# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/3b9a12a3-6912-4f90-bcaf-e7bd0cad597e/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for LaCuS2 / P2_1/c (14) / materials id 4841](https://mdr.nims.go.jp/datasets/db12de6c-0da6-45d8-b395-2a3861891f1f) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 20:29:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 6.477309204869798 0.000000000000000 0.000000000000000 b 0.000000000000000 7.219352370000002 0.000000000000000 c -0.929416462396135 0.000000000000000 6.751139794969011Atomic positions (fractional): *1 S 0.90597076513196 0.27451406332511 0.49964815619525 32.065 2 S 0.09402923486804 0.77451406332511 0.00035184380475 32.065 3 S 0.09402923486804 0.72548593667489 0.50035184380475 32.065 4 S 0.90597076513196 0.22548593667489 0.99964815619525 32.065 *5 S 0.59065703068572 0.88707705902914 0.27589261918576 32.065 6 S 0.59065703068572 0.61292294097086 0.77589261918576 32.065 7 S 0.40934296931428 0.11292294097086 0.72410738081424 32.065 8 S 0.40934296931428 0.38707705902914 0.22410738081424 32.065 *9 Cu 0.56968140063522 0.33609815721156 0.54967286901375 63.546 10 Cu 0.43031859936478 0.66390184278844 0.45032713098625 63.546 11 Cu 0.43031859936478 0.83609815721156 0.95032713098625 63.546 12 Cu 0.56968140063522 0.16390184278844 0.04967286901375 63.546 *13 La 0.18902066246662 0.05317643425575 0.30080377625008 138.905 14 La 0.81097933753338 0.55317643425575 0.19919622374992 138.905 15 La 0.81097933753338 0.94682356574425 0.69919622374992 138.905 16 La 0.18902066246662 0.44682356574425 0.80080377625008 138.905-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.477309204869798 0.000000000000000 0.000000000000000 b 0.000000000000000 7.219352370000002 0.000000000000000 c -0.929416462396135 0.000000000000000 6.751139794969011Atomic positions (fractional): *1 S 0.90597076513196 0.27451406332511 0.49964815619525 32.065 > 1 2 S 0.09402923486804 0.77451406332511 0.00035184380475 32.065 > 2 3 S 0.09402923486804 0.72548593667489 0.50035184380475 32.065 > 3 4 S 0.90597076513196 0.22548593667489 0.99964815619525 32.065 > 4 *5 S 0.59065703068572 0.88707705902914 0.27589261918576 32.065 > 5 6 S 0.59065703068572 0.61292294097086 0.77589261918576 32.065 > 6 7 S 0.40934296931428 0.11292294097086 0.72410738081424 32.065 > 7 8 S 0.40934296931428 0.38707705902914 0.22410738081424 32.065 > 8 *9 Cu 0.56968140063522 0.33609815721156 0.54967286901375 63.546 > 9 10 Cu 0.43031859936478 0.66390184278844 0.45032713098625 63.546 > 10 11 Cu 0.43031859936478 0.83609815721156 0.95032713098625 63.546 > 11 12 Cu 0.56968140063522 0.16390184278844 0.04967286901375 63.546 > 12 *13 La 0.18902066246662 0.05317643425575 0.30080377625008 138.905 > 13 14 La 0.81097933753338 0.55317643425575 0.19919622374992 138.905 > 14 15 La 0.81097933753338 0.94682356574425 0.69919622374992 138.905 > 15 16 La 0.18902066246662 0.44682356574425 0.80080377625008 138.905 > 16-------------------------------- super cell --------------------------------Lattice vectors: a 12.954618409739597 0.000000000000000 0.000000000000000 b 0.000000000000000 14.438704740000004 0.000000000000000 c -1.858832924792270 0.000000000000000 13.502279589938022Atomic positions (fractional): *1 S 0.45298538256598 0.13725703166256 0.24982407809762 32.065 > 1 2 S 0.95298538256598 0.13725703166256 0.24982407809762 32.065 > 1 3 S 0.45298538256598 0.63725703166256 0.24982407809762 32.065 > 1 4 S 0.95298538256598 0.63725703166256 0.24982407809762 32.065 > 1 5 S 0.45298538256598 0.13725703166256 0.74982407809762 32.065 > 1 6 S 0.95298538256598 0.13725703166256 0.74982407809762 32.065 > 1 7 S 0.45298538256598 0.63725703166256 0.74982407809762 32.065 > 1 8 S 0.95298538256598 0.63725703166256 0.74982407809762 32.065 > 1 9 S 0.04701461743402 0.38725703166256 0.00017592190238 32.065 > 2 10 S 0.54701461743402 0.38725703166256 0.00017592190238 32.065 > 2 11 S 0.04701461743402 0.88725703166256 0.00017592190238 32.065 > 2 12 S 0.54701461743402 0.88725703166256 0.00017592190238 32.065 > 2 13 S 0.04701461743402 0.38725703166256 0.50017592190238 32.065 > 2 14 S 0.54701461743402 0.38725703166256 0.50017592190238 32.065 > 2 15 S 0.04701461743402 0.88725703166256 0.50017592190238 32.065 > 2 16 S 0.54701461743402 0.88725703166256 0.50017592190238 32.065 > 2 17 S 0.04701461743402 0.36274296833744 0.25017592190238 32.065 > 3 18 S 0.54701461743402 0.36274296833744 0.25017592190238 32.065 > 3 19 S 0.04701461743402 0.86274296833744 0.25017592190238 32.065 > 3 20 S 0.54701461743402 0.86274296833744 0.25017592190238 32.065 > 3 21 S 0.04701461743402 0.36274296833744 0.75017592190238 32.065 > 3 22 S 0.54701461743402 0.36274296833744 0.75017592190238 32.065 > 3 23 S 0.04701461743402 0.86274296833744 0.75017592190238 32.065 > 3 24 S 0.54701461743402 0.86274296833744 0.75017592190238 32.065 > 3 25 S 0.45298538256598 0.11274296833744 0.49982407809762 32.065 > 4 26 S 0.95298538256598 0.11274296833744 0.49982407809762 32.065 > 4 27 S 0.45298538256598 0.61274296833744 0.49982407809762 32.065 > 4 28 S 0.95298538256598 0.61274296833744 0.49982407809762 32.065 > 4 29 S 0.45298538256598 0.11274296833744 0.99982407809762 32.065 > 4 30 S 0.95298538256598 0.11274296833744 0.99982407809762 32.065 > 4 31 S 0.45298538256598 0.61274296833744 0.99982407809762 32.065 > 4 32 S 0.95298538256598 0.61274296833744 0.99982407809762 32.065 > 4 *33 S 0.29532851534286 0.44353852951457 0.13794630959288 32.065 > 5 34 S 0.79532851534286 0.44353852951457 0.13794630959288 32.065 > 5 35 S 0.29532851534286 0.94353852951457 0.13794630959288 32.065 > 5 36 S 0.79532851534286 0.94353852951457 0.13794630959288 32.065 > 5 37 S 0.29532851534286 0.44353852951457 0.63794630959288 32.065 > 5 38 S 0.79532851534286 0.44353852951457 0.63794630959288 32.065 > 5 39 S 0.29532851534286 0.94353852951457 0.63794630959288 32.065 > 5 40 S 0.79532851534286 0.94353852951457 0.63794630959288 32.065 > 5 41 S 0.29532851534286 0.30646147048543 0.38794630959288 32.065 > 6 42 S 0.79532851534286 0.30646147048543 0.38794630959288 32.065 > 6 43 S 0.29532851534286 0.80646147048543 0.38794630959288 32.065 > 6 44 S 0.79532851534286 0.80646147048543 0.38794630959288 32.065 > 6 45 S 0.29532851534286 0.30646147048543 0.88794630959288 32.065 > 6 46 S 0.79532851534286 0.30646147048543 0.88794630959288 32.065 > 6 47 S 0.29532851534286 0.80646147048543 0.88794630959288 32.065 > 6 48 S 0.79532851534286 0.80646147048543 0.88794630959288 32.065 > 6 49 S 0.20467148465714 0.05646147048543 0.36205369040712 32.065 > 7 50 S 0.70467148465714 0.05646147048543 0.36205369040712 32.065 > 7 51 S 0.20467148465714 0.55646147048543 0.36205369040712 32.065 > 7 52 S 0.70467148465714 0.55646147048543 0.36205369040712 32.065 > 7 53 S 0.20467148465714 0.05646147048543 0.86205369040712 32.065 > 7 54 S 0.70467148465714 0.05646147048543 0.86205369040712 32.065 > 7 55 S 0.20467148465714 0.55646147048543 0.86205369040712 32.065 > 7 56 S 0.70467148465714 0.55646147048543 0.86205369040712 32.065 > 7 57 S 0.20467148465714 0.19353852951457 0.11205369040712 32.065 > 8 58 S 0.70467148465714 0.19353852951457 0.11205369040712 32.065 > 8 59 S 0.20467148465714 0.69353852951457 0.11205369040712 32.065 > 8 60 S 0.70467148465714 0.69353852951457 0.11205369040712 32.065 > 8 61 S 0.20467148465714 0.19353852951457 0.61205369040712 32.065 > 8 62 S 0.70467148465714 0.19353852951457 0.61205369040712 32.065 > 8 63 S 0.20467148465714 0.69353852951457 0.61205369040712 32.065 > 8 64 S 0.70467148465714 0.69353852951457 0.61205369040712 32.065 > 8 *65 Cu 0.28484070031761 0.16804907860578 0.27483643450688 63.546 > 9 66 Cu 0.78484070031761 0.16804907860578 0.27483643450688 63.546 > 9 67 Cu 0.28484070031761 0.66804907860578 0.27483643450688 63.546 > 9 68 Cu 0.78484070031761 0.66804907860578 0.27483643450688 63.546 > 9 69 Cu 0.28484070031761 0.16804907860578 0.77483643450688 63.546 > 9 70 Cu 0.78484070031761 0.16804907860578 0.77483643450688 63.546 > 9 71 Cu 0.28484070031761 0.66804907860578 0.77483643450688 63.546 > 9 72 Cu 0.78484070031761 0.66804907860578 0.77483643450688 63.546 > 9 73 Cu 0.21515929968239 0.33195092139422 0.22516356549312 63.546 > 10 74 Cu 0.71515929968239 0.33195092139422 0.22516356549312 63.546 > 10 75 Cu 0.21515929968239 0.83195092139422 0.22516356549312 63.546 > 10 76 Cu 0.71515929968239 0.83195092139422 0.22516356549312 63.546 > 10 77 Cu 0.21515929968239 0.33195092139422 0.72516356549312 63.546 > 10 78 Cu 0.71515929968239 0.33195092139422 0.72516356549312 63.546 > 10 79 Cu 0.21515929968239 0.83195092139422 0.72516356549312 63.546 > 10 80 Cu 0.71515929968239 0.83195092139422 0.72516356549312 63.546 > 10 81 Cu 0.21515929968239 0.41804907860578 0.47516356549312 63.546 > 11 82 Cu 0.71515929968239 0.41804907860578 0.47516356549312 63.546 > 11 83 Cu 0.21515929968239 0.91804907860578 0.47516356549312 63.546 > 11 84 Cu 0.71515929968239 0.91804907860578 0.47516356549312 63.546 > 11 85 Cu 0.21515929968239 0.41804907860578 0.97516356549312 63.546 > 11 86 Cu 0.71515929968239 0.41804907860578 0.97516356549312 63.546 > 11 87 Cu 0.21515929968239 0.91804907860578 0.97516356549312 63.546 > 11 88 Cu 0.71515929968239 0.91804907860578 0.97516356549312 63.546 > 11 89 Cu 0.28484070031761 0.08195092139422 0.02483643450688 63.546 > 12 90 Cu 0.78484070031761 0.08195092139422 0.02483643450688 63.546 > 12 91 Cu 0.28484070031761 0.58195092139422 0.02483643450688 63.546 > 12 92 Cu 0.78484070031761 0.58195092139422 0.02483643450688 63.546 > 12 93 Cu 0.28484070031761 0.08195092139422 0.52483643450688 63.546 > 12 94 Cu 0.78484070031761 0.08195092139422 0.52483643450688 63.546 > 12 95 Cu 0.28484070031761 0.58195092139422 0.52483643450688 63.546 > 12 96 Cu 0.78484070031761 0.58195092139422 0.52483643450688 63.546 > 12 *97 La 0.09451033123331 0.02658821712787 0.15040188812504 138.905 > 13 98 La 0.59451033123331 0.02658821712787 0.15040188812504 138.905 > 13 99 La 0.09451033123331 0.52658821712787 0.15040188812504 138.905 > 13 100 La 0.59451033123331 0.52658821712787 0.15040188812504 138.905 > 13 101 La 0.09451033123331 0.02658821712787 0.65040188812504 138.905 > 13 102 La 0.59451033123331 0.02658821712787 0.65040188812504 138.905 > 13 103 La 0.09451033123331 0.52658821712787 0.65040188812504 138.905 > 13 104 La 0.59451033123331 0.52658821712787 0.65040188812504 138.905 > 13 105 La 0.40548966876669 0.27658821712788 0.09959811187496 138.905 > 14 106 La 0.90548966876669 0.27658821712788 0.09959811187496 138.905 > 14 107 La 0.40548966876669 0.77658821712788 0.09959811187496 138.905 > 14 108 La 0.90548966876669 0.77658821712788 0.09959811187496 138.905 > 14 109 La 0.40548966876669 0.27658821712788 0.59959811187496 138.905 > 14 110 La 0.90548966876669 0.27658821712788 0.59959811187496 138.905 > 14 111 La 0.40548966876669 0.77658821712788 0.59959811187496 138.905 > 14 112 La 0.90548966876669 0.77658821712788 0.59959811187496 138.905 > 14 113 La 0.40548966876669 0.47341178287212 0.34959811187496 138.905 > 15 114 La 0.90548966876669 0.47341178287212 0.34959811187496 138.905 > 15 115 La 0.40548966876669 0.97341178287212 0.34959811187496 138.905 > 15 116 La 0.90548966876669 0.97341178287212 0.34959811187496 138.905 > 15 117 La 0.40548966876669 0.47341178287212 0.84959811187496 138.905 > 15 118 La 0.90548966876669 0.47341178287212 0.84959811187496 138.905 > 15 119 La 0.40548966876669 0.97341178287212 0.84959811187496 138.905 > 15 120 La 0.90548966876669 0.97341178287212 0.84959811187496 138.905 > 15 121 La 0.09451033123331 0.22341178287212 0.40040188812504 138.905 > 16 122 La 0.59451033123331 0.22341178287212 0.40040188812504 138.905 > 16 123 La 0.09451033123331 0.72341178287212 0.40040188812504 138.905 > 16 124 La 0.59451033123331 0.72341178287212 0.40040188812504 138.905 > 16 125 La 0.09451033123331 0.22341178287212 0.90040188812504 138.905 > 16 126 La 0.59451033123331 0.22341178287212 0.90040188812504 138.905 > 16 127 La 0.09451033123331 0.72341178287212 0.90040188812504 138.905 > 16 128 La 0.59451033123331 0.72341178287212 0.90040188812504 138.905 > 16----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.1905536 0.0000000 -0.0707608 0.0000000 9.9993889 0.0000000 -0.0708778 0.0000000 10.4906172-------------------------- Born effective charges -------------------------- 1 S -2.4062764 0.0364868 0.0863335 0.0012577 -2.9306024 0.2216311 -0.0015880 0.3613044 -2.5156387 2 S -2.4062764 -0.0364868 0.0863335 -0.0012577 -2.9306024 -0.2216311 -0.0015880 -0.3613044 -2.5156387 3 S -2.4062764 0.0364868 0.0863335 0.0012577 -2.9306024 0.2216311 -0.0015880 0.3613044 -2.5156387 4 S -2.4062764 -0.0364868 0.0863335 -0.0012577 -2.9306024 -0.2216311 -0.0015880 -0.3613044 -2.5156387 5 S -2.2669560 0.5217513 -0.1923766 0.6463620 -2.5188996 -0.0588300 -0.1267440 -0.1046442 -2.5713204 6 S -2.2669560 -0.5217513 -0.1923766 -0.6463620 -2.5188996 0.0588300 -0.1267440 0.1046442 -2.5713204 7 S -2.2669560 0.5217513 -0.1923766 0.6463620 -2.5188996 -0.0588300 -0.1267440 -0.1046442 -2.5713204 8 S -2.2669560 -0.5217513 -0.1923766 -0.6463620 -2.5188996 0.0588300 -0.1267440 0.1046442 -2.5713204 9 Cu 0.3785857 0.0076967 0.0279079 0.0392093 0.6901424 0.2531994 0.0072363 0.1918196 0.9641520 10 Cu 0.3785857 0.0076967 0.0279079 0.0392093 0.6901424 0.2531994 0.0072363 0.1918196 0.9641520 11 Cu 0.3785857 -0.0076967 0.0279079 -0.0392093 0.6901424 -0.2531994 0.0072363 -0.1918196 0.9641520 12 Cu 0.3785857 -0.0076967 0.0279079 -0.0392093 0.6901424 -0.2531994 0.0072363 -0.1918196 0.9641520 13 La 4.2946466 -0.1639241 0.0781352 -0.1991786 4.7593596 0.0290154 0.1210956 0.3468199 4.1228070 14 La 4.2946466 0.1639241 0.0781352 0.1991786 4.7593596 -0.0290154 0.1210956 -0.3468199 4.1228070 15 La 4.2946466 -0.1639241 0.0781352 -0.1991786 4.7593596 0.0290154 0.1210956 0.3468199 4.1228070 16 La 4.2946466 0.1639241 0.0781352 0.1991786 4.7593596 -0.0290154 0.1210956 -0.3468199 4.1228070----------------------------------------------------------------------------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: 384/384Permutation basis: 9696/9696Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2400Number of blocks in projector: 2400Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 512Use submatrix version of eigh solver.(1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found.(1) 504 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 512Use submatrix version of eigh solver.(1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found.(1) 504 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 512Use submatrix version of eigh solver.(1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found.(1) 505 eigenvectors found.(1) Complementary block size: 6(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 288Use standard eigh solver.Tree of FC basis block matrices:- (2400, 2365), data: False|-- (288, 284), data: True|-- (288, 284), data: True|-- (288, 284), data: True|-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True|-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True|-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.008Solver_block: 100 / 480 - Time: 1.642Solver_block: 200 / 480 - Time: 1.278Solver_block: 300 / 480 - Time: 1.725Solver_block: 400 / 480 - Time: 1.128Solver_block: 480 / 480 - Time: 0.841Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.035--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384Permutation basis: 9696/9696Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2400Number of blocks in projector: 2400Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 512Use submatrix version of eigh solver.(1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found.(1) 504 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 512Use submatrix version of eigh solver.(1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found.(1) 504 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 512Use submatrix version of eigh solver.(1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found.(1) 505 eigenvectors found.(1) Complementary block size: 6(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 288Use standard eigh solver.Tree of FC basis block matrices:- (2400, 2365), data: False|-- (288, 284), data: True|-- (288, 284), data: True|-- (288, 284), data: True|-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True|-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True|-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 20:29:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 20:29:50]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 2]Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.477309204869798 0.000000000000000 0.000000000000000 b 0.000000000000000 7.219352370000002 0.000000000000000 c -0.929416462396135 0.000000000000000 6.751139794969011Atomic positions (fractional): 1 S 0.90597076513196 0.27451406332511 0.49964815619525 32.065 2 S 0.09402923486804 0.77451406332511 0.00035184380475 32.065 3 S 0.09402923486804 0.72548593667489 0.50035184380475 32.065 4 S 0.90597076513196 0.22548593667489 0.99964815619525 32.065 5 S 0.59065703068572 0.88707705902914 0.27589261918576 32.065 6 S 0.59065703068572 0.61292294097086 0.77589261918576 32.065 7 S 0.40934296931428 0.11292294097086 0.72410738081424 32.065 8 S 0.40934296931428 0.38707705902914 0.22410738081424 32.065 9 Cu 0.56968140063522 0.33609815721156 0.54967286901375 63.546 10 Cu 0.43031859936478 0.66390184278844 0.45032713098625 63.546 11 Cu 0.43031859936478 0.83609815721156 0.95032713098625 63.546 12 Cu 0.56968140063522 0.16390184278844 0.04967286901375 63.546 13 La 0.18902066246662 0.05317643425575 0.30080377625008 138.905 14 La 0.81097933753338 0.55317643425575 0.19919622374992 138.905 15 La 0.81097933753338 0.94682356574425 0.69919622374992 138.905 16 La 0.18902066246662 0.44682356574425 0.80080377625008 138.905-------------------------------- supercell ---------------------------------Lattice vectors: a 12.954618409739597 0.000000000000000 0.000000000000000 b 0.000000000000000 14.438704740000004 0.000000000000000 c -1.858832924792270 0.000000000000000 13.502279589938022Atomic positions (fractional): 1 S 0.45298538256598 0.13725703166256 0.24982407809762 32.065 > 1 2 S 0.95298538256598 0.13725703166256 0.24982407809762 32.065 > 1 3 S 0.45298538256598 0.63725703166256 0.24982407809762 32.065 > 1 4 S 0.95298538256598 0.63725703166256 0.24982407809762 32.065 > 1 5 S 0.45298538256598 0.13725703166256 0.74982407809762 32.065 > 1 6 S 0.95298538256598 0.13725703166256 0.74982407809762 32.065 > 1 7 S 0.45298538256598 0.63725703166256 0.74982407809762 32.065 > 1 8 S 0.95298538256598 0.63725703166256 0.74982407809762 32.065 > 1 9 S 0.04701461743402 0.38725703166256 0.00017592190238 32.065 > 9 10 S 0.54701461743402 0.38725703166256 0.00017592190238 32.065 > 9 11 S 0.04701461743402 0.88725703166256 0.00017592190238 32.065 > 9 12 S 0.54701461743402 0.88725703166256 0.00017592190238 32.065 > 9 13 S 0.04701461743402 0.38725703166256 0.50017592190238 32.065 > 9 14 S 0.54701461743402 0.38725703166256 0.50017592190238 32.065 > 9 15 S 0.04701461743402 0.88725703166256 0.50017592190238 32.065 > 9 16 S 0.54701461743402 0.88725703166256 0.50017592190238 32.065 > 9 17 S 0.04701461743402 0.36274296833744 0.25017592190238 32.065 > 17 18 S 0.54701461743402 0.36274296833744 0.25017592190238 32.065 > 17 19 S 0.04701461743402 0.86274296833744 0.25017592190238 32.065 > 17 20 S 0.54701461743402 0.86274296833744 0.25017592190238 32.065 > 17 21 S 0.04701461743402 0.36274296833744 0.75017592190238 32.065 > 17 22 S 0.54701461743402 0.36274296833744 0.75017592190238 32.065 > 17 23 S 0.04701461743402 0.86274296833744 0.75017592190238 32.065 > 17 24 S 0.54701461743402 0.86274296833744 0.75017592190238 32.065 > 17 25 S 0.45298538256598 0.11274296833744 0.49982407809762 32.065 > 25 26 S 0.95298538256598 0.11274296833744 0.49982407809762 32.065 > 25 27 S 0.45298538256598 0.61274296833744 0.49982407809762 32.065 > 25 28 S 0.95298538256598 0.61274296833744 0.49982407809762 32.065 > 25 29 S 0.45298538256598 0.11274296833744 0.99982407809762 32.065 > 25 30 S 0.95298538256598 0.11274296833744 0.99982407809762 32.065 > 25 31 S 0.45298538256598 0.61274296833744 0.99982407809762 32.065 > 25 32 S 0.95298538256598 0.61274296833744 0.99982407809762 32.065 > 25 33 S 0.29532851534286 0.44353852951457 0.13794630959288 32.065 > 33 34 S 0.79532851534286 0.44353852951457 0.13794630959288 32.065 > 33 35 S 0.29532851534286 0.94353852951457 0.13794630959288 32.065 > 33 36 S 0.79532851534286 0.94353852951457 0.13794630959288 32.065 > 33 37 S 0.29532851534286 0.44353852951457 0.63794630959288 32.065 > 33 38 S 0.79532851534286 0.44353852951457 0.63794630959288 32.065 > 33 39 S 0.29532851534286 0.94353852951457 0.63794630959288 32.065 > 33 40 S 0.79532851534286 0.94353852951457 0.63794630959288 32.065 > 33 41 S 0.29532851534286 0.30646147048543 0.38794630959288 32.065 > 41 42 S 0.79532851534286 0.30646147048543 0.38794630959288 32.065 > 41 43 S 0.29532851534286 0.80646147048543 0.38794630959288 32.065 > 41 44 S 0.79532851534286 0.80646147048543 0.38794630959288 32.065 > 41 45 S 0.29532851534286 0.30646147048543 0.88794630959288 32.065 > 41 46 S 0.79532851534286 0.30646147048543 0.88794630959288 32.065 > 41 47 S 0.29532851534286 0.80646147048543 0.88794630959288 32.065 > 41 48 S 0.79532851534286 0.80646147048543 0.88794630959288 32.065 > 41 49 S 0.20467148465714 0.05646147048543 0.36205369040712 32.065 > 49 50 S 0.70467148465714 0.05646147048543 0.36205369040712 32.065 > 49 51 S 0.20467148465714 0.55646147048543 0.36205369040712 32.065 > 49 52 S 0.70467148465714 0.55646147048543 0.36205369040712 32.065 > 49 53 S 0.20467148465714 0.05646147048543 0.86205369040712 32.065 > 49 54 S 0.70467148465714 0.05646147048543 0.86205369040712 32.065 > 49 55 S 0.20467148465714 0.55646147048543 0.86205369040712 32.065 > 49 56 S 0.70467148465714 0.55646147048543 0.86205369040712 32.065 > 49 57 S 0.20467148465714 0.19353852951457 0.11205369040712 32.065 > 57 58 S 0.70467148465714 0.19353852951457 0.11205369040712 32.065 > 57 59 S 0.20467148465714 0.69353852951457 0.11205369040712 32.065 > 57 60 S 0.70467148465714 0.69353852951457 0.11205369040712 32.065 > 57 61 S 0.20467148465714 0.19353852951457 0.61205369040712 32.065 > 57 62 S 0.70467148465714 0.19353852951457 0.61205369040712 32.065 > 57 63 S 0.20467148465714 0.69353852951457 0.61205369040712 32.065 > 57 64 S 0.70467148465714 0.69353852951457 0.61205369040712 32.065 > 57 65 Cu 0.28484070031761 0.16804907860578 0.27483643450688 63.546 > 65 66 Cu 0.78484070031761 0.16804907860578 0.27483643450688 63.546 > 65 67 Cu 0.28484070031761 0.66804907860578 0.27483643450688 63.546 > 65 68 Cu 0.78484070031761 0.66804907860578 0.27483643450688 63.546 > 65 69 Cu 0.28484070031761 0.16804907860578 0.77483643450688 63.546 > 65 70 Cu 0.78484070031761 0.16804907860578 0.77483643450688 63.546 > 65 71 Cu 0.28484070031761 0.66804907860578 0.77483643450688 63.546 > 65 72 Cu 0.78484070031761 0.66804907860578 0.77483643450688 63.546 > 65 73 Cu 0.21515929968239 0.33195092139422 0.22516356549312 63.546 > 73 74 Cu 0.71515929968239 0.33195092139422 0.22516356549312 63.546 > 73 75 Cu 0.21515929968239 0.83195092139422 0.22516356549312 63.546 > 73 76 Cu 0.71515929968239 0.83195092139422 0.22516356549312 63.546 > 73 77 Cu 0.21515929968239 0.33195092139422 0.72516356549312 63.546 > 73 78 Cu 0.71515929968239 0.33195092139422 0.72516356549312 63.546 > 73 79 Cu 0.21515929968239 0.83195092139422 0.72516356549312 63.546 > 73 80 Cu 0.71515929968239 0.83195092139422 0.72516356549312 63.546 > 73 81 Cu 0.21515929968239 0.41804907860578 0.47516356549312 63.546 > 81 82 Cu 0.71515929968239 0.41804907860578 0.47516356549312 63.546 > 81 83 Cu 0.21515929968239 0.91804907860578 0.47516356549312 63.546 > 81 84 Cu 0.71515929968239 0.91804907860578 0.47516356549312 63.546 > 81 85 Cu 0.21515929968239 0.41804907860578 0.97516356549312 63.546 > 81 86 Cu 0.71515929968239 0.41804907860578 0.97516356549312 63.546 > 81 87 Cu 0.21515929968239 0.91804907860578 0.97516356549312 63.546 > 81 88 Cu 0.71515929968239 0.91804907860578 0.97516356549312 63.546 > 81 89 Cu 0.28484070031761 0.08195092139422 0.02483643450688 63.546 > 89 90 Cu 0.78484070031761 0.08195092139422 0.02483643450688 63.546 > 89 91 Cu 0.28484070031761 0.58195092139422 0.02483643450688 63.546 > 89 92 Cu 0.78484070031761 0.58195092139422 0.02483643450688 63.546 > 89 93 Cu 0.28484070031761 0.08195092139422 0.52483643450688 63.546 > 89 94 Cu 0.78484070031761 0.08195092139422 0.52483643450688 63.546 > 89 95 Cu 0.28484070031761 0.58195092139422 0.52483643450688 63.546 > 89 96 Cu 0.78484070031761 0.58195092139422 0.52483643450688 63.546 > 89 97 La 0.09451033123331 0.02658821712787 0.15040188812504 138.905 > 97 98 La 0.59451033123331 0.02658821712787 0.15040188812504 138.905 > 97 99 La 0.09451033123331 0.52658821712787 0.15040188812504 138.905 > 97 100 La 0.59451033123331 0.52658821712787 0.15040188812504 138.905 > 97 101 La 0.09451033123331 0.02658821712787 0.65040188812504 138.905 > 97 102 La 0.59451033123331 0.02658821712787 0.65040188812504 138.905 > 97 103 La 0.09451033123331 0.52658821712787 0.65040188812504 138.905 > 97 104 La 0.59451033123331 0.52658821712787 0.65040188812504 138.905 > 97 105 La 0.40548966876669 0.27658821712788 0.09959811187496 138.905 > 105 106 La 0.90548966876669 0.27658821712788 0.09959811187496 138.905 > 105 107 La 0.40548966876669 0.77658821712788 0.09959811187496 138.905 > 105 108 La 0.90548966876669 0.77658821712788 0.09959811187496 138.905 > 105 109 La 0.40548966876669 0.27658821712788 0.59959811187496 138.905 > 105 110 La 0.90548966876669 0.27658821712788 0.59959811187496 138.905 > 105 111 La 0.40548966876669 0.77658821712788 0.59959811187496 138.905 > 105 112 La 0.90548966876669 0.77658821712788 0.59959811187496 138.905 > 105 113 La 0.40548966876669 0.47341178287212 0.34959811187496 138.905 > 113 114 La 0.90548966876669 0.47341178287212 0.34959811187496 138.905 > 113 115 La 0.40548966876669 0.97341178287212 0.34959811187496 138.905 > 113 116 La 0.90548966876669 0.97341178287212 0.34959811187496 138.905 > 113 117 La 0.40548966876669 0.47341178287212 0.84959811187496 138.905 > 113 118 La 0.90548966876669 0.47341178287212 0.84959811187496 138.905 > 113 119 La 0.40548966876669 0.97341178287212 0.84959811187496 138.905 > 113 120 La 0.90548966876669 0.97341178287212 0.84959811187496 138.905 > 113 121 La 0.09451033123331 0.22341178287212 0.40040188812504 138.905 > 121 122 La 0.59451033123331 0.22341178287212 0.40040188812504 138.905 > 121 123 La 0.09451033123331 0.72341178287212 0.40040188812504 138.905 > 121 124 La 0.59451033123331 0.72341178287212 0.40040188812504 138.905 > 121 125 La 0.09451033123331 0.22341178287212 0.90040188812504 138.905 > 121 126 La 0.59451033123331 0.22341178287212 0.90040188812504 138.905 > 121 127 La 0.09451033123331 0.72341178287212 0.90040188812504 138.905 > 121 128 La 0.59451033123331 0.72341178287212 0.90040188812504 138.905 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.1905536 0.0000000 -0.0707608 0.0000000 9.9993889 0.0000000 -0.0708778 0.0000000 10.4906172-------------------------- Born effective charges -------------------------- 1 S -2.4062764 0.0364868 0.0863335 0.0012577 -2.9306024 0.2216311 -0.0015880 0.3613044 -2.5156387 2 S -2.4062764 -0.0364868 0.0863335 -0.0012577 -2.9306024 -0.2216311 -0.0015880 -0.3613044 -2.5156387 3 S -2.4062764 0.0364868 0.0863335 0.0012577 -2.9306024 0.2216311 -0.0015880 0.3613044 -2.5156387 4 S -2.4062764 -0.0364868 0.0863335 -0.0012577 -2.9306024 -0.2216311 -0.0015880 -0.3613044 -2.5156387 5 S -2.2669560 0.5217513 -0.1923766 0.6463620 -2.5188996 -0.0588300 -0.1267440 -0.1046442 -2.5713204 6 S -2.2669560 -0.5217513 -0.1923766 -0.6463620 -2.5188996 0.0588300 -0.1267440 0.1046442 -2.5713204 7 S -2.2669560 0.5217513 -0.1923766 0.6463620 -2.5188996 -0.0588300 -0.1267440 -0.1046442 -2.5713204 8 S -2.2669560 -0.5217513 -0.1923766 -0.6463620 -2.5188996 0.0588300 -0.1267440 0.1046442 -2.5713204 9 Cu 0.3785857 0.0076967 0.0279079 0.0392093 0.6901424 0.2531994 0.0072363 0.1918196 0.9641520 10 Cu 0.3785857 0.0076967 0.0279079 0.0392093 0.6901424 0.2531994 0.0072363 0.1918196 0.9641520 11 Cu 0.3785857 -0.0076967 0.0279079 -0.0392093 0.6901424 -0.2531994 0.0072363 -0.1918196 0.9641520 12 Cu 0.3785857 -0.0076967 0.0279079 -0.0392093 0.6901424 -0.2531994 0.0072363 -0.1918196 0.9641520 13 La 4.2946466 -0.1639241 0.0781352 -0.1991786 4.7593596 0.0290154 0.1210956 0.3468199 4.1228070 14 La 4.2946466 0.1639241 0.0781352 0.1991786 4.7593596 -0.0290154 0.1210956 -0.3468199 4.1228070 15 La 4.2946466 -0.1639241 0.0781352 -0.1991786 4.7593596 0.0290154 0.1210956 0.3468199 4.1228070 16 La 4.2946466 0.1639241 0.0781352 0.1991786 4.7593596 -0.0290154 0.1210956 -0.3468199 4.1228070----------------------------------------------------------------------------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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 33, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000002 (xy) -0.00000002 (xy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 20:30:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 20:30:13]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 2]Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.477309204869798 0.000000000000000 0.000000000000000 b 0.000000000000000 7.219352370000002 0.000000000000000 c -0.929416462396135 0.000000000000000 6.751139794969011Atomic positions (fractional): 1 S 0.90597076513196 0.27451406332511 0.49964815619525 32.065 2 S 0.09402923486804 0.77451406332511 0.00035184380475 32.065 3 S 0.09402923486804 0.72548593667489 0.50035184380475 32.065 4 S 0.90597076513196 0.22548593667489 0.99964815619525 32.065 5 S 0.59065703068572 0.88707705902914 0.27589261918576 32.065 6 S 0.59065703068572 0.61292294097086 0.77589261918576 32.065 7 S 0.40934296931428 0.11292294097086 0.72410738081424 32.065 8 S 0.40934296931428 0.38707705902914 0.22410738081424 32.065 9 Cu 0.56968140063522 0.33609815721156 0.54967286901375 63.546 10 Cu 0.43031859936478 0.66390184278844 0.45032713098625 63.546 11 Cu 0.43031859936478 0.83609815721156 0.95032713098625 63.546 12 Cu 0.56968140063522 0.16390184278844 0.04967286901375 63.546 13 La 0.18902066246662 0.05317643425575 0.30080377625008 138.905 14 La 0.81097933753338 0.55317643425575 0.19919622374992 138.905 15 La 0.81097933753338 0.94682356574425 0.69919622374992 138.905 16 La 0.18902066246662 0.44682356574425 0.80080377625008 138.905-------------------------------- supercell ---------------------------------Lattice vectors: a 12.954618409739597 0.000000000000000 0.000000000000000 b 0.000000000000000 14.438704740000004 0.000000000000000 c -1.858832924792270 0.000000000000000 13.502279589938022Atomic positions (fractional): 1 S 0.45298538256598 0.13725703166256 0.24982407809762 32.065 > 1 2 S 0.95298538256598 0.13725703166256 0.24982407809762 32.065 > 1 3 S 0.45298538256598 0.63725703166256 0.24982407809762 32.065 > 1 4 S 0.95298538256598 0.63725703166256 0.24982407809762 32.065 > 1 5 S 0.45298538256598 0.13725703166256 0.74982407809762 32.065 > 1 6 S 0.95298538256598 0.13725703166256 0.74982407809762 32.065 > 1 7 S 0.45298538256598 0.63725703166256 0.74982407809762 32.065 > 1 8 S 0.95298538256598 0.63725703166256 0.74982407809762 32.065 > 1 9 S 0.04701461743402 0.38725703166256 0.00017592190238 32.065 > 9 10 S 0.54701461743402 0.38725703166256 0.00017592190238 32.065 > 9 11 S 0.04701461743402 0.88725703166256 0.00017592190238 32.065 > 9 12 S 0.54701461743402 0.88725703166256 0.00017592190238 32.065 > 9 13 S 0.04701461743402 0.38725703166256 0.50017592190238 32.065 > 9 14 S 0.54701461743402 0.38725703166256 0.50017592190238 32.065 > 9 15 S 0.04701461743402 0.88725703166256 