ( -1.682 -3.073 -4.990) 6.097 8.399 ( -4.779 0.634 2.863) 5.607 8.868 ( -6.097 -0.773 -2.615) 6.679 9.106 ( -4.714 3.541 -14.067) 15.252 9.453 ( -6.999 -3.045 -6.016) 9.718 9.797 ( -0.325 -6.269 3.327) 7.104 10.264 ( 4.597 0.773 -5.461) 7.180 10.637 ( 13.525 -0.535 8.381) 15.920 11.087 ( 4.238 1.044 8.523) 9.576 11.873 ( -13.578 -18.481 -6.990) 23.974 12.813 ( -4.501 -5.033 -17.881) 19.113 13.722 ( 1.910 2.297 13.187) 13.521 14.175 ( -0.368 -5.060 2.263) 5.555 15.048 ( 2.749 6.073 7.547) 10.070 15.765 ( 21.301 13.217 -1.594) 25.119 ======================= Grid point 211 (77/245) ======================= q-point: (-0.23 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -11.287 15.208 6.775) 20.115 1.013 ( -10.447 21.029 10.494) 25.720 1.643 ( -26.750 12.845 16.104) 33.762 2.062 ( 1.574 12.464 3.521) 13.047 2.326 ( 2.262 1.029 -2.254) 3.355 2.455 ( -6.693 -5.631 0.678) 8.773 2.961 ( 1.966 -1.863 9.221) 9.610 3.415 ( 0.570 6.381 -7.361) 9.759 4.202 ( -8.842 -1.754 -3.410) 9.638 4.598 ( 3.511 -0.056 -2.308) 4.202 4.812 ( 10.423 1.513 -3.265) 11.026 5.158 ( 9.036 -5.612 -1.112) 10.694 5.426 ( 9.095 -3.725 7.522) 12.376 5.564 ( -10.826 -5.339 -4.508) 12.885 6.018 ( 4.155 -0.970 3.459) 5.493 6.146 ( -8.911 2.379 3.003) 9.700 6.362 ( 4.822 7.173 8.783) 12.323 6.608 ( -14.816 0.789 0.093) 14.837 6.930 ( -11.113 3.101 1.258) 11.606 7.450 ( 6.131 1.108 0.135) 6.232 7.761 ( -5.651 -5.548 -0.887) 7.968 8.058 ( -3.596 -5.873 0.240) 6.891 8.318 ( -6.108 -2.980 -1.648) 6.993 8.671 ( -18.882 -4.580 -9.971) 21.838 8.972 ( -6.791 0.986 -12.120) 13.928 9.318 ( -5.431 1.468 -1.532) 5.830 9.820 ( 0.158 -2.248 4.326) 4.878 10.357 ( 4.012 -2.301 -3.249) 5.652 10.903 ( 14.073 -0.481 8.604) 16.502 11.160 ( 4.339 1.724 6.924) 8.351 11.638 ( -20.698 -14.495 -4.259) 25.626 12.738 ( -5.092 -1.777 -20.383) 21.084 13.730 ( 0.501 2.472 11.743) 12.011 14.201 ( -0.436 -8.799 6.916) 11.200 15.051 ( 1.213 6.550 7.227) 9.828 16.147 ( 24.950 9.101 -3.009) 26.728 ======================= Grid point 212 (78/245) ======================= q-point: (-0.15 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.000 16.862 15.258) 22.740 0.841 ( 0.000 16.114 24.782) 29.561 1.162 ( 0.000 25.017 24.551) 35.051 2.046 ( 0.000 14.912 -7.409) 16.652 2.367 ( -0.000 -1.092 -4.486) 4.617 2.420 ( -0.000 -7.335 1.496) 7.486 3.008 ( -0.000 -1.714 4.858) 5.152 3.418 ( 0.000 10.695 -13.316) 17.079 4.061 ( 0.000 0.567 -1.057) 1.199 4.635 ( -0.000 -2.459 -1.809) 3.052 4.926 ( 0.000 3.592 -5.820) 6.840 5.360 ( -0.000 -4.164 -11.145) 11.897 5.386 ( -0.000 -14.591 3.212) 14.940 5.715 ( -0.000 -7.140 7.422) 10.299 6.010 ( 0.000 0.970 3.309) 3.448 6.077 ( -0.000 -0.845 4.359) 4.440 6.387 ( 0.000 3.799 -0.971) 3.921 6.546 ( -0.000 -1.280 13.970) 14.029 6.781 ( 0.000 3.209 2.473) 4.051 7.527 ( 0.000 3.354 0.351) 3.373 7.597 ( -0.000 -4.377 -6.245) 7.626 7.989 ( -0.000 -1.822 5.064) 5.382 8.170 ( 0.000 2.527 1.364) 2.872 8.473 ( -0.000 -1.043 -10.528) 10.579 8.904 ( 0.000 1.970 -4.509) 4.921 9.255 ( 0.000 4.565 1.740) 4.885 9.831 ( -0.000 -2.609 4.551) 5.246 10.414 ( -0.000 -3.815 -1.264) 4.019 11.097 ( -0.000 -0.283 0.928) 0.970 11.282 ( -0.000 -8.375 14.324) 16.593 11.326 ( 0.000 0.211 -0.613) 0.649 12.674 ( 0.000 3.912 -20.846) 21.210 13.721 ( 0.000 2.446 11.337) 11.598 14.254 ( -0.000 -11.923 8.501) 14.643 15.028 ( 0.000 5.915 6.281) 8.628 16.442 ( -0.000 -1.325 -9.542) 9.633 ======================= Grid point 217 (79/245) ======================= q-point: ( 0.23 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -10.437 0.000 -6.030) 12.054 1.313 ( 8.143 -0.000 -5.505) 9.830 2.438 ( 7.511 -0.000 -1.819) 7.728 2.639 ( 3.268 -0.000 -2.522) 4.127 3.315 ( 6.052 -0.000 1.593) 6.258 3.334 ( 1.903 -0.000 -6.671) 6.937 3.635 ( -6.348 0.000 1.336) 6.487 3.924 ( -5.032 0.000 -1.513) 5.255 4.098 ( 5.364 -0.000 5.150) 7.436 4.336 ( 6.732 -0.000 -8.909) 11.167 4.510 ( 1.318 -0.000 4.335) 4.531 4.920 ( 4.020 -0.000 8.475) 9.380 5.481 ( -7.943 0.000 -0.980) 8.003 6.125 ( 2.515 -0.000 2.346) 3.440 6.494 ( 5.797 -0.000 4.041) 7.066 6.560 ( -4.458 0.000 1.517) 4.710 6.913 ( 3.805 -0.000 -4.791) 6.118 7.495 ( -3.787 0.000 -16.546) 16.974 7.537 ( -4.278 0.000 11.154) 11.946 7.722 ( 3.240 -0.000 -12.027) 12.456 8.164 ( -0.411 0.000 5.700) 5.715 8.218 ( 1.494 -0.000 -2.025) 2.516 8.521 ( 7.156 -0.000 13.819) 15.562 8.628 ( 3.511 -0.000 -2.760) 4.466 8.859 ( -5.428 0.000 3.589) 6.507 9.315 ( 1.682 -0.000 0.255) 1.702 10.055 ( -0.483 0.000 -0.666) 0.823 10.065 ( -10.380 0.000 4.273) 11.225 10.797 ( 11.318 -0.000 -4.486) 12.175 11.226 ( 8.748 -0.000 7.652) 11.622 12.293 ( -14.842 0.000 -10.591) 18.233 12.802 ( -0.797 0.000 -6.765) 6.812 13.420 ( 0.503 -0.000 4.347) 4.376 13.890 ( -1.212 0.000 -1.840) 2.203 14.856 ( 0.260 -0.000 3.277) 3.287 14.950 ( 1.121 -0.000 0.395) 1.189 ======================= Grid point 218 (80/245) ======================= q-point: (-0.69 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -1.194 -0.644 -7.828) 7.945 1.485 ( 10.062 0.715 -6.225) 11.853 2.553 ( 4.567 2.184 -0.225) 5.067 2.667 ( -0.600 -2.040 -4.859) 5.304 3.299 ( -2.974 5.158 -2.854) 6.603 3.403 ( 0.945 -2.842 -0.032) 2.995 3.621 ( 3.955 -1.935 -0.446) 4.425 3.809 ( -6.656 -0.181 -1.516) 6.829 4.032 ( -10.873 -0.425 8.245) 13.653 4.371 ( -2.610 0.659 -10.000) 10.356 4.591 ( 6.382 1.171 4.509) 7.901 4.967 ( 0.018 -1.743 7.500) 7.699 5.354 ( -4.444 1.685 0.775) 4.815 6.179 ( 2.448 -1.406 1.496) 3.195 6.467 ( -5.927 -1.876 -0.932) 6.286 6.610 ( 6.182 0.136 3.374) 7.044 6.933 ( -0.773 1.272 -5.702) 5.893 7.348 ( -7.579 6.593 -9.879) 14.089 7.479 ( -4.851 -6.128 9.051) 11.958 7.792 ( 3.333 -0.713 -12.790) 13.236 8.102 ( -6.443 2.185 8.574) 10.946 8.188 ( -4.524 -2.475 0.534) 5.185 8.584 ( 2.162 1.262 7.661) 8.060 8.751 ( 8.410 1.000 -4.726) 9.698 8.895 ( 7.647 0.565 6.223) 9.875 9.376 ( 3.930 -1.516 0.438) 4.236 9.852 ( -11.378 -1.069 2.846) 11.777 10.051 ( 0.490 0.438 0.533) 0.847 10.927 ( 1.990 0.670 -4.231) 4.723 11.320 ( -0.591 -0.441 5.725) 5.772 12.009 ( -13.060 1.158 -7.236) 14.976 12.794 ( -0.404 -1.590 -8.745) 8.897 13.453 ( 2.876 -0.155 7.210) 7.764 13.919 ( 3.902 0.317 -3.019) 4.944 14.876 ( 2.003 0.312 2.831) 3.482 15.006 ( 5.128 0.202 -0.804) 5.195 ======================= Grid point 219 (81/245) ======================= q-point: (-0.62 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 6.474 -0.886 -5.780) 8.724 1.670 ( 10.230 2.261 -6.222) 12.185 2.521 ( -5.607 7.390 -3.972) 10.091 2.662 ( -2.046 -3.699 -2.327) 4.825 3.205 ( -5.232 4.811 0.872) 7.161 3.374 ( -6.098 -1.599 -0.825) 6.358 3.655 ( -4.125 0.873 -2.413) 4.858 3.748 ( -1.949 -6.189 -2.027) 6.797 3.826 ( -4.723 -0.386 11.376) 12.323 4.269 ( -6.229 1.665 -7.498) 9.889 4.679 ( 3.850 3.938 1.770) 5.785 4.917 ( -6.210 -1.697 7.553) 9.924 5.323 ( 1.387 -1.088 2.900) 3.394 6.211 ( -0.092 0.547 1.702) 1.790 6.357 ( -7.898 -6.194 -4.869) 11.156 6.693 ( 2.311 4.050 1.366) 4.859 6.899 ( -1.201 1.189 -4.024) 4.365 7.176 ( -7.598 1.731 -7.713) 10.965 7.408 ( -5.590 -3.949 9.759) 11.919 7.815 ( -6.501 -1.726 -5.626) 8.769 7.955 ( -2.301 1.865 2.255) 3.723 8.089 ( -7.216 -2.544 1.948) 7.895 8.620 ( 1.772 2.548 6.677) 7.363 8.903 ( 8.991 4.833 -5.314) 11.508 9.067 ( 10.307 0.095 3.691) 10.949 9.432 ( 0.569 2.664 1.534) 3.126 9.699 ( -6.524 -9.080 0.110) 11.181 10.079 ( 2.799 -0.196 1.382) 3.128 10.867 ( -6.528 4.958 -4.846) 9.523 11.174 ( -12.594 0.677 3.669) 13.135 11.862 ( -3.940 -4.558 -3.710) 7.076 12.802 ( -0.099 -2.567 -10.431) 10.743 13.524 ( 4.525 0.132 11.263) 12.139 14.009 ( 5.357 0.587 -4.087) 6.763 14.925 ( 3.644 1.395 3.779) 5.432 15.139 ( 9.283 1.388 -2.596) 9.738 ======================= Grid point 220 (82/245) ======================= q-point: (-0.54 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 7.700 0.550 -2.500) 8.114 1.829 ( 7.531 3.219 -5.893) 10.089 2.324 ( -9.746 7.278 -5.150) 13.209 2.575 ( -8.158 2.963 1.159) 8.756 3.006 ( -12.852 1.614 4.026) 13.565 3.153 ( -18.064 -3.129 1.529) 18.397 3.598 ( -0.212 -0.167 -3.350) 3.361 3.688 ( -8.254 -2.327 -0.877) 8.621 3.896 ( 8.288 -0.228 3.805) 9.123 4.175 ( -1.400 1.368 1.239) 2.316 4.702 ( 2.280 5.377 1.090) 5.941 4.801 ( -5.163 0.246 4.022) 6.549 5.387 ( 2.293 -6.272 3.567) 7.571 6.119 ( -10.071 -0.638 -3.208) 10.589 6.261 ( -5.211 -3.670 -2.230) 6.752 6.613 ( -7.613 5.952 -3.000) 10.118 6.876 ( -1.449 1.654 1.139) 2.476 7.078 ( -3.756 -2.939 -5.500) 7.280 7.325 ( -3.909 -1.901 7.136) 8.356 7.586 ( -14.880 -4.402 9.324) 18.104 7.924 ( -7.674 0.552 -1.479) 7.835 8.030 ( 3.563 0.212 -7.667) 8.457 8.599 ( -2.261 2.964 8.258) 9.060 9.015 ( 5.455 7.422 -4.848) 10.409 9.245 ( 5.930 0.343 -1.309) 6.083 9.386 ( 0.284 2.950 -0.962) 3.116 9.682 ( -4.075 -13.823 -0.695) 14.428 10.159 ( 4.988 -1.644 3.697) 6.422 10.643 ( -9.992 13.386 -6.329) 17.863 10.994 ( -5.778 -4.752 3.895) 8.434 11.845 ( -3.041 -8.789 -1.521) 9.424 12.809 ( -1.106 -3.679 -12.068) 12.664 13.613 ( 4.852 0.443 15.102) 15.868 14.093 ( 3.477 0.145 -4.966) 6.064 14.994 ( 4.742 2.881 5.582) 7.871 15.333 ( 12.798 3.788 -4.407) 14.056 ======================= Grid point 221 (83/245) ======================= q-point: (-0.46 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 4.597 3.808 -0.856) 6.031 1.844 ( -5.943 6.948 -5.032) 10.436 2.152 ( -3.553 4.460 -3.025) 6.455 2.336 ( -12.114 7.792 4.000) 14.949 2.766 ( -14.802 -3.221 7.731) 17.007 2.836 ( -13.427 -2.328 -0.817) 13.652 3.388 ( -20.371 5.765 5.958) 21.993 3.580 ( -4.351 -3.188 -4.884) 7.277 4.128 ( 15.569 1.183 2.279) 15.779 4.215 ( 5.137 0.354 3.238) 6.083 4.721 ( -0.688 4.053 -0.920) 4.212 4.770 ( 5.712 0.971 1.573) 6.003 5.422 ( -5.114 -10.208 1.130) 11.473 5.924 ( -7.662 0.413 -3.016) 8.245 6.130 ( -12.792 -3.246 -3.334) 13.612 6.425 ( -6.331 5.502 -0.249) 8.391 6.757 ( -10.839 4.494 4.606) 12.605 7.038 ( -3.121 -5.338 -3.757) 7.236 7.289 ( -3.272 -2.821 3.870) 5.800 7.380 ( -7.252 -0.407 8.427) 11.126 7.767 ( -7.274 -1.364 0.776) 7.441 8.080 ( 0.647 0.246 -8.578) 8.606 8.521 ( -4.327 2.209 7.348) 8.809 8.994 ( -3.630 5.840 -2.380) 7.276 9.230 ( -3.163 1.349 -13.311) 13.748 9.464 ( 1.614 -1.887 -0.208) 2.492 9.674 ( -1.556 -10.555 1.243) 10.742 10.246 ( 1.979 -0.591 2.497) 3.241 10.497 ( 4.665 11.269 -3.477) 12.682 10.991 ( 1.465 -5.603 4.948) 7.617 11.815 ( -6.039 -10.806 -0.897) 12.411 12.795 ( -2.902 -4.963 -13.991) 15.126 13.691 ( 3.582 0.538 17.491) 17.862 14.133 ( 0.607 -0.989 -4.625) 4.768 15.064 ( 4.598 4.405 7.395) 9.758 15.577 ( 16.357 6.738 -5.683) 18.581 ======================= Grid point 222 (84/245) ======================= q-point: (-0.38 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -3.231 9.378 -0.586) 9.936 1.567 ( -14.099 15.774 0.089) 21.156 2.012 ( -9.699 1.305 4.935) 10.960 2.207 ( -0.221 2.818 -0.043) 2.827 2.500 ( -12.527 0.800 1.348) 12.625 2.627 ( -14.372 0.342 5.538) 15.406 3.013 ( -10.658 5.384 12.872) 17.558 3.492 ( -5.302 -2.202 -6.154) 8.416 4.280 ( 1.301 1.902 0.686) 2.405 4.431 ( 14.478 0.318 0.440) 14.488 4.702 ( 1.250 0.785 -1.642) 2.208 4.931 ( 10.110 -1.110 -0.676) 10.193 5.318 ( -6.551 -6.981 0.638) 9.595 5.796 ( -16.783 -2.828 -6.090) 18.076 5.928 ( 0.706 -2.007 1.347) 2.518 6.334 ( -2.334 5.630 3.331) 6.945 6.497 ( -11.432 3.898 6.589) 13.759 6.902 ( -14.760 -4.270 0.473) 15.373 7.205 ( -8.171 6.347 -0.373) 10.353 7.331 ( 4.406 -0.907 4.124) 6.103 7.715 ( -1.476 -6.214 1.240) 6.506 8.049 ( -4.163 -3.431 -3.866) 6.637 8.415 ( -5.476 2.275 3.034) 6.661 8.866 ( -8.049 0.437 -3.233) 8.685 9.123 ( -8.588 -0.760 -15.317) 17.577 9.406 ( -6.315 -4.429 -2.462) 8.096 9.756 ( 4.452 -1.866 3.906) 6.210 10.275 ( 3.063 1.311 -4.965) 5.979 10.658 ( 13.855 4.199 4.897) 15.283 11.074 ( 4.018 -3.612 5.422) 7.655 11.719 ( -10.690 -10.781 -0.775) 15.202 12.753 ( -4.553 -5.924 -16.275) 17.909 13.737 ( 1.596 0.597 17.544) 17.626 14.134 ( -1.300 -2.760 -1.967) 3.630 15.113 ( 3.347 5.898 8.574) 10.931 15.876 ( 19.702 7.965 -6.507) 22.225 ======================= Grid point 223 (85/245) ======================= q-point: (-0.31 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -7.968 16.092 4.390) 18.486 1.236 ( -9.606 20.775 9.220) 24.675 1.776 ( -16.427 11.108 8.046) 21.401 2.146 ( -2.468 3.447 6.368) 7.650 2.313 ( -4.641 -4.738 2.797) 7.198 2.431 ( -3.948 3.221 -2.913) 5.869 2.952 ( 2.289 0.155 9.189) 9.471 3.452 ( 1.046 0.438 -8.278) 8.355 4.192 ( -8.890 -0.127 -2.283) 9.179 4.599 ( 3.214 0.233 -2.093) 3.842 4.814 ( 10.217 -1.311 -3.101) 10.758 5.108 ( 6.807 -3.567 -0.568) 7.706 5.388 ( 7.534 -3.415 4.394) 9.366 5.504 ( -10.563 -5.916 -4.810) 13.027 6.017 ( 5.655 0.729 3.573) 6.729 6.173 ( -10.447 2.602 3.895) 11.449 6.420 ( 3.993 3.690 9.429) 10.885 6.613 ( -14.916 -0.129 1.132) 14.960 6.980 ( -10.034 6.550 0.105) 11.983 7.462 ( 7.302 0.948 0.082) 7.364 7.685 ( -7.601 -8.517 -0.940) 11.454 8.001 ( -2.749 -4.556 1.608) 5.559 8.306 ( -5.784 0.507 -0.074) 5.806 8.622 ( -19.026 -4.708 -5.913) 20.472 8.975 ( -5.331 -0.211 -11.105) 12.320 9.334 ( -2.138 1.737 -1.320) 3.054 9.819 ( 2.061 1.378 2.534) 3.545 10.344 ( 3.656 -0.499 -5.166) 6.348 10.910 ( 13.788 1.538 6.985) 15.532 11.161 ( 3.427 -1.667 5.354) 6.572 11.526 ( -14.578 -7.129 0.401) 16.233 12.696 ( -4.357 -5.481 -18.445) 19.729 13.748 ( 0.269 0.975 15.561) 15.594 14.128 ( -1.238 -5.206 2.672) 5.981 15.125 ( 1.637 7.100 8.896) 11.500 16.214 ( 18.540 3.955 -8.494) 20.773 ======================= Grid point 224 (86/245) ======================= q-point: (-0.23 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 0.000 18.579 11.072) 21.628 1.029 ( 0.000 19.118 19.362) 27.210 1.438 ( 0.000 25.863 13.592) 29.217 2.138 ( 0.000 2.628 1.380) 2.968 2.325 ( -0.000 -10.626 2.491) 10.914 2.376 ( 0.000 3.804 -6.300) 7.359 2.997 ( -0.000 -0.513 4.788) 4.816 3.485 ( 0.000 2.121 -13.099) 13.269 4.068 ( 0.000 0.670 -1.607) 1.742 4.621 ( -0.000 -0.245 -2.878) 2.888 4.949 ( 0.000 0.219 -5.581) 5.585 5.247 ( -0.000 -10.265 4.652) 11.270 5.314 ( -0.000 -4.488 -10.661) 11.568 5.644 ( -0.000 -6.623 7.924) 10.327 6.022 ( 0.000 1.337 3.838) 4.064 6.082 ( 0.000 1.490 4.490) 4.731 6.422 ( 0.000 2.655 -0.604) 2.723 6.528 ( -0.000 -1.991 14.897) 15.029 6.831 ( 0.000 6.213 1.085) 6.307 7.539 ( -0.000 -6.570 -5.814) 8.773 7.568 ( 0.000 4.156 0.693) 4.213 7.973 ( -0.000 -1.253 5.047) 5.200 8.196 ( 0.000 2.281 1.159) 2.558 8.444 ( -0.000 -4.065 -5.848) 7.122 8.925 ( 0.000 1.826 -7.971) 8.178 9.300 ( 0.000 3.818 0.203) 3.824 9.827 ( 0.000 1.500 1.941) 2.453 10.388 ( -0.000 -1.437 -3.362) 3.656 11.093 ( -0.000 -0.334 0.952) 1.009 11.217 ( -0.000 -4.437 13.865) 14.558 11.329 ( 0.000 0.248 -0.630) 0.677 12.672 ( -0.000 -3.365 -19.631) 19.917 13.743 ( 0.000 1.547 13.388) 13.477 14.150 ( -0.000 -7.670 6.410) 9.995 15.101 ( 0.000 7.475 8.330) 11.192 16.423 ( -0.000 -2.135 -11.214) 11.416 ======================= Grid point 231 (87/245) ======================= q-point: (-0.69 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 6.769 -0.000 -5.917) 8.990 1.682 ( 10.255 -0.000 -6.458) 12.119 2.579 ( -7.870 0.000 -7.200) 10.666 2.623 ( 1.203 -0.000 1.210) 1.706 3.237 ( -5.304 0.000 -1.381) 5.481 3.360 ( -7.342 0.000 1.839) 7.568 3.676 ( -1.205 0.000 -1.644) 2.038 3.699 ( -3.564 0.000 -3.293) 4.853 3.825 ( -5.169 0.000 11.489) 12.599 4.278 ( -6.137 0.000 -7.436) 9.641 4.703 ( 4.557 -0.000 0.844) 4.635 4.904 ( -5.955 0.000 8.071) 10.030 5.318 ( 0.118 -0.000 3.166) 3.168 6.217 ( 1.626 -0.000 1.470) 2.192 6.320 ( -9.112 0.000 -4.271) 10.063 6.715 ( 3.435 -0.000 2.352) 4.163 6.905 ( -2.036 0.000 -5.983) 6.320 7.189 ( -9.455 0.000 -11.806) 15.125 7.383 ( -4.255 0.000 14.823) 15.421 7.805 ( -6.942 0.000 -5.650) 8.950 7.967 ( -2.359 0.000 4.157) 4.779 8.073 ( -6.846 0.000 -0.043) 6.846 8.634 ( 1.850 -0.000 6.781) 7.029 8.931 ( 9.433 -0.000 -6.854) 11.660 9.067 ( 10.028 -0.000 4.869) 11.148 9.450 ( 3.688 -0.000 0.873) 3.790 9.644 ( -10.062 0.000 1.192) 10.132 10.079 ( 2.573 -0.000 1.288) 2.877 10.894 ( -4.776 0.000 -5.202) 7.062 11.178 ( -13.584 0.000 2.989) 13.909 11.838 ( -5.028 0.000 -3.092) 5.903 12.788 ( -0.066 0.000 -10.206) 10.206 13.525 ( 4.586 -0.000 11.606) 12.479 14.013 ( 5.267 -0.000 -4.306) 6.803 14.933 ( 3.867 -0.000 3.775) 5.404 15.146 ( 9.594 -0.000 -2.853) 10.009 ======================= Grid point 233 (88/245) ======================= q-point: (-0.62 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 8.525 0.212 -2.825) 8.983 1.851 ( 7.533 1.063 -6.247) 9.844 2.382 ( -10.914 3.167 -5.904) 12.806 2.592 ( -5.159 0.540 2.075) 5.587 3.024 ( -15.843 1.427 5.856) 16.951 3.123 ( -17.152 -2.003 -0.180) 17.269 3.608 ( -2.114 1.437 -1.055) 2.766 3.661 ( -4.859 -2.312 -3.123) 6.222 3.895 ( 9.288 -0.075 3.553) 9.945 4.186 ( -2.268 0.584 1.611) 2.843 4.753 ( 1.748 3.788 0.339) 4.186 4.794 ( -4.238 -1.518 4.489) 6.358 5.339 ( 0.637 -2.487 3.745) 4.540 6.119 ( -11.420 0.312 -5.334) 12.608 6.228 ( -2.440 -2.066 0.547) 3.243 6.660 ( -8.952 2.544 -3.452) 9.926 6.879 ( -0.798 -0.462 -4.179) 4.280 7.070 ( -3.394 0.443 -2.731) 4.379 7.304 ( -4.382 -1.493 11.220) 12.137 7.555 ( -14.704 -1.403 8.504) 17.044 7.928 ( -8.432 0.241 -0.034) 8.436 8.031 ( 4.808 0.023 -9.245) 10.421 8.621 ( -2.911 1.031 8.339) 8.892 9.076 ( 6.174 3.357 -7.423) 10.222 9.248 ( 6.783 0.127 -0.684) 6.819 9.438 ( -2.240 7.206 0.052) 7.546 9.541 ( -3.713 -12.059 0.640) 12.634 10.150 ( 4.745 -0.343 2.929) 5.587 10.772 ( -6.120 9.769 -5.362) 12.714 10.928 ( -10.307 -6.738 -0.145) 12.315 11.783 ( -2.878 -2.891 1.496) 4.345 12.781 ( -1.239 -1.402 -11.733) 11.881 13.615 ( 4.799 0.060 16.179) 16.876 14.095 ( 3.183 0.077 -5.772) 6.592 15.015 ( 5.043 1.064 5.686) 7.674 15.359 ( 13.419 1.273 -5.260) 14.470 ======================= Grid point 234 (89/245) ======================= q-point: (-0.54 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 6.203 2.062 -1.579) 6.725 1.904 ( -2.430 4.084 -4.901) 6.827 2.186 ( -7.647 1.992 -2.100) 8.177 2.409 ( -11.839 5.446 3.825) 13.581 2.738 ( -13.874 -1.955 8.167) 16.218 2.812 ( -14.643 -2.077 -1.784) 14.896 3.443 ( -16.887 4.332 4.158) 17.922 3.548 ( -5.521 -2.779 -3.585) 7.145 4.138 ( 15.748 0.579 1.698) 15.850 4.219 ( 5.327 0.329 4.253) 6.824 4.752 ( -0.785 1.496 0.577) 1.786 4.788 ( 4.433 2.366 -0.208) 5.029 5.329 ( -5.342 -6.766 1.099) 8.691 5.930 ( -6.355 0.567 -2.821) 6.976 6.099 ( -14.083 -2.287 -3.727) 14.746 6.468 ( -6.764 2.637 -0.873) 7.312 6.815 ( -8.513 6.330 3.107) 11.054 6.974 ( -6.895 -6.565 -0.438) 9.531 7.250 ( -2.844 -3.351 7.587) 8.768 7.395 ( -1.682 1.920 5.332) 5.911 7.757 ( -9.307 -0.648 0.362) 9.336 8.081 ( -0.512 0.035 -8.224) 8.240 8.539 ( -4.514 1.091 7.041) 8.435 9.065 ( -5.339 7.465 -3.834) 9.946 9.223 ( -5.096 -2.998 -11.477) 12.911 9.436 ( -3.503 -2.725 -2.021) 4.876 9.588 ( 6.481 -5.120 3.332) 8.907 10.239 ( 3.691 -0.475 2.641) 4.563 10.632 ( 1.715 13.653 -4.172) 14.379 10.905 ( 0.780 -10.376 0.291) 10.410 11.735 ( -4.830 -4.678 3.998) 7.823 12.752 ( -3.179 -2.970 -13.523) 14.205 13.693 ( 3.361 -0.017 19.602) 19.888 14.127 ( 0.229 -0.333 -6.490) 6.503 15.102 ( 4.952 2.510 7.804) 9.578 15.630 ( 16.584 3.246 -7.439) 18.464 ======================= Grid point 235 (90/245) ======================= q-point: (-0.46 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.082 6.993 -1.819) 7.227 1.722 ( -10.215 12.734 0.012) 16.325 2.017 ( -10.219 0.081 5.080) 11.412 2.210 ( -7.267 -2.337 2.872) 8.156 2.512 ( -10.187 2.067 -1.879) 10.563 2.625 ( -8.915 -1.135 5.080) 10.324 3.088 ( -13.061 8.202 12.265) 19.705 3.455 ( -5.466 -4.578 -5.632) 9.086 4.302 ( 1.527 1.948 1.368) 2.827 4.432 ( 13.945 -0.099 0.696) 13.962 4.717 ( -0.719 1.802 -2.127) 2.879 4.912 ( 7.964 -2.338 -0.329) 8.306 5.255 ( -2.289 -4.745 0.547) 5.297 5.759 ( -20.401 -3.518 -7.221) 21.926 5.921 ( 3.937 0.421 1.859) 4.375 6.383 ( -2.830 3.484 3.035) 5.418 6.541 ( -13.155 4.404 7.832) 15.931 6.845 ( -12.403 -6.010 0.747) 13.802 7.264 ( -0.526 3.237 0.518) 3.320 7.345 ( 0.060 4.723 3.417) 5.830 7.644 ( -4.243 -7.074 0.933) 8.301 8.015 ( -5.789 -2.689 -2.774) 6.960 8.442 ( -5.145 2.486 2.718) 6.327 8.877 ( -11.831 1.540 -3.301) 12.379 9.088 ( -10.826 -5.216 -11.722) 16.787 9.379 ( -2.081 -0.791 -4.270) 4.815 9.746 ( 7.106 -0.383 3.074) 7.752 10.289 ( 2.736 1.174 -4.031) 5.011 10.721 ( 11.930 7.431 2.217) 14.229 11.012 ( 4.521 -7.734 1.992) 9.177 11.640 ( -8.155 -4.604 4.641) 10.451 12.696 ( -4.758 -4.586 -15.564) 16.908 13.738 ( 1.369 -0.225 21.018) 21.064 14.114 ( -1.728 -1.158 -5.493) 5.873 15.167 ( 3.769 4.180 9.511) 11.052 15.938 ( 18.090 4.018 -9.240) 20.707 ======================= Grid point 236 (91/245) ======================= q-point: (-0.38 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -5.034 14.631 2.416) 15.660 1.448 ( -8.858 19.071 8.108) 22.537 1.855 ( -7.879 3.245 3.885) 9.365 2.130 ( -3.713 -7.105 5.004) 9.451 2.272 ( -12.259 -0.070 4.961) 13.225 2.498 ( -2.008 7.375 -0.664) 7.672 2.967 ( 1.595 3.026 9.135) 9.755 3.427 ( -0.004 -4.843 -8.042) 9.387 4.197 ( -9.537 0.902 -1.924) 9.771 4.602 ( 3.893 0.301 -1.315) 4.120 4.785 ( 7.461 -3.655 -2.556) 8.692 5.086 ( 8.455 -0.594 0.151) 8.477 5.355 ( 6.600 -2.644 2.637) 7.583 5.443 ( -10.987 -5.393 -5.197) 13.297 6.032 ( 6.902 1.868 3.539) 7.978 6.198 ( -12.121 2.157 4.637) 13.156 6.445 ( 2.146 1.273 9.376) 9.702 6.604 ( -13.603 -1.467 1.233) 13.737 7.068 ( -9.550 9.849 -0.901) 13.749 7.465 ( 6.067 -0.943 -1.001) 6.221 7.590 ( -5.989 -8.728 0.442) 10.594 7.963 ( -0.889 -2.713 2.499) 3.794 8.324 ( -5.884 2.607 0.424) 6.449 8.571 ( -19.448 -4.927 -3.028) 20.290 8.971 ( -3.176 -0.364 -9.487) 10.011 9.355 ( -0.432 2.098 -4.122) 4.646 9.838 ( 3.189 1.947 1.746) 4.124 10.343 ( 3.013 0.149 -6.970) 7.595 10.934 ( 12.579 3.075 5.832) 14.202 11.128 ( 3.866 -4.268 4.086) 7.061 11.478 ( -10.776 -2.471 3.864) 11.712 12.634 ( -4.215 -5.671 -17.500) 18.873 13.752 ( 0.176 -0.199 20.170) 20.172 14.088 ( -1.646 -2.470 -2.522) 3.895 15.195 ( 1.963 5.838 10.370) 12.061 16.240 ( 14.456 1.241 -11.149) 18.299 ======================= Grid point 237 (92/245) ======================= q-point: (-0.31 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.000 17.691 8.070) 19.445 1.239 ( 0.000 20.198 15.070) 25.200 1.682 ( 0.000 18.588 4.486) 19.122 2.131 ( -0.000 -1.455 7.886) 8.020 2.197 ( -0.000 -13.522 3.784) 14.041 2.442 ( 0.000 7.641 -4.933) 9.095 2.998 ( 0.000 0.729 5.011) 5.063 3.470 ( -0.000 -4.510 -10.940) 11.833 4.075 ( 0.000 0.619 -2.166) 2.253 4.626 ( 0.000 1.022 -2.819) 2.998 4.917 ( -0.000 -6.165 -3.702) 7.191 5.188 ( -0.000 -0.833 3.996) 4.082 5.269 ( -0.000 -3.823 -10.270) 10.958 5.572 ( -0.000 -7.149 7.421) 10.304 6.037 ( 0.000 1.411 4.456) 4.674 6.105 ( 0.000 2.769 4.444) 5.236 6.441 ( 0.000 0.936 -0.156) 0.949 6.505 ( -0.000 -2.340 13.285) 13.490 6.912 ( 0.000 9.031 -0.478) 9.044 7.459 ( -0.000 -8.461 -5.189) 9.926 7.612 ( 0.000 4.000 1.085) 4.145 7.963 ( -0.000 -0.669 4.908) 4.954 8.218 ( 0.000 1.741 0.987) 2.001 8.396 ( -0.000 -4.555 -2.594) 5.242 8.942 ( 0.000 1.371 -8.633) 8.741 9.337 ( 0.000 3.148 -2.746) 4.177 9.853 ( 0.000 2.875 0.774) 2.977 10.378 ( -0.000 -0.712 -6.213) 6.254 11.090 ( -0.000 -0.308 0.977) 1.024 11.183 ( -0.000 -2.041 14.653) 14.795 11.331 ( 0.000 0.227 -0.648) 0.686 12.621 ( -0.000 -5.753 -18.527) 19.399 13.752 ( 0.000 0.222 17.925) 17.926 14.089 ( -0.000 -4.072 0.946) 4.181 15.179 ( 0.000 6.963 10.107) 12.274 16.399 ( -0.000 -2.318 -12.413) 12.628 ======================= Grid point 246 (93/245) ======================= q-point: (-0.62 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 6.783 -0.000 -1.831) 7.025 1.926 ( -1.044 0.000 -4.921) 5.030 2.196 ( -9.138 0.000 -1.652) 9.286 2.440 ( -12.142 0.000 3.781) 12.717 2.727 ( -12.865 0.000 8.621) 15.486 2.799 ( -15.535 0.000 -2.504) 15.736 3.470 ( -15.116 0.000 3.705) 15.563 3.529 ( -6.440 0.000 -3.322) 7.247 4.141 ( 15.767 -0.000 1.480) 15.837 4.221 ( 5.415 -0.000 4.647) 7.136 4.759 ( 0.757 -0.000 1.199) 1.418 4.804 ( 2.371 -0.000 -0.977) 2.565 5.291 ( -5.359 0.000 1.144) 5.480 5.933 ( -5.964 0.000 -2.791) 6.585 6.086 ( -14.433 0.000 -3.722) 14.905 6.481 ( -6.964 0.000 -0.997) 7.035 6.871 ( -1.246 0.000 -3.128) 3.367 6.917 ( -15.181 0.000 6.553) 16.535 7.231 ( -1.772 0.000 7.984) 8.178 7.407 ( 0.002 -0.000 4.850) 4.850 7.754 ( -10.143 0.000 0.183) 10.145 8.081 ( -0.977 0.000 -8.088) 8.147 8.545 ( -4.531 0.000 6.877) 8.235 9.128 ( -3.644 0.000 -6.143) 7.142 9.183 ( -9.630 0.000 -7.590) 12.262 9.420 ( -4.545 0.000 -3.666) 5.839 9.563 ( 10.178 -0.000 3.620) 10.803 10.237 ( 4.118 -0.000 2.512) 4.824 10.764 ( -1.175 0.000 -2.198) 2.492 10.791 ( 2.447 -0.000 -3.543) 4.306 11.711 ( -4.299 0.000 5.919) 7.315 12.736 ( -3.277 0.000 -13.384) 13.779 13.693 ( 3.282 -0.000 20.284) 20.548 14.125 ( 0.123 -0.000 -7.105) 7.107 15.115 ( 5.072 -0.000 7.973) 9.450 15.647 ( 16.609 -0.000 -8.022) 18.445 ======================= Grid point 248 (94/245) ======================= q-point: (-0.54 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 2.482 2.680 -2.540) 4.449 1.821 ( -7.111 5.150 -0.558) 8.798 2.022 ( -9.988 0.815 4.943) 11.174 2.174 ( -14.091 -3.106 5.120) 15.311 2.539 ( -11.366 2.391 -1.899) 11.769 2.606 ( -3.554 -1.853 3.923) 5.608 3.166 ( -12.938 5.141 11.812) 18.258 3.407 ( -6.463 -3.559 -5.765) 9.363 4.317 ( 1.929 0.815 1.764) 2.738 4.431 ( 13.556 -0.095 0.815) 13.581 4.735 ( -3.182 1.220 -2.533) 4.246 4.889 ( 7.311 -1.543 0.157) 7.473 5.221 ( 0.723 -1.615 0.442) 1.824 5.731 ( -21.094 -1.498 -7.155) 22.325 5.928 ( 4.601 0.449 1.629) 4.902 6.407 ( -2.954 1.047 2.933) 4.292 6.583 ( -16.002 2.846 8.938) 18.549 6.789 ( -9.507 -3.518 0.093) 10.138 7.276 ( 5.918 0.161 2.683) 6.500 7.414 ( -1.955 6.004 1.416) 6.471 7.571 ( -8.742 -5.625 0.646) 10.415 7.995 ( -6.404 -1.008 -2.098) 6.814 8.462 ( -4.502 1.088 2.408) 5.220 8.895 ( -17.732 1.397 -2.894) 18.021 9.036 ( -7.172 -3.383 -8.799) 11.845 9.379 ( -0.353 0.275 -6.865) 6.880 9.744 ( 8.183 -0.101 2.593) 8.585 10.298 ( 2.825 0.461 -3.367) 4.419 10.809 ( 9.147 8.728 1.073) 12.689 10.920 ( 6.182 -9.026 -0.278) 10.943 11.612 ( -6.845 -1.116 7.638) 10.316 12.662 ( -4.913 -1.722 -15.321) 16.181 13.735 ( 1.243 -0.184 22.722) 22.757 14.107 ( -1.883 -0.292 -7.255) 7.501 15.198 ( 3.996 1.506 10.076) 10.944 15.965 ( 17.151 1.198 -10.495) 20.143 ======================= Grid point 249 (95/245) ======================= q-point: (-0.46 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -2.496 9.951 0.445) 10.268 1.635 ( -6.650 15.804 6.384) 18.296 1.855 ( -6.677 -1.711 5.334) 8.715 2.017 ( -6.792 -12.641 5.970) 15.543 2.303 ( -10.888 3.925 1.462) 11.666 2.561 ( -1.539 4.033 1.331) 4.517 3.016 ( -0.082 5.708 10.047) 11.556 3.360 ( -1.276 -6.881 -7.947) 10.589 4.207 ( -10.376 0.837 -1.933) 10.588 4.605 ( 4.974 0.218 -0.431) 4.998 4.747 ( 4.360 -2.984 -2.167) 5.711 5.088 ( 11.566 0.587 1.141) 11.637 5.333 ( 7.022 -1.478 2.223) 7.512 5.395 ( -12.909 -3.348 -6.332) 14.763 6.052 ( 7.787 1.641 3.375) 8.644 6.216 ( -13.530 1.099 5.096) 14.500 6.452 ( 0.485 0.374 9.243) 9.263 6.586 ( -11.980 -1.477 0.897) 12.104 7.182 ( -9.438 11.439 -1.748) 14.933 7.417 ( -5.248 -8.534 -3.214) 10.522 7.528 ( 6.179 -2.405 3.163) 7.346 7.942 ( 0.298 -1.272 2.935) 3.213 8.356 ( -5.635 3.052 0.563) 6.433 8.522 ( -20.154 -4.105 -1.385) 20.614 8.969 ( -1.654 -0.175 -8.489) 8.651 9.375 ( 0.133 1.469 -6.553) 6.717 9.855 ( 3.881 1.099 1.691) 4.374 10.345 ( 2.281 0.178 -8.192) 8.506 10.973 ( 10.657 4.214 4.726) 12.396 11.077 ( 5.886 -5.156 3.855) 8.723 11.464 ( -9.112 -0.474 5.997) 10.919 12.584 ( -4.273 -3.504 -17.178) 18.045 13.747 ( 0.118 -0.435 23.252) 23.256 14.071 ( -1.820 -0.876 -5.971) 6.303 15.244 ( 2.185 3.283 11.436) 12.096 16.246 ( 12.243 0.192 -12.526) 17.516 ======================= Grid point 250 (96/245) ======================= q-point: (-0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 0.000 14.595 5.471) 15.586 1.453 ( 0.000 20.136 11.717) 23.297 1.791 ( 0.000 1.710 1.989) 2.623 2.041 ( -0.000 -15.954 5.357) 16.829 2.157 ( 0.000 6.792 6.130) 9.149 2.517 ( 0.000 5.905 -1.151) 6.016 3.017 ( 0.000 3.071 6.072) 6.805 3.400 ( -0.000 -8.107 -9.318) 12.351 4.080 ( 0.000 0.433 -2.612) 2.647 4.640 ( 0.000 1.552 -1.962) 2.501 4.840 ( -0.000 -7.298 -1.778) 7.511 5.211 ( 0.000 4.153 3.509) 5.437 5.235 ( -0.000 -2.521 -10.009) 10.321 5.495 ( -0.000 -7.140 6.097) 9.389 6.051 ( 0.000 1.096 5.033) 5.151 6.136 ( 0.000 2.845 4.206) 5.078 6.445 ( -0.000 -0.012 0.055) 0.056 6.480 ( -0.000 -2.154 11.603) 11.801 7.017 ( 0.000 10.671 -1.800) 10.821 7.361 ( -0.000 -9.907 -4.472) 10.869 7.649 ( 0.000 2.918 1.397) 3.235 7.958 ( -0.000 -0.285 4.754) 4.762 8.233 ( 0.000 1.078 0.870) 1.386 8.353 ( -0.000 -3.395 -0.778) 3.483 8.953 ( 0.000 0.845 -8.321) 8.364 9.366 ( 0.000 2.293 -5.552) 6.007 9.881 ( 0.000 2.211 0.939) 2.402 10.371 ( -0.000 -0.594 -8.821) 8.841 11.087 ( -0.000 -0.214 0.997) 1.020 11.171 ( -0.000 -0.489 15.936) 15.944 11.333 ( 0.000 0.157 -0.662) 0.680 12.562 ( -0.000 -4.869 -18.085) 18.729 13.750 ( -0.000 -0.475 22.161) 22.166 14.059 ( -0.000 -1.706 -3.964) 4.316 15.243 ( 0.000 4.900 11.540) 12.537 16.376 ( -0.000 -1.810 -13.360) 13.482 ======================= Grid point 261 (97/245) ======================= q-point: (-0.54 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -1.162 0.000 -0.739) 1.377 1.740 ( -2.519 0.000 3.955) 4.689 1.861 ( -7.401 0.000 6.716) 9.994 1.908 ( -11.593 0.000 8.477) 14.362 2.327 ( -9.141 0.000 -0.187) 9.143 2.582 ( -1.190 0.000 1.591) 1.987 3.057 ( -0.973 0.000 11.640) 11.680 3.314 ( -1.878 0.000 -8.926) 9.122 4.212 ( -10.770 0.000 -1.978) 10.950 4.606 ( 5.604 -0.000 0.014) 5.604 4.731 ( 3.034 -0.000 -2.112) 3.696 5.092 ( 13.069 -0.000 1.674) 13.176 5.325 ( 7.890 -0.000 2.495) 8.275 5.377 ( -14.574 0.000 -7.277) 16.290 6.061 ( 8.178 -0.000 3.292) 8.816 6.222 ( -14.130 0.000 5.238) 15.069 6.454 ( -0.224 0.000 9.298) 9.300 6.578 ( -11.235 0.000 0.616) 11.252 7.295 ( -8.198 0.000 -2.317) 8.519 7.317 ( -10.142 0.000 -2.834) 10.530 7.519 ( 10.228 -0.000 3.250) 10.732 7.935 ( 0.669 -0.000 3.071) 3.143 8.376 ( -4.624 0.000 0.588) 4.661 8.496 ( -21.314 0.000 -0.864) 21.331 8.968 ( -1.146 0.000 -8.174) 8.254 9.383 ( 0.245 -0.000 -7.429) 7.433 9.861 ( 4.133 -0.000 1.737) 4.483 10.346 ( 1.950 -0.000 -8.616) 8.834 11.019 ( 6.381 -0.000 0.165) 6.383 11.025 ( 10.354 -0.000 8.019) 13.096 11.462 ( -8.701 0.000 6.701) 10.982 12.565 ( -4.316 0.000 -17.119) 17.655 13.745 ( 0.095 -0.000 24.243) 24.243 14.067 ( -1.865 0.000 -7.083) 7.324 15.262 ( 2.265 -0.000 11.833) 12.047 16.247 ( 11.543 -0.000 -12.977) 17.367 ======================= Grid point 263 (98/245) ======================= q-point: (-0.46 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.000 