0.50017592190238 32.065 > 9 16 S 0.54701461743402 0.88725703166256 0.50017592190238 32.065 > 9 17 S 0.04701461743402 0.36274296833744 0.25017592190238 32.065 > 17 18 S 0.54701461743402 0.36274296833744 0.25017592190238 32.065 > 17 19 S 0.04701461743402 0.86274296833744 0.25017592190238 32.065 > 17 20 S 0.54701461743402 0.86274296833744 0.25017592190238 32.065 > 17 21 S 0.04701461743402 0.36274296833744 0.75017592190238 32.065 > 17 22 S 0.54701461743402 0.36274296833744 0.75017592190238 32.065 > 17 23 S 0.04701461743402 0.86274296833744 0.75017592190238 32.065 > 17 24 S 0.54701461743402 0.86274296833744 0.75017592190238 32.065 > 17 25 S 0.45298538256598 0.11274296833744 0.49982407809762 32.065 > 25 26 S 0.95298538256598 0.11274296833744 0.49982407809762 32.065 > 25 27 S 0.45298538256598 0.61274296833744 0.49982407809762 32.065 > 25 28 S 0.95298538256598 0.61274296833744 0.49982407809762 32.065 > 25 29 S 0.45298538256598 0.11274296833744 0.99982407809762 32.065 > 25 30 S 0.95298538256598 0.11274296833744 0.99982407809762 32.065 > 25 31 S 0.45298538256598 0.61274296833744 0.99982407809762 32.065 > 25 32 S 0.95298538256598 0.61274296833744 0.99982407809762 32.065 > 25 33 S 0.29532851534286 0.44353852951457 0.13794630959288 32.065 > 33 34 S 0.79532851534286 0.44353852951457 0.13794630959288 32.065 > 33 35 S 0.29532851534286 0.94353852951457 0.13794630959288 32.065 > 33 36 S 0.79532851534286 0.94353852951457 0.13794630959288 32.065 > 33 37 S 0.29532851534286 0.44353852951457 0.63794630959288 32.065 > 33 38 S 0.79532851534286 0.44353852951457 0.63794630959288 32.065 > 33 39 S 0.29532851534286 0.94353852951457 0.63794630959288 32.065 > 33 40 S 0.79532851534286 0.94353852951457 0.63794630959288 32.065 > 33 41 S 0.29532851534286 0.30646147048543 0.38794630959288 32.065 > 41 42 S 0.79532851534286 0.30646147048543 0.38794630959288 32.065 > 41 43 S 0.29532851534286 0.80646147048543 0.38794630959288 32.065 > 41 44 S 0.79532851534286 0.80646147048543 0.38794630959288 32.065 > 41 45 S 0.29532851534286 0.30646147048543 0.88794630959288 32.065 > 41 46 S 0.79532851534286 0.30646147048543 0.88794630959288 32.065 > 41 47 S 0.29532851534286 0.80646147048543 0.88794630959288 32.065 > 41 48 S 0.79532851534286 0.80646147048543 0.88794630959288 32.065 > 41 49 S 0.20467148465714 0.05646147048543 0.36205369040712 32.065 > 49 50 S 0.70467148465714 0.05646147048543 0.36205369040712 32.065 > 49 51 S 0.20467148465714 0.55646147048543 0.36205369040712 32.065 > 49 52 S 0.70467148465714 0.55646147048543 0.36205369040712 32.065 > 49 53 S 0.20467148465714 0.05646147048543 0.86205369040712 32.065 > 49 54 S 0.70467148465714 0.05646147048543 0.86205369040712 32.065 > 49 55 S 0.20467148465714 0.55646147048543 0.86205369040712 32.065 > 49 56 S 0.70467148465714 0.55646147048543 0.86205369040712 32.065 > 49 57 S 0.20467148465714 0.19353852951457 0.11205369040712 32.065 > 57 58 S 0.70467148465714 0.19353852951457 0.11205369040712 32.065 > 57 59 S 0.20467148465714 0.69353852951457 0.11205369040712 32.065 > 57 60 S 0.70467148465714 0.69353852951457 0.11205369040712 32.065 > 57 61 S 0.20467148465714 0.19353852951457 0.61205369040712 32.065 > 57 62 S 0.70467148465714 0.19353852951457 0.61205369040712 32.065 > 57 63 S 0.20467148465714 0.69353852951457 0.61205369040712 32.065 > 57 64 S 0.70467148465714 0.69353852951457 0.61205369040712 32.065 > 57 65 Cu 0.28484070031761 0.16804907860578 0.27483643450688 63.546 > 65 66 Cu 0.78484070031761 0.16804907860578 0.27483643450688 63.546 > 65 67 Cu 0.28484070031761 0.66804907860578 0.27483643450688 63.546 > 65 68 Cu 0.78484070031761 0.66804907860578 0.27483643450688 63.546 > 65 69 Cu 0.28484070031761 0.16804907860578 0.77483643450688 63.546 > 65 70 Cu 0.78484070031761 0.16804907860578 0.77483643450688 63.546 > 65 71 Cu 0.28484070031761 0.66804907860578 0.77483643450688 63.546 > 65 72 Cu 0.78484070031761 0.66804907860578 0.77483643450688 63.546 > 65 73 Cu 0.21515929968239 0.33195092139422 0.22516356549312 63.546 > 73 74 Cu 0.71515929968239 0.33195092139422 0.22516356549312 63.546 > 73 75 Cu 0.21515929968239 0.83195092139422 0.22516356549312 63.546 > 73 76 Cu 0.71515929968239 0.83195092139422 0.22516356549312 63.546 > 73 77 Cu 0.21515929968239 0.33195092139422 0.72516356549312 63.546 > 73 78 Cu 0.71515929968239 0.33195092139422 0.72516356549312 63.546 > 73 79 Cu 0.21515929968239 0.83195092139422 0.72516356549312 63.546 > 73 80 Cu 0.71515929968239 0.83195092139422 0.72516356549312 63.546 > 73 81 Cu 0.21515929968239 0.41804907860578 0.47516356549312 63.546 > 81 82 Cu 0.71515929968239 0.41804907860578 0.47516356549312 63.546 > 81 83 Cu 0.21515929968239 0.91804907860578 0.47516356549312 63.546 > 81 84 Cu 0.71515929968239 0.91804907860578 0.47516356549312 63.546 > 81 85 Cu 0.21515929968239 0.41804907860578 0.97516356549312 63.546 > 81 86 Cu 0.71515929968239 0.41804907860578 0.97516356549312 63.546 > 81 87 Cu 0.21515929968239 0.91804907860578 0.97516356549312 63.546 > 81 88 Cu 0.71515929968239 0.91804907860578 0.97516356549312 63.546 > 81 89 Cu 0.28484070031761 0.08195092139422 0.02483643450688 63.546 > 89 90 Cu 0.78484070031761 0.08195092139422 0.02483643450688 63.546 > 89 91 Cu 0.28484070031761 0.58195092139422 0.02483643450688 63.546 > 89 92 Cu 0.78484070031761 0.58195092139422 0.02483643450688 63.546 > 89 93 Cu 0.28484070031761 0.08195092139422 0.52483643450688 63.546 > 89 94 Cu 0.78484070031761 0.08195092139422 0.52483643450688 63.546 > 89 95 Cu 0.28484070031761 0.58195092139422 0.52483643450688 63.546 > 89 96 Cu 0.78484070031761 0.58195092139422 0.52483643450688 63.546 > 89 97 La 0.09451033123331 0.02658821712787 0.15040188812504 138.905 > 97 98 La 0.59451033123331 0.02658821712787 0.15040188812504 138.905 > 97 99 La 0.09451033123331 0.52658821712787 0.15040188812504 138.905 > 97 100 La 0.59451033123331 0.52658821712787 0.15040188812504 138.905 > 97 101 La 0.09451033123331 0.02658821712787 0.65040188812504 138.905 > 97 102 La 0.59451033123331 0.02658821712787 0.65040188812504 138.905 > 97 103 La 0.09451033123331 0.52658821712787 0.65040188812504 138.905 > 97 104 La 0.59451033123331 0.52658821712787 0.65040188812504 138.905 > 97 105 La 0.40548966876669 0.27658821712788 0.09959811187496 138.905 > 105 106 La 0.90548966876669 0.27658821712788 0.09959811187496 138.905 > 105 107 La 0.40548966876669 0.77658821712788 0.09959811187496 138.905 > 105 108 La 0.90548966876669 0.77658821712788 0.09959811187496 138.905 > 105 109 La 0.40548966876669 0.27658821712788 0.59959811187496 138.905 > 105 110 La 0.90548966876669 0.27658821712788 0.59959811187496 138.905 > 105 111 La 0.40548966876669 0.77658821712788 0.59959811187496 138.905 > 105 112 La 0.90548966876669 0.77658821712788 0.59959811187496 138.905 > 105 113 La 0.40548966876669 0.47341178287212 0.34959811187496 138.905 > 113 114 La 0.90548966876669 0.47341178287212 0.34959811187496 138.905 > 113 115 La 0.40548966876669 0.97341178287212 0.34959811187496 138.905 > 113 116 La 0.90548966876669 0.97341178287212 0.34959811187496 138.905 > 113 117 La 0.40548966876669 0.47341178287212 0.84959811187496 138.905 > 113 118 La 0.90548966876669 0.47341178287212 0.84959811187496 138.905 > 113 119 La 0.40548966876669 0.97341178287212 0.84959811187496 138.905 > 113 120 La 0.90548966876669 0.97341178287212 0.84959811187496 138.905 > 113 121 La 0.09451033123331 0.22341178287212 0.40040188812504 138.905 > 121 122 La 0.59451033123331 0.22341178287212 0.40040188812504 138.905 > 121 123 La 0.09451033123331 0.72341178287212 0.40040188812504 138.905 > 121 124 La 0.59451033123331 0.72341178287212 0.40040188812504 138.905 > 121 125 La 0.09451033123331 0.22341178287212 0.90040188812504 138.905 > 121 126 La 0.59451033123331 0.22341178287212 0.90040188812504 138.905 > 121 127 La 0.09451033123331 0.72341178287212 0.90040188812504 138.905 > 121 128 La 0.59451033123331 0.72341178287212 0.90040188812504 138.905 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 9.1905536 0.0000000 -0.0707608 0.0000000 9.9993889 0.0000000 -0.0708778 0.0000000 10.4906172-------------------------- Born effective charges -------------------------- 1 S -2.4062764 0.0364868 0.0863335 0.0012577 -2.9306024 0.2216311 -0.0015880 0.3613044 -2.5156387 2 S -2.4062764 -0.0364868 0.0863335 -0.0012577 -2.9306024 -0.2216311 -0.0015880 -0.3613044 -2.5156387 3 S -2.4062764 0.0364868 0.0863335 0.0012577 -2.9306024 0.2216311 -0.0015880 0.3613044 -2.5156387 4 S -2.4062764 -0.0364868 0.0863335 -0.0012577 -2.9306024 -0.2216311 -0.0015880 -0.3613044 -2.5156387 5 S -2.2669560 0.5217513 -0.1923766 0.6463620 -2.5188996 -0.0588300 -0.1267440 -0.1046442 -2.5713204 6 S -2.2669560 -0.5217513 -0.1923766 -0.6463620 -2.5188996 0.0588300 -0.1267440 0.1046442 -2.5713204 7 S -2.2669560 0.5217513 -0.1923766 0.6463620 -2.5188996 -0.0588300 -0.1267440 -0.1046442 -2.5713204 8 S -2.2669560 -0.5217513 -0.1923766 -0.6463620 -2.5188996 0.0588300 -0.1267440 0.1046442 -2.5713204 9 Cu 0.3785857 0.0076967 0.0279079 0.0392093 0.6901424 0.2531994 0.0072363 0.1918196 0.9641520 10 Cu 0.3785857 0.0076967 0.0279079 0.0392093 0.6901424 0.2531994 0.0072363 0.1918196 0.9641520 11 Cu 0.3785857 -0.0076967 0.0279079 -0.0392093 0.6901424 -0.2531994 0.0072363 -0.1918196 0.9641520 12 Cu 0.3785857 -0.0076967 0.0279079 -0.0392093 0.6901424 -0.2531994 0.0072363 -0.1918196 0.9641520 13 La 4.2946466 -0.1639241 0.0781352 -0.1991786 4.7593596 0.0290154 0.1210956 0.3468199 4.1228070 14 La 4.2946466 0.1639241 0.0781352 0.1991786 4.7593596 -0.0290154 0.1210956 -0.3468199 4.1228070 15 La 4.2946466 -0.1639241 0.0781352 -0.1991786 4.7593596 0.0290154 0.1210956 0.3468199 4.1228070 16 La 4.2946466 0.1639241 0.0781352 0.1991786 4.7593596 -0.0290154 0.1210956 -0.3468199 4.1228070----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 8 7 7 ]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: 0.61, Number of G-points: 299, Lambda: 0.20Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/116) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 1.799 ( 0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.307 ( 0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 3.131 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.204 ( 0.000 0.000 0.000) 0.000 3.342 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 5.966 ( 0.000 0.000 0.000) 0.000 6.196 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 6.763 ( 0.000 0.000 0.000) 0.000 6.964 ( 0.000 0.000 0.000) 0.000 7.063 ( 0.000 0.000 0.000) 0.000 7.067 ( 0.000 0.000 0.000) 0.000 7.093 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.404 ( 0.000 0.000 0.000) 0.000 7.508 ( 0.000 0.000 0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 8.276 ( 0.000 0.000 0.000) 0.000 8.324 ( 0.000 0.000 0.000) 0.000 8.509 ( 0.000 0.000 0.000) 0.000 8.764 ( 0.000 0.000 0.000) 0.000 8.798 ( 0.000 0.000 0.000) 0.000 8.957 ( 0.000 0.000 0.000) 0.000 9.196 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/116) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.471 ( 23.891 0.000 1.388) 23.932 0.577 ( 28.633 0.000 1.936) 28.698 0.815 ( 40.175 0.000 9.506) 41.284 1.811 ( 1.061 0.000 0.802) 1.330 2.173 ( -3.190 0.000 -2.480) 4.041 2.262 ( 0.940 0.000 1.700) 1.942 2.305 ( 0.089 0.000 -2.351) 2.352 2.608 ( -3.621 0.000 -0.808) 3.710 2.625 ( -6.889 0.000 -2.433) 7.306 2.726 ( -0.125 0.000 2.967) 2.969 2.841 ( 1.676 0.000 3.915) 4.259 3.011 ( 4.677 0.000 2.515) 5.310 3.131 ( -0.754 0.000 -0.007) 0.754 3.170 ( -5.530 0.000 4.960) 7.429 3.247 ( 4.364 0.000 1.089) 4.498 3.292 ( -3.440 0.000 -1.988) 3.973 3.372 ( -3.732 0.000 -2.734) 4.627 3.640 ( -1.946 0.000 -1.328) 2.356 3.644 ( 1.217 0.000 -0.135) 1.225 3.976 ( 0.801 0.000 -10.234) 10.265 4.145 ( 1.531 0.000 0.906) 1.779 4.423 ( -7.372 0.000 0.739) 7.409 4.500 ( 2.174 0.000 -2.849) 3.584 5.034 ( -4.852 0.000 -1.199) 4.998 5.965 ( 1.925 0.000 -1.209) 2.273 6.065 ( -5.607 0.000 19.462) 20.254 6.218 ( 0.066 0.000 2.707) 2.708 6.297 ( 2.995 0.000 3.466) 4.581 6.459 ( 0.970 0.000 0.599) 1.140 6.745 ( -1.038 0.000 -0.877) 1.359 7.001 ( 2.047 0.000 2.901) 3.550 7.028 ( -1.036 0.000 0.544) 1.170 7.086 ( 1.151 0.000 -2.863) 3.086 7.125 ( 0.930 0.000 0.417) 1.020 7.171 ( 5.829 0.000 4.129) 7.143 7.376 ( -3.928 0.000 -3.822) 5.481 7.400 ( 0.929 0.000 -5.278) 5.359 7.409 ( -6.153 0.000 -2.005) 6.472 7.848 ( -0.444 0.000 2.455) 2.495 8.019 ( -6.876 0.000 -0.664) 6.908 8.291 ( -2.610 0.000 -1.602) 3.063 8.365 ( 5.931 0.000 0.441) 5.947 8.550 ( 3.145 0.000 1.993) 3.723 8.695 ( -3.226 0.000 5.716) 6.563 8.745 ( -1.003 0.000 -5.281) 5.375 8.805 ( 0.740 0.000 2.158) 2.282 8.984 ( 2.387 0.000 0.496) 2.438 9.432 ( 0.043 0.000 -4.256) 4.256======================= Grid point 2 (3/116) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.921 ( 21.975 0.000 2.436) 22.110 1.095 ( 23.932 0.000 1.998) 24.015 1.579 ( 35.530 0.000 8.332) 36.494 1.840 ( 1.698 0.000 1.064) 2.004 2.079 ( -5.854 0.000 -2.755) 6.470 2.287 ( 1.392 0.000 1.349) 1.938 2.304 ( 0.808 0.000 -3.387) 3.482 2.462 ( -8.520 0.000 -5.074) 9.917 2.533 ( -3.239 0.000 -1.007) 3.391 2.737 ( 0.258 0.000 5.276) 5.282 2.876 ( 1.195 0.000 2.222) 2.522 2.993 ( -11.940 0.000 6.316) 13.508 3.095 ( -3.554 0.000 -4.923) 6.071 3.128 ( 5.736 0.000 3.759) 6.858 3.193 ( -5.899 0.000 0.289) 5.906 3.357 ( 6.080 0.000 0.919) 6.149 3.362 ( 2.621 0.000 -3.128) 4.081 3.591 ( -2.134 0.000 -1.643) 2.693 3.659 ( 0.354 0.000 -0.155) 0.387 3.951 ( -1.326 0.000 -6.136) 6.277 4.172 ( 0.906 0.000 0.702) 1.146 4.225 ( -12.931 0.000 0.966) 12.967 4.538 ( 2.201 0.000 -3.108) 3.808 4.906 ( -7.635 0.000 -0.665) 7.664 6.009 ( 2.849 0.000 -1.703) 3.320 6.011 ( -3.551 0.000 7.331) 8.146 6.212 ( -0.967 0.000 2.166) 2.372 6.380 ( 4.004 0.000 2.796) 4.884 6.484 ( 1.243 0.000 0.732) 1.443 6.736 ( 0.348 0.000 -0.243) 0.424 7.016 ( -1.363 0.000 0.920) 1.644 7.021 ( -0.284 0.000 1.600) 1.625 7.108 ( 1.808 0.000 -2.279) 2.909 7.117 ( -3.070 0.000 -0.204) 3.076 7.205 ( -7.091 0.000 -5.921) 9.238 7.302 ( 4.982 0.000 4.034) 6.411 7.412 ( 3.766 0.000 3.460) 5.115 7.425 ( 4.341 0.000 -4.283) 6.098 7.841 ( -1.288 0.000 4.171) 4.365 7.882 ( -6.338 0.000 -1.629) 6.544 8.206 ( -5.262 0.000 -2.535) 5.841 8.466 ( 3.717 0.000 0.474) 3.747 8.614 ( 2.802 0.000 0.525) 2.850 8.620 ( -5.378 0.000 2.216) 5.817 8.710 ( -1.121 0.000 -4.733) 4.864 8.845 ( 2.311 0.000 3.671) 4.338 9.037 ( 2.633 0.000 0.735) 2.734 9.418 ( -0.537 0.000 -1.831) 1.908======================= Grid point 3 (4/116) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.313 ( 17.049 0.000 2.724) 17.265 1.490 ( 15.870 0.000 2.419) 16.054 1.866 ( 0.933 0.000 4.238) 4.340 1.942 ( -7.053 0.000 -2.746) 7.569 2.113 ( 10.411 0.000 -2.449) 10.695 2.236 ( -7.443 0.000 -1.935) 7.690 2.327 ( 2.236 0.000 1.005) 2.451 2.473 ( 18.581 0.000 -0.210) 18.582 2.499 ( 0.661 0.000 -2.265) 2.359 2.745 ( -5.292 0.000 4.839) 7.171 2.800 ( -4.658 0.000 5.688) 7.352 2.899 ( 0.738 0.000 0.730) 1.038 2.987 ( -5.230 0.000 -3.968) 6.565 3.101 ( -3.465 0.000 -1.965) 3.984 3.189 ( -3.059 0.000 1.228) 3.296 3.408 ( 2.167 0.000 -0.908) 2.350 3.444 ( 2.301 0.000 -0.720) 2.411 3.600 ( 4.348 0.000 2.504) 5.017 3.660 ( -0.045 0.000 -0.218) 0.223 3.888 ( -3.706 0.000 -3.824) 5.325 3.964 ( -12.640 0.000 -0.559) 12.653 4.186 ( 0.434 0.000 0.141) 0.457 4.562 ( 0.928 0.000 -1.687) 1.925 4.764 ( -6.055 0.000 -0.229) 6.059 5.971 ( -1.874 0.000 2.836) 3.399 6.055 ( 2.104 0.000 -1.198) 2.421 6.200 ( -0.660 0.000 1.444) 1.588 6.450 ( 2.531 0.000 1.287) 2.840 6.505 ( 0.705 0.000 0.524) 0.878 6.751 ( 0.935 0.000 0.141) 0.945 6.944 ( -4.512 0.000 -2.141) 4.994 7.021 ( -0.171 0.000 1.306) 1.317 7.062 ( -1.322 0.000 0.531) 1.424 7.103 ( -3.278 0.000 -2.542) 4.148 7.138 ( 1.527 0.000 -1.338) 2.030 7.347 ( 0.305 0.000 0.980) 1.026 7.522 ( 4.700 0.000 5.137) 6.963 7.568 ( 9.449 0.000 -1.940) 9.646 7.789 ( -2.141 0.000 -2.345) 3.176 7.812 ( -3.235 0.000 4.573) 5.602 8.088 ( -5.767 0.000 -2.301) 6.209 8.510 ( 1.109 0.000 0.179) 1.123 8.517 ( -4.833 0.000 -0.434) 4.852 8.656 ( 1.535 0.000 -0.226) 1.551 8.681 ( -0.795 0.000 -2.286) 2.420 8.898 ( 1.894 0.000 2.507) 3.142 9.081 ( 1.595 0.000 0.577) 1.696 9.404 ( -0.464 0.000 -0.791) 0.917======================= Grid point 4 (5/116) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.514 ( 0.000 0.000 -0.000) 0.000 1.682 ( -0.000 0.000 -0.000) 0.000 1.834 ( 0.000 0.000 -0.000) 0.000 1.887 ( 0.000 0.000 -0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 -0.000) 0.000 2.814 ( 0.000 0.000 -0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 -0.000) 0.000 2.998 ( -0.000 0.000 -0.000) 0.000 3.060 ( 0.000 0.000 -0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 -0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 3.803 ( -0.000 0.000 -0.000) 0.000 3.828 ( 0.000 0.000 -0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 -0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 -0.000) 0.000 6.075 ( 0.000 0.000 0.000) 0.000 6.195 ( 0.000 0.000 -0.000) 0.000 6.478 ( 0.000 0.000 -0.000) 0.000 6.512 ( 0.000 0.000 -0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 -0.000) 0.000 7.058 ( 0.000 0.000 -0.000) 0.000 7.060 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.349 ( 0.000 0.000 -0.000) 0.000 7.575 ( 0.000 0.000 -0.000) 0.000 7.721 ( -0.000 0.000 0.000) 0.000 7.731 ( 0.000 0.000 -0.000) 0.000 7.781 ( -0.000 0.000 -0.000) 0.000 8.013 ( 0.000 0.000 -0.000) 0.000 8.464 ( 0.000 0.000 0.000) 0.000 8.520 ( 0.000 0.000 -0.000) 0.000 8.670 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 -0.000) 0.000 8.920 ( 0.000 0.000 -0.000) 0.000 9.098 ( 0.000 0.000 -0.000) 0.000 9.399 ( 0.000 0.000 0.000) 0.000======================= Grid point 9 (6/116) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.546 ( 0.000 26.976 0.000) 26.976 0.619 ( 0.000 30.723 0.000) 30.723 1.034 ( 0.000 50.487 0.000) 50.487 1.804 ( 0.000 0.344 0.000) 0.344 2.166 ( 0.000 -2.759 0.000) 2.759 2.259 ( 0.000 0.739 0.000) 0.739 2.337 ( 0.000 0.651 0.000) 0.651 2.645 ( 0.000 2.837 0.000) 2.837 2.669 ( 0.000 -6.551 0.000) 6.551 2.785 ( 0.000 6.186 0.000) 6.186 2.810 ( 0.000 -3.211 0.000) 3.211 2.940 ( 0.000 -0.102 0.000) 0.102 3.045 ( 0.000 -4.179 0.000) 4.179 3.180 ( 0.000 -2.245 0.000) 2.245 3.289 ( 0.000 3.224 0.000) 3.224 3.383 ( 0.000 1.548 0.000) 1.548 3.436 ( 0.000 0.537 0.000) 0.537 3.606 ( 0.000 -2.563 0.000) 2.563 3.673 ( 0.000 1.475 0.000) 1.475 3.771 ( 0.000 3.386 0.000) 3.386 4.091 ( 0.000 -3.369 0.000) 3.369 4.406 ( 0.000 -7.404 0.000) 7.404 4.462 ( 0.000 -3.059 0.000) 3.059 4.988 ( 0.000 -9.513 0.000) 9.513 6.002 ( 0.000 3.461 0.000) 3.461 6.206 ( 0.000 0.921 0.000) 0.921 6.278 ( 0.000 1.269 0.000) 1.269 6.438 ( 0.000 -0.853 0.000) 0.853 6.605 ( 0.000 3.640 0.000) 3.640 6.730 ( 0.000 -1.974 0.000) 1.974 6.801 ( 0.000 -1.527 0.000) 1.527 6.903 ( 0.000 -3.258 0.000) 3.258 7.028 ( 0.000 -1.310 0.000) 1.310 7.115 ( 0.000 2.338 0.000) 2.338 7.123 ( 0.000 3.146 0.000) 3.146 7.413 ( 0.000 0.906 0.000) 0.906 7.559 ( 0.000 6.247 0.000) 6.247 7.828 ( 0.000 -1.971 0.000) 1.971 7.953 ( 0.000 -4.393 0.000) 4.393 8.096 ( 0.000 -1.388 0.000) 1.388 8.102 ( 0.000 1.946 0.000) 1.946 8.320 ( 0.000 -0.333 0.000) 0.333 8.500 ( 0.000 -0.983 0.000) 0.983 8.556 ( 0.000 -1.419 0.000) 1.419 8.773 ( 0.000 0.831 0.000) 0.831 8.797 ( 0.000 0.030 0.000) 0.030 9.215 ( 0.000 1.770 0.000) 1.770 9.378 ( 0.000 -0.741 0.000) 0.741======================= Grid point 10 (7/116) =======================q-point: ( 0.12 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( 13.460 19.374 5.430) 24.207 0.739 ( 14.687 21.003 4.783) 26.072 1.344 ( 24.578 37.065 1.548) 44.500 1.818 ( 1.270 0.585 0.720) 1.573 2.146 ( -1.787 -1.755 -2.026) 3.222 2.265 ( 0.759 1.059 0.245) 1.326 2.331 ( -0.446 0.495 -1.108) 1.293 2.607 ( -4.367 1.598 2.304) 5.190 2.659 ( -1.496 -3.459 -0.770) 3.847 2.723 ( -4.464 4.500 -2.098) 6.677 2.826 ( 1.287 -3.357 0.645) 3.652 2.987 ( 2.961 -1.898 2.532) 4.334 3.055 ( 1.074 -3.380 0.631) 3.602 3.135 ( -5.159 -2.124 5.071) 7.539 3.280 ( 0.937 1.675 -0.270) 1.938 3.308 ( -5.946 0.978 -0.351) 6.036 3.431 ( 0.212 4.120 -3.014) 5.109 3.574 ( -2.102 -3.894 -1.451) 4.657 3.710 ( 1.071 3.341 -0.737) 3.585 3.865 ( 6.269 -3.898 -3.638) 8.230 4.114 ( 1.529 -3.252 1.000) 3.730 4.402 ( -5.668 -2.158 1.035) 6.153 4.442 ( 3.051 -5.939 -3.165) 7.389 4.947 ( -4.027 -8.498 -0.044) 9.403 5.979 ( -1.153 3.309 -0.243) 3.512 6.225 ( -0.114 1.983 -1.260) 2.352 6.299 ( 2.580 0.963 1.816) 3.299 6.363 ( -11.257 13.245 9.934) 20.021 6.460 ( 1.009 0.177 1.405) 1.739 6.737 ( -1.109 -1.373 0.552) 1.849 6.848 ( 1.564 -7.255 1.793) 7.635 6.981 ( 4.385 -4.317 -3.771) 7.217 7.071 ( 4.143 -0.987 -1.105) 4.400 7.119 ( 0.095 1.139 1.610) 1.974 7.167 ( 3.243 1.864 1.696) 4.107 7.391 ( -2.831 1.487 -2.757) 4.222 7.491 ( -4.080 6.981 -2.200) 8.380 7.704 ( -11.562 11.847 0.151) 16.555 7.831 ( -0.612 -1.194 0.932) 1.634 8.005 ( -6.382 -1.963 -1.236) 6.790 8.264 ( -2.069 -2.477 -1.547) 3.579 8.306 ( 7.635 -3.121 -1.184) 8.333 8.538 ( 2.998 -1.242 1.819) 3.720 8.611 ( 2.777 -4.957 0.372) 5.694 8.729 ( -3.886 0.995 1.607) 4.322 8.808 ( 0.614 0.189 2.080) 2.177 9.128 ( -3.436 6.969 -0.657) 7.798 9.397 ( 0.640 -2.455 -3.101) 4.006======================= Grid point 11 (8/116) =======================q-point: ( 0.25 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( 19.847 10.453 0.811) 22.446 1.105 ( 20.172 6.806 6.623) 22.295 1.802 ( 13.990 11.993 7.446) 19.874 1.866 ( 7.753 5.994 -1.998) 10.002 2.086 ( -3.589 0.647 -2.122) 4.219 2.285 ( 0.552 1.555 -1.799) 2.441 2.332 ( 2.083 2.474 0.104) 3.236 2.497 ( -5.543 3.094 -0.393) 6.360 2.586 ( -4.768 4.840 -4.022) 7.896 2.685 ( 0.322 -5.201 4.887) 7.144 2.837 ( -1.534 -4.718 -1.555) 5.199 2.971 ( -5.726 -0.661 5.523) 7.983 3.044 ( -1.536 -3.834 -2.354) 4.754 3.127 ( 1.126 -1.959 2.296) 3.221 3.162 ( -4.649 0.875 3.747) 6.035 3.344 ( 3.783 -0.644 -1.104) 3.993 3.439 ( 1.062 2.942 -4.889) 5.804 3.555 ( 1.521 -1.130 -0.737) 2.033 3.713 ( -0.466 4.102 0.176) 4.132 3.916 ( 0.256 -2.764 -4.223) 5.054 4.137 ( 0.452 -3.379 0.951) 3.539 4.243 ( -10.201 1.755 0.144) 10.352 4.500 ( 3.036 -4.240 -2.844) 5.940 4.845 ( -6.077 -5.834 -0.043) 8.424 5.974 ( 0.286 1.941 0.849) 2.137 6.170 ( -3.404 6.492 -0.836) 7.378 6.274 ( -1.843 7.861 5.454) 9.744 6.382 ( 4.029 0.365 2.692) 4.859 6.496 ( 1.980 0.854 1.316) 2.526 6.723 ( -0.418 -1.173 0.791) 1.475 6.875 ( 0.925 -7.380 1.384) 7.565 7.005 ( -0.644 -3.462 -3.016) 4.636 7.103 ( -1.856 -0.000 0.573) 1.943 7.154 ( 1.646 0.433 -1.932) 2.575 7.223 ( -0.221 2.393 0.223) 2.414 7.295 ( 0.808 1.404 -2.392) 2.889 7.484 ( 0.957 5.476 3.434) 6.534 7.574 ( -1.096 10.177 -1.678) 10.373 7.818 ( -1.663 -2.026 3.528) 4.395 7.874 ( -5.958 -1.330 -2.037) 6.436 8.168 ( -5.835 -2.870 -2.219) 6.871 8.440 ( 5.313 -2.406 -1.596) 6.047 8.594 ( 1.744 -3.039 -0.190) 3.509 8.634 ( -1.004 -3.249 -2.623) 4.295 8.650 ( -3.167 1.432 3.543) 4.963 8.839 ( 1.687 -0.632 3.628) 4.051 9.107 ( 0.643 5.025 -0.325) 5.077 9.388 ( -0.595 -2.660 -2.018) 3.391======================= Grid point 12 (9/116) =======================q-point: ( 0.38 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( 15.039 8.713 2.522) 17.562 1.496 ( 17.625 0.870 2.625) 17.841 1.864 ( -0.566 0.190 4.180) 4.223 1.960 ( -3.171 2.370 -2.953) 4.939 2.103 ( 3.887 -3.150 -0.472) 5.025 2.234 ( -6.544 -1.281 -3.357) 7.465 2.317 ( -2.122 3.855 0.389) 4.418 2.506 ( -1.306 3.312 -1.686) 3.939 2.591 ( 11.937 5.102 2.528) 13.226 2.712 ( -5.944 -7.248 0.741) 9.402 2.738 ( 0.943 -0.899 4.947) 5.116 2.925 ( -2.041 -0.311 0.654) 2.166 2.963 ( -4.640 -0.358 -2.548) 5.306 3.060 ( -1.177 -2.290 -0.478) 2.619 3.237 ( 3.750 4.402 1.354) 5.939 3.402 ( 2.664 -1.258 -1.207) 3.184 3.439 ( 0.287 -0.916 -2.593) 2.765 3.638 ( 6.195 3.915 1.467) 7.474 3.699 ( -0.843 3.764 0.461) 3.885 3.860 ( -5.091 -2.959 -1.080) 5.987 4.012 ( -10.934 5.049 -1.825) 12.181 4.162 ( 0.614 -2.243 -0.230) 2.337 4.531 ( 0.768 -3.559 -1.331) 3.876 4.737 ( -4.332 -2.470 -0.074) 4.987 5.982 ( 0.096 2.008 1.015) 2.252 6.126 ( -1.023 4.810 -0.862) 4.993 6.265 ( -0.443 6.882 2.442) 7.316 6.454 ( 2.536 0.457 1.487) 2.975 6.534 ( 1.400 2.443 0.755) 2.915 6.723 ( 0.138 -2.366 0.585) 2.441 6.892 ( 0.542 -7.003 0.764) 7.066 6.958 ( -2.600 -0.468 -1.875) 3.240 7.042 ( -3.850 -2.000 -1.533) 4.601 7.116 ( -1.108 2.214 -2.036) 3.205 7.223 ( 0.464 5.851 0.458) 5.887 7.411 ( 5.429 0.334 0.465) 5.459 7.482 ( 1.021 2.114 3.074) 3.868 7.641 ( 4.107 4.319 -0.078) 5.961 7.767 ( -3.701 -1.892 2.053) 4.636 7.808 ( 0.272 -1.157 -0.577) 1.321 8.040 ( -6.708 -3.414 -1.642) 7.704 8.506 ( 2.137 -0.206 -1.366) 2.544 8.536 ( -4.180 -0.259 -2.415) 4.834 8.613 ( -0.722 -3.724 1.122) 3.956 8.659 ( 1.107 -0.388 0.143) 1.182 8.881 ( 1.471 -1.656 2.558) 3.384 9.129 ( 1.156 3.641 0.172) 3.824 9.370 ( -0.702 -3.132 -1.055) 3.378======================= Grid point 13 (10/116) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 0.000 6.122 0.000) 6.122 1.729 ( 0.000 4.256 -0.000) 4.256 1.813 ( 0.000 -0.458 -0.000) 0.458 1.944 ( 0.000 4.113 -0.000) 4.113 2.077 ( 0.000 0.850 0.000) 0.850 2.164 ( 0.000 -10.403 -0.000) 10.403 2.308 ( 0.000 1.004 -0.000) 1.004 2.503 ( 0.000 0.119 -0.000) 0.119 2.603 ( -0.000 -1.636 0.000) 1.636 2.753 ( 0.000 -5.516 -0.000) 5.516 2.787 ( 0.000 -2.426 -0.000) 2.426 2.871 ( -0.000 -3.781 -0.000) 3.781 2.929 ( 0.000 2.284 0.000) 2.284 3.058 ( 0.000 -1.109 -0.000) 1.109 3.279 ( 0.000 17.098 0.000) 17.098 3.434 ( -0.000 0.507 0.000) 0.507 3.436 ( 0.000 -3.442 -0.000) 3.442 3.690 ( 0.000 3.524 -0.000) 3.524 3.743 ( 0.000 3.723 0.000) 3.723 3.778 ( 0.000 -4.448 0.000) 4.448 3.864 ( 0.000 6.118 0.000) 6.118 4.170 ( 0.000 -1.950 -0.000) 1.950 4.533 ( 0.000 -3.858 -0.000) 3.858 4.695 ( 0.000 -0.627 0.000) 0.627 5.983 ( 0.000 2.632 -0.000) 2.632 6.117 ( 0.000 3.407 0.000) 3.407 6.264 ( 0.000 6.955 -0.000) 6.955 6.481 ( 0.000 0.432 0.000) 0.432 6.549 ( 0.000 3.463 -0.000) 3.463 6.726 ( 0.000 -3.293 0.000) 3.293 6.899 ( 0.000 -6.786 0.000) 6.786 6.927 ( 0.000 2.401 -0.000) 2.401 6.997 ( 0.000 -4.104 -0.000) 4.104 7.105 ( 0.000 2.024 0.000) 2.024 7.228 ( 0.000 5.996 0.000) 5.996 7.435 ( 0.000 5.677 -0.000) 5.677 7.554 ( 0.000 -2.497 -0.000) 2.497 7.659 ( -0.000 -3.228 -0.000) 3.228 7.720 ( 0.000 0.133 -0.000) 0.133 7.872 ( -0.000 5.392 -0.000) 5.392 7.926 ( 0.000 -7.582 -0.000) 7.582 8.484 ( 0.000 0.666 0.000) 0.666 8.526 ( 0.000 0.652 -0.000) 0.652 8.604 ( 0.000 -4.725 -0.000) 4.725 8.671 ( 0.000 -0.172 0.000) 0.172 8.900 ( 0.000 -2.066 -0.000) 2.066 9.142 ( 0.000 3.400 0.000) 3.400 9.361 ( 0.000 -3.465 0.000) 3.465======================= Grid point 18 (11/116) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( 0.000 23.857 0.000) 23.857 1.205 ( 0.000 28.268 0.000) 28.268 1.798 ( 0.000 -1.097 0.000) 1.097 1.922 ( 0.000 33.174 0.000) 33.174 2.135 ( 0.000 -0.152 0.000) 0.152 2.318 ( 0.000 -1.778 0.000) 1.778 2.320 ( 0.000 9.133 0.000) 9.133 2.493 ( 0.000 -11.261 0.000) 11.261 2.624 ( 0.000 -11.765 0.000) 11.765 2.762 ( 0.000 7.760 0.000) 7.760 2.900 ( 0.000 4.919 0.000) 4.919 2.968 ( 0.000 0.125 0.000) 0.125 3.054 ( 0.000 5.642 0.000) 5.642 3.126 ( 0.000 -2.843 0.000) 2.843 3.287 ( 0.000 -3.727 0.000) 3.727 3.435 ( 0.000 4.434 0.000) 4.434 3.460 ( 0.000 2.031 0.000) 2.031 3.595 ( 0.000 1.170 0.000) 1.170 3.702 ( 0.000 1.170 0.000) 1.170 3.819 ( 0.000 1.391 0.000) 1.391 3.989 ( 0.000 -7.169 0.000) 7.169 4.197 ( 0.000 -13.528 0.000) 13.528 4.391 ( 0.000 -3.462 0.000) 3.462 4.731 ( 0.000 -15.103 0.000) 15.103 6.092 ( 0.000 5.319 0.000) 5.319 6.229 ( 0.000 1.286 0.000) 1.286 6.315 ( 0.000 2.225 0.000) 2.225 6.416 ( 0.000 -1.336 0.000) 1.336 6.658 ( 0.000 -4.672 0.000) 4.672 6.663 ( 0.000 -0.603 0.000) 0.603 6.750 ( 0.000 -0.222 0.000) 0.222 6.875 ( 0.000 -0.105 0.000) 0.105 7.065 ( 0.000 3.665 0.000) 3.665 7.157 ( 0.000 0.281 0.000) 0.281 7.191 ( 0.000 5.808 0.000) 5.808 7.437 ( 0.000 1.291 0.000) 1.291 7.691 ( 0.000 6.627 0.000) 6.627 7.776 ( 0.000 -3.022 0.000) 3.022 7.845 ( 0.000 -5.994 0.000) 5.994 8.043 ( 0.000 -4.042 0.000) 4.042 8.157 ( 0.000 3.406 0.000) 3.406 8.311 ( 0.000 -0.627 0.000) 0.627 8.474 ( 0.000 -1.387 0.000) 1.387 8.520 ( 0.000 -2.150 0.000) 2.150 8.793 ( 0.000 1.073 0.000) 1.073 8.803 ( 0.000 0.529 0.000) 0.529 9.255 ( 0.000 2.074 0.000) 2.074 9.357 ( 0.000 -1.322 0.000) 1.322======================= Grid point 19 (12/116) =======================q-point: ( 0.12 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( 6.074 22.155 4.494) 23.408 1.215 ( 3.166 25.316 3.676) 25.776 1.817 ( 1.541 -0.425 1.850) 2.445 1.998 ( 5.238 19.793 -1.110) 20.505 2.131 ( -0.516 0.501 -1.205) 1.404 2.305 ( -0.677 -1.458 -2.253) 2.767 2.374 ( 5.505 12.463 1.594) 13.718 2.489 ( -0.422 -11.231 1.762) 11.376 2.611 ( -2.198 -6.293 2.451) 7.102 2.762 ( 0.138 4.367 -2.848) 5.215 2.854 ( -3.721 6.851 -2.825) 8.292 2.971 ( 0.104 -0.520 0.472) 0.710 3.056 ( -2.203 1.616 4.987) 5.687 3.097 ( -0.977 0.185 0.645) 1.185 3.276 ( -0.149 -2.571 -0.654) 2.658 3.339 ( -7.570 2.076 1.038) 7.917 3.504 ( -5.287 -0.878 -4.086) 6.739 3.516 ( 3.480 2.987 -1.326) 4.774 3.755 ( 3.415 0.320 -1.641) 3.803 3.845 ( 2.150 1.316 0.689) 2.614 4.011 ( 1.110 -7.648 1.409) 7.855 4.262 ( 5.899 -10.788 -1.374) 12.372 4.369 ( -2.284 -1.628 -0.732) 2.899 4.719 ( -1.193 -13.451 -0.049) 13.504 6.072 ( -1.321 5.580 -0.437) 5.751 6.259 ( 1.319 1.317 0.398) 1.906 6.327 ( 1.920 2.116 1.070) 3.051 6.442 ( 2.211 -0.915 1.444) 2.795 6.578 ( -6.884 7.282 3.305) 10.552 6.674 ( 0.600 -4.493 2.487) 5.170 6.734 ( -0.243 -4.204 0.742) 4.276 6.919 ( 2.489 -2.332 -0.762) 3.495 7.082 ( 1.772 2.306 -2.458) 3.808 7.151 ( -0.317 0.828 -1.029) 1.358 7.231 ( 3.606 5.335 0.843) 6.495 7.429 ( -1.509 2.164 -0.837) 2.768 7.629 ( -4.356 6.554 -1.972) 8.113 7.754 ( -3.098 -2.515 5.407) 6.720 7.824 ( -1.406 -2.479 -2.693) 3.921 7.948 ( -6.890 -2.650 -0.737) 7.419 8.241 ( 3.995 -0.169 -3.682) 5.436 8.264 ( -1.968 -1.135 -2.045) 3.057 8.500 ( 1.649 -2.113 1.500) 3.071 8.545 ( 2.233 -2.216 1.078) 3.325 8.757 ( -3.056 1.588 1.475) 3.747 8.811 ( -0.018 0.014 1.980) 1.980 9.224 ( -2.256 3.283 -0.648) 4.036 9.352 ( -0.395 -2.043 -1.936) 2.842======================= Grid point 20 (13/116) =======================q-point: ( 0.25 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.285 ( 10.117 15.313 4.256) 18.840 1.392 ( 11.680 17.064 4.376) 21.136 1.857 ( 1.589 0.656 3.382) 3.794 2.048 ( 0.343 4.739 -1.156) 4.890 2.094 ( -3.143 -0.259 -0.845) 3.265 2.282 ( -1.200 -1.300 -2.272) 2.879 2.464 ( -2.107 -8.852 4.684) 10.234 2.508 ( 1.023 -2.590 1.871) 3.355 2.573 ( 1.748 10.714 0.794) 10.884 2.713 ( -4.483 3.930 -7.253) 9.389 2.802 ( -0.497 6.496 1.297) 6.642 2.972 ( -2.364 -0.040 3.297) 4.057 2.982 ( -1.957 -2.105 -2.438) 3.769 3.105 ( -4.055 1.035 1.270) 4.373 3.210 ( 0.425 3.998 4.935) 6.366 3.305 ( 2.149 -3.969 -1.580) 4.782 3.412 ( -1.635 -3.287 -5.037) 6.233 3.612 ( 6.252 5.114 -2.604) 8.486 3.777 ( -0.798 -0.008 -0.596) 0.996 3.881 ( 0.611 1.361 0.445) 1.557 4.039 ( 1.898 -6.499 0.802) 6.818 4.292 ( -5.237 3.157 -0.676) 6.152 4.370 ( 4.475 -8.523 -1.743) 9.783 4.690 ( -1.554 -9.278 -0.262) 9.411 6.054 ( -0.337 5.506 -0.276) 5.523 6.247 ( -1.858 2.364 -1.335) 3.290 6.400 ( 4.127 1.752 2.777) 5.274 6.478 ( -3.768 10.278 4.169) 11.714 6.500 ( 3.178 -0.475 1.416) 3.511 6.693 ( 0.229 -1.979 3.599) 4.114 6.739 ( 0.505 -6.102 0.017) 6.123 6.939 ( -0.235 -3.523 -0.551) 3.574 7.097 ( -0.554 -0.262 -2.402) 2.479 7.163 ( 2.407 1.398 -2.268) 3.591 7.300 ( 1.670 4.713 0.607) 5.037 7.363 ( -2.353 4.881 -2.437) 5.942 7.579 ( -1.135 3.772 1.237) 4.129 7.703 ( -2.467 1.473 5.248) 5.983 7.786 ( -2.128 -1.979 -1.995) 3.525 7.816 ( -5.789 -2.476 -0.973) 6.371 8.137 ( -6.450 0.120 -2.865) 7.058 8.356 ( 5.118 -6.338 -4.700) 9.405 8.522 ( 0.315 -1.727 1.229) 2.143 8.596 ( 2.287 -1.523 0.022) 2.748 8.695 ( -3.509 2.417 2.189) 4.790 8.820 ( 0.276 -1.293 3.302) 3.557 9.191 ( -0.718 3.219 -0.647) 3.361 9.331 ( -1.158 -2.774 -1.959) 3.588======================= Grid point 21 (14/116) =======================q-point: ( 0.38 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( 14.939 4.825 2.254) 15.860 1.623 ( 10.071 12.069 2.869) 15.979 1.885 ( -0.042 1.630 3.918) 4.243 2.013 ( -4.265 -4.059 0.683) 5.927 2.028 ( -2.009 3.239 -1.684) 4.167 2.216 ( -5.837 -0.644 -3.368) 6.769 2.396 ( -2.858 -0.051 1.343) 3.158 2.508 ( -1.440 -8.861 3.923) 9.797 2.610 ( -1.020 0.896 -3.057) 3.345 2.616 ( -1.051 4.212 -2.522) 5.021 2.801 ( -0.864 5.385 2.867) 6.161 2.869 ( -6.234 -3.266 1.647) 7.228 2.984 ( 0.329 0.649 -1.212) 1.414 3.023 ( -1.986 -0.959 1.723) 2.799 3.324 ( 1.761 -5.074 -5.360) 7.588 3.373 ( 10.648 7.311 1.812) 13.043 3.414 ( 1.756 -2.121 -1.599) 3.184 3.722 ( 0.299 -1.597 -2.476) 2.961 3.750 ( 3.437 4.052 1.221) 5.452 3.860 ( -2.734 6.194 2.545) 7.233 4.084 ( 1.954 -2.856 -0.316) 3.475 4.164 ( -6.981 7.201 -1.994) 10.226 4.416 ( 0.756 -7.706 -0.375) 7.752 4.666 ( -0.715 -5.056 -0.403) 5.122 6.054 ( 0.220 4.912 -0.153) 4.919 6.204 ( -1.854 2.851 -1.020) 3.551 6.444 ( -0.802 9.439 2.241) 9.735 6.475 ( 2.313 1.976 1.971) 3.625 6.571 ( 3.753 0.745 1.238) 4.022 6.690 ( -1.475 -0.220 2.003) 2.497 6.750 ( 0.525 -6.659 0.166) 6.682 6.926 ( -0.344 -2.798 -0.447) 2.854 7.046 ( -3.492 1.219 -2.303) 4.357 7.174 ( -0.841 4.096 -1.730) 4.525 7.329 ( 3.630 1.648 -1.140) 4.146 7.385 ( 2.544 2.395 1.043) 3.647 7.548 ( -2.273 1.813 2.222) 3.659 7.686 ( -2.990 -0.185 3.411) 4.539 7.720 ( -2.814 -5.969 -1.818) 6.845 7.770 ( 1.544 1.459 -0.959) 2.331 8.019 ( -4.521 1.613 -1.124) 4.930 8.406 ( 1.072 -8.975 -3.773) 9.795 8.529 ( 0.744 1.076 -0.421) 1.374 8.602 ( -1.790 0.265 0.186) 1.819 8.664 ( 0.132 1.207 1.720) 2.105 8.835 ( 0.360 -2.874 2.363) 3.738 9.190 ( 0.519 2.263 -0.032) 2.322 9.302 ( -1.265 -3.239 -1.330) 3.723======================= Grid point 22 (15/116) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( 0.000 8.193 0.000) 8.193 1.815 ( 0.000 3.665 0.000) 3.665 1.834 ( -0.000 0.692 -0.000) 0.692 1.929 ( -0.000 -6.431 -0.000) 6.431 2.026 ( 0.000 2.463 -0.000) 2.463 2.104 ( 0.000 2.030 0.000) 2.030 2.377 ( -0.000 3.697 -0.000) 3.697 2.487 ( 0.000 -9.108 -0.000) 9.108 2.576 ( 0.000 6.706 0.000) 6.706 2.638 ( 0.000 -5.541 -0.000) 5.541 2.758 ( 0.000 -2.282 0.000) 2.282 2.831 ( -0.000 1.358 -0.000) 1.358 2.984 ( 0.000 2.959 -0.000) 2.959 3.010 ( 0.000 -3.402 -0.000) 3.402 3.331 ( 0.000 -5.973 -0.000) 5.973 3.432 ( 0.000 -1.829 0.000) 1.829 3.536 ( 0.000 6.858 0.000) 6.858 3.660 ( -0.000 -5.620 0.000) 5.620 3.826 ( 0.000 10.111 -0.000) 10.111 3.843 ( -0.000 5.292 -0.000) 5.292 4.045 ( 0.000 11.878 0.000) 11.878 4.119 ( 0.000 -2.824 -0.000) 2.824 4.418 ( 0.000 -7.396 -0.000) 7.396 4.660 ( 0.000 -3.551 0.000) 3.551 6.057 ( 0.000 4.604 -0.000) 4.604 6.183 ( 0.000 2.766 0.000) 2.766 6.441 ( 0.000 9.386 -0.000) 9.386 6.500 ( 0.000 1.604 0.000) 1.604 6.633 ( 0.000 4.498 -0.000) 4.498 6.656 ( 0.000 -3.182 -0.000) 3.182 6.756 ( 0.000 -6.307 0.000) 6.307 6.928 ( 0.000 -3.062 -0.000) 3.062 6.995 ( 0.000 3.079 -0.000) 3.079 7.161 ( 0.000 4.531 0.000) 4.531 7.364 ( 0.000 7.769 0.000) 7.769 7.436 ( 0.000 -7.579 0.000) 7.579 7.528 ( 0.000 1.234 0.000) 1.234 7.637 ( -0.000 1.030 -0.000) 1.030 7.685 ( 0.000 -6.349 0.000) 6.349 7.802 ( -0.000 -1.976 -0.000) 1.976 7.974 ( 0.000 4.936 0.000) 4.936 8.401 ( 0.000 -8.222 -0.000) 8.222 8.545 ( 0.000 1.214 -0.000) 1.214 8.575 ( 0.000 1.040 0.000) 1.040 8.672 ( 0.000 0.408 -0.000) 0.408 8.842 ( 0.000 -3.613 0.000) 3.613 9.199 ( 0.000 1.962 0.000) 1.962 9.285 ( 0.000 -3.545 -0.000) 3.545======================= Grid point 27 (16/116) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.469 ( 0.000 17.468 0.000) 17.468 1.719 ( 0.000 -7.660 0.000) 7.660 1.729 ( 0.000 24.348 0.000) 24.348 2.122 ( 0.000 -9.187 0.000) 9.187 2.161 ( 0.000 2.722 0.000) 2.722 2.237 ( 0.000 -8.924 0.000) 8.924 2.292 ( 0.000 -0.322 0.000) 0.322 2.354 ( 0.000 -7.511 0.000) 7.511 2.798 ( 0.000 17.472 0.000) 17.472 2.896 ( 0.000 3.465 0.000) 3.465 2.973 ( 0.000 2.793 0.000) 2.793 2.974 ( 0.000 1.101 0.000) 1.101 3.087 ( 0.000 -0.120 0.000) 0.120 3.171 ( 0.000 -6.650 0.000) 6.650 3.260 ( 0.000 17.815 0.000) 17.815 3.508 ( 0.000 1.725 0.000) 1.725 3.540 ( 0.000 4.029 0.000) 4.029 3.632 ( 0.000 3.232 0.000) 3.232 3.700 ( 0.000 -2.921 0.000) 2.921 3.745 ( 0.000 -18.907 0.000) 18.907 3.838 ( 0.000 1.446 0.000) 1.446 3.933 ( 0.000 -9.494 0.000) 9.494 4.359 ( 0.000 1.137 0.000) 1.137 4.465 ( 0.000 -9.986 0.000) 9.986 6.194 ( 0.000 4.425 0.000) 4.425 6.244 ( 0.000 -0.407 0.000) 0.407 6.357 ( 0.000 1.800 0.000) 1.800 6.386 ( 0.000 -1.506 0.000) 1.506 6.582 ( 0.000 -2.190 0.000) 2.190 6.594 ( 0.000 -3.238 0.000) 3.238 6.812 ( 0.000 3.868 0.000) 3.868 6.867 ( 0.000 -1.361 0.000) 1.361 7.118 ( 0.000 1.701 0.000) 1.701 7.145 ( 0.000 -1.147 0.000) 1.147 7.339 ( 0.000 7.780 0.000) 7.780 7.441 ( 0.000 -1.886 0.000) 1.886 7.723 ( 0.000 -1.624 0.000) 1.624 7.741 ( 0.000 -3.702 0.000) 3.702 7.819 ( 0.000 6.281 0.000) 6.281 7.941 ( 0.000 -5.958 0.000) 5.958 8.229 ( 0.000 3.575 0.000) 3.575 8.287 ( 0.000 -2.091 0.000) 2.091 8.458 ( 0.000 0.069 0.000) 0.069 8.478 ( 0.000 -1.802 0.000) 1.802 8.811 ( 0.000 0.563 0.000) 0.563 8.813 ( 0.000 0.292 0.000) 0.292 9.294 ( 0.000 1.806 0.000) 1.806 9.328 ( 0.000 -1.624 0.000) 1.624======================= Grid point 28 (17/116) =======================q-point: ( 0.12 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( 4.750 16.439 3.417) 17.450 1.690 ( -2.504 18.442 4.143) 19.067 1.766 ( 3.114 -1.993 1.170) 3.878 2.080 ( -4.226 -10.865 0.983) 11.699 2.152 ( -0.612 3.146 -0.773) 3.297 2.237 ( -0.080 -6.596 0.749) 6.639 2.294 ( -0.000 -1.219 -0.583) 1.351 2.361 ( 0.517 -7.620 0.323) 7.644 2.812 ( 0.414 10.792 -0.104) 10.800 2.866 ( -3.279 2.954 -0.115) 4.415 2.966 ( -0.262 2.718 -1.626) 3.178 2.974 ( -0.052 1.777 -0.124) 1.782 3.062 ( -2.615 2.369 -0.591) 3.578 3.176 ( 0.516 -6.730 -0.984) 6.821 3.276 ( 2.195 18.465 2.879) 18.816 3.394 ( -9.313 3.400 0.073) 9.915 3.471 ( -9.331 -1.729 -2.239) 9.751 3.613 ( 3.714 4.462 -1.704) 6.050 3.696 ( 0.184 -8.005 -1.780) 8.203 3.773 ( 3.928 -13.673 0.486) 14.235 3.914 ( 5.103 4.978 1.370) 7.259 4.052 ( 8.070 -9.088 0.476) 12.163 4.369 ( 0.814 2.209 -0.800) 2.487 4.479 ( 1.352 -9.318 -0.565) 9.433 6.183 ( -0.719 5.248 -0.306) 5.306 6.259 ( 0.622 -1.901 0.383) 2.036 6.378 ( 2.235 2.702 1.614) 3.860 6.419 ( 2.755 -1.363 1.847) 3.586 6.594 ( 1.043 -2.588 0.875) 2.924 6.597 ( 0.416 -2.479 -0.155) 2.518 6.771 ( -3.481 5.776 2.523) 7.200 6.867 ( -0.574 -3.528 1.088) 3.736 7.123 ( 0.484 1.546 -3.081) 3.481 7.147 ( 0.675 -0.906 -1.950) 2.254 7.371 ( 2.766 7.233 0.738) 7.779 7.455 ( 0.690 -0.649 0.883) 1.295 7.696 ( -3.106 -0.740 0.305) 3.208 7.728 ( -1.973 -3.048 -0.011) 3.631 7.772 ( -2.661 4.317 -0.670) 5.115 7.880 ( -4.967 -4.909 0.209) 6.986 8.240 ( 0.650 0.564 -3.704) 3.803 8.256 ( -3.077 -0.566 -3.172) 4.455 8.480 ( 1.863 0.339 1.507) 2.420 8.505 ( 2.527 -1.863 1.200) 3.361 8.786 ( -2.203 1.327 1.371) 2.915 8.806 ( -1.101 -0.594 1.663) 2.081 9.274 ( -1.613 2.114 -0.707) 2.751 9.313 ( -1.193 -1.919 -1.113) 2.519======================= Grid point 29 (18/116) =======================q-point: ( 0.25 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( 2.561 17.331 4.723) 18.145 1.701 ( 4.673 12.792 4.200) 14.252 1.842 ( 3.620 -2.876 3.204) 5.625 1.982 ( -5.757 -11.649 1.787) 13.116 2.139 ( -0.509 4.268 -1.294) 4.489 2.241 ( 0.299 -6.765 0.830) 6.822 2.278 ( -1.455 0.554 -1.073) 1.891 2.371 ( 0.359 -8.014 0.701) 8.053 2.766 ( -6.317 4.517 0.345) 7.774 2.789 ( -2.771 2.611 -1.688) 4.165 2.952 ( -1.998 1.469 1.035) 2.687 2.962 ( -2.911 -0.549 1.071) 3.150 2.985 ( -2.952 6.572 -3.762) 8.127 3.137 ( -6.730 -5.088 -0.748) 8.470 3.238 ( -2.188 3.364 -1.193) 4.186 3.326 ( -1.791 -2.140 -0.555) 2.846 3.396 ( 5.953 11.759 1.141) 13.229 3.649 ( -0.077 -8.089 -0.737) 8.123 3.747 ( 5.681 4.083 -2.320) 7.370 3.873 ( 5.613 -7.393 0.225) 9.285 4.003 ( 3.683 7.419 0.833) 8.324 4.182 ( 4.988 -9.867 -0.167) 11.058 4.373 ( -0.470 5.194 -0.845) 5.283 4.507 ( 1.569 -8.437 -0.826) 8.622 6.170 ( -0.583 5.632 -0.625) 5.696 6.253 ( -1.066 -2.178 -0.745) 2.537 6.449 ( 3.902 2.856 3.357) 5.887 6.486 ( 3.293 -0.764 1.821) 3.840 6.600 ( -0.007 0.297 0.009) 0.298 6.626 ( 1.494 -3.561 0.935) 3.973 6.725 ( -1.554 6.196 4.401) 7.757 6.853 ( -0.964 -5.440 1.828) 5.819 7.116 ( -0.254 2.076 -4.006) 4.519 7.161 ( 1.587 -1.815 -3.135) 3.955 7.406 ( -1.212 5.551 -0.946) 5.760 7.458 ( 0.623 2.440 1.026) 2.720 7.615 ( -4.155 0.768 -0.718) 4.286 7.679 ( -2.999 -4.676 -0.950) 5.636 7.737 ( -1.632 2.699 3.690) 4.855 7.803 ( -2.755 -2.206 1.752) 3.940 8.160 ( -4.854 1.972 -4.145) 6.681 8.228 ( -0.239 -5.340 -4.806) 7.189 8.525 ( 2.183 1.430 0.561) 2.669 8.561 ( 2.530 -1.948 0.097) 3.194 8.743 ( -2.569 2.394 2.120) 4.102 8.787 ( -1.287 -1.988 2.628) 3.538 9.241 ( -1.398 2.075 -0.810) 2.630 9.282 ( -1.571 -2.218 -1.343) 3.032======================= Grid point 30 (19/116) =======================q-point: ( 0.38 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( 4.322 9.478 2.330) 10.674 1.833 ( 5.208 7.646 2.754) 9.653 1.881 ( -3.151 -7.154 2.524) 8.215 1.913 ( 1.439 -1.798 3.480) 4.173 2.118 ( -1.444 5.116 -1.699) 5.580 2.208 ( -3.537 -1.810 -1.400) 4.212 2.284 ( 2.428 -2.547 0.124) 3.521 2.376 ( -0.236 -7.426 1.350) 7.551 2.643 ( -5.272 4.328 -0.794) 6.867 2.722 ( -3.549 -1.230 -0.598) 3.804 2.826 ( -7.119 4.337 -1.002) 8.396 2.911 ( -2.562 0.341 1.788) 3.143 2.962 ( -0.506 1.766 -1.038) 2.110 3.039 ( -2.179 -0.953 -0.814) 2.514 3.232 ( 0.679 -0.816 -2.101) 2.353 3.319 ( 0.412 -6.473 0.484) 6.504 3.526 ( 5.814 6.582 -0.421) 8.792 3.635 ( -1.027 -4.854 -0.441) 4.981 3.866 ( 6.371 5.966 -0.742) 8.760 3.967 ( 3.471 -2.477 1.138) 4.414 4.061 ( 2.331 7.060 -0.543) 7.454 4.242 ( 1.573 -9.138 -1.056) 9.333 4.343 ( -2.258 9.531 0.041) 9.795 4.530 ( 0.881 -8.609 -0.547) 8.672 6.157 ( -0.473 4.953 -0.606) 5.012 6.224 ( -1.427 -1.222 -0.825) 2.052 6.518 ( 2.043 2.257 1.866) 3.571 6.544 ( 1.968 -0.122 1.253) 2.336 6.602 ( 0.562 1.952 0.130) 2.036 6.640 ( -0.136 -3.358 -0.022) 3.361 6.741 ( 1.258 5.283 4.750) 7.215 6.852 ( 0.414 -4.797 1.748) 5.122 7.090 ( -1.294 4.055 -3.251) 5.356 7.198 ( 2.936 -5.020 -1.983) 6.144 7.343 ( -3.164 5.990 -2.816) 7.337 7.472 ( -0.216 -2.671 1.264) 2.963 7.545 ( -2.966 2.298 0.528) 3.789 7.611 ( -3.383 -3.194 1.282) 4.826 7.714 ( -1.917 3.202 1.654) 4.082 7.779 ( -0.268 -1.783 -0.251) 1.821 8.085 ( -1.473 4.949 -1.734) 5.447 8.222 ( 0.443 -8.763 -2.350) 9.083 8.559 ( 1.292 1.706 -0.820) 2.291 8.590 ( 0.490 -1.303 -0.988) 1.707 8.708 ( -1.413 2.932 1.979) 3.809 8.772 ( -0.917 -3.370 1.954) 4.002 9.222 ( -0.396 1.233 -0.313) 1.333 9.251 ( -1.224 -1.913 -0.943) 2.458======================= Grid point 31 (20/116) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( 0.000 -1.112 0.000) 1.112 1.800 ( -0.000 -1.260 -0.000) 1.260 1.906 ( -0.000 4.909 -0.000) 4.909 1.946 ( 0.000 1.255 0.000) 1.255 2.092 ( 0.000 5.120 0.000) 5.120 2.157 ( 0.000 1.932 -0.000) 1.932 2.323 ( 0.000 -4.918 0.000) 4.918 2.370 ( 0.000 -5.051 -0.000) 5.051 2.590 ( 0.000 2.251 0.000) 2.251 2.673 ( 0.000 -5.068 0.000) 5.068 2.752 ( -0.000 9.411 0.000) 9.411 2.887 ( 0.000 -1.354 -0.000) 1.354 2.955 ( 0.000 1.516 -0.000) 1.516 3.021 ( 0.000 -0.746 -0.000) 0.746 3.238 ( 0.000 -1.122 0.000) 1.122 3.325 ( 0.000 -7.661 0.000) 7.661 3.601 ( 0.000 0.964 -0.000) 0.964 3.606 ( -0.000 -0.306 0.000) 0.306 3.943 ( -0.000 4.565 0.000) 4.565 4.001 ( 0.000 2.169 -0.000) 2.169 4.085 ( 0.000 4.397 -0.000) 4.397 4.253 ( -0.000 -9.049 0.000) 9.049 4.312 ( 0.000 13.316 -0.000) 13.316 4.537 ( 0.000 -8.952 0.000) 8.952 6.151 ( 0.000 4.408 -0.000) 4.408 6.207 ( 0.000 -0.751 -0.000) 0.751 6.539 ( 0.000 2.022 0.000) 2.022 6.562 ( 0.000 1.417 -0.000) 1.417 6.617 ( 0.000 -0.515 -0.000) 0.515 6.633 ( -0.000 -2.548 0.000) 2.548 6.766 ( 0.000 5.743 -0.000) 5.743 6.863 ( 0.000 -3.854 -0.000) 3.854 7.067 ( 0.000 5.876 -0.000) 5.876 7.242 ( 0.000 -10.690 0.000) 10.690 7.295 ( 0.000 8.415 0.000) 8.415 7.468 ( -0.000 -8.092 -0.000) 8.092 7.511 ( 0.000 5.755 0.000) 5.755 7.578 ( 0.000 -2.243 -0.000) 2.243 7.693 ( -0.000 4.469 -0.000) 4.469 7.776 ( 0.000 -2.673 -0.000) 2.673 8.077 ( 0.000 5.949 0.000) 5.949 8.224 ( -0.000 -8.805 -0.000) 8.805 8.571 ( 0.000 1.279 -0.000) 1.279 8.588 ( 0.000 -0.156 0.000) 0.156 8.698 ( 0.000 2.478 -0.000) 2.478 8.765 ( 0.000 -3.924 0.000) 3.924 9.220 ( 0.000 0.513 0.000) 0.513 9.235 ( -0.000 -1.428 -0.000) 1.428======================= Grid point 63 (21/116) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.532 ( 1.014 0.000 24.629) 24.650 0.600 ( -1.713 0.000 27.417) 27.470 0.987 ( -0.616 0.000 44.440) 44.445 1.848 ( 0.929 0.000 4.842) 4.931 2.153 ( -1.421 0.000 -4.453) 4.674 2.268 ( -1.945 0.000 -5.769) 6.088 2.278 ( 0.793 0.000 1.694) 1.871 2.588 ( 0.208 0.000 -4.711) 4.715 2.738 ( -4.154 0.000 -2.750) 4.982 2.751 ( 3.003 0.000 1.480) 3.348 2.906 ( 1.935 0.000 2.258) 2.974 2.975 ( 4.162 0.000 1.142) 4.315 3.140 ( 0.804 0.000 0.706) 1.070 3.154 ( 1.807 0.000 -2.166) 2.821 3.188 ( 1.681 0.000 -0.791) 1.858 3.433 ( -1.913 0.000 0.044) 1.913 3.462 ( -1.470 0.000 8.715) 8.838 3.598 ( 0.656 0.000 -2.269) 2.362 3.635 ( -2.499 0.000 -1.534) 2.932 3.683 ( -1.590 0.000 1.494) 2.182 4.115 ( 1.062 0.000 -1.018) 1.471 4.436 ( -3.328 0.000 -4.142) 5.314 4.454 ( 1.500 0.000 -3.702) 3.995 5.043 ( 0.137 0.000 -7.205) 7.207 5.976 ( -1.728 0.000 2.589) 3.113 6.253 ( -0.848 0.000 0.434) 0.953 6.302 ( 0.427 0.000 6.710) 6.723 6.497 ( 4.324 0.000 7.775) 8.897 6.522 ( 20.137 0.000 3.206) 20.390 6.721 ( -0.919 0.000 -3.645) 3.759 6.820 ( -9.522 0.000 4.505) 10.534 6.968 ( 4.462 0.000 0.170) 4.466 7.033 ( -0.361 0.000 -2.630) 2.655 7.079 ( 0.387 0.000 -3.098) 3.122 7.103 ( 0.846 0.000 1.091) 1.381 7.352 ( -1.990 0.000 -4.615) 5.026 7.472 ( -4.463 0.000 -2.829) 5.284 7.800 ( -1.695 0.000 -2.187) 2.767 8.072 ( -4.235 0.000 5.705) 7.105 8.085 ( -0.779 0.000 -3.027) 3.126 8.279 ( -1.042 0.000 -3.092) 3.263 8.308 ( 0.270 0.000 2.380) 2.395 8.476 ( 5.081 0.000 1.969) 5.449 8.514 ( 2.254 0.000 -0.520) 2.313 8.743 ( 0.701 0.000 -1.912) 2.037 8.798 ( 3.158 0.000 0.380) 3.181 8.951 ( 0.498 0.000 -0.648) 0.817 9.186 ( -4.013 0.000 -1.199) 4.189======================= Grid point 64 (22/116) =======================q-point: ( 0.12 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.721 ( 12.922 0.000 18.328) 22.425 0.850 ( 17.304 0.000 19.610) 26.153 1.340 ( 21.180 0.000 30.047) 36.762 1.897 ( 2.595 0.000 8.643) 9.024 2.093 ( -3.376 0.000 -5.023) 6.052 2.215 ( -1.399 0.000 -6.407) 6.558 2.296 ( 0.675 0.000 1.315) 1.478 2.552 ( -2.413 0.000 -4.101) 4.758 2.595 ( -8.686 0.000 -1.012) 8.745 2.806 ( 2.041 0.000 4.231) 4.697 2.911 ( -0.245 0.000 1.753) 1.770 3.078 ( 6.064 0.000 1.890) 6.351 3.102 ( -4.032 0.000 -1.375) 4.260 3.218 ( 3.915 0.000 -0.198) 3.920 3.256 ( 4.771 0.000 0.422) 4.789 3.332 ( -7.190 0.000 -1.162) 7.283 3.388 ( -7.709 0.000 8.636) 11.576 3.627 ( -3.128 0.000 -0.023) 3.128 3.632 ( 1.908 0.000 0.076) 1.910 3.724 ( 6.025 0.000 -7.482) 9.607 4.144 ( 1.558 0.000 -1.184) 1.956 4.392 ( 0.988 0.000 -7.437) 7.502 4.402 ( -6.008 0.000 -2.535) 6.521 4.976 ( -4.767 0.000 -5.758) 7.475 5.969 ( 0.469 0.000 1.543) 1.613 6.224 ( -2.743 0.000 3.955) 4.813 6.345 ( 1.536 0.000 4.152) 4.427 6.515 ( -2.423 0.000 6.134) 6.596 6.590 ( -7.263 0.000 14.890) 16.567 6.700 ( -0.009 0.000 -3.265) 3.265 6.889 ( 9.166 0.000 -4.881) 10.385 7.020 ( 0.158 0.000 -1.108) 1.119 7.033 ( 0.898 0.000 -2.476) 2.634 7.108 ( 2.509 0.000 -1.924) 3.162 7.187 ( 7.358 0.000 1.159) 7.449 7.233 ( -8.351 0.000 -7.384) 11.147 7.400 ( 0.015 0.000 -0.124) 0.125 7.630 ( -11.478 0.000 9.249) 14.741 7.955 ( -2.338 0.000 8.542) 8.856 7.973 ( -7.730 0.000 -4.810) 9.105 8.229 ( -3.153 0.000 -3.563) 4.758 8.392 ( 5.394 0.000 2.317) 5.871 8.550 ( 1.745 0.000 -2.608) 3.138 8.599 ( 1.711 0.000 -6.271) 6.500 8.765 ( -1.190 0.000 0.872) 1.475 8.874 ( 3.432 0.000 4.480) 5.643 8.981 ( 2.774 0.000 -1.018) 2.955 9.212 ( 5.637 0.000 -9.400) 10.961======================= Grid point 65 (23/116) =======================q-point: ( 0.25 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( 18.761 0.000 11.190) 21.845 1.260 ( 19.103 0.000 12.227) 22.680 1.769 ( 13.638 0.000 4.939) 14.505 1.998 ( -5.101 0.000 -4.923) 7.089 2.031 ( 6.666 0.000 14.992) 16.407 2.210 ( 6.183 0.000 -0.773) 6.231 2.315 ( 1.145 0.000 1.493) 1.882 2.426 ( -8.287 0.000 0.635) 8.311 2.488 ( -2.878 0.000 -3.208) 4.310 2.852 ( 0.859 0.000 4.164) 4.251 2.912 ( -0.128 0.000 0.969) 0.977 2.972 ( -8.081 0.000 -2.244) 8.387 3.161 ( -8.663 0.000 4.332) 9.686 3.220 ( 6.912 0.000 3.714) 7.846 3.248 ( -7.678 0.000 6.269) 9.912 3.317 ( 4.243 0.000 -1.023) 4.365 3.341 ( 3.022 0.000 -1.445) 3.350 3.574 ( -0.777 0.000 -0.267) 0.821 3.652 ( 0.141 0.000 0.186) 0.233 3.777 ( 1.652 0.000 -8.356) 8.517 4.154 ( 0.235 0.000 -2.519) 2.530 4.217 ( -12.224 0.000 -1.550) 12.322 4.432 ( 4.305 0.000 -7.175) 8.368 4.845 ( -6.765 0.000 -5.066) 8.451 6.000 ( 2.256 0.000 0.833) 2.405 6.161 ( -4.879 0.000 6.041) 7.765 6.348 ( -3.417 0.000 8.602) 9.256 6.465 ( -0.505 0.000 2.090) 2.150 6.590 ( 0.126 0.000 12.054) 12.055 6.705 ( 1.261 0.000 -2.746) 3.022 6.985 ( -3.475 0.000 -2.890) 4.520 6.998 ( 4.357 0.000 -3.139) 5.370 7.042 ( 0.412 0.000 -2.145) 2.184 7.068 ( -4.729 0.000 -4.695) 6.664 7.106 ( -2.081 0.000 -2.949) 3.610 7.361 ( 9.627 0.000 0.597) 9.645 7.482 ( 6.738 0.000 2.810) 7.300 7.503 ( -4.999 0.000 9.576) 10.802 7.805 ( -7.416 0.000 -6.546) 9.892 7.946 ( -1.630 0.000 5.735) 5.962 8.143 ( -4.628 0.000 -2.745) 5.381 8.476 ( 2.470 0.000 0.427) 2.507 8.566 ( -2.986 0.000 -4.812) 5.663 8.581 ( 2.609 0.000 -3.183) 4.115 8.716 ( -2.987 0.000 3.028) 4.253 8.930 ( 1.062 0.000 3.506) 3.663 9.044 ( 3.425 0.000 0.165) 3.429 9.277 ( 3.577 0.000 -9.992) 10.613======================= Grid point 66 (24/116) =======================q-point: ( 0.38 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( 13.837 0.000 8.231) 16.100 1.608 ( 13.075 0.000 7.966) 15.310 1.880 ( -5.403 0.000 -3.122) 6.240 1.939 ( 7.328 0.000 -0.233) 7.332 2.005 ( -7.026 0.000 -1.977) 7.299 2.298 ( -4.356 0.000 2.608) 5.077 2.350 ( 1.536 0.000 1.427) 2.096 2.443 ( -0.092 0.000 -2.618) 2.619 2.592 ( 22.991 0.000 12.311) 26.080 2.751 ( -8.162 0.000 -5.039) 9.593 2.896 ( -3.685 0.000 3.724) 5.239 2.907 ( -0.726 0.000 0.085) 0.731 3.028 ( -5.918 0.000 8.235) 10.141 3.147 ( -3.027 0.000 5.502) 6.280 3.230 ( -8.389 0.000 2.702) 8.814 3.389 ( 2.966 0.000 -1.000) 3.130 3.408 ( 4.982 0.000 -2.112) 5.411 3.642 ( 7.059 0.000 0.933) 7.121 3.648 ( -0.206 0.000 -0.673) 0.704 3.748 ( -2.447 0.000 -8.253) 8.608 3.958 ( -12.436 0.000 -0.457) 12.445 4.154 ( 0.677 0.000 -2.961) 3.038 4.494 ( 3.523 0.000 -5.048) 6.156 4.711 ( -5.142 0.000 -4.479) 6.819 6.051 ( 2.585 0.000 0.837) 2.718 6.085 ( -4.456 0.000 6.590) 7.955 6.293 ( -3.871 0.000 7.514) 8.452 6.482 ( 1.282 0.000 -0.890) 1.561 6.616 ( -1.063 0.000 11.722) 11.770 6.725 ( 1.345 0.000 -2.638) 2.961 6.909 ( -2.173 0.000 -0.748) 2.298 7.013 ( -1.045 0.000 -4.548) 4.666 7.032 ( -0.816 0.000 -0.322) 0.877 7.060 ( -1.207 0.000 -1.594) 1.999 7.061 ( 3.103 0.000 -4.489) 5.457 7.460 ( -2.259 0.000 8.146) 8.453 7.539 ( 8.045 0.000 -0.616) 8.069 7.579 ( -1.040 0.000 -1.233) 1.613 7.709 ( 2.246 0.000 -4.279) 4.832 7.902 ( -4.613 0.000 3.952) 6.074 8.050 ( -3.812 0.000 -0.957) 3.931 8.488 ( -3.064 0.000 -1.730) 3.519 8.499 ( 0.601 0.000 -1.638) 1.744 8.625 ( 2.156 0.000 -2.109) 3.016 8.691 ( -0.339 0.000 2.648) 2.669 8.938 ( -0.656 0.000 0.716) 0.971 9.094 ( 1.391 0.000 0.795) 1.602 9.306 ( 2.195 0.000 -7.916) 8.215======================= Grid point 67 (25/116) =======================q-point: (-0.50 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.567 ( -4.714 0.000 4.490) 6.510 1.697 ( -6.041 0.000 1.327) 6.185 1.853 ( -4.699 0.000 -2.278) 5.222 1.870 ( 5.378 0.000 2.878) 6.099 2.135 ( 11.509 0.000 6.202) 13.073 2.251 ( -1.982 0.000 2.102) 2.890 2.345 ( -1.585 0.000 -1.147) 1.956 2.493 ( 3.317 0.000 -2.836) 4.364 2.644 ( 0.230 0.000 -0.140) 0.269 2.771 ( -7.823 0.000 1.440) 7.955 2.854 ( -8.786 0.000 -0.574) 8.805 2.951 ( -3.390 0.000 1.491) 3.703 2.979 ( -0.955 0.000 3.507) 3.634 3.068 ( 8.080 0.000 8.203) 11.514 3.175 ( 2.429 0.000 9.054) 9.375 3.422 ( 0.860 0.000 -0.689) 1.102 3.434 ( -1.259 0.000 -3.451) 3.674 3.621 ( -5.753 0.000 -6.097) 8.383 3.647 ( 0.302 0.000 -1.227) 1.264 3.822 ( 4.908 0.000 1.184) 5.049 3.826 ( 3.345 0.000 -0.772) 3.433 4.159 ( 0.442 0.000 -2.654) 2.690 4.540 ( 2.397 0.000 -2.822) 3.703 4.648 ( 0.385 0.000 -4.815) 4.830 6.030 ( -2.921 0.000 5.987) 6.661 6.093 ( 1.183 0.000 1.723) 2.090 6.246 ( -2.687 0.000 5.004) 5.680 6.497 ( 0.385 0.000 -0.949) 1.025 6.603 ( -3.398 0.000 10.837) 11.357 6.735 ( 0.266 0.000 -2.445) 2.460 6.910 ( 1.712 0.000 0.466) 1.774 6.991 ( 0.484 0.000 -4.207) 4.234 7.008 ( -1.270 0.000 -1.108) 1.685 7.072 ( 2.727 0.000 0.670) 2.808 7.098 ( 1.835 0.000 -3.981) 4.384 7.448 ( -1.451 0.000 8.227) 8.354 7.491 ( -4.420 0.000 -7.194) 8.443 7.636 ( 1.430 0.000 -5.805) 5.978 7.777 ( 2.330 0.000 -0.711) 2.436 7.802 ( -5.172 0.000 4.971) 7.174 8.030 ( 2.490 0.000 1.142) 2.740 8.467 ( 1.129 0.000 0.315) 1.172 8.502 ( 0.259 0.000 -1.861) 1.879 8.643 ( 0.254 0.000 -2.356) 2.370 8.712 ( 1.526 0.000 3.360) 3.690 8.909 ( -2.230 0.000 -1.221) 2.543 9.100 ( -0.910 0.000 0.064) 0.912 9.326 ( 1.888 0.000 -6.300) 6.576======================= Grid point 68 (26/116) =======================q-point: (-0.38 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.335 ( -17.335 0.000 3.706) 17.727 1.511 ( -13.847 0.000 3.894) 14.384 1.809 ( -1.852 0.000 0.210) 1.864 1.982 ( 5.746 0.000 0.477) 5.765 2.173 ( -11.141 0.000 6.022) 12.664 2.305 ( -1.976 0.000 -0.906) 2.174 2.347 ( 4.203 0.000 4.002) 5.804 2.498 ( -0.095 0.000 -2.510) 2.512 2.538 ( -10.838 0.000 5.755) 12.271 2.656 ( -2.533 0.000 -3.925) 4.671 2.765 ( 7.822 0.000 4.691) 9.121 2.885 ( -2.178 0.000 -0.309) 2.199 3.024 ( 5.262 0.000 0.607) 5.297 3.171 ( -3.581 0.000 -0.723) 3.653 3.235 ( 0.564 0.000 7.880) 7.901 3.413 ( -2.773 0.000 -3.443) 4.421 3.432 ( 0.545 0.000 1.488) 1.584 3.570 ( 3.226 0.000 0.109) 3.228 3.649 ( 0.195 0.000 -1.366) 1.379 3.882 ( 6.650 0.000 -3.051) 7.316 3.988 ( 7.646 0.000 0.331) 7.653 4.153 ( -0.358 0.000 -2.587) 2.612 4.570 ( 1.090 0.000 -0.998) 1.478 4.706 ( 6.803 0.000 -5.977) 9.056 6.002 ( -1.669 0.000 5.391) 5.644 6.101 ( -1.130 0.000 3.039) 3.242 6.219 ( -1.106 0.000 3.167) 3.354 6.492 ( -0.585 0.000 -0.454) 0.741 6.543 ( -5.612 0.000 9.467) 11.005 6.725 ( -0.424 0.000 -2.244) 2.284 6.936 ( 0.956 0.000 -4.941) 5.032 6.982 ( -0.957 0.000 -1.729) 1.976 7.036 ( 4.465 0.000 -0.091) 4.466 7.111 ( 0.513 0.000 -3.020) 3.063 7.166 ( 6.271 0.000 3.809) 7.337 7.392 ( -3.609 0.000 -6.713) 7.622 7.420 ( -4.950 0.000 4.324) 6.573 7.567 ( -3.237 0.000 -1.023) 3.395 7.782 ( 0.421 0.000 3.426) 3.452 7.812 ( 2.751 0.000 -0.008) 2.751 8.125 ( 5.799 0.000 0.758) 5.848 8.496 ( -0.752 0.000 -1.187) 1.405 8.515 ( 3.225 0.000 -0.076) 3.225 8.620 ( -1.754 0.000 -3.613) 4.016 8.760 ( 2.189 0.000 4.033) 4.589 8.849 ( -3.394 0.000 -2.141) 4.013 9.065 ( -2.328 0.000 -1.031) 2.546 9.345 ( 1.679 0.000 -5.490) 5.741======================= Grid point 69 (27/116) =======================q-point: (-0.25 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.974 ( -20.685 0.000 5.814) 21.486 1.185 ( -21.163 0.000 9.480) 23.189 1.641 ( -23.919 0.000 14.280) 27.858 1.885 ( -8.008 0.000 5.564) 9.751 2.095 ( 5.686 0.000 -1.961) 6.014 2.271 ( -1.342 0.000 0.374) 1.393 2.317 ( -1.133 0.000 -2.314) 2.577 2.511 ( 2.456 0.000 -3.062) 3.925 2.625 ( 6.729 0.000 8.857) 11.123 2.644 ( 1.773 0.000 -4.035) 4.407 2.843 ( -1.942 0.000 -0.685) 2.060 2.922 ( 7.455 0.000 1.090) 7.534 3.063 ( -5.413 0.000 -2.593) 6.002 3.168 ( 7.656 0.000 1.674) 7.837 3.233 ( -1.101 0.000 3.557) 3.724 3.304 ( -5.777 0.000 -3.521) 6.765 3.454 ( 0.473 0.000 5.258) 5.279 3.643 ( 2.456 0.000 3.054) 3.919 3.643 ( -0.449 0.000 -1.708) 1.766 3.956 ( 0.207 0.000 -4.968) 4.972 4.135 ( -0.722 0.000 -2.420) 2.526 4.174 ( 11.880 0.000 -3.912) 12.508 4.568 ( -1.321 0.000 -0.272) 1.349 4.851 ( 9.122 0.000 -6.623) 11.273 5.998 ( 0.063 0.000 6.966) 6.966 6.069 ( -2.941 0.000 3.827) 4.827 6.220 ( 0.426 0.000 1.700) 1.753 6.443 ( -6.701 0.000 8.159) 10.558 6.480 ( -0.708 0.000 1.010) 1.233 6.719 ( 0.620 0.000 -1.659) 1.771 6.927 ( -0.087 0.000 -7.109) 7.110 6.964 ( -0.524 0.000 -1.921) 1.991 7.101 ( 1.279 0.000 -1.510) 1.979 7.103 ( -0.576 0.000 -1.901) 1.987 7.276 ( -8.423 0.000 -1.373) 8.534 7.325 ( 7.885 0.000 4.361) 9.011 7.344 ( 1.133 0.000 -2.325) 2.587 7.584 ( 2.973 0.000 9.079) 9.554 7.806 ( 1.301 0.000 2.341) 2.678 7.899 ( 5.915 0.000 -0.067) 5.916 8.231 ( 4.770 0.000 -0.331) 4.781 8.453 ( -3.709 0.000 -0.676) 3.770 8.562 ( -2.970 0.000 -3.995) 4.978 8.572 ( 2.424 0.000 -1.333) 2.766 8.782 ( -2.308 0.000 -2.572) 3.455 8.803 ( 0.788 0.000 2.828) 2.936 9.012 ( -2.584 0.000 -1.599) 3.039 9.354 ( 0.486 0.000 -5.899) 5.919======================= Grid point 70 (28/116) =======================q-point: (-0.12 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.617 ( -16.416 0.000 14.436) 21.861 0.794 ( -21.088 0.000 18.424) 28.002 1.175 ( -25.613 0.000 34.195) 42.724 1.837 ( -0.941 0.000 3.143) 3.280 2.164 ( 1.815 0.000 -3.661) 4.086 2.261 ( 0.115 0.000 1.782) 1.786 2.299 ( -0.196 0.000 -3.956) 3.961 2.565 ( 3.326 0.000 -4.502) 5.598 2.687 ( 3.290 0.000 -1.618) 3.666 2.742 ( 3.044 0.000 4.641) 5.550 2.825 ( 0.985 0.000 2.690) 2.865 2.976 ( -2.793 0.000 -1.060) 2.987 3.057 ( 6.411 0.000 -2.045) 6.729 3.175 ( -2.376 0.000 1.782) 2.970 3.206 ( -3.000 0.000 -2.459) 3.879 3.352 ( 7.392 0.000 2.707) 7.872 3.468 ( -0.745 0.000 6.242) 6.286 3.621 ( -1.287 0.000 -2.334) 2.666 3.680 ( 0.649 0.000 2.509) 2.592 3.849 ( -9.608 0.000 -10.571) 14.285 4.116 ( -0.544 0.000 -1.688) 1.773 4.367 ( 8.402 0.000 -4.525) 9.543 4.516 ( -3.649 0.000 -1.232) 3.852 4.993 ( 6.725 0.000 -7.336) 9.952 6.017 ( -3.164 0.000 3.545) 4.751 6.094 ( 9.765 0.000 14.588) 17.555 6.241 ( 1.412 0.000 0.376) 1.461 6.342 ( -5.428 0.000 8.355) 9.963 6.480 ( 0.181 0.000 3.250) 3.255 6.734 ( 0.722 0.000 -1.993) 2.120 6.913 ( 1.201 0.000 -4.848) 4.994 6.940 ( -2.418 0.000 -1.140) 2.674 7.071 ( -2.425 0.000 -2.391) 3.405 7.092 ( -0.701 0.000 -2.457) 2.555 7.136 ( -4.647 0.000 -0.130) 4.649 7.364 ( 1.338 0.000 -2.507) 2.842 7.479 ( 4.558 0.000 1.780) 4.894 7.724 ( 8.394 0.000 7.143) 11.022 7.864 ( 5.508 0.000 8.158) 9.843 8.019 ( 6.061 0.000 -0.950) 6.135 8.291 ( 1.217 0.000 -1.753) 2.134 8.364 ( -4.672 0.000 0.635) 4.715 8.501 ( -1.479 0.000 -2.234) 2.679 8.580 ( -2.389 0.000 -2.418) 3.399 8.761 ( 0.827 0.000 -2.330) 2.473 8.787 ( -2.892 0.000 -1.023) 3.067 8.965 ( -1.655 0.000 -1.218) 2.055 9.310 ( -4.171 0.000 -6.722) 7.911======================= Grid point 71 (29/116) =======================q-point: ( 0.00 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.778 ( 4.187 22.159 14.852) 27.003 0.829 ( 0.664 17.823 19.923) 26.741 1.385 ( -3.159 32.794 26.984) 42.586 1.849 ( 1.003 0.209 4.687) 4.798 2.121 ( -1.361 -2.547 -4.172) 5.074 2.245 ( -0.314 0.190 -2.550) 2.576 2.325 ( -0.665 2.402 0.345) 2.516 2.607 ( 1.206 -0.018 -4.455) 4.616 2.688 ( 1.631 -2.522 1.251) 3.254 2.759 ( -1.699 0.016 -1.397) 2.200 2.847 ( -0.712 -3.685 1.135) 3.921 2.965 ( 3.248 -1.150 1.361) 3.705 3.030 ( 0.952 -4.904 -1.447) 5.201 3.162 ( 3.823 -0.367 -0.410) 3.863 3.260 ( -0.158 3.001 -1.826) 3.517 3.438 ( -1.787 0.766 0.091) 1.947 3.480 ( -2.217 1.501 8.098) 8.529 3.606 ( -1.259 -1.217 -0.271) 1.772 3.659 ( -2.190 1.693 -1.391) 3.097 3.725 ( 0.662 4.351 -1.492) 4.647 4.092 ( 1.032 -2.439 -0.154) 2.653 4.361 ( -1.857 -6.590 -3.867) 7.863 4.438 ( -0.182 -2.330 -2.582) 3.482 4.935 ( 0.858 -9.183 -5.302) 10.639 6.046 ( -2.343 5.194 2.937) 6.410 6.273 ( -1.036 1.824 0.987) 2.318 6.309 ( 1.395 0.247 7.062) 7.202 6.491 ( 1.161 -0.845 5.730) 5.908 6.582 ( 12.653 5.108 1.059) 13.686 6.730 ( 0.599 -0.827 -2.601) 2.794 6.791 ( -2.241 -2.113 2.671) 4.077 6.944 ( -1.663 -3.250 0.836) 3.745 7.012 ( -0.920 1.413 -0.682) 1.819 7.116 ( 0.540 1.996 -0.102) 2.070 7.171 ( 1.509 3.347 1.292) 3.893 7.358 ( -1.343 0.880 -4.510) 4.787 7.501 ( -3.787 4.353 -4.458) 7.291 7.796 ( 1.207 -1.048 -1.661) 2.305 8.018 ( 0.613 -4.709 3.829) 6.100 8.080 ( -1.402 -1.324 -1.299) 2.325 8.177 ( -4.547 -3.700 5.196) 7.834 8.272 ( -1.198 -0.710 -3.759) 4.009 8.494 ( 2.537 -0.681 -0.716) 2.723 8.543 ( 1.301 -0.110 -0.699) 1.481 8.750 ( 2.183 0.949 -2.008) 3.114 8.798 ( 3.129 0.072 0.422) 3.158 9.127 ( 2.246 8.928 -10.354) 13.855 9.206 ( -4.774 1.935 -1.983) 5.520======================= Grid point 72 (30/116) =======================q-point: ( 0.12 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.923 ( 7.246 18.002 14.402) 24.166 1.002 ( 12.076 14.049 16.306) 24.680 1.606 ( 15.294 22.099 17.717) 32.190 1.907 ( 3.464 1.377 9.556) 10.257 2.071 ( -2.355 -1.370 -4.949) 5.649 2.228 ( -0.598 0.914 -4.707) 4.832 2.320 ( 0.485 2.805 1.748) 3.340 2.579 ( -2.608 2.122 -4.764) 5.831 2.644 ( -6.202 4.318 -0.174) 7.559 2.752 ( 1.258 -5.110 3.424) 6.279 2.838 ( -0.550 -6.703 0.355) 6.734 3.014 ( -0.409 -5.320 0.192) 5.339 3.078 ( 5.472 0.327 0.448) 5.500 3.212 ( -0.005 -2.416 2.015) 3.146 3.249 ( 0.353 -0.001 -2.051) 2.081 3.373 ( -3.029 1.968 0.722) 3.684 3.398 ( -7.556 1.973 4.542) 9.034 3.568 ( -2.482 -3.483 0.941) 4.380 3.685 ( 2.559 2.311 -1.183) 3.645 3.758 ( 3.016 3.905 -3.314) 5.944 4.123 ( 1.418 -2.226 -0.412) 2.672 4.338 ( 1.391 -4.925 -6.378) 8.177 4.390 ( -4.110 -1.596 -2.238) 4.944 4.897 ( -3.241 -7.580 -4.772) 9.526 6.015 ( -1.143 4.303 2.537) 5.124 6.245 ( -2.365 1.965 3.030) 4.317 6.376 ( 3.203 1.794 4.138) 5.531 6.529 ( 0.420 0.736 6.855) 6.908 6.602 ( -6.360 1.991 9.189) 11.351 6.734 ( -2.133 2.650 0.264) 3.412 6.821 ( 4.850 -5.440 -3.525) 8.096 6.946 ( 1.397 -2.248 0.619) 2.718 7.057 ( 4.205 -0.862 -0.618) 4.337 7.139 ( 0.472 1.610 -0.630) 1.792 7.209 ( 2.221 0.311 1.931) 2.960 7.273 ( -5.788 2.832 -6.705) 9.300 7.435 ( 0.904 6.164 -2.769) 6.818 7.724 ( -8.025 5.788 0.842) 9.931 7.922 ( -4.481 -2.218 4.923) 7.017 7.978 ( -6.203 -0.742 -0.635) 6.280 8.195 ( -3.061 -3.079 -3.808) 5.775 8.300 ( 6.942 -6.356 0.712) 9.439 8.535 ( 1.661 -1.421 -2.567) 3.371 8.581 ( 1.432 -1.396 -2.080) 2.886 8.760 ( -1.069 0.212 0.787) 1.345 8.872 ( 3.210 -0.245 4.053) 5.176 9.081 ( -1.482 6.469 -3.815) 7.655 9.218 ( 3.951 0.560 -9.060) 9.900======================= Grid point 73 (31/116) =======================q-point: ( 0.25 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.185 ( 15.816 9.313 9.778) 20.797 1.312 ( 14.761 6.965 11.911) 20.206 1.856 ( 6.565 5.990 1.233) 8.972 1.984 ( -3.444 -0.280 -0.752) 3.536 2.069 ( 4.175 2.117 6.245) 7.805 2.208 ( 0.870 0.289 -3.022) 3.157 2.388 ( 5.365 7.306 5.560) 10.634 2.501 ( -2.515 5.585 -0.416) 6.139 2.518 ( -5.029 4.189 -0.780) 6.592 2.795 ( 0.154 -4.383 1.398) 4.604 2.815 ( -0.544 -9.087 3.108) 9.619 2.974 ( -2.969 -0.692 -1.281) 3.307 3.112 ( -8.578 -3.872 3.281) 9.967 3.182 ( 0.126 -2.370 3.728) 4.419 3.270 ( 0.399 1.905 3.954) 4.407 3.293 ( -0.096 -2.388 -1.600) 2.876 3.357 ( 0.690 0.277 -1.979) 2.114 3.557 ( 2.517 -0.180 0.532) 2.579 3.707 ( -0.013 3.099 -0.964) 3.245 3.797 ( 1.736 2.895 -4.779) 5.851 4.133 ( 0.345 -2.168 -1.733) 2.797 4.227 ( -10.326 1.037 -1.279) 10.457 4.409 ( 4.774 -2.407 -5.909) 7.969 4.798 ( -5.329 -4.782 -4.196) 8.299 6.019 ( 0.755 2.480 2.575) 3.654 6.194 ( -3.673 2.661 3.456) 5.702 6.424 ( -1.221 5.959 6.254) 8.724 6.498 ( -1.594 3.263 5.219) 6.358 6.585 ( 0.147 -0.229 9.920) 9.923 6.713 ( -0.129 1.085 -1.298) 1.697 6.864 ( 1.413 -7.151 -2.615) 7.744 6.968 ( -0.091 -2.439 -0.071) 2.442 7.062 ( -3.969 1.725 -4.059) 5.933 7.126 ( -1.147 2.629 0.355) 2.890 7.172 ( -0.361 4.749 -4.579) 6.607 7.308 ( 