6.780 2.918) 7.382 1.662 ( 0.000 19.149 8.883) 21.109 1.767 ( -0.000 -3.114 5.868) 6.643 1.861 ( -0.000 -17.731 7.372) 19.203 2.231 ( 0.000 4.714 0.235) 4.720 2.559 ( 0.000 1.921 1.076) 2.202 3.057 ( 0.000 3.392 8.828) 9.457 3.319 ( -0.000 -5.544 -9.759) 11.224 4.084 ( 0.000 0.155 -2.856) 2.860 4.656 ( 0.000 1.112 -0.842) 1.395 4.780 ( -0.000 -3.377 -1.584) 3.730 5.217 ( -0.000 -0.876 -9.880) 9.919 5.257 ( 0.000 3.326 4.677) 5.739 5.430 ( -0.000 -4.167 4.218) 5.929 6.059 ( 0.000 0.417 5.392) 5.409 6.160 ( 0.000 1.265 3.998) 4.193 6.444 ( -0.000 -0.113 0.080) 0.139 6.463 ( -0.000 -0.949 10.684) 10.726 7.134 ( 0.000 11.168 -2.835) 11.522 7.251 ( -0.000 -10.843 -3.703) 11.457 7.671 ( 0.000 1.077 1.568) 1.902 7.956 ( -0.000 -0.074 4.661) 4.661 8.240 ( 0.000 0.364 0.812) 0.890 8.328 ( -0.000 -1.250 0.022) 1.250 8.959 ( 0.000 0.286 -7.997) 8.002 9.383 ( 0.000 0.867 -7.156) 7.208 9.897 ( 0.000 0.785 1.358) 1.569 10.366 ( -0.000 -0.274 -10.362) 10.366 11.086 ( -0.000 -0.077 1.009) 1.011 11.169 ( 0.000 0.020 16.811) 16.811 11.334 ( 0.000 0.056 -0.669) 0.672 12.525 ( -0.000 -1.883 -17.996) 18.095 13.746 ( -0.000 -0.281 24.341) 24.342 14.049 ( -0.000 -0.433 -6.462) 6.477 15.279 ( 0.000 1.767 12.373) 12.499 16.363 ( -0.000 -0.690 -13.929) 13.947 ======================= Grid point 350 (99/245) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 0.000 0.000 21.480) 21.480 1.257 ( 0.000 0.000 30.647) 30.647 1.644 ( 0.000 0.000 34.125) 34.125 1.940 ( 0.000 0.000 19.123) 19.123 2.238 ( 0.000 0.000 -7.636) 7.636 2.511 ( 0.000 0.000 0.416) 0.416 3.089 ( 0.000 0.000 -1.683) 1.683 3.268 ( 0.000 0.000 8.914) 8.914 4.048 ( 0.000 0.000 0.131) 0.131 4.670 ( 0.000 0.000 -12.182) 12.182 4.711 ( 0.000 0.000 -0.019) 0.019 5.125 ( 0.000 0.000 -17.516) 17.516 5.589 ( 0.000 0.000 1.049) 1.049 5.840 ( 0.000 0.000 -1.181) 1.181 6.056 ( 0.000 0.000 3.002) 3.002 6.266 ( 0.000 0.000 7.370) 7.370 6.308 ( 0.000 0.000 -1.743) 1.743 6.459 ( 0.000 0.000 -3.556) 3.556 6.840 ( 0.000 0.000 5.375) 5.375 7.484 ( 0.000 0.000 -1.141) 1.141 7.504 ( 0.000 0.000 -7.745) 7.745 8.114 ( 0.000 0.000 4.623) 4.623 8.172 ( 0.000 0.000 2.282) 2.282 8.183 ( 0.000 0.000 -15.599) 15.599 8.997 ( 0.000 0.000 6.048) 6.048 9.212 ( 0.000 0.000 1.575) 1.575 9.996 ( 0.000 0.000 4.730) 4.730 10.390 ( 0.000 0.000 -6.704) 6.704 11.125 ( 0.000 0.000 1.645) 1.645 11.307 ( 0.000 0.000 -1.170) 1.170 11.662 ( 0.000 0.000 9.230) 9.230 12.344 ( 0.000 0.000 -5.395) 5.395 13.953 ( 0.000 0.000 12.013) 12.013 14.347 ( 0.000 0.000 -7.895) 7.895 15.010 ( 0.000 0.000 4.855) 4.855 16.330 ( 0.000 0.000 -8.413) 8.413 ======================= Grid point 351 (100/245) ======================= q-point: ( 0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 7.199 -2.327 17.459) 19.028 1.100 ( -4.826 -3.312 27.932) 28.538 1.929 ( 9.817 6.624 17.408) 21.054 2.033 ( 12.040 -10.170 17.581) 23.611 2.238 ( 4.801 -1.815 1.830) 5.449 2.579 ( 7.491 1.140 1.765) 7.780 3.141 ( 5.287 1.883 -2.859) 6.299 3.227 ( -3.421 -3.295 8.137) 9.421 4.170 ( 9.302 0.337 -1.490) 9.427 4.586 ( -7.933 2.651 -3.075) 8.911 4.652 ( -2.820 -3.331 -7.635) 8.795 5.133 ( -6.291 0.870 -8.948) 10.973 5.573 ( 6.973 3.447 -2.409) 8.142 5.665 ( -12.734 2.271 2.425) 13.161 6.147 ( 6.340 0.278 2.389) 6.781 6.213 ( -3.903 5.484 7.551) 10.115 6.305 ( -2.711 -9.094 6.895) 11.730 6.470 ( 10.515 -3.267 -6.102) 12.589 6.991 ( 14.331 0.452 5.501) 15.357 7.408 ( -3.774 -0.610 -2.668) 4.662 7.780 ( 10.495 0.813 -4.700) 11.528 8.073 ( -5.666 0.737 -9.388) 10.990 8.288 ( 7.336 0.733 -3.407) 8.121 8.363 ( 23.006 -1.092 -11.214) 25.617 8.993 ( 0.553 2.739 5.098) 5.814 9.221 ( 0.505 -2.725 0.138) 2.775 9.971 ( -2.106 1.437 3.411) 4.259 10.334 ( -5.706 1.462 -6.167) 8.529 11.041 ( -7.769 1.026 1.822) 8.046 11.313 ( -0.070 0.014 6.648) 6.648 11.770 ( 11.544 4.502 -4.398) 13.148 12.417 ( 6.187 -2.410 -5.861) 8.856 13.918 ( -3.062 1.624 10.804) 11.346 14.331 ( -2.153 -1.372 -6.743) 7.210 15.017 ( 0.265 -1.366 4.521) 4.731 16.101 ( -20.555 0.139 1.302) 20.597 ======================= Grid point 352 (101/245) ======================= q-point: ( 0.15 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 6.143 -1.937 10.429) 12.257 1.224 ( 12.220 -7.495 11.771) 18.548 2.004 ( 0.754 0.755 4.039) 4.178 2.082 ( -1.418 -5.427 5.322) 7.732 2.614 ( 21.647 -0.466 11.055) 24.310 2.776 ( 13.596 0.472 4.423) 14.305 3.172 ( 2.576 -0.232 10.915) 11.217 3.316 ( 8.930 -2.033 -8.683) 12.621 4.259 ( 0.439 -0.095 0.523) 0.690 4.384 ( -12.507 -1.454 -0.755) 12.613 4.703 ( 4.486 1.562 -2.923) 5.577 4.889 ( -14.973 -0.895 -1.752) 15.102 5.537 ( 4.837 4.511 -0.195) 6.616 5.835 ( 16.920 3.778 -4.142) 17.824 6.094 ( -3.213 3.286 6.490) 7.953 6.250 ( 0.795 -3.876 6.077) 7.251 6.421 ( 11.123 -4.023 2.568) 12.104 6.743 ( 13.778 -5.535 -6.810) 16.336 7.267 ( 9.639 5.161 2.530) 11.223 7.370 ( 4.838 -3.719 1.859) 6.379 7.876 ( 2.194 2.064 0.258) 3.024 7.956 ( -5.792 -0.288 -10.969) 12.408 8.436 ( 8.336 -0.225 1.649) 8.500 8.723 ( 11.840 -0.047 -12.192) 16.995 9.003 ( 3.279 5.125 1.840) 6.357 9.288 ( 4.998 -5.486 -4.040) 8.450 9.907 ( -3.755 1.431 0.327) 4.032 10.166 ( -11.062 0.620 -5.148) 12.217 10.866 ( -8.410 4.833 2.636) 10.051 11.297 ( -1.507 -0.186 13.329) 13.415 11.961 ( 10.952 9.348 -16.891) 22.195 12.559 ( 6.584 -2.825 -7.005) 10.020 13.834 ( -5.055 0.085 8.097) 9.545 14.279 ( -4.228 -1.502 -4.830) 6.592 15.029 ( -0.039 -1.698 3.906) 4.259 15.703 ( -20.394 -2.311 9.547) 22.636 ======================= Grid point 353 (102/245) ======================= q-point: ( 0.23 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -0.583 -1.871 5.043) 5.411 1.519 ( 11.471 -5.872 -1.507) 12.975 1.926 ( -4.526 -2.921 -1.724) 5.656 2.205 ( 8.456 -5.935 8.008) 13.071 2.885 ( 8.441 1.283 0.783) 8.574 3.023 ( 13.102 1.664 3.597) 13.688 3.366 ( 14.769 -2.331 6.168) 16.174 3.500 ( 10.061 0.444 -8.862) 13.415 4.158 ( -10.316 -0.525 4.037) 11.090 4.251 ( -2.225 -1.333 3.766) 4.573 4.606 ( -10.509 -0.723 -1.188) 10.601 4.789 ( 2.231 -1.051 1.909) 3.119 5.737 ( 12.505 6.870 -3.077) 14.596 5.959 ( 3.097 5.616 3.878) 7.495 6.179 ( 10.170 -2.280 0.592) 10.439 6.287 ( 2.933 -2.341 5.682) 6.810 6.693 ( 14.664 -1.602 -1.455) 14.823 6.954 ( 3.597 -6.227 -2.636) 7.659 7.313 ( 5.747 3.165 -4.114) 7.744 7.602 ( 8.316 0.537 -1.765) 8.518 7.827 ( 0.154 2.506 -3.852) 4.598 7.953 ( 3.229 -1.311 1.937) 3.987 8.564 ( 3.791 -2.095 6.534) 7.840 8.812 ( -1.578 -2.342 -3.702) 4.656 9.109 ( 11.904 6.946 -2.266) 13.967 9.427 ( 3.725 -4.902 -1.128) 6.259 9.830 ( -2.700 2.092 -4.402) 5.572 9.974 ( -7.567 -5.334 -5.849) 10.951 10.688 ( -6.705 8.724 3.409) 11.519 11.269 ( -1.135 0.280 14.820) 14.866 12.056 ( 5.155 11.434 -18.352) 22.228 12.669 ( 3.752 -1.228 -7.605) 8.569 13.738 ( -5.957 -3.223 5.339) 8.624 14.188 ( -6.126 -0.736 -3.868) 7.282 15.027 ( -1.084 -1.155 3.690) 4.016 15.391 ( -14.683 -3.811 9.125) 17.702 ======================= Grid point 354 (103/245) ======================= q-point: ( 0.31 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -5.597 1.003 -0.350) 5.697 1.545 ( -9.798 -5.138 -6.622) 12.894 2.025 ( 10.837 -5.003 -1.416) 12.020 2.410 ( 8.816 -6.235 2.665) 11.122 3.022 ( 8.399 0.659 0.454) 8.437 3.205 ( 4.843 -0.990 -3.505) 6.060 3.595 ( 10.387 4.178 -4.099) 11.923 3.717 ( 11.814 0.267 -2.398) 12.058 4.017 ( -4.594 -0.471 7.696) 8.976 4.189 ( -4.183 0.081 3.905) 5.723 4.500 ( -1.628 -4.723 -2.260) 5.483 4.889 ( 7.243 -1.648 6.582) 9.924 5.704 ( -6.543 6.965 3.574) 10.203 6.153 ( 13.022 3.883 -3.249) 13.971 6.280 ( 3.113 -0.573 6.013) 6.795 6.453 ( 10.087 -2.419 0.407) 10.381 6.867 ( 0.609 -1.883 3.034) 3.622 7.056 ( 8.649 -1.103 -6.263) 10.735 7.399 ( 2.298 4.774 -5.490) 7.630 7.609 ( -0.528 -2.560 -14.480) 14.714 7.936 ( 7.685 3.444 5.752) 10.198 8.094 ( 10.432 -2.413 6.372) 12.460 8.598 ( -1.234 -2.659 5.971) 6.652 8.762 ( -3.716 -3.382 -0.219) 5.029 9.270 ( 2.254 2.369 3.155) 4.544 9.390 ( -4.348 0.733 2.244) 4.947 9.807 ( 1.713 1.930 -7.422) 7.858 10.075 ( 12.690 -11.192 -6.430) 18.101 10.519 ( -5.891 10.321 3.137) 12.291 11.266 ( 1.648 1.061 14.358) 14.491 12.048 ( 0.780 11.002 -16.284) 19.667 12.711 ( 0.650 0.525 -8.007) 8.051 13.649 ( -5.860 -5.297 3.586) 8.675 14.062 ( -7.403 -0.160 -3.879) 8.359 14.999 ( -2.314 -0.522 4.195) 4.819 15.186 ( -9.625 -3.691 5.562) 11.713 ======================= Grid point 355 (104/245) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -8.134 5.004 -6.644) 11.634 1.365 ( -10.761 -7.054 -8.804) 15.590 2.254 ( 9.941 -4.047 -2.441) 11.008 2.567 ( 4.572 -3.869 -2.184) 6.375 3.178 ( 6.116 -0.028 0.989) 6.195 3.253 ( 2.749 -2.563 -2.940) 4.772 3.690 ( -0.239 4.422 -5.518) 7.075 3.829 ( 1.514 2.216 -5.043) 5.712 4.043 ( 6.850 0.380 4.243) 8.066 4.166 ( 2.853 -0.550 6.229) 6.874 4.562 ( 4.166 -4.690 0.430) 6.287 5.041 ( 6.951 -2.878 7.771) 10.816 5.520 ( -8.663 6.576 3.673) 11.479 6.259 ( 0.660 -3.192 1.046) 3.423 6.397 ( 8.497 4.264 0.882) 9.547 6.598 ( 3.859 0.673 -0.398) 3.937 6.870 ( 0.069 -4.261 4.312) 6.062 7.127 ( -1.251 7.125 -11.364) 13.471 7.433 ( 5.057 -1.890 -9.365) 10.809 7.670 ( 4.255 -1.016 -4.156) 6.034 8.050 ( 6.169 2.317 5.271) 8.438 8.279 ( 6.426 -2.560 5.734) 8.985 8.556 ( -3.627 -1.071 1.670) 4.134 8.746 ( 0.534 -2.349 4.022) 4.688 9.117 ( -11.065 -0.281 4.366) 11.899 9.404 ( 1.107 -3.984 3.190) 5.222 9.867 ( 5.653 4.495 -4.820) 8.683 10.276 ( -4.923 4.609 6.469) 9.345 10.509 ( 14.838 -5.382 -8.054) 17.720 11.331 ( 5.810 0.762 12.856) 14.128 11.976 ( -2.676 9.397 -13.709) 16.834 12.699 ( -1.078 1.195 -9.056) 9.198 13.579 ( -4.299 -4.770 2.960) 7.071 13.924 ( -6.978 -0.146 -4.357) 8.227 14.956 ( -2.163 -0.372 4.578) 5.077 15.059 ( -5.845 -2.263 2.468) 6.736 ======================= Grid point 356 (105/245) ======================= q-point: ( 0.46 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -4.921 3.251 -12.765) 14.062 1.252 ( -3.993 -3.423 -10.996) 12.189 2.414 ( 4.593 -1.988 -1.914) 5.358 2.621 ( 0.390 -0.936 -5.179) 5.277 3.228 ( 1.195 -0.687 2.006) 2.434 3.350 ( 3.289 0.121 -2.195) 3.956 3.624 ( -2.586 -1.103 -2.597) 3.827 3.805 ( -1.384 3.122 -5.982) 6.889 4.180 ( 6.555 0.826 0.162) 6.609 4.232 ( 1.076 -0.740 1.661) 2.112 4.658 ( 2.979 -1.839 7.705) 8.463 5.175 ( 5.576 -4.772 6.984) 10.131 5.329 ( -7.606 6.216 3.302) 10.363 6.274 ( -0.093 -1.421 0.781) 1.624 6.505 ( 4.204 0.523 -2.975) 5.176 6.604 ( -1.299 1.359 2.729) 3.314 6.909 ( 1.176 -2.540 3.341) 4.358 7.042 ( -2.365 4.148 -13.909) 14.706 7.535 ( 3.166 -1.060 -12.074) 12.527 7.742 ( 2.319 -0.262 4.370) 4.954 8.126 ( 2.520 1.050 4.569) 5.323 8.356 ( 1.332 -1.609 4.959) 5.381 8.500 ( -2.322 -0.513 -0.684) 2.475 8.796 ( 3.984 1.349 4.992) 6.528 8.941 ( -7.545 -1.564 5.106) 9.243 9.452 ( 1.159 -3.726 0.955) 4.017 9.958 ( 6.300 2.166 1.458) 6.820 10.102 ( -8.195 4.236 5.431) 10.705 10.787 ( 7.879 -3.875 -6.792) 11.101 11.453 ( 5.607 -0.692 11.796) 13.079 11.863 ( -3.916 5.078 -12.597) 14.135 12.674 ( -0.677 0.594 -10.165) 10.204 13.542 ( -1.532 -1.932 2.983) 3.870 13.824 ( -3.109 -0.104 -4.975) 5.867 14.932 ( -0.502 -0.200 4.452) 4.484 14.988 ( -2.395 -0.669 1.128) 2.731 ======================= Grid point 364 (106/245) ======================= q-point: ( 0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 6.077 -0.000 11.561) 13.061 1.182 ( 13.192 -0.000 11.974) 17.816 2.023 ( 5.063 -0.000 14.218) 15.093 2.037 ( -6.096 0.000 -4.075) 7.332 2.611 ( 23.307 -0.000 12.194) 26.305 2.779 ( 13.146 -0.000 3.342) 13.564 3.170 ( 1.217 -0.000 12.170) 12.231 3.305 ( 10.200 -0.000 -9.831) 14.167 4.259 ( 0.271 -0.000 0.082) 0.283 4.375 ( -12.602 0.000 -0.727) 12.623 4.712 ( 5.602 -0.000 -3.019) 6.364 4.884 ( -16.338 0.000 -1.604) 16.416 5.562 ( 4.700 -0.000 0.064) 4.700 5.856 ( 17.119 -0.000 -4.027) 17.586 6.113 ( -5.322 0.000 7.598) 9.276 6.227 ( 1.788 -0.000 6.047) 6.306 6.399 ( 12.570 -0.000 1.721) 12.687 6.711 ( 13.602 -0.000 -7.539) 15.551 7.312 ( 18.239 -0.000 5.840) 19.151 7.333 ( -3.212 0.000 -1.703) 3.635 7.887 ( 3.243 -0.000 0.938) 3.376 7.954 ( -7.051 0.000 -12.038) 13.951 8.435 ( 8.013 -0.000 1.429) 8.140 8.723 ( 11.225 -0.000 -11.848) 16.321 9.036 ( 4.126 -0.000 2.891) 5.038 9.252 ( 4.538 -0.000 -4.529) 6.411 9.914 ( -3.958 0.000 -0.036) 3.958 10.169 ( -11.997 0.000 -5.165) 13.061 10.894 ( -7.594 0.000 1.607) 7.762 11.294 ( -1.697 0.000 15.271) 15.365 12.018 ( 11.406 -0.000 -21.757) 24.566 12.539 ( 6.777 -0.000 -5.093) 8.478 13.836 ( -5.893 0.000 9.584) 11.251 14.269 ( -4.021 0.000 -7.097) 8.157 15.021 ( 0.395 -0.000 4.136) 4.155 15.689 ( -20.852 0.000 11.476) 23.801 ======================= Grid point 365 (107/245) ======================= q-point: ( 0.15 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.133 -0.715 6.198) 6.240 1.476 ( 13.239 -2.141 -1.743) 13.524 1.906 ( -5.827 -0.912 -1.313) 6.042 2.160 ( 8.757 -2.276 8.247) 12.243 2.893 ( 8.016 0.376 1.245) 8.121 3.037 ( 13.024 0.817 1.325) 13.117 3.345 ( 15.679 -1.199 9.510) 18.377 3.505 ( 10.880 0.305 -10.629) 15.214 4.154 ( -10.125 -0.170 4.186) 10.957 4.242 ( -1.807 -0.478 3.139) 3.654 4.602 ( -12.481 -0.115 -0.949) 12.517 4.780 ( 2.813 -0.461 1.762) 3.351 5.787 ( 12.734 2.477 -3.774) 13.511 6.026 ( 2.834 6.370 5.132) 8.657 6.124 ( 7.045 -6.231 2.681) 9.780 6.280 ( 4.954 0.057 5.982) 7.767 6.690 ( 17.004 0.436 -3.783) 17.425 6.898 ( 3.726 -3.345 -2.951) 5.812 7.340 ( 5.781 1.499 -5.202) 7.920 7.605 ( 8.486 0.069 -1.973) 8.713 7.848 ( 0.107 1.127 -5.679) 5.791 7.941 ( 2.744 -0.748 2.918) 4.075 8.549 ( 3.266 -0.689 6.877) 7.645 8.794 ( -1.747 -0.923 -3.038) 3.624 9.176 ( 11.605 4.478 0.256) 12.441 9.375 ( 5.270 -3.801 -2.758) 7.059 9.847 ( -2.189 1.040 -5.192) 5.730 9.933 ( -11.046 -2.153 -5.001) 12.315 10.757 ( -6.344 3.567 2.012) 7.551 11.264 ( -1.267 -0.571 18.052) 18.105 12.156 ( 4.927 5.858 -25.228) 26.364 12.650 ( 4.210 -1.650 -5.689) 7.267 13.714 ( -6.903 -1.137 6.848) 9.790 14.179 ( -5.830 -0.613 -6.012) 8.397 15.023 ( -0.342 0.082 3.601) 3.618 15.359 ( -14.817 -1.748 12.100) 19.210 ======================= Grid point 366 (108/245) ======================= q-point: ( 0.23 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -3.302 0.863 0.184) 3.418 1.497 ( -11.169 -3.496 -5.816) 13.069 1.984 ( 11.652 -2.571 -1.460) 12.022 2.357 ( 9.758 -3.532 2.814) 10.753 3.029 ( 8.231 0.581 0.754) 8.286 3.197 ( 3.412 -0.523 -5.119) 6.174 3.628 ( 12.970 1.918 -2.287) 13.309 3.720 ( 11.729 0.339 -3.084) 12.132 4.014 ( -4.920 -0.229 7.525) 8.994 4.191 ( -3.511 0.194 2.900) 4.558 4.461 ( -2.451 -2.661 -1.620) 3.964 4.874 ( 6.800 -1.039 6.164) 9.236 5.767 ( -7.005 4.625 2.347) 8.717 6.174 ( 4.749 -0.091 2.556) 5.394 6.288 ( 12.198 2.432 1.982) 12.595 6.424 ( 9.056 -3.116 3.258) 10.116 6.863 ( -1.037 1.048 2.238) 2.680 7.028 ( 12.224 -3.480 -6.891) 14.457 7.462 ( 3.501 6.285 -8.031) 10.782 7.579 ( -1.955 -3.231 -14.707) 15.184 7.971 ( 6.649 3.346 4.610) 8.756 8.061 ( 10.380 -3.520 5.047) 12.066 8.578 ( 0.157 -1.083 8.826) 8.894 8.732 ( -4.342 -2.148 0.233) 4.850 9.294 ( -2.129 1.914 3.894) 4.833 9.396 ( -2.840 0.399 2.280) 3.664 9.834 ( 4.235 3.454 -7.756) 9.488 9.968 ( 11.737 -8.999 -6.548) 16.174 10.609 ( -6.686 6.220 2.452) 9.455 11.265 ( 1.391 -0.649 17.689) 17.756 12.159 ( 0.080 8.749 -22.434) 24.080 12.706 ( 0.908 -1.230 -6.903) 7.070 13.603 ( -5.922 -3.132 4.263) 7.940 14.057 ( -7.369 -0.526 -4.965) 8.901 15.002 ( -1.632 0.940 3.766) 4.211 15.148 ( -9.368 -3.146 8.329) 12.924 ======================= Grid point 367 (109/245) ======================= q-point: ( 0.31 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -6.237 6.175 -6.386) 10.853 1.283 ( -11.535 -8.125 -7.675) 16.062 2.220 ( 10.971 -2.336 -2.476) 11.487 2.529 ( 5.978 -3.066 -1.692) 6.928 3.183 ( 5.961 0.902 0.238) 6.033 3.230 ( 3.425 -1.867 -2.977) 4.907 3.731 ( -3.985 3.233 -4.866) 7.072 3.843 ( 3.744 0.506 -5.862) 6.974 4.054 ( 8.387 1.540 5.676) 10.244 4.158 ( 1.614 -0.954 3.926) 4.350 4.518 ( 5.262 -3.468 0.776) 6.349 5.014 ( 6.303 -2.161 7.552) 10.072 5.586 ( -8.811 5.480 2.624) 10.703 6.219 ( 0.407 -3.865 3.660) 5.339 6.443 ( 6.537 4.501 2.268) 8.255 6.599 ( 5.496 -1.293 -0.488) 5.667 6.837 ( -0.138 -1.449 3.742) 4.015 7.185 ( 0.894 3.194 -12.460) 12.894 7.423 ( 2.357 0.467 -10.626) 10.894 7.663 ( 5.227 -0.517 -4.044) 6.629 8.072 ( 5.645 1.810 3.435) 6.852 8.242 ( 5.416 -4.089 3.417) 7.597 8.567 ( -1.443 2.891 4.500) 5.540 8.715 ( 2.021 -3.729 6.388) 7.668 9.116 ( -11.608 0.026 4.386) 12.409 9.365 ( -1.422 -3.156 1.899) 3.948 9.918 ( 5.798 4.966 -4.778) 9.006 10.279 ( 6.272 -3.823 4.031) 8.379 10.492 ( 3.924 1.739 -4.968) 6.565 11.331 ( 5.195 -0.514 15.569) 16.421 12.077 ( -3.732 9.016 -18.313) 20.750 12.702 ( -1.431 -0.458 -8.423) 8.556 13.533 ( -3.315 -3.663 2.874) 5.715 13.921 ( -6.955 -0.375 -4.531) 8.309 14.959 ( -2.022 0.978 4.695) 5.205 15.032 ( -4.993 -2.712 3.764) 6.816 ======================= Grid point 368 (110/245) ======================= q-point: ( 0.38 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -8.398 3.255 -12.242) 15.198 1.212 ( -0.320 -4.080 -10.779) 11.530 2.401 ( 6.860 -0.565 -1.804) 7.116 2.604 ( 0.984 -2.056 -4.803) 5.317 3.227 ( 1.893 0.618 0.473) 2.046 3.353 ( 4.699 0.211 -0.793) 4.770 3.613 ( -4.059 -0.754 -3.089) 5.156 3.835 ( -2.948 2.369 -5.673) 6.818 4.187 ( 5.469 0.489 -0.336) 5.502 4.226 ( 2.088 -0.447 1.639) 2.692 4.638 ( 4.670 -1.845 7.495) 9.021 5.123 ( 3.980 -4.394 6.492) 8.792 5.400 ( -7.110 6.582 3.234) 10.214 6.245 ( 0.386 -3.576 1.999) 4.115 6.512 ( 2.468 1.126 -1.286) 3.002 6.624 ( -1.107 1.036 2.585) 2.997 6.869 ( 0.875 -3.051 0.136) 3.177 7.106 ( -3.030 6.248 -13.030) 14.765 7.513 ( 3.317 -2.443 -10.758) 11.520 7.742 ( 2.666 -0.116 3.654) 4.525 8.138 ( 1.736 1.314 3.036) 3.736 8.325 ( 2.022 -3.915 3.484) 5.618 8.520 ( -0.482 3.994 0.907) 4.123 8.800 ( 3.398 -0.697 6.949) 7.767 8.934 ( -5.997 0.373 5.089) 7.875 9.396 ( 2.099 -6.131 0.429) 6.495 9.986 ( 4.106 3.065 -0.086) 5.124 10.148 ( -10.442 4.122 7.122) 13.295 10.739 ( 10.574 -4.847 -7.053) 13.603 11.446 ( 5.582 -0.662 13.181) 14.330 11.928 ( -7.122 6.641 -14.781) 17.701 12.673 ( -1.627 -0.785 -9.764) 9.930 13.520 ( 0.212 -2.102 2.794) 3.503 13.824 ( -2.809 0.116 -4.874) 5.627 14.932 ( -0.424 0.177 4.591) 4.614 14.980 ( -1.532 -0.825 1.452) 2.266 ======================= Grid point 369 (111/245) ======================= q-point: (-0.54 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 2.338 -2.825 -13.109) 13.612 1.282 ( 6.792 2.152 -11.576) 13.593 2.443 ( -2.359 3.364 -2.196) 4.659 2.621 ( 0.618 -0.851 -5.095) 5.202 3.239 ( -0.626 1.207 1.967) 2.391 3.357 ( -2.155 1.692 -2.360) 3.616 3.630 ( 2.571 -0.402 -1.926) 3.238 3.773 ( -1.775 -2.536 -6.033) 6.781 4.173 ( -5.981 -0.210 -0.465) 6.003 4.239 ( -1.470 0.380 2.898) 3.271 4.675 ( -1.032 1.290 7.300) 7.484 5.194 ( -3.113 -2.591 7.424) 8.457 5.300 ( 3.831 2.323 3.023) 5.405 6.271 ( 0.647 -1.832 1.035) 2.202 6.491 ( -5.476 -2.102 -3.050) 6.611 6.612 ( 1.262 2.631 1.984) 3.529 6.890 ( -0.015 -4.405 -0.298) 4.415 7.048 ( -0.450 3.718 -10.588) 11.231 7.531 ( -2.353 -1.218 -12.379) 12.659 7.750 ( -1.748 0.760 6.120) 6.410 8.118 ( -3.402 -0.140 4.337) 5.513 8.356 ( -0.768 -1.623 5.798) 6.069 8.531 ( 3.790 4.877 -1.649) 6.393 8.776 ( -3.222 -2.226 3.995) 5.594 8.966 ( 7.505 3.186 5.461) 9.813 9.465 ( 1.607 -1.351 0.969) 2.312 9.942 ( -9.242 -0.672 3.838) 10.029 10.067 ( 5.066 -2.130 3.354) 6.439 10.815 ( -4.179 1.313 -6.955) 8.220 11.460 ( -5.909 0.623 10.019) 11.648 11.826 ( 0.066 -1.830 -10.765) 10.920 12.661 ( -0.253 -1.789 -9.872) 10.036 13.559 ( 3.466 1.165 3.387) 4.985 13.827 ( 3.146 0.383 -5.206) 6.095 14.936 ( 0.986 0.514 4.296) 4.438 14.994 ( 2.952 0.392 0.744) 3.070 ======================= Grid point 370 (112/245) ======================= q-point: (-0.46 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 9.574 -3.806 -7.019) 12.466 1.430 ( 10.640 5.106 -10.059) 15.507 2.305 ( -8.819 5.355 -2.888) 10.714 2.606 ( -2.468 3.312 -2.349) 4.751 3.185 ( -6.049 1.132 1.343) 6.299 3.286 ( -2.190 3.603 -2.476) 4.890 3.639 ( -3.582 -4.905 -5.685) 8.320 3.796 ( -0.192 -4.004 -4.520) 6.042 4.047 ( -5.384 1.164 4.679) 7.227 4.170 ( -3.387 0.160 6.524) 7.353 4.613 ( -2.810 4.748 0.275) 5.524 5.070 ( -7.676 2.321 7.831) 11.209 5.454 ( 8.241 -5.488 4.437) 10.850 6.276 ( -1.594 -0.338 -0.121) 1.634 6.355 ( -9.557 -3.454 -0.776) 10.192 6.600 ( -2.477 1.374 -0.657) 2.908 6.910 ( 0.659 2.243 4.102) 4.721 7.053 ( 0.253 -5.815 -10.350) 11.874 7.454 ( -4.898 2.035 -9.453) 10.839 7.686 ( -3.402 1.823 -1.635) 4.192 8.025 ( -6.708 -2.040 5.983) 9.218 8.290 ( -7.312 -0.640 8.081) 10.916 8.587 ( 4.576 4.497 -0.571) 6.441 8.767 ( 1.643 1.740 1.199) 2.676 9.124 ( 10.187 1.016 4.402) 11.144 9.444 ( -3.044 3.429 4.509) 6.431 9.821 ( -5.287 -4.463 -4.121) 8.053 10.205 ( 6.417 -7.435 5.493) 11.253 10.586 ( -15.802 8.181 -8.428) 19.689 11.310 ( -8.001 -3.319 7.929) 11.743 11.891 ( 2.267 -6.333 -7.672) 10.203 12.678 ( 0.549 -2.541 -8.871) 9.244 13.630 ( 5.576 4.626 3.565) 8.075 13.923 ( 6.552 -0.356 -4.438) 7.921 14.966 ( 2.815 1.581 4.199) 5.297 15.079 ( 6.488 1.439 1.126) 6.740 ======================= Grid point 371 (113/245) ======================= q-point: (-0.38 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 7.918 -0.753 -0.986) 8.015 1.599 ( 8.898 4.931 -7.720) 12.770 2.088 ( -9.768 6.829 -1.643) 12.031 2.483 ( -7.432 7.358 2.532) 10.761 3.018 ( -9.154 -0.047 0.213) 9.156 3.216 ( -7.032 1.030 -1.297) 7.224 3.545 ( -7.587 -4.900 -5.369) 10.507 3.711 ( -10.663 -1.098 -2.576) 11.024 4.023 ( 3.905 0.556 8.296) 9.187 4.191 ( 5.010 0.498 4.320) 6.634 4.557 ( 0.964 5.868 -2.671) 6.519 4.907 ( -7.872 1.646 7.035) 10.685 5.625 ( 5.535 -7.705 4.481) 10.492 6.105 ( -15.134 -4.662 -4.370) 16.428 6.283 ( -2.137 -0.534 3.792) 4.385 6.480 ( -8.824 2.784 -1.153) 9.324 6.898 ( -1.528 3.242 3.869) 5.274 7.044 ( -4.328 -2.961 -5.777) 7.802 7.373 ( -2.897 -0.077 -2.865) 4.075 7.635 ( -0.473 2.216 -12.838) 13.036 7.899 ( -8.178 -3.353 6.653) 11.063 8.110 ( -10.510 0.503 7.778) 13.085 8.633 ( 1.773 3.700 3.686) 5.515 8.802 ( 3.589 4.041 -2.210) 5.839 9.249 ( -5.671 -1.444 2.623) 6.413 9.382 ( 4.807 -0.520 2.268) 5.341 9.785 ( -0.845 -2.548 -6.286) 6.835 10.202 ( -12.087 12.619 -6.416) 18.614 10.402 ( 4.968 -11.222 3.056) 12.648 11.232 ( -2.909 -5.710 8.300) 10.486 11.946 ( -0.574 -7.693 -7.993) 11.109 12.694 ( -0.758 -2.650 -7.984) 8.446 13.710 ( 5.862 6.116 3.200) 9.056 14.057 ( 7.049 -1.103 -2.540) 7.573 15.016 ( 3.352 2.685 3.787) 5.726 15.221 ( 10.029 2.813 2.797) 10.784 ======================= Grid point 372 (114/245) ======================= q-point: (-0.31 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 1.877 2.457 3.392) 4.590 1.595 ( -8.157 8.045 -1.542) 11.560 1.968 ( 2.537 4.870 -2.417) 6.000 2.280 ( -8.633 7.815 7.817) 14.025 2.865 ( -9.563 -2.335 0.242) 9.848 3.005 ( -12.811 -1.586 6.402) 14.409 3.387 ( -12.931 1.341 0.164) 13.002 3.500 ( -9.111 0.464 -4.760) 10.290 4.165 ( 10.848 0.758 3.790) 11.516 4.269 ( 2.921 2.018 4.829) 5.993 4.620 ( 7.472 2.005 -1.544) 7.889 4.800 ( -1.642 1.026 2.143) 2.888 5.647 ( -11.996 -9.765 -2.071) 15.606 5.913 ( -3.008 -3.083 2.486) 4.973 6.162 ( -13.495 -4.442 -2.301) 14.392 6.336 ( -1.472 5.983 4.879) 7.859 6.726 ( -12.561 4.386 1.212) 13.360 7.012 ( -1.571 4.020 -1.921) 4.724 7.286 ( -6.073 -1.194 -2.349) 6.620 7.592 ( -8.525 -1.572 -0.510) 8.684 7.798 ( -0.453 -2.760 -2.467) 3.729 7.966 ( -3.623 0.958 1.350) 3.984 8.592 ( -4.561 3.033 6.078) 8.182 8.840 ( 0.954 2.879 -5.050) 5.891 9.043 ( -12.240 -5.149 -4.511) 14.024 9.466 ( -1.604 2.312 -0.457) 2.851 9.802 ( 2.052 -3.289 -3.074) 4.947 10.044 ( 3.074 7.772 -6.840) 10.800 10.587 ( 8.095 -9.767 4.637) 13.507 11.244 ( 0.607 -4.882 8.693) 9.989 11.943 ( -4.591 -8.736 -8.639) 13.116 12.667 ( -3.511 -1.728 -8.043) 8.945 13.780 ( 4.655 4.656 3.339) 7.382 14.188 ( 6.088 -0.945 -0.407) 6.174 15.054 ( 2.457 4.019 3.129) 5.655 15.431 ( 14.500 3.586 4.995) 15.750 ======================= Grid point 373 (115/245) ======================= q-point: (-0.23 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -5.310 4.328 8.099) 10.607 1.331 ( -10.457 12.395 10.633) 19.392 2.012 ( -0.445 2.023 0.409) 2.111 2.140 ( -0.249 5.422 7.233) 9.043 2.614 ( -17.612 -0.834 7.979) 19.353 2.775 ( -14.378 0.594 7.369) 16.168 3.174 ( -5.298 0.234 7.905) 9.519 3.344 ( -6.564 3.105 -5.970) 9.400 4.265 ( -1.008 1.180 1.603) 2.231 4.403 ( 12.461 2.018 -0.682) 12.641 4.683 ( -2.714 -2.051 -2.831) 4.426 4.900 ( 12.359 0.963 -2.005) 12.557 5.473 ( -4.803 -7.215 -0.748) 8.699 5.783 ( -17.317 -5.649 -4.929) 18.870 6.053 ( 2.334 -3.936 5.498) 7.153 6.300 ( -1.054 5.287 5.747) 7.880 6.479 ( -8.671 6.501 3.897) 11.517 6.816 ( -14.044 7.721 -5.020) 16.794 7.214 ( -8.255 -4.561 1.883) 9.618 7.402 ( -4.709 2.354 3.084) 6.101 7.846 ( -0.872 -3.659 -0.264) 3.771 7.958 ( 3.693 0.019 -9.247) 9.957 8.441 ( -9.297 0.665 2.038) 9.541 8.722 ( -12.879 -0.192 -12.709) 18.095 8.950 ( -2.031 -4.180 0.069) 4.647 9.344 ( -5.726 4.321 -4.031) 8.229 9.884 ( 3.329 -2.828 1.377) 4.580 10.159 ( 8.626 -0.507 -5.119) 10.043 10.805 ( 10.625 -5.895 4.115) 12.829 11.286 ( 1.199 -2.836 8.276) 8.830 11.858 ( -9.574 -8.795 -7.207) 14.864 12.578 ( -6.220 0.277 -8.680) 10.682 13.839 ( 3.343 1.140 4.995) 6.118 14.288 ( 4.177 -0.270 0.406) 4.206 15.064 ( 1.298 5.211 3.054) 6.178 15.731 ( 19.192 2.646 5.071) 20.026 ======================= Grid point 374 (116/245) ======================= q-point: (-0.15 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -5.275 6.008 15.692) 17.611 1.171 ( 2.837 9.892 24.662) 26.722 1.884 ( -13.812 -1.801 14.258) 19.932 2.142 ( -2.654 8.917 10.757) 14.222 2.279 ( -7.794 6.050 7.095) 12.153 2.557 ( -8.119 -2.987 2.874) 9.116 3.118 ( -3.584 -2.054 0.716) 4.193 3.276 ( 2.074 5.193 3.699) 6.704 4.164 ( -9.337 -0.666 -1.134) 9.429 4.560 ( 3.876 -1.824 -3.972) 5.842 4.692 ( 6.796 3.648 -6.279) 9.946 5.115 ( 5.727 -2.408 -8.324) 10.386 5.507 ( -6.682 -8.382 -2.507) 11.008 5.626 ( 10.516 -4.759 1.894) 11.697 6.129 ( 0.547 -2.424 4.651) 5.273 6.195 ( -4.419 1.477 5.854) 7.482 6.402 ( 1.616 8.614 4.603) 9.899 6.532 ( -7.241 7.624 -3.032) 10.943 6.983 ( -13.239 -0.862 4.905) 14.145 7.420 ( 3.497 1.493 -2.277) 4.432 7.762 ( -10.892 -2.674 -4.380) 12.040 8.059 ( 4.972 -1.895 -7.442) 9.148 8.277 ( -8.398 -0.996 -3.530) 9.164 8.382 ( -19.578 2.417 -10.881) 22.529 8.950 ( -0.740 -4.811 3.641) 6.079 9.262 ( -1.060 4.080 -0.557) 4.252 9.943 ( 1.275 -3.685 3.987) 5.577 10.308 ( 5.339 -3.139 -5.327) 8.169 11.023 ( 9.316 -1.971 2.661) 9.888 11.309 ( 0.075 -1.057 4.602) 4.722 11.699 ( -10.415 -7.297 1.415) 12.796 12.449 ( -5.972 2.555 -8.525) 10.718 13.894 ( 2.088 -2.294 7.541) 8.154 14.346 ( 2.065 0.585 -0.960) 2.351 15.051 ( 0.388 5.339 3.590) 6.446 16.096 ( 18.547 -0.848 -0.996) 18.593 ======================= Grid point 375 (117/245) ======================= q-point: (-0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.000 6.106 19.712) 20.636 1.282 ( 0.000 4.601 29.762) 30.116 1.617 ( -0.000 -2.854 29.702) 29.839 2.021 ( 0.000 12.886 18.839) 22.824 2.251 ( 0.000 2.184 -6.479) 6.838 2.497 ( -0.000 -2.662 0.786) 2.775 3.084 ( -0.000 -0.760 -0.892) 1.172 3.290 ( 0.000 3.766 7.101) 8.038 4.046 ( -0.000 -0.363 -0.092) 0.374 4.624 ( -0.000 -4.975 -7.163) 8.721 4.762 ( 0.000 5.806 -4.438) 7.308 5.115 ( -0.000 -1.917 -17.330) 17.436 5.544 ( -0.000 -8.106 1.414) 8.228 5.817 ( -0.000 -4.117 -0.931) 4.221 6.062 ( 0.000 1.032 3.167) 3.331 6.219 ( -0.000 -4.781 7.186) 8.631 6.323 ( 0.000 2.659 -1.815) 3.219 6.550 ( 0.000 12.432 -1.907) 12.577 6.841 ( 0.000 0.179 5.111) 5.114 7.494 ( -0.000 -1.958 -7.694) 7.939 7.494 ( 0.000 2.038 -1.006) 2.272 8.105 ( -0.000 -1.384 4.745) 4.942 8.182 ( 0.000 1.702 2.168) 2.756 8.188 ( 0.000 1.104 -15.958) 15.996 8.969 ( -0.000 -4.599 5.330) 7.040 9.236 ( 0.000 3.625 1.202) 3.819 9.975 ( -0.000 -3.672 5.024) 6.223 10.374 ( -0.000 -2.686 -6.014) 6.587 11.124 ( -0.000 -0.131 1.656) 1.661 11.307 ( 0.000 0.099 -1.179) 1.183 11.623 ( -0.000 -6.304 11.207) 12.858 12.368 ( 0.000 3.557 -7.298) 8.119 13.932 ( -0.000 -3.373 9.797) 10.361 14.359 ( 0.000 1.519 -4.028) 4.305 15.028 ( 0.000 3.761 4.267) 5.688 16.314 ( -0.000 -2.918 -8.404) 8.896 ======================= Grid point 378 (118/245) ======================= q-point: ( 0.15 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -2.230 0.000 0.408) 2.267 1.478 ( -11.922 0.000 -5.540) 13.146 1.971 ( 11.955 -0.000 -1.510) 12.050 2.338 ( 10.099 -0.000 2.880) 10.501 3.033 ( 8.250 -0.000 0.903) 8.299 3.194 ( 2.881 -0.000 -5.742) 6.424 3.637 ( 14.157 -0.000 -1.280) 14.214 3.723 ( 11.411 -0.000 -3.644) 11.978 4.012 ( -4.993 0.000 7.515) 9.023 4.192 ( -3.246 0.000 2.333) 3.997 4.446 ( -2.836 0.000 -1.265) 3.105 4.869 ( 6.644 -0.000 5.998) 8.951 5.793 ( -7.176 0.000 1.615) 7.356 6.169 ( 1.301 -0.000 6.062) 6.200 6.310 ( 18.148 -0.000 -2.378) 18.303 6.401 ( 6.417 -0.000 6.118) 8.866 6.874 ( -3.022 0.000 2.733) 4.075 7.004 ( 14.804 -0.000 -8.047) 16.850 7.510 ( 9.641 -0.000 -7.626) 12.292 7.549 ( -7.943 0.000 -15.985) 17.849 7.999 ( 4.006 -0.000 3.938) 5.617 8.032 ( 12.471 -0.000 4.690) 13.323 8.573 ( 1.003 -0.000 10.290) 10.339 8.720 ( -4.803 0.000 0.029) 4.803 9.305 ( -4.427 0.000 4.275) 6.154 9.398 ( -1.822 0.000 2.261) 2.904 9.876 ( 4.434 -0.000 -8.387) 9.487 9.895 ( 12.336 -0.000 -6.059) 13.743 10.643 ( -7.056 0.000 2.050) 7.348 11.261 ( 1.446 -0.000 18.752) 18.808 12.209 ( -0.458 0.000 -25.202) 25.206 12.696 ( 1.183 -0.000 -5.794) 5.914 13.586 ( -5.954 0.000 4.590) 7.518 14.054 ( -7.290 0.000 -5.366) 9.051 15.010 ( -1.231 0.000 2.960) 3.206 15.129 ( -9.456 0.000 9.984) 13.752 ======================= Grid point 379 (119/245) ======================= q-point: ( 0.23 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -2.132 5.494 -6.293) 8.622 1.202 ( -14.982 -6.299 -6.984) 17.690 2.204 ( 11.596 -0.739 -2.612) 11.910 2.506 ( 6.624 -1.159 -1.327) 6.854 3.196 ( 6.562 1.284 -0.113) 6.687 3.213 ( 3.094 -1.483 -3.096) 4.621 3.756 ( -6.849 1.393 -3.864) 7.987 3.843 ( 6.115 -0.250 -6.881) 9.209 4.069 ( 9.781 1.053 8.367) 12.914 4.148 ( 0.039 -0.679 0.521) 0.857 4.492 ( 5.927 -1.272 1.171) 6.174 4.998 ( 5.992 -0.793 7.371) 9.532 5.628 ( -8.999 2.212 1.649) 9.412 6.188 ( 0.466 -1.729 5.712) 5.986 6.489 ( 4.794 3.579 4.558) 7.521 6.571 ( 6.396 -3.003 -1.942) 7.328 6.835 ( 0.181 0.450 3.712) 3.744 7.198 ( 3.421 -0.011 -13.388) 13.818 7.438 ( -0.501 1.436 -13.052) 13.140 7.657 ( 5.558 -0.481 -2.172) 5.987 8.089 ( 5.623 1.205 1.678) 5.990 8.204 ( 4.753 -2.439 2.383) 5.850 8.611 ( 0.429 5.102 6.212) 8.050 8.667 ( 2.497 -5.106 7.736) 9.600 9.117 ( -11.825 0.069 4.355) 12.602 9.341 ( -3.100 -1.206 1.188) 3.533 9.964 ( 4.931 2.869 -4.827) 7.473 10.231 ( 13.688 -3.348 2.084) 14.244 10.515 ( -2.570 1.587 -2.605) 3.989 11.325 ( 5.216 -0.363 16.680) 17.480 12.150 ( -4.728 3.914 -21.294) 22.161 12.694 ( -1.449 -0.655 -7.284) 7.455 13.506 ( -2.765 -1.377 2.956) 4.275 13.917 ( -6.801 -0.190 -4.691) 8.264 14.975 ( -2.092 1.882 3.932) 4.835 15.004 ( -4.401 -2.479 5.311) 7.330 ======================= Grid point 380 (120/245) ======================= q-point: ( 0.31 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -12.359 2.358 -11.617) 17.125 1.172 ( 3.776 -3.091 -10.954) 11.992 2.400 ( 8.752 0.194 -1.778) 8.933 2.582 ( 1.001 -1.733 -4.352) 4.790 3.238 ( 2.439 1.207 -1.401) 3.061 3.351 ( 5.861 -0.534 0.674) 5.924 3.610 ( -5.672 0.071 -2.986) 6.411 3.853 ( -3.492 1.150 -5.492) 6.609 4.191 ( 3.775 0.267 -2.941) 4.793 4.222 ( 3.653 -0.386 3.968) 5.407 4.622 ( 5.830 -1.054 6.978) 9.154 5.087 ( 2.928 -2.429 6.326) 7.382 5.459 ( -6.822 4.105 2.572) 8.367 6.209 ( 0.753 -2.701 3.907) 4.809 6.532 ( 0.899 2.730 -0.204) 2.882 6.611 ( -0.912 -3.271 2.281) 4.091 6.860 ( 1.184 1.005 -0.760) 1.729 7.154 ( -3.750 2.578 -14.872) 15.553 7.496 ( 3.487 -0.373 -10.214) 10.800 7.733 ( 2.197 -1.403 5.010) 5.648 8.160 ( 2.216 2.838 0.957) 3.726 8.279 ( 2.334 -4.482 2.608) 5.686 8.570 ( 0.240 4.636 1.326) 4.828 8.783 ( 2.327 -2.160 9.303) 9.830 8.945 ( -3.199 1.267 5.587) 6.561 9.335 ( 1.377 -4.768 -0.513) 4.989 10.018 ( 2.581 2.520 -1.021) 3.749 10.182 ( -11.245 2.127 8.578) 14.302 10.694 ( 11.871 -3.303 -7.615) 14.485 11.440 ( 5.775 -0.419 13.930) 15.086 11.992 ( -9.345 4.842 -16.748) 19.780 12.661 ( -2.174 -1.179 -8.855) 9.194 13.501 ( 1.408 -1.363 2.769) 3.392 13.826 ( -2.447 0.130 -4.879) 5.460 14.935 ( -0.814 0.345 4.735) 4.817 14.971 ( -0.498 -0.682 1.608) 1.816 ======================= Grid point 381 (121/245) ======================= q-point: (-0.62 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.618 -1.989 -13.316) 13.477 1.298 ( 8.699 1.021 -12.249) 15.059 2.483 ( -0.623 4.141 -2.774) 5.023 2.603 ( 1.728 -2.464 -4.434) 5.359 3.250 ( -0.827 0.807 0.285) 1.190 3.386 ( -0.552 3.420 -0.972) 3.598 3.612 ( 3.149 -2.768 -2.045) 4.665 3.755 ( -5.483 -0.861 -5.271) 7.654 4.178 ( -4.587 1.104 -1.262) 4.884 4.238 ( -2.320 -0.748 4.259) 4.907 4.686 ( 0.727 0.822 6.430) 6.523 5.148 ( 0.554 -4.578 6.573) 8.029 5.348 ( -1.139 4.967 3.802) 6.358 6.245 ( 1.292 -2.590 2.167) 3.616 6.466 ( -7.116 -2.473 -1.545) 7.691 6.642 ( 2.606 2.125 0.114) 3.364 6.857 ( -0.313 -1.142 -3.009) 3.233 7.081 ( -3.009 1.723 -9.967) 10.553 7.523 ( -0.662 0.087 -11.700) 11.719 7.747 ( -1.692 -1.451 8.152) 8.451 8.132 ( -3.406 3.018 3.203) 5.565 8.325 ( -0.780 -4.044 5.801) 7.115 8.590 ( 4.310 5.773 -2.145) 7.517 8.750 ( -2.133 -2.601 3.821) 5.091 9.007 ( 7.455 4.340 6.653) 10.893 9.427 ( 4.135 -5.289 0.385) 6.725 9.943 ( -12.055 0.539 6.240) 13.586 10.056 ( 2.565 -0.163 1.426) 2.939 10.817 ( -0.749 -0.626 -7.385) 7.449 11.466 ( -6.113 0.481 8.625) 10.582 11.821 ( -3.639 0.516 -9.861) 10.523 12.640 ( -0.791 -1.980 -9.149) 9.394 13.567 ( 5.114 0.442 3.850) 6.417 13.831 ( 2.985 0.442 -5.461) 6.240 14.942 ( 1.652 0.562 4.188) 4.537 14.996 ( 3.177 0.131 0.371) 3.202 ======================= Grid point 382 (122/245) ======================= q-point: (-0.54 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 10.753 -2.644 -7.422) 13.331 1.473 ( 10.707 3.081 -11.117) 15.740 2.363 ( -7.931 5.441 -4.120) 10.464 2.633 ( -0.112 1.873 -1.670) 2.512 3.201 ( -5.040 1.777 1.080) 5.452 3.328 ( -2.982 3.985 -1.755) 5.278 3.593 ( -6.057 -3.414 -5.546) 8.894 3.745 ( 0.111 -5.588 -4.128) 6.949 4.065 ( -4.955 2.090 7.320) 9.083 4.170 ( -2.882 -0.138 4.446) 5.300 4.660 ( -1.353 3.975 0.069) 4.199 5.084 ( -7.490 0.127 7.656) 10.711 5.411 ( 6.545 -2.513 5.107) 8.674 6.258 ( -4.013 -2.333 -0.124) 4.643 6.321 ( -7.598 -3.348 -1.187) 8.388 6.629 ( -2.492 3.956 -2.370) 5.242 6.899 ( 1.931 -3.896 -0.383) 4.365 7.022 ( -1.913 -0.410 -6.307) 6.603 7.480 ( -2.982 3.123 -9.394) 10.339 7.697 ( -3.360 -0.368 2.218) 4.043 8.018 ( -7.036 1.171 5.377) 8.933 8.266 ( -7.781 -3.917 9.264) 12.716 8.643 ( 4.304 5.688 -1.274) 7.245 8.782 ( 3.817 0.977 -1.539) 4.230 9.142 ( 9.026 2.500 5.031) 10.632 9.471 ( -2.520 1.501 4.672) 5.516 9.769 ( -6.410 -5.357 -1.537) 8.494 10.138 ( 4.961 -4.806 3.450) 7.720 10.669 ( -12.510 7.259 -8.686) 16.872 11.263 ( -12.218 -5.178 1.897) 13.405 11.844 ( 2.547 -2.599 -1.410) 3.903 12.649 ( 0.109 -2.763 -8.268) 8.718 13.674 ( 7.036 3.605 4.817) 9.258 13.917 ( 5.603 -0.738 -5.028) 7.564 14.987 ( 3.813 2.169 3.980) 5.924 15.089 ( 6.778 0.487 -0.264) 6.801 ======================= Grid point 383 (123/245) ======================= q-point: (-0.46 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 9.805 -0.485 -1.589) 9.945 1.646 ( 8.703 3.742 -8.726) 12.880 2.164 ( -8.785 7.270 -2.346) 11.642 2.558 ( -5.738 6.549 2.517) 9.064 3.023 ( -10.708 1.186 0.073) 10.774 3.221 ( -9.884 -0.499 1.121) 9.960 3.502 ( -4.515 -2.651 -6.216) 8.128 3.691 ( -8.701 -2.773 -3.133) 9.655 4.028 ( 3.085 0.407 9.336) 9.841 4.200 ( 5.664 1.201 3.891) 6.976 4.621 ( 0.816 5.998 -2.843) 6.688 4.922 ( -8.427 1.074 7.276) 11.185 5.545 ( 3.630 -7.359 5.121) 9.672 6.061 ( -14.059 -3.574 -4.172) 15.094 6.269 ( -4.073 -1.806 1.017) 4.570 6.511 ( -7.453 3.017 -2.559) 8.438 6.907 ( -2.497 -2.792 0.032) 3.746 7.026 ( 0.266 1.274 -0.532) 1.406 7.392 ( -3.591 3.219 -1.447) 5.035 7.649 ( -2.187 -0.050 -8.865) 9.131 7.873 ( -7.935 -0.903 5.910) 9.935 8.103 ( -9.978 -1.865 8.535) 13.262 8.673 ( 1.049 3.803 2.456) 4.647 8.845 ( 3.961 3.963 -5.182) 7.632 9.242 ( -6.979 0.157 2.551) 7.433 9.382 ( 3.841 0.659 2.501) 4.631 9.744 ( -1.381 -5.627 -4.114) 7.106 10.287 ( 6.488 -7.524 4.720) 10.999 10.348 ( -12.503 12.438 -9.385) 19.977 11.142 ( -5.212 -11.032 1.030) 12.245 11.891 ( 0.511 -2.742 0.741) 2.886 12.659 ( -1.099 -3.535 -7.449) 8.318 13.775 ( 6.072 5.964 3.584) 9.235 14.038 ( 6.218 -2.536 -1.678) 6.921 15.053 ( 4.720 4.135 3.431) 7.152 15.243 ( 10.240 1.321 0.057) 10.325 ======================= Grid point 384 (124/245) ======================= q-point: (-0.38 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 3.526 2.481 1.852) 4.693 1.682 ( -3.834 8.111 -2.235) 9.245 2.026 ( 0.031 5.993 -2.874) 6.647 2.365 ( -9.325 8.099 7.671) 14.539 2.837 ( -11.240 -3.022 -0.004) 11.639 2.988 ( -12.374 -1.759 8.568) 15.153 3.395 ( -10.409 0.622 -4.978) 11.555 3.509 ( -8.451 0.923 -1.148) 8.578 4.173 ( 11.584 0.694 3.538) 12.132 4.293 ( 3.803 2.457 5.989) 7.508 4.649 ( 4.340 3.572 -1.841) 5.915 4.809 ( -1.367 0.580 2.346) 2.776 5.537 ( -11.441 -10.780 -1.225) 15.767 5.893 ( -2.780 -0.799 1.353) 3.194 6.104 ( -15.071 -5.943 -4.080) 16.706 6.398 ( -1.327 5.350 3.374) 6.463 6.778 ( -10.600 4.820 2.632) 11.938 7.031 ( 0.102 -0.154 -0.665) 0.691 7.298 ( -5.996 3.293 -0.294) 6.847 7.567 ( -8.799 -3.019 1.964) 9.508 7.773 ( -1.510 -1.785 -2.054) 3.112 7.972 ( -3.599 0.210 0.849) 3.704 8.623 ( -5.363 2.455 5.409) 8.003 8.871 ( -0.720 3.060 -6.935) 7.614 9.007 ( -11.632 -1.568 -5.875) 13.125 9.474 ( -1.146 -0.797 -0.569) 1.507 9.758 ( 1.800 -5.032 -0.955) 5.429 10.133 ( -1.789 8.530 -7.504) 11.501 10.499 ( 10.832 -6.032 4.520) 13.196 11.160 ( -0.002 -10.937 1.441) 11.031 11.882 ( -3.261 -2.820 1.486) 4.560 12.636 ( -3.622 -3.814 -7.523) 9.179 13.833 ( 3.487 5.272 1.662) 6.536 14.166 ( 5.597 -3.056 3.069) 7.077 15.110 ( 4.186 6.392 2.682) 8.098 15.462 ( 14.168 1.985 0.739) 14.325 ======================= Grid point 385 (125/245) ======================= q-point: (-0.31 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -3.474 5.848 5.498) 8.746 1.477 ( -8.365 14.684 8.800) 19.053 2.039 ( -0.385 2.737 -2.034) 3.431 2.196 ( -2.732 5.272 8.133) 10.070 2.593 ( -14.796 -3.195 5.411) 16.075 2.788 ( -12.952 1.573 9.875) 16.363 3.178 ( -7.778 0.734 4.257) 8.897 3.377 ( -4.958 2.800 -2.742) 6.319 4.286 ( -1.786 2.794 2.927) 4.423 4.423 ( 12.593 1.663 -0.391) 12.708 4.664 ( -1.993 -1.412 -2.951) 3.831 4.907 ( 10.039 0.359 -2.110) 10.265 5.391 ( -3.851 -8.000 -1.207) 8.961 5.720 ( -18.665 -6.060 -6.335) 20.621 6.017 ( 3.743 -2.803 5.571) 7.274 6.358 ( -1.835 5.568 5.225) 7.853 6.550 ( -7.554 6.638 4.790) 11.139 6.891 ( -13.922 5.466 -2.429) 15.153 7.180 ( -7.567 -1.371 0.991) 7.754 7.420 ( -3.479 0.962 4.207) 5.543 7.800 ( -0.767 -4.961 0.083) 5.020 7.956 ( 1.915 -0.442 -7.665) 7.913 8.450 ( -10.516 0.964 1.888) 10.727 8.722 ( -12.648 0.305 -12.276) 17.628 8.919 ( -2.193 -1.814 -2.286) 3.651 9.368 ( -6.485 -0.178 -4.339) 7.805 9.851 ( 3.483 -3.122 2.642) 5.372 10.159 ( 5.526 0.599 -5.191) 7.605 10.753 ( 13.277 -3.524 4.307) 14.397 11.229 ( 1.508 -7.811 2.168) 8.246 11.794 ( -7.810 -3.035 2.624) 8.780 12.563 ( -6.061 -3.071 -8.623) 10.978 13.859 ( 1.751 2.621 1.959) 3.711 14.270 ( 3.566 -3.131 5.803) 7.496 15.138 ( 2.973 8.517 2.465) 9.352 15.752 ( 17.590 1.223 0.030) 17.633 ======================= Grid point 386 (126/245) ======================= q-point: (-0.23 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -3.020 8.610 12.920) 15.817 1.302 ( 0.707 14.549 19.542) 24.373 1.888 ( -14.138 2.390 10.660) 17.867 2.205 ( 2.758 3.326 1.036) 4.443 2.358 ( -8.074 7.082 12.405) 16.408 2.527 ( -10.450 -1.439 6.782) 12.540 3.099 ( -2.927 -1.565 1.439) 3.618 3.327 ( 1.693 4.173 2.008) 4.930 4.158 ( -9.823 -0.287 -0.690) 9.852 4.551 ( 2.132 0.204 -3.634) 4.218 4.722 ( 8.703 1.896 -5.766) 10.611 5.085 ( 4.810 -3.132 -7.174) 9.187 5.413 ( -7.704 -8.731 -3.154) 12.064 5.570 ( 9.753 -5.575 1.347) 11.314 6.112 ( 3.665 -0.697 5.801) 6.897 6.222 ( -7.241 3.299 5.246) 9.531 6.485 ( -1.833 6.971 2.491) 7.627 6.612 ( -4.545 6.678 1.134) 8.157 6.978 ( -11.498 0.213 3.646) 12.064 7.437 ( 2.964 1.467 -1.888) 3.808 7.722 ( -10.937 -4.726 -3.336) 12.373 8.036 ( 4.511 -2.162 -4.477) 6.713 8.271 ( -7.974 -0.016 -3.502) 8.709 8.411 ( -17.007 2.939 -10.482) 20.193 8.901 ( -1.346 -4.286 1.590) 4.766 9.293 ( -1.557 1.319 -1.959) 2.828 9.902 ( 0.666 -3.383 4.317) 5.525 10.274 ( 4.851 -3.022 -4.682) 7.389 11.005 ( 11.040 -1.300 3.135) 11.550 11.285 ( 1.188 -3.503 1.896) 4.157 11.639 ( -9.464 -3.531 7.295) 12.460 12.457 ( -5.717 -1.216 -9.820) 11.428 13.878 ( 0.995 -0.454 3.932) 4.082 14.333 ( 1.570 -2.957 5.783) 6.682 15.131 ( 1.417 9.592 2.745) 10.077 16.080 ( 15.679 -2.196 -4.267) 16.397 ======================= Grid point 387 (127/245) ======================= q-point: (-0.15 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.000 10.064 16.186) 19.059 1.352 ( 0.000 8.534 27.373) 28.672 1.616 ( 0.000 3.081 20.840) 21.066 2.172 ( 0.000 14.045 13.851) 19.726 2.277 ( 0.000 2.968 -0.655) 3.039 2.455 ( -0.000 -5.265 1.867) 5.586 3.075 ( -0.000 -0.861 -0.216) 0.888 3.337 ( 0.000 4.446 4.306) 6.190 4.041 ( -0.000 -0.623 -0.704) 0.940 4.584 ( -0.000 -2.331 -5.136) 5.640 4.815 ( 0.000 4.026 -5.015) 6.432 5.087 ( -0.000 -3.190 -16.867) 17.166 5.435 ( -0.000 -11.459 2.615) 11.754 5.764 ( -0.000 -5.392 -0.555) 5.420 6.078 ( 0.000 1.976 3.631) 4.134 6.193 ( -0.000 -0.407 7.683) 7.694 6.360 ( 0.000 4.101 -1.848) 4.499 6.667 ( 0.000 8.701 1.265) 8.793 6.846 ( 0.000 0.955 4.239) 4.346 7.463 ( -0.000 -3.883 -7.515) 8.459 7.526 ( 0.000 3.908 -0.690) 3.969 8.089 ( -0.000 -1.431 5.056) 5.254 8.203 ( 0.000 2.024 1.862) 2.750 8.205 ( 0.000 1.988 -16.432) 16.552 8.915 ( -0.000 -5.321 3.683) 6.472 9.272 ( 0.000 2.580 -0.151) 2.584 9.928 ( -0.000 -4.536 5.248) 6.937 10.341 ( -0.000 -3.436 -5.012) 6.077 11.122 ( -0.000 -0.228 1.687) 1.703 11.309 ( 0.000 0.171 -1.202) 1.215 11.553 ( -0.000 -5.979 13.983) 15.207 12.396 ( 0.000 1.079 -9.757) 9.816 13.898 ( -0.000 -2.507 6.004) 6.506 14.361 ( -0.000 -1.706 3.304) 3.719 15.094 ( 0.000 8.622 3.127) 9.171 16.272 ( -0.000 -4.855 -8.756) 10.012 ======================= Grid point 392 (128/245) ======================= q-point: ( 0.23 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -14.497 0.000 -11.285) 18.372 1.154 ( 5.962 -0.000 -11.138) 12.633 2.401 ( 9.574 -0.000 -1.776) 9.738 2.572 ( 0.841 -0.000 -4.162) 4.247 3.246 ( 2.663 -0.000 -2.407) 3.589 3.347 ( 6.215 -0.000 1.436) 6.379 3.611 ( -6.288 0.000 -2.789) 6.879 3.859 ( -3.577 0.000 -5.464) 6.530 4.192 ( 3.141 -0.000 -5.157) 6.038 4.219 ( 4.224 -0.000 6.123) 7.438 4.616 ( 6.256 -0.000 6.707) 9.172 5.073 ( 2.551 -0.000 6.273) 6.772 5.481 ( -6.734 0.000 2.185) 7.079 6.194 ( 0.909 -0.000 4.836) 4.921 6.568 ( -4.263 0.000 -0.457) 4.287 6.570 ( 3.739 -0.000 2.412) 4.449 6.870 ( 1.429 -0.000 -0.252) 1.451 7.166 ( -4.078 0.000 -16.256) 16.760 7.497 ( 3.532 -0.000 -10.470) 11.049 7.723 ( 1.829 -0.000 6.235) 6.498 8.184 ( 3.103 -0.000 -0.484) 3.140 8.247 ( 1.959 -0.000 2.911) 3.509 8.599 ( 0.112 -0.000 0.728) 0.736 8.768 ( 2.219 -0.000 10.848) 11.072 8.953 ( -1.839 0.000 6.056) 6.329 9.308 ( 0.687 -0.000 -1.106) 1.302 10.032 ( 1.948 -0.000 -1.428) 2.415 10.193 ( -11.257 0.000 9.297) 14.600 10.676 ( 12.163 -0.000 -7.933) 14.522 11.437 ( 5.887 -0.000 14.157) 15.333 12.019 ( -10.191 0.000 -17.624) 20.359 12.654 ( -2.296 0.000 -8.317) 8.628 13.493 ( 1.833 -0.000 2.777) 3.328 13.826 ( -2.289 0.000 -4.896) 5.405 14.937 ( -1.213 0.000 4.860) 5.009 14.967 ( 0.129 -0.000 1.586) 1.592 ======================= Grid point 393 (129/245) ======================= q-point: (-0.69 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -0.251 -0.727 -13.417) 13.439 1.305 ( 9.679 0.278 -12.691) 15.963 2.527 ( -0.470 4.005 -4.072) 5.731 2.571 ( 3.250 -3.413 -3.010) 5.593 3.256 ( -1.404 0.278 -1.028) 1.762 3.419 ( 1.432 2.217 0.402) 2.670 3.582 ( 2.374 -2.089 -2.727) 4.176 3.751 ( -7.347 -0.092 -4.471) 8.601 4.194 ( -2.931 1.677 -3.764) 5.057 4.224 ( -3.417 -1.495 7.130) 8.047 4.692 ( 1.787 0.335 5.687) 5.970 5.112 ( 0.826 -1.850 6.442) 6.753 5.387 ( -2.293 2.094 3.830) 4.931 6.224 ( 1.825 -1.092 3.270) 3.901 6.445 ( -8.638 -1.171 -0.803) 8.754 6.653 ( 4.699 0.265 -1.425) 4.918 6.861 ( -1.546 0.980 -2.645) 3.216 7.085 ( -4.453 -0.303 -11.733) 12.553 7.532 ( 0.694 0.964 -11.807) 11.866 7.727 ( -1.946 -1.547 10.238) 10.536 8.173 ( -2.996 3.667 2.272) 5.252 8.279 ( -1.147 -3.802 5.945) 7.149 8.642 ( 4.914 3.469 -3.602) 7.011 8.723 ( -1.986 -2.155 4.937) 5.742 9.048 ( 7.881 2.667 8.487) 11.885 9.374 ( 4.929 -3.427 -0.841) 6.062 9.949 ( -13.589 0.415 7.677) 15.613 10.057 ( 1.419 0.207 0.350) 1.476 10.810 ( 1.194 -0.561 -7.758) 7.870 11.469 ( -6.086 0.186 8.007) 10.059 11.829 ( -5.974 0.569 -9.749) 11.448 12.624 ( -0.937 -0.874 -8.525) 8.620 13.569 ( 6.045 0.085 4.146) 7.331 13.835 ( 2.839 0.192 -5.616) 6.296 14.946 ( 2.161 0.251 4.167) 4.701 14.997 ( 3.183 0.010 0.108) 3.185 ======================= Grid point 394 (130/245) ======================= q-point: (-0.62 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 11.570 -1.384 -7.738) 13.988 1.496 ( 10.803 1.392 -11.786) 16.048 2.413 ( -7.532 3.628 -5.927) 10.248 2.646 ( 1.833 0.547 -0.167) 1.920 3.219 ( -2.968 1.479 0.531) 3.359 3.362 ( -6.656 2.059 -1.470) 7.121 3.579 ( -5.249 1.131 -4.971) 7.317 3.681 ( -0.384 -6.398 -3.891) 7.498 4.087 ( -6.113 1.735 12.164) 13.724 4.167 ( -1.200 -0.296 -0.021) 1.236 4.695 ( -0.125 2.477 -0.349) 2.504 5.076 ( -6.196 -1.365 7.506) 9.829 5.399 ( 3.770 -0.097 5.702) 6.836 6.240 ( -6.219 -0.625 -0.565) 6.276 6.283 ( -4.822 -3.590 -0.044) 6.012 6.675 ( -2.808 4.241 -4.709) 6.931 6.851 ( -0.208 -4.251 -2.959) 5.184 7.023 ( -0.669 0.130 -4.337) 4.390 7.521 ( -0.874 4.296 -10.182) 11.085 7.675 ( -4.229 -3.365 6.496) 8.450 8.052 ( -7.021 4.735 4.497) 9.588 8.213 ( -8.080 -5.690 9.655) 13.816 8.700 ( 3.530 4.692 -0.105) 5.872 8.785 ( 5.612 -0.629 -4.672) 7.330 9.175 ( 7.698 3.300 6.585) 10.654 9.473 ( 1.590 -0.926 2.488) 3.094 9.716 ( -10.417 -3.948 2.561) 11.431 10.105 ( 3.739 -1.627 1.439) 4.324 10.733 ( -7.838 4.455 -8.755) 12.567 11.211 ( -17.470 -4.083 -2.711) 18.145 11.829 ( 2.958 -0.532 2.792) 4.102 12.624 ( -0.137 -1.783 -7.685) 7.890 13.704 ( 8.409 2.005 6.339) 10.720 13.909 ( 4.461 -0.629 -6.012) 7.513 15.009 ( 4.815 1.724 4.282) 6.670 15.090 ( 6.716 -0.171 -1.685) 6.926 ======================= Grid point 395 (131/245) ======================= q-point: (-0.54 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 11.126 -0.275 -2.060) 11.318 1.677 ( 8.937 2.258 -9.416) 13.177 2.235 ( -8.142 5.706 -3.390) 10.504 2.616 ( -3.974 4.235 2.681) 6.396 3.044 ( -13.002 2.738 -0.140) 13.288 3.200 ( -11.699 -3.499 2.791) 12.525 3.498 ( -2.499 1.953 -6.167) 6.934 3.652 ( -6.588 -4.499 -3.629) 8.764 4.032 ( 2.535 0.211 10.365) 10.673 4.214 ( 5.916 1.316 3.118) 6.816 4.680 ( 1.135 4.929 -3.012) 5.887 4.929 ( -8.549 0.184 7.242) 11.205 5.475 ( 1.053 -5.573 5.735) 8.066 6.031 ( -12.213 -1.963 -3.820) 12.946 6.249 ( -5.439 -1.769 -0.269) 5.726 6.541 ( -7.517 2.419 -4.622) 9.150 6.857 ( -1.216 -5.181 -2.578) 5.913 7.059 ( 2.436 3.545 3.138) 5.325 7.436 ( -4.380 5.003 -0.085) 6.650 7.626 ( -4.192 -4.283 -3.978) 7.194 7.888 ( -7.340 3.466 3.719) 8.928 8.071 ( -8.773 -4.032 8.347) 12.763 8.710 ( -0.602 3.081 2.148) 3.804 8.881 ( 4.692 2.581 -8.143) 9.746 9.251 ( -6.247 1.290 2.846) 6.985 9.402 ( 1.617 3.466 2.704) 4.684 9.664 ( -2.077 -9.244 -1.249) 9.557 10.218 ( 5.824 -4.588 2.044) 7.690 10.494 ( -9.710 14.313 -8.620) 19.325 11.007 ( -8.124 -13.964 -4.388) 16.740 11.880 ( 1.615 0.048 6.840) 7.028 12.624 ( -1.489 -2.945 -6.935) 7.680 13.835 ( 6.737 5.265 5.130) 9.971 14.005 ( 4.950 -3.447 -2.161) 6.407 15.098 ( 6.072 4.096 3.976) 8.334 15.249 ( 10.165 -0.133 -2.791) 10.543 ======================= Grid point 396 (132/245) ======================= q-point: (-0.46 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 5.188 2.010 0.685) 5.606 1.760 ( 0.470 6.289 -3.469) 7.198 2.089 ( -2.662 5.632 -2.599) 6.750 2.447 ( -9.934 7.114 7.200) 14.182 2.804 ( -12.932 -2.900 -0.064) 13.254 2.966 ( -12.272 -2.488 9.904) 15.965 3.406 ( -8.503 1.621 -6.503) 10.827 3.514 ( -7.455 -0.103 -0.445) 7.469 4.179 ( 12.161 0.476 3.384) 12.632 4.319 ( 4.757 2.307 6.910) 8.701 4.694 ( 1.950 4.664 -1.946) 5.417 4.812 ( -1.494 -0.061 2.342) 2.778 5.426 ( -10.957 -9.801 -0.494) 14.709 5.893 ( -2.314 0.694 0.752) 2.530 6.043 ( -16.443 -5.282 -5.275) 18.058 6.446 ( -1.059 3.586 1.928) 4.207 6.819 ( -6.668 2.531 1.872) 7.374 7.026 ( -2.561 0.077 2.199) 3.376 7.342 ( -4.738 4.244 1.810) 6.614 7.531 ( -7.529 -3.646 3.740) 9.164 7.763 ( -4.322 -0.280 -1.336) 4.533 7.970 ( -2.930 -0.554 -0.139) 2.985 8.640 ( -6.395 0.680 3.858) 7.500 8.907 ( -2.257 3.767 -8.448) 9.521 9.008 ( -10.751 1.422 -6.019) 12.403 9.450 ( -3.847 -3.526 -1.014) 5.316 9.701 ( 3.962 -5.412 1.630) 6.903 10.209 ( -4.584 5.098 -6.316) 9.322 10.478 ( 12.222 2.842 1.644) 12.655 11.022 ( 0.184 -14.638 -3.368) 15.021 11.875 ( -2.071 0.906 8.563) 8.857 12.593 ( -3.956 -4.124 -6.958) 9.004 13.890 ( 2.540 5.315 0.231) 5.896 14.126 ( 5.132 -4.376 5.939) 8.987 15.182 ( 5.791 6.854 3.441) 9.610 15.472 ( 13.673 0.049 -3.487) 14.111 ======================= Grid point 397 (133/245) ======================= q-point: (-0.38 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -1.134 5.996 3.073) 6.833 1.632 ( -5.915 14.295 6.812) 16.904 2.062 ( -1.295 1.333 -2.306) 2.962 2.253 ( -4.977 5.305 7.809) 10.672 2.554 ( -14.378 -3.664 4.613) 15.538 2.797 ( -9.618 -0.407 10.440) 14.201 3.194 ( -9.454 2.443 0.649) 9.786 3.400 ( -4.414 1.437 0.634) 4.685 4.322 ( -2.485 3.875 4.230) 6.251 4.436 ( 12.676 0.721 -0.068) 12.696 4.656 ( -2.612 -0.091 -3.246) 4.168 4.906 ( 8.423 -0.560 -1.924) 8.658 5.309 ( -1.739 -7.152 -1.417) 7.495 5.658 ( -20.067 -5.548 -7.550) 22.147 5.996 ( 5.501 -1.097 5.773) 8.050 6.414 ( -2.045 4.714 4.543) 6.859 6.616 ( -8.088 5.983 5.439) 11.437 6.915 ( -12.654 -1.071 0.768) 12.723 7.198 ( -7.598 4.837 -0.409) 9.016 7.425 ( -2.174 0.269 4.970) 5.431 7.741 ( -2.202 -6.169 0.782) 6.597 7.950 ( 0.705 -0.644 -6.080) 6.154 8.459 ( -10.897 0.856 0.539) 10.944 8.734 ( -11.694 2.134 -10.431) 15.815 8.907 ( -4.030 -0.749 -4.454) 6.053 9.341 ( -6.637 -4.539 -4.574) 9.251 9.823 ( 4.775 -2.023 3.248) 6.119 10.172 ( 2.439 1.770 -5.437) 6.216 10.735 ( 14.887 0.123 3.197) 15.227 11.128 ( 3.211 -10.769 -1.549) 11.343 11.787 ( -6.676 1.258 9.270) 11.493 12.520 ( -6.190 -4.708 -8.024) 11.174 13.892 ( 0.542 3.447 -0.632) 3.546 14.227 ( 2.979 -4.610 9.983) 11.392 15.236 ( 4.461 9.534 3.343) 11.044 15.755 ( 15.952 -0.754 -4.792) 16.673 ======================= Grid point 398 (134/245) ======================= q-point: (-0.31 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -1.121 9.787 9.234) 13.502 1.468 ( -0.694 16.359 15.118) 22.286 1.925 ( -12.329 3.971 7.793) 15.116 2.225 ( 1.815 0.987 -0.498) 2.125 2.373 ( -5.659 -4.133 6.396) 9.488 2.562 ( -11.210 7.353 14.155) 19.496 3.086 ( -2.786 -0.753 0.403) 2.914 3.360 ( 1.193 1.940 3.064) 3.817 4.159 ( -10.995 0.392 -0.519) 11.014 4.562 ( 1.896 1.624 -2.678) 3.661 4.729 ( 9.096 -0.641 -5.424) 10.610 5.054 ( 3.954 -2.339 -6.252) 7.758 5.332 ( -8.524 -6.286 -3.837) 11.265 5.510 ( 10.206 -5.805 1.038) 11.787 6.114 ( 5.657 0.851 6.185) 8.424 6.260 ( -8.987 3.629 5.309) 11.051 6.546 ( -3.932 4.400 2.062) 6.251 6.663 ( -4.502 2.937 4.476) 6.995 6.995 ( -10.001 3.451 1.660) 10.709 7.445 ( 1.032 -0.197 -2.144) 2.387 7.666 ( -8.564 -5.598 -1.171) 10.298 8.016 ( 4.618 -1.642 -1.729) 5.197 8.278 ( -7.270 1.359 -3.715) 8.277 8.442 ( -15.956 2.662 -9.237) 18.628 8.861 ( -1.910 -3.160 -0.627) 3.745 9.287 ( -1.549 -2.113 -3.725) 4.554 9.880 ( 1.027 -0.768 3.678) 3.895 10.245 ( 3.854 -2.546 -4.837) 6.688 10.998 ( 11.912 -0.053 2.884) 12.257 11.238 ( 3.905 -5.122 0.475) 6.458 11.625 ( -9.423 0.464 10.946) 14.450 12.426 ( -5.676 -4.331 -9.757) 12.090 13.884 ( 0.145 1.392 0.869) 1.648 14.289 ( 1.069 -5.020 10.782) 11.941 15.245 ( 2.347 11.418 3.442) 12.155 16.049 ( 13.002 -3.642 -7.682) 15.535 ======================= Grid point 399 (135/245) ======================= q-point: (-0.23 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.000 11.842 12.447) 17.181 1.459 ( 0.000 11.415 24.062) 26.632 1.678 ( 0.000 8.143 11.924) 14.439 2.248 ( 0.000 0.372 -3.069) 3.091 2.368 ( 0.000 13.821 17.150) 22.025 2.386 ( -0.000 -7.721 3.583) 8.512 3.066 ( -0.000 -0.834 -0.779) 1.141 3.375 ( 0.000 2.535 3.663) 4.455 4.034 ( -0.000 -0.720 -1.553) 1.711 4.575 ( 0.000 0.636 -3.420) 3.478 4.842 ( 0.000 0.710 -5.050) 5.099 5.051 ( -0.000 -3.557 -16.315) 16.698 5.324 ( -0.000 -8.539 3.849) 9.366 5.705 ( -0.000 -5.716 -0.284) 5.723 6.103 ( 0.000 2.652 4.322) 5.071 6.202 ( 0.000 1.615 7.858) 8.022 6.403 ( 0.000 3.706 -1.498) 3.998 6.727 ( 0.000 2.822 5.538) 6.216 6.865 ( 0.000 2.791 2.606) 3.818 7.412 ( -0.000 -5.686 -7.161) 9.143 7.574 ( 0.000 5.015 -0.244) 5.021 8.076 ( -0.000 -1.062 5.354) 5.458 8.223 ( 0.000 1.818 1.533) 2.378 8.228 ( 0.000 2.222 -15.786) 15.942 8.863 ( -0.000 -4.176 1.349) 4.389 9.283 ( -0.000 -0.545 -2.215) 2.281 9.892 ( -0.000 -1.778 4.410) 4.755 10.303 ( -0.000 -3.621 -4.837) 6.043 11.119 ( -0.000 -0.269 1.730) 1.751 11.311 ( 0.000 0.201 -1.234) 1.251 11.506 ( -0.000 -2.927 15.622) 15.894 12.386 ( -0.000 -2.978 -10.593) 11.004 13.883 ( -0.000 -0.208 2.638) 2.646 14.325 ( -0.000 -4.749 9.357) 10.493 15.204 ( 0.000 11.706 3.176) 12.129 16.214 ( -0.000 -5.921 -9.893) 11.530 ======================= Grid point 406 (136/245) ======================= q-point: (-0.69 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 11.867 -0.000 -7.859) 14.233 1.503 ( 10.845 -0.000 -12.010) 16.182 2.433 ( -7.498 0.000 -6.954) 10.226 2.648 ( 2.642 -0.000 0.780) 2.754 3.228 ( -1.606 0.000 0.259) 1.627 3.371 ( -9.721 0.000 -1.636) 9.858 3.614 ( -5.124 0.000 -4.684) 6.942 3.618 ( 0.767 -0.000 -3.586) 3.667 4.097 ( -7.298 0.000 15.587) 17.211 4.165 ( 0.135 -0.000 -3.308) 3.311 4.708 ( 0.387 -0.000 -0.626) 0.736 5.066 ( -5.535 0.000 7.529) 9.345 5.400 ( 2.443 -0.000 5.931) 6.415 6.244 ( -12.012 0.000 -2.740) 12.321 6.256 ( 1.336 -0.000 2.485) 2.821 6.703 ( -2.533 0.000 -6.107) 6.612 6.824 ( -1.929 0.000 -2.964) 3.537 7.024 ( 0.330 -0.000 -4.165) 4.178 7.552 ( 1.008 -0.000 -13.752) 13.789 7.648 ( -5.776 0.000 11.296) 12.688 8.092 ( -6.561 0.000 3.004) 7.215 8.168 ( -8.591 0.000 10.970) 13.934 8.730 ( 2.281 -0.000 3.082) 3.834 8.776 ( 7.186 -0.000 -8.520) 11.146 9.196 ( 6.892 -0.000 7.793) 10.403 9.464 ( 4.695 -0.000 0.425) 4.714 9.695 ( -13.204 0.000 4.805) 14.051 10.098 ( 3.332 -0.000 0.691) 3.403 10.758 ( -5.236 0.000 -8.680) 10.137 11.187 ( -20.264 0.000 -4.415) 20.740 11.827 ( 3.119 -0.000 4.170) 5.208 12.614 ( -0.210 0.000 -7.448) 7.451 13.715 ( 9.030 -0.000 7.096) 11.485 13.905 ( 3.902 -0.000 -6.565) 7.637 15.019 ( 5.295 -0.000 4.718) 7.092 15.088 ( 6.577 -0.000 -2.520) 7.043 ======================= Grid point 408 (137/245) ======================= q-point: (-0.62 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 11.810 -0.090 -2.319) 12.036 1.693 ( 9.190 0.749 -9.751) 13.420 2.278 ( -7.880 2.189 -4.227) 9.206 2.646 ( -2.759 1.406 2.906) 4.246 3.078 ( -16.394 3.070 -1.243) 16.725 3.157 ( -10.144 -3.711 4.224) 11.598 3.536 ( -2.613 4.652 -5.530) 7.684 3.599 ( -4.876 -5.181 -3.893) 8.110 4.033 ( 2.331 0.065 10.948) 11.194 4.225 ( 5.913 0.569 2.593) 6.482 4.719 ( 1.528 2.078 -3.290) 4.181 4.928 ( -8.305 -0.199 7.184) 10.983 5.433 ( -1.009 -2.117 6.246) 6.672 6.018 ( -10.972 -0.567 -3.642) 11.575 6.235 ( -5.886 -0.747 -0.529) 5.957 6.560 ( -8.438 1.022 -6.449) 10.670 6.815 ( 0.229 -2.233 -2.358) 3.255 7.087 ( 3.700 1.467 3.547) 5.331 7.495 ( -5.823 5.865 3.100) 8.827 7.568 ( -4.467 -5.976 -3.751) 8.350 7.934 ( -8.092 4.230 2.839) 9.562 8.024 ( -6.985 -4.124 7.987) 11.383 8.734 ( -2.104 1.256 2.415) 3.441 8.898 ( 5.424 0.757 -10.121) 11.508 9.263 ( -4.882 0.681 3.162) 5.856 9.460 ( -0.834 7.561 2.285) 7.943 9.558 ( -1.953 -10.096 1.134) 10.345 10.189 ( 5.470 -1.267 0.782) 5.669 10.640 ( -5.074 11.702 -8.087) 15.102 10.863 ( -12.882 -11.794 -7.500) 19.007 11.883 ( 2.232 0.336 9.656) 9.916 12.601 ( -1.754 -1.147 -6.664) 6.986 13.882 ( 8.493 3.196 9.103) 12.854 13.970 ( 2.844 -2.647 -5.550) 6.775 15.132 ( 6.986 1.946 5.595) 9.160 15.244 ( 9.942 -0.506 -5.601) 11.423 ======================= Grid point 409 (138/245) ======================= q-point: (-0.54 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 6.439 1.128 -0.036) 6.537 1.811 ( 3.488 3.347 -4.644) 6.703 2.139 ( -4.647 3.481 -1.803) 6.080 2.510 ( -10.185 4.550 6.223) 12.773 2.779 ( -14.019 -1.791 -0.053) 14.133 2.939 ( -12.575 -2.338 10.692) 16.670 3.429 ( -8.035 2.475 -5.865) 10.251 3.505 ( -5.963 -1.366 -1.257) 6.245 4.183 ( 12.431 0.254 3.320) 12.869 4.339 ( 5.503 1.397 7.466) 9.380 4.743 ( 1.170 4.329 -1.826) 4.841 4.807 ( -2.356 -0.925 2.003) 3.228 5.339 ( -10.599 -6.253 0.195) 12.307 5.904 ( -1.223 1.161 0.932) 1.926 5.996 ( -18.118 -3.414 -6.388) 19.512 6.473 ( -0.829 1.697 0.889) 2.087 6.831 ( -1.320 0.139 -0.145) 1.335 7.037 ( -8.020 1.596 5.640) 9.933 7.375 ( -4.968 1.709 4.819) 7.129 7.499 ( -3.500 -1.877 2.605) 4.750 7.764 ( -8.260 0.405 0.475) 8.283 7.962 ( -1.674 -0.731 -1.650) 2.462 8.641 ( -7.475 -0.212 2.095) 7.766 8.945 ( -1.306 2.814 -9.643) 10.130 9.030 ( -11.877 2.500 -5.194) 13.202 9.406 ( -8.035 -4.224 -1.147) 9.150 9.653 ( 7.816 -3.187 3.494) 9.136 10.238 ( -2.140 0.960 -3.580) 4.280 10.557 ( 8.047 11.252 -2.885) 14.131 10.860 ( 1.487 -15.612 -5.250) 16.538 11.890 ( -1.372 1.420 12.235) 12.393 12.555 ( -4.314 -2.681 -6.696) 8.404 13.944 ( 1.484 4.769 -2.203) 5.459 14.078 ( 5.317 -4.493 9.215) 11.549 15.247 ( 6.904 4.885 5.774) 10.241 15.465 ( 13.199 -1.058 -7.798) 15.367 ======================= Grid point 410 (139/245) ======================= q-point: (-0.46 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 1.128 4.594 1.146) 4.867 1.769 ( -3.075 10.944 4.820) 12.348 2.069 ( -3.130 0.301 -0.905) 3.272 2.297 ( -7.755 2.311 7.367) 10.944 2.529 ( -13.622 -0.328 4.007) 14.203 2.776 ( -7.462 -3.380 9.914) 12.860 3.229 ( -9.699 3.847 -2.559) 10.743 3.406 ( -4.570 -0.243 4.177) 6.196 4.363 ( -2.942 3.556 5.419) 7.118 4.439 ( 12.483 -0.091 -0.010) 12.483 4.661 ( -4.278 0.922 -3.631) 5.687 4.896 ( 7.797 -1.272 -1.402) 8.023 5.245 ( 0.935 -4.866 -1.475) 5.170 5.606 ( -20.964 -4.029 -8.184) 22.863 5.991 ( 6.665 0.026 5.647) 8.736 6.455 ( -1.771 2.867 3.847) 5.114 6.679 ( -9.498 5.982 5.831) 12.649 6.878 ( -11.414 -5.229 2.941) 12.895 7.265 ( -5.991 6.721 -0.525) 9.019 7.431 ( -2.317 1.356 4.743) 5.450 7.670 ( -4.719 -7.148 1.444) 8.686 7.944 ( 0.134 -0.456 -4.586) 4.611 8.467 ( -9.918 0.603 -1.497) 10.049 8.766 ( -12.127 3.738 -7.927) 14.962 8.897 ( -6.126 -1.324 -5.384) 8.263 9.285 ( -5.363 -5.223 -5.380) 9.219 9.808 ( 6.291 -1.011 3.243) 7.150 10.192 ( -0.028 1.893 -5.711) 6.017 10.756 ( 14.599 3.732 1.421) 15.136 11.011 ( 6.134 -10.997 -2.486) 12.835 11.809 ( -6.225 2.375 12.791) 14.422 12.471 ( -6.460 -4.180 -7.647) 10.848 13.929 ( -0.403 3.328 -3.269) 4.682 14.178 ( 2.809 -4.323 13.450) 14.404 15.331 ( 5.506 7.925 5.867) 11.293 15.739 ( 14.617 -2.056 -9.497) 17.552 ======================= Grid point 411 (140/245) ======================= q-point: (-0.38 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 0.431 8.903 5.434) 10.439 1.640 ( -1.295 15.641 11.983) 19.746 1.960 ( -8.892 2.299 5.900) 10.916 2.227 ( -0.758 -1.805 3.322) 3.856 2.318 ( -8.085 -3.749 4.067) 9.796 2.632 ( -7.415 4.475 12.106) 14.885 3.090 ( -3.209 1.835 -1.381) 3.946 3.368 ( 0.484 -0.386 6.707) 6.736 4.165 ( -12.570 0.757 -0.666) 12.611 4.582 ( 2.731 1.985 -1.480) 3.686 4.711 ( 7.734 -2.590 -4.899) 9.515 5.038 ( 3.318 -0.795 -6.627) 7.454 5.283 ( -7.549 -2.789 -3.503) 8.777 5.448 ( 10.524 -5.774 0.926) 12.040 6.127 ( 7.199 1.627 6.248) 9.670 6.296 ( -10.621 3.062 5.494) 12.344 6.578 ( -5.925 1.801 2.310) 6.610 6.675 ( -3.884 -0.417 6.882) 7.914 7.053 ( -9.816 7.362 -0.437) 12.278 7.423 ( -4.676 -4.444 -3.252) 7.224 7.615 ( -1.396 -3.509 1.749) 4.162 8.002 ( 4.825 -0.961 0.273) 4.927 8.298 ( -6.851 2.367 -4.322) 8.440 8.464 ( -16.282 1.392 -6.710) 17.665 8.834 ( -1.889 -1.866 -2.738) 3.815 9.257 ( -0.976 -3.236 -5.984) 6.873 9.883 ( 1.981 1.000 2.741) 3.526 10.220 ( 2.205 -2.112 -5.626) 6.401 11.003 ( 11.589 0.988 2.137) 11.826 11.183 ( 7.621 -4.910 0.520) 9.081 11.641 ( -9.859 2.193 12.887) 16.373 12.374 ( -5.829 -5.131 -9.401) 12.193 13.904 ( -0.453 2.242 -1.780) 2.898 14.234 ( 0.812 -4.974 14.274) 15.137 15.363 ( 3.020 10.485 5.785) 12.350 16.005 ( 10.975 -4.444 -11.282) 16.355 ======================= Grid point 412 (141/245) ======================= q-point: (-0.31 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.000 11.394 8.608) 14.280 1.590 ( 0.000 13.145 20.360) 24.235 1.774 ( 0.000 9.264 6.252) 11.176 2.237 ( -0.000 -1.543 -1.123) 1.908 2.293 ( -0.000 -9.886 5.852) 11.489 2.507 ( 0.000 11.207 14.529) 18.349 