6.695 -3.991 2.230) 8.107 7.522 ( 6.651 5.503 -0.494) 8.646 7.597 ( -4.706 5.774 4.759) 8.839 7.799 ( -6.606 -1.029 -5.881) 8.904 7.918 ( -2.842 -2.437 5.201) 6.408 8.110 ( -4.386 -3.002 -2.340) 5.807 8.410 ( 4.024 -5.836 -0.862) 7.141 8.540 ( -1.186 -1.813 -3.809) 4.382 8.584 ( 0.892 -0.160 -2.675) 2.824 8.725 ( -2.488 0.827 3.305) 4.219 8.923 ( 0.740 -0.915 3.735) 3.916 9.085 ( 2.013 3.374 -1.679) 4.273 9.257 ( 2.563 -1.695 -9.186) 9.686======================= Grid point 74 (32/116) =======================q-point: ( 0.38 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( 12.889 6.902 7.072) 16.241 1.605 ( 13.170 0.259 6.890) 14.866 1.879 ( -5.290 1.034 -3.011) 6.174 1.965 ( 5.150 1.815 2.353) 5.946 2.029 ( -6.033 1.859 -3.539) 7.238 2.248 ( 1.411 -6.461 2.977) 7.253 2.342 ( -4.735 4.060 1.628) 6.446 2.450 ( -1.579 1.223 -2.656) 3.323 2.632 ( 0.695 -3.483 -1.273) 3.773 2.779 ( 5.145 5.028 6.681) 9.817 2.863 ( 0.284 -4.666 5.400) 7.142 2.922 ( -0.917 0.179 0.489) 1.054 2.955 ( -7.042 -2.577 2.125) 7.794 3.112 ( -3.985 -2.283 5.052) 6.827 3.251 ( -0.923 0.023 -0.522) 1.060 3.380 ( 4.301 -1.428 -0.644) 4.577 3.395 ( 3.305 0.724 -0.894) 3.500 3.657 ( 5.066 1.513 -0.089) 5.288 3.697 ( 1.459 3.532 -0.946) 3.936 3.797 ( -0.406 4.179 -4.016) 5.810 3.985 ( -13.581 3.725 -0.289) 14.085 4.144 ( 1.072 -1.275 -1.516) 2.252 4.473 ( 2.974 -2.278 -4.294) 5.698 4.693 ( -3.764 -1.863 -3.879) 5.718 6.047 ( 0.757 1.115 3.897) 4.123 6.139 ( -2.360 3.676 2.568) 5.067 6.375 ( -4.176 7.582 7.678) 11.570 6.521 ( 1.517 3.546 -0.130) 3.859 6.603 ( -1.186 -0.781 9.362) 9.469 6.716 ( 0.393 -0.945 -0.651) 1.213 6.875 ( 0.528 -6.361 -2.520) 6.863 6.948 ( -0.938 1.097 1.252) 1.911 6.990 ( -1.806 -1.745 -2.466) 3.520 7.113 ( -0.517 2.674 0.932) 2.879 7.163 ( 0.655 6.202 -5.417) 8.260 7.451 ( 5.842 -4.370 2.324) 7.656 7.534 ( -1.534 4.074 2.618) 5.080 7.610 ( -2.270 2.086 -3.995) 5.046 7.741 ( 5.279 1.710 -2.151) 5.952 7.854 ( -4.622 -4.451 3.353) 7.240 8.019 ( -4.885 -2.379 -0.093) 5.435 8.461 ( 2.078 -4.257 -2.001) 5.143 8.489 ( -1.828 0.207 -1.923) 2.661 8.606 ( 1.415 -1.236 -2.374) 3.028 8.696 ( -1.367 0.656 3.343) 3.671 8.925 ( -1.024 -1.573 1.138) 2.195 9.120 ( 1.441 2.154 -0.853) 2.728 9.275 ( 1.886 -2.729 -7.331) 8.047======================= Grid point 75 (33/116) =======================q-point: (-0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( -4.526 4.783 3.245) 7.341 1.737 ( -6.347 3.718 1.023) 7.427 1.817 ( 0.430 -0.881 0.018) 0.980 1.932 ( 1.009 3.833 0.225) 3.970 2.123 ( 10.233 -2.577 4.406) 11.435 2.226 ( -3.940 -6.978 3.968) 8.943 2.313 ( 0.156 1.500 0.563) 1.610 2.454 ( 2.405 -0.703 -2.389) 3.462 2.578 ( -1.205 -5.351 -4.259) 6.945 2.728 ( -5.814 -1.496 2.247) 6.410 2.850 ( -6.315 -1.233 0.073) 6.435 2.909 ( 1.687 -4.228 4.587) 6.462 2.956 ( -0.338 0.997 2.069) 2.322 3.100 ( 0.532 -4.312 3.947) 5.870 3.335 ( 6.299 14.348 4.975) 16.440 3.404 ( -0.277 -3.467 -2.695) 4.400 3.425 ( -0.488 1.274 -0.472) 1.443 3.657 ( -0.525 3.245 -3.115) 4.529 3.720 ( -5.889 6.836 -1.549) 9.155 3.793 ( -2.336 -2.206 1.060) 3.383 3.862 ( 9.299 4.014 -0.274) 10.132 4.158 ( 0.502 -0.392 -1.034) 1.214 4.504 ( 1.674 -3.494 -2.625) 4.680 4.651 ( 0.592 0.099 -4.022) 4.066 6.050 ( -1.605 2.113 5.618) 6.213 6.133 ( 0.949 3.442 1.577) 3.904 6.319 ( -3.411 7.092 5.047) 9.349 6.532 ( -0.321 3.174 -1.349) 3.463 6.588 ( -2.797 -0.979 8.654) 9.147 6.715 ( -0.552 -2.079 -0.177) 2.158 6.872 ( -0.170 -5.437 -2.588) 6.024 6.956 ( 1.107 0.973 1.691) 2.244 6.994 ( 2.563 -1.028 0.473) 2.802 7.115 ( 1.032 2.462 0.412) 2.701 7.166 ( 0.778 5.595 -4.723) 7.363 7.468 ( -3.650 0.132 -3.245) 4.885 7.510 ( -1.858 2.140 2.382) 3.702 7.591 ( 1.843 -2.183 -4.622) 5.433 7.781 ( -2.509 -1.835 4.432) 5.414 7.840 ( 0.396 4.410 -2.486) 5.078 7.957 ( 1.910 -6.292 2.328) 6.976 8.483 ( 1.290 0.668 -2.065) 2.525 8.495 ( 2.166 -0.986 -0.206) 2.389 8.619 ( 0.473 -2.522 -1.438) 2.941 8.683 ( -0.961 -1.145 2.630) 3.025 8.891 ( -2.485 -2.013 -0.972) 3.342 9.128 ( -0.281 2.211 -1.286) 2.573 9.297 ( 2.116 -2.652 -5.511) 6.472======================= Grid point 76 (34/116) =======================q-point: (-0.38 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.403 ( -15.764 6.094 1.568) 16.974 1.527 ( -16.033 2.290 5.617) 17.142 1.808 ( -0.625 0.210 -0.105) 0.668 2.001 ( 4.402 1.569 -0.009) 4.673 2.124 ( -6.753 -5.105 3.842) 9.296 2.301 ( 2.367 -1.044 0.228) 2.597 2.331 ( 2.394 1.207 1.345) 3.000 2.516 ( 5.237 1.977 1.250) 5.736 2.533 ( -2.014 -2.051 -4.201) 5.090 2.687 ( -8.965 2.069 1.059) 9.262 2.768 ( 7.039 -0.668 4.788) 8.539 2.927 ( -2.225 2.486 1.171) 3.535 2.978 ( 5.600 -2.674 -0.341) 6.215 3.107 ( -1.156 -6.984 0.833) 7.127 3.230 ( -9.241 4.332 2.237) 10.448 3.403 ( -2.151 -1.206 -1.174) 2.731 3.509 ( 3.725 2.753 3.601) 5.867 3.619 ( -2.262 5.378 0.180) 5.838 3.673 ( 0.618 3.000 -1.919) 3.614 3.847 ( 6.425 -2.932 -1.831) 7.296 4.031 ( 7.825 4.025 -0.544) 8.817 4.153 ( -0.484 -0.238 -1.042) 1.173 4.533 ( 1.414 -3.892 -1.168) 4.302 4.689 ( 4.461 -1.344 -4.673) 6.599 6.034 ( -1.329 3.195 5.745) 6.706 6.162 ( 1.227 4.885 2.417) 5.587 6.272 ( -2.409 5.777 2.875) 6.888 6.500 ( -2.811 -0.264 0.415) 2.854 6.544 ( -3.791 1.134 6.522) 7.629 6.698 ( -0.671 -2.346 -1.000) 2.637 6.856 ( -0.710 -5.014 -2.719) 5.748 7.003 ( 2.963 -2.410 1.168) 3.994 7.052 ( 2.603 3.435 -0.257) 4.317 7.160 ( -0.360 4.462 -3.590) 5.738 7.180 ( 5.258 1.429 2.948) 6.195 7.364 ( -4.822 -1.342 -4.968) 7.052 7.477 ( -3.185 4.410 1.846) 5.745 7.582 ( -0.201 0.285 -2.929) 2.950 7.776 ( 0.374 0.057 3.672) 3.691 7.828 ( 1.787 0.774 0.551) 2.024 8.069 ( 6.561 -4.428 0.924) 7.969 8.496 ( 0.123 0.018 -2.281) 2.284 8.548 ( 2.828 2.572 0.101) 3.824 8.610 ( -1.209 -1.781 -2.558) 3.343 8.675 ( -0.514 -6.193 2.919) 6.866 8.829 ( -3.127 -1.849 -2.246) 4.271 9.111 ( -0.860 3.208 -1.529) 3.656 9.324 ( 2.010 -1.956 -4.618) 5.403======================= Grid point 77 (35/116) =======================q-point: (-0.25 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.064 ( -19.263 7.476 3.205) 20.910 1.192 ( -19.259 5.556 12.466) 23.604 1.770 ( -5.290 5.700 3.840) 8.673 1.956 ( -11.304 7.850 6.657) 15.288 2.090 ( 4.380 -0.395 -2.063) 4.858 2.311 ( -3.104 1.967 -1.321) 3.905 2.321 ( 0.520 3.304 1.140) 3.534 2.502 ( 1.518 -0.711 -0.927) 1.915 2.599 ( 0.159 -4.043 -2.799) 4.920 2.666 ( 7.161 3.419 3.369) 8.621 2.868 ( -2.120 2.164 -1.987) 3.623 2.914 ( 4.781 -1.806 4.378) 6.729 3.046 ( -4.162 -2.000 -3.824) 5.995 3.104 ( -1.958 -4.689 1.757) 5.377 3.151 ( 8.885 -1.271 2.191) 9.239 3.338 ( -3.602 -0.404 -1.187) 3.814 3.543 ( -0.961 6.352 4.541) 7.868 3.596 ( -0.202 -2.105 2.746) 3.466 3.692 ( 1.423 2.649 -1.679) 3.444 3.921 ( -0.091 -2.740 -3.231) 4.237 4.110 ( -0.280 -2.499 -1.706) 3.038 4.208 ( 8.047 2.741 -3.146) 9.064 4.532 ( -1.659 -3.854 0.210) 4.201 4.789 ( 6.707 -5.189 -5.512) 10.114 6.038 ( 0.119 3.736 7.100) 8.024 6.195 ( 1.867 10.087 1.990) 10.449 6.247 ( -0.613 3.058 1.483) 3.453 6.431 ( -5.066 -1.315 5.550) 7.629 6.488 ( -2.641 0.978 2.157) 3.547 6.695 ( 0.841 -2.184 -0.980) 2.538 6.832 ( -1.014 -4.613 -2.872) 5.528 7.038 ( -0.270 -3.130 -1.737) 3.590 7.094 ( 2.021 4.724 -0.354) 5.150 7.133 ( -1.413 2.394 -1.906) 3.370 7.218 ( -4.343 -1.148 0.586) 4.530 7.345 ( 3.646 0.603 -0.328) 3.710 7.433 ( 1.455 6.145 -1.775) 6.560 7.619 ( 3.882 2.022 4.181) 6.054 7.808 ( 1.996 0.369 2.894) 3.536 7.911 ( 5.903 0.818 1.302) 6.100 8.185 ( 5.071 -3.543 -0.460) 6.203 8.457 ( -4.189 0.405 -0.324) 4.221 8.557 ( -3.139 -0.867 -3.264) 4.611 8.589 ( 1.143 0.298 -1.562) 1.958 8.676 ( 0.204 -7.296 0.508) 7.317 8.778 ( -1.233 -0.965 -2.133) 2.646 9.096 ( -0.113 5.107 -1.533) 5.333 9.342 ( 0.829 -1.234 -4.927) 5.146======================= Grid point 78 (36/116) =======================q-point: (-0.12 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.767 ( -10.032 15.586 11.966) 22.062 0.906 ( -13.187 13.821 17.167) 25.684 1.557 ( -16.981 28.088 19.212) 38.031 1.845 ( -1.930 1.234 3.115) 3.867 2.136 ( 1.047 -2.210 -3.201) 4.028 2.263 ( -1.320 0.804 -1.035) 1.860 2.331 ( 0.033 2.655 0.529) 2.708 2.562 ( 3.934 -0.357 -3.357) 5.184 2.635 ( 3.384 -4.997 -1.785) 6.293 2.771 ( 1.642 2.723 1.209) 3.402 2.832 ( 0.574 0.567 0.430) 0.914 2.954 ( -2.020 -3.295 -0.302) 3.877 3.013 ( 1.969 -4.843 -2.679) 5.874 3.093 ( 1.938 -0.567 1.497) 2.514 3.265 ( -0.745 1.969 -1.124) 2.387 3.358 ( 7.488 0.507 3.295) 8.196 3.514 ( -2.806 3.277 5.119) 6.694 3.611 ( 0.482 -1.313 1.268) 1.888 3.708 ( 0.368 2.438 -0.487) 2.514 3.818 ( -8.257 -1.527 -5.893) 10.259 4.093 ( -0.642 -2.675 -0.924) 2.902 4.343 ( 5.664 -2.370 -4.297) 7.494 4.475 ( -3.667 -4.029 -0.066) 5.448 4.892 ( 4.939 -8.273 -5.598) 11.144 6.065 ( -0.231 3.896 5.956) 7.120 6.250 ( 1.623 2.679 2.545) 4.036 6.293 ( 6.490 10.336 1.205) 12.264 6.356 ( -1.658 2.782 7.232) 7.924 6.467 ( -0.176 -0.925 3.020) 3.163 6.722 ( 1.565 -1.921 -0.425) 2.514 6.806 ( -0.740 -4.316 -2.083) 4.849 6.993 ( -2.839 -2.663 -1.836) 4.304 7.079 ( -4.070 1.616 -0.615) 4.422 7.129 ( 0.648 3.490 -1.632) 3.907 7.145 ( -1.371 2.420 2.048) 3.454 7.371 ( 0.778 0.378 -3.421) 3.529 7.512 ( 3.466 3.702 -0.509) 5.097 7.731 ( 5.336 -0.212 1.804) 5.636 7.884 ( 5.614 0.806 4.939) 7.520 8.035 ( 5.646 0.456 1.179) 5.786 8.251 ( 1.816 -2.649 -2.291) 3.945 8.342 ( -7.283 -1.478 2.135) 7.732 8.492 ( -1.917 -0.785 -2.192) 3.016 8.571 ( -2.388 -2.766 -1.800) 4.073 8.701 ( 2.581 -1.444 -1.620) 3.372 8.767 ( 0.586 -0.096 -1.978) 2.065 9.101 ( 1.354 7.134 -3.354) 7.999 9.313 ( -2.848 0.113 -6.058) 6.695======================= Grid point 79 (37/116) =======================q-point: ( 0.00 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.214 ( 1.498 19.848 12.893) 23.716 1.267 ( 4.242 25.416 6.374) 26.544 1.848 ( 0.597 -0.531 4.652) 4.720 1.989 ( -1.347 20.112 4.838) 20.729 2.090 ( -0.715 -0.241 -4.132) 4.200 2.253 ( -0.440 0.271 -3.194) 3.235 2.425 ( -1.310 9.627 6.954) 11.948 2.503 ( 1.684 -9.319 0.904) 9.513 2.591 ( 1.956 -7.998 -2.097) 8.496 2.790 ( -1.397 5.090 0.809) 5.340 2.833 ( -2.176 2.812 -4.602) 5.815 2.928 ( 1.903 -1.524 -3.094) 3.939 3.034 ( 3.765 3.639 -1.239) 5.381 3.139 ( 1.941 -1.395 -0.124) 2.393 3.262 ( -0.619 -2.684 -1.808) 3.295 3.470 ( -1.380 2.322 0.296) 2.718 3.525 ( -4.362 3.017 6.529) 8.411 3.598 ( -2.616 0.720 0.750) 2.815 3.694 ( 0.095 1.644 -0.041) 1.648 3.792 ( 2.349 2.156 -1.337) 3.457 4.019 ( 1.191 -4.981 2.244) 5.592 4.184 ( -2.204 -11.120 -1.133) 11.393 4.377 ( -0.568 -2.971 -1.398) 3.332 4.707 ( 0.368 -13.209 -2.372) 13.425 6.155 ( -2.104 5.495 4.743) 7.558 6.314 ( -0.219 0.356 6.624) 6.638 6.321 ( 1.180 2.912 0.525) 3.185 6.474 ( 1.483 -0.779 6.455) 6.669 6.664 ( 4.183 -2.001 -1.037) 4.751 6.680 ( 0.052 -0.812 1.585) 1.782 6.744 ( 2.717 -0.343 1.714) 3.230 6.903 ( -1.020 -1.190 1.410) 2.108 7.058 ( -2.653 3.019 -0.214) 4.025 7.182 ( -0.111 4.400 -0.134) 4.403 7.189 ( -0.686 -0.049 1.384) 1.546 7.400 ( 0.565 2.678 -2.744) 3.876 7.614 ( -1.007 5.737 -6.360) 8.624 7.760 ( 1.076 -1.952 -0.250) 2.242 7.907 ( 0.297 -6.033 3.759) 7.114 8.025 ( -0.240 -4.195 -1.757) 4.555 8.167 ( -5.536 1.430 0.449) 5.735 8.256 ( -1.801 -0.844 -4.489) 4.910 8.475 ( 1.693 -1.009 -0.086) 1.973 8.514 ( 1.626 -2.064 -0.349) 2.650 8.774 ( 1.656 1.282 -1.813) 2.770 8.802 ( 3.026 0.314 0.136) 3.045 9.221 ( 1.393 2.221 -4.904) 5.561 9.251 ( -3.063 1.724 -5.853) 6.827======================= Grid point 80 (38/116) =======================q-point: ( 0.12 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.322 ( 3.805 19.493 11.237) 22.819 1.357 ( 5.299 21.569 9.106) 24.005 1.878 ( 1.970 1.885 3.749) 4.636 2.028 ( 1.275 7.244 2.588) 7.798 2.071 ( 0.776 2.638 -3.291) 4.288 2.240 ( -0.217 0.225 -3.191) 3.206 2.463 ( 3.702 10.153 6.057) 12.389 2.541 ( 1.963 -8.571 1.930) 9.003 2.597 ( -1.371 -7.970 -2.339) 8.418 2.744 ( -4.234 5.922 0.100) 7.280 2.778 ( -1.344 4.276 -3.448) 5.655 2.941 ( 0.346 -2.494 -1.954) 3.188 3.114 ( 3.215 2.025 0.356) 3.816 3.148 ( -1.074 -1.408 1.977) 2.654 3.230 ( -0.893 -2.331 -2.696) 3.674 3.400 ( -4.697 1.740 3.381) 6.043 3.445 ( -7.664 1.405 -0.340) 7.799 3.526 ( -0.458 0.328 1.705) 1.796 3.705 ( 0.730 -0.717 -2.366) 2.577 3.859 ( 3.426 5.539 1.874) 6.777 4.048 ( 0.419 -6.027 1.416) 6.205 4.211 ( 5.137 -7.145 -2.863) 9.254 4.352 ( -1.840 -1.700 -1.271) 2.810 4.694 ( -0.981 -12.174 -2.239) 12.417 6.120 ( -2.227 5.768 3.819) 7.267 6.291 ( -1.946 2.268 2.224) 3.725 6.405 ( 4.631 1.596 5.040) 7.028 6.528 ( 1.775 -0.510 7.910) 8.123 6.649 ( -2.742 0.457 2.430) 3.692 6.722 ( 1.144 -3.760 0.057) 3.931 6.771 ( -0.591 1.196 3.996) 4.213 6.916 ( 1.341 -1.133 0.549) 1.840 7.045 ( 1.939 0.201 -0.197) 1.960 7.149 ( -2.394 -0.347 0.364) 2.447 7.238 ( 3.896 4.001 -0.208) 5.588 7.360 ( -3.937 5.091 -4.651) 7.940 7.571 ( -0.022 6.330 -3.405) 7.188 7.759 ( -1.581 -2.375 -2.730) 3.949 7.885 ( -3.488 -2.755 5.718) 7.242 7.943 ( -6.553 -1.413 -0.812) 6.753 8.142 ( -0.914 -1.808 -4.858) 5.264 8.196 ( 0.722 -4.044 -3.373) 5.315 8.505 ( 1.183 -1.304 -1.272) 2.172 8.550 ( 1.744 -1.740 -0.560) 2.527 8.776 ( -0.952 1.317 0.420) 1.678 8.863 ( 2.240 -0.777 2.956) 3.790 9.177 ( -2.417 3.223 -3.948) 5.640 9.229 ( 1.034 0.453 -7.843) 7.924======================= Grid point 81 (39/116) =======================q-point: ( 0.25 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( 6.474 14.620 7.913) 17.840 1.543 ( 9.105 14.610 8.352) 19.135 1.937 ( 2.749 1.856 3.697) 4.967 2.002 ( -2.321 2.376 -3.643) 4.930 2.086 ( -0.741 -0.370 0.828) 1.172 2.222 ( -1.082 0.870 -2.564) 2.916 2.507 ( -5.497 -7.873 -3.481) 10.214 2.551 ( 1.155 4.414 -0.658) 4.610 2.593 ( 2.405 -8.645 5.059) 10.302 2.631 ( -6.576 5.749 0.492) 8.748 2.819 ( 5.930 7.828 0.133) 9.822 2.935 ( -0.372 -3.189 -1.229) 3.438 3.035 ( -6.709 -3.643 1.820) 7.848 3.175 ( -4.721 -0.138 -0.387) 4.739 3.214 ( -0.679 -1.884 -0.270) 2.021 3.325 ( 1.143 3.224 4.507) 5.658 3.360 ( -0.111 0.904 0.559) 1.069 3.582 ( 5.265 2.573 -0.310) 5.868 3.713 ( 1.049 -1.996 -4.683) 5.198 3.909 ( 1.049 7.307 2.499) 7.793 4.060 ( 1.214 -5.470 0.431) 5.620 4.248 ( -4.120 0.198 -1.952) 4.563 4.348 ( 3.819 -2.619 -1.320) 4.815 4.661 ( -1.608 -8.648 -2.351) 9.105 6.098 ( -0.942 5.089 3.507) 6.252 6.251 ( -2.651 2.675 1.730) 4.144 6.507 ( 4.161 2.687 4.544) 6.721 6.577 ( 0.954 -0.618 7.925) 8.006 6.595 ( -3.363 4.971 5.565) 8.185 6.735 ( 0.673 -5.515 -0.543) 5.582 6.758 ( -1.774 3.172 2.211) 4.255 6.926 ( -0.174 -1.932 -0.218) 1.952 7.089 ( -3.129 -1.215 0.387) 3.379 7.130 ( 4.668 -0.123 0.966) 4.768 7.243 ( -2.378 3.367 -4.239) 5.913 7.336 ( 3.115 6.409 -1.142) 7.217 7.599 ( 2.423 1.392 -0.112) 2.797 7.702 ( -2.170 2.474 -2.561) 4.170 7.765 ( -7.243 -0.211 -2.302) 7.603 7.867 ( -3.983 -2.578 4.378) 6.456 8.054 ( -3.815 -1.872 -3.400) 5.443 8.271 ( 4.571 -7.949 -2.684) 9.554 8.511 ( -0.003 -0.746 -2.198) 2.322 8.571 ( 0.977 -1.128 -2.115) 2.588 8.748 ( -2.065 1.600 2.631) 3.708 8.891 ( -0.228 -2.157 3.211) 3.875 9.147 ( 0.343 2.531 -3.407) 4.258 9.224 ( 0.614 -1.413 -7.559) 7.715======================= Grid point 82 (40/116) =======================q-point: ( 0.38 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( 12.069 4.330 4.836) 13.704 1.706 ( 5.325 9.678 4.415) 11.896 1.924 ( -4.417 2.995 -2.419) 5.859 2.004 ( 2.108 2.082 2.325) 3.766 2.045 ( -2.898 -1.064 0.336) 3.106 2.166 ( -4.594 -1.044 0.674) 4.759 2.399 ( -3.289 -2.821 -1.616) 4.625 2.497 ( -4.156 3.259 -2.083) 5.678 2.542 ( -2.516 0.105 -2.773) 3.746 2.664 ( 2.663 -10.410 5.189) 11.932 2.830 ( -6.086 -2.292 -0.158) 6.506 2.919 ( -2.124 0.509 0.325) 2.208 2.982 ( -0.362 -0.013 0.457) 0.583 3.063 ( -2.149 -3.829 0.056) 4.391 3.228 ( 2.974 0.435 1.035) 3.179 3.374 ( 2.701 0.441 -2.058) 3.424 3.450 ( 6.187 4.589 4.234) 8.790 3.667 ( 1.254 -1.111 -2.517) 3.023 3.762 ( 7.063 3.802 -0.604) 8.044 3.914 ( -1.223 7.295 2.036) 7.672 4.095 ( -0.933 -1.295 1.612) 2.269 4.111 ( -5.731 5.637 -1.826) 8.243 4.403 ( 1.500 -4.340 -1.090) 4.720 4.632 ( -0.380 -4.453 -2.701) 5.222 6.101 ( 0.076 4.048 3.990) 5.685 6.210 ( -1.687 3.163 1.569) 3.913 6.540 ( -2.816 7.415 6.040) 9.970 6.587 ( 1.105 1.984 5.526) 5.975 6.607 ( 0.442 0.969 4.044) 4.181 6.712 ( -3.050 2.112 0.361) 3.727 6.747 ( 0.546 -5.866 -0.361) 5.902 6.927 ( 0.560 -1.743 0.410) 1.876 7.025 ( -2.482 2.123 0.662) 3.333 7.165 ( -0.797 3.731 0.644) 3.869 7.263 ( 3.731 1.313 -4.056) 5.665 7.397 ( 3.881 1.817 -0.325) 4.298 7.581 ( -5.140 -0.069 -0.396) 5.156 7.663 ( -1.299 -2.164 -2.881) 3.831 7.695 ( -0.738 -0.970 -1.569) 1.987 7.806 ( -0.549 -0.420 3.891) 3.952 7.992 ( -2.955 0.297 -1.011) 3.138 8.334 ( 2.996 -7.986 -2.174) 8.803 8.501 ( 0.088 1.021 -2.088) 2.326 8.585 ( 1.009 -1.027 -2.150) 2.587 8.716 ( -2.047 1.351 2.988) 3.866 8.875 ( -1.830 -3.237 1.260) 3.926 9.158 ( 1.159 1.374 -2.957) 3.460 9.218 ( 0.983 -2.565 -6.150) 6.735======================= Grid point 83 (41/116) =======================q-point: (-0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.733 ( -4.396 5.856 0.343) 7.331 1.819 ( -4.780 3.655 -0.352) 6.028 1.837 ( 1.964 2.525 0.854) 3.311 1.961 ( -3.724 -8.779 3.162) 10.046 2.012 ( 1.678 3.923 0.340) 4.280 2.159 ( 4.027 -0.288 3.455) 5.314 2.375 ( -0.362 2.152 -0.176) 2.190 2.438 ( -1.472 -5.218 -2.628) 6.025 2.512 ( 1.718 3.490 -4.768) 6.153 2.668 ( -2.710 -4.829 1.067) 5.639 2.778 ( 2.293 -6.665 1.816) 7.278 2.866 ( -3.493 2.154 1.227) 4.283 2.963 ( 0.092 -2.472 -2.441) 3.475 3.051 ( -0.916 -0.242 3.796) 3.912 3.295 ( 2.472 -4.870 -2.008) 5.819 3.426 ( 2.354 -0.111 -0.574) 2.426 3.556 ( 2.210 5.030 1.497) 5.694 3.675 ( 1.756 -2.793 0.150) 3.303 3.854 ( -6.334 7.865 3.174) 10.585 3.861 ( -2.614 7.086 1.643) 7.729 4.004 ( 5.214 10.635 -3.393) 12.320 4.138 ( 0.872 -1.398 1.724) 2.385 4.413 ( 0.447 -5.184 -0.395) 5.218 4.632 ( 0.889 -2.601 -2.582) 3.771 6.113 ( -0.292 4.072 4.926) 6.397 6.207 ( 0.971 3.411 2.057) 4.100 6.494 ( -3.293 9.227 4.557) 10.804 6.571 ( -3.831 0.919 3.796) 5.471 6.618 ( -0.664 3.670 -0.338) 3.745 6.664 ( -1.569 -2.524 1.925) 3.542 6.753 ( 0.034 -5.834 -0.008) 5.834 6.937 ( -0.032 -2.425 0.568) 2.491 7.031 ( 2.671 2.930 3.211) 5.102 7.168 ( 1.463 4.017 0.492) 4.304 7.292 ( 0.759 6.361 -5.251) 8.284 7.447 ( -3.807 -3.827 -2.690) 6.031 7.495 ( 2.171 -0.474 -1.305) 2.577 7.621 ( -3.276 2.768 0.300) 4.299 7.697 ( 2.753 -6.666 1.594) 7.386 7.850 ( -0.432 -3.317 3.609) 4.921 7.935 ( 0.625 5.123 -2.951) 5.945 8.388 ( 2.948 -8.191 -1.383) 8.815 8.519 ( 2.267 1.806 -1.072) 3.091 8.591 ( -0.134 -0.203 -0.840) 0.875 8.681 ( -2.352 0.563 1.320) 2.755 8.834 ( -2.462 -3.525 -0.752) 4.365 9.163 ( 0.246 1.045 -3.322) 3.491 9.238 ( 2.329 -2.866 -4.104) 5.520======================= Grid point 84 (42/116) =======================q-point: (-0.38 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.527 ( -14.228 6.259 0.525) 15.553 1.638 ( -12.702 8.444 4.922) 16.027 1.824 ( 0.045 1.288 -1.293) 1.825 1.987 ( 3.907 -4.036 -1.020) 5.709 2.077 ( 1.546 1.992 2.436) 3.506 2.259 ( 3.779 -2.131 0.210) 4.343 2.360 ( -0.010 -2.105 -2.142) 3.003 2.426 ( 1.060 -5.580 -2.846) 6.352 2.598 ( 7.493 5.074 -3.285) 9.627 2.663 ( 0.423 -2.582 2.146) 3.384 2.809 ( -1.731 4.034 1.507) 4.641 2.857 ( 5.192 -5.777 0.090) 7.768 2.976 ( 2.058 -2.783 -2.981) 4.568 3.048 ( -0.196 2.747 4.895) 5.617 3.287 ( -3.450 -1.983 -3.400) 5.234 3.410 ( -5.893 3.573 0.765) 6.934 3.521 ( -2.690 -0.110 7.049) 7.546 3.702 ( 0.838 -0.283 -2.236) 2.404 3.781 ( -5.023 6.966 1.503) 8.719 3.824 ( 3.676 3.551 0.168) 5.114 4.096 ( -0.639 0.254 0.048) 0.689 4.174 ( 5.140 4.400 -0.444) 6.781 4.428 ( 0.705 -5.931 0.801) 6.026 4.647 ( 1.212 -3.543 -2.292) 4.391 6.119 ( -0.401 5.071 5.794) 7.710 6.250 ( 2.431 3.560 2.973) 5.236 6.443 ( -2.594 10.438 1.411) 10.847 6.488 ( -4.676 -0.094 0.774) 4.740 6.576 ( -3.657 0.937 3.070) 4.866 6.652 ( -0.376 -1.872 -0.076) 1.911 6.748 ( -0.491 -5.559 -0.087) 5.581 6.941 ( 0.323 -4.380 0.883) 4.480 7.108 ( 3.573 2.605 2.627) 5.144 7.228 ( 3.042 3.817 3.200) 5.836 7.267 ( -1.544 5.337 -5.216) 7.621 7.362 ( -1.985 0.622 -2.856) 3.533 7.555 ( 2.223 0.190 3.884) 4.479 7.565 ( -1.420 1.896 -6.570) 6.984 7.774 ( 3.853 -3.042 2.813) 5.658 7.805 ( -1.126 -1.785 1.989) 2.900 8.026 ( 6.580 1.303 -0.407) 6.720 8.431 ( 1.921 -8.729 -1.836) 9.125 8.544 ( -2.003 -0.249 1.189) 2.342 8.598 ( 2.436 1.775 -0.562) 3.066 8.630 ( -2.696 0.321 -1.657) 3.180 8.783 ( -2.052 -2.662 -2.320) 4.084 9.161 ( 0.565 1.746 -2.707) 3.271 9.276 ( 2.454 -2.709 -3.367) 4.970======================= Grid point 85 (43/116) =======================q-point: (-0.25 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.270 ( -11.109 14.041 3.276) 18.201 1.415 ( -11.475 14.149 6.774) 19.436 1.821 ( -0.246 1.005 0.444) 1.126 2.063 ( 1.864 0.645 0.009) 1.972 2.091 ( 1.221 1.212 -1.068) 2.025 2.287 ( 0.359 -1.857 -1.932) 2.704 2.386 ( 2.894 -7.242 -2.518) 8.195 2.456 ( 2.630 -4.255 -2.839) 5.752 2.618 ( -5.280 10.363 4.533) 12.482 2.741 ( 7.353 4.184 -2.445) 8.806 2.830 ( 2.398 -2.947 0.017) 3.799 2.919 ( -0.216 0.392 -0.367) 0.579 2.995 ( -1.055 -2.359 -1.487) 2.982 3.134 ( -1.944 6.417 -1.370) 6.844 3.162 ( 5.823 2.603 5.083) 8.156 3.308 ( -3.601 -1.269 0.009) 3.818 3.532 ( 0.952 -3.298 5.650) 6.611 3.681 ( -5.202 6.281 3.347) 8.816 3.733 ( 2.142 0.398 -4.002) 4.557 3.871 ( -0.407 -1.713 -0.674) 1.885 4.043 ( -3.081 -3.466 0.811) 4.708 4.261 ( 3.086 1.633 -2.734) 4.435 4.424 ( -1.831 -5.838 2.584) 6.641 4.668 ( 1.674 -7.060 -2.410) 7.645 6.132 ( 0.089 5.464 6.951) 8.841 6.295 ( 0.778 2.658 2.240) 3.562 6.400 ( -3.182 1.215 1.474) 3.712 6.438 ( 1.669 9.781 0.053) 9.923 6.505 ( -4.125 0.306 3.109) 5.175 6.649 ( 0.244 -2.140 0.333) 2.179 6.734 ( -0.849 -5.254 -0.435) 5.340 6.946 ( -0.216 -5.312 0.101) 5.318 7.168 ( 1.404 2.482 3.313) 4.371 7.188 ( -2.937 2.773 -1.522) 4.316 7.267 ( -2.121 5.232 0.312) 5.654 7.368 ( 2.243 1.705 -3.135) 4.215 7.537 ( 1.898 3.955 -4.956) 6.618 7.636 ( 4.631 0.621 3.285) 5.712 7.811 ( 2.054 -0.765 0.713) 2.305 7.887 ( 5.462 -4.001 4.327) 8.036 8.151 ( 6.209 0.874 -1.317) 6.407 8.438 ( -3.781 -8.127 2.131) 9.213 8.475 ( -1.924 0.277 -2.083) 2.849 8.561 ( -3.176 -0.876 -3.181) 4.580 8.658 ( 3.147 1.979 -1.591) 4.044 8.756 ( 0.090 -1.243 -2.770) 3.037 9.173 ( 1.408 2.819 -2.310) 3.907 9.307 ( 1.490 -2.199 -3.531) 4.418======================= Grid point 86 (44/116) =======================q-point: (-0.12 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( -0.529 22.217 6.889) 23.267 1.257 ( -6.232 19.870 8.545) 22.509 1.825 ( 0.372 0.383 2.957) 3.005 2.042 ( -3.075 10.468 1.997) 11.092 2.110 ( 0.037 0.198 -3.122) 3.129 2.276 ( -0.776 -0.226 -3.238) 3.337 2.436 ( 1.046 -1.675 3.093) 3.670 2.483 ( -0.660 -5.747 1.313) 5.932 2.556 ( 0.607 6.333 -0.213) 6.365 2.835 ( -3.454 2.718 3.473) 5.602 2.849 ( 2.652 2.681 -2.995) 4.816 2.885 ( 2.213 -0.341 -5.753) 6.173 2.985 ( 1.530 0.968 -2.394) 3.001 3.101 ( 1.216 1.124 0.272) 1.678 3.265 ( -0.424 -2.466 -1.310) 2.825 3.386 ( 9.472 3.022 4.416) 10.879 3.569 ( 0.243 0.239 4.253) 4.267 3.600 ( -2.875 2.590 4.269) 5.762 3.749 ( -1.266 0.900 -2.180) 2.676 3.799 ( -3.897 -0.858 -3.256) 5.150 4.012 ( -0.697 -5.170 1.389) 5.399 4.256 ( -3.079 -7.334 -1.572) 8.108 4.391 ( -1.260 -2.855 1.089) 3.305 4.694 ( 1.503 -11.223 -2.479) 11.592 6.157 ( 0.209 4.985 6.804) 8.437 6.294 ( -0.559 1.951 1.918) 2.792 6.349 ( -2.644 0.995 3.427) 4.441 6.455 ( -1.406 -0.338 3.717) 3.989 6.536 ( 7.373 8.888 -0.675) 11.568 6.667 ( 1.135 -2.595 1.868) 3.393 6.718 ( -0.385 -4.667 -0.375) 4.698 6.929 ( -1.367 -3.388 -0.089) 3.655 7.121 ( -3.447 2.966 0.830) 4.622 7.195 ( -0.080 2.051 1.201) 2.378 7.211 ( -2.529 4.454 0.382) 5.136 7.388 ( 1.160 1.522 -3.799) 4.254 7.593 ( 3.864 3.296 -4.613) 6.861 7.726 ( 2.989 0.604 2.081) 3.692 7.864 ( 2.827 -3.067 1.086) 4.310 7.992 ( 3.603 -4.213 2.822) 6.221 8.242 ( 3.092 1.191 -3.316) 4.688 8.310 ( -7.505 -1.758 2.247) 8.029 8.464 ( -0.345 -1.892 -1.400) 2.379 8.507 ( -0.913 -2.243 -2.172) 3.253 8.718 ( 3.667 1.702 -2.067) 4.540 8.766 ( 1.481 -0.047 -2.419) 2.837 9.199 ( 1.846 3.252 -3.270) 4.967 9.306 ( -0.775 -0.926 -4.569) 4.726======================= Grid point 87 (45/116) =======================q-point: ( 0.00 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( 2.021 15.153 8.565) 17.523 1.728 ( 4.081 13.559 2.183) 14.327 1.817 ( 0.592 3.382 6.806) 7.623 2.103 ( 0.799 -3.672 -2.110) 4.310 2.124 ( -0.449 1.287 -3.133) 3.417 2.244 ( 1.457 -13.354 -0.077) 13.434 2.260 ( -0.477 0.753 -1.811) 2.018 2.334 ( 0.751 -7.517 -0.820) 7.599 2.782 ( -0.534 9.383 -1.944) 9.597 2.863 ( 0.343 -0.879 -5.752) 5.829 2.920 ( -0.416 5.231 -2.517) 5.820 2.929 ( -0.360 2.257 -2.880) 3.677 3.083 ( 0.972 0.044 -1.639) 1.907 3.141 ( 0.361 -3.698 -2.927) 4.730 3.309 ( 1.684 17.557 5.328) 18.425 3.521 ( -2.799 2.577 0.078) 3.806 3.560 ( -4.415 -0.485 0.277) 4.450 3.619 ( -0.374 -1.698 0.984) 1.998 3.711 ( -1.210 -0.091 1.234) 1.731 3.764 ( 0.619 -8.855 1.766) 9.051 3.905 ( 1.197 -1.410 5.796) 6.084 3.981 ( 0.793 -7.030 3.880) 8.068 4.356 ( -1.067 1.644 -0.338) 1.988 4.466 ( -0.704 -9.609 0.030) 9.634 6.249 ( -1.187 3.796 4.418) 5.944 6.303 ( 0.009 -1.617 4.611) 4.887 6.396 ( 0.979 4.198 2.602) 5.035 6.457 ( 1.669 -1.440 6.630) 6.987 6.598 ( 0.023 -1.933 1.271) 2.313 6.619 ( 0.388 -3.458 3.597) 5.005 6.812 ( 2.568 4.095 0.107) 4.835 6.875 ( 0.797 -2.134 0.432) 2.319 7.109 ( -2.663 2.203 -0.545) 3.499 7.152 ( -2.143 -2.184 0.262) 3.071 7.323 ( 0.805 7.463 -1.251) 7.609 7.422 ( 1.238 -1.592 -1.280) 2.389 7.689 ( 1.817 2.056 -3.207) 4.220 7.740 ( -1.079 -1.850 0.216) 2.152 7.828 ( -0.720 1.143 0.841) 1.591 7.921 ( -0.970 -5.889 -1.995) 6.293 8.205 ( -3.888 1.984 -2.440) 5.000 8.237 ( -2.604 -1.191 -4.373) 5.227 8.462 ( 1.576 -0.074 0.377) 1.622 8.477 ( 1.678 -1.489 0.049) 2.244 8.796 ( 1.724 0.864 -1.359) 2.359 8.805 ( 2.441 -0.094 -0.603) 2.517 9.252 ( -0.053 1.083 -4.041) 4.184 9.265 ( -1.014 -0.134 -4.874) 4.980======================= Grid point 88 (46/116) =======================q-point: ( 0.12 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.667 ( 4.911 14.464 8.532) 17.496 1.788 ( 0.064 19.459 4.398) 19.950 1.858 ( 2.506 -3.030 7.331) 8.319 2.086 ( -1.978 -4.221 -1.128) 4.796 2.099 ( -0.756 3.323 -3.537) 4.912 2.246 ( -0.244 -2.952 -0.323) 2.980 2.269 ( 0.475 -9.899 -0.579) 9.927 2.353 ( 1.304 -8.854 0.148) 8.951 2.760 ( -1.733 8.589 -4.661) 9.924 2.845 ( 0.469 0.280 -6.001) 6.026 2.885 ( -2.894 4.909 -1.447) 5.879 2.915 ( -0.179 0.526 -3.938) 3.977 3.063 ( -3.131 -1.494 -0.018) 3.469 3.128 ( -1.139 -5.596 -3.573) 6.736 3.369 ( 2.600 16.544 3.717) 17.155 3.443 ( -5.312 3.018 3.600) 7.091 3.456 ( -7.559 -0.334 0.766) 7.605 3.585 ( 2.000 5.010 -0.419) 5.411 3.646 ( -2.917 -5.037 -1.546) 6.023 3.815 ( 3.821 -14.508 3.284) 15.358 3.991 ( 3.839 4.975 5.474) 8.334 4.092 ( 6.477 -5.003 3.061) 8.738 4.350 ( 0.580 2.245 -1.059) 2.549 4.465 ( 0.704 -9.522 -0.719) 9.575 6.227 ( -1.900 4.829 3.738) 6.395 6.300 ( -1.432 -2.022 2.897) 3.813 6.459 ( 4.091 4.068 4.394) 7.252 6.524 ( 2.612 -0.756 8.307) 8.740 6.606 ( 0.564 -1.627 1.063) 2.023 6.647 ( 1.096 -4.182 4.705) 6.390 6.826 ( -0.765 3.691 2.026) 4.279 6.887 ( 0.125 -2.219 0.437) 2.265 7.071 ( -0.916 2.265 -0.944) 2.619 7.121 ( -1.039 -2.363 -0.241) 2.592 7.357 ( 2.274 6.668 -1.985) 7.319 7.433 ( -0.149 0.532 -2.816) 2.870 7.662 ( -2.729 2.358 -2.197) 4.223 7.699 ( -2.229 -2.188 -0.750) 3.212 7.832 ( 0.134 -0.151 3.548) 3.554 7.894 ( -1.661 -4.310 0.002) 4.619 8.125 ( -2.723 0.425 -6.253) 6.833 8.147 ( -4.740 -1.451 -6.272) 7.995 8.494 ( 1.479 0.333 -0.395) 1.566 8.515 ( 1.950 -1.630 -0.389) 2.571 8.808 ( -0.357 1.755 0.731) 1.934 8.840 ( 0.828 -1.449 1.677) 2.366 9.219 ( -1.711 1.257 -4.398) 4.884 9.232 ( -0.800 -0.202 -5.951) 6.008======================= Grid point 89 (47/116) =======================q-point: ( 0.25 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( -0.533 16.611 5.136) 17.395 1.814 ( 3.497 10.952 5.396) 12.700 1.934 ( 2.759 -2.247 5.047) 6.175 2.029 ( -3.589 -7.260 2.538) 8.488 2.080 ( -0.307 5.612 -3.709) 6.734 2.244 ( -2.607 -10.835 -0.955) 11.185 2.253 ( 0.773 1.612 -0.147) 1.794 2.385 ( 1.766 -10.179 1.673) 10.466 2.688 ( -3.369 7.421 -6.113) 10.188 2.780 ( -5.937 4.053 -1.066) 7.267 2.859 ( -1.389 -1.946 -5.821) 6.293 2.907 ( 1.386 0.083 -5.231) 5.412 2.982 ( -3.691 -0.797 0.919) 3.886 3.050 ( -6.416 -7.095 -3.777) 10.284 3.318 ( -4.209 4.163 4.077) 7.188 3.358 ( -1.834 -0.344 1.507) 2.399 3.467 ( 3.552 9.754 4.771) 11.424 3.620 ( 0.186 -4.262 -2.114) 4.761 3.700 ( 8.407 6.990 -0.743) 10.959 3.903 ( 4.238 -10.373 2.920) 11.580 4.057 ( 1.824 7.220 3.814) 8.367 4.187 ( 2.339 -5.612 1.110) 6.180 4.366 ( 0.977 3.974 -0.058) 4.092 4.486 ( 1.603 -8.065 -1.100) 8.296 6.202 ( -1.543 4.906 3.061) 5.985 6.271 ( -2.070 -1.385 1.952) 3.165 6.548 ( 3.337 1.989 3.832) 5.457 6.589 ( 1.678 0.837 8.882) 9.077 6.623 ( 0.650 -0.915 1.453) 1.836 6.664 ( -0.681 -2.014 3.095) 3.755 6.825 ( -0.237 3.357 4.009) 5.234 6.885 ( -0.229 -2.528 1.302) 2.853 7.064 ( -0.207 1.234 -0.314) 1.290 7.119 ( 1.596 -2.718 -0.486) 3.189 7.340 ( -2.809 6.377 -3.983) 8.027 7.436 ( 1.450 -0.362 -2.846) 3.215 7.604 ( -2.792 2.511 -0.346) 3.771 7.682 ( -0.480 -2.811 0.563) 2.906 7.808 ( -4.335 1.739 -0.243) 4.677 7.829 ( -4.163 -0.847 1.703) 4.577 8.045 ( -2.002 1.134 -4.963) 5.470 8.118 ( 2.495 -6.452 -4.125) 8.055 8.514 ( 0.985 0.967 -1.760) 2.237 8.542 ( 1.230 -1.646 -1.877) 2.783 8.789 ( -1.880 2.462 2.144) 3.767 8.842 ( -1.300 -2.742 2.409) 3.875 9.183 ( -0.560 1.207 -4.511) 4.704 9.202 ( -0.557 -0.883 -5.900) 5.992======================= Grid point 90 (48/116) =======================q-point: ( 0.38 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.757 ( 1.606 8.297 3.050) 8.985 1.857 ( -0.905 2.641 0.466) 2.831 1.967 ( -1.207 0.227 1.573) 1.995 1.980 ( -2.462 -3.273 4.397) 6.009 2.072 ( 0.478 4.780 -1.668) 5.085 2.171 ( -3.024 -2.333 -1.528) 4.114 2.288 ( 2.211 -0.393 1.017) 2.465 2.419 ( 0.302 -9.761 2.926) 10.195 2.617 ( -2.455 5.448 -3.043) 6.706 2.669 ( -3.719 6.846 -3.848) 8.690 2.754 ( -6.508 -3.139 -2.919) 7.793 2.886 ( -3.165 -9.103 -7.152) 12.001 2.941 ( -1.036 1.183 -0.085) 1.575 2.976 ( 1.695 -2.485 -1.257) 3.260 3.293 ( -0.867 4.270 5.402) 6.940 3.361 ( 1.170 -2.171 1.113) 2.706 3.548 ( 3.643 4.544 2.180) 6.219 3.623 ( 0.371 -3.064 -1.112) 3.281 3.866 ( 7.791 6.343 0.789) 10.077 3.984 ( 2.996 -4.295 0.911) 5.315 4.089 ( 0.886 5.967 3.078) 6.772 4.195 ( -0.741 -2.085 -1.397) 2.617 4.375 ( -0.398 4.578 1.816) 4.941 4.514 ( 1.426 -7.271 -0.912) 7.466 6.189 ( -0.557 4.199 3.168) 5.290 6.241 ( -1.236 -0.538 2.113) 2.506 6.599 ( 0.828 0.579 4.374) 4.490 6.627 ( -0.713 1.026 1.800) 2.191 6.632 ( 0.049 0.696 6.950) 6.985 6.653 ( -0.447 -2.241 1.218) 2.590 6.807 ( -2.812 5.221 1.250) 6.060 6.887 ( -0.493 -2.856 1.968) 3.503 7.062 ( 0.731 3.851 0.917) 4.025 7.185 ( 4.349 -6.855 -0.277) 8.123 7.290 ( -0.696 8.087 -1.038) 8.183 7.453 ( 1.111 -6.484 -1.365) 6.719 7.538 ( -4.280 4.563 -2.389) 6.697 7.610 ( -5.374 -1.501 -3.429) 6.549 7.738 ( -2.924 2.168 0.861) 3.741 7.784 ( 0.114 -1.998 2.391) 3.118 8.039 ( 0.990 4.484 -2.108) 5.053 8.168 ( 2.794 -8.163 -2.012) 8.859 8.528 ( 1.240 1.640 -2.124) 2.956 8.561 ( 1.396 -1.494 -2.055) 2.899 8.752 ( -2.468 2.291 2.068) 3.951 8.808 ( -2.481 -3.316 1.379) 4.365 9.173 ( 0.580 0.347 -4.186) 4.240 9.183 ( 0.305 -0.958 -5.143) 5.241======================= Grid point 91 (49/116) =======================q-point: (-0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( -3.404 0.706 0.194) 3.482 1.812 ( 1.152 -1.863 2.367) 3.225 1.897 ( -3.928 2.887 -1.498) 5.100 1.916 ( -5.583 1.122 -0.439) 5.712 2.095 ( 2.674 4.606 0.446) 5.344 2.168 ( 2.061 -0.676 0.612) 2.253 2.317 ( -0.188 -1.585 0.320) 1.627 2.380 ( -3.920 -4.353 0.254) 5.863 2.604 ( 1.128 0.623 0.149) 1.297 2.643 ( 2.477 5.513 -5.796) 8.374 2.669 ( 0.005 -1.262 -1.580) 2.023 2.839 ( 0.344 -8.671 -5.780) 10.426 2.938 ( 0.246 3.640 -0.415) 3.672 3.014 ( 2.215 -3.649 -0.468) 4.294 3.290 ( -0.873 4.026 4.555) 6.142 3.385 ( 0.509 -4.151 2.663) 4.958 3.608 ( 1.227 1.183 0.530) 1.785 3.627 ( 0.497 -1.365 1.377) 2.001 3.953 ( -0.256 4.018 0.879) 4.121 3.994 ( -1.935 1.970 -0.415) 2.792 4.119 ( 0.848 2.844 3.258) 4.407 4.190 ( 1.699 0.786 -2.387) 3.033 4.369 ( -0.375 5.159 2.828) 5.895 4.533 ( 0.632 -7.557 -0.525) 7.602 6.197 ( 0.380 3.940 4.107) 5.704 6.244 ( 0.814 -0.203 3.159) 3.269 6.589 ( -3.065 1.919 2.631) 4.472 6.609 ( -1.742 -0.225 3.153) 3.609 6.635 ( -0.328 0.326 1.851) 1.907 6.658 ( -0.218 -2.891 2.815) 4.041 6.729 ( -4.609 7.258 -1.509) 8.729 6.860 ( -2.296 -5.407 0.355) 5.885 7.110 ( 3.194 6.007 3.197) 7.517 7.243 ( 2.067 -3.202 -0.209) 3.817 7.323 ( 2.701 2.622 1.045) 3.906 7.418 ( -4.249 -0.891 -4.306) 6.115 7.498 ( 1.491 0.641 -0.703) 1.769 7.548 ( 1.231 -4.528 -1.332) 4.878 7.707 ( -1.120 4.560 1.433) 4.909 7.794 ( -0.446 -3.467 1.719) 3.895 8.049 ( 1.126 6.697 -2.175) 7.131 8.208 ( 1.883 -9.167 -1.350) 9.455 8.556 ( 1.927 1.816 -1.340) 2.968 8.584 ( 1.310 -0.845 -1.171) 1.950 8.706 ( -2.570 2.096 0.725) 3.394 8.762 ( -2.234 -3.436 -0.142) 4.101 9.174 ( 0.832 0.494 -4.136) 4.248 9.194 ( 1.759 -1.561 -3.742) 4.420======================= Grid point 92 (50/116) =======================q-point: (-0.38 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( -6.886 9.035 1.293) 11.433 1.787 ( -6.867 4.676 -0.019) 8.307 1.845 ( -0.908 0.145 -1.501) 1.761 1.873 ( 3.172 -7.348 0.329) 8.011 2.142 ( 0.827 3.949 0.858) 4.125 2.218 ( 2.202 -3.397 0.040) 4.049 2.272 ( -2.379 -0.559 -1.235) 2.739 2.339 ( -0.226 -4.990 -2.139) 5.433 2.658 ( 4.548 1.917 -0.162) 4.938 2.719 ( 5.526 5.541 -3.969) 8.774 2.728 ( 5.945 -3.489 -3.605) 7.779 2.861 ( 3.212 -6.000 -4.718) 8.281 2.948 ( 1.009 5.616 -0.747) 5.755 3.060 ( 2.722 -3.995 0.256) 4.841 3.285 ( -0.726 4.419 3.614) 5.755 3.397 ( 0.077 -4.970 3.631) 6.156 3.570 ( -5.294 4.184 3.424) 7.567 3.647 ( 0.453 -3.629 0.407) 3.680 3.890 ( -4.987 4.386 1.341) 6.775 3.931 ( -3.694 2.045 -1.283) 4.413 4.109 ( -2.945 4.016 3.415) 6.039 4.222 ( 0.727 -4.004 -1.192) 4.240 4.386 ( 1.069 5.241 2.858) 6.065 4.536 ( -0.283 -7.501 -0.077) 7.507 6.220 ( 0.529 4.702 5.197) 7.028 6.281 ( 1.594 -0.857 4.235) 4.606 6.511 ( -4.799 2.386 -0.057) 5.360 6.561 ( -3.916 -1.977 1.659) 4.690 6.629 ( -0.792 -0.082 -0.374) 0.880 6.652 ( -0.950 7.480 0.120) 7.541 6.658 ( -1.640 -0.889 2.479) 3.102 6.825 ( -0.999 -7.277 0.147) 7.347 7.176 ( 2.166 4.508 3.977) 6.389 7.264 ( -1.550 -2.775 3.485) 4.717 7.347 ( 1.424 3.519 -3.423) 5.112 7.379 ( 1.684 0.726 -5.938) 6.215 7.553 ( 4.231 1.861 1.791) 4.957 7.617 ( 3.281 -1.983 1.021) 3.967 7.693 ( 0.601 1.459 1.079) 1.911 7.772 ( -1.322 -3.197 -0.486) 3.494 8.098 ( 4.404 5.444 -0.485) 7.019 8.241 ( 2.136 -9.029 -0.486) 9.291 8.565 ( -1.479 1.581 -0.455) 2.213 8.595 ( -0.828 -1.217 -1.098) 1.836 8.671 ( -0.011 2.840 -1.350) 3.145 8.728 ( -0.745 -2.849 -2.022) 3.573 9.188 ( 1.662 1.410 -3.242) 3.906 9.225 ( 2.323 -2.308 -3.130) 4.529======================= Grid point 93 (51/116) =======================q-point: (-0.25 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( -2.984 15.754 1.222) 16.081 1.672 ( -4.559 9.888 2.002) 11.071 1.818 ( -1.655 -1.190 1.184) 2.357 1.960 ( 5.315 -11.439 0.083) 12.614 2.137 ( -0.493 3.541 -1.561) 3.901 2.221 ( -0.319 -4.985 -0.884) 5.073 2.271 ( 0.936 -0.153 -1.480) 1.758 2.333 ( 0.028 -6.325 -2.529) 6.812 2.749 ( 4.325 2.875 -1.197) 5.329 2.795 ( 2.912 -1.704 -1.362) 3.638 2.851 ( 6.966 4.471 -7.007) 10.845 2.923 ( 3.180 -2.636 -3.310) 5.293 2.981 ( 2.947 5.839 -1.606) 6.735 3.124 ( 3.398 -6.345 -1.594) 7.372 3.299 ( 1.887 7.894 3.628) 8.890 3.398 ( -2.027 4.166 0.975) 4.735 3.472 ( -2.573 2.137 9.273) 9.858 3.653 ( 0.467 -8.256 -0.490) 8.283 3.792 ( -5.429 4.499 2.169) 7.377 3.855 ( -4.227 -1.601 -0.762) 4.584 4.037 ( -4.980 4.637 3.231) 7.532 4.188 ( -4.220 -8.301 0.582) 9.331 4.404 ( -0.246 3.841 2.034) 4.353 4.520 ( -1.364 -7.288 0.329) 7.422 6.239 ( -0.198 4.855 5.696) 7.487 6.307 ( -0.355 -1.700 3.602) 3.999 6.431 ( -3.100 2.816 0.716) 4.249 6.486 ( -3.641 -2.194 1.580) 4.535 6.606 ( -0.998 1.408 -0.566) 1.817 6.635 ( -1.355 -1.459 2.776) 3.416 6.671 ( 2.311 6.152 0.233) 6.576 6.827 ( 1.009 -7.019 -0.100) 7.092 7.206 ( -0.152 1.435 3.339) 3.638 7.220 ( -2.795 0.297 1.064) 3.005 7.369 ( 0.193 3.715 -2.284) 4.365 7.400 ( 1.397 0.638 -3.755) 4.057 7.603 ( 1.035 4.452 -3.789) 5.937 7.676 ( 4.102 1.610 2.854) 5.250 7.755 ( 1.791 -3.619 0.387) 4.056 7.794 ( 5.493 -4.289 3.425) 7.765 8.196 ( 5.150 3.215 -0.537) 6.094 8.285 ( 1.859 -6.158 0.436) 6.447 8.503 ( -3.984 1.838 -1.209) 4.551 8.538 ( -3.730 -1.535 -2.007) 4.505 8.698 ( 2.502 1.835 -2.346) 3.890 8.730 ( 1.512 -1.425 -2.910) 3.575 9.218 ( 2.085 2.018 -2.773) 4.014 9.261 ( 2.038 -2.329 -2.961) 4.283======================= Grid point 94 (52/116) =======================q-point: (-0.12 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( -1.558 15.066 5.539) 16.128 1.654 ( 2.188 15.848 1.324) 16.053 1.800 ( -0.658 0.059 4.325) 4.375 2.058 ( 4.215 -10.410 -0.771) 11.257 2.130 ( 0.346 2.656 -2.951) 3.985 2.222 ( 0.674 -7.494 -0.734) 7.560 2.273 ( -0.194 -0.490 -1.933) 2.003 2.328 ( 0.214 -6.746 -2.004) 7.040 2.792 ( 0.528 5.607 -1.761) 5.900 2.843 ( 2.767 -1.017 -3.393) 4.495 2.923 ( 2.111 3.056 -5.194) 6.385 2.939 ( -0.246 2.269 -2.157) 3.141 3.045 ( 3.374 3.935 -1.948) 5.537 3.144 ( 0.028 -3.924 -2.754) 4.794 3.292 ( -1.674 15.720 3.204) 16.131 3.474 ( 7.589 4.911 2.950) 9.508 3.533 ( 4.464 -3.300 5.106) 7.542 3.654 ( -2.534 -4.533 3.456) 6.238 3.714 ( -1.333 -1.107 0.211) 1.746 3.763 ( -3.773 -2.882 -0.710) 4.800 3.948 ( -4.981 1.538 3.859) 6.486 4.072 ( -7.586 -9.513 2.147) 12.355 4.386 ( -1.774 2.307 0.891) 3.044 4.490 ( -1.663 -8.281 0.425) 8.457 6.247 ( -0.286 3.805 5.028) 6.312 6.299 ( -0.894 -1.352 3.728) 4.065 6.396 ( -1.151 3.088 1.982) 3.846 6.442 ( -1.546 -1.328 4.179) 4.650 6.595 ( -0.248 -0.617 1.273) 1.436 6.618 ( -0.922 -3.136 2.031) 3.848 6.739 ( 4.282 6.481 -0.059) 7.768 6.853 ( 1.456 -4.681 -0.135) 4.904 7.166 ( -2.981 1.603 0.361) 3.404 7.192 ( -1.841 -1.080 1.466) 2.589 7.339 ( -1.747 6.371 -1.663) 6.812 7.409 ( 0.584 -0.476 -2.100) 2.231 7.639 ( 3.407 2.842 -3.441) 5.614 7.727 ( 1.565 -4.094 0.054) 4.383 7.817 ( 2.611 2.243 1.674) 3.827 7.901 ( 3.604 -4.812 1.666) 6.239 8.262 ( 1.335 0.753 -2.134) 2.627 8.280 ( -2.845 -1.165 -0.219) 3.082 8.448 ( -0.619 0.530 -0.953) 1.253 8.473 ( -1.654 -1.600 -1.478) 2.735 8.748 ( 3.236 1.171 -2.329) 4.156 8.763 ( 2.445 -0.400 -2.557) 3.560 9.247 ( 1.492 1.890 -3.247) 4.042 9.280 ( 0.683 -1.535 -3.589) 3.963======================= Grid point 119 (53/116) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.031 ( 1.223 0.000 22.207) 22.241 1.141 ( -1.400 0.000 23.326) 23.368 1.766 ( -5.924 0.000 22.707) 23.467 2.024 ( -1.468 0.000 -7.986) 8.120 2.056 ( 2.871 0.000 11.864) 12.206 2.129 ( -0.050 0.000 1.098) 1.099 2.305 ( 0.749 0.000 0.680) 1.012 2.465 ( 0.695 0.000 -6.493) 6.530 2.681 ( -4.035 0.000 -3.213) 5.158 2.778 ( 6.644 0.000 1.257) 6.761 2.941 ( 0.785 0.000 -0.513) 0.938 2.974 ( 1.454 0.000 1.289) 1.943 3.122 ( 2.624 0.000 -1.260) 2.911 3.164 ( -1.817 0.000 1.074) 2.110 3.191 ( 3.496 0.000 0.937) 3.619 3.436 ( -3.251 0.000 0.465) 3.284 3.507 ( 0.287 0.000 -4.857) 4.866 3.591 ( -1.776 0.000 -2.672) 3.208 3.695 ( 2.220 0.000 10.565) 10.795 3.729 ( -2.259 0.000 2.717) 3.533 4.083 ( 0.372 0.000 -1.372) 1.422 4.325 ( -7.109 0.000 -5.446) 8.955 4.349 ( 3.372 0.000 -5.784) 6.695 4.826 ( 2.370 0.000 -12.860) 13.077 6.045 ( -2.790 0.000 3.627) 4.576 6.218 ( 2.477 0.000 -2.172) 3.295 6.505 ( -3.163 0.000 10.051) 10.537 6.554 ( 6.304 0.000 1.263) 6.430 6.631 ( -0.752 0.000 -4.145) 4.212 6.786 ( 6.656 0.000 16.517) 17.807 6.936 ( -4.575 0.000 4.671) 6.538 6.952 ( 7.279 0.000 -2.463) 7.684 6.981 ( 1.544 0.000 -0.277) 1.569 7.008 ( -1.274 0.000 -2.703) 2.988 7.150 ( 0.208 0.000 3.641) 3.646 7.236 ( -4.639 0.000 -5.801) 7.428 7.405 ( -3.212 0.000 -3.376) 4.660 7.800 ( -1.093 0.000 2.595) 2.815 7.930 ( -3.153 0.000 -11.719) 12.135 8.189 ( 2.323 0.000 5.082) 5.588 8.217 ( -1.369 0.000 -3.129) 3.415 8.375 ( 2.022 0.000 3.357) 3.919 8.460 ( 0.272 0.000 -3.972) 3.981 8.529 ( -4.970 0.000 2.526) 5.575 8.695 ( 2.151 0.000 -2.096) 3.003 8.817 ( 6.982 0.000 0.420) 6.994 8.940 ( 0.909 0.000 0.388) 0.988 9.146 ( -4.311 0.000 -2.663) 5.067======================= Grid point 120 (54/116) =======================q-point: ( 0.12 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 4.409 0.000 19.291) 19.788 1.281 ( 9.001 0.000 19.488) 21.466 1.791 ( 2.068 0.000 11.974) 12.152 1.953 ( -3.263 0.000 -8.310) 8.927 2.056 ( -0.824 0.000 -8.240) 8.281 2.277 ( 9.442 0.000 25.262) 26.969 2.327 ( 1.340 0.000 1.959) 2.374 2.440 ( -1.288 0.000 -6.207) 6.339 2.572 ( -6.198 0.000 -1.482) 6.372 2.889 ( 3.542 0.000 3.077) 4.692 2.937 ( -0.632 0.000 0.394) 0.745 3.053 ( 6.482 0.000 -2.031) 6.793 3.091 ( -4.170 0.000 0.009) 4.170 3.198 ( 3.356 0.000 -2.056) 3.935 3.286 ( 5.483 0.000 1.835) 5.782 3.331 ( -6.142 0.000 1.365) 6.292 3.492 ( -2.319 0.000 -0.190) 2.327 3.586 ( 0.604 0.000 -3.725) 3.774 3.675 ( -3.289 0.000 1.543) 3.633 3.743 ( -0.679 0.000 10.968) 10.989 4.097 ( 1.072 0.000 -2.966) 3.154 4.194 ( -2.493 0.000 -10.441) 10.735 4.328 ( -4.275 0.000 -4.075) 5.906 4.793 ( -2.178 0.000 -10.967) 11.181 6.021 ( -0.592 0.000 3.028) 3.085 6.263 ( 2.192 0.000 -0.154) 2.197 6.467 ( -3.371 0.000 6.867) 7.649 6.617 ( 0.435 0.000 -4.074) 4.097 6.622 ( 0.584 0.000 1.574) 1.679 6.854 ( -4.076 0.000 6.509) 7.680 6.948 ( 3.333 0.000 14.783) 15.154 6.970 ( -1.806 0.000 -2.988) 3.492 7.012 ( 1.936 0.000 1.192) 2.274 7.046 ( 2.384 0.000 -3.900) 4.571 7.097 ( -6.871 0.000 -5.274) 8.661 7.225 ( 6.690 0.000 2.433) 7.119 7.398 ( 3.622 0.000 -0.250) 3.631 7.759 ( -3.959 0.000 5.634) 6.886 7.782 ( -7.762 0.000 -12.956) 15.103 8.156 ( -5.067 0.000 8.998) 10.326 8.165 ( -2.816 0.000 -2.925) 4.061 8.442 ( -0.498 0.000 -5.146) 5.170 8.463 ( 4.928 0.000 2.357) 5.463 8.501 ( 0.202 0.000 -3.323) 3.329 8.759 ( 3.572 0.000 -0.918) 3.688 8.936 ( 3.296 0.000 -3.250) 4.629 8.978 ( 3.809 0.000 4.860) 6.175 9.060 ( -2.519 0.000 -5.762) 6.289======================= Grid point 121 (55/116) =======================q-point: ( 0.25 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( 12.446 0.000 12.112) 17.367 1.544 ( 12.502 0.000 13.006) 18.041 1.862 ( 2.550 0.000 4.807) 5.442 1.866 ( -3.287 0.000 -7.349) 8.051 2.017 ( -1.164 0.000 -5.780) 5.896 2.370 ( 1.513 0.000 3.624) 3.927 2.395 ( -0.689 0.000 -4.988) 5.035 2.448 ( -6.229 0.000 0.976) 6.305 2.569 ( 13.374 0.000 20.615) 24.573 2.861 ( -8.294 0.000 -0.892) 8.341 2.927 ( -0.516 0.000 0.710) 0.877 3.017 ( -2.785 0.000 2.690) 3.872 3.198 ( 8.665 0.000 -4.085) 9.580 3.208 ( -1.296 0.000 1.293) 1.830 3.300 ( 2.555 0.000 1.026) 2.754 3.381 ( 2.026 0.000 3.995) 4.479 3.411 ( -6.309 0.000 5.255) 8.211 3.556 ( -1.211 0.000 -2.345) 2.639 3.641 ( -0.496 0.000 -3.405) 3.441 3.721 ( -3.933 0.000 7.853) 8.783 4.070 ( -0.663 0.000 -5.429) 5.470 4.170 ( -10.654 0.000 -2.625) 10.972 4.231 ( 6.905 0.000 -11.221) 13.175 4.700 ( -4.494 0.000 -8.185) 9.338 6.038 ( 1.547 0.000 2.511) 2.949 6.278 ( -2.014 0.000 4.738) 5.148 6.431 ( -0.426 0.000 0.374) 0.567 6.581 ( -5.395 0.000 6.460) 8.416 6.625 ( 1.388 0.000 -4.465) 4.675 6.832 ( 0.435 0.000 4.760) 4.780 6.919 ( -2.449 0.000 -3.208) 4.036 6.988 ( -2.873 0.000 -2.001) 3.501 7.007 ( -0.216 0.000 10.866) 10.868 7.036 ( -1.218 0.000 -3.748) 3.941 7.053 ( 1.127 0.000 2.827) 3.043 7.384 ( 8.090 0.000 1.465) 8.221 7.517 ( 7.380 0.000 0.133) 7.381 7.592 ( -7.656 0.000 -13.083) 15.158 7.699 ( -3.783 0.000 8.946) 9.713 8.085 ( -4.699 0.000 7.143) 8.550 8.098 ( -3.356 0.000 -2.022) 3.918 8.420 ( 0.062 0.000 -6.626) 6.626 8.484 ( -0.962 0.000 -2.764) 2.926 8.554 ( 3.574 0.000 1.720) 3.967 8.778 ( -1.606 0.000 2.851) 3.272 8.945 ( -0.439 0.000 -2.219) 2.262 9.051 ( 3.661 0.000 -10.607) 11.221 9.071 ( 3.465 0.000 2.411) 4.221======================= Grid point 122 (56/116) =======================q-point: ( 0.38 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( 10.611 0.000 7.043) 12.736 1.782 ( 2.189 0.000 4.652) 5.141 1.806 ( 4.850 0.000 -1.006) 4.953 1.891 ( -1.530 0.000 -0.450) 1.595 2.018 ( 4.877 0.000 -0.185) 4.880 2.336 ( -1.935 0.000 -4.185) 4.611 2.353 ( -3.766 0.000 2.969) 4.795 2.456 ( 2.844 0.000 5.341) 6.051 2.667 ( -7.583 0.000 -1.876) 7.811 2.840 ( 6.782 0.000 5.215) 8.555 2.938 ( -5.897 0.000 0.547) 5.922 2.944 ( 4.203 0.000 6.560) 7.791 3.213 ( -3.651 0.000 7.730) 8.549 3.276 ( -2.393 0.000 -0.797) 2.522 3.298 ( -1.213 0.000 5.916) 6.039 3.369 ( 1.825 0.000 0.734) 1.967 3.395 ( 1.131 0.000 2.946) 3.155 3.563 ( -1.129 0.000 -7.361) 7.447 3.642 ( 4.717 0.000 -1.579) 4.974 3.657 ( -3.459 0.000 2.531) 4.286 3.946 ( -10.378 0.000 -0.544) 10.393 4.070 ( 1.704 0.000 -4.897) 5.185 4.342 ( 6.963 0.000 -8.827) 11.243 4.591 ( -4.388 0.000 -6.365) 7.731 6.088 ( 2.733 0.000 2.418) 3.649 6.221 ( -4.506 0.000 6.258) 7.711 6.446 ( 0.508 0.000 -2.253) 2.310 6.491 ( -4.583 0.000 9.471) 10.522 6.643 ( 1.730 0.000 -4.816) 5.118 6.865 ( 1.004 0.000 3.650) 3.785 6.871 ( -1.729 0.000 -3.763) 4.141 6.961 ( -0.324 0.000 0.826) 0.887 7.005 ( -2.627 0.000 8.909) 9.289 7.022 ( 1.620 0.000 -1.739) 2.377 7.066 ( -0.176 0.000 1.995) 2.003 7.424 ( -5.907 0.000 -11.409) 12.848 7.504 ( 3.489 0.000 -2.113) 4.078 7.656 ( 6.308 0.000 -2.463) 6.772 7.667 ( -2.111 0.000 10.175) 10.392 8.005 ( -5.251 0.000 6.091) 8.042 8.039 ( -1.855 0.000 -0.634) 1.960 8.413 ( 1.037 0.000 -6.580) 6.662 8.463 ( -0.320 0.000 -0.555) 0.640 8.603 ( 1.078 0.000 0.177) 1.093 8.759 ( -0.433 0.000 3.219) 3.248 8.916 ( -1.788 0.000 -2.551) 3.115 9.111 ( 4.701 0.000 -9.410) 10.519 9.113 ( 0.399 0.000 0.723) 0.825======================= Grid point 123 (57/116) =======================q-point: (-0.50 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( -8.030 0.000 2.482) 8.405 1.724 ( -4.161 0.000 0.829) 4.243 1.868 ( 0.290 0.000 4.653) 4.662 1.938 ( 2.952 0.000 3.406) 4.507 2.191 ( 8.030 0.000 -1.986) 8.272 2.293 ( -1.273 0.000 -3.979) 4.177 2.351 ( 4.691 0.000 6.633) 8.124 2.436 ( -1.878 0.000 -2.266) 2.943 2.691 ( 4.452 0.000 5.891) 7.384 2.823 ( -3.931 0.000 1.850) 4.345 2.829 ( -5.610 0.000 -0.964) 5.692 2.994 ( -5.549 0.000 3.030) 6.322 3.095 ( -7.019 0.000 7.350) 10.163 3.307 ( -6.631 0.000 4.891) 8.240 3.325 ( 5.997 0.000 0.088) 5.998 3.372 ( 3.349 0.000 8.167) 8.827 3.391 ( 0.892 0.000 -2.068) 2.252 3.495 ( -2.403 0.000 -4.394) 5.008 3.618 ( -0.748 0.000 -0.751) 1.060 3.783 ( 4.404 0.000 -3.266) 5.483 3.839 ( 2.976 0.000 0.222) 2.984 4.089 ( 1.149 0.000 -3.923) 4.088 4.446 ( 5.585 0.000 -5.743) 8.011 4.513 ( -1.391 0.000 -7.406) 7.536 6.146 ( 2.276 0.000 3.137) 3.876 6.159 ( -3.311 0.000 5.457) 6.383 6.388 ( -4.445 0.000 5.556) 7.115 6.498 ( 0.990 0.000 3.424) 3.564 6.657 ( 0.846 0.000 -4.966) 5.038 6.826 ( -1.500 0.000 -5.756) 5.948 6.865 ( -3.234 0.000 8.169) 8.786 6.967 ( -2.107 0.000 0.987) 2.327 6.979 ( 2.165 0.000 0.827) 2.318 7.068 ( -0.018 0.000 2.706) 2.706 7.105 ( 6.346 0.000 2.691) 6.893 7.307 ( -3.188 0.000 -9.312) 9.843 7.486 ( -3.858 0.000 -6.319) 7.404 7.672 ( -0.372 0.000 10.664) 10.670 7.734 ( 2.941 0.000 -3.752) 4.767 7.934 ( -3.542 0.000 7.238) 8.058 8.042 ( 2.462 0.000 -0.308) 2.481 8.424 ( 1.781 0.000 -5.764) 6.033 8.478 ( 1.785 0.000 0.836) 1.971 8.594 ( -1.720 0.000 -1.840) 2.518 8.782 ( 1.666 0.000 2.696) 3.169 8.866 ( -2.653 0.000 -2.653) 3.751 9.094 ( -2.196 0.000 -0.753) 2.321 9.173 ( 3.919 0.000 -7.003) 8.025======================= Grid point 124 (58/116) =======================q-point: (-0.38 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( -15.016 0.000 4.516) 15.680 1.619 ( -8.057 0.000 5.337) 9.664 1.892 ( 0.286 0.000 6.654) 6.660 1.960 ( 0.780 0.000 -1.972) 2.121 2.232 ( -0.226 0.000 -3.107) 3.115 2.268 ( -0.210 0.000 -3.637) 3.644 2.455 ( 3.364 0.000 -0.938) 3.492 2.505 ( -4.245 0.000 12.546) 13.245 2.613 ( -7.642 0.000 1.089) 7.719 2.655 ( -2.643 0.000 3.864) 4.682 2.898 ( -4.329 0.000 2.164) 4.840 2.940 ( 6.403 0.000 10.031) 11.900 3.045 ( 2.693 0.000 1.541) 3.103 3.125 ( -7.212 0.000 -4.625) 8.568 3.360 ( -2.803 0.000 2.905) 4.037 3.364 ( -5.653 0.000 0.302) 5.661 3.470 ( 3.884 0.000 1.874) 4.313 3.592 ( 10.229 0.000 1.660) 10.363 3.615 ( 0.400 0.000 -0.937) 1.019 3.793 ( 2.199 0.000 -5.114) 5.567 3.971 ( 5.378 0.000 -1.331) 5.540 4.091 ( 0.133 0.000 -3.082) 3.085 4.518 ( 4.999 0.000 -11.210) 12.275 4.519 ( 2.983 0.000 -3.584) 4.663 6.127 ( -1.214 0.000 4.561) 4.720 6.181 ( -0.044 0.000 4.373) 4.373 6.330 ( -3.131 0.000 6.067) 6.828 6.526 ( 0.905 0.000 5.356) 5.432 6.655 ( 0.702 0.000 -4.562) 4.615 6.782 ( -7.388 0.000 10.495) 12.834 6.785 ( -1.052 0.000 -7.380) 7.455 6.941 ( -0.436 0.000 -2.712) 2.747 7.036 ( 2.832 0.000 -0.797) 2.942 7.082 ( 0.513 0.000 2.391) 2.445 7.253 ( 3.060 0.000 -2.806) 4.152 7.261 ( 5.052 0.000 1.647) 5.313 7.359 ( -6.708 0.000 -5.402) 8.612 7.707 ( 1.020 0.000 10.177) 10.228 7.780 ( 3.540 0.000 -3.627) 5.068 7.907 ( -1.253 0.000 7.242) 7.350 8.114 ( 4.637 0.000 -1.767) 4.963 8.446 ( 1.719 0.000 -4.454) 4.775 8.527 ( 2.633 0.000 1.307) 2.939 8.530 ( -3.880 0.000 -3.541) 5.254 8.800 ( -3.448 0.000 -2.291) 4.139 8.821 ( 1.280 0.000 1.420) 1.912 9.034 ( -3.311 0.000 -2.022) 3.880 9.221 ( 2.662 0.000 -5.236) 5.874======================= Grid point 125 (59/116) =======================q-point: (-0.25 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( -14.280 0.000 10.322) 17.620 1.433 ( -13.252 0.000 12.469) 18.196 1.917 ( 0.426 0.000 8.192) 8.203 1.996 ( 3.978 0.000 -6.775) 7.856 2.194 ( -6.954 0.000 6.784) 9.714 2.236 ( -14.382 0.000 11.347) 18.319 2.267 ( 1.037 0.000 -2.894) 3.074 2.475 ( -2.955 0.000 1.756) 3.437 2.558 ( 4.001 0.000 -3.343) 5.214 2.773 ( 2.948 0.000 3.843) 4.843 2.838 ( 0.085 0.000 0.519) 0.526 3.004 ( 1.646 0.000 4.602) 4.887 3.018 ( -3.300 0.000 -1.531) 3.638 3.210 ( 8.365 0.000 2.483) 8.725 3.245 ( -5.638 0.000 -1.109) 5.746 3.309 ( -2.145 0.000 3.667) 4.248 3.530 ( 2.076 0.000 -0.418) 2.118 3.618 ( -0.201 0.000 1.451) 1.465 3.706 ( 1.743 0.000 1.743) 2.465 3.827 ( -1.080 0.000 -5.472) 5.578 4.067 ( 8.431 0.000 -5.539) 10.088 4.085 ( 0.047 0.000 -1.975) 1.975 4.531 ( -1.045 0.000 -2.866) 3.051 4.634 ( 9.293 0.000 -13.188) 16.133 6.140 ( 1.481 0.000 2.358) 2.785 6.162 ( -3.006 0.000 4.760) 5.629 6.310 ( -0.100 0.000 7.308) 7.309 6.569 ( 1.732 0.000 8.962) 9.128 6.659 ( -7.627 0.000 10.168) 12.711 6.674 ( 1.712 0.000 -2.454) 2.992 6.753 ( 0.778 0.000 -8.377) 8.413 6.935 ( 0.521 0.000 -2.136) 2.199 7.057 ( -0.068 0.000 -2.554) 2.555 7.085 ( -1.235 0.000 0.902) 1.529 7.228 ( -5.322 0.000 -0.734) 5.372 7.275 ( 2.217 0.000 -3.240) 3.926 7.412 ( 6.123 0.000 2.594) 6.650 7.755 ( 1.306 0.000 7.323) 7.438 7.860 ( 5.474 0.000 -4.433) 7.044 7.937 ( 2.740 0.000 8.134) 8.583 8.193 ( 3.774 0.000 -3.223) 4.963 8.442 ( -3.072 0.000 -0.345) 3.091 8.461 ( -0.078 0.000 -5.138) 5.138 8.577 ( 2.009 0.000 1.803) 2.700 8.729 ( -2.779 0.000 -2.117) 3.494 8.819 ( -1.969 0.000 -0.856) 2.147 8.969 ( -2.424 0.000 -2.494) 3.478 9.242 ( 0.652 0.000 -4.116) 4.167======================= Grid point 126 (60/116) =======================q-point: (-0.12 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.991 ( -4.768 0.000 19.000) 19.589 1.219 ( -11.764 0.000 19.961) 23.170 1.913 ( -11.661 0.000 15.633) 19.503 1.980 ( -3.373 0.000 26.411) 26.626 2.042 ( 1.968 0.000 -7.847) 8.090 2.164 ( -1.295 0.000 -7.822) 7.928 2.288 ( 1.227 0.000 -0.830) 1.482 2.453 ( 1.230 0.000 -4.531) 4.695 2.651 ( 5.925 0.000 -0.839) 5.984 2.745 ( -2.291 0.000 -2.425) 3.337 2.906 ( 2.694 0.000 2.494) 3.671 2.975 ( -1.368 0.000 1.382) 1.945 3.059 ( 3.200 0.000 0.972) 3.345 3.168 ( -1.530 0.000 -0.611) 1.647 3.216 ( -3.432 0.000 1.875) 3.910 3.401 ( 5.575 0.000 1.670) 5.819 3.540 ( -0.776 0.000 -3.878) 3.955 3.631 ( 1.048 0.000 7.316) 7.390 3.685 ( -5.058 0.000 -5.665) 7.594 3.751 ( -1.979 0.000 3.543) 4.058 4.083 ( 0.083 0.000 -0.926) 0.929 4.240 ( 9.273 0.000 -7.106) 11.682 4.461 ( -5.209 0.000 -3.383) 6.212 4.766 ( 7.297 0.000 -13.428) 15.283 6.103 ( -3.992 0.000 4.239) 5.823 6.180 ( 2.222 0.000 -1.854) 2.893 6.394 ( 6.808 0.000 7.709) 10.285 6.557 ( -5.409 0.000 10.602) 11.902 6.647 ( 3.354 0.000 13.817) 14.218 6.664 ( -1.244 0.000 -4.010) 4.199 6.816 ( 6.783 0.000 -4.179) 7.967 6.950 ( 1.418 0.000 -0.761) 1.609 7.023 ( -4.575 0.000 -0.549) 4.607 7.037 ( -1.029 0.000 -2.385) 2.598 7.165 ( -2.218 0.000 3.917) 4.501 7.291 ( -0.084 0.000 -4.143) 4.143 7.470 ( -0.665 0.000 -2.387) 2.478 7.791 ( 0.847 0.000 3.637) 3.735 7.942 ( 3.897 0.000 -7.358) 8.326 8.057 ( 7.009 0.000 7.314) 10.131 8.227 ( 0.922 0.000 -3.884) 3.992 8.393 ( -3.003 0.000 1.530) 3.371 8.450 ( 0.938 0.000 -2.612) 2.776 8.604 ( -0.705 0.000 3.652) 3.719 8.717 ( 2.635 0.000 -1.311) 2.943 8.735 ( -5.358 0.000 -3.281) 6.283 8.935 ( -0.483 0.000 -1.525) 1.600 9.219 ( -2.184 0.000 -3.068) 3.766======================= Grid point 127 (61/116) =======================q-point: ( 0.00 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.164 ( 2.263 12.562 19.448) 23.263 1.247 ( -0.924 9.901 18.766) 21.238 1.867 ( -4.966 7.698 12.085) 15.165 1.969 ( -0.176 -1.602 -4.545) 4.822 2.105 ( 2.563 -0.198 14.898) 15.118 2.141 ( -0.758 2.743 -6.083) 6.715 2.386 ( -0.497 8.482 4.498) 9.614 2.485 ( 1.155 1.749 -5.187) 5.594 2.674 ( -0.420 -1.304 -2.703) 3.031 2.740 ( 2.976 -2.931 0.669) 4.230 2.863 ( -0.636 -6.461 -0.132) 6.493 2.977 ( 2.579 0.007 0.886) 2.727 3.006 ( 1.784 -6.969 -0.664) 7.224 3.173 ( 1.877 -0.489 1.046) 2.204 3.222 ( 0.234 0.865 -1.742) 1.959 3.444 ( -1.891 0.822 0.694) 2.176 3.532 ( -1.929 1.446 -4.214) 4.855 3.597 ( -2.454 0.701 -2.019) 3.254 3.735 ( -1.861 1.199 5.467) 5.899 3.746 ( 3.375 4.246 7.195) 9.010 4.080 ( 0.409 -0.388 -0.599) 0.823 4.265 ( -3.230 -4.652 -4.474) 7.217 4.355 ( -0.978 -0.561 -4.756) 4.888 4.766 ( 2.350 -5.518 -10.458) 12.056 6.108 ( -3.017 5.679 2.947) 7.074 6.257 ( 2.148 3.156 -1.678) 4.170 6.504 ( -2.385 -0.451 10.081) 10.369 6.573 ( 5.607 2.257 0.990) 6.124 6.657 ( -0.362 1.718 -2.859) 3.355 6.765 ( 4.539 -1.443 14.103) 14.886 6.868 ( 1.547 -3.696 2.891) 4.941 6.939 ( 1.884 -1.840 -0.254) 2.646 7.015 ( -1.475 2.998 0.814) 3.439 7.082 ( 1.155 4.115 -2.672) 5.041 7.191 ( 0.413 2.904 0.884) 3.064 7.254 ( -2.846 3.028 -3.693) 5.559 7.410 ( -3.578 0.986 -3.868) 5.360 7.795 ( -0.799 -0.683 1.965) 2.228 7.925 ( -2.316 -0.670 -10.805) 11.070 8.137 ( 0.262 -4.309 3.982) 5.873 8.193 ( 2.085 -2.994 -2.360) 4.345 8.301 ( -5.613 -4.988 5.272) 9.175 8.456 ( 0.146 -0.326 -3.678) 3.695 8.532 ( 0.398 -0.673 0.179) 0.802 8.703 ( 3.032 1.013 -1.723) 3.632 8.823 ( 6.362 0.175 1.176) 6.472 8.990 ( -0.122 4.231 -3.259) 5.342 9.156 ( -3.880 0.903 -3.026) 5.003======================= Grid point 128 (62/116) =======================q-point: ( 0.12 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( 2.760 11.760 16.078) 20.110 1.359 ( 7.309 7.768 16.525) 19.668 1.863 ( 0.933 5.748 7.828) 9.756 1.934 ( -1.484 -0.528 -7.533) 7.696 2.096 ( -1.564 2.510 -6.428) 7.076 2.222 ( 3.613 -2.717 11.635) 12.483 2.422 ( 2.046 5.217 2.456) 6.118 2.492 ( 2.164 5.903 3.764) 7.328 2.601 ( -4.506 2.721 -3.140) 6.129 2.825 ( 1.013 -6.076 2.031) 6.486 2.846 ( 1.544 -7.875 0.737) 8.059 3.024 ( -0.325 -5.575 0.307) 5.593 3.059 ( 5.516 0.247 -0.556) 5.550 3.187 ( 0.194 0.252 -2.693) 2.711 3.248 ( 0.755 -3.537 0.819) 3.708 3.383 ( -2.795 3.353 1.991) 4.798 3.485 ( -3.284 -0.522 0.725) 3.403 3.567 ( -0.933 -1.693 -2.242) 2.960 3.687 ( -2.990 0.899 1.570) 3.494 3.814 ( 0.664 6.475 8.954) 11.070 4.095 ( 0.489 -0.363 -1.954) 2.047 4.174 ( -0.808 -1.788 -8.554) 8.776 4.323 ( -2.845 -0.504 -3.664) 4.666 4.749 ( -1.289 -4.354 -8.924) 10.013 6.071 ( -1.391 4.760 2.682) 5.638 6.296 ( 1.494 2.751 0.796) 3.230 6.480 ( -2.277 1.231 5.880) 6.424 6.628 ( -0.082 2.130 -0.701) 2.244 6.670 ( 2.473 2.073 -0.941) 3.362 6.834 ( -3.368 -1.306 4.300) 5.616 6.855 ( 0.016 -4.033 9.734) 10.537 6.983 ( 0.591 -1.068 3.269) 3.489 7.041 ( 2.985 1.022 -0.490) 3.193 7.090 ( -0.789 3.197 -3.147) 4.555 7.150 ( -3.596 5.040 -3.026) 6.891 7.248 ( 3.683 1.575 1.961) 4.460 7.398 ( 3.830 1.307 -0.868) 4.139 7.753 ( -4.174 -1.144 -1.934) 4.740 7.795 ( -6.680 1.406 -6.658) 9.536 8.122 ( -2.321 -3.436 5.529) 6.911 8.141 ( -5.546 -2.092 0.647) 5.963 8.331 ( 5.137 -8.494 2.022) 10.131 8.439 ( -0.172 -0.354 -6.146) 6.158 8.544 ( 0.203 0.649 -1.261) 1.433 8.765 ( 3.013 0.594 0.134) 3.074 8.950 ( 5.992 -0.617 -1.180) 6.138 8.985 ( -0.409 2.295 -0.880) 2.491 9.076 ( -2.337 1.365 -4.978) 5.666======================= Grid point 129 (63/116) =======================q-point: ( 0.25 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.409 ( 10.066 6.746 10.496) 16.031 1.572 ( 9.584 3.800 11.926) 15.765 1.870 ( -2.098 0.896 -5.356) 5.822 1.921 ( 2.136 4.716 2.475) 5.738 2.045 ( -2.079 2.333 -4.991) 5.889 2.291 ( 1.739 -4.553 6.490) 8.116 2.402 ( -1.875 0.726 -4.105) 4.571 2.491 ( -4.707 3.410 -0.794) 5.866 2.669 ( 7.211 4.312 10.997) 13.840 2.773 ( -2.653 -4.712 -1.132) 5.525 2.914 ( 2.124 -4.945 2.633) 5.992 2.999 ( -1.954 -1.767 3.772) 4.601 3.133 ( -4.129 -5.608 -1.571) 7.140 3.161 ( 2.955 -2.333 -2.670) 4.616 3.252 ( 1.154 -3.548 -0.524) 3.768 3.388 ( 0.831 0.849 5.020) 5.159 3.411 ( -4.374 0.291 5.055) 6.691 3.551 ( 1.498 0.158 -2.187) 2.656 3.650 ( -1.043 0.115 -1.795) 2.079 3.817 ( -2.279 8.195 6.081) 10.456 4.069 ( -0.231 -0.209 -4.022) 4.034 4.192 ( -4.679 1.710 -2.674) 5.654 4.251 ( 3.548 2.063 -7.883) 8.888 4.678 ( -3.660 -2.400 -6.793) 8.081 6.073 ( 0.866 3.458 2.544) 4.379 6.293 ( -2.807 1.263 5.068) 5.930 6.467 ( 0.683 3.600 -0.407) 3.687 6.619 ( -1.187 2.002 1.102) 2.575 6.672 ( -2.456 5.255 0.768) 5.851 6.796 ( -0.115 -2.958 3.566) 4.635 6.866 ( -1.129 -2.898 5.433) 6.261 6.980 ( -1.021 -2.643 -0.148) 2.837 7.022 ( -2.516 2.951 -0.622) 3.928 7.072 ( 0.051 3.932 0.594) 3.977 7.136 ( -0.063 5.468 1.500) 5.670 7.351 ( 6.096 -3.569 1.633) 7.250 7.523 ( 7.768 1.586 -0.132) 7.929 7.596 ( -7.609 0.404 -12.358) 14.519 7.716 ( -2.745 0.797 6.537) 7.134 8.034 ( -5.630 -3.405 4.173) 7.792 8.093 ( -2.511 -1.643 1.633) 3.416 8.394 ( 0.878 -4.041 -2.473) 4.818 8.441 ( 1.825 -2.492 -4.144) 5.168 8.541 ( 0.443 -0.738 -0.708) 1.115 8.791 ( -0.926 0.773 3.153) 3.376 8.954 ( -1.803 0.408 -1.870) 2.629 9.027 ( 3.725 -1.336 -8.230) 9.132 9.079 ( 2.665 0.298 -1.426) 3.038======================= Grid point 130 (64/116) =======================q-point: ( 0.38 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( 10.353 4.437 5.540) 12.552 1.756 ( 6.913 -1.963 6.979) 10.017 1.817 ( -1.580 1.940 -2.345) 3.429 1.940 ( -1.733 3.760 -1.788) 4.510 2.030 ( 3.362 1.118 0.866) 3.647 2.316 ( -0.946 -2.573 0.155) 2.746 2.365 ( -1.589 0.957 1.797) 2.582 2.433 ( -0.501 -0.257 2.737) 2.794 2.594 ( -7.262 -5.601 -0.881) 9.213 2.848 ( 1.065 -0.628 0.144) 1.245 2.921 ( -4.062 -1.643 -0.250) 4.389 2.993 ( -0.418 0.181 4.751) 4.773 3.055 ( -2.566 -11.305 4.721) 12.517 3.186 ( 3.066 -8.435 -2.359) 9.280 3.265 ( 0.358 0.004 3.524) 3.543 3.344 ( -1.774 -0.320 0.601) 1.900 3.466 ( 3.293 4.149 6.171) 8.133 3.609 ( 0.984 3.169 -5.298) 6.252 3.648 ( 5.085 1.163 -1.113) 5.334 3.775 ( -2.666 8.875 1.962) 9.472 4.000 ( -9.696 5.348 1.478) 11.172 4.103 ( 1.416 2.464 -2.084) 3.524 4.346 ( 6.052 0.412 -7.576) 9.706 4.587 ( -3.530 -0.551 -5.642) 6.678 6.114 ( 2.537 2.629 2.740) 4.567 6.235 ( -3.984 1.468 5.784) 7.176 6.488 ( 0.889 3.900 -2.567) 4.753 6.558 ( -5.250 5.774 8.132) 11.271 6.648 ( 0.184 0.886 -3.086) 3.216 6.813 ( 0.277 -3.626 -0.179) 3.641 6.862 ( -0.236 -0.971 5.940) 6.024 6.945 ( -1.468 -2.223 -2.242) 3.482 7.029 ( 2.276 2.720 3.676) 5.108 7.060 ( -1.644 4.147 2.846) 5.291 7.129 ( -0.604 4.478 0.230) 4.524 7.429 ( -5.998 0.560 -10.896) 12.450 7.458 ( 3.863 -4.297 -1.638) 6.006 7.639 ( 2.359 1.629 3.778) 4.742 7.726 ( 2.980 1.699 2.087) 4.016 7.946 ( -4.474 -4.206 4.694) 7.729 8.032 ( -3.764 -1.384 1.669) 4.344 8.396 ( 0.912 -1.722 -5.468) 5.804 8.460 ( 1.326 -0.905 -0.408) 1.656 8.560 ( 1.173 -2.925 -0.987) 3.302 8.768 ( -1.743 0.519 3.071) 3.569 8.912 ( -2.224 -0.784 -2.473) 3.417 9.075 ( 2.963 -2.106 -6.594) 7.530 9.121 ( 2.201 -0.318 -2.895) 3.651======================= Grid point 131 (65/116) =======================q-point: (-0.50 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.674 ( -7.343 2.541 1.816) 7.979 1.772 ( -4.294 4.265 1.237) 6.177 1.847 ( 0.328 -1.507 4.068) 4.350 1.974 ( 2.836 3.041 3.418) 5.382 2.168 ( 9.367 -2.922 -1.572) 9.937 2.282 ( -1.720 -1.904 -1.222) 2.842 2.351 ( 0.310 -0.029 4.456) 4.467 2.419 ( -0.334 -1.110 -1.699) 2.057 2.554 ( -0.527 -9.185 4.273) 10.144 2.769 ( -4.136 -4.532 1.453) 6.305 2.838 ( -2.988 0.677 -0.231) 3.072 2.961 ( -2.246 -3.440 1.206) 4.281 3.022 ( -2.368 -7.527 1.097) 7.966 3.202 ( -4.619 -3.612 5.430) 7.991 3.315 ( 3.225 -5.806 -5.757) 8.789 3.396 ( 5.321 1.656 0.350) 5.584 3.497 ( -0.321 6.379 5.204) 8.239 3.599 ( 0.439 8.662 0.125) 8.674 3.694 ( -2.768 8.060 -0.708) 8.551 3.796 ( 1.287 2.749 -0.872) 3.158 3.871 ( 1.974 3.059 1.674) 4.007 4.130 ( 0.996 3.135 -1.653) 3.682 4.428 ( 3.865 -1.420 -4.290) 5.946 4.532 ( 0.065 1.501 -6.905) 7.067 6.175 ( 2.045 2.550 4.281) 5.386 6.187 ( -1.875 2.848 4.458) 5.613 6.439 ( -4.794 4.692 2.920) 7.316 6.528 ( -0.611 2.707 3.700) 4.625 6.640 ( -0.303 -0.955 -2.514) 2.706 6.801 ( -0.800 -2.267 -2.612) 3.550 6.866 ( -2.584 -0.712 9.543) 9.912 6.933 ( 1.019 -1.434 -3.283) 3.725 7.035 ( -0.897 4.058 1.197) 4.324 7.107 ( 2.366 3.076 3.318) 5.106 7.136 ( 3.584 3.066 1.441) 4.931 7.310 ( -3.368 0.453 -8.466) 9.122 7.473 ( -1.737 -1.324 -5.719) 6.122 7.664 ( 0.036 0.451 7.923) 7.936 7.778 ( 1.221 3.075 -2.914) 4.409 7.898 ( -1.873 -3.782 6.157) 7.464 8.004 ( 1.408 -3.168 2.026) 4.015 8.407 ( 1.723 -1.428 -5.141) 5.607 8.499 ( 2.472 1.334 0.003) 2.809 8.567 ( -0.294 -2.745 -2.186) 3.521 8.748 ( -1.192 -2.439 2.547) 3.722 8.853 ( -3.127 -1.495 -2.515) 4.282 9.088 ( -0.293 -0.698 -2.462) 2.576 9.164 ( 3.471 -0.911 -5.972) 6.968======================= Grid point 132 (66/116) =======================q-point: (-0.38 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.466 ( -13.779 4.277 4.494) 15.111 1.666 ( -8.114 4.496 5.753) 10.916 1.862 ( 0.392 -1.900 3.629) 4.115 1.993 ( 0.236 2.055 0.929) 2.267 2.223 ( -2.463 -1.741 0.257) 3.027 2.262 ( -0.031 -1.738 -2.633) 3.155 2.346 ( -4.341 -6.396 4.031) 8.718 2.453 ( 1.320 -2.721 -2.497) 3.922 2.581 ( 8.411 -1.918 3.429) 9.283 2.738 ( -6.683 3.625 3.199) 8.249 2.863 ( 4.170 -6.082 3.615) 8.213 2.948 ( 4.088 0.343 0.351) 4.117 2.990 ( -0.521 -5.538 -0.412) 5.578 3.099 ( -5.639 1.260 2.294) 6.216 3.297 ( -5.364 -4.282 1.030) 6.940 3.376 ( -3.032 1.114 0.178) 3.235 3.539 ( 2.276 3.275 -1.454) 4.245 3.647 ( -0.278 4.623 -0.199) 4.636 3.672 ( 2.093 5.735 5.181) 8.007 3.799 ( 3.695 1.423 -2.432) 4.647 3.995 ( 5.978 2.511 -2.328) 6.889 4.123 ( -1.017 2.552 -1.671) 3.215 4.479 ( 3.281 -2.020 -4.368) 5.825 4.553 ( 3.263 1.583 -7.191) 8.054 6.168 ( -0.625 3.880 4.953) 6.323 6.227 ( 1.246 4.125 3.841) 5.772 6.361 ( -3.949 3.143 4.250) 6.598 6.518 ( -1.031 -1.023 3.171) 3.488 6.635 ( 0.483 -0.308 0.067) 0.577 6.770 ( -2.148 -1.206 -1.400) 2.833 6.804 ( -5.304 0.089 7.200) 8.943 6.951 ( 1.483 0.867 -5.041) 5.326 7.045 ( 1.369 1.232 -0.537) 1.919 7.122 ( 0.339 3.574 0.433) 3.616 7.256 ( 2.041 0.263 -3.187) 3.793 7.270 ( 3.510 1.693 3.757) 5.413 7.385 ( -3.786 2.065 -5.522) 7.006 7.701 ( 1.185 -0.528 8.847) 8.942 7.791 ( 2.125 0.913 -3.232) 3.974 7.900 ( 0.431 -0.681 6.425) 6.475 8.077 ( 4.777 -3.314 -0.287) 5.821 8.432 ( 1.969 -1.216 -4.155) 4.756 8.519 ( -2.038 -0.438 -4.092) 4.593 8.557 ( 1.660 1.650 0.222) 2.351 8.725 ( -2.432 -7.268 1.262) 7.767 8.785 ( -2.795 -1.670 -1.743) 3.694 9.066 ( -0.945 1.822 -2.624) 3.332 9.213 ( 2.833 -0.927 -5.159) 5.958======================= Grid point 133 (67/116) =======================q-point: (-0.25 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.218 ( -12.336 7.180 10.405) 17.663 1.484 ( -12.495 5.208 13.171) 18.887 1.890 ( 1.369 -1.558 4.100) 4.594 2.019 ( 2.330 1.212 -2.048) 3.331 2.141 ( -7.003 -3.185 9.217) 12.006 2.224 ( -2.328 0.120 -5.027) 5.541 2.317 ( 2.468 2.211 -4.318) 5.443 2.507 ( 3.491 -3.121 0.506) 4.710 2.599 ( -7.679 7.813 5.925) 12.455 2.740 ( 5.846 -3.054 2.921) 7.213 2.833 ( -3.185 -0.115 -0.995) 3.339 2.970 ( -0.541 -3.293 -1.272) 3.571 3.027 ( -2.558 -0.485 2.896) 3.894 3.129 ( 2.183 -5.126 1.758) 5.842 3.231 ( 4.825 1.202 4.291) 6.568 3.319 ( -2.635 -1.139 -0.131) 2.874 3.574 ( 1.704 2.360 -3.472) 4.531 3.635 ( -0.612 2.849 2.240) 3.675 3.699 ( 0.500 -0.489 1.372) 1.540 3.847 ( -1.756 1.716 -1.555) 2.906 4.062 ( 2.001 -0.538 -2.948) 3.603 4.130 ( 4.145 3.817 -3.361) 6.561 4.510 ( -0.498 -2.020 -2.131) 2.978 4.618 ( 6.301 -1.130 -10.138) 11.990 6.178 ( -0.103 4.415 3.299) 5.512 6.241 ( -0.528 5.518 1.847) 5.843 6.330 ( 0.251 2.635 6.645) 7.153 6.526 ( 0.844 -3.662 5.637) 6.775 6.641 ( -2.912 0.249 7.860) 8.385 6.710 ( -1.319 0.914 2.938) 3.348 6.752 ( -0.862 -0.122 -3.363) 3.474 6.955 ( 0.271 0.503 -4.621) 4.656 7.062 ( 0.795 1.304 -2.175) 2.658 7.123 ( -0.960 3.807 -0.025) 3.926 7.240 ( -4.345 1.694 1.167) 4.807 7.273 ( 1.712 -0.198 -3.405) 3.816 7.433 ( 4.953 1.783 1.069) 5.371 7.749 ( 1.466 -0.454 6.896) 7.065 7.847 ( 4.058 -1.252 -2.925) 5.157 7.961 ( 4.238 1.925 5.366) 7.104 8.160 ( 3.582 -3.063 -2.084) 5.153 8.440 ( -1.653 -0.209 -0.783) 1.841 8.462 ( -0.663 0.222 -5.176) 5.223 8.592 ( 0.809 0.709 1.426) 1.786 8.654 ( -3.230 -8.016 -1.834) 8.835 8.746 ( -1.319 -2.530 -0.797) 2.963 9.041 ( -0.847 3.997 -3.509) 5.386 9.239 ( 0.968 -0.496 -4.227) 4.365======================= Grid point 134 (68/116) =======================q-point: (-0.12 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.103 ( -2.860 10.898 17.703) 20.984 1.301 ( -9.562 8.013 18.170) 22.040 1.928 ( 0.708 -0.769 3.117) 3.288 2.004 ( -7.253 3.589 9.914) 12.797 2.059 ( -0.344 0.760 6.547) 6.600 2.176 ( -1.099 1.331 -6.315) 6.547 2.375 ( 2.944 6.854 -3.124) 8.088 2.489 ( -2.921 4.764 3.331) 6.505 2.601 ( 5.038 -4.685 -0.608) 6.907 2.759 ( -2.132 1.343 -1.953) 3.188 2.844 ( 2.643 -4.623 0.947) 5.409 2.960 ( -0.401 -0.976 0.628) 1.228 2.990 ( -0.933 -7.084 0.300) 7.152 3.132 ( 1.185 -1.371 1.530) 2.372 3.248 ( -2.380 1.193 -0.172) 2.667 3.411 ( 5.725 0.638 1.357) 5.918 3.575 ( -0.615 2.553 -4.326) 5.060 3.654 ( 2.167 2.250 6.502) 7.214 3.684 ( -3.665 0.066 -3.918) 5.365 3.763 ( -3.287 1.247 3.762) 5.149 4.077 ( 0.326 -0.939 -0.453) 1.093 4.232 ( 5.951 -0.554 -5.684) 8.248 4.446 ( -5.054 -1.620 -2.239) 5.760 4.714 ( 5.758 -4.456 -10.885) 13.096 6.159 ( -2.687 5.308 3.323) 6.814 6.234 ( 0.519 3.711 -1.998) 4.247 6.424 ( 6.774 3.424 5.955) 9.647 6.542 ( -2.840 -1.863 9.077) 9.691 6.624 ( 1.900 -0.644 10.594) 10.782 6.703 ( -0.857 2.312 0.116) 2.468 6.786 ( 4.435 -2.048 0.705) 4.936 6.941 ( -0.491 -1.850 -2.767) 3.365 7.068 ( -2.223 5.117 -1.197) 5.706 7.072 ( -0.561 2.022 -2.365) 3.161 7.196 ( -1.335 3.076 3.234) 4.659 7.286 ( 0.261 0.033 -3.669) 3.678 7.478 ( -0.736 0.716 -2.731) 2.918 7.785 ( 0.762 -0.467 3.733) 3.839 7.918 ( 3.893 -2.346 -4.871) 6.663 8.070 ( 4.839 1.008 3.607) 6.119 8.189 ( 0.422 -3.478 -3.312) 4.821 8.392 ( -4.068 -0.376 1.914) 4.512 8.449 ( 0.795 -0.125 -2.009) 2.165 8.561 ( -2.770 -6.063 0.620) 6.695 8.657 ( 2.425 -0.621 -1.940) 3.167 8.738 ( 1.506 -0.337 -0.120) 1.548 9.012 ( -0.970 5.064 -4.225) 6.666 9.222 ( -1.747 0.146 -3.331) 3.764======================= Grid point 135 (69/116) =======================q-point: ( 0.00 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 3.336 17.904 12.957) 22.351 1.493 ( 0.328 13.952 11.706) 18.216 1.952 ( 0.157 2.158 -2.741) 3.492 1.994 ( -1.709 1.419 2.666) 3.471 2.094 ( 0.747 -0.087 5.035) 5.091 2.190 ( -0.060 2.138 -2.056) 2.966 2.461 ( 2.680 -5.424 -5.910) 8.457 2.564 ( 3.818 -8.168 3.411) 9.640 2.610 ( -1.610 7.997 3.777) 8.989 2.726 ( -2.668 0.163 -4.581) 5.304 2.751 ( -1.712 -1.687 -3.222) 4.019 2.895 ( 1.951 -2.561 -1.179) 3.429 3.024 ( 2.649 3.540 1.035) 4.541 3.132 ( 2.217 -2.678 -0.095) 3.478 3.238 ( -0.523 2.731 0.605) 2.846 3.470 ( -0.477 1.596 -0.020) 1.666 3.549 ( -3.368 0.199 -2.535) 4.220 3.617 ( -4.266 1.184 -1.149) 4.574 3.757 ( -2.445 0.967 3.538) 4.408 3.844 ( 6.125 4.456 7.405) 10.592 4.067 ( 1.252 -0.922 2.284) 2.763 4.154 ( -3.480 -6.316 -1.394) 7.344 4.333 ( -2.043 -0.987 -2.411) 3.311 4.628 ( 1.226 -8.115 -5.191) 9.711 6.239 ( -3.221 6.593 2.669) 7.808 6.322 ( 2.119 3.504 -0.312) 4.107 6.483 ( -0.254 -1.688 8.879) 9.042 6.621 ( 3.118 1.217 -0.788) 3.438 6.671 ( 2.006 -0.202 7.414) 7.683 6.754 ( 0.553 0.491 5.869) 5.916 6.812 ( 1.493 -1.434 3.912) 4.425 6.903 ( 1.664 -1.994 -0.785) 2.713 7.077 ( -1.666 2.674 2.284) 3.891 7.159 ( 0.932 5.115 -1.817) 5.508 7.189 ( -0.723 -1.853 -2.084) 2.881 7.370 ( -1.920 5.126 0.499) 5.496 7.466 ( -0.179 5.317 -6.868) 8.688 7.771 ( -1.761 -1.451 1.080) 2.525 7.888 ( 1.050 -3.467 -6.973) 7.858 8.035 ( -1.609 -6.184 2.907) 7.020 8.126 ( -0.453 -2.146 -2.413) 3.260 8.221 ( -6.763 -3.355 1.694) 7.737 8.449 ( 0.182 -0.326 -3.412) 3.432 8.503 ( 2.215 -1.942 -0.987) 3.107 8.732 ( 3.385 1.812 -1.142) 4.005 8.819 ( 5.531 -0.513 1.389) 5.726 9.073 ( -0.639 3.666 -5.990) 7.052 9.171 ( -2.856 0.351 -3.884) 4.834======================= Grid point 136 (70/116) =======================q-point: ( 0.12 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 0.306 14.890 8.759) 17.278 1.582 ( 4.973 14.895 11.570) 19.505 1.934 ( -0.645 1.763 -5.510) 5.821 1.982 ( 0.034 4.054 4.211) 5.845 2.116 ( -0.143 -0.761 0.539) 0.943 2.201 ( 1.133 0.943 2.466) 2.873 2.469 ( -0.672 -2.462 -5.855) 6.387 2.598 ( -0.670 1.109 5.085) 5.247 2.650 ( 2.759 -10.328 3.256) 11.175 2.669 ( -1.416 2.657 -5.435) 6.214 2.715 ( 0.017 -1.211 -3.216) 3.436 2.921 ( 0.755 -4.062 -1.056) 4.264 3.075 ( 2.463 -0.248 -3.124) 3.986 3.154 ( -1.651 -5.279 -0.184) 5.535 3.236 ( 1.173 6.595 3.394) 7.509 3.446 ( -2.314 2.871 2.031) 4.210 3.480 ( -3.628 0.148 1.418) 3.898 3.544 ( -1.903 0.072 -0.692) 2.026 3.692 ( -4.270 -0.498 1.922) 4.709 3.949 ( 3.208 4.893 5.439) 7.988 4.075 ( -2.397 -0.974 2.645) 3.700 4.147 ( 4.596 -0.251 -3.458) 5.757 4.310 ( -0.204 -0.661 -2.524) 2.617 4.626 ( -0.182 -7.895 -4.174) 8.932 6.188 ( -2.421 6.455 2.302) 7.268 6.346 ( -0.380 1.972 2.258) 3.022 6.511 ( 1.351 1.760 5.077) 5.540 6.664 ( 1.622 -1.639 0.488) 2.357 6.693 ( -0.785 3.705 1.397) 4.037 6.788 ( 0.834 -2.686 9.762) 10.159 6.821 ( -0.604 -0.409 -0.203) 0.757 6.957 ( 1.836 -2.271 3.636) 4.663 7.074 ( 1.201 2.023 2.447) 3.394 7.136 ( -2.267 1.843 -2.166) 3.637 7.226 ( 3.666 2.379 -1.324) 4.566 7.297 ( -3.954 4.236 0.641) 5.830 7.483 ( 3.184 6.423 -4.503) 8.466 7.712 ( -3.831 -2.496 -3.690) 5.876 7.824 ( -5.206 1.076 -5.596) 7.718 8.028 ( -0.529 -5.772 4.847) 7.556 8.095 ( -6.238 -2.400 1.103) 6.774 8.165 ( 4.328 -7.632 1.210) 8.857 8.435 ( -0.136 0.083 -5.339) 5.341 8.527 ( 0.555 -1.950 -1.767) 2.690 8.786 ( 1.914 1.534 0.879) 2.605 8.919 ( 3.646 -2.038 0.999) 4.295 9.043 ( -0.724 2.862 -6.075) 6.754 9.102 ( -2.355 1.004 -4.903) 5.531======================= Grid point 137 (71/116) =======================q-point: ( 0.25 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( 3.336 10.422 6.465) 12.710 1.716 ( 5.375 10.375 8.107) 14.222 1.901 ( -1.315 1.951 -4.940) 5.472 2.014 ( 1.857 4.002 3.257) 5.484 2.088 ( -2.373 1.510 -2.251) 3.603 2.236 ( 1.256 -0.570 5.124) 5.306 2.409 ( -3.245 -1.588 -3.931) 5.339 2.564 ( -2.790 -0.875 -1.850) 3.460 2.590 ( -5.638 -0.801 -1.255) 5.831 2.711 ( 2.355 -12.170 4.368) 13.143 2.783 ( 5.770 -1.083 -3.939) 7.069 2.922 ( -0.247 -6.339 -1.042) 6.429 3.035 ( -5.499 -3.136 -2.638) 6.858 3.095 ( -4.275 -5.480 -1.060) 7.030 3.259 ( 0.236 4.409 1.331) 4.611 3.398 ( -2.484 0.021 2.689) 3.661 3.472 ( 2.260 4.521 5.859) 7.738 3.577 ( 5.677 3.348 -1.646) 6.793 3.634 ( -1.756 -0.702 0.896) 2.092 3.996 ( -1.856 9.039 5.630) 10.809 4.048 ( 2.105 -2.196 -1.214) 3.275 4.227 ( 1.209 1.657 -0.819) 2.208 4.303 ( 1.513 2.774 -2.409) 3.973 4.598 ( -1.565 -5.690 -3.424) 6.823 6.165 ( -0.487 5.419 2.467) 5.974 6.318 ( -2.949 1.059 4.159) 5.207 6.555 ( 2.048 4.501 -0.016) 4.945 6.665 ( -1.278 2.872 0.593) 3.199 6.702 ( 1.287 -2.877 1.275) 3.400 6.787 ( -1.701 0.876 2.022) 2.784 6.835 ( -0.389 0.290 9.403) 9.415 6.950 ( -2.482 -0.105 2.012) 3.197 7.085 ( -1.252 2.330 -1.753) 3.173 7.129 ( 1.752 1.808 0.043) 2.518 7.250 ( -1.479 2.174 4.895) 5.556 7.291 ( 3.741 2.823 -2.431) 5.280 7.558 ( 4.347 -0.122 -4.894) 6.547 7.608 ( -4.601 1.125 -7.918) 9.226 7.721 ( -3.451 0.810 3.088) 4.701 7.977 ( -5.450 -2.533 5.988) 8.483 8.038 ( -1.192 -3.162 1.055) 3.540 8.255 ( 3.820 -8.553 1.071) 9.428 8.426 ( 0.889 0.249 -5.745) 5.818 8.522 ( -0.096 -1.443 -2.357) 2.765 8.804 ( -0.677 0.703 2.530) 2.712 8.931 ( -2.145 -2.552 -0.717) 3.410 9.028 ( 1.483 1.150 -8.368) 8.575 9.081 ( 1.101 -0.155 -3.368) 3.547======================= Grid point 138 (72/116) =======================q-point: ( 0.38 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( 8.201 1.257 3.548) 9.023 1.807 ( 1.911 7.391 3.399) 8.357 1.864 ( -1.051 2.071 -0.401) 2.357 2.016 ( -3.361 3.427 -2.410) 5.371 2.056 ( 0.626 1.253 2.054) 2.486 2.256 ( -1.510 -2.493 5.032) 5.815 2.374 ( 1.290 -1.193 0.839) 1.948 2.465 ( -6.150 0.361 -1.339) 6.304 2.489 ( -4.309 -0.736 -1.863) 4.752 2.752 ( -0.138 -12.280 2.407) 12.514 2.819 ( -3.825 -4.745 -1.128) 6.198 2.865 ( -1.852 -6.463 -5.272) 8.544 2.968 ( -4.093 -3.592 -1.088) 5.553 3.020 ( 2.834 -5.311 -2.068) 6.365 3.314 ( 4.584 3.090 1.341) 5.688 3.352 ( -2.796 1.021 2.338) 3.785 3.542 ( 2.502 2.525 2.298) 4.233 3.618 ( 1.017 -1.378 -1.739) 2.441 3.742 ( 9.821 8.022 0.803) 12.707 3.946 ( -3.121 7.207 1.577) 8.011 4.107 ( 0.688 3.528 1.185) 3.784 4.164 ( -4.476 4.740 4.746) 8.064 4.360 ( 3.293 1.074 -3.188) 4.707 4.560 ( -0.960 -2.446 -3.850) 4.661 6.185 ( 1.727 4.232 3.316) 5.647 6.274 ( -2.437 2.139 4.436) 5.494 6.577 ( 0.400 4.319 -2.857) 5.194 6.635 ( -2.353 1.811 1.061) 3.153 6.709 ( -2.125 1.656 0.549) 2.749 6.756 ( -1.675 0.796 5.207) 5.527 6.840 ( -1.137 -1.177 9.101) 9.247 6.914 ( -0.403 -0.157 -2.274) 2.315 7.096 ( 2.046 2.907 3.547) 5.022 7.123 ( -1.171 1.674 -1.665) 2.635 7.234 ( -1.267 5.833 1.102) 6.070 7.378 ( 4.759 -2.091 -0.887) 5.273 7.449 ( -5.909 1.323 -9.782) 11.504 7.664 ( 4.564 -6.523 0.208) 7.964 7.709 ( -0.139 3.334 4.604) 5.686 7.910 ( -2.659 0.807 5.099) 5.807 7.986 ( -4.422 -2.723 1.010) 5.291 8.312 ( 2.212 -7.131 -0.897) 7.520 8.443 ( 2.322 0.141 -3.153) 3.918 8.525 ( 1.005 -1.054 -2.901) 3.247 8.774 ( -2.735 0.216 2.030) 3.413 8.876 ( -2.929 -2.652 -1.457) 4.211 9.044 ( 2.291 -0.746 -7.539) 7.915 9.103 ( 1.840 -1.413 -3.519) 4.215======================= Grid point 139 (73/116) =======================q-point: (-0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.753 ( -6.061 4.857 1.656) 7.941 1.822 ( 0.514 -0.605 1.476) 1.676 1.864 ( -2.758 3.936 1.130) 4.938 2.033 ( -3.317 -1.722 3.287) 4.977 2.057 ( 8.784 -2.508 2.258) 9.410 2.228 ( -1.740 -1.980 3.544) 4.417 2.362 ( -3.449 0.786 -1.736) 3.940 2.401 ( -3.581 -3.555 -1.724) 5.332 2.441 ( 3.393 0.211 0.532) 3.440 2.667 ( -2.610 -4.850 -0.251) 5.513 2.797 ( 0.650 -9.428 -0.936) 9.497 2.861 ( 1.123 -1.891 -2.889) 3.631 2.904 ( -2.291 -3.804 -0.935) 4.538 3.090 ( 3.602 -6.848 -2.010) 7.994 3.289 ( -3.396 2.923 2.051) 4.928 3.415 ( 3.665 0.509 -0.565) 3.743 3.565 ( 0.372 1.905 -0.832) 2.112 3.662 ( 3.074 -0.716 -1.321) 3.422 3.888 ( -2.912 6.589 1.280) 7.317 3.930 ( 7.996 5.245 -1.272) 9.647 3.987 ( -8.445 12.980 6.940) 16.970 4.185 ( 0.910 2.300 2.577) 3.572 4.400 ( 1.934 -1.083 -0.892) 2.389 4.552 ( 1.266 -0.061 -4.915) 5.075 6.237 ( 1.365 3.611 5.903) 7.053 6.262 ( 0.918 4.138 3.153) 5.283 6.536 ( -4.075 4.105 -2.994) 6.513 6.576 ( -3.929 1.448 0.872) 4.277 6.659 ( -1.679 2.961 2.564) 4.262 6.749 ( -0.991 -2.187 3.354) 4.125 6.823 ( -2.794 -2.750 7.061) 8.076 6.932 ( 1.959 0.338 -1.700) 2.616 7.090 ( -1.357 1.468 0.978) 2.225 7.178 ( 4.118 3.549 0.368) 5.449 7.225 ( 1.277 5.533 1.708) 5.930 7.326 ( -3.524 0.628 -6.840) 7.721 7.454 ( 2.197 0.395 -2.358) 3.247 7.693 ( -2.376 1.754 5.104) 5.897 7.756 ( 4.392 -6.964 3.103) 8.799 7.863 ( -3.706 2.047 -2.107) 4.729 7.949 ( 1.735 -1.338 4.980) 5.440 8.343 ( 1.853 -6.128 -2.951) 7.049 8.497 ( 3.150 -1.038 -1.612) 3.688 8.534 ( 0.883 0.201 -3.279) 3.402 8.715 ( -3.894 -0.669 1.330) 4.168 8.810 ( -3.491 -2.645 -1.568) 4.652 9.069 ( 1.775 -0.911 -4.841) 5.236 9.136 ( 2.868 -1.967 -5.029) 6.114======================= Grid point 140 (74/116) =======================q-point: (-0.38 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( -10.902 7.449 4.910) 14.087 1.772 ( -7.247 4.915 4.988) 10.077 1.842 ( 0.922 0.457 2.469) 2.675 1.993 ( -0.094 -3.264 2.692) 4.232 2.144 ( -2.668 -2.136 4.649) 5.770 2.227 ( 1.456 -0.802 -2.627) 3.108 2.306 ( -0.754 -1.519 -3.086) 3.521 2.379 ( 1.145 -4.274 -1.497) 4.671 2.547 ( 8.024 -1.391 -1.421) 8.267 2.707 ( 3.884 -5.209 2.292) 6.890 2.792 ( -1.174 -3.169 -3.040) 4.545 2.871 ( 1.291 -1.033 1.132) 2.004 2.900 ( 2.628 -5.879 -3.872) 7.514 3.140 ( 2.297 -3.605 0.680) 4.328 3.233 ( -3.152 3.765 0.297) 4.919 3.423 ( -2.904 2.142 0.489) 3.642 3.569 ( 0.627 0.702 -2.483) 2.655 3.677 ( -1.277 -1.097 -1.263) 2.105 3.838 ( -5.276 7.342 3.915) 9.853 3.875 ( -0.216 6.304 5.358) 8.276 4.063 ( 3.585 4.370 -2.505) 6.183 4.182 ( -0.550 3.508 1.225) 3.756 4.442 ( 2.221 -1.536 0.238) 2.711 4.570 ( 1.667 -0.380 -4.784) 5.080 6.265 ( 0.843 5.388 6.113) 8.192 6.315 ( 1.870 4.121 3.535) 5.742 6.441 ( -3.745 4.151 -0.900) 5.663 6.500 ( -3.657 0.147 0.392) 3.681 6.654 ( -0.219 1.168 3.392) 3.594 6.728 ( -2.263 -2.481 4.015) 5.234 6.781 ( -3.077 -1.800 5.351) 6.430 6.949 ( -0.025 -1.688 -1.047) 1.987 7.085 ( 1.119 2.975 -2.902) 4.304 7.213 ( 1.299 5.114 -0.781) 5.334 7.258 ( -0.499 -0.300 -4.233) 4.272 7.334 ( 4.175 3.624 5.274) 7.640 7.436 ( -2.096 3.897 -4.480) 6.297 7.691 ( 1.060 -0.223 7.208) 7.289 7.798 ( -0.651 -0.929 -2.060) 2.351 7.864 ( 4.531 -3.585 4.369) 7.244 8.027 ( 4.635 -0.088 1.293) 4.813 8.375 ( 2.251 -5.851 -3.068) 6.980 8.506 ( -0.744 -0.505 -4.921) 5.002 8.565 ( 1.460 -1.413 -1.703) 2.651 8.630 ( -4.627 -0.386 1.110) 4.773 8.742 ( -2.769 -2.468 -1.454) 3.983 9.087 ( 1.339 0.492 -3.948) 4.198 9.183 ( 3.089 -2.081 -4.902) 6.157======================= Grid point 141 (75/116) =======================q-point: (-0.25 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.416 ( -7.244 12.241 9.644) 17.185 1.627 ( -8.980 8.468 10.990) 16.527 1.879 ( 1.861 0.488 3.768) 4.230 2.024 ( 1.507 -0.430 -1.677) 2.295 2.097 ( -1.688 -1.761 2.083) 3.208 2.227 ( -0.352 0.151 -3.168) 3.191 2.323 ( 3.715 -2.871 -4.788) 6.706 2.412 ( 2.270 -5.480 -0.245) 5.937 2.676 ( 4.068 -1.067 -0.998) 4.323 2.733 ( -1.346 2.295 2.221) 3.466 2.771 ( 1.106 -4.574 -3.306) 5.751 2.912 ( 1.582 -1.618 -0.545) 2.328 2.964 ( 2.279 -5.827 -1.890) 6.536 3.141 ( -5.126 3.529 0.468) 6.241 3.231 ( 5.772 0.562 2.568) 6.342 3.350 ( -2.464 4.461 3.234) 6.036 3.582 ( 1.629 -0.676 -3.337) 3.774 3.670 ( 1.340 -0.995 -0.767) 1.837 3.752 ( -4.491 6.132 3.872) 8.530 3.879 ( -2.685 1.325 2.494) 3.897 4.052 ( -1.694 0.239 -0.209) 1.723 4.208 ( 1.977 3.237 -1.643) 4.134 4.463 ( -0.987 -2.263 1.015) 2.669 4.587 ( 1.667 -2.510 -5.255) 6.058 6.295 ( 0.224 5.919 0.833) 5.982 6.311 ( -2.007 2.929 5.317) 6.393 6.441 ( 2.404 4.795 2.467) 5.904 6.458 ( -0.040 -0.241 2.085) 2.100 6.640 ( -3.229 -1.408 7.313) 8.117 6.710 ( 0.469 0.001 4.476) 4.500 6.746 ( -1.649 -0.508 3.366) 3.782 6.933 ( -1.018 -2.361 -1.677) 3.069 7.104 ( 1.432 2.496 -3.772) 4.744 7.224 ( -0.760 5.569 0.581) 5.651 7.238 ( -0.979 -1.413 -5.667) 5.923 7.341 ( -1.298 6.531 3.469) 7.509 7.461 ( 3.365 0.623 -1.803) 3.868 7.750 ( 2.297 0.859 6.117) 6.590 7.805 ( 2.013 -3.143 -2.329) 4.400 7.975 ( 5.170 -2.070 3.992) 6.851 8.112 ( 3.606 -0.006 -1.676) 3.976 8.409 ( 1.938 -5.533 -2.434) 6.348 8.468 ( -1.547 0.128 -4.366) 4.633 8.488 ( -6.403 -3.327 0.095) 7.217 8.625 ( 2.101 1.082 -1.239) 2.668 8.706 ( -0.415 -1.966 -1.409) 2.454 9.099 ( 0.965 2.086 -4.425) 4.986 9.218 ( 1.654 -1.586 -4.270) 4.846======================= Grid point 142 (76/116) =======================q-point: (-0.12 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( 0.970 16.603 12.884) 21.038 1.512 ( -5.651 12.490 13.098) 18.960 1.928 ( 1.961 1.186 3.543) 4.219 2.017 ( -0.901 -1.485 -1.741) 2.459 2.089 ( -0.684 1.224 2.563) 2.922 2.206 ( -0.730 1.506 -3.085) 3.510 2.405 ( 5.065 -4.723 -7.233) 10.014 2.471 ( 4.045 -7.708 1.853) 8.900 2.656 ( -3.274 6.813 3.228) 8.219 2.764 ( 0.962 -1.850 -4.586) 5.038 2.780 ( 0.472 -1.620 -2.433) 2.961 2.894 ( -3.189 -0.737 0.926) 3.402 2.972 ( 1.793 3.357 1.994) 4.297 3.101 ( 0.689 -0.361 0.016) 0.778 3.249 ( -1.399 -0.178 0.698) 1.574 3.436 ( 5.142 1.881 0.265) 5.481 3.603 ( -0.196 0.342 -2.969) 2.995 3.690 ( -0.664 0.443 -2.731) 2.845 3.717 ( 2.086 3.567 4.826) 6.353 3.794 ( -4.655 1.753 5.635) 7.517 4.045 ( 0.451 -1.857 1.213) 2.264 4.214 ( -1.207 -1.994 -1.902) 3.008 4.405 ( -4.470 -1.809 0.303) 4.832 4.610 ( 1.999 -5.947 -5.588) 8.402 6.284 ( -1.219 2.579 2.220) 3.614 6.294 ( -0.516 6.898 0.704) 6.953 6.468 ( -0.075 -2.984 6.960) 7.573 6.537 ( 5.319 4.628 0.847) 7.101 6.618 ( -0.216 -0.600 9.227) 9.249 6.735 ( -0.230 0.197 3.718) 3.731 6.756 ( 2.235 -0.114 5.846) 6.260 6.907 ( -0.971 -1.667 -2.232) 2.951 7.107 ( -0.704 1.536 -1.768) 2.445 7.173 ( -2.164 5.177 -2.462) 6.128 7.215 ( -1.021 -0.917 -1.462) 2.005 7.359 ( 1.455 6.496 1.867) 6.914 7.492 ( 0.538 0.696 -4.685) 4.767 7.784 ( -0.221 0.629 3.432) 3.496 7.851 ( 3.118 -4.444 -3.443) 6.429 8.049 ( 0.768 -4.595 2.544) 5.308 8.144 ( 0.689 0.719 -4.726) 4.829 8.347 ( -6.941 -4.847 1.249) 8.558 8.440 ( 1.307 -0.760 -1.552) 2.167 8.465 ( 1.521 -1.605 -1.938) 2.940 8.672 ( 3.142 1.161 -1.924) 3.863 8.728 ( 3.121 -0.629 -0.133) 3.187 9.096 ( -0.002 3.341 -5.503) 6.438 9.217 ( -0.723 -0.699 -3.803) 3.934======================= Grid point 143 (77/116) =======================q-point: ( 0.00 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( 1.695 10.998 6.482) 12.878 1.815 ( 3.670 12.023 5.863) 13.871 1.978 ( 0.573 1.484 2.930) 3.334 2.023 ( 0.636 4.278 0.521) 4.356 2.087 ( 0.164 -1.742 -0.183) 1.759 2.218 ( 2.139 -9.110 -0.713) 9.385 2.257 ( 0.025 -2.504 1.182) 2.769 2.373 ( 1.891 -9.022 4.561) 10.284 2.705 ( -0.851 1.886 -5.281) 5.672 2.720 ( -1.253 -0.238 -6.861) 6.978 2.791 ( 0.503 3.805 -7.512) 8.436 2.863 ( 0.901 -2.383 -5.471) 6.035 3.046 ( 0.687 0.341 -1.174) 1.402 3.084 ( -0.102 -2.740 -2.109) 3.459 3.432 ( 2.172 13.205 4.225) 14.034 3.501 ( 0.268 1.449 -1.211) 1.907 3.543 ( -4.822 -0.144 -1.021) 4.931 3.621 ( -3.182 -2.169 -1.170) 4.025 3.779 ( -3.701 1.988 5.200) 6.685 3.864 ( 0.973 -4.224 6.689) 7.971 4.036 ( 2.550 -0.962 5.383) 6.033 4.059 ( 1.842 -2.330 2.667) 3.992 4.350 ( -2.670 3.329 0.224) 4.273 4.464 ( -1.023 -7.700 -0.284) 7.773 6.335 ( -1.079 3.415 3.025) 4.688 6.382 ( -0.846 -0.060 1.184) 1.457 6.475 ( 2.129 3.327 6.393) 7.515 6.573 ( 1.750 -4.805 3.020) 5.939 6.701 ( 1.755 2.590 8.120) 8.703 6.747 ( 0.878 -1.578 7.273) 7.494 6.821 ( 0.450 1.678 1.261) 2.146 6.860 ( 0.513 -2.190 -2.361) 3.261 7.114 ( -0.810 1.506 1.364) 2.187 7.148 ( -0.298 -1.973 -0.392) 2.034 7.293 ( -0.016 7.173 -1.554) 7.340 7.395 ( -1.407 -2.343 -1.714) 3.226 7.605 ( 1.935 7.568 -4.453) 8.992 7.735 ( -1.355 -4.200 -2.424) 5.035 7.823 ( 0.639 0.052 -0.835) 1.053 7.903 ( -1.807 -6.379 1.652) 6.833 8.123 ( -3.792 1.276 -3.473) 5.298 8.162 ( -4.881 -2.555 -1.781) 5.790 8.448 ( 0.652 0.391 -2.822) 2.923 8.467 ( 1.439 -1.474 -1.954) 2.839 8.770 ( 3.847 1.854 -0.207) 4.276 8.802 ( 4.632 -1.275 0.752) 4.863 9.132 ( -0.990 2.342 -5.860) 6.388 9.165 ( -1.758 -0.997 -4.896) 5.297======================= Grid point 144 (78/116) =======================q-point: ( 0.12 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.799 ( 1.172 10.707 2.648) 11.091 1.887 ( 1.715 8.540 4.351) 9.737 1.976 ( -0.184 6.712 -2.478) 7.157 2.042 ( 0.197 2.722 5.523) 6.160 2.093 ( 0.436 -1.323 1.348) 1.938 2.250 ( 0.693 4.105 2.091) 4.658 2.268 ( 0.702 -14.404 0.114) 14.421 2.412 ( 0.898 -11.411 5.280) 12.605 2.646 ( -3.276 3.323 -5.309) 7.069 2.696 ( 1.041 -1.232 -7.601) 7.770 2.768 ( -1.195 4.709 -7.737) 9.136 2.855 ( -0.730 -3.452 -4.437) 5.669 3.043 ( -0.674 -1.448 -2.385) 2.871 3.062 ( -2.234 -3.248 -0.892) 4.041 3.394 ( -2.961 5.965 -0.331) 6.668 3.458 ( -3.542 -1.371 -1.373) 4.038 3.519 ( -1.869 3.196 2.438) 4.433 3.569 ( -1.794 -0.175 -0.183) 1.812 3.717 ( -1.397 6.249 7.094) 9.556 3.894 ( 2.551 -8.281 3.761) 9.446 4.133 ( 2.702 3.728 7.352) 8.675 4.157 ( 5.955 0.555 2.236) 6.385 4.323 ( 0.422 3.209 -1.306) 3.490 4.453 ( 0.002 -8.814 -0.195) 8.816 6.302 ( -2.547 4.564 2.522) 5.803 6.360 ( -2.075 -1.072 2.314) 3.288 6.552 ( 3.718 2.860 4.763) 6.686 6.620 ( 1.938 -3.158 2.311) 4.367 6.751 ( -0.797 1.541 5.697) 5.955 6.758 ( -0.271 -0.064 7.537) 7.542 6.828 ( 1.294 1.520 -2.041) 2.855 6.888 ( 2.734 -4.057 0.738) 4.947 7.109 ( -0.728 1.900 4.085) 4.563 7.145 ( -0.501 -1.190 2.502) 2.816 7.301 ( 0.516 4.589 -2.903) 5.455 7.355 ( -0.961 0.154 -3.684) 3.810 7.612 ( -0.306 5.869 -4.081) 7.155 7.679 ( -2.339 -1.000 -2.685) 3.699 7.829 ( -1.405 0.274 -3.180) 3.487 7.901 ( 0.566 -6.494 2.339) 6.925 8.052 ( -2.940 -1.204 0.636) 3.240 8.066 ( -2.806 -2.316 0.222) 3.645 8.447 ( 0.320 1.205 -4.347) 4.522 8.482 ( 0.764 -2.270 -3.049) 3.877 8.825 ( 1.472 2.346 1.064) 2.967 8.874 ( 2.083 -2.443 1.116) 3.399 9.089 ( -1.488 1.714 -6.384) 6.776 9.109 ( -2.087 -0.313 -5.640) 6.022======================= Grid point 145 (79/116) =======================q-point: ( 0.25 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( -1.322 9.800 0.282) 9.892 1.899 ( -0.923 0.892 0.679) 1.452 1.971 ( 0.134 10.775 0.218) 10.778 2.067 ( 0.797 1.556 3.315) 3.748 2.094 ( -1.042 -0.609 1.710) 2.093 2.237 ( -4.035 -12.207 0.792) 12.880 2.287 ( 2.664 4.325 4.110) 6.534 2.453 ( 2.193 -11.249 4.084) 12.167 2.574 ( -2.654 4.587 -3.846) 6.548 2.688 ( -3.654 0.902 -7.035) 7.979 2.708 ( 0.328 -1.577 -8.000) 8.161 2.811 ( -2.752 -4.983 -4.565) 7.296 2.991 ( -3.380 -1.292 -1.273) 3.836 3.004 ( -3.539 -2.705 0.222) 4.460 3.347 ( -1.554 3.803 0.161) 4.111 3.394 ( -2.403 -0.839 0.992) 2.732 3.511 ( 1.992 1.087 -0.719) 2.381 3.555 ( 1.068 -3.246 -2.339) 4.141 3.785 ( 4.989 11.069 6.687) 13.861 3.963 ( 3.015 -6.434 2.189) 7.435 4.163 ( -0.384 7.013 5.992) 9.232 4.242 ( 1.263 -0.856 3.828) 4.121 4.359 ( 2.933 3.369 -0.824) 4.542 4.464 ( 1.164 -7.070 -0.802) 7.210 6.267 ( -1.491 4.334 2.435) 5.190 6.322 ( -2.188 -1.117 2.651) 3.614 6.621 ( 1.902 2.028 2.039) 3.448 6.653 ( 0.781 -1.738 2.034) 2.786 6.725 ( -1.538 2.712 2.198) 3.814 6.767 ( -0.560 -1.745 4.810) 5.148 6.868 ( 1.740 2.821 2.185) 3.970 6.935 ( 0.680 -2.793 2.033) 3.521 7.102 ( -0.680 1.426 2.674) 3.106 7.141 ( -0.802 -1.291 2.850) 3.230 7.290 ( 0.519 4.472 0.336) 4.515 7.371 ( 2.676 -1.165 -2.919) 4.128 7.553 ( -3.956 2.932 -5.673) 7.512 7.615 ( -4.985 -1.375 -7.033) 8.729 7.785 ( -0.609 5.171 2.146) 5.632 7.898 ( -1.915 -5.488 5.622) 8.086 8.015 ( -0.370 1.212 1.119) 1.691 8.093 ( 3.002 -6.767 1.530) 7.559 8.445 ( 0.919 1.602 -4.826) 5.167 8.484 ( 0.631 -2.174 -3.598) 4.251 8.828 ( -1.394 1.857 1.187) 2.608 8.875 ( -1.929 -2.791 0.002) 3.393 9.053 ( -0.174 1.188 -6.886) 6.990 9.072 ( -0.123 -0.703 -5.213) 5.262======================= Grid point 146 (80/116) =======================q-point: ( 0.38 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.783 ( 0.317 5.017 0.073) 5.028 1.868 ( -1.882 -2.269 -0.714) 3.033 1.970 ( -1.548 8.293 1.816) 8.630 2.056 ( -3.349 0.059 -0.107) 3.351 2.072 ( -0.738 1.001 2.237) 2.559 2.170 ( -1.421 -7.727 2.340) 8.197 2.358 ( 2.202 3.788 5.365) 6.927 2.471 ( -2.480 -2.533 0.017) 3.545 2.535 ( -1.805 0.640 -1.874) 2.680 2.590 ( -1.550 2.225 -4.084) 4.902 2.677 ( -2.884 -8.351 -5.378) 10.344 2.717 ( -3.421 -6.796 -7.071) 10.387 2.941 ( -1.280 0.723 -0.071) 1.472 2.968 ( 0.404 -1.677 -0.695) 1.860 3.361 ( 2.465 1.583 0.100) 2.931 3.372 ( -0.671 0.497 1.659) 1.857 3.565 ( 2.959 0.548 -1.596) 3.407 3.585 ( 2.357 -1.581 -1.817) 3.370 3.907 ( 5.605 7.254 2.786) 9.581 4.002 ( 0.378 -1.838 0.656) 1.987 4.183 ( 1.156 4.663 5.292) 7.147 4.236 ( -2.416 0.545 5.191) 5.752 4.401 ( 1.051 3.529 0.400) 3.704 4.488 ( 1.546 -4.546 -1.562) 5.050 6.266 ( 0.674 3.379 3.463) 4.885 6.301 ( -0.611 0.024 3.383) 3.438 6.629 ( -0.634 1.142 -1.457) 1.956 6.651 ( -1.543 -1.106 -0.226) 1.911 6.709 ( -1.405 2.562 3.657) 4.681 6.768 ( -1.383 -2.434 4.204) 5.051 6.873 ( -2.554 3.941 5.177) 6.990 6.923 ( -1.129 -0.391 0.986) 1.549 7.112 ( 0.410 0.398 3.078) 3.130 7.137 ( 1.809 -0.939 -3.062) 3.678 7.338 ( 1.725 5.657 5.127) 7.827 7.413 ( 1.419 3.385 -5.012) 6.212 7.468 ( -5.161 -0.150 -8.313) 9.786 7.495 ( 0.285 -8.184 2.024) 8.436 7.794 ( -0.836 4.582 4.549) 6.511 7.883 ( -1.485 -4.015 6.123) 7.471 8.005 ( -0.810 5.166 -0.982) 5.321 8.148 ( 2.084 -8.549 0.039) 8.799 8.464 ( 2.333 1.688 -4.079) 4.992 8.499 ( 1.932 -1.669 -3.567) 4.387 8.785 ( -3.050 1.105 0.622) 3.303 8.822 ( -3.105 -2.508 -0.442) 4.016 9.046 ( 1.208 0.806 -6.593) 6.751 9.071 ( 1.231 -1.631 -5.035) 5.434======================= Grid point 147 (81/116) =======================q-point: (-0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( 0.700 1.109 0.558) 1.426 1.845 ( 0.129 -1.958 -0.436) 2.010 1.893 ( -5.887 3.248 2.764) 7.270 1.955 ( -6.370 -1.805 2.525) 7.086 2.120 ( 4.394 3.776 2.226) 6.207 2.190 ( 1.693 -2.864 2.090) 3.929 2.345 ( -4.117 0.526 2.060) 4.634 2.374 ( -6.593 -0.798 -0.610) 6.669 2.495 ( 0.852 4.571 -5.963) 7.561 2.607 ( 1.900 -2.082 -1.125) 3.035 2.632 ( 1.518 -5.445 -3.047) 6.422 2.700 ( 2.310 -8.565 -5.754) 10.574 2.934 ( 0.222 2.979 -0.430) 3.018 2.996 ( 2.355 -3.374 -1.737) 4.466 3.362 ( -0.971 3.531 1.995) 4.170 3.410 ( 1.983 -1.222 0.169) 2.336 3.596 ( 0.847 1.451 -1.857) 2.504 3.630 ( 2.001 -1.982 -1.582) 3.230 3.976 ( -1.178 2.554 1.067) 3.008 3.990 ( -0.141 1.236 0.214) 1.262 4.204 ( -1.314 5.738 4.650) 7.501 4.224 ( 0.785 1.531 5.290) 5.563 4.412 ( 0.559 3.482 1.164) 3.714 4.510 ( 1.110 -4.295 -1.696) 4.750 6.306 ( 1.797 2.754 5.538) 6.441 6.323 ( 1.933 1.361 3.978) 4.627 6.590 ( -4.282 1.059 -1.593) 4.690 6.596 ( -2.464 0.883 -3.608) 4.457 6.674 ( -2.532 0.400 2.052) 3.283 6.725 ( -3.238 -3.052 2.808) 5.261 6.828 ( -3.167 4.387 7.699) 9.410 6.910 ( -1.289 -2.910 3.651) 4.843 7.133 ( 1.875 3.388 -1.459) 4.138 7.200 ( 4.306 -2.105 -3.954) 6.214 7.322 ( -1.533 3.676 0.676) 4.040 7.344 ( -3.558 1.378 -3.016) 4.864 7.493 ( 5.173 2.905 1.561) 6.135 7.590 ( 5.896 -7.227 4.739) 10.462 7.759 ( -3.432 3.793 3.259) 6.066 7.839 ( -4.098 -3.652 1.488) 5.687 8.015 ( 2.441 6.856 0.275) 7.283 8.180 ( 1.767 -9.164 -0.801) 9.367 8.504 ( 2.342 1.271 -3.986) 4.794 8.529 ( 1.870 -0.934 -3.692) 4.243 8.721 ( -3.720 1.163 0.406) 3.919 8.758 ( -3.412 -2.420 -0.461) 4.208 9.064 ( 2.294 0.595 -5.547) 6.032 9.093 ( 2.480 -2.097 -5.265) 6.186======================= Grid point 148 (82/116) =======================q-point: (-0.38 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( -6.440 8.000 4.722) 11.303 1.826 ( -2.018 1.742 1.565) 3.091 1.859 ( -1.860 -1.065 3.794) 4.358 1.900 ( 3.486 -5.094 1.755) 6.417 2.167 ( -2.774 3.304 1.895) 4.711 2.225 ( 1.740 -0.786 0.506) 1.975 2.247 ( -3.777 -1.239 0.065) 3.976 2.303 ( -1.031 -4.009 -0.827) 4.221 2.554 ( 7.129 3.163 -6.668) 10.261 2.655 ( 3.281 -3.152 -2.515) 5.199 2.688 ( 4.397 -2.748 -2.673) 5.833 2.746 ( 3.564 -6.642 -4.790) 8.931 2.942 ( 0.776 4.787 -0.326) 4.861 3.040 ( 2.614 -5.045 -2.045) 6.039 3.350 ( -0.574 5.770 2.034) 6.145 3.430 ( -0.062 -1.863 0.251) 1.881 3.589 ( -0.811 1.652 -2.341) 2.978 3.634 ( -0.867 -2.650 -1.887) 3.367 3.928 ( -3.071 2.921 2.160) 4.757 3.956 ( -3.623 0.538 3.115) 4.808 4.183 ( -3.172 6.240 3.531) 7.840 4.239 ( -0.261 0.920 3.040) 3.187 4.438 ( 1.335 2.159 1.821) 3.124 4.521 ( 0.395 -4.451 -1.422) 4.690 6.355 ( 1.521 2.965 6.054) 6.910 6.370 ( 0.432 1.182 3.671) 3.881 6.496 ( -3.964 2.597 -0.785) 4.804 6.538 ( -1.414 0.840 -1.837) 2.465 6.635 ( -2.234 -0.470 1.885) 2.961 6.687 ( -1.056 -3.378 1.365) 3.794 6.793 ( -2.663 4.121 8.242) 9.592 6.887 ( -2.138 -4.362 4.886) 6.890 7.156 ( 1.061 3.929 -5.001) 6.448 7.226 ( -0.210 -2.740 -6.257) 6.834 7.310 ( 1.278 4.018 0.937) 4.319 7.362 ( 3.355 -0.885 2.422) 4.232 7.561 ( -0.397 7.788 -0.014) 7.798 7.689 ( 2.183 -2.392 4.358) 5.429 7.741 ( 0.845 -1.829 1.850) 2.735 7.786 ( 1.724 -3.642 2.852) 4.937 8.085 ( 4.221 5.248 0.145) 6.737 8.221 ( 2.642 -8.172 -0.824) 8.628 8.514 ( -0.181 1.113 -4.908) 5.036 8.539 ( -0.623 -1.224 -3.854) 4.092 8.653 ( -2.538 1.772 -0.325) 3.112 8.694 ( -2.622 -2.322 -1.056) 3.658 9.100 ( 2.713 1.172 -4.637) 5.498 9.136 ( 3.174 -2.342 -4.748) 6.173======================= Grid point 149 (83/116) =======================q-point: (-0.25 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( -2.019 12.040 6.246) 13.713 1.771 ( -2.933 3.971 5.933) 7.718 1.889 ( 1.769 0.664 5.137) 5.473 1.989 ( 4.656 -6.219 1.751) 7.964 2.084 ( -3.861 3.907 -1.689) 5.747 2.205 ( -1.190 -5.582 -0.428) 5.723 2.245 ( 0.449 0.069 -0.540) 0.705 2.298 ( 0.419 -5.313 -0.052) 5.329 2.683 ( 6.064 1.550 -6.315) 8.891 2.710 ( 3.039 -1.061 -4.095) 5.209 2.746 ( 2.464 0.381 -3.468) 4.271 2.823 ( 4.927 -6.269 -5.313) 9.582 2.968 ( 2.235 5.127 -0.164) 5.595 3.082 ( 2.103 -5.720 -2.209) 6.483 3.347 ( -0.569 6.296 0.944) 6.392 3.414 ( -0.410 0.288 0.191) 0.536 3.579 ( 1.224 1.320 -0.999) 2.058 3.630 ( 1.792 -2.888 -0.991) 3.540 3.862 ( -4.954 3.714 4.628) 7.730 3.894 ( -3.993 -0.081 4.221) 5.811 4.105 ( -5.039 5.509 3.074) 8.074 4.215 ( -3.301 -3.388 2.094) 5.173 4.450 ( -1.093 1.577 1.918) 2.713 4.515 ( -0.704 -4.251 -1.004) 4.424 6.342 ( -2.153 1.929 0.490) 2.932 6.383 ( -0.229 -1.713 4.128) 4.476 6.452 ( -1.088 5.937 3.020) 6.749 6.561 ( 1.278 -2.776 5.529) 6.317 6.601 ( -0.562 3.865 0.284) 3.916 6.685 ( 0.243 -3.072 1.820) 3.578 6.776 ( -1.184 3.805 8.269) 9.179 6.865 ( -1.102 -4.449 3.594) 5.825 7.153 ( 0.074 2.375 -4.742) 5.304 7.198 ( -0.926 -2.133 -4.729) 5.269 7.339 ( 0.318 5.161 0.044) 5.171 7.415 ( 0.736 -1.866 2.422) 3.144 7.528 ( -0.028 8.427 -2.571) 8.810 7.695 ( 0.038 -7.219 -1.632) 7.402 7.803 ( 3.579 3.453 4.597) 6.772 7.890 ( 4.431 -5.049 4.639) 8.164 8.162 ( 3.406 4.062 -1.894) 5.629 8.266 ( 1.713 -6.629 -1.569) 7.025 8.473 ( -2.864 0.520 -2.847) 4.071 8.479 ( -2.832 -0.021 -3.212) 4.282 8.645 ( 1.655 0.966 -2.154) 2.883 8.669 ( 0.787 -1.597 -1.948) 2.639 9.137 ( 2.124 1.957 -4.515) 5.359 9.179 ( 2.245 -2.227 -4.296) 5.334======================= Grid point 150 (84/116) =======================q-point: (-0.12 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.697 ( 2.239 12.268 6.928) 14.266 1.757 ( -0.177 9.811 7.291) 12.225 1.938 ( 1.448 0.312 7.971) 8.107 2.031 ( -0.853 4.689 -4.443) 6.516 2.065 ( 2.450 -4.816 0.642) 5.441 2.194 ( 0.410 -10.065 -1.161) 10.140 2.251 ( 0.342 -0.180 0.045) 0.389 2.323 ( 1.928 -6.350 2.145) 6.974 2.722 ( 0.641 1.212 -5.248) 5.424 2.738 ( 1.260 -0.965 -5.771) 5.985 2.789 ( 2.229 2.963 -6.417) 7.411 2.862 ( 0.892 -3.373 -5.105) 6.184 3.020 ( 2.435 2.777 -0.497) 3.726 3.093 ( -0.193 -3.343 -2.020) 3.911 3.354 ( 2.351 8.897 1.936) 9.404 3.456 ( 4.113 -1.150 -2.239) 4.822 3.619 ( 0.128 2.161 0.021) 2.165 3.675 ( 0.933 -2.212 -1.711) 2.948 3.791 ( -1.663 3.466 6.079) 7.193 3.824 ( -3.266 0.527 7.439) 8.141 4.031 ( -2.996 1.522 3.303) 4.712 4.125 ( -6.172 -6.499 2.536) 9.314 4.409 ( -3.185 2.434 1.290) 4.211 4.491 ( -1.452 -5.553 -0.547) 5.766 6.327 ( 0.282 2.574 1.710) 3.103 6.387 ( 0.018 -2.971 1.788) 3.468 6.449 ( -0.709 6.128 5.801) 8.469 6.554 ( -1.056 -3.736 4.575) 6.000 6.647 ( 2.494 3.633 3.761) 5.793 6.707 ( 1.099 -2.309 5.146) 5.747 6.794 ( 0.852 3.104 6.100) 6.898 6.861 ( -0.152 -3.127 0.751) 3.219 7.135 ( -0.917 1.399 -2.504) 3.011 7.167 ( -1.068 -1.904 -3.281) 3.941 7.315 ( -1.768 6.813 -0.633) 7.067 7.415 ( -0.737 -2.369 1.269) 2.787 7.561 ( 3.346 7.224 -3.791) 8.818 7.718 ( 2.380 -7.530 -2.084) 8.168 7.840 ( -0.796 3.669 1.639) 4.097 7.937 ( -0.721 -5.763 1.973) 6.134 8.182 ( -0.712 2.539 -4.252) 5.003 8.247 ( -3.090 -4.280 -2.276) 5.749 8.438 ( 0.429 0.421 -1.223) 1.363 8.450 ( 0.309 -0.632 -1.512) 1.668 8.694 ( 3.849 1.058 -1.934) 4.436 8.713 ( 3.976 -0.849 -0.973) 4.181 9.151 ( 0.595 2.420 -5.121) 5.695 9.193 ( 0.265 -1.743 -4.367) 4.709======================= Grid point 175 (85/116) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 1.988 0.000 17.781) 17.891 1.565 ( -1.813 0.000 15.711) 15.815 1.811 ( -0.438 0.000 -11.489) 11.497 1.886 ( -0.921 0.000 -10.990) 11.029 2.043 ( -5.018 0.000 9.301) 10.569 2.234 ( 4.050 0.000 -8.074) 9.033 2.415 ( -1.087 0.000 3.183) 3.364 2.500 ( 1.398 0.000 0.288) 1.427 2.707 ( -5.627 0.000 13.138) 14.293 2.802 ( 7.802 0.000 0.621) 7.826 2.918 ( 0.634 0.000 2.404) 2.486 3.062 ( 1.218 0.000 -5.212) 5.352 3.071 ( 0.121 0.000 6.771) 6.772 3.177 ( -3.092 0.000 -0.452) 3.125 3.212 ( 3.634 0.000 1.164) 3.815 3.337 ( -0.006 0.000 -10.788) 10.788 3.466 ( -1.054 0.000 2.144) 2.389 3.526 ( -0.590 0.000 -3.222) 3.276 3.789 ( -3.204 0.000 2.743) 4.217 3.829 ( 4.206 0.000 0.302) 4.217 4.136 ( -2.540 0.000 6.269) 6.764 4.233 ( 5.051 0.000 -4.659) 6.871 4.276 ( -8.978 0.000 3.815) 9.755 4.521 ( 4.393 0.000 -15.140) 15.764 6.117 ( -3.156 0.000 3.029) 4.374 6.172 ( 3.097 0.000 -2.261) 3.834 6.551 ( 2.724 0.000 -0.001) 2.724 6.566 ( -1.162 0.000 -1.783) 2.129 6.717 ( -4.685 0.000 8.420) 9.635 6.862 ( 6.503 0.000 -5.476) 8.502 6.942 ( 1.260 0.000 0.664) 1.425 6.969 ( -1.819 0.000 -1.581) 2.410 7.025 ( 3.319 0.000 4.508) 5.598 7.120 ( -5.133 0.000 -4.996) 7.163 7.204 ( 4.213 0.000 14.794) 15.382 7.262 ( -1.074 0.000 9.008) 9.072 7.332 ( -0.043 0.000 -3.682) 3.682 7.617 ( -4.395 0.000 -17.209) 17.761 7.914 ( -0.741 0.000 7.919) 7.953 8.099 ( -0.174 0.000 -8.185) 8.187 8.285 ( 3.921 0.000 4.017) 5.613 8.362 ( -2.387 0.000 -3.450) 4.195 8.466 ( 3.413 0.000 3.656) 5.002 8.537 ( -6.421 0.000 -2.323) 6.828 8.700 ( 0.035 0.000 2.995) 2.996 8.779 ( 4.436 0.000 -3.542) 5.677 8.990 ( 4.094 0.000 3.794) 5.581 9.075 ( -4.820 0.000 -3.901) 6.201======================= Grid point 176 (86/116) =======================q-point: ( 0.12 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.514 ( -0.529 0.000 16.704) 16.712 1.600 ( 1.701 0.000 4.473) 4.786 1.777 ( 0.178 0.000 -2.555) 2.561 1.863 ( 1.533 0.000 -10.146) 10.261 1.995 ( -2.154 0.000 8.594) 8.860 2.270 ( 1.511 0.000 -7.819) 7.964 2.423 ( 1.272 0.000 5.278) 5.429 2.514 ( -0.815 0.000 -3.339) 3.437 2.683 ( 1.584 0.000 5.989) 6.195 2.922 ( 2.210 0.000 0.247) 2.224 2.951 ( 1.354 0.000 5.226) 5.398 3.066 ( 0.457 0.000 -4.349) 4.373 3.107 ( 1.859 0.000 6.974) 7.217 3.129 ( -0.756 0.000 -4.148) 4.216 3.315 ( 6.344 0.000 1.043) 6.429 3.332 ( 2.156 0.000 -6.159) 6.526 3.462 ( 0.225 0.000 1.853) 1.866 3.515 ( -0.260 0.000 -2.767) 2.779 3.719 ( -4.624 0.000 2.155) 5.102 3.908 ( 4.094 0.000 -2.161) 4.629 4.039 ( -7.116 0.000 -0.100) 7.116 4.130 ( -7.992 0.000 10.368) 13.091 4.239 ( -3.165 0.000 -4.498) 5.500 4.547 ( 2.021 0.000 -10.814) 11.001 6.084 ( -1.019 0.000 2.768) 2.949 6.240 ( 4.351 0.000 -1.868) 4.735 6.544 ( -0.557 0.000 -2.783) 2.838 6.576 ( -2.288 0.000 1.638) 2.814 6.635 ( -3.178 0.000 2.955) 4.340 6.911 ( -1.135 0.000 -3.038) 3.243 6.937 ( 0.277 0.000 -5.538) 5.544 6.954 ( -1.130 0.000 3.044) 3.247 7.022 ( -2.770 0.000 -1.926) 3.374 7.086 ( 1.241 0.000 5.150) 5.297 7.292 ( 5.089 0.000 5.218) 7.289 7.333 ( 1.430 0.000 17.792) 17.850 7.361 ( 2.724 0.000 -5.404) 6.052 7.466 ( -5.087 0.000 -14.601) 15.462 7.914 ( -1.730 0.000 8.985) 9.150 8.067 ( -0.841 0.000 -6.757) 6.810 8.302 ( -2.220 0.000 -6.117) 6.508 8.315 ( -3.404 0.000 5.842) 6.762 8.445 ( -1.056 0.000 -2.079) 2.332 8.548 ( 3.440 0.000 4.265) 5.480 8.740 ( 3.978 0.000 -0.883) 4.075 8.844 ( 3.151 0.000 -5.224) 6.100 8.956 ( -5.982 0.000 -3.822) 7.099 9.073 ( 3.120 0.000 4.125) 5.172======================= Grid point 177 (87/116) =======================q-point: ( 0.25 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 4.297 0.000 10.126) 11.000 1.632 ( 2.795 0.000 -9.086) 9.507 1.836 ( 4.383 0.000 8.905) 9.925 1.881 ( 2.154 0.000 -5.735) 6.127 1.997 ( -0.042 0.000 6.484) 6.484 2.254 ( -0.734 0.000 -7.378) 7.415 2.462 ( -3.417 0.000 0.478) 3.450 2.501 ( 4.894 0.000 7.298) 8.787 2.774 ( 5.851 0.000 -3.550) 6.843 2.847 ( -8.750 0.000 -0.652) 8.774 3.001 ( 2.855 0.000 6.090) 6.726 3.029 ( -3.606 0.000 -0.824) 3.699 3.154 ( 3.908 0.000 -6.820) 7.860 3.166 ( 2.212 0.000 2.650) 3.452 3.379 ( 2.113 0.000 2.011) 2.917 3.445 ( 5.889 0.000 1.256) 6.022 3.475 ( 0.064 0.000 3.432) 3.432 3.485 ( -1.894 0.000 -3.088) 3.622 3.634 ( -4.157 0.000 1.762) 4.515 3.884 ( -3.649 0.000 -6.593) 7.536 3.991 ( -7.756 0.000 11.717) 14.052 4.044 ( 6.262 0.000 -4.405) 7.656 4.112 ( -8.066 0.000 -2.770) 8.528 4.535 ( -1.115 0.000 -6.148) 6.248 6.093 ( 1.231 0.000 2.474) 2.764 6.324 ( 4.542 0.000 -1.232) 4.706 6.466 ( -7.472 0.000 4.100) 8.523 6.532 ( 0.390 0.000 -4.158) 4.176 6.632 ( 0.280 0.000 -0.145) 0.315 6.864 ( -2.520 0.000 -1.542) 2.954 6.919 ( -2.832 0.000 4.624) 5.423 6.936 ( 1.601 0.000 -4.505) 4.781 6.989 ( -0.970 0.000 0.029) 0.971 7.115 ( 0.366 0.000 3.846) 3.863 7.277 ( -4.787 0.000 -15.475) 16.198 7.356 ( -2.314 0.000 16.079) 16.245 7.421 ( 4.275 0.000 2.782) 5.101 7.477 ( 5.062 0.000 -4.537) 6.797 7.897 ( -2.389 0.000 9.661) 9.952 8.033 ( -1.145 0.000 -4.522) 4.665 8.230 ( -5.599 0.000 6.237) 8.381 8.255 ( -0.496 0.000 -7.993) 8.009 8.448 ( 0.607 0.000 -0.789) 0.995 8.605 ( 1.359 0.000 2.393) 2.752 8.839 ( 2.802 0.000 2.499) 3.755 8.848 ( -0.198 0.000 -7.590) 7.593 8.868 ( 0.677 0.000 -4.319) 4.372 9.123 ( 1.042 0.000 2.361) 2.580======================= Grid point 178 (88/116) =======================q-point: ( 0.38 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( 3.904 0.000 -6.516) 7.596 1.707 ( 4.616 0.000 1.893) 4.989 1.927 ( 4.411 0.000 1.268) 4.590 1.955 ( 4.917 0.000 7.500) 8.968 2.025 ( 2.033 0.000 3.264) 3.846 2.215 ( -1.146 0.000 -6.908) 7.002 2.404 ( -2.387 0.000 1.640) 2.896 2.590 ( -7.563 0.000 5.056) 9.098 2.685 ( 2.988 0.000 3.881) 4.898 2.842 ( 1.865 0.000 -3.061) 3.584 2.943 ( -4.974 0.000 0.499) 4.999 3.096 ( 3.483 0.000 5.068) 6.149 3.182 ( 0.056 0.000 -5.619) 5.619 3.211 ( 3.622 0.000 -7.132) 7.999 3.373 ( -3.635 0.000 3.931) 5.354 3.403 ( -4.171 0.000 -3.808) 5.648 3.501 ( 1.197 0.000 7.502) 7.597 3.551 ( 3.175 0.000 2.564) 4.081 3.604 ( 2.061 0.000 -0.033) 2.061 3.770 ( -8.388 0.000 5.262) 9.902 3.933 ( 1.973 0.000 -6.960) 7.234 3.949 ( -7.875 0.000 1.566) 8.029 4.190 ( 8.675 0.000 -3.029) 9.188 4.472 ( -3.907 0.000 -4.005) 5.595 6.142 ( 2.989 0.000 2.335) 3.793 6.339 ( -6.199 0.000 2.124) 6.553 6.399 ( 2.968 0.000 0.946) 3.115 6.536 ( 1.060 0.000 -5.134) 5.242 6.631 ( -0.396 0.000 3.135) 3.160 6.803 ( -3.317 0.000 -2.238) 4.002 6.888 ( -1.433 0.000 3.436) 3.723 6.947 ( 0.396 0.000 -3.140) 3.165 7.029 ( 5.253 0.000 1.239) 5.397 7.106 ( -2.279 0.000 2.284) 3.227 7.174 ( -1.964 0.000 -9.796) 9.990 7.326 ( -4.634 0.000 14.125) 14.865 7.451 ( -1.303 0.000 -1.498) 1.986 7.554 ( 4.233 0.000 -7.472) 8.587 7.882 ( -1.722 0.000 9.521) 9.675 8.004 ( -0.501 0.000 -2.980) 3.022 8.152 ( -4.319 0.000 7.442) 8.604 8.246 ( 1.778 0.000 -8.555) 8.738 8.463 ( 1.338 0.000 0.480) 1.421 8.608 ( -1.388 0.000 -0.424) 1.451 8.800 ( -0.432 0.000 -0.317) 0.536 8.854 ( -1.021 0.000 -2.577) 2.772 8.965 ( 6.521 0.000 -2.769) 7.084 9.123 ( -1.490 0.000 0.411) 1.546======================= Grid point 179 (89/116) =======================q-point: (-0.50 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.690 ( -5.822 0.000 1.690) 6.063 1.722 ( 1.050 0.000 -1.032) 1.472 2.013 ( 1.525 0.000 7.731) 7.880 2.018 ( -1.695 0.000 4.225) 4.552 2.117 ( 4.848 0.000 -4.262) 6.455 2.177 ( -0.860 0.000 -6.808) 6.862 2.417 ( -4.587 0.000 0.415) 4.606 2.428 ( 6.842 0.000 0.500) 6.860 2.833 ( -2.624 0.000 0.932) 2.785 2.840 ( -4.783 0.000 1.326) 4.963 2.876 ( 9.221 0.000 9.232) 13.048 3.073 ( -3.961 0.000 -0.967) 4.077 3.132 ( -5.699 0.000 -3.737) 6.815 3.216 ( -3.828 0.000 -0.424) 3.851 3.321 ( 0.221 0.000 0.170) 0.279 3.388 ( 3.861 0.000 -3.192) 5.010 3.535 ( -0.249 0.000 6.180) 6.185 3.583 ( -0.243 0.000 5.882) 5.887 3.646 ( -4.386 0.000 3.193) 5.425 3.704 ( 5.664 0.000 -3.141) 6.477 3.842 ( -1.876 0.000 1.826) 2.618 3.974 ( 3.438 0.000 -7.456) 8.210 4.342 ( 7.417 0.000 -2.504) 7.828 4.371 ( -5.079 0.000 -4.913) 7.066 6.214 ( 3.570 0.000 2.863) 4.576 6.240 ( -4.536 0.000 1.350) 4.733 6.435 ( 0.220 0.000 2.537) 2.546 6.535 ( 0.206 0.000 -6.035) 6.039 6.649 ( 1.248 0.000 6.549) 6.667 6.733 ( -2.937 0.000 -3.113) 4.280 6.877 ( -0.542 0.000 1.567) 1.658 6.959 ( 1.690 0.000 -3.349) 3.752 7.045 ( -4.440 0.000 2.333) 5.015 7.120 ( 2.475 0.000 -5.490) 6.022 7.196 ( 6.730 0.000 3.825) 7.742 7.246 ( -6.297 0.000 5.285) 8.221 7.401 ( -2.963 0.000 3.156) 4.328 7.599 ( 2.977 0.000 -9.216) 9.685 7.882 ( -0.654 0.000 8.315) 8.341 8.006 ( 1.616 0.000 -3.467) 3.825 8.099 ( -3.417 0.000 8.116) 8.806 8.272 ( 3.003 0.000 -8.067) 8.608 8.507 ( 2.808 0.000 2.005) 3.451 8.556 ( -3.344 0.000 -2.158) 3.979 8.812 ( 1.212 0.000 0.220) 1.232 8.819 ( -1.967 0.000 -1.219) 2.314 9.070 ( -3.736 0.000 -1.161) 3.912 9.071 ( 5.045 0.000 -2.090) 5.461======================= Grid point 180 (90/116) =======================q-point: (-0.38 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( -9.916 0.000 6.312) 11.755 1.705 ( -2.588 0.000 2.231) 3.417 1.928 ( -5.761 0.000 -0.492) 5.782 2.051 ( 0.444 0.000 7.446) 7.459 2.114 ( -1.844 0.000 -6.500) 6.757 2.151 ( 0.177 0.000 -6.740) 6.743 2.432 ( 3.770 0.000 -1.268) 3.978 2.646 ( 12.503 0.000 -0.577) 12.516 2.719 ( -7.862 0.000 7.384) 10.786 2.741 ( -6.998 0.000 2.332) 7.376 2.991 ( -4.681 0.000 -2.310) 5.220 3.027 ( -3.282 0.000 6.187) 7.004 3.078 ( 4.967 0.000 2.898) 5.750 3.132 ( -0.184 0.000 4.792) 4.796 3.357 ( 2.399 0.000 -0.851) 2.545 3.403 ( -3.897 0.000 1.366) 4.130 3.515 ( -2.223 0.000 2.546) 3.380 3.625 ( 0.719 0.000 0.714) 1.014 3.631 ( 5.017 0.000 -1.625) 5.274 3.700 ( -1.650 0.000 1.306) 2.104 3.942 ( 6.943 0.000 -1.985) 7.221 4.018 ( 2.815 0.000 -3.955) 4.854 4.274 ( -1.464 0.000 -10.139) 10.244 4.449 ( 4.028 0.000 -1.877) 4.444 6.172 ( -2.668 0.000 -0.083) 2.670 6.277 ( 1.078 0.000 4.450) 4.578 6.433 ( -0.956 0.000 4.491) 4.592 6.525 ( 1.533 0.000 -7.201) 7.362 6.678 ( -2.024 0.000 -2.751) 3.415 6.716 ( 3.443 0.000 9.039) 9.672 6.872 ( -0.444 0.000 0.869) 0.976 6.953 ( -5.805 0.000 4.382) 7.273 6.983 ( 1.627 0.000 -4.195) 4.499 7.143 ( -4.088 0.000 -1.211) 4.264 7.162 ( 3.073 0.000 -3.173) 4.417 7.350 ( 6.588 0.000 3.893) 7.653 7.362 ( -2.847 0.000 8.187) 8.668 7.635 ( 3.721 0.000 -10.267) 10.920 7.898 ( -0.077 0.000 7.225) 7.225 8.043 ( 3.139 0.000 -5.327) 6.183 8.069 ( -1.453 0.000 7.999) 8.130 8.310 ( 2.931 0.000 -7.400) 7.959 8.483 ( -3.099 0.000 -1.470) 3.430 8.571 ( 2.880 0.000 2.570) 3.860 8.774 ( -2.539 0.000 0.346) 2.563 8.829 ( 0.106 0.000 0.030) 0.110 8.982 ( -4.471 0.000 -2.565) 5.155 9.145 ( 3.028 0.000 -2.032) 3.646======================= Grid point 181 (91/116) =======================q-point: (-0.25 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( -6.541 0.000 12.238) 13.877 1.658 ( -3.500 0.000 6.861) 7.702 1.840 ( -1.838 0.000 -6.216) 6.482 2.026 ( -3.051 0.000 -6.658) 7.324 2.096 ( 0.263 0.000 5.620) 5.626 2.148 ( 1.468 0.000 -7.164) 7.313 2.481 ( 0.127 0.000 -1.538) 1.543 2.605 ( -6.907 0.000 2.463) 7.333 2.619 ( -2.572 0.000 8.108) 8.506 2.819 ( 2.887 0.000 3.015) 4.174 2.922 ( -2.423 0.000 10.576) 10.850 3.012 ( 0.342 0.000 1.084) 1.136 3.057 ( -1.132 0.000 0.162) 1.143 3.237 ( 3.190 0.000 -1.340) 3.460 3.286 ( -7.582 0.000 5.217) 9.203 3.395 ( 0.639 0.000 4.285) 4.332 3.482 ( -0.935 0.000 -1.976) 2.186 3.623 ( -1.770 0.000 -7.713) 7.913 3.662 ( 3.023 0.000 0.554) 3.073 3.801 ( 6.551 0.000 1.043) 6.634 3.988 ( 0.667 0.000 -0.641) 0.925 4.068 ( 2.821 0.000 0.755) 2.920 4.320 ( 8.724 0.000 -15.894) 18.130 4.479 ( -0.663 0.000 -0.834) 1.066 6.136 ( -0.759 0.000 -1.472) 1.656 6.259 ( -3.684 0.000 4.140) 5.541 6.441 ( 0.820 0.000 4.821) 4.890 6.584 ( 6.055 0.000 -6.558) 8.926 6.639 ( -1.170 0.000 -1.392) 1.819 6.809 ( -0.179 0.000 7.884) 7.886 6.851 ( 0.719 0.000 6.970) 7.007 6.895 ( -0.168 0.000 3.764) 3.768 6.998 ( 0.893 0.000 -3.019) 3.149 7.085 ( -2.105 0.000 0.169) 2.112 7.200 ( 1.532 0.000 -3.899) 4.189 7.330 ( -2.855 0.000 8.341) 8.816 7.435 ( 1.091 0.000 -0.261) 1.122 7.685 ( 3.964 0.000 -12.182) 12.811 7.907 ( -0.939 0.000 6.922) 6.985 8.084 ( 2.624 0.000 -7.308) 7.765 8.098 ( 2.379 0.000 7.069) 7.458 8.349 ( 3.116 0.000 -5.274) 6.126 8.442 ( -1.238 0.000 0.064) 1.240 8.623 ( 1.806 0.000 1.332) 2.244 8.727 ( -2.462 0.000 2.739) 3.683 8.804 ( -2.947 0.000 0.710) 3.031 8.908 ( -1.704 0.000 -3.213) 3.637 9.174 ( 0.639 0.000 -2.608) 2.685======================= Grid point 182 (92/116) =======================q-point: (-0.12 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( 0.555 0.000 16.544) 16.553 1.597 ( -5.317 0.000 15.206) 16.109 1.827 ( 1.959 0.000 -12.491) 12.643 1.948 ( -2.461 0.000 -9.600) 9.911 2.100 ( -2.296 0.000 7.331) 7.682 2.176 ( 3.645 0.000 -8.193) 8.967 2.442 ( -2.577 0.000 2.584) 3.649 2.509 ( -3.464 0.000 4.111) 5.375 2.670 ( 4.977 0.000 2.293) 5.480 2.788 ( -6.113 0.000 16.079) 17.202 2.920 ( -0.720 0.000 0.043) 0.721 3.044 ( 1.508 0.000 4.277) 4.535 3.052 ( 0.664 0.000 -2.296) 2.390 3.190 ( -2.532 0.000 3.188) 4.071 3.235 ( -2.112 0.000 -1.365) 2.515 3.378 ( -1.644 0.000 -5.020) 5.282 3.477 ( -0.092 0.000 0.180) 0.202 3.565 ( -2.082 0.000 -5.761) 6.126 3.741 ( 4.525 0.000 1.397) 4.736 3.832 ( -2.146 0.000 3.748) 4.319 4.096 ( 9.402 0.000 -5.551) 10.918 4.123 ( 1.620 0.000 5.343) 5.583 4.417 ( -5.686 0.000 0.795) 5.741 4.447 ( 7.765 0.000 -16.162) 17.931 6.136 ( 1.245 0.000 -2.202) 2.530 6.185 ( -4.484 0.000 3.330) 5.585 6.490 ( 2.921 0.000 2.760) 4.019 6.597 ( -1.381 0.000 -1.896) 2.345 6.727 ( 8.178 0.000 -4.469) 9.319 6.764 ( -3.352 0.000 8.746) 9.367 6.911 ( 2.011 0.000 -1.144) 2.313 6.963 ( 2.767 0.000 8.599) 9.033 6.997 ( -0.512 0.000 -1.551) 1.633 7.082 ( 2.089 0.000 10.631) 10.834 7.195 ( -1.052 0.000 -4.877) 4.989 7.294 ( -3.006 0.000 6.727) 7.368 7.392 ( -3.828 0.000 -4.626) 6.004 7.698 ( 0.609 0.000 -15.156) 15.168 7.908 ( -0.796 0.000 7.191) 7.235 8.107 ( 1.695 0.000 -8.037) 8.214 8.185 ( 4.526 0.000 5.350) 7.008 8.393 ( 1.346 0.000 -1.516) 2.028 8.421 ( -0.417 0.000 -0.107) 0.430 8.634 ( -1.269 0.000 -3.426) 3.654 8.717 ( 1.481 0.000 1.084) 1.835 8.728 ( -4.581 0.000 4.972) 6.760 8.914 ( 2.620 0.000 0.066) 2.620 9.153 ( -2.120 0.000 -3.389) 3.997======================= Grid point 183 (93/116) =======================q-point: ( 0.00 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.527 ( 1.320 6.341 13.943) 15.374 1.621 ( -1.003 5.660 15.497) 16.528 1.795 ( -0.746 -0.025 -8.250) 8.284 1.953 ( -0.475 5.035 -11.488) 12.552 2.063 ( -4.080 1.997 8.276) 9.440 2.252 ( 4.053 1.409 -9.543) 10.463 2.366 ( 0.356 -3.263 8.194) 8.827 2.523 ( -0.055 1.079 -5.328) 5.436 2.721 ( -0.817 -0.126 7.363) 7.409 2.768 ( 1.180 -3.167 0.807) 3.474 2.860 ( -0.240 -5.744 3.084) 6.523 2.964 ( 1.717 -7.276 -3.780) 8.377 3.076 ( 0.954 0.988 7.999) 8.116 3.183 ( 0.313 -1.525 -2.260) 2.744 3.213 ( 0.174 1.535 3.717) 4.025 3.386 ( 0.651 4.003 -9.547) 10.373 3.475 ( -0.642 1.033 2.208) 2.521 3.536 ( -1.549 0.945 -3.281) 3.749 3.805 ( -2.805 1.557 3.495) 4.744 3.865 ( 4.249 3.031 -0.682) 5.263 4.132 ( -2.611 -0.395 5.110) 5.752 4.202 ( 2.900 -2.458 -2.109) 4.348 4.295 ( -6.905 1.409 2.934) 7.633 4.510 ( 4.330 -0.968 -13.051) 13.785 6.167 ( -3.263 4.635 2.546) 6.214 6.216 ( 3.132 3.930 -2.112) 5.451 6.584 ( 3.176 2.692 0.750) 4.231 6.611 ( -1.885 4.105 -1.655) 4.811 6.706 ( -3.046 -0.993 8.351) 8.944 6.845 ( 3.650 -2.199 -4.183) 5.971 6.932 ( 2.263 -0.159 1.192) 2.563 6.963 ( -0.139 -0.770 -0.579) 0.974 7.050 ( 0.995 2.238 2.382) 3.417 7.111 ( -3.003 -0.246 -2.206) 3.734 7.195 ( 2.336 -0.545 10.021) 10.304 7.295 ( 0.699 2.746 3.163) 4.247 7.351 ( -1.051 1.889 1.239) 2.492 7.621 ( -4.113 0.300 -16.036) 16.558 7.905 ( -0.742 -0.849 7.286) 7.373 8.073 ( -0.040 -2.489 -7.252) 7.667 8.251 ( 3.619 -3.107 4.726) 6.715 8.349 ( -2.352 -1.165 -4.192) 4.946 8.419 ( -2.600 -4.461 4.288) 6.712 8.507 ( 0.255 -2.791 -3.169) 4.230 8.716 ( 1.629 1.585 3.044) 3.799 8.796 ( 2.331 1.493 -3.563) 4.511 8.995 ( 3.473 0.553 3.170) 4.734 9.079 ( -4.391 0.306 -4.124) 6.032======================= Grid point 184 (94/116) =======================q-point: ( 0.12 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.559 ( -0.896 4.601 11.034) 11.989 1.676 ( 2.226 6.971 9.895) 12.307 1.764 ( -0.084 0.082 -4.131) 4.133 1.922 ( 0.428 4.745 -9.320) 10.467 2.025 ( -1.683 2.753 7.200) 7.890 2.282 ( 1.315 0.811 -8.490) 8.629 2.401 ( 1.439 -1.630 7.545) 7.852 2.519 ( -0.251 0.268 -4.873) 4.886 2.664 ( -0.748 -2.482 -0.065) 2.593 2.845 ( -2.057 -7.536 2.313) 8.147 2.882 ( 5.137 -4.303 2.674) 7.215 2.996 ( 2.224 -6.540 -3.591) 7.785 3.100 ( -0.467 -2.493 1.603) 3.000 3.170 ( 0.292 3.396 2.192) 4.053 3.278 ( 3.065 -1.174 3.375) 4.707 3.401 ( 2.648 4.283 -5.987) 7.823 3.467 ( -0.405 0.548 1.552) 1.695 3.514 ( -0.301 0.331 -0.875) 0.983 3.726 ( -5.027 0.957 1.733) 5.403 3.954 ( 5.172 3.660 -2.779) 6.919 4.035 ( -5.671 -0.308 -0.073) 5.680 4.147 ( -8.416 2.293 9.038) 12.561 4.252 ( -0.164 0.940 -2.205) 2.402 4.545 ( 2.191 -0.432 -9.333) 9.597 6.126 ( -1.482 3.967 2.441) 4.888 6.284 ( 4.187 3.934 -1.595) 5.962 6.563 ( -3.235 1.405 -1.366) 3.782 6.603 ( -2.581 2.460 2.331) 4.260 6.673 ( 0.237 3.353 1.407) 3.644 6.865 ( -0.096 -3.580 -2.560) 4.402 6.916 ( -1.729 0.041 -1.271) 2.146 7.001 ( -0.145 0.235 -2.979) 2.992 7.028 ( -0.900 2.418 1.060) 2.790 7.100 ( 0.539 1.420 3.924) 4.207 7.261 ( 3.517 -2.421 5.589) 7.034 7.354 ( 2.845 -0.155 -5.699) 6.372 7.370 ( 0.689 2.823 13.282) 13.596 7.487 ( -3.912 1.793 -11.654) 12.423 7.899 ( -1.980 -1.498 7.747) 8.135 8.052 ( -0.400 -1.345 -5.524) 5.699 8.281 ( -3.565 -2.044 1.038) 4.238 8.307 ( -1.374 -0.805 -0.998) 1.879 8.380 ( 0.916 -6.024 1.997) 6.412 8.525 ( 1.399 -2.060 -0.332) 2.512 8.773 ( 3.798 2.600 -0.204) 4.607 8.829 ( 2.055 -1.081 -5.723) 6.176 8.966 ( -5.509 0.864 -3.705) 6.695 9.070 ( 2.610 -0.359 3.803) 4.626======================= Grid point 185 (95/116) =======================q-point: ( 0.25 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( 3.465 2.966 4.568) 6.455 1.721 ( 1.917 6.482 -4.239) 7.979 1.805 ( 3.521 -0.321 6.815) 7.677 1.922 ( 1.033 2.894 -2.664) 4.067 2.032 ( 0.510 2.992 5.113) 5.946 2.264 ( -0.732 0.905 -6.999) 7.096 2.465 ( -1.423 -0.790 4.836) 5.103 2.478 ( 2.039 -0.869 2.820) 3.587 2.701 ( 3.002 -6.698 -7.173) 10.263 2.784 ( -4.137 -5.642 0.954) 7.061 2.943 ( 0.587 -2.708 0.701) 2.858 3.024 ( 1.227 -5.743 -1.928) 6.181 3.092 ( 0.660 -6.720 -2.512) 7.204 3.175 ( -2.343 1.172 3.499) 4.371 3.286 ( -2.387 -4.487 2.969) 5.886 3.443 ( 1.243 -0.272 -0.765) 1.485 3.470 ( 1.244 -0.607 -2.157) 2.564 3.530 ( 2.220 3.670 4.165) 5.979 3.665 ( -1.343 2.668 2.024) 3.608 3.964 ( -0.872 5.200 -5.248) 7.439 3.996 ( -8.379 3.245 7.555) 11.740 4.063 ( 6.913 2.502 -4.269) 8.501 4.201 ( -4.748 6.346 1.750) 8.116 4.538 ( -0.948 0.068 -5.443) 5.526 6.126 ( 0.891 3.200 2.455) 4.131 6.361 ( 3.797 2.996 -0.249) 4.843 6.464 ( -6.086 0.608 1.454) 6.287 6.567 ( -0.646 3.088 -2.694) 4.149 6.688 ( 0.255 4.467 -0.208) 4.479 6.849 ( -0.830 -2.296 -2.136) 3.244 6.884 ( -1.531 0.594 0.864) 1.855 6.978 ( -0.451 -0.731 0.573) 1.033 6.999 ( -1.588 3.277 0.455) 3.670 7.136 ( 1.075 1.892 2.642) 3.423 7.278 ( -3.912 -0.019 -12.745) 13.332 7.339 ( 0.676 -2.241 5.420) 5.904 7.406 ( 0.036 0.396 8.254) 8.264 7.514 ( 5.431 2.623 -1.804) 6.295 7.879 ( -1.932 -1.823 8.130) 8.553 8.021 ( -1.796 -0.824 -2.986) 3.580 8.206 ( -4.669 -2.080 4.980) 7.136 8.259 ( -1.131 0.054 -6.170) 6.273 8.423 ( 1.936 -2.748 0.148) 3.365 8.555 ( 1.167 -4.073 1.758) 4.587 8.822 ( 0.316 -1.955 -8.064) 8.304 8.863 ( 2.880 -0.510 -2.220) 3.672 8.873 ( -1.465 2.385 -0.083) 2.800 9.110 ( 0.622 -1.277 2.282) 2.688======================= Grid point 186 (96/116) =======================q-point: ( 0.38 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( 4.509 2.667 -2.779) 5.930 1.772 ( 3.278 4.829 -1.090) 5.937 1.890 ( 5.466 -2.865 1.973) 6.479 1.953 ( 1.874 1.030 5.810) 6.191 2.065 ( 1.526 2.525 3.229) 4.374 2.227 ( -1.055 1.212 -6.193) 6.398 2.409 ( -2.517 0.399 1.075) 2.766 2.552 ( -6.257 -3.405 5.069) 8.743 2.626 ( 1.283 -5.250 4.991) 7.356 2.800 ( 3.611 -4.596 -6.041) 8.406 2.908 ( -4.256 -1.999 -0.592) 4.739 3.025 ( -2.123 -11.701 -4.494) 12.713 3.084 ( -2.501 -6.251 1.663) 6.935 3.115 ( -0.907 -8.129 -1.613) 8.337 3.287 ( 3.516 -1.232 -0.417) 3.749 3.415 ( -3.659 -0.351 2.149) 4.258 3.519 ( 3.321 0.699 -0.648) 3.455 3.600 ( 2.481 3.116 1.590) 4.288 3.668 ( 1.096 4.697 4.706) 6.739 3.844 ( -6.859 7.406 3.673) 10.742 3.996 ( 2.718 7.102 -4.154) 8.665 4.086 ( -5.412 9.284 0.746) 10.772 4.210 ( 7.667 2.293 -1.618) 8.165 4.480 ( -3.591 0.664 -3.705) 5.202 6.171 ( 2.886 2.836 2.484) 4.748 6.351 ( -5.398 1.027 3.568) 6.552 6.430 ( 2.632 2.956 -1.390) 4.195 6.555 ( 0.177 1.949 -4.493) 4.901 6.678 ( -1.272 3.750 2.539) 4.704 6.809 ( -2.259 0.413 -3.990) 4.604 6.867 ( -0.783 -0.590 3.842) 3.965 6.963 ( -0.729 0.367 0.346) 0.886 7.040 ( 4.953 1.458 0.999) 5.259 7.131 ( -1.628 2.183 -0.215) 2.732 7.190 ( -1.765 1.646 -8.682) 9.012 7.318 ( -4.269 -1.151 9.495) 10.474 7.431 ( 0.302 -0.724 2.383) 2.509 7.592 ( 3.339 3.020 -5.948) 7.460 7.872 ( -1.184 -1.297 8.026) 8.216 7.975 ( -1.819 -2.383 -1.447) 3.329 8.137 ( -3.900 -1.448 7.099) 8.228 8.243 ( 1.330 -0.256 -8.087) 8.199 8.459 ( 2.091 -0.612 0.192) 2.187 8.564 ( -0.707 -3.983 0.678) 4.102 8.794 ( -0.926 -1.008 -1.615) 2.117 8.834 ( -0.915 -1.412 -4.307) 4.624 8.959 ( 5.181 -0.586 -1.006) 5.311 9.105 ( -1.359 -1.689 0.102) 2.170======================= Grid point 187 (97/116) =======================q-point: (-0.50 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( -3.877 2.948 2.459) 5.457 1.766 ( -0.717 3.857 -1.660) 4.259 1.968 ( -1.844 -2.689 6.311) 7.104 2.068 ( 3.133 2.941 4.780) 6.428 2.093 ( 3.931 -2.407 -4.403) 6.374 2.192 ( -0.973 1.483 -5.785) 6.051 2.403 ( -2.848 -1.293 0.536) 3.174 2.417 ( 4.360 -1.143 0.382) 4.523 2.721 ( -3.418 -11.084 10.028) 15.333 2.811 ( 0.099 -3.319 2.369) 4.079 2.839 ( 0.891 -0.876 -0.256) 1.275 2.936 ( -2.940 -11.605 -8.124) 14.468 3.016 ( -3.548 -6.609 4.733) 8.870 3.160 ( 4.560 -8.764 -8.055) 12.747 3.318 ( -6.530 0.951 4.623) 8.057 3.385 ( 4.718 0.101 -1.787) 5.046 3.555 ( -0.759 0.800 2.935) 3.136 3.618 ( 0.856 0.478 -2.100) 2.317 3.736 ( 1.840 9.813 3.682) 10.641 3.779 ( 1.574 6.703 -0.797) 6.931 3.946 ( -5.767 9.075 5.880) 12.255 4.074 ( 2.854 8.067 -4.423) 9.633 4.351 ( 6.521 0.969 -1.739) 6.818 4.391 ( -3.637 1.965 -5.224) 6.662 6.243 ( 3.298 2.797 2.783) 5.143 6.269 ( -3.420 2.789 1.330) 4.609 6.455 ( -0.273 1.826 1.956) 2.690 6.540 ( -0.657 0.469 -4.795) 4.863 6.672 ( -0.057 1.851 5.090) 5.417 6.759 ( -1.601 2.272 -2.988) 4.081 6.872 ( 0.265 -0.270 2.353) 2.383 6.956 ( 0.126 -0.384 -2.061) 2.101 7.079 ( -2.578 3.084 1.746) 4.382 7.143 ( 1.043 2.186 -5.181) 5.720 7.178 ( 2.129 -0.989 4.474) 5.053 7.254 ( -1.067 0.180 0.868) 1.387 7.424 ( -1.812 2.473 5.731) 6.499 7.621 ( 2.123 2.082 -8.566) 9.068 7.871 ( -0.980 -1.079 7.042) 7.191 7.965 ( 1.469 -3.823 -1.319) 4.302 8.094 ( -2.639 -0.555 7.287) 7.770 8.263 ( 2.781 -0.813 -7.979) 8.489 8.506 ( 1.960 -0.343 0.988) 2.221 8.535 ( -1.629 -2.236 -1.369) 3.086 8.779 ( -0.779 -2.748 0.649) 2.929 8.802 ( -1.634 -1.598 -1.860) 2.946 9.044 ( 1.755 -1.892 -0.686) 2.670 9.071 ( 0.362 -0.774 -2.897) 3.021======================= Grid point 188 (98/116) =======================q-point: (-0.38 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.586 ( -9.034 4.664 6.285) 11.953 1.748 ( -1.831 4.135 2.079) 4.978 1.893 ( -4.916 -2.728 0.220) 5.626 2.080 ( 0.247 1.002 5.273) 5.373 2.118 ( -1.090 1.496 -6.497) 6.756 2.167 ( -0.178 1.428 -5.232) 5.427 2.421 ( 3.077 -1.179 -0.477) 3.330 2.568 ( -10.051 -10.787 12.014) 19.019 2.609 ( 11.491 -3.540 -0.302) 12.027 2.761 ( -5.293 -1.453 -3.215) 6.361 2.905 ( 1.422 -5.236 -0.565) 5.455 2.965 ( 3.756 -5.190 1.513) 6.583 2.986 ( 2.130 -8.170 4.529) 9.581 3.188 ( -1.846 2.569 0.375) 3.186 3.253 ( 1.225 -7.429 -0.739) 7.565 3.411 ( -1.875 0.675 1.490) 2.488 3.521 ( -2.384 0.377 0.327) 2.436 3.629 ( 0.286 1.619 -1.858) 2.481 3.744 ( -2.030 5.397 -1.745) 6.024 3.815 ( 1.977 11.766 6.419) 13.548 3.949 ( 4.899 2.217 -1.864) 5.691 4.093 ( -0.836 5.339 -0.852) 5.471 4.322 ( 0.374 4.493 -8.828) 9.913 4.457 ( 3.860 0.739 -1.693) 4.279 6.208 ( -2.362 3.479 -0.593) 4.247 6.315 ( 1.916 3.643 3.961) 5.712 6.439 ( -1.542 0.664 3.331) 3.730 6.520 ( 0.717 -0.426 -3.406) 3.507 6.690 ( -0.091 1.268 1.932) 2.313 6.750 ( 1.469 2.604 2.334) 3.792 6.884 ( 0.442 0.843 1.275) 1.591 6.937 ( -3.225 -0.718 2.289) 4.019 7.023 ( -1.800 3.020 -0.696) 3.584 7.136 ( -2.564 -0.115 -0.992) 2.752 7.169 ( 2.253 0.845 -2.686) 3.606 7.334 ( 2.766 -0.199 0.819) 2.891 7.416 ( 0.388 3.694 8.493) 9.270 7.645 ( 3.110 1.047 -9.686) 10.227 7.877 ( -0.154 -1.986 6.175) 6.489 8.014 ( 3.447 -2.478 -1.240) 4.423 8.076 ( -0.796 0.318 5.014) 5.086 8.301 ( 3.141 -0.932 -7.479) 8.165 8.470 ( -2.797 -1.319 -0.972) 3.242 8.567 ( 2.489 -0.836 0.478) 2.669 8.743 ( -3.613 -4.347 1.522) 5.854 8.775 ( -0.893 -2.414 0.994) 2.759 9.002 ( -2.285 0.873 -3.279) 4.091 9.129 ( 3.227 -1.444 -2.447) 4.299======================= Grid point 189 (99/116) =======================q-point: (-0.25 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( -5.409 6.418 11.239) 14.027 1.712 ( -3.608 5.032 7.547) 9.762 1.824 ( -0.874 -0.891 -5.669) 5.805 2.054 ( -2.260 1.467 -8.877) 9.277 2.108 ( 0.166 2.051 6.297) 6.625 2.162 ( 1.357 1.367 -5.832) 6.142 2.402 ( -5.860 -7.323 8.563) 12.700 2.522 ( 3.223 -4.083 3.248) 6.133 2.650 ( -4.333 0.079 -4.797) 6.464 2.778 ( 5.047 -4.940 1.227) 7.168 2.908 ( -1.729 -1.545 6.630) 7.024 2.960 ( -0.619 -3.307 0.906) 3.484 3.060 ( 0.168 -3.383 0.601) 3.441 3.195 ( -1.401 -3.360 2.747) 4.561 3.303 ( 5.589 -1.420 1.862) 6.060 3.351 ( -4.219 1.022 4.096) 5.969 3.489 ( -0.263 0.139 -3.372) 3.385 3.621 ( -0.222 1.299 -4.002) 4.214 3.693 ( -1.068 3.486 -0.356) 3.663 3.891 ( 1.766 5.673 3.102) 6.703 4.001 ( 0.786 1.033 -1.281) 1.823 4.092 ( 3.233 3.414 -0.714) 4.756 4.365 ( 5.819 3.900 -11.611) 13.560 4.484 ( -0.871 0.381 -0.598) 1.123 6.174 ( -0.754 3.486 -1.887) 4.034 6.308 ( -3.352 4.398 3.541) 6.566 6.447 ( 1.619 0.896 3.962) 4.373 6.575 ( 5.449 -1.274 -2.034) 5.954 6.677 ( -1.110 3.599 -0.023) 3.766 6.801 ( 0.404 -0.887 3.385) 3.522 6.865 ( -1.548 1.151 5.221) 5.566 6.905 ( 0.511 1.052 5.533) 5.656 7.022 ( 1.190 2.036 -1.022) 2.570 7.097 ( -1.419 1.338 -1.075) 2.227 7.197 ( 0.826 -0.072 -2.716) 2.840 7.331 ( -1.914 0.365 4.205) 4.635 7.456 ( 0.079 1.639 1.462) 2.198 7.686 ( 3.571 0.082 -11.508) 12.049 7.890 ( -0.383 -1.414 6.004) 6.180 8.072 ( 2.439 -1.204 -6.170) 6.743 8.096 ( 2.105 -0.159 6.626) 6.955 8.346 ( 3.479 -0.476 -5.690) 6.686 8.430 ( -1.257 -1.201 -0.438) 1.792 8.599 ( -0.065 -3.746 -1.821) 4.165 8.673 ( -2.907 -3.731 4.884) 6.799 8.767 ( -0.490 -1.716 3.238) 3.697 8.956 ( -1.349 2.773 -4.319) 5.307 9.165 ( 1.038 -0.984 -2.924) 3.255======================= Grid point 190 (100/116) =======================q-point: (-0.12 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( 0.959 7.509 14.405) 16.273 1.647 ( -5.184 4.732 14.172) 15.815 1.818 ( 0.959 0.031 -8.898) 8.949 1.995 ( -0.944 3.629 -10.934) 11.559 2.110 ( -2.193 1.407 6.980) 7.451 2.193 ( 3.840 1.505 -8.179) 9.160 2.350 ( -1.766 -5.692 9.495) 11.210 2.566 ( -2.676 2.161 -4.786) 5.894 2.616 ( 5.254 -3.787 2.154) 6.826 2.833 ( -0.377 -1.425 6.931) 7.086 2.865 ( -4.053 -2.945 3.678) 6.215 2.955 ( 0.238 -5.230 -1.772) 5.527 3.053 ( -0.818 -0.888 5.548) 5.678 3.161 ( -0.437 -2.891 1.990) 3.537 3.266 ( -4.309 2.292 2.398) 5.438 3.401 ( 1.574 1.793 -4.258) 4.881 3.477 ( 0.073 0.559 -2.313) 2.381 3.586 ( -2.075 1.962 -4.774) 5.563 3.742 ( 5.320 0.839 1.126) 5.502 3.869 ( -2.847 2.891 4.313) 5.921 4.071 ( 5.607 -1.532 -1.846) 6.099 4.161 ( 2.654 2.651 1.596) 4.077 4.420 ( -5.586 0.208 0.918) 5.665 4.448 ( 5.703 0.335 -13.317) 14.491 6.174 ( 1.281 3.612 -1.955) 4.302 6.238 ( -4.165 4.645 2.438) 6.698 6.510 ( 3.575 1.972 2.896) 5.005 6.647 ( -1.196 4.582 -1.382) 4.933 6.689 ( 4.122 -3.026 2.678) 5.773 6.784 ( 0.235 0.907 2.594) 2.758 6.893 ( 1.488 -1.755 0.274) 2.317 6.949 ( 1.447 0.487 5.615) 5.819 7.049 ( -0.015 3.125 -0.068) 3.126 7.086 ( 1.535 0.762 8.829) 8.994 7.186 ( -1.002 -0.666 -3.494) 3.695 7.304 ( -1.706 1.220 2.675) 3.399 7.411 ( -3.796 1.665 -2.278) 4.730 7.697 ( 0.579 -0.150 -14.320) 14.333 7.897 ( -0.483 -1.015 6.432) 6.530 8.084 ( 0.996 -2.065 -6.737) 7.116 8.172 ( 3.326 -1.281 5.149) 6.262 8.391 ( 0.386 -0.505 -2.396) 2.479 8.409 ( 0.624 -1.008 -1.254) 1.726 8.548 ( -2.805 -7.676 -2.168) 8.456 8.684 ( 0.971 -0.225 4.926) 5.026 8.771 ( 0.267 1.027 2.464) 2.683 8.941 ( 1.277 2.382 -1.858) 3.279 9.150 ( -1.726 -0.347 -3.605) 4.012======================= Grid point 191 (101/116) =======================q-point: ( 0.00 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( -0.129 8.042 6.787) 10.524 1.777 ( 1.663 8.416 8.198) 11.866 1.833 ( -1.267 4.695 0.190) 4.867 2.050 ( 0.219 4.081 -6.741) 7.883 2.112 ( -2.701 2.237 4.512) 5.715 2.259 ( 2.634 -1.265 -7.336) 7.896 2.329 ( 2.396 0.017 8.392) 8.727 2.533 ( -0.506 0.131 -7.553) 7.571 2.646 ( 5.291 -6.335 1.655) 8.418 2.690 ( -4.400 -4.799 -2.379) 6.932 2.732 ( -1.905 -6.407 4.244) 7.918 2.832 ( 1.059 -5.645 -4.459) 7.272 3.069 ( -0.621 -1.938 2.344) 3.104 3.113 ( 1.801 -4.116 -1.790) 4.837 3.329 ( -0.066 8.669 6.793) 11.013 3.451 ( 0.907 2.101 -3.773) 4.413 3.507 ( -0.117 1.885 1.041) 2.157 3.564 ( -2.653 1.862 -3.267) 4.602 3.845 ( -3.279 2.464 4.839) 6.344 3.929 ( 4.659 3.117 -1.475) 5.796 4.118 ( -3.702 -1.337 2.098) 4.461 4.148 ( 4.046 -2.781 0.009) 4.910 4.330 ( -5.742 2.329 4.365) 7.580 4.486 ( 3.140 -1.556 -8.011) 8.744 6.278 ( -3.404 5.897 1.400) 6.951 6.305 ( 3.238 4.636 -1.161) 5.773 6.633 ( 1.435 1.396 2.854) 3.486 6.658 ( 0.348 -0.473 4.543) 4.581 6.729 ( -2.180 4.156 0.013) 4.693 6.779 ( 1.197 -3.922 -1.311) 4.305 6.917 ( 4.261 -1.728 2.369) 5.172 6.947 ( -2.407 -0.837 2.205) 3.369 7.114 ( -0.906 3.535 -1.333) 3.885 7.123 ( 1.916 1.530 -1.425) 2.836 7.199 ( 0.251 1.472 7.606) 7.751 7.337 ( 0.348 0.996 -5.006) 5.116 7.421 ( -0.436 5.256 4.699) 7.063 7.624 ( -3.351 -0.074 -12.608) 13.046 7.883 ( -0.674 -1.370 5.656) 5.858 8.005 ( 0.049 -4.315 -4.798) 6.453 8.183 ( 1.506 -3.139 5.985) 6.924 8.305 ( -5.156 -5.504 5.633) 9.413 8.330 ( -1.045 -1.496 -6.809) 7.050 8.436 ( 3.023 -4.068 -5.399) 7.405 8.758 ( 2.874 2.496 3.226) 4.989 8.826 ( 1.586 1.219 -1.910) 2.766 9.011 ( 1.720 1.027 0.941) 2.213 9.081 ( -3.405 -0.298 -4.409) 5.579======================= Grid point 192 (102/116) =======================q-point: ( 0.12 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( -0.714 7.347 5.420) 9.158 1.801 ( -0.396 3.376 -5.348) 6.337 1.846 ( 1.606 9.680 11.970) 15.478 2.027 ( -0.563 5.227 -7.520) 9.176 2.086 ( -1.115 2.909 4.943) 5.843 2.284 ( 1.720 -0.709 -6.309) 6.577 2.378 ( 0.991 -1.039 6.046) 6.214 2.518 ( 0.362 -0.260 -7.460) 7.473 2.591 ( -3.466 -3.810 -4.607) 6.911 2.687 ( -1.532 -7.366 2.113) 7.814 2.763 ( 3.119 -8.334 4.763) 10.093 2.858 ( 2.404 -6.499 -4.241) 8.124 3.038 ( -2.491 -2.783 -0.457) 3.763 3.141 ( 0.511 -4.644 -1.059) 4.790 3.328 ( -0.628 