3.061 ( 0.000 0.236 -2.119) 2.132 3.388 ( -0.000 -0.026 6.213) 6.213 4.026 ( -0.000 -0.646 -2.436) 2.520 4.593 ( 0.000 2.469 -1.944) 3.142 4.827 ( -0.000 -3.474 -4.581) 5.750 5.015 ( -0.000 -3.111 -15.827) 16.129 5.268 ( -0.000 -1.812 4.126) 4.506 5.641 ( -0.000 -6.538 0.299) 6.545 6.132 ( 0.000 2.835 5.157) 5.885 6.223 ( 0.000 2.275 7.650) 7.981 6.433 ( 0.000 1.966 -0.754) 2.105 6.734 ( -0.000 -1.076 9.053) 9.117 6.908 ( 0.000 5.415 0.334) 5.425 7.343 ( -0.000 -7.228 -6.593) 9.783 7.628 ( 0.000 4.892 0.324) 4.902 8.067 ( -0.000 -0.655 5.550) 5.589 8.241 ( 0.000 1.398 1.268) 1.887 8.249 ( 0.000 1.602 -13.516) 13.610 8.829 ( -0.000 -2.325 -1.404) 2.716 9.264 ( -0.000 -2.569 -4.793) 5.438 9.891 ( 0.000 1.232 2.983) 3.227 10.264 ( -0.000 -3.879 -5.445) 6.685 11.117 ( -0.000 -0.248 1.774) 1.792 11.313 ( 0.000 0.184 -1.268) 1.281 11.490 ( -0.000 -0.128 16.665) 16.666 12.340 ( -0.000 -5.221 -10.525) 11.749 13.891 ( 0.000 1.427 -0.179) 1.438 14.269 ( -0.000 -5.457 13.382) 14.452 15.331 ( 0.000 11.876 4.970) 12.874 16.149 ( -0.000 -6.325 -11.929) 13.502 ======================= Grid point 421 (142/245) ======================= q-point: (-0.62 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 6.905 -0.000 -0.281) 6.911 1.829 ( 4.529 -0.000 -5.118) 6.834 2.158 ( -5.326 0.000 -1.365) 5.498 2.536 ( -10.273 0.000 5.576) 11.688 2.769 ( -14.253 0.000 -0.007) 14.253 2.925 ( -12.853 0.000 11.037) 16.942 3.447 ( -8.918 0.000 -5.129) 10.288 3.494 ( -4.404 0.000 -1.971) 4.824 4.184 ( 12.493 -0.000 3.303) 12.922 4.347 ( 5.782 -0.000 7.650) 9.589 4.773 ( 3.785 -0.000 -2.265) 4.411 4.796 ( -5.527 0.000 2.283) 5.980 5.304 ( -10.464 0.000 0.538) 10.478 5.912 ( 0.323 -0.000 1.649) 1.681 5.977 ( -19.871 0.000 -7.388) 21.200 6.482 ( -0.752 0.000 0.517) 0.913 6.830 ( 0.803 -0.000 -0.950) 1.244 7.048 ( -10.440 0.000 6.965) 12.550 7.382 ( -6.058 0.000 6.798) 9.106 7.491 ( -0.479 0.000 1.043) 1.147 7.767 ( -10.313 0.000 1.616) 10.439 7.958 ( -0.902 0.000 -2.520) 2.677 8.639 ( -7.923 0.000 1.402) 8.046 8.960 ( -0.341 0.000 -10.314) 10.319 9.047 ( -12.880 0.000 -4.626) 13.686 9.380 ( -9.825 0.000 -1.007) 9.877 9.636 ( 9.559 -0.000 4.052) 10.383 10.241 ( -0.590 0.000 -2.699) 2.763 10.690 ( 2.941 -0.000 -5.136) 5.918 10.705 ( 4.921 -0.000 -5.042) 7.046 11.898 ( -1.137 0.000 13.373) 13.422 12.540 ( -4.472 0.000 -6.653) 8.016 13.977 ( -0.227 0.000 -7.510) 7.514 14.046 ( 6.740 -0.000 14.793) 16.256 15.275 ( 7.291 -0.000 7.728) 10.624 15.458 ( 13.013 -0.000 -10.383) 16.647 ======================= Grid point 423 (143/245) ======================= q-point: (-0.54 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 2.592 1.747 0.034) 3.125 1.852 ( -0.580 4.200 3.069) 5.234 2.072 ( -4.377 0.289 0.572) 4.424 2.301 ( -11.913 -0.605 7.828) 14.268 2.544 ( -11.223 1.990 2.859) 11.752 2.738 ( -7.085 -2.769 9.644) 12.283 3.265 ( -9.084 2.211 -5.672) 10.935 3.399 ( -4.980 -0.709 7.742) 9.233 4.391 ( -3.323 1.548 6.454) 7.422 4.436 ( 12.432 -0.240 -0.345) 12.439 4.670 ( -6.161 0.625 -4.045) 7.397 4.884 ( 8.179 -0.775 -0.805) 8.255 5.210 ( 2.822 -1.694 -1.498) 3.616 5.577 ( -21.368 -1.494 -8.408) 23.011 5.993 ( 7.198 0.167 5.435) 9.021 6.474 ( -1.562 0.876 3.443) 3.881 6.745 ( -10.875 6.456 5.860) 13.938 6.815 ( -10.622 -6.472 4.073) 13.089 7.317 ( -1.582 2.534 0.905) 3.121 7.459 ( -4.830 3.274 2.722) 6.438 7.598 ( -7.193 -5.324 2.298) 9.239 7.941 ( -0.032 -0.144 -3.637) 3.640 8.472 ( -8.764 0.237 -2.899) 9.234 8.805 ( -14.600 2.930 -6.265) 16.155 8.879 ( -6.242 -1.814 -5.090) 8.256 9.243 ( -3.674 -2.189 -6.655) 7.911 9.801 ( 7.161 -0.326 3.157) 7.833 10.207 ( -1.341 0.798 -5.857) 6.061 10.812 ( 12.330 6.844 -0.574) 14.114 10.902 ( 9.765 -9.402 -1.719) 13.664 11.829 ( -6.082 1.117 14.408) 15.678 12.438 ( -6.672 -1.691 -7.596) 10.251 13.957 ( -1.157 1.606 -6.129) 6.441 14.143 ( 3.052 -1.984 16.653) 17.046 15.393 ( 6.029 3.322 8.976) 11.311 15.719 ( 13.883 -1.281 -13.534) 19.430 ======================= Grid point 424 (144/245) ======================= q-point: (-0.46 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 1.557 5.567 2.375) 6.249 1.789 ( -0.677 11.783 9.458) 15.125 1.973 ( -6.144 0.623 5.293) 8.134 2.166 ( -4.987 -8.097 8.999) 13.092 2.326 ( -8.923 3.450 2.413) 9.866 2.650 ( -4.444 -0.644 7.235) 8.516 3.123 ( -3.676 3.706 -4.037) 6.599 3.355 ( -0.124 -1.703 12.243) 12.361 4.173 ( -13.947 0.590 -0.887) 13.988 4.601 ( 4.509 1.492 -0.515) 4.777 4.682 ( 5.123 -2.448 -4.352) 7.154 5.034 ( 2.259 -0.116 -7.975) 8.290 5.272 ( -4.893 0.538 -2.173) 5.381 5.391 ( 10.275 -4.856 0.815) 11.394 6.144 ( 8.334 1.347 6.129) 10.433 6.321 ( -11.962 1.658 5.697) 13.353 6.590 ( -8.965 0.796 2.007) 9.222 6.663 ( -1.268 -1.576 8.668) 8.901 7.145 ( -10.370 9.584 -1.975) 14.259 7.352 ( -10.095 -8.469 -3.494) 13.633 7.593 ( 5.512 -0.938 3.399) 6.543 7.995 ( 4.887 -0.420 1.483) 5.124 8.324 ( -6.438 2.137 -5.308) 8.614 8.470 ( -17.389 -0.005 -3.615) 17.761 8.821 ( -1.403 -0.696 -4.350) 4.624 9.227 ( -0.373 -2.093 -8.201) 8.472 9.894 ( 2.990 0.966 2.255) 3.867 10.202 ( 0.491 -1.291 -6.536) 6.681 11.016 ( 9.975 1.297 1.122) 10.122 11.139 ( 11.624 -3.315 1.276) 12.155 11.664 ( -10.268 1.832 14.046) 17.495 12.326 ( -6.014 -3.461 -9.265) 11.575 13.927 ( -0.864 1.802 -4.233) 4.681 14.190 ( 0.785 -3.224 17.046) 17.366 15.457 ( 3.441 6.754 9.141) 11.875 15.961 ( 9.725 -3.524 -15.104) 18.307 ======================= Grid point 425 (145/245) ======================= q-point: (-0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 0.000 8.625 4.963) 9.951 1.733 ( 0.000 13.660 16.516) 21.433 1.856 ( 0.000 5.626 4.665) 7.309 2.179 ( -0.000 -11.464 8.671) 14.375 2.231 ( 0.000 0.851 0.954) 1.279 2.590 ( 0.000 4.169 8.729) 9.674 3.078 ( 0.000 2.928 -3.541) 4.595 3.377 ( -0.000 -1.861 11.473) 11.623 4.020 ( -0.000 -0.439 -3.154) 3.185 4.624 ( 0.000 3.250 -0.838) 3.356 4.776 ( -0.000 -5.606 -3.633) 6.680 4.987 ( -0.000 -2.087 -15.479) 15.619 5.281 ( 0.000 3.797 3.467) 5.142 5.567 ( -0.000 -7.307 1.193) 7.403 6.160 ( 0.000 2.292 5.999) 6.422 6.247 ( 0.000 2.096 7.135) 7.437 6.445 ( 0.000 0.389 -0.132) 0.411 6.715 ( -0.000 -2.192 11.146) 11.359 6.978 ( 0.000 7.630 -1.983) 7.883 7.260 ( -0.000 -8.326 -5.773) 10.132 7.674 ( 0.000 3.573 0.867) 3.676 8.062 ( -0.000 -0.333 5.652) 5.662 8.253 ( 0.000 0.872 1.089) 1.395 8.261 ( 0.000 0.647 -10.629) 10.649 8.813 ( -0.000 -0.718 -3.816) 3.883 9.236 ( -0.000 -2.422 -7.453) 7.837 9.911 ( 0.000 2.134 2.029) 2.945 10.224 ( -0.000 -3.413 -6.402) 7.255 11.114 ( -0.000 -0.173 1.811) 1.819 11.315 ( 0.000 0.127 -1.294) 1.301 11.498 ( 0.000 1.211 17.482) 17.524 12.285 ( -0.000 -4.791 -10.377) 11.429 13.909 ( 0.000 1.838 -2.674) 3.245 14.216 ( -0.000 -4.329 16.305) 16.870 15.446 ( 0.000 9.389 8.064) 12.377 16.084 ( -0.000 -5.576 -14.885) 15.895 ======================= Grid point 436 (146/245) ======================= q-point: (-0.54 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 2.004 -0.000 1.117) 2.295 1.860 ( 0.591 -0.000 7.605) 7.628 1.981 ( -4.969 0.000 5.065) 7.095 2.107 ( -7.711 0.000 11.449) 13.804 2.350 ( -9.459 0.000 3.233) 9.996 2.641 ( -3.296 0.000 4.709) 5.748 3.147 ( -3.768 0.000 -6.653) 7.646 3.343 ( -0.350 0.000 16.132) 16.136 4.176 ( -14.503 0.000 -0.979) 14.536 4.610 ( 6.174 -0.000 -0.065) 6.174 4.667 ( 3.101 -0.000 -4.221) 5.237 5.033 ( 1.542 -0.000 -8.686) 8.821 5.281 ( -3.672 0.000 -1.344) 3.910 5.359 ( 10.383 -0.000 0.668) 10.404 6.152 ( 8.812 -0.000 6.046) 10.687 6.330 ( -12.520 0.000 5.795) 13.796 6.595 ( -11.579 0.000 1.250) 11.646 6.652 ( 1.255 -0.000 9.853) 9.933 7.238 ( -8.180 0.000 -3.532) 8.910 7.264 ( -14.023 0.000 -2.292) 14.209 7.589 ( 7.573 -0.000 3.734) 8.443 7.993 ( 4.884 -0.000 1.889) 5.236 8.337 ( -6.087 0.000 -5.987) 8.538 8.469 ( -18.111 0.000 -2.020) 18.223 8.818 ( -1.130 0.000 -4.940) 5.068 9.216 ( -0.146 0.000 -9.152) 9.154 9.900 ( 3.448 -0.000 2.155) 4.066 10.194 ( -0.267 0.000 -6.945) 6.950 11.025 ( 8.433 -0.000 0.442) 8.445 11.120 ( 14.027 -0.000 1.888) 14.153 11.674 ( -10.425 0.000 14.489) 17.850 12.307 ( -6.092 0.000 -9.279) 11.100 13.937 ( -1.039 0.000 -5.517) 5.614 14.172 ( 0.826 -0.000 18.412) 18.431 15.495 ( 3.587 -0.000 11.140) 11.703 15.941 ( 9.305 -0.000 -17.214) 19.567 ======================= Grid point 438 (147/245) ======================= q-point: (-0.46 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.000 3.354 2.425) 4.139 1.870 ( 0.000 10.988 12.133) 16.369 1.890 ( 0.000 1.158 5.525) 5.645 2.058 ( -0.000 -10.218 12.530) 16.168 2.249 ( 0.000 1.685 2.093) 2.687 2.606 ( -0.000 -0.019 3.507) 3.508 3.111 ( 0.000 2.404 -6.018) 6.481 3.357 ( -0.000 -1.442 17.469) 17.528 4.017 ( -0.000 -0.155 -3.553) 3.557 4.660 ( 0.000 3.490 0.416) 3.514 4.719 ( -0.000 -4.626 -3.687) 5.915 4.972 ( -0.000 -0.732 -15.301) 15.318 5.330 ( 0.000 4.075 2.790) 4.939 5.496 ( -0.000 -4.991 2.010) 5.380 6.178 ( 0.000 0.907 6.585) 6.647 6.264 ( 0.000 0.893 6.670) 6.729 6.446 ( -0.000 -0.076 0.083) 0.112 6.696 ( -0.000 -1.045 12.081) 12.126 7.064 ( 0.000 8.020 -4.077) 8.997 7.171 ( -0.000 -8.159 -4.475) 9.306 7.700 ( 0.000 1.319 1.202) 1.785 8.059 ( -0.000 -0.099 5.691) 5.692 8.259 ( 0.000 0.296 1.000) 1.043 8.264 ( 0.000 0.103 -8.739) 8.740 8.810 ( -0.000 -0.055 -5.105) 5.105 9.218 ( -0.000 -0.943 -9.218) 9.266 9.929 ( 0.000 1.021 1.782) 2.054 10.197 ( -0.000 -1.448 -7.200) 7.345 11.113 ( -0.000 -0.062 1.831) 1.832 11.315 ( 0.000 0.045 -1.309) 1.310 11.509 ( 0.000 0.709 18.012) 18.026 12.247 ( -0.000 -1.950 -10.380) 10.562 13.925 ( 0.000 0.877 -4.605) 4.688 14.182 ( -0.000 -1.710 18.367) 18.447 15.519 ( 0.000 3.810 11.201) 11.832 16.039 ( -0.000 -2.468 -17.877) 18.046 ======================= Grid point 525 (148/245) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 0.000 0.000 17.637) 17.637 1.792 ( 0.000 0.000 25.161) 25.161 1.969 ( 0.000 0.000 -5.219) 5.219 2.275 ( 0.000 0.000 16.729) 16.729 2.336 ( 0.000 0.000 21.166) 21.166 2.502 ( 0.000 0.000 -1.829) 1.829 3.051 ( 0.000 0.000 -1.515) 1.515 3.439 ( 0.000 0.000 6.639) 6.639 4.075 ( 0.000 0.000 3.210) 3.210 4.437 ( 0.000 0.000 -9.995) 9.995 4.679 ( 0.000 0.000 -3.750) 3.750 4.773 ( 0.000 0.000 -18.934) 18.934 5.613 ( 0.000 0.000 1.479) 1.479 5.789 ( 0.000 0.000 -4.029) 4.029 6.113 ( 0.000 0.000 2.950) 2.950 6.269 ( 0.000 0.000 -2.318) 2.318 6.420 ( 0.000 0.000 8.208) 8.208 6.453 ( 0.000 0.000 3.042) 3.042 6.951 ( 0.000 0.000 6.213) 6.213 7.355 ( 0.000 0.000 -7.790) 7.790 7.447 ( 0.000 0.000 -2.342) 2.342 7.858 ( 0.000 0.000 -17.683) 17.683 8.188 ( 0.000 0.000 3.109) 3.109 8.213 ( 0.000 0.000 1.843) 1.843 9.104 ( 0.000 0.000 5.086) 5.086 9.238 ( 0.000 0.000 0.812) 0.812 10.080 ( 0.000 0.000 4.034) 4.034 10.282 ( 0.000 0.000 -4.587) 4.587 11.161 ( 0.000 0.000 2.102) 2.102 11.280 ( 0.000 0.000 -1.682) 1.682 11.855 ( 0.000 0.000 10.508) 10.508 12.254 ( 0.000 0.000 -4.289) 4.289 14.086 ( 0.000 0.000 2.124) 2.124 14.198 ( 0.000 0.000 -7.118) 7.118 15.197 ( 0.000 0.000 14.585) 14.585 16.129 ( 0.000 0.000 -12.662) 12.662 ======================= Grid point 526 (149/245) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 2.691 -0.712 15.588) 15.834 1.620 ( -10.428 -1.211 24.991) 27.107 1.986 ( -0.759 1.031 -6.582) 6.705 2.321 ( 0.383 0.831 18.156) 18.179 2.491 ( 14.807 -3.614 13.297) 20.227 2.586 ( 8.436 -0.622 -1.732) 8.634 3.068 ( 2.405 0.367 -2.288) 3.340 3.391 ( -4.032 -1.207 5.751) 7.127 4.192 ( 9.247 -0.066 3.846) 10.015 4.467 ( 3.442 1.947 -6.494) 7.603 4.519 ( -7.823 -3.059 -7.247) 11.094 4.940 ( 5.626 0.474 -10.670) 12.072 5.549 ( -0.083 3.370 -0.320) 3.386 5.652 ( -10.463 1.850 -2.812) 10.991 6.196 ( 6.817 -0.391 2.788) 7.376 6.338 ( 1.317 -0.648 1.590) 2.164 6.388 ( 3.875 2.628 3.916) 6.104 6.454 ( -0.473 -8.144 6.030) 10.144 7.100 ( 14.063 1.008 5.788) 15.241 7.336 ( -1.644 -1.014 -4.576) 4.967 7.659 ( 15.465 0.403 -7.053) 17.002 7.812 ( -4.426 -0.400 -15.562) 16.184 8.272 ( 9.309 1.431 0.491) 9.431 8.290 ( 8.347 -1.553 0.272) 8.495 9.085 ( -0.969 3.161 4.491) 5.577 9.226 ( -1.358 -1.444 -0.016) 1.982 10.039 ( -3.900 1.043 3.522) 5.357 10.233 ( -5.159 0.764 -4.371) 6.805 11.082 ( -7.341 0.581 2.509) 7.780 11.298 ( 1.742 0.906 -4.615) 5.015 11.880 ( 2.776 0.793 11.081) 11.451 12.323 ( 6.262 -0.562 -4.447) 7.701 14.035 ( -3.389 5.156 1.855) 6.443 14.196 ( -2.342 -5.898 -6.862) 9.346 15.190 ( -0.931 -0.723 13.510) 13.561 16.015 ( -11.009 0.719 -8.945) 14.203 ======================= Grid point 527 (150/245) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.733 0.155 11.560) 11.585 1.529 ( -1.050 -4.861 17.601) 18.290 1.946 ( -2.526 0.068 -3.626) 4.420 2.325 ( -0.165 -3.182 13.819) 14.182 2.737 ( 11.300 2.904 0.560) 11.681 2.808 ( 11.158 -3.932 -1.610) 11.940 3.155 ( 7.361 0.816 -2.378) 7.778 3.357 ( 0.711 -2.169 3.610) 4.271 4.311 ( 2.700 -1.452 4.304) 5.284 4.358 ( -6.843 -1.407 -1.696) 7.189 4.639 ( 8.904 1.172 -2.451) 9.309 4.847 ( -11.958 -0.384 -2.713) 12.268 5.525 ( 3.406 4.780 -0.422) 5.885 5.737 ( 18.068 4.211 -5.727) 19.416 6.236 ( -2.622 4.646 7.995) 9.612 6.357 ( 2.749 -4.281 5.122) 7.219 6.503 ( 6.611 -4.208 5.159) 9.382 6.629 ( 12.596 -7.299 -4.529) 15.246 7.267 ( 0.020 3.583 -1.808) 4.013 7.406 ( 9.601 -2.444 -0.673) 9.930 7.729 ( -1.467 -0.030 -8.438) 8.564 7.874 ( 7.285 -0.158 -2.505) 7.705 8.474 ( 12.855 -0.047 2.009) 13.011 8.555 ( 15.975 0.803 -5.094) 16.786 9.045 ( -0.303 5.394 2.567) 5.981 9.230 ( 1.710 -3.901 -2.878) 5.141 9.931 ( -6.895 0.656 1.949) 7.195 10.081 ( -10.399 0.371 -3.653) 11.028 10.921 ( -7.884 3.351 3.508) 9.257 11.317 ( 1.678 4.563 -8.708) 9.973 11.936 ( 2.742 -0.425 10.939) 11.285 12.454 ( 6.513 -0.868 -4.896) 8.194 13.924 ( -5.617 3.612 1.905) 6.944 14.161 ( -4.909 -6.035 -7.149) 10.565 15.170 ( -1.666 -0.756 10.872) 11.025 15.760 ( -14.724 0.444 -2.633) 14.964 ======================= Grid point 528 (151/245) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -4.868 0.418 6.938) 8.485 1.549 ( -2.738 -4.296 2.305) 5.592 1.931 ( 1.950 -2.729 4.056) 5.264 2.369 ( 2.646 -5.470 7.929) 9.990 2.890 ( 6.812 2.409 -1.421) 7.364 2.996 ( 7.259 -3.273 -5.907) 9.914 3.331 ( 11.746 2.710 -2.433) 12.298 3.451 ( 7.356 -2.267 -2.049) 7.966 4.247 ( -4.514 -0.355 5.263) 6.943 4.336 ( -2.605 -2.547 4.280) 5.620 4.591 ( -10.551 0.108 -0.077) 10.551 4.790 ( 6.220 -1.375 -2.146) 6.722 5.712 ( 15.193 5.974 1.648) 16.408 6.028 ( 10.549 6.062 -0.369) 12.172 6.191 ( 5.229 3.403 4.057) 7.442 6.399 ( 0.724 -1.847 5.256) 5.618 6.710 ( 11.209 -5.244 2.886) 12.707 6.883 ( 7.720 -8.091 -4.341) 11.997 7.253 ( 2.253 1.513 -2.692) 3.823 7.415 ( -6.735 0.541 -13.087) 14.728 7.863 ( 11.955 -0.047 4.426) 12.748 7.995 ( 6.601 -2.093 1.326) 7.051 8.671 ( 4.969 1.371 3.900) 6.464 8.774 ( 6.010 -0.512 0.428) 6.047 9.084 ( 11.911 7.194 0.062) 13.915 9.382 ( 10.401 -5.796 -4.041) 12.574 9.780 ( -8.370 0.803 -0.999) 8.467 9.876 ( -10.265 -3.426 -4.116) 11.579 10.763 ( -6.161 7.071 4.789) 10.531 11.316 ( 2.297 8.763 -10.352) 13.756 11.968 ( -0.222 -2.005 9.837) 10.042 12.553 ( 3.339 -0.603 -5.602) 6.549 13.798 ( -6.582 -0.114 1.612) 6.778 14.076 ( -6.954 -4.338 -7.400) 11.042 15.135 ( -2.348 -0.319 7.871) 8.220 15.492 ( -13.307 -0.191 1.279) 13.370 ======================= Grid point 529 (152/245) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -11.377 1.691 2.139) 11.699 1.414 ( -12.823 -3.097 -6.810) 14.846 2.061 ( 8.487 -4.262 5.371) 10.911 2.462 ( 3.206 -5.605 1.715) 6.681 3.013 ( 8.261 1.201 -1.595) 8.499 3.123 ( 4.719 -3.550 -4.032) 7.151 3.510 ( 8.401 4.526 -4.165) 10.412 3.626 ( 9.015 -0.019 -6.364) 11.035 4.155 ( -6.152 -0.546 5.624) 8.353 4.292 ( -2.119 -4.015 4.952) 6.718 4.486 ( 0.582 -1.112 2.814) 3.081 4.948 ( 8.639 -2.140 -1.357) 9.003 5.806 ( -3.345 5.007 7.781) 9.839 6.148 ( 10.596 6.295 2.304) 12.538 6.376 ( 8.304 1.550 1.155) 8.526 6.441 ( 5.806 1.951 0.188) 6.128 6.903 ( 3.382 -4.324 0.700) 5.534 6.971 ( 1.596 -1.619 -3.453) 4.134 7.245 ( -4.302 1.364 -8.807) 9.896 7.409 ( 8.318 -4.163 -6.363) 11.270 8.041 ( 7.763 0.353 5.237) 9.371 8.181 ( 9.599 -5.486 2.334) 11.299 8.664 ( -2.520 3.208 2.386) 4.726 8.801 ( -0.112 0.297 2.542) 2.562 9.356 ( 7.835 1.707 5.801) 9.897 9.450 ( -2.673 0.029 4.222) 4.998 9.673 ( -0.984 0.784 -6.471) 6.592 9.926 ( 14.657 -10.023 -8.907) 19.865 10.609 ( -5.731 9.490 6.577) 12.891 11.326 ( 4.905 11.441 -10.805) 16.484 11.948 ( -3.279 -3.032 8.813) 9.880 12.581 ( -0.500 0.123 -6.581) 6.601 13.686 ( -6.243 -3.289 0.960) 7.121 13.953 ( -7.905 -2.283 -7.199) 10.933 15.086 ( -2.886 0.044 5.454) 6.171 15.273 ( -10.236 -0.541 2.645) 10.586 ======================= Grid point 530 (153/245) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -15.515 4.737 -3.885) 16.681 1.165 ( -14.087 -4.542 -11.514) 18.752 2.246 ( 8.432 -3.151 1.758) 9.172 2.525 ( 0.793 -3.278 -2.810) 4.390 3.161 ( 5.752 -1.358 -1.336) 6.059 3.239 ( 6.945 -1.920 -0.142) 7.207 3.578 ( 1.306 4.717 -4.785) 6.845 3.726 ( 1.491 1.326 -5.741) 6.078 4.092 ( 1.145 0.237 2.980) 3.202 4.290 ( -1.152 -4.707 2.272) 5.353 4.618 ( 10.595 -2.058 7.156) 12.950 5.102 ( 5.903 -2.890 -1.898) 6.841 5.661 ( -7.518 4.462 11.428) 14.389 6.257 ( 2.869 1.746 -0.371) 3.379 6.457 ( 2.432 2.402 2.617) 4.305 6.560 ( 6.471 4.596 -3.602) 8.716 6.881 ( -5.560 -1.967 -5.460) 8.037 6.971 ( 0.736 2.023 -2.896) 3.608 7.271 ( 4.918 -1.058 -3.793) 6.300 7.595 ( 7.911 -4.092 -5.081) 10.254 8.181 ( 6.617 -1.613 7.321) 9.999 8.349 ( 4.185 -7.084 1.400) 8.346 8.587 ( -2.813 4.690 3.233) 6.353 8.815 ( 2.572 2.776 1.942) 4.254 9.204 ( -10.876 -0.324 4.687) 11.847 9.440 ( -4.613 -5.276 -0.568) 7.031 9.832 ( 13.240 2.257 2.201) 13.610 10.316 ( 16.602 -7.003 -9.921) 20.569 10.451 ( -4.217 8.425 10.459) 14.077 11.391 ( 8.415 11.067 -11.592) 18.102 11.882 ( -5.526 -3.218 8.760) 10.845 12.544 ( -2.766 0.575 -7.849) 8.342 13.604 ( -4.453 -4.059 0.284) 6.031 13.816 ( -7.133 -0.802 -6.597) 9.749 15.033 ( -2.465 0.099 3.927) 4.637 15.117 ( -6.667 -0.415 2.704) 7.206 ======================= Grid point 531 (154/245) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -11.099 3.764 -11.799) 16.630 0.990 ( -5.790 -2.489 -16.172) 17.357 2.389 ( 4.744 -1.311 -0.619) 4.960 2.529 ( -1.204 -0.943 -4.509) 4.761 3.244 ( 2.799 -1.391 0.666) 3.196 3.340 ( 1.564 1.181 0.226) 1.972 3.581 ( 2.406 -2.040 -2.509) 4.030 3.683 ( -3.688 3.355 -5.139) 7.160 4.170 ( 5.135 0.909 0.746) 5.268 4.281 ( -2.078 -2.239 0.665) 3.126 4.808 ( 6.344 -1.422 8.117) 10.400 5.192 ( 2.028 -2.262 -3.076) 4.323 5.522 ( -4.041 2.797 14.426) 15.240 6.274 ( 0.206 0.238 -0.857) 0.913 6.436 ( -2.001 0.521 -5.809) 6.166 6.625 ( 2.362 3.098 -1.518) 4.181 6.813 ( -1.227 0.246 -5.371) 5.514 6.988 ( 0.647 -0.396 1.814) 1.966 7.352 ( 2.568 -0.017 -5.070) 5.683 7.718 ( 2.992 -1.719 -6.058) 6.972 8.285 ( 2.903 -1.703 9.215) 9.810 8.431 ( 2.004 -5.964 1.728) 6.525 8.510 ( -2.752 5.436 4.395) 7.513 8.856 ( 2.981 3.000 0.899) 4.323 9.041 ( -6.135 -1.275 5.503) 8.340 9.407 ( -1.272 -2.954 -5.311) 6.209 10.036 ( 8.462 -1.828 5.731) 10.383 10.253 ( -6.958 6.376 9.257) 13.220 10.645 ( 8.529 -3.212 -5.527) 10.658 11.503 ( 6.899 6.016 -15.949) 18.389 11.786 ( -5.284 -2.476 13.162) 14.397 12.494 ( -1.620 0.315 -9.049) 9.198 13.564 ( -1.500 -1.939 -0.139) 2.455 13.715 ( -3.217 -0.051 -6.057) 6.858 15.004 ( -0.357 -0.012 2.983) 3.005 15.028 ( -2.975 -0.084 2.697) 4.017 ======================= Grid point 539 (155/245) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 1.126 -0.000 11.800) 11.854 1.502 ( -1.382 0.000 18.709) 18.760 1.947 ( -2.926 0.000 -3.993) 4.951 2.307 ( -0.514 0.000 14.301) 14.311 2.765 ( 11.725 -0.000 4.592) 12.592 2.774 ( 11.212 -0.000 -5.888) 12.664 3.159 ( 7.640 -0.000 -2.839) 8.151 3.345 ( 0.724 -0.000 4.035) 4.099 4.304 ( 3.066 -0.000 4.104) 5.123 4.351 ( -7.228 0.000 -1.665) 7.417 4.646 ( 9.529 -0.000 -2.606) 9.878 4.845 ( -12.737 0.000 -2.559) 12.991 5.551 ( 3.050 -0.000 -0.505) 3.091 5.761 ( 18.297 -0.000 -5.729) 19.173 6.272 ( -4.688 0.000 8.782) 9.955 6.324 ( 5.307 -0.000 4.088) 6.699 6.480 ( 6.527 -0.000 5.902) 8.800 6.587 ( 12.578 -0.000 -4.971) 13.525 7.289 ( -2.411 0.000 -2.879) 3.756 7.390 ( 12.658 -0.000 0.625) 12.673 7.729 ( -1.933 0.000 -9.096) 9.299 7.873 ( 7.251 -0.000 -2.687) 7.733 8.474 ( 12.592 -0.000 2.223) 12.787 8.559 ( 16.474 -0.000 -4.917) 17.192 9.081 ( 0.428 -0.000 1.980) 2.026 9.202 ( 0.424 -0.000 -1.856) 1.904 9.935 ( -7.133 0.000 1.823) 7.363 10.083 ( -10.926 0.000 -3.748) 11.551 10.940 ( -7.209 0.000 3.330) 7.941 11.342 ( 2.306 -0.000 -8.540) 8.845 11.935 ( 2.422 -0.000 9.919) 10.210 12.448 ( 6.512 -0.000 -4.738) 8.053 13.949 ( -6.969 0.000 2.442) 7.385 14.123 ( -3.866 0.000 -7.533) 8.467 15.167 ( -1.420 0.000 10.976) 11.067 15.762 ( -14.988 0.000 -2.470) 15.190 ======================= Grid point 540 (156/245) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -4.837 0.305 7.538) 8.961 1.516 ( -1.130 -1.789 3.680) 4.245 1.913 ( 0.850 -0.820 3.673) 3.858 2.328 ( 2.564 -2.051 8.209) 8.841 2.912 ( 6.257 1.578 -0.024) 6.453 2.967 ( 7.689 -1.877 -8.258) 11.438 3.355 ( 13.015 1.470 -3.401) 13.532 3.429 ( 7.168 -1.398 -1.088) 7.384 4.245 ( -4.292 -0.047 5.247) 6.779 4.317 ( -2.422 -0.976 4.048) 4.817 4.593 ( -11.733 0.190 0.257) 11.738 4.779 ( 6.407 -0.587 -2.152) 6.784 5.756 ( 14.638 2.181 1.466) 14.872 6.084 ( 13.471 3.688 -2.437) 14.177 6.203 ( 0.318 -0.565 8.090) 8.116 6.393 ( 3.159 0.254 5.325) 6.197 6.672 ( 12.027 -1.778 1.681) 12.273 6.815 ( 8.980 -3.941 -5.022) 11.018 7.267 ( 1.555 0.823 -3.083) 3.550 7.420 ( -6.828 0.285 -12.959) 14.651 7.861 ( 12.990 -0.109 3.568) 13.472 7.979 ( 4.891 -0.854 0.762) 5.023 8.686 ( 7.116 1.149 6.882) 9.966 8.763 ( 3.958 -1.023 0.320) 4.101 9.161 ( 12.041 5.984 -1.515) 13.531 9.316 ( 10.548 -5.366 -3.749) 12.414 9.787 ( -7.957 0.464 -1.422) 8.097 9.851 ( -12.596 -1.288 -3.339) 13.094 10.816 ( -5.559 2.689 4.436) 7.603 11.379 ( 2.644 2.988 -9.114) 9.949 11.957 ( -0.334 -0.372 7.238) 7.255 12.546 ( 3.475 -0.510 -5.719) 6.712 13.800 ( -8.193 0.234 2.375) 8.534 14.041 ( -5.625 -1.949 -7.772) 9.790 15.135 ( -2.022 0.061 7.997) 8.249 15.490 ( -13.586 -0.175 1.874) 13.716 ======================= Grid point 541 (157/245) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -10.014 1.335 2.155) 10.330 1.384 ( -13.454 -2.245 -5.725) 14.793 2.026 ( 8.980 -2.355 5.864) 10.981 2.414 ( 4.307 -3.249 2.252) 5.846 3.030 ( 7.661 1.888 -1.601) 8.051 3.089 ( 4.903 -2.864 -4.695) 7.368 3.552 ( 8.673 3.236 -4.849) 10.450 3.620 ( 10.297 -0.891 -6.367) 12.140 4.156 ( -5.394 0.629 5.701) 7.874 4.250 ( -4.176 -3.494 2.534) 6.006 4.480 ( 0.848 -0.169 4.965) 5.039 4.929 ( 8.334 -1.377 -1.305) 8.547 5.848 ( -3.954 2.864 6.883) 8.439 6.215 ( 7.861 5.983 2.274) 10.138 6.357 ( 8.818 -3.378 3.050) 9.923 6.481 ( 7.596 3.625 2.440) 8.763 6.871 ( 4.219 -0.978 -0.990) 4.443 6.937 ( 4.283 -4.630 -3.416) 7.173 7.264 ( -5.689 1.779 -10.375) 11.966 7.381 ( 8.754 -1.321 -6.543) 11.009 8.048 ( 6.482 1.109 3.376) 7.392 8.124 ( 8.862 -4.867 1.561) 10.231 8.705 ( -1.408 4.422 4.414) 6.405 8.790 ( 0.346 -2.329 5.166) 5.677 9.375 ( 1.777 1.639 4.556) 5.157 9.452 ( -1.458 0.223 3.619) 3.908 9.691 ( 3.076 2.945 -6.927) 8.131 9.827 ( 13.681 -8.530 -7.986) 17.992 10.690 ( -5.874 5.459 6.341) 10.223 11.419 ( 4.402 5.870 -8.157) 10.971 11.927 ( -3.075 -0.972 4.894) 5.861 12.578 ( -0.301 -0.411 -7.125) 7.143 13.658 ( -7.002 -1.805 1.904) 7.478 13.931 ( -6.956 -1.563 -7.615) 10.431 15.089 ( -2.661 0.384 5.541) 6.159 15.266 ( -10.362 -0.578 3.472) 10.943 ======================= Grid point 542 (158/245) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -13.669 5.497 -4.807) 15.497 1.110 ( -15.290 -5.741 -9.878) 19.087 2.217 ( 9.382 -2.177 2.280) 9.898 2.494 ( 2.106 -2.441 -2.408) 4.024 3.150 ( 5.078 -0.643 -1.670) 5.384 3.224 ( 8.358 -0.983 0.039) 8.416 3.627 ( -0.297 4.609 -4.784) 6.650 3.730 ( 1.991 -0.520 -5.692) 6.053 4.104 ( 1.750 2.005 1.787) 3.206 4.236 ( 0.100 -5.279 0.782) 5.338 4.600 ( 9.934 -1.249 8.503) 13.136 5.073 ( 5.474 -2.448 -1.762) 6.250 5.704 ( -7.753 3.460 10.174) 13.251 6.272 ( 1.109 0.904 1.081) 1.793 6.485 ( 2.734 3.407 1.497) 4.618 6.603 ( 6.545 2.423 0.272) 6.984 6.854 ( -4.182 -1.509 -3.433) 5.617 6.982 ( -0.668 -0.754 -6.803) 6.877 7.267 ( 5.363 0.181 -3.670) 6.501 7.569 ( 9.356 -1.049 -6.060) 11.197 8.159 ( 5.261 -1.964 4.818) 7.400 8.277 ( 4.058 -6.189 0.426) 7.413 8.644 ( -1.660 5.649 5.141) 7.816 8.838 ( 4.109 1.155 4.560) 6.246 9.202 ( -11.437 -0.266 4.486) 12.289 9.388 ( -5.460 -4.188 -0.003) 6.881 9.862 ( 11.431 3.263 -0.290) 11.891 10.238 ( 20.355 -7.055 -8.198) 23.050 10.534 ( -7.084 6.579 10.017) 13.921 11.490 ( 6.899 7.299 -8.592) 13.217 11.856 ( -5.268 -1.564 4.804) 7.299 12.546 ( -2.813 -0.009 -8.463) 8.918 13.567 ( -3.940 -2.869 1.066) 4.989 13.807 ( -6.586 -0.844 -6.920) 9.590 15.037 ( -2.433 0.492 3.964) 4.677 15.111 ( -6.576 -0.663 3.398) 7.431 ======================= Grid point 543 (159/245) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -14.280 3.860 -11.901) 18.985 0.956 ( -3.450 -3.642 -15.592) 16.379 2.379 ( 6.451 -0.477 -0.372) 6.479 2.515 ( -0.584 -1.466 -4.380) 4.656 3.234 ( 3.350 -0.529 0.823) 3.490 3.353 ( 3.207 1.038 -0.164) 3.374 3.565 ( -1.068 -0.826 -1.791) 2.243 3.715 ( -2.992 2.567 -5.628) 6.871 4.169 ( 3.151 -1.153 0.302) 3.369 4.270 ( 1.607 0.303 0.318) 1.666 4.789 ( 7.061 -2.034 8.313) 11.095 5.160 ( 2.516 -3.369 -2.183) 4.738 5.559 ( -5.029 3.740 12.686) 14.150 6.277 ( 0.084 0.330 0.449) 0.563 6.449 ( -2.513 2.115 -5.514) 6.418 6.658 ( -0.387 1.753 -0.372) 1.834 6.791 ( -2.347 -2.361 -4.734) 5.788 6.993 ( 1.121 0.135 -1.120) 1.591 7.353 ( 2.719 0.284 -4.081) 4.912 7.713 ( 5.344 0.627 -6.055) 8.100 8.251 ( 2.604 -3.768 6.692) 8.110 8.369 ( 3.150 -5.796 0.995) 6.671 8.580 ( -1.943 7.180 6.407) 9.817 8.890 ( 1.049 2.966 2.107) 3.786 9.035 ( -4.545 0.334 5.431) 7.090 9.362 ( 0.188 -5.293 -4.122) 6.711 10.022 ( 6.627 -0.658 3.881) 7.708 10.317 ( -9.132 5.305 7.789) 13.123 10.605 ( 10.655 -3.999 -3.444) 11.891 11.568 ( 2.457 5.906 -17.182) 18.334 11.763 ( -3.544 -1.853 13.765) 14.334 12.495 ( -2.040 -0.133 -9.206) 9.431 13.544 ( 0.167 -1.805 0.190) 1.823 13.715 ( -2.885 -0.019 -6.197) 6.836 15.005 ( -0.459 0.169 2.970) 3.010 15.026 ( -2.772 -0.238 2.986) 4.082 ======================= Grid point 544 (160/245) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 8.396 -3.268 -11.846) 14.883 1.008 ( 7.662 1.005 -16.796) 18.488 2.406 ( -3.567 1.910 -1.318) 4.255 2.534 ( 2.507 0.103 -4.265) 4.948 3.257 ( -1.661 0.766 0.750) 1.977 3.338 ( -1.398 1.260 -0.183) 1.891 3.597 ( -3.459 0.014 -2.850) 4.482 3.652 ( 2.484 -1.716 -4.562) 5.470 4.157 ( -4.295 -1.125 1.055) 4.563 4.310 ( 3.015 2.989 1.456) 4.488 4.817 ( -5.129 0.189 7.780) 9.320 5.200 ( -0.501 -0.836 -3.359) 3.498 5.509 ( 1.900 0.402 14.931) 15.057 6.273 ( -0.515 0.101 -0.846) 0.996 6.435 ( 1.482 0.238 -5.588) 5.786 6.599 ( -5.133 -2.445 -2.394) 6.169 6.785 ( 0.287 -3.400 -4.586) 5.716 6.998 ( -0.831 0.357 -0.548) 1.057 7.356 ( -1.708 1.073 -3.607) 4.133 7.748 ( -0.730 3.469 -5.540) 6.577 8.279 ( -2.222 -2.307 9.771) 10.283 8.456 ( 2.689 -3.698 3.248) 5.609 8.507 ( -0.827 6.586 2.097) 6.962 8.832 ( -4.401 -1.577 1.226) 4.833 9.063 ( 6.616 3.129 4.963) 8.842 9.420 ( 3.503 -0.606 -5.314) 6.393 10.057 ( -8.648 1.834 6.207) 10.801 10.191 ( 2.583 -4.953 9.767) 11.252 10.668 ( -5.412 1.079 -6.367) 8.425 11.446 ( -11.885 -4.369 -15.460) 19.983 11.813 ( 6.667 2.605 12.739) 14.613 12.489 ( 1.188 -0.705 -8.547) 8.658 13.583 ( 3.551 1.553 -0.312) 3.888 13.716 ( 3.194 0.111 -6.007) 6.804 15.006 ( 0.522 0.232 2.817) 2.875 15.028 ( 2.940 -0.128 2.537) 3.885 ======================= Grid point 545 (161/245) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 16.982 -3.837 -3.257) 17.712 1.205 ( 13.638 2.986 -12.881) 18.996 2.281 ( -7.421 3.368 0.781) 8.187 2.560 ( 0.809 3.257 -3.291) 4.700 3.179 ( -6.244 2.048 -0.819) 6.622 3.265 ( -5.067 2.853 -0.745) 5.863 3.530 ( -3.477 -4.003 -4.177) 6.750 3.703 ( -1.314 -3.002 -5.485) 6.390 4.099 ( 0.338 1.593 3.743) 4.082 4.333 ( 1.239 3.205 4.651) 5.783 4.642 ( -10.417 2.446 5.144) 11.872 5.129 ( -6.181 1.906 -2.210) 6.836 5.616 ( 6.956 -3.723 12.692) 14.944 6.238 ( -4.795 -1.701 -1.229) 5.234 6.425 ( -4.835 -3.883 4.131) 7.451 6.524 ( -3.984 -2.068 -7.326) 8.592 6.868 ( 6.191 -4.014 -6.890) 10.095 6.961 ( -2.110 -0.139 -2.248) 3.086 7.294 ( -3.312 3.367 -2.221) 5.219 7.651 ( -6.438 6.036 -4.061) 9.715 8.187 ( -7.386 -0.290 9.892) 12.349 8.415 ( -5.259 4.623 4.342) 8.239 8.553 ( 4.369 -1.430 -0.946) 4.694 8.786 ( -1.586 -2.343 -0.276) 2.843 9.212 ( 10.055 1.224 4.778) 11.199 9.491 ( 4.847 3.956 -1.422) 6.416 9.816 ( -14.921 -0.623 5.114) 15.785 10.319 ( 3.171 -8.406 2.101) 9.227 10.426 ( -14.566 5.824 -3.127) 15.996 11.264 ( -11.090 -12.523 -13.192) 21.304 11.921 ( 6.105 3.989 11.036) 13.228 12.534 ( 2.557 -1.150 -6.846) 7.398 13.650 ( 5.160 4.504 -0.590) 6.875 13.822 ( 7.561 0.178 -6.049) 9.685 15.036 ( 2.711 0.576 3.499) 4.463 15.118 ( 6.637 -0.136 2.166) 6.983 ======================= Grid point 546 (162/245) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 12.789 -1.451 2.086) 13.039 1.446 ( 12.528 2.865 -8.061) 15.171 2.113 ( -7.605 5.287 4.452) 10.277 2.527 ( -1.744 6.288 0.642) 6.556 3.007 ( -9.431 0.054 -0.917) 9.476 3.163 ( -4.510 4.117 -3.487) 7.032 3.460 ( -7.471 -4.846 -3.134) 9.441 3.619 ( -7.866 -1.315 -6.360) 10.200 4.168 ( 6.174 1.964 6.046) 8.862 4.327 ( 0.552 2.316 8.420) 8.750 4.508 ( -0.111 3.171 -0.830) 3.280 4.971 ( -9.030 1.966 -1.486) 9.361 5.746 ( 1.860 -6.135 8.725) 10.827 6.088 ( -11.152 -4.876 2.386) 12.403 6.323 ( -10.723 -6.484 -1.527) 12.624 6.446 ( -2.635 1.291 -1.048) 3.116 6.923 ( -2.684 -2.294 -1.325) 3.771 6.997 ( 3.043 4.658 -1.009) 5.655 7.243 ( 2.128 1.191 -7.250) 7.649 7.469 ( -8.376 6.893 -5.150) 12.008 8.036 ( -8.755 -0.824 7.471) 11.539 8.234 ( -10.848 4.091 4.220) 12.338 8.641 ( 3.657 -1.052 -0.762) 3.881 8.787 ( 0.133 -1.961 -0.799) 2.122 9.342 ( -10.094 -0.822 6.678) 12.130 9.454 ( 0.939 0.857 5.588) 5.731 9.669 ( 2.906 -0.273 -5.870) 6.556 10.036 ( -14.600 10.539 -10.158) 20.674 10.498 ( 5.859 -10.973 6.732) 14.144 11.183 ( -5.530 -15.188 -12.287) 20.303 11.990 ( 3.612 4.708 11.623) 13.050 12.574 ( 0.522 -1.161 -5.467) 5.613 13.726 ( 5.309 4.123 -0.341) 6.730 13.976 ( 9.003 1.896 -6.273) 11.135 15.091 ( 3.376 0.995 4.833) 5.979 15.275 ( 9.998 -0.118 1.811) 10.161 ======================= Grid point 547 (163/245) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 5.253 0.012 6.044) 8.008 1.600 ( 5.120 4.880 -0.220) 7.077 1.971 ( -3.408 4.943 4.706) 7.628 2.438 ( -3.040 7.184 7.363) 10.727 2.863 ( -7.462 -2.530 -1.235) 7.975 3.034 ( -6.993 3.913 -4.136) 9.017 3.301 ( -10.731 -2.872 -1.761) 11.248 3.472 ( -6.503 1.623 -2.856) 7.286 4.253 ( 4.770 0.758 5.444) 7.277 4.368 ( 3.257 3.432 4.646) 6.631 4.594 ( 8.783 0.904 -0.769) 8.863 4.805 ( -6.264 1.412 -2.160) 6.775 5.635 ( -15.668 -8.415 2.060) 17.903 5.965 ( -11.207 -5.637 -1.107) 12.593 6.139 ( -5.115 -5.738 3.677) 8.521 6.427 ( 0.598 2.939 3.791) 4.834 6.775 ( -10.255 6.476 3.718) 12.686 6.968 ( -4.382 7.274 -2.699) 8.911 7.246 ( -4.169 0.648 -2.343) 4.826 7.411 ( 5.993 -0.027 -13.074) 14.382 7.860 ( -10.887 -0.717 5.813) 12.362 8.020 ( -8.696 2.315 2.412) 9.316 8.662 ( -3.193 -0.197 0.738) 3.283 8.765 ( -7.594 -2.411 -2.009) 8.217 9.025 ( -12.206 -3.606 2.867) 13.046 9.428 ( -9.746 2.705 -4.044) 10.893 9.771 ( 8.092 -0.984 -0.236) 8.155 9.923 ( 6.762 5.398 -5.472) 10.237 10.675 ( 7.525 -8.930 5.106) 12.746 11.199 ( -1.399 -13.062 -10.970) 17.114 12.001 ( 0.005 4.128 12.307) 12.981 12.554 ( -3.261 -0.597 -4.867) 5.889 13.805 ( 4.700 1.197 0.526) 4.879 14.124 ( 8.233 4.288 -6.580) 11.378 15.145 ( 3.094 1.708 7.143) 7.970 15.491 ( 12.790 -0.477 0.472) 12.808 ======================= Grid point 548 (164/245) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.062 0.670 10.567) 10.589 1.598 ( 0.683 7.845 14.653) 16.635 1.950 ( 1.654 1.045 -2.758) 3.382 2.367 ( -1.219 4.463 12.918) 13.722 2.706 ( -10.876 -2.927 1.058) 11.313 2.854 ( -10.259 4.825 -1.439) 11.428 3.142 ( -6.823 -1.634 -1.210) 7.119 3.388 ( -0.470 3.402 2.672) 4.352 4.334 ( -1.425 2.762 4.346) 5.343 4.379 ( 5.508 2.529 -1.426) 6.226 4.624 ( -7.705 -1.652 -2.012) 8.133 4.852 ( 10.295 0.516 -3.000) 10.736 5.457 ( -3.953 -7.607 -0.267) 8.577 5.677 ( -17.631 -6.786 -5.805) 19.764 6.191 ( 3.314 -3.689 8.504) 9.844 6.404 ( -2.192 4.449 4.813) 6.911 6.562 ( -6.702 6.531 4.315) 10.305 6.727 ( -12.819 10.605 -3.828) 17.072 7.225 ( -2.142 -4.075 -0.640) 4.648 7.432 ( -6.011 2.209 -2.416) 6.845 7.729 ( 0.400 -0.050 -6.621) 6.633 7.876 ( -7.431 0.088 -2.038) 7.706 8.473 ( -14.056 -0.484 1.175) 14.114 8.546 ( -13.897 -0.561 -5.311) 14.888 8.986 ( 0.523 -5.354 3.220) 6.269 9.264 ( -3.682 2.131 -4.686) 6.329 9.920 ( 6.224 -1.414 2.321) 6.791 10.077 ( 8.943 -0.340 -3.498) 9.609 10.875 ( 9.719 -4.970 3.762) 11.546 11.248 ( 0.149 -8.286 -8.590) 11.936 11.949 ( -3.576 2.091 12.657) 13.318 12.461 ( -6.576 0.080 -4.831) 8.161 13.889 ( 3.837 -2.602 1.470) 4.863 14.229 ( 5.770 6.147 -6.768) 10.811 15.186 ( 2.448 2.545 10.178) 10.773 15.751 ( 14.009 -1.308 -2.973) 14.380 ======================= Grid point 549 (165/245) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -1.970 2.202 14.405) 14.705 1.645 ( 8.911 3.512 22.892) 24.815 1.972 ( -0.320 -1.052 -3.984) 4.133 2.312 ( -4.998 -0.691 14.667) 15.510 2.530 ( -6.972 1.376 6.103) 9.368 2.619 ( -9.833 6.772 5.558) 13.170 3.060 ( -2.719 -1.148 -1.926) 3.524 3.415 ( 4.175 3.198 5.796) 7.826 4.193 ( -10.522 0.108 4.152) 11.312 4.452 ( -1.186 -0.455 -5.315) 5.465 4.558 ( 6.604 3.596 -8.119) 11.067 4.931 ( -5.750 -1.195 -10.160) 11.735 5.486 ( 0.670 -7.927 0.174) 7.957 5.616 ( 9.359 -4.660 -2.377) 10.721 6.203 ( -4.740 0.960 3.542) 5.995 6.339 ( 0.211 0.104 7.638) 7.641 6.406 ( -8.845 5.057 -1.460) 10.293 6.554 ( 2.338 10.048 3.858) 11.014 7.081 ( -12.495 -2.302 5.189) 13.724 7.354 ( -0.086 2.086 -4.430) 4.898 7.652 ( -14.171 -0.941 -6.490) 15.615 7.820 ( 4.111 1.186 -14.771) 15.378 8.257 ( -8.681 -1.305 1.077) 8.844 8.307 ( -8.690 1.799 -0.529) 8.890 9.033 ( 0.825 -6.062 4.767) 7.756 9.242 ( 0.700 0.916 -1.689) 2.046 10.017 ( 3.047 -2.864 3.802) 5.652 10.218 ( 4.971 -1.893 -4.002) 6.657 11.071 ( 8.387 -1.355 2.588) 8.881 11.279 ( -0.089 -2.620 -4.479) 5.190 11.868 ( -3.867 -1.053 12.336) 12.971 12.330 ( -6.335 0.458 -4.910) 8.028 13.971 ( 2.366 -5.777 1.779) 6.491 14.273 ( 2.814 7.327 -6.687) 10.312 15.208 ( 1.353 2.833 12.985) 13.359 16.000 ( 10.466 -2.210 -8.577) 13.711 ======================= Grid point 550 (166/245) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.000 2.048 16.876) 17.000 1.805 ( 0.000 2.321 24.677) 24.786 1.938 ( -0.000 -5.178 -1.275) 5.332 2.230 ( -0.000 -3.092 12.842) 13.209 2.442 ( 0.000 13.609 19.715) 23.956 2.496 ( -0.000 -1.284 -1.455) 1.940 3.045 ( -0.000 -1.190 -1.638) 2.025 3.453 ( 0.000 2.563 6.851) 7.315 4.069 ( -0.000 -1.061 3.062) 3.241 4.438 ( 0.000 0.362 -8.742) 8.750 4.698 ( 0.000 3.186 -4.135) 5.220 4.765 ( -0.000 -1.400 -18.828) 18.880 5.576 ( -0.000 -6.581 1.941) 6.861 5.768 ( -0.000 -3.708 -3.914) 5.392 6.121 ( 0.000 1.554 3.078) 3.448 6.282 ( 0.000 2.450 -2.389) 3.422 6.373 ( -0.000 -3.001 8.706) 9.209 6.550 ( 0.000 11.776 2.073) 11.957 6.948 ( -0.000 -0.648 6.031) 6.066 7.346 ( -0.000 -1.752 -7.730) 7.926 7.461 ( 0.000 2.507 -2.221) 3.349 7.863 ( 0.000 0.804 -17.589) 17.607 8.182 ( -0.000 -0.837 3.307) 3.412 8.220 ( 0.000 1.178 1.651) 2.028 9.072 ( -0.000 -5.290 5.297) 7.486 9.247 ( 0.000 1.134 -0.142) 1.143 10.063 ( -0.000 -2.968 4.239) 5.174 10.274 ( -0.000 -1.460 -4.410) 4.646 11.160 ( -0.000 -0.085 2.116) 2.117 11.280 ( 0.000 0.063 -1.694) 1.695 11.840 ( -0.000 -2.490 11.311) 11.581 12.259 ( 0.000 0.706 -4.728) 4.781 14.030 ( -0.000 -7.192 1.563) 7.360 14.258 ( 0.000 7.956 -6.503) 10.275 15.207 ( 0.000 2.036 14.340) 14.484 16.119 ( -0.000 -2.021 -12.232) 12.398 ======================= Grid point 553 (167/245) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -9.363 0.000 2.152) 9.607 1.372 ( -13.853 0.000 -5.285) 14.827 2.013 ( 9.132 -0.000 6.007) 10.931 2.397 ( 4.714 -0.000 2.407) 5.293 3.047 ( 8.322 -0.000 0.349) 8.330 3.067 ( 4.146 -0.000 -6.861) 8.017 3.572 ( 8.161 -0.000 -4.952) 9.546 3.613 ( 11.397 -0.000 -6.501) 13.121 4.162 ( -4.500 0.000 6.197) 7.658 4.229 ( -5.571 0.000 1.363) 5.735 4.480 ( 0.916 -0.000 5.573) 5.647 4.921 ( 8.222 -0.000 -1.292) 8.323 5.864 ( -4.097 0.000 6.485) 7.670 6.256 ( 3.201 -0.000 1.782) 3.664 6.330 ( 13.542 -0.000 4.161) 14.167 6.501 ( 7.099 -0.000 3.910) 8.105 6.885 ( 9.132 -0.000 -4.329) 10.106 6.890 ( 0.684 -0.000 -1.257) 1.431 7.275 ( -6.290 0.000 -11.238) 12.879 7.375 ( 9.231 -0.000 -6.262) 11.155 8.061 ( 4.494 -0.000 2.459) 5.122 8.090 ( 10.043 -0.000 1.622) 10.173 8.747 ( -2.754 0.000 2.787) 3.919 8.760 ( 2.395 -0.000 8.418) 8.752 9.384 ( -2.182 0.000 3.973) 4.532 9.453 ( 0.015 -0.000 3.538) 3.538 9.726 ( 5.183 -0.000 -7.447) 9.073 9.762 ( 13.344 -0.000 -7.325) 15.223 10.720 ( -5.969 0.000 6.233) 8.631 11.449 ( 4.196 -0.000 -6.610) 7.830 11.923 ( -3.007 0.000 2.781) 4.096 12.575 ( -0.177 0.000 -7.229) 7.231 13.649 ( -7.307 0.000 2.253) 7.647 13.923 ( -6.569 0.000 -7.720) 10.137 15.092 ( -2.594 0.000 5.483) 6.065 15.263 ( -10.408 0.000 3.836) 11.093 ======================= Grid point 554 (168/245) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -10.037 4.748 -5.916) 12.581 1.050 ( -18.626 -4.917 -8.325) 20.986 2.202 ( 9.973 -0.768 2.457) 10.300 2.476 ( 2.816 -0.900 -2.177) 3.671 3.146 ( 4.722 -0.168 -1.829) 5.066 3.217 ( 8.971 -0.296 0.057) 8.976 3.672 ( -2.228 3.362 -4.304) 5.899 3.716 ( 3.602 -1.902 -5.853) 7.131 4.132 ( 0.211 3.163 0.515) 3.211 4.183 ( 2.788 -4.380 0.519) 5.218 4.591 ( 9.306 -0.401 9.105) 13.025 5.054 ( 5.195 -0.948 -1.755) 5.564 5.730 ( -7.896 1.290 9.377) 12.326 6.277 ( 0.235 0.153 2.031) 2.050 6.529 ( 5.144 4.173 1.465) 6.784 6.598 ( 2.777 -2.780 2.580) 4.701 6.866 ( -1.939 2.920 -1.961) 4.017 6.954 ( -0.930 -3.473 -10.152) 10.770 7.272 ( 5.275 0.471 -3.569) 6.386 7.566 ( 10.032 0.077 -6.498) 11.953 8.146 ( 4.395 -0.570 3.323) 5.540 8.227 ( 4.108 -2.745 0.284) 4.949 8.694 ( -1.466 2.985 5.360) 6.308 8.840 ( 5.836 -0.294 6.810) 8.974 9.199 ( -11.648 -0.152 4.207) 12.386 9.357 ( -6.569 -1.562 0.251) 6.757 9.893 ( 9.544 1.928 -1.949) 9.930 10.180 ( 22.523 -3.268 -7.071) 23.832 10.582 ( -7.967 2.385 9.833) 12.878 11.541 ( 6.282 2.398 -5.287) 8.554 11.847 ( -5.272 -0.253 0.749) 5.331 12.545 ( -2.763 -0.118 -8.662) 9.093 13.546 ( -3.675 -1.040 1.538) 4.117 13.800 ( -6.209 -0.354 -7.057) 9.406 15.042 ( -2.459 0.303 3.766) 4.508 15.105 ( -6.501 -0.355 3.982) 7.632 ======================= Grid point 555 (169/245) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -17.763 2.922 -12.044) 21.659 0.918 ( -0.593 -3.118 -15.184) 15.512 2.377 ( 8.114 0.050 -0.440) 8.126 2.501 ( -0.620 -1.169 -4.070) 4.280 3.233 ( 3.726 0.208 0.847) 3.826 3.358 ( 4.876 -0.079 -0.588) 4.912 3.564 ( -4.236 0.466 -1.201) 4.428 3.736 ( -2.216 1.290 -5.876) 6.411 4.152 ( 1.535 -1.531 -0.154) 2.173 4.280 ( 4.614 1.065 0.377) 4.750 4.770 ( 7.285 -1.435 8.373) 11.191 5.128 ( 2.399 -2.287 -1.775) 3.760 5.593 ( -5.217 2.369 11.293) 12.663 6.281 ( 0.386 0.294 1.636) 1.707 6.483 ( -3.467 4.426 -4.653) 7.298 6.630 ( -3.276 -6.162 0.502) 6.997 6.809 ( -1.238 5.151 -4.299) 6.822 6.974 ( 0.521 -3.600 -4.880) 6.086 7.361 ( 3.354 1.169 -2.400) 4.286 7.723 ( 6.428 0.819 -5.428) 8.453 8.222 ( 2.974 -1.389 4.318) 5.424 8.311 ( 3.577 -4.806 0.758) 6.039 8.649 ( -1.700 5.238 7.283) 9.130 8.911 ( -1.782 0.810 3.972) 4.428 9.050 ( -0.543 2.300 4.981) 5.513 9.303 ( -0.014 -5.198 -3.001) 6.002 10.021 ( 4.966 0.247 1.955) 5.343 10.360 ( -9.609 2.650 5.108) 11.200 10.568 ( 11.238 -2.599 -0.199) 11.536 11.620 ( -0.944 3.636 -18.866) 19.237 11.748 ( -1.697 -0.931 14.659) 14.786 12.493 ( -2.312 -0.270 -9.087) 9.381 13.528 ( 1.241 -1.091 0.506) 1.728 13.715 ( -2.487 -0.008 -6.339) 6.809 15.007 ( -0.739 0.213 2.766) 2.871 15.023 ( -2.434 -0.248 3.367) 4.162 ======================= Grid point 556 (170/245) ======================= q-point: (-0.62 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 6.266 -2.325 -12.024) 13.757 1.013 ( 9.138 0.071 -17.336) 19.597 2.427 ( -3.400 1.844 -2.372) 4.537 2.532 ( 4.395 -0.489 -3.653) 5.736 3.260 ( -0.860 -0.025 1.097) 1.394 3.365 ( -1.507 3.299 -1.366) 3.876 3.573 ( 0.510 -3.596 -2.480) 4.398 3.654 ( -3.387 1.206 -4.192) 5.523 4.150 ( -2.309 -0.309 1.216) 2.628 4.338 ( 2.694 2.194 2.426) 4.238 4.814 ( -3.834 -0.551 7.320) 8.282 5.179 ( 0.863 -2.484 -2.365) 3.537 5.525 ( 0.038 2.195 13.598) 13.774 6.279 ( -0.536 1.087 0.629) 1.365 6.440 ( -0.254 0.657 -4.515) 4.569 6.559 ( -5.933 -5.100 -4.116) 8.840 6.772 ( -0.239 1.412 -4.131) 4.372 6.981 ( -2.193 -3.524 -4.413) 6.058 7.379 ( 0.036 2.938 -1.052) 3.121 7.781 ( 0.381 2.375 -4.306) 4.933 8.258 ( -0.694 -0.893 7.908) 7.988 8.407 ( 3.098 -5.220 2.242) 6.471 8.578 ( -1.678 6.089 3.082) 7.028 8.820 ( -4.900 -1.007 2.615) 5.644 9.110 ( 6.878 5.639 4.245) 9.856 9.393 ( 5.368 -4.403 -3.984) 8.005 10.071 ( -4.329 0.775 4.591) 6.358 10.154 ( -5.503 -1.985 10.322) 11.865 10.669 ( -2.410 -0.561 -6.353) 6.818 11.412 ( -16.205 -2.238 -15.500) 22.536 11.839 ( 7.552 2.051 12.358) 14.628 12.481 ( 0.878 -0.731 -7.895) 7.977 13.596 ( 5.529 0.917 -0.301) 5.612 13.718 ( 2.825 0.141 -6.060) 6.688 15.009 ( 0.936 0.406 2.503) 2.703 15.025 ( 2.654 -0.323 2.554) 3.697 ======================= Grid point 557 (171/245) ======================= q-point: (-0.54 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 18.243 -2.807 -2.870) 18.679 1.229 ( 13.614 1.633 -13.855) 19.493 2.314 ( -6.552 2.732 -0.458) 7.114 2.591 ( 2.235 2.567 -3.776) 5.084 3.203 ( -5.607 2.375 -0.202) 6.093 3.295 ( -4.176 2.401 -1.942) 5.194 3.499 ( -5.371 -1.497 -2.971) 6.318 3.663 ( -1.444 -4.445 -4.757) 6.669 4.123 ( 1.867 2.788 3.870) 5.122 4.357 ( 0.268 1.443 7.269) 7.416 4.667 ( -9.157 2.154 2.996) 9.873 5.139 ( -5.895 -0.009 -2.356) 6.348 5.587 ( 5.674 -1.599 13.417) 14.655 6.225 ( -6.676 -0.686 -0.805) 6.759 6.378 ( -6.258 -4.786 3.505) 8.623 6.512 ( -2.667 -0.421 -9.257) 9.643 6.821 ( 3.984 -4.132 -4.779) 7.469 6.952 ( -0.100 -1.604 -6.043) 6.253 7.342 ( -1.594 5.429 0.085) 5.658 7.712 ( -5.455 4.799 -2.915) 7.828 8.182 ( -7.142 -0.102 10.823) 12.968 8.424 ( -5.485 -3.155 7.021) 9.451 8.569 ( 4.223 4.157 -4.528) 7.457 8.770 ( -1.158 -0.895 -1.222) 1.907 9.235 ( 9.056 3.404 4.726) 10.767 9.514 ( 5.688 -0.073 -1.934) 6.008 9.820 ( -16.230 1.267 8.094) 18.180 10.221 ( 3.573 -8.807 4.638) 10.576 10.498 ( -12.895 6.726 -7.765) 16.487 11.135 ( -15.089 -11.503 -14.101) 23.640 11.962 ( 6.797 3.601 12.145) 14.376 12.521 ( 2.246 -1.298 -5.749) 6.307 13.697 ( 6.009 4.350 -1.411) 7.551 13.819 ( 7.636 -0.834 -5.320) 9.344 15.045 ( 3.221 1.206 2.734) 4.393 15.114 ( 6.405 -0.755 1.939) 6.734 ======================= Grid point 558 (172/245) ======================= q-point: (-0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 14.013 -1.057 2.029) 14.198 1.473 ( 12.604 2.172 -9.117) 15.707 2.169 ( -6.416 5.120 3.199) 8.810 2.589 ( -0.459 5.119 -0.982) 5.233 3.016 ( -10.913 1.669 0.161) 11.041 3.206 ( -4.483 3.604 -2.498) 6.272 3.414 ( -6.219 -3.397 -2.415) 7.486 3.597 ( -6.890 -2.854 -6.168) 9.678 4.195 ( 5.538 3.087 6.780) 9.283 4.339 ( 0.071 -0.003 10.702) 10.702 4.551 ( 0.354 4.742 -3.666) 6.005 4.987 ( -9.333 0.953 -1.732) 9.540 5.681 ( -0.573 -5.889 9.616) 11.290 6.047 ( -10.222 -2.908 2.780) 10.985 6.257 ( -11.954 -5.671 -3.313) 13.640 6.454 ( -1.546 0.161 -2.830) 3.229 6.876 ( 0.016 -5.304 -1.480) 5.507 7.050 ( 6.539 4.423 -2.160) 8.184 7.273 ( -0.917 4.424 -4.626) 6.466 7.545 ( -8.369 6.885 -3.537) 11.400 8.025 ( -9.410 -1.020 9.183) 13.188 8.260 ( -11.466 0.515 6.528) 13.204 8.642 ( 3.848 1.241 -3.770) 5.528 8.766 ( -0.349 -1.720 -3.787) 4.174 9.339 ( -9.537 0.446 6.764) 11.701 9.468 ( -2.169 1.704 6.841) 7.376 9.661 ( 2.804 -1.394 -4.400) 5.401 10.143 ( -13.425 9.047 -11.396) 19.798 10.393 ( 6.072 -7.784 6.139) 11.626 11.012 ( -6.222 -16.811 -12.613) 21.918 12.043 ( 4.059 5.070 13.070) 14.595 12.557 ( 0.280 -1.895 -4.102) 4.528 13.770 ( 4.345 4.152 -1.807) 6.276 13.990 ( 9.990 0.806 -4.754) 11.092 15.108 ( 4.215 2.215 3.592) 5.965 15.269 ( 9.574 -1.097 1.307) 9.725 ======================= Grid point 559 (173/245) ======================= q-point: (-0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 5.995 0.442 5.142) 7.910 1.648 ( 7.269 4.117 -3.091) 8.907 2.034 ( -4.198 6.595 5.252) 9.418 2.514 ( -3.769 6.725 6.247) 9.922 2.838 ( -8.527 -2.228 -0.090) 8.814 3.076 ( -6.905 3.840 -1.712) 8.084 3.274 ( -9.790 -1.903 -1.961) 10.164 3.482 ( -5.111 0.079 -3.569) 6.234 4.262 ( 4.847 0.880 5.831) 7.633 4.406 ( 4.635 3.563 5.037) 7.717 4.612 ( 6.856 2.600 -1.725) 7.533 4.817 ( -6.592 0.784 -2.248) 7.008 5.540 ( -15.814 -9.144 2.797) 18.480 5.910 ( -14.530 -4.757 -3.729) 15.737 6.081 ( -1.818 -4.861 5.581) 7.621 6.454 ( 1.303 2.093 1.779) 3.040 6.834 ( -7.334 4.016 3.417) 9.033 7.033 ( -2.213 5.299 0.501) 5.765 7.274 ( -5.115 4.516 -2.906) 7.416 7.417 ( 3.359 1.172 -12.160) 12.670 7.847 ( -10.272 -1.628 7.058) 12.569 8.040 ( -10.211 1.284 3.752) 10.954 8.660 ( -3.172 -0.961 -1.883) 3.812 8.735 ( -7.247 -2.077 -5.116) 9.111 9.008 ( -12.910 0.038 4.941) 13.824 9.438 ( -9.730 -0.781 -3.736) 10.452 9.758 ( 7.712 -1.456 1.047) 7.918 9.988 ( 2.601 6.737 -7.112) 10.136 10.585 ( 9.657 -7.534 4.806) 13.157 11.048 ( 0.122 -15.075 -10.457) 18.347 12.052 ( -0.211 5.346 13.593) 14.608 12.540 ( -3.381 -2.020 -3.558) 5.308 13.822 ( 3.144 1.999 -0.661) 3.784 14.162 ( 8.905 2.785 -5.029) 10.600 15.174 ( 4.331 3.662 5.480) 7.887 15.480 ( 12.060 -1.701 -0.114) 12.180 ======================= Grid point 560 (174/245) ======================= q-point: (-0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.967 1.709 8.951) 9.164 1.687 ( 1.211 8.613 9.842) 13.134 1.971 ( 0.402 3.021 -0.898) 3.177 2.413 ( -3.553 4.043 11.908) 13.068 2.674 ( -10.592 -3.095 2.135) 11.240 2.908 ( -9.054 4.885 -1.348) 10.376 3.123 ( -6.382 -1.720 0.287) 6.616 3.425 ( 0.253 3.305 1.679) 3.715 4.366 ( 1.502 3.055 2.756) 4.380 4.411 ( 2.368 3.439 0.110) 4.177 4.608 ( -6.908 -1.063 -1.193) 7.090 4.858 ( 8.775 0.438 -3.087) 9.312 5.371 ( -3.828 -8.314 -0.173) 9.155 5.600 ( -17.383 -7.466 -6.047) 19.862 6.160 ( 4.766 -2.223 9.176) 10.577 6.449 ( -1.661 4.005 3.780) 5.752 6.635 ( -7.269 6.927 4.113) 10.851 6.840 ( -12.967 10.150 -2.624) 16.675 7.188 ( -3.471 -2.503 -0.167) 4.283 7.451 ( -3.566 1.340 -3.673) 5.292 7.726 ( -0.672 -0.665 -4.134) 4.241 7.875 ( -7.568 -0.172 -1.569) 7.731 8.458 ( -15.073 -2.291 -0.668) 15.261 8.552 ( -11.199 1.988 -4.896) 12.383 8.936 ( -0.412 -4.006 3.218) 5.155 9.269 ( -5.604 -1.405 -6.013) 8.339 9.902 ( 5.484 -1.881 2.810) 6.442 10.075 ( 6.745 0.115 -3.627) 7.659 10.824 ( 12.095 -4.348 3.578) 13.341 11.149 ( 2.898 -10.169 -7.677) 13.067 11.981 ( -4.596 3.837 13.604) 14.863 12.452 ( -6.771 -1.668 -4.030) 8.054 13.871 ( 2.449 -0.819 0.972) 2.759 14.283 ( 5.767 3.887 -5.520) 8.879 15.227 ( 3.776 5.231 8.297) 10.510 15.730 ( 13.007 -2.675 -3.177) 13.654 ======================= Grid point 561 (175/245) ======================= q-point: (-0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -0.674 3.484 12.376) 12.875 1.695 ( 6.257 5.883 18.627) 20.512 1.971 ( -1.050 0.913 -1.417) 1.986 2.309 ( -7.093 0.066 11.996) 13.936 2.520 ( -6.189 -2.400 2.851) 7.224 2.711 ( -6.589 9.227 7.536) 13.614 3.045 ( -3.037 -1.549 -0.410) 3.434 3.455 ( 4.430 4.225 5.927) 8.521 4.193 ( -12.641 -0.065 4.134) 13.300 4.461 ( 0.028 2.230 -4.015) 4.593 4.589 ( 6.775 2.212 -8.529) 11.114 4.916 ( -5.935 -1.445 -9.152) 11.003 5.396 ( 0.888 -8.540 0.920) 8.635 5.559 ( 9.105 -5.896 -2.263) 11.081 6.217 ( -1.497 1.613 5.020) 5.481 6.350 ( -2.433 1.868 7.509) 8.112 6.472 ( -9.977 6.834 -1.732) 12.216 6.656 ( 2.848 8.915 2.505) 9.688 7.056 ( -10.679 -2.236 4.309) 11.731 7.373 ( -2.856 1.240 -4.801) 5.722 7.642 ( -11.359 -0.828 -4.758) 12.343 7.837 ( 4.071 1.988 -13.618) 14.351 8.245 ( -8.075 -0.970 1.282) 8.233 8.328 ( -9.015 2.172 -1.296) 9.363 8.966 ( 0.260 -6.350 4.632) 7.865 9.237 ( -0.136 -2.025 -3.720) 4.237 9.983 ( 2.017 -3.389 4.088) 5.680 10.194 ( 4.457 -2.584 -3.735) 6.363 11.056 ( 9.862 -1.365 2.550) 10.277 11.244 ( 2.861 -3.799 -3.946) 6.180 11.864 ( -5.608 0.409 13.426) 14.556 12.326 ( -6.578 -1.268 -4.915) 8.308 13.921 ( 1.568 -3.543 2.019) 4.369 14.338 ( 2.628 4.628 -5.983) 8.008 15.254 ( 2.170 5.995 11.222) 12.906 15.968 ( 9.578 -3.808 -7.875) 12.971 ======================= Grid point 562 (176/245) ======================= q-point: (-0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.000 4.127 14.796) 15.361 1.841 ( 0.000 4.404 23.278) 23.691 1.882 ( -0.000 -4.360 2.920) 5.247 2.217 ( 0.000 0.048 7.189) 7.190 2.475 ( -0.000 -2.582 -0.344) 2.605 2.589 ( 0.000 13.528 16.986) 21.715 3.027 ( -0.000 -2.006 -1.430) 2.463 3.490 ( 0.000 4.326 7.481) 8.642 4.054 ( -0.000 -1.858 2.651) 3.238 4.451 ( 0.000 2.270 -6.264) 6.663 4.737 ( 0.000 3.676 -4.345) 5.691 4.744 ( -0.000 -2.385 -18.557) 18.710 5.488 ( -0.000 -9.213 3.027) 9.698 5.719 ( -0.000 -5.312 -3.871) 6.573 6.145 ( 0.000 2.923 3.432) 4.508 6.318 ( 0.000 4.154 -2.496) 4.846 6.362 ( 0.000 0.421 9.810) 9.819 6.675 ( 0.000 11.179 0.360) 11.185 6.939 ( -0.000 -0.933 5.432) 5.512 7.319 ( -0.000 -3.412 -7.536) 8.272 7.499 ( 0.000 4.625 -1.917) 5.006 7.876 ( 0.000 1.882 -17.357) 17.459 8.173 ( -0.000 -0.756 3.698) 3.775 8.234 ( 0.000 1.360 1.272) 1.862 9.005 ( -0.000 -6.951 5.391) 8.797 9.249 ( -0.000 -1.128 -2.151) 2.428 10.022 ( -0.000 -4.379 4.643) 6.382 10.252 ( -0.000 -2.648 -4.175) 4.944 11.159 ( -0.000 -0.149 2.155) 2.160 11.281 ( 0.000 0.109 -1.726) 1.730 11.811 ( -0.000 -2.598 12.845) 13.105 12.261 ( -0.000 -0.554 -5.303) 5.332 13.961 ( -0.000 -5.426 2.127) 5.828 14.335 ( 0.000 5.927 -6.401) 8.724 15.244 ( 0.000 5.111 13.105) 14.066 16.087 ( -0.000 -3.908 -11.096) 11.764 ======================= Grid point 567 (177/245) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -19.731 0.000 -12.101) 23.147 0.900 ( 1.145 -0.000 -15.044) 15.087 2.378 ( 8.882 -0.000 -0.523) 8.897 2.494 ( -0.809 0.000 -3.904) 3.987 3.235 ( 3.908 -0.000 0.816) 3.992 3.357 ( 5.380 -0.000 -0.703) 5.426 3.568 ( -5.426 0.000 -1.029) 5.523 3.743 ( -1.844 0.000 -5.931) 6.211 4.143 ( 1.299 -0.000 -0.331) 1.341 4.286 ( 5.420 -0.000 0.449) 5.438 4.762 ( 7.308 -0.000 8.368) 11.110 5.115 ( 2.288 -0.000 -1.702) 2.852 5.606 ( -5.213 0.000 10.784) 11.978 6.282 ( 0.632 -0.000 1.996) 2.094 6.527 ( -4.679 0.000 -5.396) 7.142 6.574 ( -3.116 0.000 1.694) 3.547 6.852 ( -1.552 0.000 -2.560) 2.994 6.941 ( 0.534 -0.000 -7.556) 7.575 7.369 ( 3.726 -0.000 -1.802) 4.139 7.727 ( 6.575 -0.000 -4.944) 8.227 8.218 ( 3.608 -0.000 3.077) 4.742 8.281 ( 3.343 -0.000 0.915) 3.466 8.679 ( -1.717 0.000 7.488) 7.682 8.913 ( -3.224 0.000 4.742) 5.734 9.068 ( 2.276 -0.000 5.081) 5.568 9.271 ( -0.988 0.000 -2.818) 2.986 10.023 ( 4.308 -0.000 1.152) 4.460 10.373 ( -9.241 0.000 3.365) 9.834 10.554 ( 10.942 -0.000 1.781) 11.086 11.640 ( -2.443 0.000 -19.766) 19.917 11.743 ( -0.700 0.000 15.197) 15.213 12.491 ( -2.399 0.000 -8.986) 9.300 13.522 ( 1.612 -0.000 0.635) 1.732 13.715 ( -2.315 0.000 -6.397) 6.803 15.009 ( -0.924 0.000 2.569) 2.731 15.022 ( -2.230 0.000 3.624) 4.255 ======================= Grid point 568 (178/245) ======================= q-point: (-0.69 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 5.027 -0.858 -12.185) 13.210 1.012 ( 10.007 -0.093 -17.660) 20.298 2.442 ( -4.142 0.828 -3.345) 5.389 2.526 ( 6.298 -0.355 -2.961) 6.969 3.260 ( -0.876 -0.026 1.237) 1.516 3.397 ( -1.030 2.078 -2.583) 3.471 3.539 ( 1.253 -2.186 -1.475) 2.920 3.664 ( -5.493 0.560 -4.151) 6.908 4.149 ( -0.783 0.063 1.203) 1.437 4.354 ( 2.239 0.767 3.188) 3.970 4.809 ( -3.005 -0.327 6.925) 7.556 5.158 ( 1.337 -1.225 -1.566) 2.396 5.545 ( -0.667 1.102 12.391) 12.458 6.292 ( 0.194 1.055 2.293) 2.532 6.449 ( -6.159 1.036 -0.434) 6.260 6.506 ( -1.154 -3.897 -8.812) 9.704 6.803 ( -2.109 2.987 -3.880) 5.332 6.937 ( -2.320 -3.538 -6.819) 8.025 7.406 ( 1.058 1.677 0.231) 1.997 7.795 ( 0.595 0.502 -2.844) 2.949 8.264 ( 0.750 1.562 5.705) 5.962 8.355 ( 2.552 -3.850 2.033) 5.046 8.626 ( -2.153 2.558 3.438) 4.796 8.810 ( -4.769 -0.635 3.659) 6.044 9.172 ( 7.170 4.873 4.126) 9.601 9.339 ( 6.122 -4.507 -2.905) 8.138 10.075 ( 1.094 0.223 2.506) 2.743 10.144 ( -12.937 -0.372 11.004) 16.988 10.662 ( -0.675 -0.497 -6.071) 6.128 11.397 ( -18.606 -0.625 -15.658) 24.325 11.854 ( 7.944 0.790 12.089) 14.487 12.475 ( 0.735 -0.313 -7.431) 7.474 13.603 ( 6.761 0.290 -0.230) 6.771 13.719 ( 2.474 0.067 -6.130) 6.610 15.013 ( 1.481 0.370 1.966) 2.490 15.021 ( 2.189 -0.338 2.912) 3.658 ======================= Grid point 569 (179/245) ======================= q-point: (-0.62 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 19.160 -1.517 -2.660) 19.403 1.241 ( 13.755 0.676 -14.423) 19.942 2.337 ( -5.946 1.489 -1.498) 6.310 2.613 ( 3.142 1.429 -4.181) 5.422 3.227 ( -3.223 2.038 0.420) 3.836 3.308 ( -6.575 0.050 -3.193) 7.309 3.506 ( -5.083 2.863 -2.101) 6.201 3.610 ( -1.932 -5.405 -3.685) 6.821 4.152 ( 3.018 2.368 3.493) 5.189 4.365 ( -1.060 0.184 9.418) 9.479 4.685 ( -7.625 1.282 1.358) 7.850 5.132 ( -5.216 -0.939 -2.048) 5.682 5.580 ( 4.097 -0.027 13.391) 14.003 6.226 ( -9.421 0.949 0.623) 9.489 6.327 ( -4.413 -4.483 2.012) 6.605 6.512 ( -2.895 0.221 -10.545) 10.937 6.787 ( 0.792 -2.288 -3.201) 4.013 6.934 ( 3.182 -1.518 -8.332) 9.047 7.397 ( -0.563 4.338 1.289) 4.560 7.746 ( -5.011 1.663 -1.236) 5.422 8.195 ( -6.729 2.559 9.945) 12.278 8.370 ( -4.674 -5.865 6.109) 9.672 8.617 ( 3.272 4.081 -4.517) 6.911 8.762 ( -1.216 -0.649 -0.709) 1.550 9.283 ( 7.881 5.147 4.510) 10.437 9.490 ( 6.320 -3.936 -1.438) 7.583 9.839 ( -16.860 2.009 10.572) 20.001 10.144 ( 2.722 -5.279 2.849) 6.588 10.560 ( -8.217 4.631 -8.530) 12.717 11.031 ( -20.161 -7.543 -14.812) 26.130 11.993 ( 7.356 2.150 12.623) 14.767 12.509 ( 1.955 -0.867 -4.913) 5.358 13.741 ( 7.047 3.780 -2.081) 8.263 13.804 ( 7.170 -1.938 -4.596) 8.734 15.060 ( 3.866 1.422 1.720) 4.464 15.103 ( 5.999 -1.132 2.204) 6.491 ======================= Grid point 570 (180/245) ======================= q-point: (-0.54 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 14.929 -0.641 1.996) 15.075 1.492 ( 12.861 1.333 -9.831) 16.243 2.217 ( -5.208 3.714 1.944) 6.686 2.632 ( 0.113 2.962 -2.698) 4.008 3.041 ( -12.366 2.795 1.210) 12.736 3.228 ( -4.350 0.123 -0.285) 4.361 3.401 ( -5.004 1.367 -3.167) 6.078 3.559 ( -6.161 -4.268 -5.726) 9.432 4.232 ( 4.360 3.670 7.793) 9.655 4.330 ( 0.594 -1.677 10.913) 11.057 4.601 ( 0.938 4.271 -4.860) 6.538 4.990 ( -9.452 -0.196 -2.032) 9.670 5.627 ( -3.300 -4.139 10.488) 11.748 6.025 ( -8.640 -1.277 3.355) 9.356 6.207 ( -13.298 -3.674 -4.733) 14.586 6.451 ( -0.822 -0.660 -4.424) 4.547 6.824 ( 1.512 -4.235 -0.633) 4.541 7.085 ( 9.774 2.219 -4.852) 11.136 7.330 ( -3.122 5.821 -1.901) 6.873 7.603 ( -8.263 3.720 -1.417) 9.172 8.022 ( -9.991 0.825 9.325) 13.692 8.243 ( -10.695 -3.311 7.917) 13.712 8.665 ( 2.375 3.015 -5.337) 6.574 8.751 ( -0.506 -1.404 -5.532) 5.730 9.351 ( -9.447 1.633 6.549) 11.610 9.489 ( -3.666 2.268 6.375) 7.696 9.636 ( 1.427 -3.352 -1.107) 3.807 10.193 ( -5.167 -0.579 -6.782) 8.546 10.377 ( 0.085 6.322 -1.122) 6.421 10.833 ( -7.120 -16.773 -12.294) 21.981 12.092 ( 4.566 3.984 13.737) 15.015 12.537 ( -0.146 -1.831 -2.944) 3.470 13.810 ( 3.352 3.297 -3.355) 5.776 13.993 ( 10.885 -0.191 -2.849) 11.253 15.136 ( 5.316 2.951 1.912) 6.374 15.252 ( 8.929 -1.985 1.405) 9.254 ======================= Grid point 571 (181/245) ======================= q-point: (-0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 6.866 0.580 4.409) 8.180 1.685 ( 8.589 2.844 -5.410) 10.542 2.105 ( -3.851 6.548 5.383) 9.310 2.573 ( -4.615 4.195 4.110) 7.469 2.820 ( -10.018 -1.005 2.089) 10.282 3.107 ( -7.593 1.453 2.307) 8.068 3.270 ( -8.417 1.616 -3.916) 9.423 3.472 ( -3.602 -1.963 -4.238) 5.898 4.270 ( 4.647 0.680 6.296) 7.855 4.441 ( 6.576 2.923 5.276) 8.923 4.649 ( 5.237 4.112 -2.607) 7.150 4.820 ( -7.059 -0.355 -2.514) 7.501 5.448 ( -15.896 -7.948 3.852) 18.185 5.865 ( -18.419 -3.748 -6.559) 19.908 6.040 ( 1.864 -2.878 7.634) 8.368 6.470 ( 1.971 0.931 0.002) 2.180 6.854 ( -2.068 0.043 2.450) 3.207 7.092 ( -5.153 6.080 4.071) 8.949 7.326 ( -0.400 4.502 -5.387) 7.032 7.435 ( -2.472 2.147 -8.519) 9.127 7.830 ( -10.173 -1.251 7.247) 12.553 8.043 ( -10.774 -0.734 4.848) 11.837 8.632 ( -6.995 -3.592 -3.777) 8.723 8.739 ( -2.839 2.232 -6.962) 7.843 9.018 ( -13.997 1.733 5.241) 15.047 9.415 ( -11.208 -3.298 -3.230) 12.122 9.741 ( 7.888 -1.696 2.747) 8.523 10.059 ( -1.142 6.266 -8.396) 10.538 10.527 ( 11.690 -2.884 3.246) 12.471 10.887 ( 2.267 -15.126 -9.125) 17.810 12.110 ( -0.297 5.209 14.090) 15.025 12.514 ( -3.708 -2.750 -2.181) 5.106 13.845 ( 2.001 2.043 -1.788) 3.372 14.182 ( 9.100 1.147 -2.998) 9.650 15.221 ( 5.938 5.220 3.091) 8.489 15.454 ( 11.108 -3.121 -0.133) 11.539 ======================= Grid point 572 (182/245) ======================= q-point: (-0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 1.942 2.265 7.193) 7.787 1.770 ( 2.944 6.675 3.092) 7.924 2.016 ( -1.385 5.529 2.973) 6.428 2.449 ( -5.857 2.377 10.269) 12.058 2.643 ( -10.574 -2.532 3.624) 11.461 2.945 ( -8.871 1.350 -0.241) 8.976 3.117 ( -5.762 1.340 1.180) 6.032 3.454 ( 1.474 2.026 0.778) 2.623 4.394 ( 5.379 1.999 -0.066) 5.738 4.450 ( -2.462 3.637 1.811) 4.751 4.605 ( -6.431 0.611 0.460) 6.476 4.861 ( 7.840 0.218 -2.752) 8.311 5.287 ( -2.582 -7.347 -0.193) 7.790 5.524 ( -17.528 -6.697 -6.418) 19.830 6.143 ( 6.141 -0.997 9.554) 11.401 6.486 ( -0.721 2.787 2.431) 3.768 6.706 ( -8.148 6.377 4.322) 11.213 6.926 ( -12.178 5.256 0.197) 13.265 7.184 ( -5.590 2.375 -1.106) 6.173 7.460 ( -2.337 0.329 -4.315) 4.918 7.713 ( -1.916 -1.891 -1.429) 3.048 7.872 ( -6.962 -0.367 -1.602) 7.153 8.430 ( -13.570 -2.823 -1.974) 14.000 8.586 ( -10.610 4.284 -5.109) 12.531 8.902 ( -2.102 -2.651 2.764) 4.369 9.235 ( -7.080 -4.720 -6.322) 10.601 9.883 ( 5.247 -1.689 3.111) 6.329 10.079 ( 3.949 0.582 -4.270) 5.845 10.789 ( 14.071 -2.192 2.721) 14.498 11.040 ( 6.206 -10.151 -6.188) 13.410 12.027 ( -5.500 4.690 13.781) 15.561 12.427 ( -7.080 -3.087 -2.743) 8.196 13.870 ( 1.447 0.369 0.328) 1.529 14.311 ( 5.303 1.497 -3.335) 6.441 15.296 ( 5.416 7.604 5.392) 10.781 15.693 ( 11.862 -4.353 -2.983) 12.983 ======================= Grid point 573 (183/245) ======================= q-point: (-0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.774 4.106 10.021) 10.857 1.768 ( 3.632 7.729 12.464) 15.109 1.990 ( -0.944 2.593 1.131) 2.982 2.314 ( -7.730 1.086 10.294) 12.919 2.486 ( -6.745 -3.869 4.178) 8.827 2.789 ( -5.116 4.305 3.086) 7.364 3.037 ( -2.643 0.841 3.660) 4.592 3.501 ( 4.862 4.138 6.111) 8.838 4.191 ( -14.764 -0.185 3.488) 15.172 4.496 ( 1.129 3.979 -2.768) 4.977 4.603 ( 6.366 0.411 -8.205) 10.393 4.901 ( -6.331 -1.488 -7.897) 10.230 5.316 ( 1.451 -6.112 1.323) 6.420 5.495 ( 9.736 -5.991 -2.332) 11.667 6.237 ( 1.901 2.119 6.457) 7.057 6.375 ( -5.243 2.640 6.445) 8.718 6.541 ( -10.515 5.917 -0.960) 12.103 6.737 ( 1.807 6.081 2.415) 6.788 7.040 ( -9.263 -0.469 2.848) 9.702 7.373 ( -6.774 -1.416 -5.591) 8.897 7.637 ( -6.567 -0.046 -1.900) 6.836 7.862 ( 4.570 2.652 -12.426) 13.503 8.237 ( -7.410 -0.491 1.069) 7.502 8.354 ( -9.852 2.670 -2.086) 10.418 8.902 ( -0.531 -5.521 4.055) 6.871 9.200 ( -0.850 -4.956 -5.207) 7.239 9.952 ( 1.531 -2.224 3.804) 4.665 10.164 ( 3.417 -3.200 -3.844) 6.057 11.044 ( 11.035 -0.852 2.270) 11.298 11.202 ( 6.413 -4.018 -3.044) 8.157 11.878 ( -7.375 2.121 13.719) 15.719 12.302 ( -6.969 -3.158 -4.170) 8.714 13.895 ( 0.958 -1.467 1.896) 2.582 14.370 ( 2.146 1.610 -3.901) 4.734 15.334 ( 3.180 8.996 8.153) 12.550 15.919 ( 8.585 -5.488 -6.888) 12.299 ======================= Grid point 574 (184/245) ======================= q-point: (-0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.000 5.499 11.980) 13.182 1.857 ( -0.000 -0.234 3.009) 3.018 1.896 ( 0.000 6.033 21.105) 21.950 2.222 ( 0.000 0.752 4.756) 4.815 2.441 ( -0.000 -3.863 1.465) 4.132 2.712 ( 0.000 8.701 11.500) 14.420 3.010 ( -0.000 -0.599 1.275) 1.409 3.541 ( 0.000 5.085 8.480) 9.888 4.032 ( -0.000 -2.206 2.065) 3.022 4.486 ( 0.000 4.248 -4.017) 5.847 4.717 ( -0.000 -2.736 -18.226) 18.431 4.767 ( 0.000 1.751 -3.611) 4.013 5.397 ( -0.000 -7.367 3.904) 8.337 5.661 ( -0.000 -5.442 -3.969) 6.736 6.181 ( 0.000 3.891 3.945) 5.541 6.366 ( 0.000 4.569 -2.378) 5.151 6.374 ( 0.000 1.544 10.148) 10.265 6.776 ( 0.000 7.745 0.412) 7.756 6.931 ( -0.000 -0.461 4.264) 4.289 7.275 ( -0.000 -4.868 -7.170) 8.667 7.556 ( 0.000 5.897 -1.533) 6.093 7.903 ( 0.000 3.129 -17.079) 17.364 8.167 ( -0.000 -0.515 4.067) 4.100 8.248 ( 0.000 1.242 0.910) 1.539 8.932 ( -0.000 -6.754 4.991) 8.398 9.220 ( -0.000 -4.236 -4.085) 5.885 9.980 ( -0.000 -3.385 4.557) 5.677 10.218 ( -0.000 -3.831 -4.180) 5.670 11.157 ( -0.000 -0.176 2.208) 2.215 11.282 ( 0.000 0.128 -1.770) 1.775 11.791 ( -0.000 -0.993 13.962) 13.998 12.244 ( -0.000 -2.740 -5.182) 5.861 13.917 ( -0.000 -2.962 2.394) 3.809 14.379 ( 0.000 2.531 -4.846) 5.467 15.317 ( 0.000 8.552 10.377) 13.447 16.036 ( -0.000 -5.638 -9.569) 11.106 ======================= Grid point 581 (185/245) ======================= q-point: (-0.69 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 19.503 -0.000 -2.593) 19.675 1.244 ( 13.833 -0.000 -14.608) 20.118 2.345 ( -5.723 0.000 -1.900) 6.030 2.621 ( 3.441 -0.000 -4.350) 5.547 3.240 ( -0.803 0.000 0.870) 1.184 3.305 ( -9.580 0.000 -3.713) 10.274 3.549 ( -6.186 0.000 -2.298) 6.599 3.555 ( -0.287 0.000 -2.875) 2.889 4.166 ( 3.502 -0.000 3.186) 4.735 4.365 ( -1.717 0.000 10.324) 10.466 4.692 ( -6.946 0.000 0.740) 6.985 5.126 ( -4.889 0.000 -1.805) 5.211 5.581 ( 3.394 -0.000 13.236) 13.664 6.236 ( -13.158 0.000 2.044) 13.316 6.297 ( -0.702 0.000 0.632) 0.945 6.513 ( -3.145 0.000 -11.083) 11.520 6.774 ( -0.907 0.000 -2.600) 2.754 6.925 ( 4.880 -0.000 -9.015) 10.251 7.422 ( -0.186 0.000 1.562) 1.573 7.753 ( -4.948 0.000 -0.261) 4.955 8.218 ( -6.737 0.000 9.333) 11.510 8.329 ( -4.332 0.000 5.556) 7.045 8.641 ( 3.271 -0.000 -4.729) 5.750 8.758 ( -1.427 0.000 -0.052) 1.428 9.320 ( 7.061 -0.000 4.555) 8.403 9.459 ( 6.802 -0.000 -1.156) 6.900 9.852 ( -17.203 0.000 11.812) 20.868 10.115 ( 2.600 -0.000 1.470) 2.986 10.586 ( -5.276 0.000 -8.564) 10.059 10.988 ( -23.205 0.000 -15.194) 27.737 12.005 ( 7.574 -0.000 12.753) 14.833 12.504 ( 1.832 -0.000 -4.602) 4.953 13.772 ( 10.756 -0.000 -0.790) 10.785 13.782 ( 3.650 -0.000 -5.845) 6.891 15.070 ( 4.226 -0.000 0.708) 4.285 15.095 ( 5.735 -0.000 2.936) 6.443 ======================= Grid point 583 (186/245) ======================= q-point: (-0.62 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 15.424 -0.216 1.986) 15.553 1.501 ( 13.065 0.449 -10.182) 16.570 2.244 ( -4.422 1.358 1.147) 4.766 2.652 ( 0.101 0.911 -3.764) 3.874 3.067 ( -13.781 1.731 1.658) 13.988 3.217 ( -3.298 -1.262 1.683) 3.912 3.435 ( -4.436 3.993 -4.407) 7.419 3.511 ( -5.887 -4.291 -5.079) 8.881 4.271 ( 2.780 3.588 9.107) 10.175 4.305 ( 1.830 -2.869 9.965) 10.530 4.634 ( 1.531 1.764 -5.293) 5.785 4.986 ( -9.495 -0.351 -2.215) 9.756 5.597 ( -5.167 -1.457 11.087) 12.319 6.017 ( -7.426 -0.313 3.803) 8.349 6.181 ( -14.303 -1.264 -5.614) 15.417 6.444 ( -0.406 -0.403 -5.372) 5.402 6.792 ( 2.221 -1.571 -0.047) 2.720 7.099 ( 11.171 0.647 -6.254) 12.819 7.381 ( -3.662 2.925 -0.854) 4.764 7.624 ( -8.318 0.511 0.816) 8.373 8.040 ( -10.726 1.817 8.127) 13.580 8.204 ( -9.399 -2.921 8.471) 12.986 8.700 ( -0.263 3.228 -5.402) 6.299 8.732 ( 0.775 -2.234 -6.365) 6.790 9.368 ( -10.668 1.093 6.656) 12.621 9.515 ( -2.483 2.165 2.488) 4.128 9.597 ( -0.427 -3.146 4.478) 5.489 10.172 ( 1.097 -1.643 -3.022) 3.610 10.488 ( -2.849 12.143 -7.158) 14.381 10.664 ( -9.367 -14.385 -11.861) 20.865 12.122 ( 4.957 1.543 14.016) 14.946 12.522 ( -0.517 -0.783 -2.316) 2.499 13.836 ( 2.490 1.340 -4.644) 5.436 13.990 ( 11.647 -0.300 -1.252) 11.718 15.165 ( 6.373 2.065 -0.072) 6.700 15.231 ( 8.170 -1.682 2.451) 8.694 ======================= Grid point 584 (187/245) ======================= q-point: (-0.54 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 7.567 0.392 3.939) 8.540 1.708 ( 9.179 1.446 -6.806) 11.518 2.164 ( -2.859 4.217 5.248) 7.314 2.601 ( -5.537 1.233 1.549) 5.881 2.817 ( -11.276 0.349 4.572) 12.173 3.108 ( -8.638 -0.779 5.375) 10.204 3.307 ( -7.555 4.680 -5.261) 10.327 3.442 ( -1.930 -3.618 -4.888) 6.380 4.276 ( 4.314 0.351 6.639) 7.925 4.465 ( 8.316 1.645 5.323) 10.010 4.694 ( 4.929 4.099 -3.085) 7.115 4.810 ( -8.042 -1.507 -2.995) 8.713 5.379 ( -16.094 -4.730 4.948) 17.490 5.833 ( -20.923 -2.162 -8.223) 22.585 6.019 ( 4.083 -1.166 8.635) 9.623 6.476 ( 2.496 0.219 -1.189) 2.773 6.847 ( 1.297 -0.965 2.198) 2.728 7.153 ( -7.889 4.699 6.100) 11.024 7.362 ( 5.104 2.380 -9.356) 10.920 7.454 ( -7.593 0.975 -2.489) 8.050 7.826 ( -10.779 0.459 6.092) 12.390 8.027 ( -10.405 -2.003 5.328) 11.860 8.600 ( -8.935 -2.151 -4.383) 10.182 8.765 ( -0.337 2.107 -8.099) 8.375 9.040 ( -14.997 1.957 4.626) 15.815 9.376 ( -13.299 -3.410 -2.529) 13.960 9.725 ( 8.481 -1.142 4.183) 9.526 10.113 ( -3.134 3.532 -8.598) 9.809 10.532 ( 11.569 3.887 0.017) 12.205 10.734 ( 5.088 -13.484 -7.017) 16.029 12.157 ( -0.198 3.447 14.310) 14.721 12.487 ( -4.139 -2.154 -1.261) 4.833 13.863 ( 1.274 1.291 -2.657) 3.217 14.189 ( 9.121 0.224 -1.252) 9.210 15.280 ( 7.704 5.456 0.296) 9.445 15.415 ( 9.873 -4.103 0.861) 10.727 ======================= Grid point 585 (188/245) ======================= q-point: (-0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 2.873 1.955 5.721) 6.694 1.823 ( 4.480 3.368 -2.857) 6.291 2.084 ( -2.429 6.691 6.925) 9.931 2.459 ( -7.713 -0.547 7.928) 11.075 2.627 ( -10.366 -0.331 5.122) 11.567 2.934 ( -10.047 -2.678 2.469) 10.687 3.152 ( -5.260 4.346 0.812) 6.872 3.466 ( 3.017 0.401 -0.023) 3.044 4.408 ( 7.792 0.686 -1.533) 7.971 4.484 ( -7.235 2.643 0.936) 7.759 4.620 ( -5.403 1.968 3.092) 6.529 4.862 ( 7.440 -0.101 -2.072) 7.724 5.220 ( -0.423 -5.003 -0.326) 5.031 5.463 ( -18.044 -4.761 -6.822) 19.869 6.137 ( 7.148 -0.254 9.607) 11.977 6.508 ( 0.140 1.348 1.225) 1.827 6.768 ( -8.181 5.218 4.280) 10.606 6.948 ( -11.569 -0.364 3.967) 12.236 7.237 ( -7.724 6.682 -2.616) 10.543 7.458 ( -2.358 -0.675 -4.930) 5.506 7.687 ( -3.914 -2.897 1.510) 5.098 7.869 ( -5.025 -0.267 -2.437) 5.591 8.404 ( -11.481 -1.910 -2.451) 11.894 8.636 ( -10.987 4.774 -6.039) 13.416 8.879 ( -3.895 -1.588 2.440) 4.863 9.178 ( -7.678 -5.652 -5.924) 11.224 9.868 ( 5.523 -1.105 3.139) 6.448 10.086 ( 1.113 0.676 -5.213) 5.373 10.780 ( 14.813 0.540 1.302) 14.880 10.939 ( 9.740 -8.654 -4.347) 13.736 12.075 ( -6.127 4.249 13.677) 15.578 12.391 ( -7.412 -3.320 -1.573) 8.272 13.876 ( 0.797 0.689 -0.283) 1.091 14.318 ( 4.839 0.166 -1.155) 4.978 15.384 ( 7.067 8.724 2.231) 11.447 15.638 ( 10.632 -6.062 -2.179) 12.431 ======================= Grid point 586 (189/245) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 1.918 3.837 7.815) 8.915 1.848 ( 2.197 6.590 4.398) 8.222 2.026 ( -0.814 4.384 5.619) 7.173 2.330 ( -6.840 1.360 8.377) 10.900 2.445 ( -8.112 -3.411 6.473) 10.924 2.791 ( -6.091 -3.402 -0.932) 7.039 3.070 ( -1.417 4.807 7.399) 8.936 3.539 ( 5.551 3.060 6.240) 8.895 4.190 ( -16.407 -0.035 2.615) 16.614 4.537 ( 2.636 3.350 -2.869) 5.139 4.602 ( 4.675 -0.233 -6.170) 7.745 4.885 ( -7.242 -1.554 -6.885) 10.113 5.272 ( 2.960 -2.150 1.184) 3.846 5.434 ( 10.618 -5.576 -2.233) 12.199 6.260 ( 4.893 2.093 7.428) 9.138 6.402 ( -7.715 2.370 5.368) 9.693 6.593 ( -10.730 3.695 0.477) 11.359 6.782 ( 0.385 2.495 3.487) 4.305 7.053 ( -8.839 3.252 0.396) 9.427 7.341 ( -10.681 -4.619 -5.719) 12.966 7.640 ( -1.091 0.653 0.722) 1.462 7.891 ( 5.317 2.670 -11.312) 12.781 8.235 ( -6.868 -0.002 0.468) 6.884 8.383 ( -11.260 2.802 -2.737) 11.921 8.851 ( -1.207 -4.038 3.325) 5.368 9.140 ( -1.140 -5.932 -6.057) 8.554 9.937 ( 1.692 -0.631 2.904) 3.420 10.128 ( 1.962 -3.359 -4.203) 5.727 11.038 ( 11.471 -0.246 1.797) 11.613 11.163 ( 9.895 -3.319 -2.053) 10.637 11.906 ( -8.760 3.045 13.498) 16.377 12.263 ( -7.379 -4.012 -3.084) 8.947 13.887 ( 0.537 -0.235 1.547) 1.655 14.377 ( 1.711 -0.118 -1.429) 2.232 15.440 ( 4.131 10.626 4.756) 12.353 15.852 ( 7.648 -7.166 -5.677) 11.919 ======================= Grid point 587 (190/245) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.000 5.492 9.195) 10.710 1.873 ( 0.000 2.837 0.696) 2.921 1.966 ( 0.000 6.995 18.332) 19.621 2.235 ( 0.000 1.965 4.611) 5.012 2.394 ( -0.000 -4.980 3.902) 6.326 2.752 ( -0.000 -1.436 2.712) 3.069 3.031 ( 0.000 4.747 7.595) 8.956 3.594 ( 0.000 4.857 9.633) 10.788 4.009 ( -0.000 -2.041 1.432) 2.494 4.536 ( 0.000 4.794 -2.505) 5.409 4.689 ( -0.000 -2.454 -17.929) 18.097 4.770 ( -0.000 -1.096 -1.965) 2.250 5.343 ( -0.000 -2.700 3.837) 4.691 5.604 ( -0.000 -5.296 -3.731) 6.479 6.225 ( 0.000 4.222 4.538) 6.199 6.391 ( 0.000 1.520 10.026) 10.140 6.410 ( 0.000 3.499 -1.792) 3.932 6.837 ( 0.000 3.835 1.864) 4.264 6.933 ( 0.000 1.056 2.359) 2.585 7.217 ( -0.000 -5.972 -6.577) 8.884 7.619 ( 0.000 5.906 -1.098) 6.008 7.941 ( 0.000 3.822 -16.763) 17.193 8.162 ( -0.000 -0.294 4.350) 4.359 8.260 ( 0.000 0.976 0.625) 1.159 8.866 ( -0.000 -5.403 4.173) 6.826 9.164 ( -0.000 -6.029 -5.466) 8.138 9.955 ( -0.000 -1.219 3.568) 3.771 10.172 ( -0.000 -4.664 -4.317) 6.355 11.155 ( -0.000 -0.162 2.264) 2.270 11.283 ( 0.000 0.117 -1.816) 1.820 11.791 ( 0.000 0.868 14.351) 14.378 12.206 ( -0.000 -4.254 -4.412) 6.129 13.897 ( -0.000 -1.108 2.258) 2.515 14.392 ( 0.000 0.142 -2.340) 2.345 15.421 ( 0.000 10.861 6.878) 12.855 15.968 ( -0.000 -7.247 -7.908) 10.726 ======================= Grid point 596 (191/245) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 7.835 -0.000 3.778) 8.699 1.715 ( 9.334 -0.000 -7.263) 11.827 2.187 ( -2.303 0.000 5.162) 5.652 2.606 ( -6.070 0.000 0.487) 6.090 2.820 ( -11.693 0.000 5.560) 12.947 3.102 ( -8.961 0.000 6.172) 10.880 3.344 ( -9.240 0.000 -5.097) 10.553 3.412 ( 0.600 -0.000 -5.425) 5.458 4.278 ( 4.151 -0.000 6.758) 7.931 4.474 ( 9.010 -0.000 5.312) 10.459 4.721 ( 6.389 -0.000 -3.127) 7.113 4.797 ( -9.885 0.000 -3.358) 10.439 5.353 ( -16.228 0.000 5.454) 17.120 5.821 ( -21.706 0.000 -8.702) 23.386 6.013 ( 4.734 -0.000 8.850) 10.037 6.477 ( 2.695 -0.000 -1.605) 3.137 6.841 ( 2.262 -0.000 2.229) 3.176 7.180 ( -8.670 0.000 6.712) 10.965 7.376 ( 6.778 -0.000 -11.487) 13.338 7.457 ( -8.945 0.000 0.779) 8.979 7.831 ( -11.410 0.000 5.243) 12.557 8.013 ( -9.928 0.000 5.413) 11.308 8.589 ( -9.530 0.000 -4.414) 10.502 8.776 ( 0.479 -0.000 -8.462) 8.475 9.052 ( -15.351 0.000 4.162) 15.905 9.356 ( -14.291 0.000 -2.112) 14.446 9.719 ( 8.791 -0.000 4.721) 9.979 10.131 ( -3.389 0.000 -8.314) 8.979 10.599 ( 9.375 -0.000 -3.794) 10.113 10.616 ( 7.837 -0.000 -4.021) 8.809 12.176 ( -0.088 0.000 14.423) 14.423 12.474 ( -4.375 0.000 -0.990) 4.486 13.870 ( 1.016 -0.000 -2.998) 3.165 14.190 ( 9.123 -0.000 -0.561) 9.140 15.319 ( 9.232 -0.000 -2.824) 9.655 15.383 ( 8.544 -0.000 3.325) 9.169 ======================= Grid point 598 (192/245) ======================= q-point: (-0.54 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 3.478 0.777 4.877) 6.040 1.845 ( 4.910 0.928 -5.422) 7.373 2.142 ( -2.031 3.360 8.618) 9.470 2.445 ( -9.287 -1.249 6.522) 11.417 2.631 ( -9.706 0.610 5.343) 11.097 2.906 ( -11.257 -1.732 4.592) 12.281 3.190 ( -5.511 2.229 0.686) 5.984 3.466 ( 4.353 -0.213 -0.595) 4.399 4.411 ( 8.550 0.085 -1.878) 8.754 4.503 ( -10.137 0.969 -0.625) 10.203 4.638 ( -4.534 1.106 5.159) 6.957 4.860 ( 7.368 -0.158 -1.513) 7.524 5.184 ( 1.475 -1.750 -0.468) 2.336 5.428 ( -18.588 -1.759 -7.113) 19.980 6.136 ( 7.678 -0.010 9.531) 12.239 6.516 ( 0.555 0.342 0.560) 0.860 6.811 ( -6.560 2.465 3.404) 7.790 6.936 ( -13.452 -1.157 6.724) 15.083 7.299 ( -7.322 3.927 -2.759) 8.755 7.448 ( -3.657 -0.846 -6.285) 7.321 7.659 ( -5.574 -1.684 4.154) 7.153 7.867 ( -3.116 -0.068 -3.371) 4.591 8.390 ( -10.194 -0.625 -2.555) 10.528 8.677 ( -11.441 2.313 -7.055) 13.639 8.868 ( -5.202 -0.578 2.639) 5.861 9.130 ( -7.503 -2.697 -5.541) 9.709 9.860 ( 5.827 -0.387 3.089) 6.606 10.092 ( -0.722 0.298 -5.910) 5.962 10.799 ( 13.644 2.833 -0.528) 13.945 10.861 ( 13.317 -5.653 -2.282) 14.646 12.110 ( -6.419 1.892 13.699) 15.246 12.363 ( -7.648 -1.591 -1.033) 7.880 13.882 ( 0.475 0.318 -0.659) 0.872 14.318 ( 4.592 -0.086 0.146) 4.595 15.475 ( 8.793 8.271 -1.213) 12.133 15.566 ( 9.125 -7.258 -0.035) 11.659 ======================= Grid point 599 (193/245) ======================= q-point: (-0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 2.621 2.420 6.196) 7.150 1.897 ( 1.862 2.564 -2.329) 3.933 2.082 ( -1.071 5.726 9.997) 11.570 2.325 ( -4.538 -2.548 7.508) 9.136 2.433 ( -10.015 1.359 7.183) 12.399 2.739 ( -7.572 -5.173 -0.815) 9.207 3.120 ( -0.852 3.806 7.711) 8.641 3.564 ( 6.310 1.507 6.280) 9.029 4.191 ( -17.460 0.106 1.938) 17.568 4.557 ( 5.725 0.513 -6.033) 8.333 4.606 ( 1.105 0.953 -1.320) 1.967 4.870 ( -8.313 -1.127 -6.376) 10.537 5.268 ( 4.691 1.143 0.681) 4.876 5.379 ( 11.323 -4.569 -1.842) 12.349 6.279 ( 7.069 1.372 7.883) 10.677 6.422 ( -9.378 1.288 4.538) 10.497 6.621 ( -11.522 1.706 2.004) 11.818 6.794 ( 0.445 0.083 4.536) 4.558 7.107 ( -9.464 6.417 -2.193) 11.642 7.280 ( -13.105 -6.668 -4.746) 15.451 7.647 ( 2.787 0.584 2.191) 3.593 7.915 ( 5.880 1.695 -10.424) 12.088 8.236 ( -6.549 0.209 -0.250) 6.557 8.409 ( -12.777 1.904 -3.042) 13.271 8.818 ( -1.516 -2.097 2.744) 3.772 9.084 ( -1.032 -4.074 -6.596) 7.821 9.936 ( 2.244 0.195 2.050) 3.046 10.097 ( 0.507 -2.345 -4.591) 5.180 11.037 ( 11.156 0.097 1.297) 11.231 11.134 ( 12.728 -1.930 -1.241) 12.933 11.937 ( -9.650 2.482 13.261) 16.587 12.224 ( -7.640 -3.064 -2.267) 8.538 13.887 ( 0.293 0.141 1.217) 1.260 14.373 ( 1.457 -0.450 0.384) 1.573 15.554 ( 4.902 10.762 2.025) 11.998 15.768 ( 6.860 -8.681 -4.430) 11.918 ======================= Grid point 600 (194/245) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.000 4.123 7.029) 8.149 1.904 ( 0.000 2.516 -1.805) 3.096 2.041 ( 0.000 6.876 15.127) 16.617 2.269 ( 0.000 4.502 5.135) 6.829 2.338 ( -0.000 -5.465 6.867) 8.776 2.701 ( -0.000 -6.868 -1.340) 6.997 3.091 ( 0.000 5.497 9.919) 11.340 3.640 ( 0.000 3.578 10.595) 11.182 3.990 ( -0.000 -1.426 0.899) 1.685 4.582 ( 0.000 3.773 -1.888) 4.219 4.667 ( -0.000 -1.677 -17.719) 17.798 4.748 ( -0.000 -2.621 0.161) 2.625 5.339 ( 0.000 1.792 2.786) 3.312 5.548 ( -0.000 -5.230 -2.820) 5.942 6.267 ( 0.000 3.582 5.140) 6.265 6.405 ( 0.000 1.077 9.646) 9.706 6.437 ( 0.000 1.559 -0.883) 1.792 6.862 ( 0.000 1.185 3.668) 3.855 6.955 ( 0.000 3.236 -0.132) 3.239 7.150 ( -0.000 -6.463 -5.674) 8.600 7.675 ( 0.000 4.467 -0.620) 4.510 7.979 ( 0.000 3.153 -16.383) 16.684 8.160 ( -0.000 -0.138 4.532) 4.534 8.268 ( 0.000 0.619 0.433) 0.756 8.820 ( -0.000 -3.305 3.210) 4.608 9.102 ( -0.000 -5.287 -6.415) 8.313 9.952 ( 0.000 0.459 2.230) 2.277 10.123 ( -0.000 -4.337 -4.415) 6.189 11.154 ( -0.000 -0.113 2.309) 2.312 11.284 ( 0.000 0.081 -1.853) 1.855 11.806 ( 0.000 1.820 14.288) 14.404 12.160 ( -0.000 -4.123 -3.520) 5.421 13.891 ( -0.000 -0.171 1.971) 1.979 14.388 ( -0.000 -0.655 -0.114) 0.665 15.541 ( 0.000 11.535 3.762) 12.133 15.884 ( -0.000 -8.699 -6.336) 10.761 ======================= Grid point 611 (195/245) ======================= q-point: (-0.54 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 2.865 -0.000 5.587) 6.279 1.909 ( 1.787 -0.000 -3.993) 4.374 2.120 ( -1.058 0.000 10.648) 10.700 2.303 ( -4.472 0.000 8.489) 9.594 2.447 ( -9.653 0.000 6.017) 11.375 2.707 ( -8.456 0.000 -0.075) 8.456 3.141 ( -0.780 0.000 7.502) 7.542 3.572 ( 6.660 -0.000 6.283) 9.156 4.191 ( -17.831 0.000 1.684) 17.910 4.558 ( 6.662 -0.000 -7.104) 9.739 4.613 ( -0.059 0.000 0.433) 0.438 4.863 ( -8.774 0.000 -6.247) 10.770 5.280 ( 5.028 -0.000 0.353) 5.040 5.349 ( 11.995 -0.000 -1.555) 12.095 6.286 ( 7.916 -0.000 7.995) 11.251 6.429 ( -9.960 0.000 4.219) 10.817 6.630 ( -12.224 0.000 2.670) 12.512 6.793 ( 0.974 -0.000 4.836) 4.933 7.163 ( -8.230 0.000 -4.302) 9.287 7.223 ( -15.538 0.000 -3.053) 15.835 7.651 ( 4.132 -0.000 2.631) 4.899 7.924 ( 6.073 -0.000 -10.065) 11.756 8.237 ( -6.446 0.000 -0.587) 6.472 8.420 ( -13.476 0.000 -3.085) 13.825 8.807 ( -1.560 0.000 2.524) 2.967 9.061 ( -0.911 0.000 -6.826) 6.886 9.937 ( 2.608 -0.000 1.745) 3.138 10.083 ( -0.185 0.000 -4.778) 4.782 11.038 ( 10.793 -0.000 1.058) 10.845 11.124 ( 13.951 -0.000 -0.901) 13.980 11.951 ( -9.982 0.000 13.231) 16.573 12.206 ( -7.703 0.000 -2.033) 7.966 13.888 ( 0.213 -0.000 1.084) 1.105 14.370 ( 1.379 -0.000 1.034) 1.723 15.651 ( 4.541 -0.000 5.029) 6.776 15.682 ( 7.209 -0.000 -7.942) 10.726 ======================= Grid point 613 (196/245) ======================= q-point: (-0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.000 1.566 5.829) 6.036 1.921 ( 0.000 0.716 -2.877) 2.965 2.102 ( 0.000 3.847 11.914) 12.519 2.287 ( -0.000 -3.341 9.961) 10.506 2.318 ( 0.000 3.573 5.171) 6.285 2.633 ( -0.000 -4.462 -2.081) 4.924 3.134 ( 0.000 2.151 9.775) 10.009 3.666 ( 0.000 1.332 11.112) 11.192 3.980 ( -0.000 -0.510 0.594) 0.783 4.611 ( 0.000 1.575 -2.177) 2.688 4.654 ( -0.000 -0.593 -17.613) 17.623 4.724 ( -0.000 -1.477 2.026) 2.507 5.367 ( 0.000 2.479 1.437) 2.865 5.499 ( -0.000 -3.299 -1.543) 3.642 6.296 ( 0.000 1.514 5.604) 5.805 6.413 ( 0.000 0.397 9.303) 9.311 6.445 ( 0.000 0.234 -0.271) 0.358 6.868 ( 0.000 0.157 4.847) 4.849 6.997 ( 0.000 3.971 -2.571) 4.731 7.086 ( -0.000 -5.043 -4.345) 6.656 7.709 ( 0.000 1.691 -0.260) 1.711 8.003 ( 0.000 1.201 -16.081) 16.126 8.159 ( -0.000 -0.039 4.620) 4.620 8.273 ( 0.000 0.212 0.337) 0.398 8.797 ( -0.000 -1.053 2.533) 2.743 9.061 ( -0.000 -2.122 -6.981) 7.297 9.959 ( 0.000 0.621 1.389) 1.521 10.087 ( -0.000 -1.994 -4.490) 4.912 11.153 ( -0.000 -0.040 2.334) 2.335 11.285 ( 0.000 0.029 -1.874) 1.874 11.823 ( 0.000 1.002 14.203) 14.238 12.127 ( -0.000 -1.811 -3.020) 3.521 13.890 ( 0.000 0.035 1.763) 1.764 14.382 ( -0.000 -0.344 1.126) 1.177 15.659 ( 0.000 10.147 2.657) 10.489 15.787 ( -0.000 -9.091 -6.045) 10.917 ======================= Grid point 700 (197/245) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.000 0.000 14.285) 14.285 1.783 ( 0.000 0.000 -11.842) 11.842 2.193 ( 0.000 0.000 16.588) 16.588 2.419 ( 0.000 0.000 -7.563) 7.563 2.552 ( 0.000 0.000 10.368) 10.368 2.627 ( 0.000 0.000 5.188) 5.188 3.116 ( 0.000 0.000 11.460) 11.460 3.395 ( 0.000 0.000 -12.084) 12.084 4.190 ( 0.000 0.000 9.362) 9.362 4.397 ( 0.000 0.000 5.999) 5.999 4.434 ( 0.000 0.000 -15.946) 15.946 4.560 ( 0.000 0.000 -8.591) 8.591 5.648 ( 0.000 0.000 2.352) 2.352 5.708 ( 0.000 0.000 -3.974) 3.974 6.168 ( 0.000 0.000 2.877) 2.877 6.221 ( 0.000 0.000 -2.683) 2.683 6.536 ( 0.000 0.000 3.967) 3.967 6.544 ( 0.000 0.000 3.738) 3.738 7.075 ( 0.000 0.000 6.835) 6.835 7.211 ( 0.000 0.000 -7.402) 7.402 7.427 ( 0.000 0.000 1.645) 1.645 7.558 ( 0.000 0.000 -12.378) 12.378 8.230 ( 0.000 0.000 1.261) 1.261 8.236 ( 0.000 0.000 0.521) 0.521 9.187 ( 0.000 0.000 3.549) 3.549 9.234 ( 0.000 0.000 -1.315) 1.315 10.149 ( 0.000 0.000 3.321) 3.321 10.210 ( 0.000 0.000 -3.260) 3.260 11.202 ( 0.000 0.000 2.231) 2.231 11.244 ( 0.000 0.000 -2.065) 2.065 12.039 ( 0.000 0.000 8.378) 8.378 12.167 ( 0.000 0.000 -5.301) 5.301 14.084 ( 0.000 0.000 -0.786) 0.786 14.099 ( 0.000 0.000 -2.959) 2.959 15.520 ( 0.000 0.000 18.104) 18.104 15.852 ( 0.000 0.000 -16.358) 16.358 ======================= Grid point 701 (198/245) ======================= q-point: ( 0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -0.036 0.007 12.992) 12.992 1.757 ( -2.824 0.362 -9.504) 9.922 2.118 ( -5.410 -0.692 19.437) 20.188 2.429 ( -0.020 -0.217 -11.629) 11.631 2.613 ( 3.456 3.138 8.007) 9.269 2.659 ( 5.539 -2.755 3.133) 6.934 3.134 ( 1.880 -1.390 10.086) 10.353 3.357 ( -3.376 -1.731 -9.354) 10.094 4.258 ( 5.023 -0.150 2.831) 5.768 4.360 ( -3.395 -0.414 -7.713) 8.437 4.504 ( 10.596 -0.611 9.995) 14.579 4.729 ( 10.545 -0.108 -11.819) 15.840 5.556 ( -4.836 2.612 1.066) 5.599 5.593 ( -8.022 1.680 -2.789) 8.657 6.250 ( 7.060 -0.944 2.852) 7.672 6.302 ( 7.117 -1.556 -2.611) 7.739 6.515 ( -1.062 0.370 5.879) 5.986 6.551 ( -0.340 -3.378 2.498) 4.215 7.197 ( 9.773 1.550 3.963) 10.659 7.257 ( 1.986 -0.658 -3.269) 3.881 7.541 ( 11.252 0.078 -4.281) 12.039 7.567 ( 2.718 -1.625 -7.996) 8.600 8.290 ( 7.050 0.331 0.969) 7.124 8.299 ( 6.849 -0.323 0.166) 6.859 9.161 ( -2.028 2.146 3.413) 4.514 9.211 ( -2.160 0.508 -1.720) 2.808 10.103 ( -4.613 0.780 3.223) 5.681 10.163 ( -4.887 0.594 -3.227) 5.886 11.137 ( -6.025 0.582 3.326) 6.906 11.209 ( -3.077 0.724 -4.318) 5.351 12.085 ( 4.354 -0.027 9.531) 10.478 12.230 ( 5.768 -0.256 -5.838) 8.211 14.043 ( -2.954 2.865 0.516) 4.147 14.087 ( -2.727 -3.350 -4.267) 6.072 15.489 ( -3.299 -0.396 16.667) 16.995 15.789 ( -6.318 0.165 -14.361) 15.690 ======================= Grid point 702 (199/245) ======================= q-point: ( 0.15 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -2.721 0.617 10.082) 10.461 1.672 ( -6.072 -0.142 -4.699) 7.679 2.069 ( -0.245 -2.364 17.747) 17.905 2.402 ( -2.591 -2.191 -12.171) 12.635 2.698 ( 6.742 -0.382 5.217) 8.533 2.795 ( 6.835 -0.575 -2.302) 7.235 3.206 ( 4.963 -1.162 5.830) 7.744 3.327 ( -0.266 -1.915 -5.553) 5.879 4.334 ( 0.021 -0.879 -0.145) 0.891 4.351 ( 4.213 -1.235 -0.922) 4.486 4.672 ( 3.700 0.293 5.540) 6.668 4.779 ( -6.006 -0.027 -4.737) 7.649 5.545 ( 8.373 4.286 2.853) 9.829 5.628 ( 14.456 4.064 -5.488) 15.987 6.370 ( 2.664 1.934 5.446) 6.363 6.426 ( 2.812 -2.368 0.493) 3.709 6.565 ( 7.679 -4.229 2.270) 9.055 6.600 ( 5.203 -5.824 0.251) 7.814 7.234 ( -1.472 1.538 -0.408) 2.168 7.299 ( -1.577 0.235 -7.256) 7.429 7.703 ( 12.095 -1.556 3.836) 12.784 7.798 ( 11.798 -1.070 -5.149) 12.917 8.501 ( 15.281 0.863 0.744) 15.323 8.509 ( 15.461 1.093 -0.601) 15.511 9.102 ( -2.177 2.911 3.344) 4.939 9.169 ( -1.080 -0.461 -3.533) 3.723 9.974 ( -8.598 0.333 2.459) 8.949 10.023 ( -9.643 0.206 -2.670) 10.008 11.006 ( -6.198 3.263 5.575) 8.952 11.139 ( -2.752 3.834 -8.521) 9.741 12.171 ( 3.678 -1.361 11.543) 12.191 12.347 ( 5.520 -1.047 -7.021) 8.992 13.952 ( -5.308 1.638 2.196) 5.973 14.030 ( -5.207 -3.402 -5.979) 8.627 15.408 ( -5.257 -0.349 13.114) 14.133 15.634 ( -9.572 0.239 -9.912) 13.782 ======================= Grid point 703 (200/245) ======================= q-point: ( 0.23 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -8.483 0.808 7.176) 11.140 1.528 ( -10.014 -0.703 -4.514) 11.007 2.122 ( 3.633 -3.534 14.802) 15.646 2.388 ( -0.512 -3.954 -9.076) 9.913 2.843 ( 7.838 -0.933 1.691) 8.073 2.920 ( 6.260 -2.160 -3.548) 7.512 3.327 ( 7.552 0.522 1.137) 7.655 3.377 ( 4.806 -1.184 -4.212) 6.500 4.342 ( -1.690 -0.850 4.095) 4.511 4.383 ( -3.047 -2.175 0.140) 3.746 4.621 ( -5.400 0.287 3.571) 6.480 4.713 ( 3.536 -0.840 -5.304) 6.430 5.798 ( 17.349 5.793 6.649) 19.462 5.936 ( 17.937 5.939 -7.133) 20.196 6.340 ( -1.383 3.863 8.950) 9.845 6.449 ( -0.240 0.634 -1.191) 1.371 6.767 ( 9.311 -7.075 2.227) 11.904 6.809 ( 8.538 -8.869 -3.040) 12.680 7.200 ( -0.552 1.060 -2.322) 2.611 7.221 ( -4.112 0.399 -5.614) 6.970 7.941 ( 11.090 -1.999 3.576) 11.823 7.992 ( 8.911 -2.919 -1.594) 9.512 8.728 ( 6.592 5.084 3.024) 8.857 8.779 ( 9.231 3.986 -1.517) 10.168 9.139 ( 12.275 0.334 5.846) 13.600 9.272 ( 13.143 -4.215 -7.091) 15.517 9.784 ( -11.467 -0.268 1.180) 11.530 9.817 ( -11.837 -1.613 -2.281) 12.162 10.882 ( -4.151 6.948 8.009) 11.386 11.074 ( -0.668 7.925 -12.266) 14.618 12.219 ( -0.012 -3.002 13.226) 13.562 12.426 ( 1.848 -1.794 -8.449) 8.833 13.835 ( -6.581 -0.342 3.142) 7.301 13.932 ( -6.852 -3.063 -6.952) 10.231 15.304 ( -5.816 0.038 8.994) 10.711 15.448 ( -9.792 0.271 -5.505) 11.236 ======================= Grid point 704 (201/245) ======================= q-point: ( 0.31 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -15.461 0.998 4.879) 16.243 1.289 ( -15.987 -0.840 -6.260) 17.190 2.220 ( 4.605 -3.040 10.636) 11.982 2.413 ( 0.645 -3.462 -7.655) 8.427 3.001 ( 8.563 -1.505 1.885) 8.896 3.063 ( 7.302 -2.924 -3.240) 8.508 3.463 ( 7.156 2.272 -0.282) 7.514 3.509 ( 8.054 0.590 -4.966) 9.480 4.239 ( -7.409 -1.964 3.733) 8.525 4.301 ( -5.864 -4.458 -2.501) 7.779 4.645 ( 6.709 0.037 11.309) 13.149 4.844 ( 8.173 -1.388 -8.771) 12.069 5.988 ( 2.878 3.904 10.366) 11.445 6.153 ( 7.334 4.273 -5.082) 9.893 6.366 ( 7.888 6.045 3.187) 10.436 6.451 ( 3.022 4.356 -2.491) 5.858 6.883 ( -2.029 -3.295 -1.459) 4.136 6.903 ( -1.088 -1.849 -3.144) 3.806 7.197 ( 4.336 -2.823 3.596) 6.301 7.301 ( 7.997 -4.677 -5.898) 10.983 8.130 ( 8.217 -3.577 3.955) 9.795 8.185 ( 8.443 -6.092 -1.593) 10.533 8.729 ( -0.632 6.281 4.336) 7.658 8.803 ( 0.285 5.310 -2.515) 5.882 9.466 ( 1.159 0.253 5.054) 5.192 9.540 ( 4.647 -2.132 0.219) 5.117 9.590 ( 1.351 -1.131 3.056) 3.527 9.749 ( 13.692 -7.372 -9.540) 18.243 10.777 ( -2.239 9.674 11.273) 15.023 11.038 ( 2.399 10.944 -15.827) 19.391 12.202 ( -3.559 -3.891 14.160) 15.110 12.432 ( -2.204 -1.945 -9.706) 10.141 13.717 ( -6.508 -2.022 3.050) 7.466 13.813 ( -7.284 -2.348 -6.797) 10.235 15.196 ( -5.435 0.343 5.512) 7.749 15.275 ( -8.325 0.281 -2.324) 8.648 ======================= Grid point 705 (202/245) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -20.533 2.169 3.257) 20.903 0.958 ( -18.851 -1.454 -9.514) 21.165 2.320 ( 4.430 -1.978 5.713) 7.495 2.440 ( 0.508 -2.168 -6.069) 6.464 3.165 ( 7.180 -1.782 1.900) 7.638 3.214 ( 7.371 -1.672 -2.497) 7.960 3.545 ( 2.821 3.513 1.538) 4.760 3.617 ( 3.204 2.023 -5.311) 6.524 4.165 ( -0.972 -2.504 4.547) 5.281 4.254 ( -1.838 -5.168 -4.327) 6.986 4.807 ( 9.288 -1.254 11.023) 14.469 4.997 ( 6.607 -2.197 -8.347) 10.870 5.920 ( -5.490 2.400 14.812) 15.978 6.178 ( -1.866 1.454 -10.361) 10.628 6.452 ( 1.832 4.868 1.678) 5.465 6.521 ( 5.690 6.696 -3.041) 9.299 6.818 ( -2.150 0.315 1.262) 2.512 6.896 ( 1.654 1.019 -5.241) 5.590 7.321 ( 4.747 -3.553 6.982) 9.160 7.471 ( 6.146 -4.729 -7.801) 11.000 8.293 ( 6.009 -5.943 4.163) 9.422 8.344 ( 4.275 -7.765 -1.494) 8.989 8.689 ( 0.700 7.368 6.682) 9.971 8.798 ( 2.670 6.226 -3.796) 7.765 9.294 ( -10.350 -1.000 4.703) 11.412 9.383 ( -8.979 -2.816 -4.485) 10.424 9.942 ( 15.823 -2.824 8.223) 18.055 10.118 ( 15.468 -5.323 -10.151) 19.252 10.711 ( 1.522 9.305 16.495) 19.000 11.060 ( 6.092 10.552 -19.442) 22.945 12.137 ( -5.062 -3.378 14.335) 15.573 12.375 ( -4.303 -1.419 -10.460) 11.399 13.620 ( -4.968 -2.452 2.051) 5.908 13.694 ( -6.153 -1.461 -5.646) 8.477 15.104 ( -4.011 0.349 3.141) 5.106 15.140 ( -5.750 0.251 -0.425) 5.771 ======================= Grid point 706 (203/245) ======================= q-point: ( 0.46 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -16.059 1.969 4.466) 16.785 0.669 ( -10.192 -0.999 -16.358) 19.299 2.397 ( 2.611 -0.721 1.606) 3.149 2.449 ( -0.433 -0.803 -3.715) 3.825 3.273 ( 3.382 -0.905 2.446) 4.271 3.325 ( 2.909 0.044 -2.263) 3.686 3.558 ( 1.041 0.457 1.236) 1.679 3.611 ( -1.754 1.813 -3.393) 4.227 4.204 ( 2.592 -0.580 2.613) 3.726 4.257 ( -0.765 -2.321 -2.548) 3.531 4.962 ( 5.016 -1.221 7.893) 9.431 5.100 ( 2.800 -1.511 -6.309) 7.066 5.818 ( -3.228 1.250 16.191) 16.557 6.120 ( -2.450 0.648 -14.724) 14.941 6.419 ( -1.426 1.826 5.199) 5.692 6.545 ( 0.458 2.599 -6.570) 7.080 6.826 ( 1.691 0.820 4.884) 5.234 6.940 ( 2.137 0.464 -5.927) 6.318 7.390 ( 1.384 -1.211 7.522) 7.743 7.562 ( 1.827 -1.807 -9.457) 9.800 8.396 ( 1.841 -3.602 2.928) 4.994 8.429 ( 1.350 -4.430 -0.960) 4.729 8.672 ( 0.765 4.848 9.908) 11.057 8.820 ( 1.887 3.755 -4.943) 6.488 9.153 ( -4.555 -1.152 6.360) 7.907 9.282 ( -2.957 -1.823 -7.076) 7.883 10.154 ( 5.541 -2.283 6.795) 9.060 10.287 ( 1.877 -0.032 -5.916) 6.206 10.753 ( 4.423 2.838 16.647) 17.457 11.130 ( 4.262 4.573 -21.038) 21.947 12.069 ( -2.799 -1.406 14.461) 14.796 12.311 ( -2.401 -0.506 -10.867) 11.141 13.564 ( -1.847 -1.194 0.837) 2.353 13.612 ( -2.638 -0.444 -4.280) 5.047 15.051 ( -1.356 0.121 1.770) 2.234 15.063 ( -2.227 0.127 0.630) 2.317 ======================= Grid point 714 (204/245) ======================= q-point: ( 0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -2.562 0.000 10.061) 10.382 1.671 ( -6.372 0.000 -4.008) 7.528 2.056 ( -0.405 0.000 17.549) 17.554 2.390 ( -3.042 0.000 -12.071) 12.448 2.696 ( 6.418 -0.000 5.089) 8.191 2.792 ( 6.694 -0.000 -2.028) 6.994 3.200 ( 5.480 -0.000 5.325) 7.641 3.316 ( 0.086 -0.000 -5.592) 5.592 4.329 ( 0.143 -0.000 -0.119) 0.186 4.344 ( 4.169 -0.000 -0.641) 4.218 4.673 ( 3.901 -0.000 5.327) 6.603 4.779 ( -6.252 0.000 -4.666) 7.801 5.568 ( 8.267 -0.000 2.694) 8.695 5.650 ( 14.840 -0.000 -5.518) 15.833 6.389 ( 6.537 -0.000 2.751) 7.092 6.405 ( 1.055 -0.000 2.932) 3.117 6.544 ( 7.078 -0.000 1.282) 7.193 6.567 ( 3.678 -0.000 1.718) 4.059 7.243 ( -1.870 0.000 -0.898) 2.074 7.300 ( -1.153 0.000 -6.818) 6.914 7.694 ( 12.072 -0.000 3.798) 12.656 7.792 ( 11.760 -0.000 -5.397) 12.939 8.506 ( 15.410 -0.000 0.960) 15.440 8.516 ( 16.325 -0.000 -0.599) 16.336 9.120 ( -2.379 0.000 2.194) 3.236 9.164 ( -2.113 0.000 -2.262) 3.095 9.976 ( -8.871 0.000 2.398) 9.189 10.024 ( -9.972 0.000 -2.678) 10.325 11.024 ( -5.582 0.000 5.645) 7.939 11.160 ( -2.100 0.000 -8.757) 9.005 12.164 ( 3.367 -0.000 11.532) 12.014 12.341 ( 5.363 -0.000 -7.121) 8.915 13.965 ( -6.065 0.000 0.585) 6.093 14.007 ( -4.687 0.000 -4.217) 6.305 15.406 ( -5.117 0.000 13.234) 14.189 15.635 ( -9.601 0.000 -10.071) 13.915 ======================= Grid point 715 (205/245) ======================= q-point: ( 0.15 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -8.605 0.396 6.884) 11.027 1.522 ( -9.997 -0.326 -3.409) 10.567 2.097 ( 3.869 -1.239 14.689) 15.240 2.358 ( -0.409 -1.511 -8.438) 8.582 2.837 ( 8.009 -0.307 0.514) 8.031 2.904 ( 5.768 -0.753 -3.067) 6.576 3.331 ( 8.418 0.291 0.172) 8.425 3.367 ( 5.068 -0.629 -3.673) 6.290 4.337 ( -1.526 -0.181 3.713) 4.019 4.367 ( -3.547 -0.806 0.708) 3.706 4.623 ( -5.825 0.159 3.174) 6.635 4.706 ( 3.593 -0.376 -4.879) 6.071 5.841 ( 16.903 2.164 6.754) 18.330 5.981 ( 17.559 2.325 -7.182) 19.113 6.374 ( -1.223 2.036 8.266) 8.600 6.456 ( 1.533 0.512 0.310) 1.646 6.710 ( 9.342 -3.033 1.158) 9.890 6.736 ( 9.594 -4.089 -2.704) 10.774 7.210 ( -0.610 0.542 -2.504) 2.634 7.225 ( -4.943 0.299 -5.681) 7.536 7.926 ( 11.232 -0.804 2.976) 11.647 7.970 ( 7.785 -1.111 -1.559) 8.017 8.775 ( 7.956 3.539 2.951) 9.194 8.800 ( 9.753 -0.117 1.325) 9.843 9.152 ( 11.289 1.673 1.749) 11.546 9.228 ( 11.921 -3.290 -5.170) 13.404 9.783 ( -11.428 -0.017 0.698) 11.450 9.806 ( -12.753 -0.574 -1.646) 12.872 10.933 ( -3.511 2.572 8.160) 9.248 11.133 ( 0.006 2.897 -12.816) 13.139 12.197 ( -0.273 -1.107 13.469) 13.517 12.412 ( 1.763 -0.771 -8.945) 9.149 13.834 ( -7.425 0.093 2.214) 7.749 13.908 ( -6.233 -1.335 -5.695) 8.548 15.304 ( -5.635 0.053 9.048) 10.659 15.449 ( -9.834 0.066 -5.512) 11.274 ======================= Grid point 716 (206/245) ======================= q-point: ( 0.23 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -15.072 0.752 4.155) 15.652 1.281 ( -16.243 -0.643 -5.165) 17.057 2.194 ( 5.201 -1.800 10.944) 12.250 2.382 ( 1.383 -2.184 -6.777) 7.253 2.991 ( 8.417 -0.453 0.519) 8.445 3.039 ( 7.873 -1.609 -2.703) 8.478 3.483 ( 7.898 1.547 -1.469) 8.181 3.512 ( 9.022 -0.062 -4.225) 9.962 4.227 ( -7.671 -0.397 2.458) 8.066 4.261 ( -6.834 -3.038 -1.036) 7.550 4.645 ( 6.351 -0.032 10.611) 12.366 4.831 ( 7.847 -0.941 -8.209) 11.395 6.019 ( 1.248 2.025 10.163) 10.437 6.190 ( 5.236 2.503 -6.349) 8.602 6.419 ( 8.058 3.764 5.066) 10.235 6.502 ( 5.970 4.709 -1.684) 7.788 6.843 ( 0.101 -3.435 -1.014) 3.583 6.870 ( 1.532 -3.880 -3.301) 5.320 7.182 ( 2.841 -0.420 1.928) 3.459 7.270 ( 7.143 -1.415 -5.728) 9.264 8.101 ( 7.046 -1.767 2.185) 7.586 8.129 ( 7.615 -4.103 -0.768) 8.684 8.788 ( -0.640 4.645 4.410) 6.437 8.844 ( 0.276 2.387 -0.418) 2.439 9.465 ( 1.906 -0.404 4.754) 5.137 9.522 ( 2.640 -0.993 1.886) 3.393 9.591 ( 3.578 1.033 -1.665) 4.080 9.678 ( 12.263 -5.716 -7.302) 15.374 10.859 ( -2.271 5.462 11.580) 13.003 11.130 ( 2.290 6.130 -16.564) 17.810 12.169 ( -3.399 -2.268 14.720) 15.277 12.414 ( -2.021 -1.330 -10.651) 10.922 13.700 ( -6.914 -1.115 3.165) 7.686 13.792 ( -6.744 -1.413 -6.471) 9.452 15.199 ( -5.359 0.273 5.484) 7.673 15.277 ( -8.379 0.084 -2.139) 8.648 ======================= Grid point 717 (207/245) ======================= q-point: ( 0.31 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -19.795 2.301 1.094) 19.958 0.939 ( -19.622 -2.104 -7.361) 21.062 2.300 ( 5.046 -1.561 6.013) 8.004 2.419 ( 1.223 -1.717 -5.597) 5.981 3.151 ( 7.640 -0.925 1.800) 7.904 3.200 ( 8.153 -0.990 -2.535) 8.595 3.584 ( 2.793 3.564 0.475) 4.553 3.634 ( 3.297 0.970 -4.236) 5.454 4.145 ( -0.476 -1.234 2.619) 2.934 4.202 ( -0.936 -4.490 -3.122) 5.548 4.795 ( 8.507 -1.071 10.602) 13.635 4.974 ( 6.150 -1.967 -7.837) 10.154 5.943 ( -5.832 1.755 13.931) 15.204 6.191 ( -2.593 0.815 -10.438) 10.786 6.513 ( 1.880 6.450 3.465) 7.559 6.595 ( 5.113 6.771 -3.116) 9.039 6.801 ( -2.782 -2.989 1.600) 4.386 6.885 ( 0.406 -3.049 -5.292) 6.121 7.300 ( 6.644 -0.677 5.898) 8.910 7.437 ( 8.153 -1.625 -7.609) 11.270 8.233 ( 5.145 -4.881 2.802) 7.625 8.269 ( 4.359 -6.120 -1.099) 7.593 8.763 ( 1.220 6.197 6.619) 9.149 8.858 ( 3.161 4.721 -2.444) 6.185 9.284 ( -10.938 -0.881 4.115) 11.720 9.355 ( -9.460 -2.240 -3.161) 10.223 9.918 ( 15.277 -1.488 5.853) 16.427 10.064 ( 17.371 -4.670 -9.008) 20.117 10.797 ( -0.423 6.568 16.918) 18.153 11.156 ( 4.120 7.312 -20.160) 21.837 12.106 ( -4.241 -2.414 15.080) 15.850 12.361 ( -3.847 -1.171 -11.465) 12.150 13.597 ( -4.665 -1.739 2.701) 5.664 13.680 ( -5.650 -1.148 -5.915) 8.260 15.107 ( -4.084 0.334 3.108) 5.142 15.142 ( -5.812 0.084 -0.216) 5.817 ======================= Grid point 718 (208/245) ======================= q-point: ( 0.38 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -17.670 1.609 2.295) 17.891 0.652 ( -9.645 -2.040 -15.074) 18.011 2.390 ( 3.547 -0.500 1.607) 3.926 2.440 ( 0.207 -0.918 -3.469) 3.594 3.267 ( 4.031 -0.286 2.657) 4.836 3.325 ( 3.701 -0.141 -2.869) 4.685 3.566 ( -1.174 1.033 2.211) 2.708 3.629 ( -2.157 1.572 -3.898) 4.724 4.194 ( 2.847 -1.398 2.165) 3.840 4.243 ( 2.624 -0.390 -2.568) 3.692 4.944 ( 5.442 -1.962 7.785) 9.699 5.077 ( 3.397 -2.523 -5.967) 7.315 5.834 ( -3.912 1.633 15.524) 16.093 6.128 ( -2.687 0.801 -14.529) 14.797 6.452 ( -2.779 4.360 5.957) 7.888 6.585 ( -1.530 4.742 -6.730) 8.373 6.807 ( -0.396 -4.025 5.063) 6.480 6.923 ( 0.528 -3.608 -6.075) 7.085 7.394 ( 3.652 1.791 7.171) 8.244 7.560 ( 4.663 1.211 -9.200) 10.386 8.339 ( 3.032 -6.032 2.727) 7.281 8.370 ( 3.224 -6.051 -0.740) 6.896 8.743 ( -0.595 7.416 9.050) 11.715 8.873 ( 0.096 5.699 -4.035) 6.983 9.142 ( -3.613 -0.981 5.838) 6.935 9.258 ( -1.827 -2.781 -6.211) 7.046 10.126 ( 6.056 -2.737 6.939) 9.608 10.277 ( 3.320 -1.660 -8.160) 8.965 10.785 ( 0.991 3.079 18.494) 18.775 11.177 ( 0.116 4.205 -21.560) 21.967 12.057 ( -1.276 -0.970 14.852) 14.938 12.305 ( -1.851 -0.453 -11.272) 11.432 13.552 ( -0.792 -1.053 1.299) 1.851 13.608 ( -2.066 -0.409 -4.591) 5.051 15.052 ( -1.531 0.115 1.789) 2.358 15.064 ( -2.312 0.069 0.686) 2.412 ======================= Grid point 719 (209/245) ======================= q-point: (-0.54 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 14.898 -2.253 6.096) 16.254 0.673 ( 10.790 -0.195 -17.344) 20.428 2.405 ( -1.948 0.752 1.355) 2.489 2.456 ( 1.305 0.467 -3.757) 4.005 3.284 ( -2.433 1.006 2.110) 3.373 3.326 ( -2.527 0.328 -1.671) 3.047 3.554 ( -2.051 -0.356 0.234) 2.094 3.594 ( 0.530 -1.133 -2.871) 3.132 4.210 ( -1.002 0.623 4.015) 4.185 4.287 ( 2.480 2.987 -3.351) 5.129 4.968 ( -4.171 -0.143 7.891) 8.927 5.106 ( -1.745 -0.326 -6.342) 6.586 5.810 ( 2.185 -0.151 16.403) 16.548 6.116 ( 1.914 0.015 -14.976) 15.097 6.412 ( 0.029 0.551 4.961) 4.992 6.531 ( -2.770 -0.057 -5.887) 6.506 6.792 ( -3.169 -4.921 4.704) 7.510 6.914 ( -3.712 -4.373 -6.917) 8.985 7.420 ( 0.814 4.229 8.182) 9.246 7.597 ( 0.668 4.327 -9.408) 10.377 8.401 ( 0.465 -2.476 3.497) 4.310 8.446 ( 2.056 -1.653 -1.667) 3.120 8.661 ( -4.148 2.864 9.780) 11.003 8.804 ( -4.467 0.717 -4.551) 6.417 9.167 ( 5.536 1.535 6.132) 8.403 9.295 ( 4.455 0.567 -7.123) 8.421 10.169 ( -3.514 0.365 6.145) 7.088 10.278 ( -1.688 -1.494 -3.415) 4.092 10.728 ( -7.562 -1.819 14.535) 16.485 11.086 ( -9.155 -3.548 -20.469) 22.702 12.085 ( 4.291 1.538 13.910) 14.638 12.316 ( 2.932 0.447 -10.274) 10.693 13.576 ( 3.101 1.048 0.384) 3.296 13.617 ( 3.081 0.371 -3.965) 5.035 15.049 ( 1.256 -0.089 1.699) 2.115 15.061 ( 2.054 -0.170 0.611) 2.150 ======================= Grid point 720 (210/245) ======================= q-point: (-0.46 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 21.217 -1.972 4.951) 21.876 0.969 ( 18.578 0.698 -11.181) 21.694 2.340 ( -3.800 1.788 5.280) 6.747 2.462 ( 0.167 1.941 -6.670) 6.949 3.188 ( -6.507 2.509 1.893) 7.226 3.235 ( -6.046 2.076 -2.417) 6.834 3.513 ( -3.356 -2.523 2.214) 4.746 3.593 ( -3.104 -2.400 -5.589) 6.828 4.196 ( 1.858 3.165 5.992) 7.027 4.308 ( 2.595 4.867 -5.086) 7.503 4.819 ( -9.960 0.821 11.292) 15.080 5.016 ( -6.901 1.377 -8.788) 11.258 5.895 ( 4.887 -2.160 15.629) 16.517 6.163 ( 1.007 -1.301 -10.258) 10.389 6.408 ( -3.580 -3.778 0.005) 5.205 6.459 ( -6.347 -4.827 -2.184) 8.267 6.797 ( 2.809 -3.208 0.515) 4.296 6.867 ( -2.066 -4.019 -5.600) 7.196 7.374 ( -2.945 6.311 7.959) 10.575 7.533 ( -4.410 6.748 -7.909) 11.293 8.347 ( -6.206 3.605 6.083) 9.409 8.424 ( -3.732 6.766 -2.443) 8.104 8.616 ( -0.756 -5.994 6.623) 8.964 8.737 ( -3.033 -4.669 -4.968) 7.462 9.306 ( 9.781 1.495 5.267) 11.209 9.411 ( 8.730 2.428 -5.566) 10.634 9.976 ( -15.635 3.582 9.995) 18.899 10.171 ( -12.497 4.227 -10.372) 16.782 10.608 ( -4.563 -9.636 15.267) 18.622 10.939 ( -8.910 -11.889 -18.616) 23.818 12.175 ( 5.944 3.589 13.365) 15.061 12.390 ( 4.689 1.266 -9.093) 10.309 13.647 ( 5.337 2.663 1.170) 6.078 13.709 ( 6.737 1.299 -5.164) 8.587 15.101 ( 3.982 -0.210 2.992) 4.985 15.136 ( 5.627 -0.440 -0.514) 5.668 ======================= Grid point 721 (211/245) ======================= q-point: (-0.38 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 15.924 -0.883 5.612) 16.907 1.298 ( 15.871 0.762 -7.435) 17.543 2.255 ( -3.642 3.410 10.023) 11.196 2.450 ( 0.226 3.392 -8.737) 9.375 3.024 ( -8.597 2.933 3.325) 9.673 3.100 ( -6.638 4.014 -3.636) 8.568 3.436 ( -6.235 -2.618 0.908) 6.823 3.499 ( -7.143 -1.386 -5.452) 9.092 4.267 ( 7.083 3.283 4.820) 9.175 4.353 ( 5.096 5.212 -3.759) 8.201 4.643 ( -7.267 -0.331 12.100) 14.119 4.858 ( -8.643 1.077 -9.484) 12.877 5.939 ( -5.448 -5.056 10.597) 12.944 6.106 ( -9.339 -4.370 -4.838) 11.389 6.297 ( -7.197 -6.554 3.920) 10.493 6.412 ( -0.532 -3.196 -4.598) 5.625 6.892 ( 2.482 -1.619 -1.078) 3.153 6.917 ( 6.401 1.143 -4.381) 7.840 7.247 ( -5.976 6.440 5.594) 10.416 7.368 ( -8.453 7.735 -6.145) 13.002 8.170 ( -9.587 3.497 6.144) 11.912 8.252 ( -9.845 6.242 -2.101) 11.845 8.663 ( 1.210 -5.884 3.209) 6.811 8.739 ( -0.538 -6.197 -3.980) 7.385 9.462 ( -0.498 -0.495 5.416) 5.461 9.554 ( -4.145 0.269 -3.647) 5.527 9.621 ( -3.474 4.653 9.135) 10.824 9.831 ( -13.860 7.970 -11.279) 19.566 10.661 ( 2.400 -11.819 10.646) 16.087 10.905 ( -2.415 -13.821 -14.738) 20.349 12.248 ( 3.764 4.566 13.189) 14.456 12.452 ( 2.320 1.779 -8.155) 8.664 13.741 ( 6.044 2.495 2.794) 7.111 13.839 ( 7.954 2.593 -7.068) 10.952 15.193 ( 5.590 -0.160 5.301) 7.705 15.270 ( 8.219 -0.576 -2.389) 8.579 ======================= Grid point 722 (212/245) ======================= q-point: (-0.31 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 8.402 -0.665 7.449) 11.248 1.536 ( 9.964 0.752 -5.996) 11.653 2.169 ( -2.995 5.187 14.628) 15.807 2.436 ( 0.718 4.870 -9.961) 11.111 2.857 ( -7.992 1.692 3.594) 8.925 2.949 ( -6.996 3.375 -4.298) 8.878 3.320 ( -6.457 -0.695 2.409) 6.927 3.389 ( -3.922 0.788 -4.757) 6.216 4.356 ( 1.389 1.762 4.744) 5.248 4.412 ( 2.470 3.299 -0.609) 4.166 4.618 ( 5.204 -0.121 3.906) 6.508 4.722 ( -3.546 0.734 -5.903) 6.925 5.725 ( -17.831 -7.762 6.669) 20.560 5.863 ( -18.604 -7.474 -7.322) 21.344 6.300 ( 2.545 -3.513 10.269) 11.147 6.442 ( 1.695 -0.687 -3.232) 3.713 6.846 ( -7.830 7.230 3.324) 11.164 6.910 ( -6.073 9.778 -3.480) 12.025 7.192 ( 0.351 -0.306 -2.112) 2.163 7.223 ( 1.120 1.272 -5.382) 5.643 7.964 ( -11.253 2.012 4.750) 12.379 8.028 ( -10.580 3.586 -1.668) 11.295 8.674 ( -4.938 -4.853 1.662) 7.120 8.723 ( -7.990 -6.119 -2.888) 10.470 9.143 ( -14.056 0.853 8.536) 16.467 9.309 ( -14.508 2.552 -8.093) 16.807 9.789 ( 10.989 0.662 1.963) 11.182 9.840 ( 10.205 2.664 -3.397) 11.081 10.793 ( 5.455 -9.392 7.593) 13.252 10.972 ( 1.982 -11.114 -11.228) 15.922 12.257 ( -0.409 4.115 12.545) 13.209 12.446 ( -2.040 1.825 -7.317) 7.812 13.843 ( 5.713 1.117 4.195) 7.175 13.969 ( 7.349 3.584 -8.475) 11.776 15.305 ( 6.175 0.244 8.651) 10.632 15.443 ( 9.698 -0.625 -5.324) 11.080 ======================= Grid point 723 (213/245) ======================= q-point: (-0.23 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 3.069 -0.647 10.021) 10.501 1.674 ( 5.493 0.233 -6.208) 8.293 2.106 ( -0.217 4.592 17.866) 18.448 2.433 ( 1.339 3.437 -12.147) 12.695 2.703 ( -7.509 0.552 5.613) 9.391 2.805 ( -7.355 1.154 -3.138) 8.079 3.223 ( -3.566 1.906 7.114) 8.183 3.353 ( 1.218 2.956 -5.467) 6.333 4.347 ( 0.186 1.415 -0.197) 1.441 4.368 ( -4.492 2.041 -1.733) 5.229 4.670 ( -3.076 0.131 6.065) 6.802 4.780 ( 5.524 0.301 -4.810) 7.331 5.483 ( -8.471 -7.029 3.190) 11.460 5.569 ( -13.659 -6.750 -5.435) 16.176 6.354 ( 0.203 -1.094 7.830) 7.909 6.450 ( -1.581 2.092 -1.268) 2.913 6.628 ( -8.814 7.212 3.200) 11.830 6.681 ( -8.070 9.230 -1.757) 12.386 7.213 ( 0.740 -2.193 0.619) 2.396 7.295 ( 2.179 -0.485 -8.153) 8.453 7.724 ( -11.997 2.312 3.951) 12.841 7.812 ( -11.909 1.593 -4.489) 12.826 8.485 ( -14.965 -2.216 0.464) 15.136 8.498 ( -13.081 -0.855 -0.904) 13.140 9.066 ( 0.958 -3.706 4.951) 6.258 9.167 ( -1.043 -0.992 -5.446) 5.633 9.968 ( 7.788 -0.795 2.654) 8.266 10.019 ( 8.671 -0.413 -2.731) 9.100 10.959 ( 7.896 -5.299 5.289) 10.881 11.083 ( 4.554 -6.539 -7.817) 11.163 12.192 ( -4.470 2.449 11.349) 12.442 12.360 ( -5.947 1.281 -6.536) 8.929 13.939 ( 4.521 -0.726 4.563) 6.464 14.069 ( 5.361 3.847 -8.664) 10.891 15.415 ( 5.661 0.879 12.597) 13.839 15.629 ( 9.485 -0.615 -9.369) 13.347 ======================= Grid point 724 (214/245) ======================= q-point: (-0.15 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 0.359 0.174 12.530) 12.536 1.751 ( 2.660 -0.722 -9.150) 9.556 2.133 ( 4.782 2.084 18.834) 19.543 2.433 ( -0.767 0.444 -10.612) 10.649 2.580 ( -6.738 -2.768 8.923) 11.519 2.684 ( -3.292 1.678 -1.419) 3.958 3.163 ( -1.233 3.937 12.042) 12.729 3.391 ( 4.068 4.339 -8.617) 10.471 4.260 ( -6.184 0.025 2.941) 6.848 4.368 ( 2.749 0.919 -7.845) 8.363 4.518 ( -9.109 2.081 9.453) 13.291 4.733 ( -9.645 0.595 -11.125) 14.736 5.507 ( 5.097 -6.208 1.975) 8.271 5.558 ( 7.402 -4.692 -3.211) 9.333 6.270 ( -6.624 2.683 3.439) 7.931 6.333 ( -7.543 3.935 -3.141) 9.069 6.523 ( 0.396 1.912 7.710) 7.953 6.603 ( 1.192 5.801 -0.093) 5.923 7.172 ( -8.100 -2.913 4.398) 9.666 7.262 ( -4.115 0.091 -5.064) 6.526 7.548 ( -8.692 1.525 -2.852) 9.274 7.593 ( -4.463 3.120 -7.604) 9.353 8.286 ( -6.679 -0.466 1.429) 6.846 8.303 ( -6.744 0.511 -0.383) 6.774 9.122 ( 1.687 -4.961 4.429) 6.861 9.196 ( 1.621 -2.532 -3.224) 4.408 10.087 ( 3.955 -2.225 3.483) 5.721 10.151 ( 4.500 -1.722 -3.319) 5.851 11.125 ( 7.087 -1.481 3.222) 7.925 11.195 ( 4.388 -1.938 -4.096) 6.308 12.086 ( -5.093 0.262 9.843) 11.085 12.234 ( -6.146 0.362 -5.883) 8.516 14.014 ( 2.537 -2.300 3.737) 5.069 14.126 ( 2.764 3.701 -7.663) 8.948 15.497 ( 3.509 1.254 16.115) 16.540 15.786 ( 6.259 -0.567 -13.649) 15.026 ======================= Grid point 725 (215/245) ======================= q-point: (-0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 0.000 0.333 13.999) 14.003 1.779 ( -0.000 -0.666 -11.427) 11.447 2.198 ( 0.000 0.920 16.269) 16.295 2.419 ( -0.000 -0.105 -7.277) 7.278 2.512 ( -0.000 -5.305 12.721) 13.783 2.655 ( 0.000 3.037 -0.117) 3.039 3.133 ( 0.000 3.279 13.291) 13.690 3.417 ( 0.000 3.989 -11.526) 12.197 4.183 ( -0.000 -1.299 9.367) 9.456 4.411 ( 0.000 2.738 6.276) 6.847 4.427 ( -0.000 -1.227 -15.949) 15.996 4.576 ( 0.000 2.954 -8.601) 9.095 5.620 ( -0.000 -5.004 2.810) 5.739 5.687 ( -0.000 -3.841 -4.171) 5.670 6.179 ( 0.000 1.936 2.970) 3.545 6.233 ( 0.000 2.217 -2.758) 3.538 6.529 ( 0.000 0.715 6.734) 6.772 6.590 ( 0.000 6.211 0.526) 6.234 7.069 ( -0.000 -1.178 6.723) 6.826 7.203 ( -0.000 -1.510 -7.327) 7.481 7.441 ( 0.000 2.587 1.515) 2.998 7.567 ( 0.000 1.608 -12.037) 12.144 8.228 ( -0.000 -0.170 1.509) 1.518 8.240 ( 0.000 0.524 0.275) 0.592 9.164 ( -0.000 -4.096 4.174) 5.848 9.225 ( -0.000 -1.849 -2.212) 2.883 10.137 ( -0.000 -2.215 3.562) 4.195 10.202 ( -0.000 -1.510 -3.407) 3.726 11.202 ( -0.000 -0.034 2.246) 2.246 11.244 ( 0.000 0.017 -2.079) 2.079 12.034 ( -0.000 -0.734 8.732) 8.763 12.167 ( -0.000 -0.017 -5.476) 5.476 14.053 ( -0.000 -3.104 2.161) 3.782 14.132 ( 0.000 3.694 -5.992) 7.039 15.525 ( 0.000 1.011 17.786) 17.815 15.850 ( -0.000 -0.410 -15.912) 15.917 ======================= Grid point 728 (216/245) ======================= q-point: ( 0.15 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -14.891 0.000 3.820) 15.373 1.277 ( -16.401 0.000 -4.684) 17.057 2.184 ( 5.399 -0.000 11.030) 12.281 2.370 ( 1.669 -0.000 -6.449) 6.661 2.989 ( 8.314 -0.000 -0.110) 8.314 3.030 ( 8.140 -0.000 -2.382) 8.482 3.492 ( 8.001 -0.000 -2.144) 8.283 3.510 ( 9.616 -0.000 -3.700) 10.303 4.228 ( -7.619 0.000 1.540) 7.773 4.241 ( -7.422 0.000 -0.038) 7.422 4.644 ( 6.226 -0.000 10.334) 12.064 4.826 ( 7.731 -0.000 -7.994) 11.120 6.030 ( 0.725 -0.000 10.059) 10.085 6.204 ( 4.240 -0.000 -7.001) 8.185 6.440 ( 8.577 -0.000 6.542) 10.787 6.531 ( 6.903 -0.000 -1.594) 7.084 6.824 ( 1.330 -0.000 -1.743) 2.193 6.842 ( 1.876 -0.000 -2.861) 3.422 7.181 ( 2.386 -0.000 1.386) 2.759 7.264 ( 6.786 -0.000 -5.708) 8.867 8.094 ( 6.057 -0.000 1.107) 6.157 8.104 ( 7.864 -0.000 0.023) 7.864 8.816 ( -1.009 0.000 3.908) 4.036 8.855 ( 0.597 -0.000 1.024) 1.185 9.462 ( 1.610 -0.000 4.481) 4.761 9.518 ( 2.047 -0.000 1.794) 2.722 9.603 ( 6.492 -0.000 -4.057) 7.656 9.640 ( 10.122 -0.000 -5.145) 11.354 10.888 ( -2.310 0.000 11.677) 11.903 11.163 ( 2.232 -0.000 -16.834) 16.981 12.157 ( -3.337 0.000 14.892) 15.262 12.406 ( -1.931 0.000 -10.953) 11.122 13.694 ( -7.085 0.000 3.190) 7.770 13.784 ( -6.529 0.000 -6.325) 9.090 15.201 ( -5.336 0.000 5.439) 7.619 15.277 ( -8.396 0.000 -2.043) 8.641 ======================= Grid point 729 (217/245) ======================= q-point: ( 0.23 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -18.310 1.932 -1.248) 18.454 0.916 ( -21.275 -1.928 -5.022) 21.944 2.289 ( 5.437 -0.593 6.157) 8.235 2.406 ( 1.682 -0.652 -5.346) 5.642 3.145 ( 7.883 -0.266 1.709) 8.071 3.193 ( 8.473 -0.320 -2.538) 8.851 3.617 ( 3.137 2.554 -0.964) 4.158 3.635 ( 3.158 -0.766 -2.636) 4.185 4.140 ( -1.007 0.428 0.642) 1.269 4.163 ( 0.382 -2.591 -1.646) 3.093 4.787 ( 7.987 -0.411 10.286) 13.029 4.959 ( 5.812 -0.781 -7.503) 9.523 5.956 ( -5.985 0.628 13.362) 14.655 6.196 ( -2.939 0.214 -10.334) 10.746 6.582 ( 3.935 5.761 4.176) 8.131 6.640 ( 3.114 0.530 0.432) 3.189 6.781 ( -2.458 0.719 -1.901) 3.189 6.838 ( -1.411 -4.921 -5.040) 7.184 7.299 ( 7.798 0.175 5.370) 9.469 7.430 ( 9.407 -0.103 -7.530) 12.050 8.197 ( 4.506 -1.779 1.976) 5.232 8.222 ( 4.286 -2.431 -0.740) 4.983 8.812 ( 1.569 2.553 6.222) 6.906 8.893 ( 3.895 1.668 -1.321) 4.438 9.276 ( -11.295 -0.453 3.857) 11.944 9.338 ( -10.056 -0.840 -2.336) 10.358 9.910 ( 14.419 -0.284 3.866) 14.931 10.027 ( 18.685 -2.016 -7.876) 20.377 10.845 ( -1.412 2.363 17.072) 17.292 11.209 ( 3.062 2.625 -20.603) 20.994 12.088 ( -3.728 -0.877 15.476) 15.943 12.352 ( -3.524 -0.464 -11.971) 12.487 13.584 ( -4.499 -0.630 3.048) 5.470 13.671 ( -5.355 -0.435 -6.028) 8.075 15.110 ( -4.142 0.141 3.020) 5.128 15.142 ( -5.833 0.008 -0.038) 5.834 ======================= Grid point 730 (218/245) ======================= q-point: ( 0.31 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -19.473 1.165 0.097) 19.508 0.630 ( -8.884 -1.899 -13.730) 16.463 2.386 ( 4.438 -0.217 1.439) 4.670 2.431 ( 0.494 -0.636 -3.145) 3.246 3.266 ( 4.443 0.115 2.581) 5.139 3.322 ( 4.317 -0.282 -2.898) 5.207 3.577 ( -3.219 0.946 2.452) 4.155 3.643 ( -2.224 0.874 -4.137) 4.777 4.179 ( 3.239 -1.168 2.800) 4.438 4.244 ( 5.261 0.387 -3.409) 6.281 4.925 ( 5.470 -1.451 7.642) 9.510 5.052 ( 3.532 -1.885 -5.603) 6.886 5.849 ( -4.173 1.058 14.875) 15.485 6.135 ( -2.596 0.472 -14.318) 14.559 6.508 ( -4.213 6.042 6.526) 9.841 6.630 ( -3.459 2.285 -3.909) 5.698 6.763 ( -0.901 -2.305 2.413) 3.457 6.869 ( -0.424 -6.319 -6.569) 9.125 7.418 ( 5.236 2.214 7.115) 9.107 7.579 ( 6.466 1.759 -8.806) 11.065 8.285 ( 3.477 -3.711 2.226) 5.551 8.312 ( 3.750 -4.469 -0.658) 5.871 8.813 ( -0.827 5.358 8.558) 10.131 8.927 ( -1.115 3.885 -2.653) 4.835 9.135 ( -2.005 -0.024 4.438) 4.870 9.225 ( -1.610 -3.050 -4.803) 5.913 10.102 ( 5.853 -1.712 6.521) 8.928 10.258 ( 4.543 -1.650 -9.243) 10.431 10.813 ( -1.476 1.987 19.462) 19.618 11.214 ( -2.563 2.482 -21.919) 22.207 12.049 ( -0.129 -0.459 15.035) 15.042 12.301 ( -1.423 -0.275 -11.457) 11.548 13.543 ( -0.090 -0.621 1.645) 1.761 13.604 ( -1.595 -0.248 -4.820) 5.083 15.053 ( -1.704 0.071 1.776) 2.463 15.064 ( -2.325 0.025 0.746) 2.442 ======================= Grid point 731 (219/245) ======================= q-point: (-0.62 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 14.230 -1.950 7.123) 16.032 0.667 ( 11.485 -0.736 -18.010) 21.373 2.412 ( -1.704 0.568 0.967) 2.040 2.459 ( 2.208 0.157 -3.633) 4.254 3.292 ( -1.609 0.428 2.091) 2.673 3.333 ( -2.438 0.924 -2.029) 3.304 3.547 ( -1.178 -0.894 0.628) 1.607 3.589 ( -1.771 0.096 -3.108) 3.578 4.218 ( 0.680 0.791 5.264) 5.366 4.316 ( 3.221 2.418 -4.110) 5.755 4.961 ( -3.269 -0.949 7.792) 8.503 5.096 ( -0.690 -1.366 -6.043) 6.234 5.813 ( 1.269 0.566 16.104) 16.163 6.120 ( 1.506 0.535 -15.413) 15.496 6.430 ( -1.626 2.729 5.368) 6.238 6.536 ( -5.535 0.259 -3.512) 6.560 6.739 ( -2.779 -4.112 2.700) 5.650 6.854 ( -4.427 -6.486 -7.693) 10.993 7.470 ( 2.222 4.671 8.486) 9.939 7.644 ( 2.023 4.171 -8.982) 10.107 8.362 ( 2.161 -3.749 3.365) 5.482 8.407 ( 3.475 -4.695 -1.496) 6.030 8.710 ( -6.133 5.186 8.378) 11.606 8.824 ( -6.164 2.353 -2.791) 7.164 9.188 ( 6.643 2.614 4.636) 8.512 9.292 ( 5.920 -1.149 -5.955) 8.476 10.163 ( -0.640 -1.237 5.635) 5.804 10.260 ( -2.993 -1.628 -2.346) 4.137 10.714 ( -9.632 -0.888 13.280) 16.429 11.057 ( -13.451 -1.925 -19.991) 24.172 12.100 ( 5.433 1.213 13.361) 14.474 12.320 ( 3.337 0.301 -9.662) 10.226 13.586 ( 4.317 0.698 0.045) 4.373 13.620 ( 3.251 0.239 -3.723) 4.948 15.049 ( 1.255 -0.039 1.588) 2.025 15.059 ( 1.833 -0.160 0.639) 1.947 ======================= Grid point 732 (220/245) ======================= q-point: (-0.54 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 21.949 -1.584 6.152) 22.850 0.973 ( 18.685 0.161 -12.335) 22.390 2.356 ( -3.299 1.221 4.819) 5.966 2.480 ( 0.603 1.319 -7.263) 7.407 3.216 ( -5.549 2.646 1.674) 6.372 3.255 ( -4.559 1.652 -2.172) 5.313 3.495 ( -4.187 -0.767 2.229) 4.805 3.567 ( -3.218 -2.455 -4.916) 6.368 4.229 ( 2.781 3.096 6.765) 7.942 4.354 ( 3.167 3.797 -5.354) 7.288 4.824 ( -10.292 0.088 11.292) 15.279 5.024 ( -6.891 0.140 -8.950) 11.297 5.878 ( 4.087 -1.163 16.094) 16.645 6.155 ( 0.461 -0.147 -10.755) 10.766 6.368 ( -7.370 -3.760 0.363) 8.282 6.419 ( -6.531 -2.660 -1.950) 7.316 6.761 ( 3.976 -3.235 -0.417) 5.142 6.819 ( -0.794 -4.785 -5.857) 7.605 7.446 ( -1.762 6.832 8.293) 10.889 7.605 ( -3.334 6.358 -7.636) 10.480 8.363 ( -4.787 -0.343 7.170) 8.628 8.462 ( -1.755 -1.048 -3.757) 4.277 8.583 ( -2.984 0.847 6.949) 7.610 8.710 ( -4.449 -0.477 -5.282) 6.923 9.327 ( 9.293 2.444 5.126) 10.891 9.431 ( 8.543 1.089 -5.550) 10.245 10.016 ( -14.554 3.991 10.794) 18.554 10.200 ( -7.802 0.852 -7.763) 11.039 10.520 ( -8.673 -6.348 11.372) 15.648 10.816 ( -12.722 -11.076 -17.730) 24.472 12.210 ( 6.714 3.012 12.368) 14.392 12.401 ( 4.906 0.881 -7.669) 9.147 13.674 ( 5.645 2.391 0.141) 6.132 13.720 ( 7.307 0.750 -4.444) 8.585 15.099 ( 4.032 -0.002 2.632) 4.815 15.131 ( 5.446 -0.545 -0.410) 5.489 ======================= Grid point 733 (221/245) ======================= q-point: (-0.46 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 16.410 -0.631 6.199) 17.554 1.305 ( 15.936 0.598 -8.404) 18.026 2.289 ( -2.472 2.947 9.134) 9.911 2.481 ( 0.876 2.352 -9.550) 9.874 3.062 ( -8.413 4.061 4.380) 10.317 3.146 ( -5.819 4.512 -3.809) 8.290 3.409 ( -5.698 -2.445 1.762) 6.445 3.480 ( -6.626 -2.208 -5.495) 8.887 4.307 ( 7.020 4.029 5.574) 9.828 4.408 ( 4.925 5.081 -4.475) 8.373 4.637 ( -8.004 -0.816 12.593) 14.944 4.865 ( -9.181 0.146 -10.132) 13.674 5.886 ( -8.239 -4.725 10.957) 14.501 6.065 ( -11.545 -3.285 -6.104) 13.466 6.233 ( -5.385 -5.504 5.978) 9.748 6.379 ( 0.801 -3.006 -6.371) 7.090 6.864 ( 4.197 -3.051 0.519) 5.215 6.923 ( 8.971 0.084 -6.368) 11.001 7.327 ( -6.484 8.193 6.665) 12.394 7.455 ( -8.200 8.296 -6.121) 13.173 8.198 ( -10.788 1.581 8.255) 13.675 8.306 ( -11.351 3.406 -2.191) 12.052 8.611 ( 2.025 -3.379 1.528) 4.225 8.681 ( -0.885 -4.320 -4.819) 6.532 9.458 ( -1.037 -0.091 5.479) 5.577 9.550 ( -3.511 -0.952 -3.615) 5.128 9.679 ( -6.041 5.767 10.961) 13.780 9.915 ( -13.351 7.759 -12.593) 19.926 10.536 ( 2.884 -11.239 9.312) 14.878 10.752 ( -2.187 -14.694 -13.256) 19.910 12.296 ( 3.983 4.297 11.926) 13.287 12.468 ( 2.279 1.164 -6.256) 6.759 13.768 ( 5.630 2.401 2.416) 6.580 13.865 ( 8.605 2.210 -7.115) 11.382 15.193 ( 5.839 0.176 4.709) 7.503 15.263 ( 8.046 -0.849 -2.165) 8.375 ======================= Grid point 734 (222/245) ======================= q-point: (-0.38 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 8.461 -0.304 7.569) 11.357 1.543 ( 9.860 0.704 -7.289) 12.282 2.228 ( -1.877 5.736 13.835) 15.094 2.485 ( 0.945 3.977 -10.363) 11.140 2.880 ( -8.777 2.635 5.550) 10.714 2.990 ( -7.844 4.350 -5.172) 10.354 3.311 ( -5.242 -0.972 3.455) 6.353 3.391 ( -2.732 -0.376 -5.009) 5.718 4.378 ( 0.342 2.462 5.717) 6.234 4.451 ( 1.814 4.085 -1.132) 4.611 4.619 ( 5.795 0.250 3.553) 6.802 4.727 ( -3.385 0.064 -6.420) 7.258 5.640 ( -18.257 -7.879 6.983) 21.075 5.784 ( -19.407 -7.168 -7.753) 22.094 6.267 ( 3.857 -2.745 11.295) 12.247 6.433 ( 2.841 -1.087 -4.891) 5.759 6.906 ( -3.185 3.707 4.398) 6.575 7.009 ( -2.358 8.473 -4.896) 10.066 7.198 ( -0.759 1.656 -0.903) 2.033 7.256 ( -4.867 5.176 -5.161) 8.781 7.979 ( -11.866 0.584 6.236) 13.417 8.062 ( -12.283 2.491 -1.892) 12.675 8.627 ( -4.090 -4.103 0.056) 5.793 8.663 ( -5.887 -4.507 -3.123) 8.044 9.153 ( -15.746 0.751 9.216) 18.260 9.324 ( -15.693 0.207 -8.043) 17.636 9.798 ( 9.887 0.952 3.068) 10.395 9.873 ( 7.730 3.578 -4.944) 9.849 10.691 ( 7.382 -9.394 6.669) 13.683 10.847 ( 3.890 -12.159 -9.727) 16.050 12.303 ( -0.864 4.344 11.355) 12.188 12.462 ( -2.337 1.157 -5.584) 6.163 13.857 ( 5.026 1.581 4.975) 7.247 14.005 ( 7.626 3.269 -9.612) 12.698 15.310 ( 6.691 0.734 7.756) 10.269 15.434 ( 9.533 -1.064 -4.765) 10.710 ======================= Grid point 735 (223/245) ======================= q-point: (-0.31 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 3.464 -0.173 9.753) 10.351 1.677 ( 5.117 0.397 -7.676) 9.233 2.164 ( -0.856 6.214 17.201) 18.309 2.470 ( -0.391 3.172 -11.248) 11.693 2.709 ( -8.428 0.639 6.190) 10.476 2.820 ( -8.390 1.679 -4.498) 9.667 3.245 ( -1.657 2.090 8.569) 8.974 3.385 ( 2.574 2.772 -5.366) 6.565 4.362 ( 0.151 1.403 -0.252) 1.433 4.391 ( -5.339 2.006 -2.807) 6.357 4.678 ( -1.928 1.539 6.527) 6.978 4.787 ( 5.295 0.918 -4.590) 7.068 5.402 ( -8.271 -7.950 3.501) 11.995 5.491 ( -12.973 -7.689 -5.436) 16.030 6.346 ( 2.517 -0.559 9.444) 9.789 6.469 ( 0.087 1.495 -2.614) 3.012 6.711 ( -9.795 8.202 4.247) 13.463 6.789 ( -10.611 10.714 -3.306) 15.437 7.191 ( -0.173 -1.904 1.560) 2.468 7.290 ( 2.247 -0.493 -9.049) 9.337 7.747 ( -11.428 1.776 4.165) 12.293 7.828 ( -12.001 1.203 -3.682) 12.611 8.459 ( -13.017 -2.588 1.105) 13.318 8.493 ( -11.482 0.068 -2.280) 11.706 9.026 ( -1.068 -3.770 5.825) 7.020 9.146 ( -3.484 -2.792 -6.643) 8.004 9.957 ( 6.583 -1.262 2.952) 7.324 10.014 ( 7.086 -0.636 -3.009) 7.724 10.900 ( 10.250 -5.578 4.635) 12.556 11.007 ( 7.141 -7.561 -6.673) 12.357 12.221 ( -5.456 3.026 10.626) 12.322 12.371 ( -6.534 0.734 -5.433) 8.529 13.937 ( 3.852 0.245 6.429) 7.499 14.108 ( 5.200 3.495 -10.731) 12.426 15.427 ( 6.272 1.586 11.368) 13.080 15.620 ( 9.337 -1.152 -8.307) 12.550 ======================= Grid point 736 (224/245) ======================= q-point: (-0.23 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.964 0.682 11.708) 11.768 1.745 ( 2.434 -0.271 -8.825) 9.158 2.162 ( 3.602 3.347 17.587) 18.261 2.437 ( -2.039 0.261 -8.402) 8.650 2.557 ( -8.402 -1.642 8.350) 11.959 2.693 ( -3.447 0.099 -5.482) 6.476 3.213 ( 0.122 5.380 14.094) 15.087 3.443 ( 5.110 5.283 -7.666) 10.621 4.257 ( -8.064 -0.718 3.209) 8.709 4.377 ( 1.552 0.628 -8.708) 8.867 4.549 ( -7.020 3.809 8.933) 11.983 4.743 ( -8.046 1.453 -9.723) 12.704 5.434 ( 5.245 -7.208 2.922) 9.381 5.499 ( 7.290 -6.170 -3.642) 10.221 6.305 ( -5.780 3.900 4.338) 8.212 6.380 ( -7.332 4.675 -3.264) 9.288 6.554 ( -1.121 3.798 8.453) 9.334 6.667 ( 1.491 6.198 -2.387) 6.807 7.139 ( -7.357 -3.202 4.785) 9.342 7.255 ( -5.892 -1.438 -7.148) 9.374 7.574 ( -6.873 3.258 -1.009) 7.672 7.631 ( -4.326 3.844 -6.999) 9.082 8.281 ( -6.130 -0.401 1.925) 6.438 8.310 ( -6.603 0.727 -1.069) 6.728 9.062 ( 0.977 -6.232 5.193) 8.171 9.157 ( 0.777 -4.776 -4.704) 6.748 10.057 ( 3.004 -3.142 3.789) 5.766 10.127 ( 3.758 -2.756 -3.524) 5.843 11.108 ( 8.765 -1.791 2.977) 9.429 11.170 ( 6.597 -2.561 -3.642) 7.959 12.092 ( -6.274 0.715 9.899) 11.742 12.235 ( -6.815 -0.183 -5.533) 8.781 13.996 ( 2.138 -1.163 6.406) 6.853 14.163 ( 2.540 3.257 -10.425) 11.214 15.516 ( 3.886 2.202 14.745) 15.407 15.777 ( 6.150 -1.127 -12.202) 13.710 ======================= Grid point 737 (225/245) ======================= q-point: (-0.15 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 0.000 0.987 13.151) 13.188 1.771 ( -0.000 -0.696 -10.416) 10.439 2.212 ( 0.000 1.721 15.336) 15.432 2.417 ( -0.000 -0.265 -6.433) 6.439 2.460 ( -0.000 -4.150 13.897) 14.503 2.672 ( 0.000 0.170 -6.969) 6.971 3.184 ( 0.000 6.159 16.415) 17.532 3.473 ( 0.000 6.165 -10.387) 12.079 4.164 ( -0.000 -2.280 9.382) 9.655 4.409 ( -0.000 -2.130 -15.965) 16.107 4.453 ( 0.000 5.023 6.781) 8.439 4.618 ( 0.000 4.621 -8.330) 9.525 5.552 ( -0.000 -7.285 3.789) 8.212 5.633 ( -0.000 -5.835 -4.666) 7.471 6.208 ( 0.000 3.571 3.209) 4.801 6.266 ( 0.000 3.965 -2.922) 4.926 6.548 ( 0.000 2.547 8.966) 9.321 6.664 ( 0.000 7.294 -2.694) 7.775 7.051 ( -0.000 -2.135 6.360) 6.708 7.179 ( -0.000 -2.877 -7.087) 7.649 7.481 ( 0.000 4.768 1.197) 4.916 7.592 ( 0.000 3.209 -11.122) 11.576 8.227 ( -0.000 -0.041 1.910) 1.911 8.246 ( 0.000 0.660 -0.122) 0.672 9.107 ( -0.000 -6.385 5.086) 8.163 9.192 ( -0.000 -4.420 -3.792) 5.823 10.105 ( -0.000 -3.695 4.055) 5.485 10.178 ( -0.000 -2.933 -3.757) 4.766 11.202 ( -0.000 -0.059 2.287) 2.287 11.244 ( 0.000 0.030 -2.117) 2.117 12.025 ( -0.000 -0.888 9.349) 9.391 12.165 ( -0.000 -0.601 -5.635) 5.667 14.025 ( -0.000 -2.102 5.353) 5.751 14.170 ( 0.000 3.290 -9.289) 9.854 15.541 ( 0.000 2.079 16.682) 16.811 15.843 ( -0.000 -0.937 -14.586) 14.616 ======================= Grid point 742 (226/245) ======================= q-point: ( 0.23 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -20.477 0.000 -0.930) 20.498 0.619 ( -8.311 0.000 -13.068) 15.487 2.385 ( 4.832 -0.000 1.335) 5.013 2.428 ( 0.534 -0.000 -2.988) 3.035 3.267 ( 4.601 -0.000 2.480) 5.226 3.321 ( 4.510 -0.000 -2.769) 5.292 3.582 ( -4.058 0.000 2.399) 4.714 3.647 ( -2.192 0.000 -4.193) 4.731 4.173 ( 3.631 -0.000 3.200) 4.839 4.247 ( 6.082 -0.000 -3.843) 7.194 4.917 ( 5.417 -0.000 7.576) 9.313 5.042 ( 3.517 -0.000 -5.451) 6.488 5.855 ( -4.224 0.000 14.619) 15.217 6.138 ( -2.506 0.000 -14.214) 14.433 6.556 ( -5.724 0.000 6.616) 8.748 6.624 ( -3.231 0.000 1.928) 3.762 6.775 ( -2.131 0.000 -3.852) 4.402 6.814 ( 0.464 -0.000 -6.160) 6.178 7.431 ( 5.790 -0.000 7.084) 9.149 7.589 ( 7.011 -0.000 -8.590) 11.088 8.266 ( 3.695 -0.000 1.746) 4.087 8.286 ( 3.737 -0.000 -0.410) 3.759 8.844 ( -0.769 0.000 8.416) 8.451 8.948 ( -1.945 0.000 -1.695) 2.580 9.138 ( -0.316 0.000 3.078) 3.094 9.205 ( -2.258 0.000 -3.816) 4.434 10.093 ( 5.684 -0.000 6.221) 8.426 10.248 ( 4.977 -0.000 -9.500) 10.724 10.824 ( -2.344 0.000 19.733) 19.871 11.227 ( -3.484 0.000 -22.044) 22.318 12.047 ( 0.298 -0.000 15.077) 15.080 12.300 ( -1.260 0.000 -11.500) 11.569 13.540 ( 0.157 -0.000 1.774) 1.781 13.603 ( -1.415 0.000 -4.903) 5.103 15.053 ( -1.779 0.000 1.766) 2.507 15.065 ( -2.319 0.000 0.772) 2.444 ======================= Grid point 743 (227/245) ======================= q-point: (-0.69 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 13.957 -0.791 7.613) 15.918 0.661 ( 11.999 -0.384 -18.352) 21.930 2.416 ( -1.743 0.213 0.673) 1.881 2.460 ( 2.840 0.019 -3.494) 4.503 3.294 ( -1.401 0.085 2.215) 2.622 3.342 ( -2.184 0.500 -2.794) 3.581 3.539 ( -0.656 -0.456 1.600) 1.788 3.592 ( -2.962 0.202 -3.552) 4.630 4.225 ( 1.689 0.383 5.916) 6.165 4.335 ( 3.486 0.937 -4.515) 5.780 4.952 ( -2.722 -0.529 7.694) 8.178 5.083 ( -0.086 -0.737 -5.743) 5.791 5.819 ( 0.821 0.334 15.753) 15.778 6.125 ( 1.417 0.320 -15.851) 15.918 6.466 ( -2.933 3.672 5.566) 7.285 6.523 ( -7.586 -2.621 1.752) 8.215 6.724 ( -2.157 1.166 -2.468) 3.479 6.788 ( -4.173 -5.156 -7.587) 10.078 7.508 ( 2.849 2.052 8.467) 9.166 7.677 ( 2.513 1.671 -8.429) 8.953 8.336 ( 3.131 -1.014 2.168) 3.941 8.363 ( 3.399 -2.794 -0.733) 4.461 8.753 ( -7.009 2.361 7.591) 10.599 8.842 ( -6.628 0.866 -1.080) 6.771 9.220 ( 7.251 2.854 1.881) 8.016 9.272 ( 6.991 -2.236 -3.607) 8.178 10.151 ( 0.977 -0.744 5.385) 5.524 10.247 ( -3.892 -0.725 -2.421) 4.641 10.708 ( -10.677 -0.252 12.931) 16.771 11.044 ( -15.860 -0.559 -19.723) 25.315 12.109 ( 6.040 0.463 13.014) 14.355 12.322 ( 3.553 0.105 -9.269) 9.927 13.591 ( 5.112 0.242 -0.129) 5.119 13.622 ( 3.232 0.082 -3.596) 4.836 15.049 ( 1.306 -0.006 1.495) 1.985 15.058 ( 1.657 -0.069 0.681) 1.793 ======================= Grid point 744 (228/245) ======================= q-point: (-0.62 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 22.565 -0.903 6.874) 23.606 0.974 ( 18.933 -0.039 -13.007) 22.970 2.366 ( -2.986 0.582 4.470) 5.407 2.490 ( 0.796 0.633 -7.703) 7.770 3.241 ( -4.132 2.080 1.153) 4.767 3.266 ( -4.016 0.350 -1.440) 4.280 3.497 ( -4.609 1.153 1.066) 4.869 3.541 ( -3.669 -2.462 -3.306) 5.518 4.257 ( 3.493 2.021 6.968) 8.052 4.386 ( 3.499 2.096 -5.270) 6.664 4.822 ( -10.343 -0.272 11.120) 15.189 5.022 ( -6.719 -0.434 -8.853) 11.123 5.870 ( 3.407 -0.279 16.207) 16.564 6.159 ( 0.642 0.860 -12.382) 12.428 6.330 ( -10.852 -3.119 3.094) 11.707 6.400 ( -7.324 -1.058 -2.501) 7.812 6.735 ( 3.829 -1.547 -1.442) 4.374 6.774 ( 2.166 -3.370 -5.894) 7.126 7.509 ( -1.075 4.626 8.187) 9.465 7.660 ( -2.801 3.756 -6.925) 8.361 8.355 ( -3.134 -0.405 5.726) 6.540 8.420 ( -0.983 -5.063 -1.159) 5.286 8.614 ( -4.329 3.266 4.645) 7.140 8.717 ( -5.743 1.058 -4.398) 7.311 9.357 ( 8.778 3.001 3.764) 10.011 9.432 ( 8.445 -0.766 -3.966) 9.361 10.060 ( -13.110 4.308 10.549) 17.370 10.184 ( -3.606 -3.429 -1.257) 5.132 10.483 ( -10.647 -0.970 3.958) 11.401 10.714 ( -17.638 -7.567 -16.865) 25.550 12.236 ( 7.251 1.732 11.598) 13.788 12.408 ( 4.969 0.427 -6.576) 8.253 13.696 ( 5.655 1.652 -0.938) 5.965 13.724 ( 7.907 0.066 -3.545) 8.666 15.100 ( 4.140 0.123 2.177) 4.679 15.125 ( 5.253 -0.435 -0.156) 5.273 ======================= Grid point 745 (229/245) ======================= q-point: (-0.54 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 16.834 -0.362 6.608) 18.088 1.311 ( 16.096 0.391 -9.065) 18.477 2.316 ( -1.388 1.932 8.210) 8.548 2.500 ( 1.162 1.180 -9.901) 10.039 3.106 ( -8.061 4.042 4.861) 10.244 3.190 ( -4.566 3.497 -3.432) 6.697 3.388 ( -5.917 -1.192 1.583) 6.240 3.453 ( -6.648 -2.879 -4.947) 8.772 4.349 ( 7.452 3.745 5.863) 10.194 4.456 ( 5.267 3.718 -4.205) 7.697 4.627 ( -8.838 -1.035 12.366) 15.235 4.861 ( -9.768 -0.696 -10.567) 14.407 5.844 ( -10.592 -3.104 11.396) 15.865 6.038 ( -14.226 -1.800 -8.042) 16.441 6.183 ( -3.058 -3.752 7.991) 9.342 6.349 ( 1.743 -2.504 -7.322) 7.933 6.834 ( 5.453 -2.420 1.998) 6.292 6.923 ( 10.398 -0.121 -7.818) 13.010 7.410 ( -6.236 7.131 6.844) 11.687 7.534 ( -7.655 6.233 -5.566) 11.333 8.204 ( -11.563 -0.045 8.861) 14.568 8.315 ( -11.352 -1.542 -1.430) 11.545 8.598 ( 1.602 0.683 -0.271) 1.763 8.651 ( -1.402 -1.756 -4.771) 5.274 9.461 ( -2.608 0.610 4.857) 5.546 9.536 ( -3.248 -1.592 -2.634) 4.474 9.737 ( -8.093 5.039 12.208) 15.489 9.990 ( -12.345 6.094 -13.026) 18.953 10.437 ( 3.344 -6.795 6.169) 9.768 10.601 ( -1.527 -13.536 -10.996) 17.506 12.336 ( 4.220 3.155 10.644) 11.877 12.477 ( 2.088 0.485 -4.450) 4.940 13.790 ( 5.308 1.739 2.014) 5.938 13.885 ( 9.130 1.424 -6.947) 11.561 15.197 ( 6.157 0.446 3.805) 7.252 15.253 ( 7.811 -0.909 -1.632) 8.032 ======================= Grid point 746 (230/245) ======================= q-point: (-0.46 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 8.635 -0.023 7.579) 11.490 1.550 ( 9.766 0.590 -8.207) 12.771 2.286 ( -0.437 4.968 12.478) 13.438 2.517 ( 0.970 2.098 -9.714) 9.985 2.912 ( -10.014 3.195 6.953) 12.603 3.039 ( -8.834 4.611 -5.976) 11.620 3.301 ( -3.903 -0.878 3.720) 5.463 3.379 ( -1.563 -1.875 -4.753) 5.344 4.405 ( -1.617 2.489 7.091) 7.687 4.495 ( 1.379 3.996 -0.968) 4.336 4.625 ( 7.088 0.944 1.875) 7.392 4.722 ( -2.700 -1.066 -6.666) 7.270 5.564 ( -18.751 -6.348 7.525) 21.178 5.716 ( -20.220 -5.537 -8.247) 22.528 6.242 ( 4.905 -1.951 11.711) 12.846 6.420 ( 3.778 -1.303 -5.962) 7.178 6.927 ( 1.532 0.584 5.654) 5.887 7.080 ( 3.414 4.615 -9.096) 10.756 7.232 ( -5.645 4.898 3.137) 8.105 7.325 ( -9.012 7.183 -5.077) 12.593 7.975 ( -12.632 -1.234 7.234) 14.609 8.075 ( -13.585 -0.164 -2.313) 13.781 8.587 ( -4.782 -3.093 0.358) 5.706 8.636 ( -2.850 -0.681 -4.198) 5.119 9.158 ( -17.025 0.329 8.597) 19.075 9.315 ( -16.764 -1.621 -7.200) 18.316 9.808 ( 8.336 0.976 4.441) 9.495 9.913 ( 4.718 3.739 -6.672) 8.986 10.603 ( 9.588 -6.914 4.926) 12.806 10.722 ( 6.308 -11.119 -7.649) 14.898 12.347 ( -1.233 3.795 9.810) 10.591 12.470 ( -2.697 0.282 -3.548) 4.466 13.874 ( 4.549 1.500 5.436) 7.245 14.036 ( 7.753 2.400 -10.182) 13.020 15.320 ( 7.311 1.196 6.255) 9.696 15.421 ( 9.273 -1.407 -3.732) 10.095 ======================= Grid point 747 (231/245) ======================= q-point: (-0.38 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 3.889 0.348 9.323) 10.108 1.682 ( 5.066 0.539 -8.709) 10.090 2.234 ( -1.382 6.735 15.540) 16.993 2.496 ( -2.092 1.580 -8.902) 9.280 2.717 ( -9.451 0.857 6.580) 11.548 2.839 ( -9.959 1.801 -5.925) 11.727 3.266 ( 0.341 2.043 9.345) 9.572 3.408 ( 4.177 1.584 -5.150) 6.817 4.375 ( -0.194 0.919 -0.311) 0.989 4.409 ( -6.900 1.321 -3.637) 7.911 4.703 ( -0.329 3.172 6.432) 7.179 4.800 ( 5.552 1.575 -3.877) 6.952 5.320 ( -7.686 -7.328 3.682) 11.240 5.412 ( -12.666 -7.130 -5.526) 15.550 6.341 ( 4.264 -0.356 10.237) 11.095 6.480 ( 1.592 0.605 -3.644) 4.022 6.797 ( -10.261 7.762 5.609) 14.036 6.900 ( -12.126 9.979 -3.808) 16.159 7.177 ( -1.778 -0.525 1.643) 2.477 7.284 ( 1.450 -0.534 -9.677) 9.799 7.758 ( -10.164 0.259 4.399) 11.078 7.835 ( -11.723 -0.063 -3.093) 12.124 8.435 ( -10.946 -1.770 2.408) 11.347 8.501 ( -10.356 1.483 -4.153) 11.256 8.987 ( -3.264 -3.393 5.788) 7.461 9.109 ( -5.658 -4.179 -6.762) 9.757 9.943 ( 5.342 -1.442 3.207) 6.395 10.006 ( 5.032 -0.798 -3.516) 6.190 10.846 ( 12.618 -4.347 3.547) 13.809 10.928 ( 10.058 -6.965 -5.158) 13.277 12.254 ( -6.387 3.058 9.332) 11.715 12.375 ( -7.138 -0.101 -3.769) 8.073 13.942 ( 3.332 0.791 7.675) 8.404 14.141 ( 4.918 2.689 -11.869) 13.126 15.448 ( 7.001 2.267 9.258) 11.826 15.605 ( 9.111 -1.744 -6.626) 11.400 ======================= Grid point 748 (232/245) ======================= q-point: (-0.31 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 1.722 1.264 10.777) 10.987 1.747 ( 2.386 0.600 -8.894) 9.228 2.203 ( 2.028 4.283 15.744) 16.441 2.437 ( -3.227 -0.230 -5.524) 6.402 2.544 ( -9.171 -0.780 7.198) 11.684 2.687 ( -4.853 -1.074 -7.523) 9.017 3.271 ( 1.710 5.372 15.026) 16.049 3.497 ( 6.268 4.775 -6.892) 10.468 4.245 ( -9.783 -1.284 3.428) 10.446 4.379 ( -0.008 -0.258 -9.923) 9.927 4.596 ( -5.381 4.946 8.440) 11.164 4.762 ( -6.544 1.955 -7.747) 10.328 5.362 ( 5.801 -6.039 3.322) 9.008 5.433 ( 7.878 -6.016 -3.846) 10.633 6.349 ( -4.182 4.205 5.178) 7.873 6.426 ( -6.000 3.789 -2.260) 7.448 6.601 ( -4.078 4.925 7.872) 10.141 6.730 ( 0.607 5.638 -3.817) 6.836 7.106 ( -7.162 -2.958 4.601) 9.012 7.233 ( -7.558 -2.817 -8.359) 11.616 7.613 ( -4.798 3.913 0.333) 6.200 7.673 ( -3.154 3.980 -6.324) 8.111 8.278 ( -5.575 -0.182 2.441) 6.089 8.319 ( -6.748 1.112 -1.878) 7.092 8.994 ( 0.082 -6.284 5.318) 8.232 9.097 ( -0.140 -6.201 -5.454) 8.259 10.023 ( 2.180 -3.169 3.714) 5.347 10.093 ( 2.786 -3.492 -3.658) 5.773 11.089 ( 10.456 -1.566 2.597) 10.887 11.143 ( 9.094 -2.508 -3.020) 9.905 12.102 ( -7.531 1.153 9.298) 12.021 12.229 ( -7.602 -0.957 -4.532) 8.902 13.989 ( 1.781 -0.179 8.261) 8.453 14.193 ( 2.226 2.526 -12.054) 12.516 15.544 ( 4.354 3.081 12.335) 13.439 15.761 ( 5.999 -1.817 -10.012) 11.813 ======================= Grid point 749 (233/245) ======================= q-point: (-0.23 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.000 1.800 11.914) 12.050 1.768 ( 0.000 0.150 -9.461) 9.462 2.234 ( 0.000 2.285 13.860) 14.047 2.413 ( -0.000 -0.506 -5.076) 5.102 2.426 ( -0.000 -2.265 13.335) 13.526 2.661 ( -0.000 -2.210 -10.434) 10.666 3.256 ( 0.000 7.070 17.904) 19.249 3.541 ( 0.000 6.497 -9.450) 11.468 4.137 ( -0.000 -2.718 9.413) 9.798 4.384 ( -0.000 -2.502 -16.013) 16.207 4.513 ( 0.000 6.126 6.973) 9.282 4.668 ( 0.000 4.470 -7.293) 8.554 5.477 ( -0.000 -6.544 4.570) 7.982 5.571 ( -0.000 -5.772 -5.155) 7.739 6.252 ( 0.000 4.638 3.496) 5.807 6.314 ( 0.000 4.867 -3.015) 5.725 6.577 ( 0.000 2.642 10.597) 10.921 6.737 ( 0.000 6.235 -5.266) 8.162 7.025 ( -0.000 -2.625 5.654) 6.234 7.143 ( -0.000 -3.942 -6.631) 7.714 7.539 ( 0.000 6.098 0.845) 6.156 7.634 ( 0.000 4.529 -9.936) 10.920 8.227 ( 0.000 0.077 2.273) 2.275 8.253 ( 0.000 0.657 -0.481) 0.814 9.034 ( -0.000 -7.192 5.498) 9.053 9.134 ( -0.000 -6.424 -4.952) 8.111 10.063 ( -0.000 -4.010 4.224) 5.824 10.141 ( -0.000 -4.058 -4.014) 5.708 11.201 ( -0.000 -0.070 2.343) 2.344 11.244 ( 0.000 0.035 -2.170) 2.170 12.017 ( -0.000 -0.530 9.511) 9.526 12.154 ( -0.000 -1.481 -5.246) 5.451 14.009 ( -0.000 -0.955 7.704) 7.763 14.201 ( 0.000 2.601 -11.488) 11.779 15.569 ( 0.000 3.100 14.531) 14.858 15.830 ( -0.000 -1.609 -12.425) 12.529 ======================= Grid point 756 (234/245) ======================= q-point: (-0.69 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 22.810 -0.000 7.116) 23.894 0.973 ( 19.055 -0.000 -13.227) 23.196 2.369 ( -2.880 0.000 4.342) 5.211 2.493 ( 0.842 -0.000 -7.867) 7.912 3.255 ( -2.065 0.000 0.640) 2.162 3.265 ( -5.395 0.000 -0.739) 5.445 3.516 ( -2.926 0.000 -1.087) 3.121 3.516 ( -5.642 0.000 -1.072) 5.743 4.269 ( 3.771 -0.000 6.958) 7.915 4.397 ( 3.599 -0.000 -5.168) 6.298 4.820 ( -10.324 0.000 11.016) 15.098 5.019 ( -6.628 0.000 -8.766) 10.989 5.869 ( 3.152 -0.000 16.200) 16.504 6.166 ( 1.170 -0.000 -13.921) 13.970 6.312 ( -12.450 0.000 5.248) 13.511 6.395 ( -7.920 0.000 -2.824) 8.408 6.727 ( 2.425 -0.000 -1.784) 3.010 6.754 ( 4.772 -0.000 -5.989) 7.658 7.535 ( -0.822 0.000 8.059) 8.101 7.680 ( -2.658 0.000 -6.448) 6.974 8.359 ( -2.568 0.000 3.908) 4.676 8.383 ( -1.064 0.000 0.625) 1.234 8.633 ( -4.475 0.000 3.913) 5.945 8.723 ( -6.154 0.000 -3.811) 7.238 9.378 ( 8.374 -0.000 2.324) 8.691 9.423 ( 8.564 -0.000 -2.346) 8.880 10.094 ( -13.960 0.000 10.485) 17.459 10.153 ( -1.078 0.000 1.818) 2.113 10.482 ( -9.294 0.000 0.274) 9.298 10.670 ( -21.053 0.000 -16.471) 26.730 12.245 ( 7.449 -0.000 11.304) 13.538 12.410 ( 4.970 -0.000 -6.162) 7.916 13.706 ( 5.242 -0.000 -1.626) 5.488 13.724 ( 8.538 -0.000 -2.914) 9.021 15.101 ( 4.206 -0.000 1.937) 4.630 15.123 ( 5.158 -0.000 0.008) 5.158 ======================= Grid point 758 (235/245) ======================= q-point: (-0.62 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 17.083 -0.116 6.819) 18.395 1.313 ( 16.222 0.138 -9.396) 18.748 2.329 ( -0.730 0.666 7.616) 7.680 2.507 ( 1.215 0.331 -9.970) 10.049 3.140 ( -7.904 1.968 4.903) 9.507 3.214 ( -3.091 0.968 -2.155) 3.891 3.388 ( -6.424 0.974 -0.340) 6.507 3.422 ( -7.118 -2.521 -3.719) 8.417 4.380 ( 8.259 1.693 5.718) 10.187 4.483 ( 5.329 1.250 -2.881) 6.185 4.618 ( -9.305 -0.450 11.335) 14.672 4.854 ( -10.284 -0.495 -10.768) 14.898 5.822 ( -11.999 -1.037 11.694) 16.787 6.026 ( -16.451 -0.515 -9.545) 19.026 6.156 ( -1.136 -1.371 9.308) 9.477 6.330 ( 2.364 -1.012 -7.692) 8.111 6.816 ( 6.112 -0.889 2.876) 6.814 6.922 ( 11.051 -0.046 -8.588) 13.996 7.467 ( -5.871 3.000 6.620) 9.343 7.580 ( -7.251 2.235 -4.709) 8.930 8.204 ( -12.253 0.084 7.841) 14.547 8.291 ( -10.008 -2.010 -0.181) 10.209 8.615 ( 0.675 1.996 -1.969) 2.884 8.636 ( -2.109 -1.281 -3.714) 4.459 9.469 ( -4.671 0.697 3.837) 6.085 9.520 ( -2.338 -1.097 -1.501) 2.987 9.778 ( -9.808 2.195 13.323) 16.689 10.035 ( -10.660 2.148 -11.783) 16.034 10.409 ( 2.247 2.001 -0.268) 3.021 10.475 ( -0.045 -9.764 -6.999) 12.013 12.359 ( 4.425 1.193 9.782) 10.802 12.479 ( 1.874 0.080 -3.297) 3.794 13.803 ( 5.120 0.638 1.743) 5.447 13.895 ( 9.435 0.482 -6.759) 11.616 15.201 ( 6.427 0.293 2.990) 7.095 15.245 ( 7.597 -0.457 -1.055) 7.683 ======================= Grid point 759 (236/245) ======================= q-point: (-0.54 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 8.817 0.063 7.554) 11.611 1.555 ( 9.710 0.350 -8.744) 13.072 2.329 ( 0.902 2.944 11.075) 11.495 2.531 ( 0.706 0.612 -8.491) 8.542 2.943 ( -11.217 2.392 7.732) 13.832 3.082 ( -9.968 3.127 -6.180) 12.138 3.297 ( -2.638 0.322 2.501) 3.649 3.354 ( -0.490 -2.786 -3.743) 4.692 4.428 ( -4.074 1.604 8.575) 9.628 4.530 ( 2.356 2.359 0.179) 3.339 4.641 ( 7.526 2.176 -1.198) 7.925 4.704 ( -1.573 -2.271 -6.500) 7.063 5.511 ( -19.258 -3.534 8.042) 21.167 5.670 ( -20.872 -3.008 -8.619) 22.781 6.226 ( 5.571 -1.041 11.720) 13.019 6.408 ( 4.423 -0.911 -6.520) 7.932 6.927 ( 3.839 -0.232 6.674) 7.703 7.109 ( 7.265 1.432 -11.918) 14.031 7.289 ( -9.452 4.878 5.674) 12.055 7.393 ( -10.104 4.933 -4.589) 12.145 7.959 ( -13.258 -1.442 7.077) 15.098 8.062 ( -14.140 -1.835 -2.586) 14.491 8.566 ( -5.016 -0.970 1.641) 5.366 8.639 ( -1.340 0.665 -5.333) 5.539 9.161 ( -17.824 0.175 7.416) 19.306 9.295 ( -17.712 -1.814 -6.056) 18.807 9.817 ( 6.864 0.636 5.693) 8.941 9.948 ( 2.038 2.525 -8.077) 8.704 10.553 ( 11.174 -2.349 2.186) 11.626 10.619 ( 8.913 -8.054 -4.830) 12.948 12.380 ( -1.394 2.443 8.313) 8.776 12.469 ( -3.067 -0.300 -1.721) 3.529 13.887 ( 4.272 0.905 5.653) 7.144 14.055 ( 7.798 1.246 -10.335) 13.007 15.333 ( 7.937 1.191 4.485) 9.194 15.406 ( 8.920 -1.284 -2.388) 9.323 ======================= Grid point 760 (237/245) ======================= q-point: (-0.46 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 4.306 0.517 8.879) 9.882 1.688 ( 5.182 0.476 -9.273) 10.633 2.301 ( -1.479 5.731 13.182) 14.450 2.502 ( -3.414 -0.219 -5.553) 6.522 2.727 ( -10.483 0.977 6.503) 12.375 2.855 ( -11.753 1.213 -6.531) 13.500 3.288 ( 1.863 1.907 8.841) 9.235 3.417 ( 5.865 0.183 -4.660) 7.493 4.381 ( -0.628 0.344 -0.308) 0.779 4.419 ( -8.607 0.679 -4.115) 9.564 4.740 ( 1.244 3.524 5.824) 6.920 4.818 ( 6.039 1.584 -2.778) 6.833 5.252 ( -6.813 -5.312 3.686) 9.392 5.345 ( -12.833 -5.241 -5.669) 14.977 6.338 ( 5.437 -0.255 10.420) 11.756 6.483 ( 2.638 -0.021 -4.265) 5.015 6.870 ( -9.262 5.750 6.968) 12.938 6.989 ( -12.758 6.370 -2.095) 14.413 7.185 ( -4.406 2.202 -0.698) 4.975 7.276 ( -0.449 -1.155 -9.653) 9.732 7.754 ( -8.555 -0.918 4.454) 9.689 7.827 ( -10.619 -1.239 -2.889) 11.075 8.423 ( -9.525 -0.503 3.954) 10.325 8.522 ( -9.816 2.274 -5.911) 11.682 8.956 ( -5.086 -2.445 5.090) 7.600 9.063 ( -7.126 -4.209 -6.007) 10.226 9.929 ( 4.421 -1.151 3.315) 5.644 9.998 ( 2.985 -0.708 -4.084) 5.108 10.811 ( 14.302 -2.253 2.126) 14.634 10.863 ( 12.782 -5.170 -3.415) 14.204 12.284 ( -7.092 2.589 7.710) 10.791 12.370 ( -7.631 -0.770 -1.870) 7.894 13.951 ( 2.986 0.779 8.394) 8.943 14.165 ( 4.656 1.654 -12.256) 13.214 15.474 ( 7.762 2.584 6.453) 10.420 15.584 ( 8.773 -2.147 -4.366) 10.032 ======================= Grid point 761 (238/245) ======================= q-point: (-0.38 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 2.456 1.504 9.961) 10.369 1.756 ( 2.634 1.042 -9.176) 9.603 2.251 ( 0.330 4.658 13.291) 14.088 2.431 ( -3.800 -0.940 -2.762) 4.791 2.539 ( -9.408 -0.137 6.181) 11.258 2.672 ( -6.826 -1.807 -7.476) 10.284 3.323 ( 2.962 4.291 14.850) 15.739 3.541 ( 7.424 3.342 -6.343) 10.321 4.232 ( -10.951 -1.218 3.391) 11.528 4.373 ( -1.312 -0.804 -10.699) 10.809 4.648 ( -4.734 4.561 7.713) 10.135 4.781 ( -5.971 1.535 -5.544) 8.291 5.311 ( 6.982 -3.480 2.872) 8.313 5.375 ( 9.011 -4.854 -3.582) 10.844 6.390 ( -1.576 3.467 5.664) 6.826 6.457 ( -4.740 2.184 -0.784) 5.277 6.654 ( -7.271 4.946 7.087) 11.294 6.785 ( -1.622 4.545 -3.989) 6.261 7.080 ( -7.222 -1.799 3.228) 8.113 7.197 ( -8.955 -3.907 -8.510) 12.957 7.652 ( -2.409 3.344 1.181) 4.288 7.712 ( -1.442 3.301 -5.876) 6.893 8.278 ( -5.269 0.126 2.985) 6.058 8.333 ( -7.371 1.446 -2.752) 8.000 8.933 ( -0.743 -5.171 4.886) 7.153 9.031 ( -0.849 -6.093 -5.415) 8.196 9.993 ( 1.696 -2.363 3.073) 4.231 10.056 ( 1.801 -3.455 -3.508) 5.243 11.075 ( 11.710 -1.058 2.160) 11.954 11.119 ( 11.323 -1.936 -2.377) 11.731 12.115 ( -8.591 1.409 8.085) 11.881 12.216 ( -8.308 -1.479 -3.013) 8.960 13.990 ( 1.512 0.339 9.397) 9.524 14.216 ( 1.937 1.683 -12.672) 12.929 15.580 ( 4.839 3.647 8.965) 10.821 15.738 ( 5.803 -2.515 -7.122) 9.525 ======================= Grid point 762 (239/245) ======================= q-point: (-0.31 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.000 2.289 10.679) 10.921 1.775 ( 0.000 1.163 -9.044) 9.118 2.259 ( 0.000 2.491 11.978) 12.234 2.406 ( -0.000 -0.793 -3.311) 3.405 2.412 ( -0.000 -0.424 11.703) 11.711 2.629 ( -0.000 -3.643 -10.490) 11.105 3.327 ( 0.000 6.115 17.851) 18.869 3.605 ( 0.000 5.505 -9.029) 10.575 4.109 ( -0.000 -2.532 9.455) 9.788 4.358 ( -0.000 -2.298 -16.090) 16.253 4.577 ( 0.000 5.586 6.639) 8.677 4.707 ( 0.000 2.898 -5.417) 6.144 5.421 ( -0.000 -3.802 4.564) 5.940 5.516 ( -0.000 -4.525 -5.190) 6.886 6.303 ( 0.000 4.892 3.700) 6.134 6.365 ( 0.000 4.637 -2.823) 5.429 6.601 ( 0.000 1.918 11.700) 11.856 6.792 ( 0.000 4.198 -6.909) 8.085 6.998 ( -0.000 -2.356 4.452) 5.037 7.097 ( -0.000 -4.504 -5.874) 7.402 7.605 ( 0.000 6.205 0.562) 6.230 7.685 ( 0.000 4.938 -8.841) 10.127 8.228 ( 0.000 0.130 2.555) 2.558 8.260 ( 0.000 0.550 -0.760) 0.938 8.960 ( -0.000 -6.591 5.302) 8.459 9.061 ( -0.000 -6.992 -5.360) 8.811 10.024 ( -0.000 -3.260 3.663) 4.904 10.095 ( -0.000 -4.445 -3.873) 5.895 11.200 ( -0.000 -0.065 2.402) 2.402 11.245 ( 0.000 0.032 -2.224) 2.225 12.015 ( 0.000 0.052 8.918) 8.919 12.134 ( -0.000 -2.104 -4.182) 4.682 14.004 ( -0.000 -0.099 9.224) 9.224 14.224 ( 0.000 1.831 -12.509) 12.643 15.606 ( 0.000 3.862 11.292) 11.934 15.809 ( -0.000 -2.361 -9.502) 9.791 ======================= Grid point 771 (240/245) ======================= q-point: (-0.62 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 8.894 -0.000 7.541) 11.661 1.557 ( 9.693 -0.000 -8.920) 13.173 2.345 ( 1.486 -0.000 10.452) 10.557 2.533 ( 0.509 -0.000 -7.879) 7.896 2.956 ( -11.756 0.000 8.004) 14.222 3.099 ( -10.557 0.000 -5.898) 12.093 3.304 ( -2.702 0.000 0.762) 2.807 3.332 ( 0.669 -0.000 -2.499) 2.587 4.437 ( -5.336 0.000 9.282) 10.707 4.543 ( 3.711 -0.000 0.933) 3.827 4.662 ( 9.232 -0.000 -2.648) 9.604 4.682 ( -3.243 0.000 -6.612) 7.364 5.492 ( -19.489 0.000 8.254) 21.164 5.654 ( -21.131 0.000 -8.754) 22.872 6.221 ( 5.800 -0.000 11.669) 13.031 6.403 ( 4.657 -0.000 -6.687) 8.149 6.925 ( 4.477 -0.000 7.062) 8.361 7.116 ( 8.103 -0.000 -12.513) 14.908 7.318 ( -10.369 0.000 6.091) 12.026 7.420 ( -10.126 0.000 -4.160) 10.947 7.950 ( -13.539 0.000 6.610) 15.067 8.049 ( -14.214 0.000 -2.566) 14.443 8.562 ( -5.122 0.000 2.216) 5.581 8.643 ( -0.872 0.000 -5.702) 5.768 9.162 ( -18.088 0.000 6.763) 19.311 9.284 ( -18.141 0.000 -5.466) 18.947 9.821 ( 6.239 -0.000 6.218) 8.809 9.962 ( 0.913 -0.000 -8.623) 8.671 10.554 ( 11.513 -0.000 -1.000) 11.557 10.561 ( 10.351 -0.000 -1.660) 10.483 12.394 ( -1.375 0.000 7.622) 7.745 12.467 ( -3.279 0.000 -0.916) 3.405 13.892 ( 4.182 -0.000 5.713) 7.080 14.062 ( 7.808 -0.000 -10.342) 12.959 15.341 ( 8.282 -0.000 3.511) 8.995 15.398 ( 8.678 -0.000 -1.589) 8.822 ======================= Grid point 773 (241/245) ======================= q-point: (-0.54 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 4.580 0.239 8.594) 9.741 1.691 ( 5.283 0.189 -9.491) 10.864 2.347 ( -1.117 2.525 11.119) 11.457 2.496 ( -4.359 -0.615 -2.838) 5.238 2.736 ( -11.156 0.475 6.247) 12.795 2.863 ( -12.985 0.361 -6.312) 14.443 3.304 ( 2.405 0.945 7.735) 8.155 3.416 ( 7.225 -0.267 -4.078) 8.301 4.383 ( -0.922 0.054 -0.254) 0.958 4.424 ( -9.659 0.212 -4.383) 10.609 4.770 ( 2.288 1.653 5.264) 5.973 4.830 ( 6.312 0.623 -1.823) 6.599 5.213 ( -6.031 -1.981 3.571) 7.283 5.306 ( -13.252 -1.992 -5.788) 14.598 6.336 ( 6.029 -0.099 10.365) 11.991 6.482 ( 3.147 -0.098 -4.522) 5.510 6.913 ( -7.162 2.145 7.816) 10.816 7.031 ( -13.620 1.770 0.876) 13.763 7.220 ( -6.020 3.882 -4.902) 8.679 7.257 ( -2.982 -2.630 -8.638) 9.509 7.745 ( -7.470 -0.601 4.361) 8.671 7.814 ( -9.218 -0.812 -2.904) 9.698 8.421 ( -8.923 0.038 5.043) 10.250 8.542 ( -9.662 1.166 -7.013) 11.995 8.938 ( -6.178 -0.870 4.338) 7.599 9.028 ( -7.755 -1.915 -5.123) 9.489 9.920 ( 3.963 -0.440 3.325) 5.192 9.992 ( 1.681 -0.286 -4.461) 4.776 10.799 ( 14.699 -0.103 0.617) 14.712 10.822 ( 14.878 -2.456 -1.720) 15.177 12.306 ( -7.456 1.254 6.358) 9.879 12.361 ( -7.919 -0.647 -0.373) 7.954 13.957 ( 2.817 0.317 8.713) 9.163 14.176 ( 4.507 0.553 -12.293) 13.104 15.499 ( 8.492 1.654 3.713) 9.415 15.563 ( 8.283 -1.483 -2.005) 8.650 ======================= Grid point 774 (242/245) ======================= q-point: (-0.46 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 3.007 1.057 9.388) 9.915 1.766 ( 2.970 0.737 -9.311) 9.801 2.297 ( -1.107 3.799 10.515) 11.235 2.418 ( -3.694 -1.489 -0.265) 3.991 2.541 ( -9.275 0.286 5.154) 10.615 2.652 ( -8.728 -1.624 -6.157) 10.804 3.359 ( 3.625 2.420 14.194) 14.848 3.567 ( 8.368 1.615 -5.956) 10.398 4.221 ( -11.607 -0.694 3.196) 12.059 4.364 ( -2.040 -0.634 -11.005) 11.211 4.687 ( -4.853 2.687 7.012) 8.941 4.793 ( -6.164 0.663 -3.711) 7.226 5.289 ( 8.217 -0.767 1.637) 8.414 5.332 ( 10.268 -3.198 -2.709) 11.091 6.420 ( 1.462 1.960 5.757) 6.255 6.473 ( -4.676 0.808 0.178) 4.748 6.700 ( -9.719 3.422 7.089) 12.507 6.822 ( -3.752 2.312 -2.637) 5.136 7.073 ( -7.516 0.814 -0.010) 7.560 7.152 ( -9.735 -4.372 -7.610) 13.107 7.680 ( -0.272 1.885 1.669) 2.533 7.740 ( 0.074 1.855 -5.732) 6.025 8.280 ( -5.280 0.247 3.468) 6.322 8.348 ( -8.235 1.155 -3.479) 9.014 8.889 ( -1.282 -2.942 4.249) 5.325 8.976 ( -1.189 -3.945 -4.980) 6.463 9.975 ( 1.572 -1.123 2.194) 2.923 10.024 ( 0.998 -2.277 -3.118) 3.988 11.067 ( 12.360 -0.499 1.794) 12.499 11.103 ( 12.892 -1.050 -1.881) 13.071 12.130 ( -9.318 1.239 6.681) 11.532 12.200 ( -8.751 -1.356 -1.429) 8.970 13.994 ( 1.351 0.336 9.985) 10.081 14.229 ( 1.745 0.830 -12.733) 12.879 15.619 ( 5.320 3.570 5.048) 8.157 15.709 ( 5.519 -2.899 -3.681) 7.240 ======================= Grid point 775 (243/245) ======================= q-point: (-0.38 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.000 2.018 9.762) 9.969 1.789 ( 0.000 1.340 -8.959) 9.059 2.284 ( 0.000 2.163 9.955) 10.187 2.397 ( -0.000 -0.945 -1.377) 1.670 2.417 ( 0.000 1.201 9.135) 9.213 2.587 ( -0.000 -4.100 -8.352) 9.304 3.382 ( 0.000 4.054 17.231) 17.702 3.654 ( 0.000 3.627 -9.018) 9.720 4.086 ( -0.000 -1.781 9.495) 9.660 4.337 ( -0.000 -1.599 -16.173) 16.252 4.627 ( 0.000 3.724 5.979) 7.044 4.728 ( 0.000 1.112 -3.263) 3.447 5.397 ( -0.000 -0.781 3.548) 3.633 5.475 ( -0.000 -3.105 -4.411) 5.394 6.352 ( 0.000 4.044 3.705) 5.484 6.408 ( 0.000 3.176 -2.202) 3.864 6.617 ( 0.000 1.060 12.349) 12.395 6.826 ( 0.000 2.207 -7.681) 7.992 6.979 ( -0.000 -1.117 2.616) 2.844 7.050 ( -0.000 -4.263 -4.695) 6.342 7.665 ( 0.000 4.830 0.344) 4.843 7.733 ( 0.000 3.851 -8.036) 8.911 8.230 ( 0.000 0.112 2.743) 2.745 8.264 ( 0.000 0.363 -0.948) 1.015 8.899 ( -0.000 -4.634 4.707) 6.605 8.993 ( -0.000 -5.586 -5.200) 7.632 9.996 ( -0.000 -1.842 2.523) 3.124 10.051 ( -0.000 -3.703 -3.279) 4.947 11.200 ( -0.000 -0.045 2.449) 2.450 11.245 ( 0.000 0.022 -2.269) 2.269 12.018 ( 0.000 0.541 7.774) 7.792 12.111 ( -0.000 -2.061 -2.733) 3.423 14.005 ( 0.000 0.248 10.081) 10.084 14.240 ( 0.000 1.072 -12.730) 12.775 15.649 ( 0.000 4.159 7.247) 8.355 15.780 ( -0.000 -3.046 -5.928) 6.665 ======================= Grid point 786 (244/245) ======================= q-point: (-0.54 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 3.218 -0.000 9.176) 9.723 1.770 ( 3.114 -0.000 -9.315) 9.821 2.321 ( -1.773 0.000 8.963) 9.136 2.407 ( -3.434 0.000 1.085) 3.601 2.543 ( -9.073 0.000 4.558) 10.154 2.643 ( -9.625 0.000 -5.295) 10.986 3.372 ( 3.801 -0.000 13.849) 14.361 3.575 ( 8.751 -0.000 -5.800) 10.499 4.218 ( -11.820 0.000 3.089) 12.217 4.361 ( -2.260 0.000 -11.073) 11.301 4.702 ( -5.028 0.000 6.723) 8.395 4.796 ( -6.351 0.000 -2.984) 7.017 5.288 ( 8.408 -0.000 0.647) 8.433 5.313 ( 11.164 -0.000 -1.900) 11.325 6.430 ( 3.039 -0.000 5.728) 6.485 6.477 ( -5.072 0.000 0.475) 5.094 6.720 ( -10.862 0.000 7.316) 13.096 6.834 ( -4.307 0.000 -1.503) 4.562 7.089 ( -7.443 0.000 -2.731) 7.928 7.118 ( -10.292 0.000 -6.413) 12.126 7.690 ( 0.620 -0.000 1.832) 1.934 7.750 ( 0.675 -0.000 -5.726) 5.766 8.281 ( -5.350 0.000 3.674) 6.490 8.354 ( -8.663 0.000 -3.768) 9.447 8.873 ( -1.460 0.000 3.932) 4.194 8.954 ( -1.256 0.000 -4.729) 4.892 9.969 ( 1.621 -0.000 1.756) 2.390 10.011 ( 0.634 -0.000 -2.879) 2.948 11.065 ( 12.528 -0.000 1.646) 12.635 11.097 ( 13.476 -0.000 -1.690) 13.582 12.138 ( -9.617 0.000 5.970) 11.319 12.192 ( -8.859 0.000 -0.660) 8.883 13.996 ( 1.297 -0.000 10.163) 10.245 14.233 ( 1.679 -0.000 -12.692) 12.802 15.644 ( 5.790 -0.000 2.129) 6.169 15.687 ( 5.119 -0.000 -0.959) 5.208 ======================= Grid point 788 (245/245) ======================= q-point: (-0.46 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 6.24e-05 6.24e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 0.000 0.825 9.282) 9.318 1.800 ( 0.000 0.560 -8.874) 8.891 2.302 ( 0.000 0.959 8.400) 8.454 2.388 ( -0.000 -0.517 0.132) 0.533 2.432 ( 0.000 1.269 6.405) 6.530 2.550 ( -0.000 -2.323 -5.724) 6.177 3.411 ( 0.000 1.414 16.743) 16.802 3.680 ( 0.000 1.258 -9.125) 9.211 4.072 ( -0.000 -0.640 9.519) 9.540 4.326 ( -0.000 -0.571 -16.227) 16.237 4.654 ( 0.000 1.287 5.442) 5.592 4.734 ( 0.000 0.174 -1.805) 1.814 5.398 ( 0.000 0.485 2.099) 2.154 5.450 ( -0.000 -1.451 -3.143) 3.462 6.384 ( 0.000 1.700 3.540) 3.927 6.430 ( 0.000 1.021 -1.455) 1.777 6.624 ( 0.000 0.327 12.637) 12.641 6.841 ( 0.000 0.659 -7.915) 7.942 6.976 ( 0.000 0.422 0.467) 0.629 7.012 ( -0.000 -2.489 -3.143) 4.009 7.702 ( 0.000 1.882 0.199) 1.892 7.762 ( 0.000 1.436 -7.587) 7.722 8.231 ( 0.000 0.043 2.836) 2.836 8.267 ( 0.000 0.127 -1.042) 1.050 8.865 ( -0.000 -1.658 4.162) 4.480 8.950 ( -0.000 -2.179 -4.912) 5.374 9.985 ( -0.000 -0.423 1.451) 1.511 10.021 ( -0.000 -1.598 -2.573) 3.029 11.199 ( -0.000 -0.016 2.476) 2.476 11.245 ( 0.000 0.008 -2.293) 2.293 12.024 ( 0.000 0.415 6.739) 6.752 12.094 ( -0.000 -0.973 -1.558) 1.837 14.008 ( 0.000 0.142 10.456) 10.457 14.247 ( 0.000 0.351 -12.668) 12.673 15.691 ( 0.000 3.335 2.936) 4.443 15.746 ( -0.000 -2.925 -1.953) 3.517 =================== 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 3/54756 10.0 24.482 341.354 179.427 0.000 0.000 0.000 3/54756 20.0 14.534 51.622 46.226 0.000 0.000 0.000 3/54756 30.0 9.160 18.776 18.930 0.000 0.000 0.000 3/54756 40.0 6.724 10.251 10.774 0.000 0.000 0.000 3/54756 50.0 5.355 6.816 7.273 0.000 0.000 0.000 3/54756 60.0 4.475 5.054 5.431 0.000 0.000 0.000 3/54756 70.0 3.860 4.009 4.331 0.000 0.000 0.000 3/54756 80.0 3.406 3.326 3.612 0.000 0.000 0.000 3/54756 90.0 3.056 2.847 3.111 0.000 0.000 0.000 3/54756 100.0 2.776 2.494 2.743 0.000 0.000 0.000 3/54756 110.0 2.547 2.223 2.461 0.000 0.000 0.000 3/54756 120.0 2.356 2.008 2.238 0.000 0.000 0.000 3/54756 130.0 2.192 1.834 2.057 0.000 0.000 0.000 3/54756 140.0 2.051 1.689 1.907 0.000 0.000 0.000 3/54756 150.0 1.928 1.567 1.779 0.000 0.000 0.000 3/54756 160.0 1.819 1.462 1.669 0.000 0.000 0.000 3/54756 170.0 1.722 1.372 1.574 0.000 0.000 0.000 3/54756 180.0 1.635 1.292 1.489 0.000 0.000 0.000 3/54756 190.0 1.557 1.222 1.414 0.000 0.000 0.000 3/54756 200.0 1.486 1.159 1.346 0.000 0.000 0.000 3/54756 210.0 1.421 1.102 1.285 0.000 0.000 0.000 3/54756 220.0 1.361 1.051 1.230 0.000 0.000 0.000 3/54756 230.0 1.306 1.005 1.179 0.000 0.000 0.000 3/54756 240.0 1.256 0.963 1.133 0.000 0.000 0.000 3/54756 250.0 1.209 0.924 1.090 0.000 0.000 0.000 3/54756 260.0 1.166 0.888 1.050 0.000 0.000 0.000 3/54756 270.0 1.125 0.855 1.013 0.000 0.000 0.000 3/54756 280.0 1.088 0.825 0.979 0.000 0.000 0.000 3/54756 290.0 1.052 0.796 0.947 0.000 0.000 0.000 3/54756 300.0 1.019 0.770 0.917 0.000 0.000 0.000 3/54756 310.0 0.988 0.745 0.889 0.000 0.000 0.000 3/54756 320.0 0.959 0.722 0.862 0.000 0.000 0.000 3/54756 330.0 0.931 0.700 0.837 0.000 0.000 0.000 3/54756 340.0 0.905 0.679 0.814 0.000 0.000 0.000 3/54756 350.0 0.880 0.660 0.791 0.000 0.000 0.000 3/54756 360.0 0.857 0.642 0.770 0.000 0.000 0.000 3/54756 370.0 0.835 0.625 0.750 0.000 0.000 0.000 3/54756 380.0 0.814 0.608 0.731 0.000 0.000 0.000 3/54756 390.0 0.794 0.593 0.713 0.000 0.000 0.000 3/54756 400.0 0.774 0.578 0.696 0.000 0.000 0.000 3/54756 410.0 0.756 0.564 0.680 0.000 0.000 0.000 3/54756 420.0 0.739 0.551 0.664 0.000 0.000 0.000 3/54756 430.0 0.722 0.538 0.649 0.000 0.000 0.000 3/54756 440.0 0.706 0.526 0.635 0.000 0.000 0.000 3/54756 450.0 0.691 0.514 0.621 0.000 0.000 0.000 3/54756 460.0 0.677 0.503 0.608 0.000 0.000 0.000 3/54756 470.0 0.663 0.492 0.596 0.000 0.000 0.000 3/54756 480.0 0.649 0.482 0.583 0.000 0.000 0.000 3/54756 490.0 0.636 0.472 0.572 0.000 0.000 0.000 3/54756 500.0 0.624 0.463 0.561 0.000 0.000 0.000 3/54756 510.0 0.612 0.454 0.550 0.000 0.000 0.000 3/54756 520.0 0.600 0.445 0.540 0.000 0.000 0.000 3/54756 530.0 0.589 0.437 0.530 0.000 0.000 0.000 3/54756 540.0 0.579 0.429 0.520 0.000 0.000 0.000 3/54756 550.0 0.568 0.421 0.511 0.000 0.000 0.000 3/54756 560.0 0.559 0.413 0.502 0.000 0.000 0.000 3/54756 570.0 0.549 0.406 0.493 0.000 0.000 0.000 3/54756 580.0 0.540 0.399 0.485 0.000 0.000 0.000 3/54756 590.0 0.531 0.393 0.477 0.000 0.000 0.000 3/54756 600.0 0.522 0.386 0.469 0.000 0.000 0.000 3/54756 610.0 0.514 0.380 0.462 0.000 0.000 0.000 3/54756 620.0 0.505 0.374 0.454 0.000 0.000 0.000 3/54756 630.0 0.498 0.368 0.447 0.000 0.000 0.000 3/54756 640.0 0.490 0.362 0.440 0.000 0.000 0.000 3/54756 650.0 0.483 0.356 0.434 0.000 0.000 0.000 3/54756 660.0 0.475 0.351 0.427 0.000 0.000 0.000 3/54756 670.0 0.468 0.346 0.421 0.000 0.000 0.000 3/54756 680.0 0.462 0.341 0.415 0.000 0.000 0.000 3/54756 690.0 0.455 0.336 0.409 0.000 0.000 0.000 3/54756 700.0 0.449 0.331 0.403 0.000 0.000 0.000 3/54756 710.0 0.442 0.326 0.398 0.000 0.000 0.000 3/54756 720.0 0.436 0.322 0.392 0.000 0.000 0.000 3/54756 730.0 0.430 0.318 0.387 0.000 0.000 0.000 3/54756 740.0 0.425 0.313 0.382 0.000 0.000 0.000 3/54756 750.0 0.419 0.309 0.377 0.000 0.000 0.000 3/54756 760.0 0.414 0.305 0.372 0.000 0.000 0.000 3/54756 770.0 0.408 0.301 0.367 0.000 0.000 0.000 3/54756 780.0 0.403 0.297 0.363 0.000 0.000 0.000 3/54756 790.0 0.398 0.293 0.358 0.000 0.000 0.000 3/54756 800.0 0.393 0.290 0.354 0.000 0.000 0.000 3/54756 810.0 0.388 0.286 0.349 0.000 0.000 0.000 3/54756 820.0 0.384 0.283 0.345 0.000 0.000 0.000 3/54756 830.0 0.379 0.279 0.341 0.000 0.000 0.000 3/54756 840.0 0.375 0.276 0.337 0.000 0.000 0.000 3/54756 850.0 0.370 0.273 0.333 0.000 0.000 0.000 3/54756 860.0 0.366 0.270 0.329 0.000 0.000 0.000 3/54756 870.0 0.362 0.267 0.325 0.000 0.000 0.000 3/54756 880.0 0.358 0.264 0.322 0.000 0.000 0.000 3/54756 890.0 0.354 0.261 0.318 0.000 0.000 0.000 3/54756 900.0 0.350 0.258 0.315 0.000 0.000 0.000 3/54756 910.0 0.346 0.255 0.311 0.000 0.000 0.000 3/54756 920.0 0.342 0.252 0.308 0.000 0.000 0.000 3/54756 930.0 0.339 0.249 0.305 0.000 0.000 0.000 3/54756 940.0 0.335 0.247 0.301 0.000 0.000 0.000 3/54756 950.0 0.332 0.244 0.298 0.000 0.000 0.000 3/54756 960.0 0.328 0.242 0.295 0.000 0.000 0.000 3/54756 970.0 0.325 0.239 0.292 0.000 0.000 0.000 3/54756 980.0 0.322 0.237 0.289 0.000 0.000 0.000 3/54756 990.0 0.318 0.234 0.286 0.000 0.000 0.000 3/54756 1000.0 0.315 0.232 0.283 0.000 0.000 0.000 3/54756 Thermal conductivity related properties were written into "kappa-m13139.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:46:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|