3.782 3.653) 5.295 3.449 ( -2.839 -0.934 -1.292) 3.256 3.490 ( -0.284 3.429 -1.208) 3.646 3.557 ( 1.074 3.306 3.114) 4.667 3.764 ( -4.063 3.138 3.757) 6.362 3.999 ( 1.088 -0.220 -0.366) 1.169 4.058 ( 2.068 3.695 -3.680) 5.610 4.228 ( -5.781 5.456 7.337) 10.818 4.262 ( 4.397 -0.269 0.586) 4.444 4.522 ( 2.016 -2.094 -5.341) 6.081 6.225 ( -2.193 5.631 1.476) 6.221 6.364 ( 2.720 3.273 -0.477) 4.282 6.590 ( -4.220 1.793 1.462) 4.813 6.667 ( -1.557 3.364 -1.637) 4.052 6.716 ( 1.482 0.327 3.167) 3.511 6.807 ( 0.842 -2.093 -0.700) 2.362 6.918 ( 0.000 -0.225 -0.948) 0.974 6.972 ( -0.263 -2.331 0.027) 2.346 7.109 ( 2.556 4.403 -1.160) 5.222 7.149 ( -1.603 4.092 2.108) 4.874 7.227 ( 2.099 -0.643 4.587) 5.085 7.333 ( 0.129 -1.528 -5.084) 5.310 7.446 ( 0.102 4.072 6.125) 7.355 7.528 ( -1.828 2.317 -7.071) 7.662 7.863 ( -2.428 -1.724 5.242) 6.029 8.018 ( 1.456 -2.317 -2.833) 3.938 8.220 ( -4.816 -4.093 7.278) 9.639 8.241 ( 2.311 -6.769 4.987) 8.720 8.296 ( -0.168 0.012 -6.423) 6.425 8.465 ( 1.313 -3.959 -3.960) 5.752 8.810 ( 1.390 0.683 -0.411) 1.602 8.829 ( 0.655 1.439 -5.857) 6.067 8.985 ( -4.209 0.989 -2.762) 5.130 9.058 ( 1.407 -0.837 2.642) 3.108======================= Grid point 193 (103/116) =======================q-point: ( 0.25 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( 1.325 6.164 3.642) 7.281 1.787 ( 0.243 2.831 -3.125) 4.224 1.911 ( 2.138 7.368 7.285) 10.580 1.992 ( -1.322 4.389 -5.182) 6.918 2.091 ( 0.260 2.527 3.480) 4.309 2.284 ( -0.197 1.001 -4.895) 5.000 2.422 ( 1.548 -2.886 6.756) 7.508 2.478 ( -1.162 -0.336 -4.479) 4.639 2.557 ( -0.194 -5.776 -6.078) 8.387 2.658 ( -1.368 -6.361 -1.522) 6.683 2.808 ( 0.089 -12.016 3.087) 12.406 2.882 ( 0.274 -8.080 -2.524) 8.470 2.972 ( -3.431 -1.997 -2.315) 4.595 3.101 ( -4.938 -5.811 0.773) 7.665 3.305 ( -2.227 3.057 2.064) 4.309 3.429 ( 0.683 -1.451 0.409) 1.655 3.462 ( 0.342 0.410 -2.130) 2.196 3.587 ( 0.829 0.162 1.585) 1.796 3.752 ( 1.170 7.037 6.089) 9.379 4.021 ( 0.960 0.071 -0.880) 1.305 4.099 ( 0.483 7.354 -0.379) 7.379 4.185 ( 2.601 8.231 -0.110) 8.633 4.308 ( -0.371 3.820 3.702) 5.332 4.525 ( -0.578 -1.688 -3.107) 3.583 6.209 ( 0.219 4.828 1.962) 5.216 6.393 ( -0.222 -0.130 2.195) 2.210 6.522 ( -2.124 4.959 -2.036) 5.766 6.637 ( -0.820 3.674 -2.810) 4.697 6.741 ( -0.225 0.174 2.068) 2.088 6.816 ( 0.759 -0.378 0.141) 0.859 6.913 ( -0.847 0.106 -5.155) 5.225 6.958 ( -0.285 -0.719 3.385) 3.472 7.083 ( -2.780 5.551 1.195) 6.322 7.181 ( 1.703 2.522 1.288) 3.305 7.268 ( 0.054 -0.677 -1.409) 1.564 7.303 ( 0.190 -0.907 -7.190) 7.250 7.427 ( -2.198 1.436 7.752) 8.185 7.562 ( 4.090 1.386 0.075) 4.319 7.841 ( -1.261 -0.894 6.489) 6.671 8.011 ( -1.967 -0.231 -1.282) 2.359 8.152 ( -4.220 -3.290 7.399) 9.131 8.247 ( -0.526 -2.025 -5.240) 5.642 8.342 ( 4.014 -4.043 1.729) 5.954 8.475 ( 0.745 -3.945 -1.760) 4.384 8.788 ( -1.079 -1.179 -7.390) 7.560 8.838 ( 0.206 -1.633 -4.624) 4.908 8.928 ( -0.777 2.762 0.856) 2.994 9.076 ( -0.275 -2.044 1.985) 2.862======================= Grid point 194 (104/116) =======================q-point: ( 0.38 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.779 ( 5.288 4.532 -0.308) 6.971 1.797 ( 2.563 -0.635 1.546) 3.060 1.931 ( -1.647 5.826 -3.176) 6.837 1.974 ( 0.629 0.618 4.367) 4.455 2.105 ( 0.177 1.597 2.896) 3.312 2.260 ( -0.783 1.845 -3.483) 4.018 2.413 ( -1.834 -0.145 -0.850) 2.027 2.474 ( -7.386 -4.400 2.177) 8.868 2.524 ( 2.421 -3.598 6.433) 7.758 2.657 ( 4.156 -8.934 -11.763) 15.344 2.776 ( -4.204 -11.973 0.158) 12.690 2.824 ( -4.940 -9.156 -0.034) 10.404 2.948 ( 1.155 -2.872 -2.815) 4.184 2.988 ( -5.018 -3.846 1.436) 6.484 3.318 ( 3.414 2.632 -0.223) 4.317 3.412 ( -2.356 -0.038 2.036) 3.114 3.518 ( 4.043 -0.466 -1.651) 4.392 3.600 ( 0.200 -1.694 -0.131) 1.710 3.819 ( 4.031 8.401 4.021) 10.149 3.978 ( -3.905 4.486 1.147) 6.057 4.150 ( 3.373 7.768 1.579) 8.614 4.256 ( 0.680 7.501 -3.218) 8.190 4.291 ( 1.260 5.330 4.277) 6.949 4.487 ( -2.394 -0.391 -2.616) 3.567 6.245 ( 2.725 4.336 2.559) 5.725 6.372 ( -2.300 0.868 4.133) 4.809 6.503 ( 0.385 3.987 -3.410) 5.260 6.607 ( -1.864 2.907 -3.405) 4.850 6.725 ( -1.597 0.510 1.757) 2.429 6.815 ( -0.570 0.641 -5.590) 5.656 6.885 ( -1.308 0.551 4.597) 4.811 6.958 ( -0.664 -0.102 1.285) 1.450 7.086 ( 2.882 2.991 1.725) 4.498 7.180 ( -0.630 2.274 -1.764) 2.946 7.231 ( -1.355 2.085 -5.795) 6.306 7.293 ( -2.458 -0.295 1.045) 2.687 7.442 ( 1.722 1.566 8.172) 8.497 7.643 ( 4.096 0.606 -2.550) 4.863 7.833 ( -1.492 -1.021 4.984) 5.302 7.942 ( -4.344 -0.701 -0.063) 4.401 8.099 ( -3.001 -2.085 7.624) 8.455 8.232 ( 0.736 -1.174 -6.413) 6.561 8.420 ( 3.554 -3.621 0.951) 5.162 8.481 ( 0.067 -3.484 -0.793) 3.574 8.759 ( -0.267 -1.760 -4.047) 4.422 8.809 ( -1.600 -1.499 -4.524) 5.027 8.950 ( 2.369 0.002 0.372) 2.398 9.061 ( -1.338 -2.635 -0.321) 2.973======================= Grid point 195 (105/116) =======================q-point: (-0.50 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( -1.635 4.878 2.641) 5.783 1.845 ( -1.113 2.590 -0.960) 2.979 1.913 ( -2.849 -1.717 4.602) 5.679 2.017 ( 4.168 -4.531 -4.229) 7.469 2.132 ( 3.172 3.258 4.768) 6.588 2.231 ( -1.702 2.320 -3.991) 4.920 2.363 ( -1.859 -2.837 1.564) 3.735 2.392 ( 0.930 -0.885 -0.185) 1.297 2.526 ( -6.978 -7.482 7.997) 12.985 2.683 ( 0.139 -7.959 0.059) 7.961 2.735 ( 2.004 -8.292 -4.946) 9.861 2.766 ( 1.383 -8.718 -3.184) 9.384 2.920 ( -2.189 -1.929 1.712) 3.383 2.993 ( 3.659 -5.000 -5.187) 8.081 3.353 ( -4.093 2.181 2.877) 5.457 3.396 ( 3.549 0.797 -1.302) 3.863 3.559 ( -0.681 -0.112 0.926) 1.155 3.608 ( 1.832 -1.222 -3.198) 3.883 3.911 ( -2.704 6.387 0.770) 6.978 3.918 ( 4.956 6.257 -0.050) 7.982 4.152 ( -5.280 10.576 7.154) 13.817 4.232 ( 0.152 7.129 0.539) 7.151 4.379 ( 4.344 1.699 -0.250) 4.671 4.438 ( -0.569 2.279 -5.145) 5.656 6.317 ( 3.283 4.419 2.637) 6.104 6.340 ( -1.456 4.020 1.755) 4.621 6.497 ( -0.907 2.117 0.540) 2.366 6.549 ( -2.801 0.340 -2.796) 3.972 6.701 ( -1.007 0.798 2.639) 2.935 6.788 ( -0.339 -0.239 -4.493) 4.513 6.885 ( -0.147 1.674 4.836) 5.120 6.946 ( -0.636 -0.338 0.498) 0.876 7.140 ( -0.674 2.187 2.259) 3.216 7.176 ( -1.312 0.403 2.305) 2.682 7.194 ( -0.210 2.966 -4.500) 5.393 7.262 ( 2.728 1.337 -2.587) 3.991 7.499 ( 0.780 4.794 7.789) 9.179 7.674 ( 0.588 2.889 -6.810) 7.420 7.837 ( 0.005 -2.768 4.304) 5.118 7.875 ( -0.540 -4.224 0.907) 4.354 8.081 ( -1.163 -0.373 7.435) 7.535 8.242 ( 2.082 -1.413 -6.854) 7.302 8.461 ( -0.612 -4.362 -0.094) 4.406 8.489 ( 2.151 -1.932 -1.763) 3.386 8.733 ( -2.693 -1.430 0.756) 3.142 8.766 ( -1.454 -1.708 -2.311) 3.220 9.003 ( 1.960 -1.975 -0.594) 2.846 9.041 ( 0.980 -2.148 -3.599) 4.304======================= Grid point 196 (106/116) =======================q-point: (-0.38 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( -7.000 7.226 5.545) 11.488 1.841 ( -2.553 -0.569 1.739) 3.141 1.853 ( 0.141 4.278 -0.179) 4.284 2.051 ( 0.719 -3.546 -0.361) 3.636 2.179 ( -0.368 3.406 -2.424) 4.196 2.203 ( 0.073 2.138 -1.144) 2.426 2.361 ( -9.011 -7.890 12.308) 17.174 2.383 ( 2.086 -2.932 1.717) 3.987 2.521 ( 9.245 -5.059 -1.406) 10.632 2.683 ( -1.683 -4.858 -6.268) 8.106 2.766 ( 5.100 -8.785 1.609) 10.285 2.834 ( 2.969 -9.375 -1.644) 9.970 2.895 ( -0.480 0.085 1.407) 1.489 3.065 ( 4.841 -6.278 -4.988) 9.366 3.290 ( -2.361 4.442 2.575) 5.651 3.427 ( -0.093 0.750 -0.006) 0.756 3.522 ( -2.410 -0.233 -1.393) 2.793 3.626 ( 0.538 -1.661 -2.579) 3.115 3.867 ( -2.022 6.035 -0.443) 6.380 3.997 ( 1.836 1.625 0.005) 2.452 4.067 ( -3.909 12.565 6.744) 14.786 4.212 ( -2.146 6.463 1.079) 6.895 4.415 ( 1.754 3.765 -4.355) 6.018 4.473 ( 2.813 0.603 -2.266) 3.663 6.293 ( -2.286 4.530 -1.622) 5.327 6.405 ( 3.954 4.611 2.225) 6.469 6.460 ( -3.135 1.481 0.992) 3.607 6.515 ( -0.165 0.581 3.370) 3.424 6.710 ( 1.057 0.154 3.295) 3.464 6.778 ( -0.079 -0.727 -1.640) 1.796 6.901 ( 0.435 1.216 4.594) 4.772 6.930 ( -1.799 0.005 1.678) 2.461 7.084 ( -2.834 3.049 1.365) 4.381 7.145 ( -1.175 0.352 -2.608) 2.883 7.212 ( 1.756 3.774 -1.221) 4.337 7.339 ( 3.207 0.445 -3.057) 4.453 7.497 ( -1.822 4.415 6.403) 7.988 7.674 ( 1.115 1.413 -7.416) 7.631 7.832 ( 0.857 -2.127 4.078) 4.678 7.952 ( 5.041 -3.713 1.808) 6.517 8.086 ( -0.160 1.007 4.683) 4.792 8.273 ( 2.963 -1.933 -7.019) 7.860 8.431 ( -1.917 -2.589 -0.926) 3.352 8.515 ( 0.585 -4.414 -2.970) 5.352 8.669 ( -3.772 -1.636 3.085) 5.140 8.738 ( -1.359 -1.847 1.556) 2.771 9.005 ( 0.243 -0.197 -3.623) 3.637 9.092 ( 3.520 -2.269 -3.179) 5.258======================= Grid point 197 (107/116) =======================q-point: (-0.25 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.623 ( -2.908 9.532 8.480) 13.085 1.799 ( -2.394 1.940 2.375) 3.890 1.865 ( 0.423 6.514 0.247) 6.533 2.054 ( 0.056 -1.257 -1.546) 1.993 2.169 ( 0.074 2.035 -2.260) 3.042 2.201 ( 0.205 2.491 -0.849) 2.640 2.257 ( -4.171 -5.108 11.086) 12.899 2.438 ( 3.222 -4.764 1.980) 6.083 2.630 ( -0.567 -1.907 -7.365) 7.629 2.663 ( 3.838 -5.589 -0.495) 6.799 2.809 ( -1.421 -8.659 2.538) 9.134 2.883 ( 1.064 -6.707 -2.466) 7.225 2.943 ( 5.256 -2.567 0.539) 5.874 3.125 ( 1.281 -4.510 -1.365) 4.883 3.296 ( 2.164 2.289 2.563) 4.061 3.412 ( -1.589 2.200 2.407) 3.627 3.486 ( 1.028 0.203 -4.173) 4.303 3.631 ( 0.888 -0.864 -2.552) 2.837 3.812 ( -3.439 7.265 0.617) 8.061 3.976 ( -3.312 2.100 5.292) 6.587 4.040 ( -0.877 4.691 -0.081) 4.773 4.200 ( 0.869 6.053 0.266) 6.121 4.440 ( 2.049 2.927 -6.645) 7.545 4.486 ( -1.363 -0.472 0.039) 1.443 6.254 ( -0.815 4.058 -2.240) 4.706 6.399 ( -3.176 3.325 1.467) 4.827 6.487 ( 3.886 3.424 1.599) 5.420 6.549 ( 2.109 -0.008 5.385) 5.783 6.748 ( 1.036 2.125 4.600) 5.172 6.770 ( -0.231 -2.464 0.582) 2.542 6.879 ( -2.460 0.394 -1.379) 2.848 6.934 ( 0.689 1.602 9.182) 9.346 7.071 ( 0.663 2.749 0.690) 2.911 7.123 ( -0.358 0.639 -2.391) 2.500 7.224 ( -0.660 3.383 -1.248) 3.666 7.352 ( 0.049 1.637 -2.719) 3.175 7.485 ( -1.359 1.241 2.826) 3.372 7.679 ( 1.919 -1.281 -8.847) 9.142 7.870 ( 0.751 0.038 4.174) 4.242 8.035 ( 2.582 -2.542 -2.001) 4.139 8.102 ( 1.109 1.036 4.146) 4.415 8.319 ( 3.665 -2.654 -6.377) 7.820 8.396 ( -1.091 -1.984 -1.944) 2.984 8.474 ( -4.044 -6.550 -1.721) 7.887 8.644 ( 0.685 -0.087 4.329) 4.384 8.732 ( 0.257 -1.947 3.961) 4.421 9.001 ( 0.315 1.999 -4.543) 4.974 9.136 ( 1.759 -1.894 -3.446) 4.308======================= Grid point 198 (108/116) =======================q-point: (-0.12 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.639 ( 1.314 10.154 9.099) 13.697 1.762 ( -2.380 6.065 7.632) 10.035 1.857 ( -0.970 4.532 -1.157) 4.777 2.055 ( 0.675 2.010 -4.118) 4.632 2.151 ( -2.048 1.019 2.457) 3.357 2.222 ( 3.217 0.634 -8.179) 8.812 2.262 ( 0.905 -1.426 11.299) 11.424 2.520 ( 4.237 -5.378 2.535) 7.300 2.591 ( -0.544 0.263 -7.741) 7.764 2.716 ( 1.449 -6.171 -0.470) 6.356 2.776 ( -2.399 -7.452 1.688) 8.009 2.859 ( -2.163 -4.831 -3.282) 6.227 3.029 ( 3.421 -2.367 1.228) 4.338 3.114 ( -1.203 -1.881 1.314) 2.591 3.315 ( -1.075 3.112 4.432) 5.521 3.431 ( 2.875 0.492 0.014) 2.917 3.514 ( 0.359 3.438 -4.026) 5.306 3.626 ( -1.440 1.444 -3.101) 3.711 3.795 ( 2.986 4.672 1.800) 5.829 3.925 ( -2.861 2.475 4.920) 6.206 4.050 ( 2.511 -0.170 -0.773) 2.633 4.205 ( -1.702 1.197 1.436) 2.528 4.423 ( -4.352 0.120 0.703) 4.410 4.459 ( 1.630 0.439 -7.171) 7.367 6.258 ( 1.745 4.351 -1.621) 4.960 6.341 ( -3.371 5.093 1.517) 6.293 6.565 ( 3.683 3.522 2.292) 5.588 6.614 ( 2.784 -3.375 4.946) 6.603 6.748 ( -0.666 1.575 2.693) 3.190 6.793 ( -0.383 2.645 1.122) 2.898 6.848 ( 1.032 -3.063 -0.048) 3.232 6.966 ( -0.270 0.535 6.803) 6.829 7.097 ( 1.232 1.464 0.398) 1.954 7.117 ( 0.099 1.679 2.400) 2.931 7.195 ( -1.268 2.717 -0.360) 3.020 7.346 ( 0.253 2.671 -4.782) 5.483 7.449 ( -2.614 2.161 1.415) 3.675 7.685 ( 0.610 -1.540 -11.216) 11.338 7.876 ( -0.606 -0.609 4.267) 4.353 8.034 ( -0.971 -2.952 -4.156) 5.190 8.145 ( 1.303 -0.971 5.082) 5.335 8.362 ( 0.153 -3.289 -4.640) 5.690 8.386 ( -3.820 -4.292 2.130) 6.128 8.386 ( 2.077 -3.963 -6.106) 7.570 8.694 ( 2.585 1.101 4.492) 5.298 8.774 ( 2.798 -0.515 3.652) 4.629 8.995 ( 0.407 2.836 -3.539) 4.554 9.135 ( -0.900 -1.213 -3.971) 4.248======================= Grid point 199 (109/116) =======================q-point: ( 0.00 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 0.026 5.771 1.419) 5.943 1.865 ( 0.590 1.558 -2.640) 3.121 2.005 ( 0.627 9.250 6.467) 11.304 2.095 ( 0.839 0.039 -0.738) 1.118 2.125 ( -0.410 0.111 3.426) 3.453 2.199 ( 1.527 -5.657 -2.467) 6.358 2.369 ( 1.126 4.807 9.257) 10.491 2.491 ( 2.585 -5.889 4.412) 7.800 2.573 ( -0.729 0.376 -5.836) 5.893 2.610 ( -2.247 -3.836 -4.016) 5.991 2.642 ( -0.318 0.588 -3.660) 3.720 2.723 ( 0.717 -5.639 -6.958) 8.984 3.034 ( -0.165 -0.826 0.008) 0.842 3.048 ( 0.181 -2.182 -1.291) 2.542 3.458 ( -0.177 2.922 0.064) 2.928 3.475 ( 1.573 0.435 -1.446) 2.181 3.555 ( -1.445 3.124 1.690) 3.834 3.590 ( -1.625 0.053 -1.595) 2.277 3.911 ( -4.069 4.222 5.991) 8.382 3.971 ( 1.371 -0.069 1.759) 2.232 4.079 ( -1.843 -1.264 0.540) 2.299 4.099 ( 5.670 -2.213 0.016) 6.087 4.386 ( -3.020 3.090 3.025) 5.274 4.444 ( 0.420 -2.638 -1.884) 3.269 6.371 ( -0.611 3.060 0.745) 3.208 6.383 ( 0.394 2.314 -0.448) 2.389 6.621 ( 0.835 0.063 6.247) 6.303 6.659 ( 0.508 -2.318 5.429) 5.924 6.733 ( 1.548 1.567 -3.667) 4.278 6.777 ( -0.563 -0.830 -4.840) 4.943 6.895 ( 1.237 0.511 5.947) 6.096 6.923 ( -2.149 -1.590 4.151) 4.937 7.145 ( 1.610 1.033 0.676) 2.028 7.155 ( 2.033 0.218 0.609) 2.133 7.272 ( -1.187 4.590 0.736) 4.797 7.334 ( -1.501 -1.458 -3.797) 4.335 7.533 ( 1.010 5.389 -0.730) 5.532 7.609 ( -1.077 -1.935 -6.906) 7.252 7.864 ( -0.938 0.268 2.891) 3.051 7.914 ( -1.123 -4.308 -1.469) 4.688 8.152 ( -1.134 0.381 6.137) 6.253 8.200 ( -3.304 -4.262 5.900) 7.993 8.325 ( 0.316 0.778 -8.194) 8.237 8.363 ( 1.905 -3.006 -7.457) 8.262 8.806 ( 2.998 2.126 2.891) 4.676 8.834 ( 2.495 -0.548 1.115) 2.787 9.036 ( -0.480 1.499 -2.237) 2.735 9.065 ( -2.150 -1.231 -4.057) 4.754======================= Grid point 200 (110/116) =======================q-point: ( 0.12 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.820 ( -0.511 5.501 0.906) 5.598 1.862 ( -0.023 1.483 -3.007) 3.353 2.033 ( 0.080 7.892 4.228) 8.954 2.095 ( -0.401 0.801 -2.308) 2.475 2.131 ( 0.117 2.449 3.300) 4.111 2.231 ( 2.251 -5.673 -3.766) 7.172 2.383 ( -1.437 3.986 6.751) 7.971 2.510 ( -3.417 -5.537 -1.840) 6.762 2.527 ( 0.979 0.276 -4.768) 4.875 2.584 ( 0.082 -6.944 0.953) 7.010 2.628 ( -0.921 2.725 -2.904) 4.087 2.734 ( 1.157 -6.353 -5.178) 8.277 3.012 ( -1.675 0.304 -0.553) 1.790 3.051 ( -0.517 -3.650 -0.269) 3.696 3.382 ( -3.277 2.024 -0.519) 3.887 3.418 ( -3.861 -1.753 -1.400) 4.465 3.554 ( -2.764 2.679 1.391) 4.093 3.590 ( -1.164 -0.478 1.620) 2.051 3.860 ( -0.757 5.924 5.184) 7.909 3.959 ( 0.120 -3.658 2.083) 4.211 4.151 ( 6.155 4.919 -2.467) 8.256 4.231 ( 6.560 -2.848 -0.571) 7.175 4.346 ( -1.894 6.094 5.074) 8.153 4.455 ( 0.704 -4.618 0.039) 4.672 6.330 ( -2.370 4.497 0.539) 5.111 6.388 ( -0.834 -1.039 0.457) 1.408 6.642 ( -0.117 3.082 3.021) 4.318 6.690 ( 0.554 -1.502 2.543) 3.005 6.729 ( 0.138 1.984 -2.902) 3.518 6.771 ( 1.233 -2.018 -3.016) 3.832 6.909 ( -0.028 -0.175 1.662) 1.672 6.926 ( -0.066 -1.849 3.516) 3.973 7.178 ( 2.543 2.878 0.106) 3.842 7.217 ( 3.438 -0.721 0.255) 3.522 7.243 ( -2.261 3.673 1.666) 4.624 7.297 ( -1.398 -2.036 -2.532) 3.537 7.524 ( -2.343 3.664 -1.592) 4.631 7.564 ( -1.166 0.333 -3.765) 3.956 7.858 ( -0.075 2.079 3.748) 4.286 7.943 ( 3.225 -5.228 1.109) 6.242 8.139 ( -2.635 -1.823 7.259) 7.935 8.155 ( -1.912 -2.788 6.552) 7.373 8.317 ( 0.986 2.196 -6.971) 7.375 8.381 ( 1.652 -4.102 -5.926) 7.394 8.829 ( -0.964 1.189 -2.776) 3.170 8.845 ( -0.631 -0.140 -3.703) 3.759 9.008 ( -1.956 1.374 -1.023) 2.600 9.036 ( -0.060 -1.351 0.806) 1.574======================= Grid point 201 (111/116) =======================q-point: ( 0.25 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.807 ( -1.005 5.039 1.411) 5.329 1.853 ( 0.026 1.551 -2.318) 2.789 2.020 ( -1.735 4.566 1.049) 4.996 2.069 ( -1.686 1.057 -3.342) 3.890 2.139 ( -0.312 3.584 3.718) 5.173 2.250 ( 0.054 -5.951 -0.802) 6.005 2.394 ( 1.863 2.410 1.803) 3.540 2.451 ( -0.247 -2.095 -6.022) 6.380 2.536 ( -0.567 0.521 -3.153) 3.245 2.563 ( -3.148 -2.510 -1.135) 4.183 2.599 ( -0.735 -4.198 2.472) 4.927 2.709 ( -2.837 -8.857 -3.851) 10.066 2.969 ( -2.345 1.075 -0.671) 2.666 3.010 ( -3.478 -3.206 0.470) 4.754 3.354 ( -0.283 1.998 0.268) 2.036 3.392 ( 0.875 -1.963 -0.160) 2.155 3.493 ( -1.549 2.545 0.293) 2.994 3.551 ( -1.555 -2.904 1.090) 3.469 3.898 ( 2.440 6.493 3.477) 7.759 3.992 ( 1.813 -2.980 0.541) 3.529 4.246 ( 3.469 6.558 -0.130) 7.420 4.324 ( 3.554 0.918 -1.666) 4.031 4.350 ( 0.582 4.677 5.920) 7.567 4.463 ( -0.162 -4.681 0.651) 4.729 6.302 ( -0.418 4.210 1.204) 4.399 6.368 ( -0.949 -2.332 1.486) 2.923 6.622 ( -1.847 4.475 -0.995) 4.943 6.686 ( -1.522 -1.097 0.223) 1.889 6.739 ( 1.450 2.814 -2.569) 4.077 6.812 ( 2.863 -2.089 1.681) 3.922 6.891 ( -2.063 0.252 -3.404) 3.988 6.930 ( 0.158 -2.375 1.807) 2.988 7.191 ( -3.499 4.168 4.124) 6.828 7.224 ( -0.692 1.064 1.659) 2.089 7.268 ( 2.398 0.442 -1.108) 2.678 7.287 ( 2.583 -1.009 -7.449) 7.949 7.471 ( -2.315 3.192 3.059) 4.990 7.540 ( -0.375 -3.146 0.847) 3.280 7.886 ( 0.955 5.153 5.180) 7.369 7.988 ( -0.031 -3.374 0.482) 3.409 8.101 ( -2.860 -0.365 8.035) 8.536 8.156 ( 0.082 -5.223 3.174) 6.113 8.330 ( 2.195 2.126 -4.324) 5.295 8.395 ( 1.446 -3.998 -4.258) 6.017 8.782 ( -1.839 0.582 -6.339) 6.626 8.805 ( -1.473 -1.573 -5.552) 5.956 8.981 ( -1.130 2.631 0.929) 3.010 9.032 ( -0.981 -2.445 1.434) 2.999======================= Grid point 202 (112/116) =======================q-point: ( 0.38 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( 0.264 2.395 1.816) 3.017 1.852 ( -0.139 -0.480 0.027) 0.501 1.988 ( -1.008 2.528 -2.216) 3.509 2.018 ( -2.641 1.399 -2.146) 3.680 2.147 ( 0.368 3.290 4.710) 5.757 2.243 ( -0.297 -4.953 2.927) 5.761 2.422 ( -4.326 1.929 -2.938) 5.574 2.429 ( -0.265 0.966 -3.837) 3.966 2.501 ( 1.781 -0.102 -3.009) 3.498 2.521 ( -0.279 -1.590 -1.232) 2.031 2.587 ( -2.734 -6.702 0.214) 7.242 2.617 ( -3.636 -9.836 -1.052) 10.539 2.934 ( -0.773 0.375 -0.857) 1.213 2.948 ( -2.343 -0.998 0.096) 2.549 3.367 ( 1.655 2.238 0.563) 2.840 3.403 ( -0.222 -1.176 1.474) 1.899 3.520 ( 3.242 1.078 -1.378) 3.684 3.557 ( 1.428 -2.320 -0.542) 2.777 3.954 ( 2.507 4.869 1.341) 5.638 4.010 ( -0.114 -0.829 0.101) 0.843 4.294 ( 1.520 6.202 3.779) 7.420 4.358 ( -0.940 0.578 4.433) 4.569 4.384 ( 2.213 4.803 -1.142) 5.411 4.456 ( -0.254 -2.679 -1.059) 2.892 6.327 ( 2.421 3.512 2.441) 4.915 6.373 ( 0.934 -1.058 3.101) 3.407 6.578 ( -2.228 3.541 -2.498) 4.873 6.634 ( -3.638 -1.311 -1.600) 4.185 6.746 ( -0.786 3.075 -0.936) 3.309 6.817 ( -3.241 -2.493 -3.221) 5.205 6.879 ( 2.197 1.728 1.970) 3.419 6.937 ( 0.617 -2.707 -1.093) 2.983 7.155 ( -0.735 3.337 4.099) 5.337 7.195 ( -1.710 -0.660 3.172) 3.663 7.280 ( -0.221 2.526 -5.625) 6.170 7.305 ( -0.257 0.226 -5.113) 5.124 7.490 ( 3.281 3.564 7.886) 9.255 7.582 ( 4.023 -5.188 4.276) 7.835 7.879 ( -3.396 3.977 0.922) 5.310 7.931 ( -4.988 -1.089 -1.521) 5.328 8.083 ( -0.954 1.560 7.988) 8.195 8.168 ( 0.536 -5.381 1.428) 5.593 8.375 ( 2.829 0.404 -2.779) 3.986 8.418 ( 1.836 -3.132 -3.775) 5.238 8.746 ( -0.383 0.484 -4.195) 4.240 8.772 ( -0.807 -1.920 -4.034) 4.540 8.966 ( -0.334 1.580 -0.041) 1.615 9.008 ( -1.332 -2.567 -0.381) 2.917======================= Grid point 203 (113/116) =======================q-point: (-0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( 1.106 -1.001 1.639) 2.217 1.846 ( 1.005 -1.519 0.196) 1.832 1.944 ( -5.070 3.012 1.724) 6.144 1.974 ( -0.673 0.124 -0.868) 1.105 2.197 ( 3.374 3.402 4.756) 6.751 2.262 ( 0.427 -1.745 2.887) 3.400 2.324 ( -2.734 2.072 -2.092) 4.018 2.390 ( -1.032 -0.794 -4.356) 4.547 2.429 ( -7.832 -1.131 4.940) 9.329 2.537 ( 1.749 -9.596 -4.686) 10.821 2.590 ( 2.716 -2.522 -0.467) 3.736 2.612 ( 2.356 -4.128 -2.849) 5.541 2.920 ( -0.240 0.961 -0.326) 1.043 2.943 ( 1.649 -1.359 -2.473) 3.268 3.393 ( -0.978 1.563 1.129) 2.162 3.407 ( 1.687 0.111 -0.311) 1.719 3.559 ( 0.148 0.381 -0.776) 0.877 3.578 ( 1.149 -1.455 -2.360) 3.002 3.992 ( -1.288 2.062 0.469) 2.476 3.996 ( 1.164 1.715 0.104) 2.075 4.318 ( -0.965 5.093 4.927) 7.152 4.339 ( -1.760 2.995 4.385) 5.595 4.414 ( 1.693 2.167 -0.690) 2.835 4.457 ( 1.014 -0.883 -3.332) 3.593 6.397 ( 3.046 2.959 2.939) 5.164 6.408 ( 1.189 2.097 2.920) 3.787 6.529 ( -1.272 1.085 -1.658) 2.354 6.548 ( -3.991 -0.603 -2.276) 4.634 6.713 ( -2.180 1.104 2.058) 3.195 6.755 ( -2.235 -2.581 -0.770) 3.500 6.916 ( 1.036 1.590 0.747) 2.039 6.944 ( 0.135 -0.671 -0.676) 0.962 7.165 ( -0.712 0.727 3.218) 3.375 7.174 ( -2.142 -0.197 4.716) 5.184 7.262 ( 0.853 3.064 -4.422) 5.448 7.291 ( 1.683 0.469 -4.312) 4.652 7.599 ( 4.123 5.006 7.073) 9.596 7.687 ( 3.865 -3.050 1.990) 5.310 7.791 ( -2.669 0.453 -0.714) 2.800 7.823 ( -4.684 -1.938 -1.780) 5.372 8.102 ( 0.566 2.992 6.651) 7.315 8.187 ( 1.232 -4.419 0.324) 4.599 8.403 ( 0.826 -0.380 -3.537) 3.652 8.437 ( 1.135 -2.894 -4.745) 5.672 8.724 ( -2.207 0.360 0.216) 2.247 8.739 ( -1.828 -1.056 -1.106) 2.383 8.979 ( 1.698 -0.195 -1.718) 2.423 8.997 ( 1.439 -1.869 -3.145) 3.931======================= Grid point 204 (114/116) =======================q-point: (-0.38 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.835 ( -0.261 2.401 -0.378) 2.445 1.848 ( -3.828 4.375 2.548) 6.347 1.914 ( 3.858 -0.323 1.916) 4.319 1.961 ( -0.186 -3.893 3.666) 5.350 2.229 ( -1.130 1.316 -1.811) 2.508 2.239 ( -2.717 0.763 3.319) 4.356 2.298 ( -4.050 1.128 6.245) 7.528 2.330 ( -1.058 -1.788 3.797) 4.329 2.448 ( 7.301 -0.032 -2.647) 7.766 2.573 ( 3.338 -9.412 -2.921) 10.405 2.639 ( 3.482 -2.427 -3.859) 5.736 2.657 ( 2.117 -4.107 -2.992) 5.505 2.929 ( 1.216 2.460 -0.567) 2.802 2.983 ( 3.015 -3.015 -2.765) 5.082 3.373 ( -0.998 3.699 0.268) 3.841 3.426 ( 0.224 -1.349 -0.549) 1.473 3.530 ( -1.999 1.531 -2.185) 3.334 3.578 ( -0.263 -2.877 -2.486) 3.811 3.961 ( -1.746 3.402 0.660) 3.880 4.003 ( -0.758 -0.910 0.982) 1.539 4.275 ( -4.461 7.426 4.576) 9.797 4.317 ( -1.823 3.016 3.336) 4.852 4.452 ( 1.997 0.464 -0.757) 2.185 4.469 ( 0.919 -1.118 -3.324) 3.625 6.371 ( -2.986 3.290 -1.626) 4.731 6.424 ( -1.950 -1.864 -1.333) 3.009 6.532 ( 2.892 4.586 2.360) 5.913 6.560 ( 2.761 2.549 4.865) 6.147 6.689 ( -0.729 -1.321 2.871) 3.243 6.724 ( -1.569 -3.857 3.320) 5.325 6.925 ( -0.126 1.175 0.192) 1.197 6.938 ( -0.441 0.165 0.731) 0.870 7.132 ( -2.199 1.464 3.346) 4.263 7.145 ( -1.563 -0.172 1.099) 1.919 7.293 ( 2.364 3.598 -2.746) 5.106 7.338 ( 3.181 -0.924 -4.079) 5.255 7.590 ( -4.303 4.784 0.442) 6.450 7.669 ( -3.072 -2.498 -4.511) 6.002 7.820 ( 4.686 1.429 4.250) 6.485 7.876 ( 6.065 -3.673 4.404) 8.347 8.130 ( 0.752 3.586 3.540) 5.095 8.214 ( 1.581 -4.170 -1.425) 4.682 8.393 ( -0.671 -0.243 -4.150) 4.211 8.429 ( -0.636 -3.526 -5.844) 6.855 8.668 ( -2.903 1.074 2.177) 3.785 8.700 ( -2.129 -1.922 1.990) 3.491 9.011 ( 2.405 1.011 -3.521) 4.382 9.045 ( 3.444 -2.266 -3.442) 5.370======================= Grid point 205 (115/116) =======================q-point: (-0.25 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( -1.150 6.710 4.240) 8.020 1.843 ( 0.217 2.037 -0.288) 2.068 1.981 ( 2.230 2.871 2.112) 4.204 2.004 ( 2.793 -2.669 3.183) 5.005 2.164 ( -4.409 0.957 6.402) 7.832 2.208 ( -0.910 -0.989 -1.373) 1.921 2.275 ( -0.424 2.184 5.914) 6.319 2.338 ( 1.381 -4.673 3.598) 6.058 2.577 ( 5.501 -0.540 -2.802) 6.197 2.609 ( 1.138 -1.307 -5.377) 5.649 2.671 ( 0.384 -3.424 -3.263) 4.745 2.717 ( 4.519 -7.457 -4.248) 9.699 2.964 ( 2.470 2.864 -0.147) 3.785 3.036 ( 2.734 -4.210 -1.929) 5.378 3.353 ( -0.844 3.015 0.038) 3.131 3.406 ( -1.620 -2.085 -0.838) 2.770 3.525 ( 3.125 3.208 -2.537) 5.147 3.590 ( 2.561 -3.013 -2.385) 4.618 3.928 ( -2.057 4.019 0.840) 4.592 3.978 ( -2.152 -1.261 2.365) 3.437 4.182 ( -6.022 7.693 4.299) 10.674 4.273 ( -3.843 -0.120 2.959) 4.852 4.464 ( -0.376 -0.006 -3.618) 3.637 4.474 ( -0.068 -0.450 -0.214) 0.503 6.326 ( -0.797 3.403 -1.166) 3.684 6.391 ( -0.566 -2.853 -0.874) 3.037 6.595 ( 1.325 6.707 5.154) 8.562 6.606 ( 0.971 4.732 3.188) 5.788 6.701 ( -0.127 -4.378 1.642) 4.677 6.717 ( 1.063 -4.749 6.235) 7.909 6.909 ( -1.049 2.343 -1.308) 2.882 6.945 ( 0.153 -0.798 4.343) 4.418 7.115 ( -0.606 1.370 2.983) 3.338 7.127 ( -0.583 -0.039 1.443) 1.557 7.311 ( -0.018 4.494 -3.115) 5.468 7.370 ( 1.489 -0.879 -5.521) 5.786 7.526 ( -1.867 3.726 0.197) 4.172 7.619 ( -0.211 -4.600 -5.288) 7.012 7.904 ( 1.506 3.097 3.732) 5.079 7.974 ( 2.226 -3.543 2.346) 4.797 8.146 ( 0.337 3.528 1.076) 3.704 8.235 ( 0.932 -5.114 -2.205) 5.646 8.367 ( -0.449 -0.566 -4.809) 4.863 8.385 ( -1.863 -2.522 -5.732) 6.533 8.656 ( 1.203 1.310 3.971) 4.352 8.691 ( 0.881 -2.069 3.987) 4.577 9.043 ( 1.722 2.345 -4.056) 4.991 9.092 ( 2.137 -2.471 -3.741) 4.967======================= Grid point 206 (116/116) =======================q-point: (-0.12 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.809 ( 0.692 6.081 2.963) 6.800 1.853 ( 0.882 2.134 -0.561) 2.376 1.994 ( -0.883 7.598 4.297) 8.774 2.065 ( 2.253 -0.926 1.940) 3.114 2.127 ( -1.209 -0.522 4.741) 4.920 2.192 ( -0.236 -4.382 -1.041) 4.510 2.309 ( 2.057 4.194 7.014) 8.427 2.407 ( 3.991 -5.523 5.064) 8.489 2.600 ( -0.092 0.326 -6.706) 6.714 2.628 ( 0.767 -3.138 -2.449) 4.053 2.665 ( 0.073 -0.372 -5.012) 5.027 2.745 ( -0.172 -6.095 -5.244) 8.042 3.012 ( 2.088 1.036 -0.329) 2.354 3.059 ( -0.065 -3.188 -1.079) 3.366 3.375 ( 3.543 2.572 0.334) 4.391 3.416 ( 3.550 -1.627 -1.145) 4.070 3.587 ( 1.480 3.189 -1.803) 3.951 3.630 ( 0.630 -1.046 -2.170) 2.490 3.902 ( 0.255 4.731 1.953) 5.125 3.951 ( -0.733 -0.335 3.671) 3.759 4.086 ( -4.147 4.192 2.619) 6.452 4.181 ( -6.344 -3.849 2.925) 7.976 4.434 ( -2.106 1.115 0.026) 2.383 4.456 ( -0.978 -0.767 -2.174) 2.504 6.337 ( 1.838 3.670 -0.198) 4.109 6.392 ( 0.237 -0.915 -0.136) 0.955 6.599 ( -0.795 2.607 6.685) 7.219 6.640 ( 0.740 2.474 3.608) 4.437 6.708 ( 0.848 -1.719 1.629) 2.516 6.769 ( 2.335 -4.704 -0.307) 5.260 6.884 ( -1.296 4.271 1.865) 4.838 6.950 ( -1.264 -2.244 4.420) 5.115 7.119 ( 0.379 0.930 1.664) 1.943 7.130 ( 0.395 -0.072 2.837) 2.865 7.291 ( -0.824 5.561 -1.699) 5.873 7.367 ( -0.296 -1.462 -5.730) 5.921 7.516 ( 0.557 4.922 -0.446) 4.973 7.621 ( 1.274 -4.858 -5.945) 7.782 7.894 ( -2.390 2.598 1.607) 3.879 7.965 ( -2.643 -3.954 -0.581) 4.791 8.153 ( -0.241 2.113 3.018) 3.692 8.233 ( -1.070 -5.893 1.445) 6.161 8.346 ( -0.310 -0.466 -7.361) 7.382 8.355 ( 0.621 -1.310 -6.060) 6.232 8.723 ( 3.899 1.722 4.543) 6.230 8.755 ( 4.027 -1.364 4.389) 6.111 9.051 ( 0.206 2.775 -4.049) 4.913 9.101 ( -0.173 -2.216 -4.139) 4.698=================== 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 3/18816 10.0 1002.696 887.879 645.876 0.000 74.538 0.000 3/18816 20.0 90.758 99.989 71.432 0.000 2.849 0.000 3/18816 30.0 30.019 36.200 25.835 0.000 0.428 0.000 3/18816 40.0 16.682 21.152 15.064 0.000 0.157 0.000 3/18816 50.0 11.335 14.727 10.506 0.000 0.085 0.000 3/18816 60.0 8.481 11.142 7.994 0.000 0.053 0.000 3/18816 70.0 6.725 8.879 6.422 0.000 0.036 0.000 3/18816 80.0 5.550 7.343 5.360 0.000 0.025 0.000 3/18816 90.0 4.718 6.245 4.601 0.000 0.019 0.000 3/18816 100.0 4.101 5.429 4.036 0.000 0.014 0.000 3/18816 110.0 3.629 4.802 3.599 0.000 0.011 0.000 3/18816 120.0 3.256 4.305 3.251 0.000 0.009 0.000 3/18816 130.0 2.954 3.904 2.968 0.000 0.008 0.000 3/18816 140.0 2.705 3.573 2.733 0.000 0.006 0.000 3/18816 150.0 2.496 3.295 2.534 0.000 0.005 0.000 3/18816 160.0 2.318 3.058 2.363 0.000 0.005 0.000 3/18816 170.0 2.164 2.855 2.215 0.000 0.004 0.000 3/18816 180.0 2.031 2.677 2.085 0.000 0.004 0.000 3/18816 190.0 1.913 2.521 1.970 0.000 0.003 0.000 3/18816 200.0 1.809 2.383 1.867 0.000 0.003 0.000 3/18816 210.0 1.716 2.259 1.775 0.000 0.003 0.000 3/18816 220.0 1.632 2.148 1.692 0.000 0.002 0.000 3/18816 230.0 1.556 2.048 1.617 0.000 0.002 0.000 3/18816 240.0 1.487 1.957 1.548 0.000 0.002 0.000 3/18816 250.0 1.424 1.874 1.485 0.000 0.002 0.000 3/18816 260.0 1.367 1.798 1.427 0.000 0.002 0.000 3/18816 270.0 1.314 1.728 1.373 0.000 0.002 0.000 3/18816 280.0 1.265 1.663 1.323 0.000 0.002 0.000 3/18816 290.0 1.219 1.603 1.277 0.000 0.001 0.000 3/18816 300.0 1.177 1.547 1.234 0.000 0.001 0.000 3/18816 310.0 1.138 1.496 1.194 0.000 0.001 0.000 3/18816 320.0 1.101 1.447 1.156 0.000 0.001 0.000 3/18816 330.0 1.067 1.402 1.121 0.000 0.001 0.000 3/18816 340.0 1.035 1.359 1.088 0.000 0.001 0.000 3/18816 350.0 1.004 1.319 1.057 0.000 0.001 0.000 3/18816 360.0 0.976 1.282 1.027 0.000 0.001 0.000 3/18816 370.0 0.949 1.246 0.999 0.000 0.001 0.000 3/18816 380.0 0.923 1.212 0.973 0.000 0.001 0.000 3/18816 390.0 0.899 1.181 0.948 0.000 0.001 0.000 3/18816 400.0 0.876 1.150 0.924 0.000 0.001 0.000 3/18816 410.0 0.854 1.122 0.902 0.000 0.001 0.000 3/18816 420.0 0.834 1.094 0.880 0.000 0.001 0.000 3/18816 430.0 0.814 1.069 0.860 0.000 0.001 0.000 3/18816 440.0 0.795 1.044 0.840 0.000 0.001 0.000 3/18816 450.0 0.777 1.020 0.821 0.000 0.001 0.000 3/18816 460.0 0.760 0.998 0.804 0.000 0.001 0.000 3/18816 470.0 0.744 0.976 0.786 0.000 0.001 0.000 3/18816 480.0 0.728 0.956 0.770 0.000 0.001 0.000 3/18816 490.0 0.713 0.936 0.754 0.000 0.001 0.000 3/18816 500.0 0.698 0.917 0.739 0.000 0.001 0.000 3/18816 510.0 0.685 0.899 0.725 0.000 0.001 0.000 3/18816 520.0 0.671 0.881 0.711 0.000 0.001 0.000 3/18816 530.0 0.658 0.864 0.697 0.000 0.001 0.000 3/18816 540.0 0.646 0.848 0.685 0.000 0.001 0.000 3/18816 550.0 0.634 0.832 0.672 0.000 0.001 0.000 3/18816 560.0 0.623 0.817 0.660 0.000 0.001 0.000 3/18816 570.0 0.612 0.803 0.649 0.000 0.001 0.000 3/18816 580.0 0.601 0.789 0.637 0.000 0.001 0.000 3/18816 590.0 0.591 0.776 0.627 0.000 0.001 0.000 3/18816 600.0 0.581 0.762 0.616 0.000 0.001 0.000 3/18816 610.0 0.571 0.750 0.606 0.000 0.001 0.000 3/18816 620.0 0.562 0.738 0.596 0.000 0.001 0.000 3/18816 630.0 0.553 0.726 0.587 0.000 0.001 0.000 3/18816 640.0 0.545 0.714 0.578 0.000 0.000 0.000 3/18816 650.0 0.536 0.703 0.569 0.000 0.000 0.000 3/18816 660.0 0.528 0.693 0.560 0.000 0.000 0.000 3/18816 670.0 0.520 0.682 0.552 0.000 0.000 0.000 3/18816 680.0 0.512 0.672 0.544 0.000 0.000 0.000 3/18816 690.0 0.505 0.662 0.536 0.000 0.000 0.000 3/18816 700.0 0.498 0.653 0.528 0.000 0.000 0.000 3/18816 710.0 0.491 0.644 0.521 0.000 0.000 0.000 3/18816 720.0 0.484 0.635 0.514 0.000 0.000 0.000 3/18816 730.0 0.477 0.626 0.507 0.000 0.000 0.000 3/18816 740.0 0.471 0.617 0.500 0.000 0.000 0.000 3/18816 750.0 0.464 0.609 0.493 0.000 0.000 0.000 3/18816 760.0 0.458 0.601 0.487 0.000 0.000 0.000 3/18816 770.0 0.452 0.593 0.480 0.000 0.000 0.000 3/18816 780.0 0.446 0.586 0.474 0.000 0.000 0.000 3/18816 790.0 0.441 0.578 0.468 0.000 0.000 0.000 3/18816 800.0 0.435 0.571 0.462 0.000 0.000 0.000 3/18816 810.0 0.430 0.564 0.457 0.000 0.000 0.000 3/18816 820.0 0.424 0.557 0.451 0.000 0.000 0.000 3/18816 830.0 0.419 0.550 0.446 0.000 0.000 0.000 3/18816 840.0 0.414 0.544 0.440 0.000 0.000 0.000 3/18816 850.0 0.409 0.537 0.435 0.000 0.000 0.000 3/18816 860.0 0.405 0.531 0.430 0.000 0.000 0.000 3/18816 870.0 0.400 0.525 0.425 0.000 0.000 0.000 3/18816 880.0 0.395 0.519 0.420 0.000 0.000 0.000 3/18816 890.0 0.391 0.513 0.416 0.000 0.000 0.000 3/18816 900.0 0.387 0.507 0.411 0.000 0.000 0.000 3/18816 910.0 0.382 0.502 0.407 0.000 0.000 0.000 3/18816 920.0 0.378 0.496 0.402 0.000 0.000 0.000 3/18816 930.0 0.374 0.491 0.398 0.000 0.000 0.000 3/18816 940.0 0.370 0.486 0.394 0.000 0.000 0.000 3/18816 950.0 0.366 0.480 0.389 0.000 0.000 0.000 3/18816 960.0 0.362 0.475 0.385 0.000 0.000 0.000 3/18816 970.0 0.359 0.471 0.381 0.000 0.000 0.000 3/18816 980.0 0.355 0.466 0.378 0.000 0.000 0.000 3/18816 990.0 0.351 0.461 0.374 0.000 0.000 0.000 3/18816 1000.0 0.348 0.456 0.370 0.000 0.000 0.000 3/18816Thermal conductivity related properties were written into "kappa-m877.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 20:32:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | 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